data_18415 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18415 _Entry.Title ; Solution structure of human C-type lectin domain family 4 member D ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-23 _Entry.Accession_date 2012-04-23 _Entry.Last_release_date 2012-05-22 _Entry.Original_release_date 2012-05-22 _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 NMR' _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 R. Harris . . . 18415 2 J. Gaudette . . . 18415 3 A. Bandaranayake . D. . 18415 4 R. Banu . . . 18415 5 J. Bonanno . B. . 18415 6 D. Calarese . A. . 18415 7 A. Celikgil . . . 18415 8 S. Chamala . . . 18415 9 M. Chan . K. . 18415 10 R. Chaparro . . . 18415 11 B. Evans . . . 18415 12 S. Garforth . . . 18415 13 A. Gizzi . . . 18415 14 B. Hillerich . . . 18415 15 A. Kar . . . 18415 16 J. Lafleur . . . 18415 17 S. Lim . . . 18415 18 J. Love . . . 18415 19 B. Matikainen . . . 18415 20 H. Patel . . . 18415 21 R. Seidel . D. . 18415 22 B. Smith . . . 18415 23 M. Stead . . . 18415 24 M. Girvin . E. . 18415 25 S. Almo . C. . 18415 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 'PSI, Protein Structure Initiative' 'New York Structural Genomics Research Consortium' . 18415 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'C-type lectin' . 18415 'New York Structural Genomics Research Consortium' . 18415 'STRUCTURAL GENOMICS' . 18415 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18415 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 673 18415 '15N chemical shifts' 169 18415 '1H chemical shifts' 1047 18415 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-05-22 2012-04-23 original author . 18415 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LS8 'BMRB Entry Tracking System' 18415 TargetDB NYSGRC-020344 . 18415 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18415 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of human C-type lectin domain family 4 member D' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 R. Harris . . . 18415 1 2 J. Gaudette . . . 18415 1 3 A. Bandaranayake . D. . 18415 1 4 R. Banu . . . 18415 1 5 J. Bonanno . B. . 18415 1 6 D. Calarese . A. . 18415 1 7 A. Celikgil . . . 18415 1 8 S. Chamala . . . 18415 1 9 M. Chan . K. . 18415 1 10 R. Chaparro . . . 18415 1 11 B. Evans . . . 18415 1 12 S. Garforth . . . 18415 1 13 A. Gizzi . . . 18415 1 14 B. Hillerich . . . 18415 1 15 A. Kar . . . 18415 1 16 J. Lafleur . . . 18415 1 17 S. Lim . . . 18415 1 18 J. Love . . . 18415 1 19 B. Matikainen . . . 18415 1 20 H. Patel . . . 18415 1 21 R. Seidel . D. . 18415 1 22 B. Smith . . . 18415 1 23 M. Stead . . . 18415 1 24 M. Girvin . E. . 18415 1 25 S. Almo . C. . 18415 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18415 _Assembly.ID 1 _Assembly.Name 'human C-type lectin domain family 4 member D' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human C-type lectin domain family 4 member D' 1 $C-type_lectin A . yes native no no . . . 18415 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 C-type_lectin 1 CYS 3 3 SG . 1 C-type_lectin 1 CYS 14 14 SG 1 C-type_lectin 3 CYS SG 1 C-type_lectin 14 CYS SG 18415 1 2 disulfide single . 1 C-type_lectin 1 CYS 31 31 SG . 1 C-type_lectin 1 CYS 126 126 SG 1 C-type_lectin 31 CYS SG 1 C-type_lectin 126 CYS SG 18415 1 3 disulfide single . 1 C-type_lectin 1 CYS 101 101 SG . 1 C-type_lectin 1 CYS 118 118 SG 1 C-type_lectin 101 CYS SG 1 C-type_lectin 118 CYS SG 18415 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C-type_lectin _Entity.Sf_category entity _Entity.Sf_framecode C-type_lectin _Entity.Entry_ID 18415 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name C-type_lectin _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 ; MVCPIDWRAFQSNCYFPLTD NKTWAESERNCSGMGAHLMT ISTEAEQNFIIQFLDRRLSY FLGLRDENAKGQWRWVDQTP FNPRRVFWHKNEPDNSQGEN CVVLVYNQDKWAWNDVPCNF EASRICKIPGTTLNAENLYF QSHHHHHHWSHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; expressed sequence start-stop 84-215 (156 aa incl tag) N-term cloning artifact MV- C-term cloning artifact -AENLYFQSHHHHHHWSHPQFEK Only residues 1-142 included in structure calculations ; _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18610.879 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LS8 . "Solution Structure Of Human C-Type Lectin Domain Family 4 Member D" . . . . . 100.00 156 100.00 100.00 2.03e-113 . . . . 18415 1 2 no PDB 3WHD . "C-type Lectin, Human Mcl" . . . . . 84.62 156 100.00 100.00 6.73e-94 . . . . 18415 1 3 no GB AAH32313 . "C-type lectin domain family 4, member D [Homo sapiens]" . . . . . 84.62 215 100.00 100.00 8.34e-94 . . . . 18415 1 4 no GB AAL37713 . "C-type lectin-like receptor CLEC-6 [Homo sapiens]" . . . . . 84.62 215 100.00 100.00 8.81e-94 . . . . 18415 1 5 no GB AAM75389 . "C-type lectin-like receptor 6 [Homo sapiens]" . . . . . 84.62 215 100.00 100.00 8.81e-94 . . . . 18415 1 6 no GB AAQ63173 . "C-type calcium dependent carbohydrate recognition domain lectin superfamily member 8 [Homo sapiens]" . . . . . 84.62 215 100.00 100.00 8.34e-94 . . . . 18415 1 7 no GB AAS59161 . "C-type lectin variant 1 [Homo sapiens]" . . . . . 84.62 215 100.00 100.00 8.34e-94 . . . . 18415 1 8 no REF NP_525126 . "C-type lectin domain family 4 member D [Homo sapiens]" . . . . . 84.62 215 100.00 100.00 8.34e-94 . . . . 18415 1 9 no REF XP_001134875 . "PREDICTED: C-type lectin domain family 4 member D [Pan troglodytes]" . . . . . 84.62 215 97.73 98.48 9.06e-92 . . . . 18415 1 10 no REF XP_003265492 . "PREDICTED: C-type lectin domain family 4 member D [Nomascus leucogenys]" . . . . . 84.62 215 98.48 98.48 6.97e-92 . . . . 18415 1 11 no REF XP_003808712 . "PREDICTED: C-type lectin domain family 4 member D [Pan paniscus]" . . . . . 84.62 215 99.24 99.24 6.48e-93 . . . . 18415 1 12 no REF XP_004052704 . "PREDICTED: C-type lectin domain family 4 member D [Gorilla gorilla gorilla]" . . . . . 84.62 215 100.00 100.00 5.28e-94 . . . . 18415 1 13 no SP Q8WXI8 . "RecName: Full=C-type lectin domain family 4 member D; AltName: Full=C-type lectin superfamily member 8; AltName: Full=C-type le" . . . . . 84.62 215 100.00 100.00 8.34e-94 . . . . 18415 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 . MET . 18415 1 2 . VAL . 18415 1 3 . CYS . 18415 1 4 . PRO . 18415 1 5 . ILE . 18415 1 6 . ASP . 18415 1 7 . TRP . 18415 1 8 . ARG . 18415 1 9 . ALA . 18415 1 10 . PHE . 18415 1 11 . GLN . 18415 1 12 . SER . 18415 1 13 . ASN . 18415 1 14 . CYS . 18415 1 15 . TYR . 18415 1 16 . PHE . 18415 1 17 . PRO . 18415 1 18 . LEU . 18415 1 19 . THR . 18415 1 20 . ASP . 18415 1 21 . ASN . 18415 1 22 . LYS . 18415 1 23 . THR . 18415 1 24 . TRP . 18415 1 25 . ALA . 18415 1 26 . GLU . 18415 1 27 . SER . 18415 1 28 . GLU . 18415 1 29 . ARG . 18415 1 30 . ASN . 18415 1 31 . CYS . 18415 1 32 . SER . 18415 1 33 . GLY . 18415 1 34 . MET . 18415 1 35 . GLY . 18415 1 36 . ALA . 18415 1 37 . HIS . 18415 1 38 . LEU . 18415 1 39 . MET . 18415 1 40 . THR . 18415 1 41 . ILE . 18415 1 42 . SER . 18415 1 43 . THR . 18415 1 44 . GLU . 18415 1 45 . ALA . 18415 1 46 . GLU . 18415 1 47 . GLN . 18415 1 48 . ASN . 18415 1 49 . PHE . 18415 1 50 . ILE . 18415 1 51 . ILE . 18415 1 52 . GLN . 18415 1 53 . PHE . 18415 1 54 . LEU . 18415 1 55 . ASP . 18415 1 56 . ARG . 18415 1 57 . ARG . 18415 1 58 . LEU . 18415 1 59 . SER . 18415 1 60 . TYR . 18415 1 61 . PHE . 18415 1 62 . LEU . 18415 1 63 . GLY . 18415 1 64 . LEU . 18415 1 65 . ARG . 18415 1 66 . ASP . 18415 1 67 . GLU . 18415 1 68 . ASN . 18415 1 69 . ALA . 18415 1 70 . LYS . 18415 1 71 . GLY . 18415 1 72 . GLN . 18415 1 73 . TRP . 18415 1 74 . ARG . 18415 1 75 . TRP . 18415 1 76 . VAL . 18415 1 77 . ASP . 18415 1 78 . GLN . 18415 1 79 . THR . 18415 1 80 . PRO . 18415 1 81 . PHE . 18415 1 82 . ASN . 18415 1 83 . PRO . 18415 1 84 . ARG . 18415 1 85 . ARG . 18415 1 86 . VAL . 18415 1 87 . PHE . 18415 1 88 . TRP . 18415 1 89 . HIS . 18415 1 90 . LYS . 18415 1 91 . ASN . 18415 1 92 . GLU . 18415 1 93 . PRO . 18415 1 94 . ASP . 18415 1 95 . ASN . 18415 1 96 . SER . 18415 1 97 . GLN . 18415 1 98 . GLY . 18415 1 99 . GLU . 18415 1 100 . ASN . 18415 1 101 . CYS . 18415 1 102 . VAL . 18415 1 103 . VAL . 18415 1 104 . LEU . 18415 1 105 . VAL . 18415 1 106 . TYR . 18415 1 107 . ASN . 18415 1 108 . GLN . 18415 1 109 . ASP . 18415 1 110 . LYS . 18415 1 111 . TRP . 18415 1 112 . ALA . 18415 1 113 . TRP . 18415 1 114 . ASN . 18415 1 115 . ASP . 18415 1 116 . VAL . 18415 1 117 . PRO . 18415 1 118 . CYS . 18415 1 119 . ASN . 18415 1 120 . PHE . 18415 1 121 . GLU . 18415 1 122 . ALA . 18415 1 123 . SER . 18415 1 124 . ARG . 18415 1 125 . ILE . 18415 1 126 . CYS . 18415 1 127 . LYS . 18415 1 128 . ILE . 18415 1 129 . PRO . 18415 1 130 . GLY . 18415 1 131 . THR . 18415 1 132 . THR . 18415 1 133 . LEU . 18415 1 134 . ASN . 18415 1 135 . ALA . 18415 1 136 . GLU . 18415 1 137 . ASN . 18415 1 138 . LEU . 18415 1 139 . TYR . 18415 1 140 . PHE . 18415 1 141 . GLN . 18415 1 142 . SER . 18415 1 143 . HIS . 18415 1 144 . HIS . 18415 1 145 . HIS . 18415 1 146 . HIS . 18415 1 147 . HIS . 18415 1 148 . HIS . 18415 1 149 . TRP . 18415 1 150 . SER . 18415 1 151 . HIS . 18415 1 152 . PRO . 18415 1 153 . GLN . 18415 1 154 . PHE . 18415 1 155 . GLU . 18415 1 156 . LYS . 18415 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18415 1 . VAL 2 2 18415 1 . CYS 3 3 18415 1 . PRO 4 4 18415 1 . ILE 5 5 18415 1 . ASP 6 6 18415 1 . TRP 7 7 18415 1 . ARG 8 8 18415 1 . ALA 9 9 18415 1 . PHE 10 10 18415 1 . GLN 11 11 18415 1 . SER 12 12 18415 1 . ASN 13 13 18415 1 . CYS 14 14 18415 1 . TYR 15 15 18415 1 . PHE 16 16 18415 1 . PRO 17 17 18415 1 . LEU 18 18 18415 1 . THR 19 19 18415 1 . ASP 20 20 18415 1 . ASN 21 21 18415 1 . LYS 22 22 18415 1 . THR 23 23 18415 1 . TRP 24 24 18415 1 . ALA 25 25 18415 1 . GLU 26 26 18415 1 . SER 27 27 18415 1 . GLU 28 28 18415 1 . ARG 29 29 18415 1 . ASN 30 30 18415 1 . CYS 31 31 18415 1 . SER 32 32 18415 1 . GLY 33 33 18415 1 . MET 34 34 18415 1 . GLY 35 35 18415 1 . ALA 36 36 18415 1 . HIS 37 37 18415 1 . LEU 38 38 18415 1 . MET 39 39 18415 1 . THR 40 40 18415 1 . ILE 41 41 18415 1 . SER 42 42 18415 1 . THR 43 43 18415 1 . GLU 44 44 18415 1 . ALA 45 45 18415 1 . GLU 46 46 18415 1 . GLN 47 47 18415 1 . ASN 48 48 18415 1 . PHE 49 49 18415 1 . ILE 50 50 18415 1 . ILE 51 51 18415 1 . GLN 52 52 18415 1 . PHE 53 53 18415 1 . LEU 54 54 18415 1 . ASP 55 55 18415 1 . ARG 56 56 18415 1 . ARG 57 57 18415 1 . LEU 58 58 18415 1 . SER 59 59 18415 1 . TYR 60 60 18415 1 . PHE 61 61 18415 1 . LEU 62 62 18415 1 . GLY 63 63 18415 1 . LEU 64 64 18415 1 . ARG 65 65 18415 1 . ASP 66 66 18415 1 . GLU 67 67 18415 1 . ASN 68 68 18415 1 . ALA 69 69 18415 1 . LYS 70 70 18415 1 . GLY 71 71 18415 1 . GLN 72 72 18415 1 . TRP 73 73 18415 1 . ARG 74 74 18415 1 . TRP 75 75 18415 1 . VAL 76 76 18415 1 . ASP 77 77 18415 1 . GLN 78 78 18415 1 . THR 79 79 18415 1 . PRO 80 80 18415 1 . PHE 81 81 18415 1 . ASN 82 82 18415 1 . PRO 83 83 18415 1 . ARG 84 84 18415 1 . ARG 85 85 18415 1 . VAL 86 86 18415 1 . PHE 87 87 18415 1 . TRP 88 88 18415 1 . HIS 89 89 18415 1 . LYS 90 90 18415 1 . ASN 91 91 18415 1 . GLU 92 92 18415 1 . PRO 93 93 18415 1 . ASP 94 94 18415 1 . ASN 95 95 18415 1 . SER 96 96 18415 1 . GLN 97 97 18415 1 . GLY 98 98 18415 1 . GLU 99 99 18415 1 . ASN 100 100 18415 1 . CYS 101 101 18415 1 . VAL 102 102 18415 1 . VAL 103 103 18415 1 . LEU 104 104 18415 1 . VAL 105 105 18415 1 . TYR 106 106 18415 1 . ASN 107 107 18415 1 . GLN 108 108 18415 1 . ASP 109 109 18415 1 . LYS 110 110 18415 1 . TRP 111 111 18415 1 . ALA 112 112 18415 1 . TRP 113 113 18415 1 . ASN 114 114 18415 1 . ASP 115 115 18415 1 . VAL 116 116 18415 1 . PRO 117 117 18415 1 . CYS 118 118 18415 1 . ASN 119 119 18415 1 . PHE 120 120 18415 1 . GLU 121 121 18415 1 . ALA 122 122 18415 1 . SER 123 123 18415 1 . ARG 124 124 18415 1 . ILE 125 125 18415 1 . CYS 126 126 18415 1 . LYS 127 127 18415 1 . ILE 128 128 18415 1 . PRO 129 129 18415 1 . GLY 130 130 18415 1 . THR 131 131 18415 1 . THR 132 132 18415 1 . LEU 133 133 18415 1 . ASN 134 134 18415 1 . ALA 135 135 18415 1 . GLU 136 136 18415 1 . ASN 137 137 18415 1 . LEU 138 138 18415 1 . TYR 139 139 18415 1 . PHE 140 140 18415 1 . GLN 141 141 18415 1 . SER 142 142 18415 1 . HIS 143 143 18415 1 . HIS 144 144 18415 1 . HIS 145 145 18415 1 . HIS 146 146 18415 1 . HIS 147 147 18415 1 . HIS 148 148 18415 1 . TRP 149 149 18415 1 . SER 150 150 18415 1 . HIS 151 151 18415 1 . PRO 152 152 18415 1 . GLN 153 153 18415 1 . PHE 154 154 18415 1 . GLU 155 155 18415 1 . LYS 156 156 18415 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18415 _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 $C-type_lectin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . CLEC4D . . . . 18415 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 18415 _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 $C-type_lectin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pET . . 'modified pET23a' . . . . . . 18415 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18415 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10mM Na acetate buffer, pH 4.5, 0.1mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-type lectin' '[U-13C; U-15N]' . . 1 $C-type_lectin . . 1 . . mM . . . . 18415 1 2 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 18415 1 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18415 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18415 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18415 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18415 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10mM Na acetate buffer, pH 4.5, 0.1mM EDTA' _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 'C-type lectin' '[U-13C; U-15N]' . . 1 $C-type_lectin . . 1 . . mM . . . . 18415 2 2 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 18415 2 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 18415 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18415 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18415 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 18415 1 pH 4.5 . pH 18415 1 pressure 1 . atm 18415 1 temperature 303 . K 18415 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 18415 _Software.ID 1 _Software.Name CCPN _Software.Version 2.1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18415 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18415 1 'peak picking' 18415 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18415 _Software.ID 2 _Software.Name CNS _Software.Version 1.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18415 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18415 2 'structure solution' 18415 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18415 _Software.ID 3 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18415 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18415 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18415 _Software.ID 4 _Software.Name NMRPipe _Software.Version 5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18415 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18415 4 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18415 _Software.ID 5 _Software.Name VNMRJ _Software.Version 2.2D _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18415 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18415 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18415 _Software.ID 6 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18415 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18415 6 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 18415 _Software.ID 7 _Software.Name MDDNMR _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDNMR) Orekhov, Jaravine, Kazimierczuk' . . 18415 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18415 7 processing 18415 7 stop_ save_ save_MDDGUI _Software.Sf_category software _Software.Sf_framecode MDDGUI _Software.Entry_ID 18415 _Software.ID 8 _Software.Name MDDGUI _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDGUI) Lemak, Gutmanas, Chitayat, Karra, Fares, Sunnerhagen, Arrowsmith' . . 18415 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18415 8 processing 18415 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18415 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18415 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18415 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . . . 18415 1 2 spectrometer_2 Bruker Avance . 800 . . . 18415 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 18415 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18415 1 2 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18415 1 3 '13C CT-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18415 1 4 'aromatic 13C CT-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18415 1 5 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18415 1 6 '13C aromatic NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18415 1 7 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18415 1 8 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18415 1 9 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18415 1 10 HNCOCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18415 1 11 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18415 1 12 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18415 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18415 _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 na indirect 0.251449530 . . . . . . . . . 18415 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18415 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18415 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18415 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N HSQC' . . . 18415 1 3 '13C CT-HSQC' . . . 18415 1 4 'aromatic 13C CT-HSQC' . . . 18415 1 7 HNCO . . . 18415 1 8 HNCACO . . . 18415 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 1.931 0.004 . 1 . . . A 1 MET HE1 . 18415 1 2 . 1 1 1 1 MET HE2 H 1 1.931 0.004 . 1 . . . A 1 MET HE2 . 18415 1 3 . 1 1 1 1 MET HE3 H 1 1.931 0.004 . 1 . . . A 1 MET HE3 . 18415 1 4 . 1 1 1 1 MET CE C 13 17.802 0.000 . 1 . . . A 1 MET CE . 18415 1 5 . 1 1 2 2 VAL HA H 1 3.787 0.002 . 1 . . . A 2 VAL HA . 18415 1 6 . 1 1 2 2 VAL HB H 1 2.153 0.005 . 1 . . . A 2 VAL HB . 18415 1 7 . 1 1 2 2 VAL HG11 H 1 0.939 0.004 . 2 . . . A 2 VAL HG11 . 18415 1 8 . 1 1 2 2 VAL HG12 H 1 0.939 0.004 . 2 . . . A 2 VAL HG12 . 18415 1 9 . 1 1 2 2 VAL HG13 H 1 0.939 0.004 . 2 . . . A 2 VAL HG13 . 18415 1 10 . 1 1 2 2 VAL HG21 H 1 0.939 0.004 . 2 . . . A 2 VAL HG21 . 18415 1 11 . 1 1 2 2 VAL HG22 H 1 0.939 0.004 . 2 . . . A 2 VAL HG22 . 18415 1 12 . 1 1 2 2 VAL HG23 H 1 0.939 0.004 . 2 . . . A 2 VAL HG23 . 18415 1 13 . 1 1 2 2 VAL C C 13 172.250 0.000 . 1 . . . A 2 VAL C . 18415 1 14 . 1 1 2 2 VAL CA C 13 61.294 0.007 . 1 . . . A 2 VAL CA . 18415 1 15 . 1 1 2 2 VAL CB C 13 33.708 0.017 . 1 . . . A 2 VAL CB . 18415 1 16 . 1 1 2 2 VAL CG1 C 13 19.855 0.001 . 2 . . . A 2 VAL CG1 . 18415 1 17 . 1 1 2 2 VAL CG2 C 13 20.422 0.254 . 2 . . . A 2 VAL CG2 . 18415 1 18 . 1 1 3 3 CYS H H 1 8.628 0.002 . 1 . . . A 3 CYS H . 18415 1 19 . 1 1 3 3 CYS HA H 1 5.205 0.002 . 1 . . . A 3 CYS HA . 18415 1 20 . 1 1 3 3 CYS HB2 H 1 2.932 0.010 . 2 . . . A 3 CYS HB2 . 18415 1 21 . 1 1 3 3 CYS HB3 H 1 2.703 0.003 . 2 . . . A 3 CYS HB3 . 18415 1 22 . 1 1 3 3 CYS C C 13 171.993 0.000 . 1 . . . A 3 CYS C . 18415 1 23 . 1 1 3 3 CYS CA C 13 52.044 0.019 . 1 . . . A 3 CYS CA . 18415 1 24 . 1 1 3 3 CYS CB C 13 39.461 0.012 . 1 . . . A 3 CYS CB . 18415 1 25 . 1 1 3 3 CYS N N 15 121.988 0.027 . 1 . . . A 3 CYS N . 18415 1 26 . 1 1 4 4 PRO HG2 H 1 0.394 0.004 . 2 . . . A 4 PRO HG2 . 18415 1 27 . 1 1 4 4 PRO HG3 H 1 1.172 0.008 . 2 . . . A 4 PRO HG3 . 18415 1 28 . 1 1 4 4 PRO HD2 H 1 3.456 0.005 . 2 . . . A 4 PRO HD2 . 18415 1 29 . 1 1 4 4 PRO HD3 H 1 2.481 0.005 . 2 . . . A 4 PRO HD3 . 18415 1 30 . 1 1 4 4 PRO CG C 13 27.122 0.030 . 1 . . . A 4 PRO CG . 18415 1 31 . 1 1 4 4 PRO CD C 13 50.111 0.015 . 1 . . . A 4 PRO CD . 18415 1 32 . 1 1 5 5 ILE HA H 1 3.823 0.004 . 1 . . . A 5 ILE HA . 18415 1 33 . 1 1 5 5 ILE HB H 1 1.749 0.004 . 1 . . . A 5 ILE HB . 18415 1 34 . 1 1 5 5 ILE HG12 H 1 1.567 0.004 . 2 . . . A 5 ILE HG12 . 18415 1 35 . 1 1 5 5 ILE HG13 H 1 1.273 0.001 . 2 . . . A 5 ILE HG13 . 18415 1 36 . 1 1 5 5 ILE HG21 H 1 0.941 0.005 . 1 . . . A 5 ILE HG21 . 18415 1 37 . 1 1 5 5 ILE HG22 H 1 0.941 0.005 . 1 . . . A 5 ILE HG22 . 18415 1 38 . 1 1 5 5 ILE HG23 H 1 0.941 0.005 . 1 . . . A 5 ILE HG23 . 18415 1 39 . 1 1 5 5 ILE HD11 H 1 0.890 0.002 . 1 . . . A 5 ILE HD11 . 18415 1 40 . 1 1 5 5 ILE HD12 H 1 0.890 0.002 . 1 . . . A 5 ILE HD12 . 18415 1 41 . 1 1 5 5 ILE HD13 H 1 0.890 0.002 . 1 . . . A 5 ILE HD13 . 18415 1 42 . 1 1 5 5 ILE C C 13 176.622 0.000 . 1 . . . A 5 ILE C . 18415 1 43 . 1 1 5 5 ILE CA C 13 63.300 0.004 . 1 . . . A 5 ILE CA . 18415 1 44 . 1 1 5 5 ILE CB C 13 38.044 0.007 . 1 . . . A 5 ILE CB . 18415 1 45 . 1 1 5 5 ILE CG1 C 13 28.542 0.020 . 1 . . . A 5 ILE CG1 . 18415 1 46 . 1 1 5 5 ILE CG2 C 13 17.233 0.003 . 1 . . . A 5 ILE CG2 . 18415 1 47 . 1 1 5 5 ILE CD1 C 13 13.077 0.009 . 1 . . . A 5 ILE CD1 . 18415 1 48 . 1 1 6 6 ASP H H 1 8.606 0.004 . 1 . . . A 6 ASP H . 18415 1 49 . 1 1 6 6 ASP HA H 1 4.344 0.005 . 1 . . . A 6 ASP HA . 18415 1 50 . 1 1 6 6 ASP HB2 H 1 2.905 0.003 . 1 . . . A 6 ASP HB2 . 18415 1 51 . 1 1 6 6 ASP HB3 H 1 2.905 0.003 . 1 . . . A 6 ASP HB3 . 18415 1 52 . 1 1 6 6 ASP N N 15 117.894 0.047 . 1 . . . A 6 ASP N . 18415 1 53 . 1 1 7 7 TRP H H 1 8.208 0.003 . 1 . . . A 7 TRP H . 18415 1 54 . 1 1 7 7 TRP HA H 1 4.690 0.008 . 1 . . . A 7 TRP HA . 18415 1 55 . 1 1 7 7 TRP HB2 H 1 3.090 0.005 . 2 . . . A 7 TRP HB2 . 18415 1 56 . 1 1 7 7 TRP HB3 H 1 3.155 0.007 . 2 . . . A 7 TRP HB3 . 18415 1 57 . 1 1 7 7 TRP HD1 H 1 7.122 0.005 . 1 . . . A 7 TRP HD1 . 18415 1 58 . 1 1 7 7 TRP HE1 H 1 9.701 0.001 . 1 . . . A 7 TRP HE1 . 18415 1 59 . 1 1 7 7 TRP HE3 H 1 7.023 0.010 . 1 . . . A 7 TRP HE3 . 18415 1 60 . 1 1 7 7 TRP HZ2 H 1 7.558 0.006 . 1 . . . A 7 TRP HZ2 . 18415 1 61 . 1 1 7 7 TRP HZ3 H 1 6.537 0.007 . 1 . . . A 7 TRP HZ3 . 18415 1 62 . 1 1 7 7 TRP HH2 H 1 6.552 0.007 . 1 . . . A 7 TRP HH2 . 18415 1 63 . 1 1 7 7 TRP C C 13 176.415 0.000 . 1 . . . A 7 TRP C . 18415 1 64 . 1 1 7 7 TRP CA C 13 58.038 0.014 . 1 . . . A 7 TRP CA . 18415 1 65 . 1 1 7 7 TRP CB C 13 28.771 0.000 . 1 . . . A 7 TRP CB . 18415 1 66 . 1 1 7 7 TRP CD1 C 13 128.418 0.044 . 1 . . . A 7 TRP CD1 . 18415 1 67 . 1 1 7 7 TRP CE3 C 13 119.988 0.074 . 1 . . . A 7 TRP CE3 . 18415 1 68 . 1 1 7 7 TRP CZ2 C 13 115.571 0.039 . 1 . . . A 7 TRP CZ2 . 18415 1 69 . 1 1 7 7 TRP CZ3 C 13 121.438 0.002 . 1 . . . A 7 TRP CZ3 . 18415 1 70 . 1 1 7 7 TRP CH2 C 13 122.575 0.064 . 1 . . . A 7 TRP CH2 . 18415 1 71 . 1 1 7 7 TRP N N 15 120.564 0.023 . 1 . . . A 7 TRP N . 18415 1 72 . 1 1 7 7 TRP NE1 N 15 132.289 0.025 . 1 . . . A 7 TRP NE1 . 18415 1 73 . 1 1 8 8 ARG H H 1 9.456 0.002 . 1 . . . A 8 ARG H . 18415 1 74 . 1 1 8 8 ARG HA H 1 4.686 0.003 . 1 . . . A 8 ARG HA . 18415 1 75 . 1 1 8 8 ARG HB2 H 1 1.796 0.010 . 1 . . . A 8 ARG HB2 . 18415 1 76 . 1 1 8 8 ARG HB3 H 1 1.798 0.009 . 1 . . . A 8 ARG HB3 . 18415 1 77 . 1 1 8 8 ARG HG2 H 1 0.621 0.005 . 2 . . . A 8 ARG HG2 . 18415 1 78 . 1 1 8 8 ARG HG3 H 1 1.445 0.005 . 2 . . . A 8 ARG HG3 . 18415 1 79 . 1 1 8 8 ARG HD2 H 1 2.533 0.002 . 2 . . . A 8 ARG HD2 . 18415 1 80 . 1 1 8 8 ARG HD3 H 1 2.223 0.003 . 2 . . . A 8 ARG HD3 . 18415 1 81 . 1 1 8 8 ARG HE H 1 6.841 0.002 . 1 . . . A 8 ARG HE . 18415 1 82 . 1 1 8 8 ARG C C 13 176.146 0.009 . 1 . . . A 8 ARG C . 18415 1 83 . 1 1 8 8 ARG CA C 13 53.941 0.018 . 1 . . . A 8 ARG CA . 18415 1 84 . 1 1 8 8 ARG CB C 13 31.563 0.027 . 1 . . . A 8 ARG CB . 18415 1 85 . 1 1 8 8 ARG CG C 13 25.733 0.020 . 1 . . . A 8 ARG CG . 18415 1 86 . 1 1 8 8 ARG CD C 13 42.154 0.021 . 1 . . . A 8 ARG CD . 18415 1 87 . 1 1 8 8 ARG N N 15 119.872 0.028 . 1 . . . A 8 ARG N . 18415 1 88 . 1 1 8 8 ARG NE N 15 85.412 0.007 . 1 . . . A 8 ARG NE . 18415 1 89 . 1 1 9 9 ALA H H 1 8.819 0.002 . 1 . . . A 9 ALA H . 18415 1 90 . 1 1 9 9 ALA HA H 1 5.391 0.006 . 1 . . . A 9 ALA HA . 18415 1 91 . 1 1 9 9 ALA HB1 H 1 1.482 0.003 . 1 . . . A 9 ALA HB1 . 18415 1 92 . 1 1 9 9 ALA HB2 H 1 1.482 0.003 . 1 . . . A 9 ALA HB2 . 18415 1 93 . 1 1 9 9 ALA HB3 H 1 1.482 0.003 . 1 . . . A 9 ALA HB3 . 18415 1 94 . 1 1 9 9 ALA C C 13 176.927 0.018 . 1 . . . A 9 ALA C . 18415 1 95 . 1 1 9 9 ALA CA C 13 52.010 0.016 . 1 . . . A 9 ALA CA . 18415 1 96 . 1 1 9 9 ALA CB C 13 22.663 0.041 . 1 . . . A 9 ALA CB . 18415 1 97 . 1 1 9 9 ALA N N 15 127.265 0.022 . 1 . . . A 9 ALA N . 18415 1 98 . 1 1 10 10 PHE H H 1 8.202 0.003 . 1 . . . A 10 PHE H . 18415 1 99 . 1 1 10 10 PHE HA H 1 4.194 0.005 . 1 . . . A 10 PHE HA . 18415 1 100 . 1 1 10 10 PHE HB2 H 1 2.167 0.016 . 2 . . . A 10 PHE HB2 . 18415 1 101 . 1 1 10 10 PHE HB3 H 1 1.234 0.008 . 2 . . . A 10 PHE HB3 . 18415 1 102 . 1 1 10 10 PHE HD1 H 1 6.923 0.009 . 3 . . . A 10 PHE HD1 . 18415 1 103 . 1 1 10 10 PHE HD2 H 1 6.923 0.009 . 3 . . . A 10 PHE HD2 . 18415 1 104 . 1 1 10 10 PHE HE1 H 1 7.068 0.005 . 3 . . . A 10 PHE HE1 . 18415 1 105 . 1 1 10 10 PHE HE2 H 1 7.068 0.005 . 3 . . . A 10 PHE HE2 . 18415 1 106 . 1 1 10 10 PHE HZ H 1 6.998 0.004 . 1 . . . A 10 PHE HZ . 18415 1 107 . 1 1 10 10 PHE C C 13 174.606 0.014 . 1 . . . A 10 PHE C . 18415 1 108 . 1 1 10 10 PHE CA C 13 58.526 0.057 . 1 . . . A 10 PHE CA . 18415 1 109 . 1 1 10 10 PHE CB C 13 40.861 0.045 . 1 . . . A 10 PHE CB . 18415 1 110 . 1 1 10 10 PHE CD1 C 13 132.059 0.030 . 3 . . . A 10 PHE CD1 . 18415 1 111 . 1 1 10 10 PHE CD2 C 13 132.059 0.030 . 3 . . . A 10 PHE CD2 . 18415 1 112 . 1 1 10 10 PHE CE1 C 13 130.719 0.005 . 3 . . . A 10 PHE CE1 . 18415 1 113 . 1 1 10 10 PHE CE2 C 13 130.719 0.005 . 3 . . . A 10 PHE CE2 . 18415 1 114 . 1 1 10 10 PHE CZ C 13 129.724 0.007 . 1 . . . A 10 PHE CZ . 18415 1 115 . 1 1 10 10 PHE N N 15 120.450 0.039 . 1 . . . A 10 PHE N . 18415 1 116 . 1 1 11 11 GLN H H 1 8.872 0.003 . 1 . . . A 11 GLN H . 18415 1 117 . 1 1 11 11 GLN HA H 1 3.461 0.003 . 1 . . . A 11 GLN HA . 18415 1 118 . 1 1 11 11 GLN HB2 H 1 1.825 0.003 . 2 . . . A 11 GLN HB2 . 18415 1 119 . 1 1 11 11 GLN HB3 H 1 1.558 0.020 . 2 . . . A 11 GLN HB3 . 18415 1 120 . 1 1 11 11 GLN HG2 H 1 1.480 0.002 . 2 . . . A 11 GLN HG2 . 18415 1 121 . 1 1 11 11 GLN HG3 H 1 0.845 0.005 . 2 . . . A 11 GLN HG3 . 18415 1 122 . 1 1 11 11 GLN HE21 H 1 6.973 0.002 . 1 . . . A 11 GLN HE21 . 18415 1 123 . 1 1 11 11 GLN HE22 H 1 6.578 0.001 . 1 . . . A 11 GLN HE22 . 18415 1 124 . 1 1 11 11 GLN C C 13 175.859 0.001 . 1 . . . A 11 GLN C . 18415 1 125 . 1 1 11 11 GLN CA C 13 57.252 0.009 . 1 . . . A 11 GLN CA . 18415 1 126 . 1 1 11 11 GLN CB C 13 25.962 0.055 . 1 . . . A 11 GLN CB . 18415 1 127 . 1 1 11 11 GLN CG C 13 33.417 0.036 . 1 . . . A 11 GLN CG . 18415 1 128 . 1 1 11 11 GLN N N 15 126.391 0.016 . 1 . . . A 11 GLN N . 18415 1 129 . 1 1 11 11 GLN NE2 N 15 110.595 0.025 . 1 . . . A 11 GLN NE2 . 18415 1 130 . 1 1 12 12 SER H H 1 8.189 0.002 . 1 . . . A 12 SER H . 18415 1 131 . 1 1 12 12 SER HA H 1 4.252 0.006 . 1 . . . A 12 SER HA . 18415 1 132 . 1 1 12 12 SER HB2 H 1 4.089 0.002 . 2 . . . A 12 SER HB2 . 18415 1 133 . 1 1 12 12 SER HB3 H 1 3.935 0.004 . 2 . . . A 12 SER HB3 . 18415 1 134 . 1 1 12 12 SER C C 13 173.339 0.000 . 1 . . . A 12 SER C . 18415 1 135 . 1 1 12 12 SER CA C 13 59.795 0.016 . 1 . . . A 12 SER CA . 18415 1 136 . 1 1 12 12 SER CB C 13 62.943 0.025 . 1 . . . A 12 SER CB . 18415 1 137 . 1 1 12 12 SER N N 15 113.087 0.034 . 1 . . . A 12 SER N . 18415 1 138 . 1 1 13 13 ASN H H 1 8.242 0.007 . 1 . . . A 13 ASN H . 18415 1 139 . 1 1 13 13 ASN HA H 1 5.256 0.002 . 1 . . . A 13 ASN HA . 18415 1 140 . 1 1 13 13 ASN HB2 H 1 3.059 0.004 . 2 . . . A 13 ASN HB2 . 18415 1 141 . 1 1 13 13 ASN HB3 H 1 2.096 0.012 . 2 . . . A 13 ASN HB3 . 18415 1 142 . 1 1 13 13 ASN HD21 H 1 7.470 0.004 . 1 . . . A 13 ASN HD21 . 18415 1 143 . 1 1 13 13 ASN HD22 H 1 7.055 0.012 . 1 . . . A 13 ASN HD22 . 18415 1 144 . 1 1 13 13 ASN C C 13 174.330 0.004 . 1 . . . A 13 ASN C . 18415 1 145 . 1 1 13 13 ASN CA C 13 52.342 0.017 . 1 . . . A 13 ASN CA . 18415 1 146 . 1 1 13 13 ASN CB C 13 43.458 0.037 . 1 . . . A 13 ASN CB . 18415 1 147 . 1 1 13 13 ASN N N 15 118.336 0.054 . 1 . . . A 13 ASN N . 18415 1 148 . 1 1 13 13 ASN ND2 N 15 115.647 0.055 . 1 . . . A 13 ASN ND2 . 18415 1 149 . 1 1 14 14 CYS H H 1 8.592 0.003 . 1 . . . A 14 CYS H . 18415 1 150 . 1 1 14 14 CYS HA H 1 5.861 0.005 . 1 . . . A 14 CYS HA . 18415 1 151 . 1 1 14 14 CYS HB2 H 1 2.978 0.020 . 2 . . . A 14 CYS HB2 . 18415 1 152 . 1 1 14 14 CYS HB3 H 1 2.920 0.013 . 2 . . . A 14 CYS HB3 . 18415 1 153 . 1 1 14 14 CYS C C 13 174.314 0.017 . 1 . . . A 14 CYS C . 18415 1 154 . 1 1 14 14 CYS CA C 13 53.685 0.011 . 1 . . . A 14 CYS CA . 18415 1 155 . 1 1 14 14 CYS CB C 13 44.019 0.009 . 1 . . . A 14 CYS CB . 18415 1 156 . 1 1 14 14 CYS N N 15 118.315 0.041 . 1 . . . A 14 CYS N . 18415 1 157 . 1 1 15 15 TYR H H 1 9.947 0.002 . 1 . . . A 15 TYR H . 18415 1 158 . 1 1 15 15 TYR HA H 1 5.777 0.004 . 1 . . . A 15 TYR HA . 18415 1 159 . 1 1 15 15 TYR HB2 H 1 2.897 0.007 . 2 . . . A 15 TYR HB2 . 18415 1 160 . 1 1 15 15 TYR HB3 H 1 2.761 0.010 . 2 . . . A 15 TYR HB3 . 18415 1 161 . 1 1 15 15 TYR HD1 H 1 7.378 0.009 . 3 . . . A 15 TYR HD1 . 18415 1 162 . 1 1 15 15 TYR HD2 H 1 7.378 0.009 . 3 . . . A 15 TYR HD2 . 18415 1 163 . 1 1 15 15 TYR HE1 H 1 7.009 0.008 . 3 . . . A 15 TYR HE1 . 18415 1 164 . 1 1 15 15 TYR HE2 H 1 7.009 0.008 . 3 . . . A 15 TYR HE2 . 18415 1 165 . 1 1 15 15 TYR C C 13 176.333 0.011 . 1 . . . A 15 TYR C . 18415 1 166 . 1 1 15 15 TYR CA C 13 57.616 0.013 . 1 . . . A 15 TYR CA . 18415 1 167 . 1 1 15 15 TYR CB C 13 44.583 0.036 . 1 . . . A 15 TYR CB . 18415 1 168 . 1 1 15 15 TYR CD1 C 13 133.624 0.020 . 3 . . . A 15 TYR CD1 . 18415 1 169 . 1 1 15 15 TYR CD2 C 13 133.624 0.020 . 3 . . . A 15 TYR CD2 . 18415 1 170 . 1 1 15 15 TYR CE1 C 13 118.468 0.053 . 3 . . . A 15 TYR CE1 . 18415 1 171 . 1 1 15 15 TYR CE2 C 13 118.468 0.053 . 3 . . . A 15 TYR CE2 . 18415 1 172 . 1 1 15 15 TYR N N 15 121.588 0.029 . 1 . . . A 15 TYR N . 18415 1 173 . 1 1 16 16 PHE H H 1 8.717 0.002 . 1 . . . A 16 PHE H . 18415 1 174 . 1 1 16 16 PHE HA H 1 4.911 0.004 . 1 . . . A 16 PHE HA . 18415 1 175 . 1 1 16 16 PHE HB2 H 1 1.620 0.008 . 2 . . . A 16 PHE HB2 . 18415 1 176 . 1 1 16 16 PHE HB3 H 1 0.495 0.009 . 2 . . . A 16 PHE HB3 . 18415 1 177 . 1 1 16 16 PHE HD1 H 1 6.323 0.005 . 3 . . . A 16 PHE HD1 . 18415 1 178 . 1 1 16 16 PHE HD2 H 1 6.323 0.005 . 3 . . . A 16 PHE HD2 . 18415 1 179 . 1 1 16 16 PHE HE1 H 1 7.079 0.009 . 3 . . . A 16 PHE HE1 . 18415 1 180 . 1 1 16 16 PHE HE2 H 1 7.079 0.009 . 3 . . . A 16 PHE HE2 . 18415 1 181 . 1 1 16 16 PHE HZ H 1 7.156 0.001 . 1 . . . A 16 PHE HZ . 18415 1 182 . 1 1 16 16 PHE C C 13 172.937 0.000 . 1 . . . A 16 PHE C . 18415 1 183 . 1 1 16 16 PHE CA C 13 53.398 0.042 . 1 . . . A 16 PHE CA . 18415 1 184 . 1 1 16 16 PHE CB C 13 40.070 0.019 . 1 . . . A 16 PHE CB . 18415 1 185 . 1 1 16 16 PHE CD1 C 13 130.271 0.068 . 3 . . . A 16 PHE CD1 . 18415 1 186 . 1 1 16 16 PHE CD2 C 13 130.271 0.068 . 3 . . . A 16 PHE CD2 . 18415 1 187 . 1 1 16 16 PHE CE1 C 13 131.076 0.051 . 3 . . . A 16 PHE CE1 . 18415 1 188 . 1 1 16 16 PHE CE2 C 13 131.076 0.051 . 3 . . . A 16 PHE CE2 . 18415 1 189 . 1 1 16 16 PHE CZ C 13 129.025 0.028 . 1 . . . A 16 PHE CZ . 18415 1 190 . 1 1 16 16 PHE N N 15 121.989 0.039 . 1 . . . A 16 PHE N . 18415 1 191 . 1 1 17 17 PRO HA H 1 5.116 0.004 . 1 . . . A 17 PRO HA . 18415 1 192 . 1 1 17 17 PRO HB2 H 1 2.008 0.005 . 2 . . . A 17 PRO HB2 . 18415 1 193 . 1 1 17 17 PRO HB3 H 1 1.812 0.006 . 2 . . . A 17 PRO HB3 . 18415 1 194 . 1 1 17 17 PRO HG2 H 1 2.069 0.005 . 2 . . . A 17 PRO HG2 . 18415 1 195 . 1 1 17 17 PRO HG3 H 1 1.482 0.007 . 2 . . . A 17 PRO HG3 . 18415 1 196 . 1 1 17 17 PRO HD2 H 1 3.706 0.006 . 2 . . . A 17 PRO HD2 . 18415 1 197 . 1 1 17 17 PRO HD3 H 1 3.295 0.003 . 2 . . . A 17 PRO HD3 . 18415 1 198 . 1 1 17 17 PRO C C 13 175.445 0.010 . 1 . . . A 17 PRO C . 18415 1 199 . 1 1 17 17 PRO CA C 13 61.488 0.012 . 1 . . . A 17 PRO CA . 18415 1 200 . 1 1 17 17 PRO CB C 13 31.991 0.026 . 1 . . . A 17 PRO CB . 18415 1 201 . 1 1 17 17 PRO CG C 13 27.576 0.001 . 1 . . . A 17 PRO CG . 18415 1 202 . 1 1 17 17 PRO CD C 13 50.696 0.027 . 1 . . . A 17 PRO CD . 18415 1 203 . 1 1 18 18 LEU H H 1 9.054 0.002 . 1 . . . A 18 LEU H . 18415 1 204 . 1 1 18 18 LEU HA H 1 4.681 0.004 . 1 . . . A 18 LEU HA . 18415 1 205 . 1 1 18 18 LEU HB2 H 1 1.510 0.009 . 2 . . . A 18 LEU HB2 . 18415 1 206 . 1 1 18 18 LEU HB3 H 1 1.413 0.008 . 2 . . . A 18 LEU HB3 . 18415 1 207 . 1 1 18 18 LEU HG H 1 1.032 0.011 . 1 . . . A 18 LEU HG . 18415 1 208 . 1 1 18 18 LEU HD11 H 1 0.777 0.006 . 2 . . . A 18 LEU HD11 . 18415 1 209 . 1 1 18 18 LEU HD12 H 1 0.777 0.006 . 2 . . . A 18 LEU HD12 . 18415 1 210 . 1 1 18 18 LEU HD13 H 1 0.777 0.006 . 2 . . . A 18 LEU HD13 . 18415 1 211 . 1 1 18 18 LEU HD21 H 1 0.593 0.004 . 2 . . . A 18 LEU HD21 . 18415 1 212 . 1 1 18 18 LEU HD22 H 1 0.593 0.004 . 2 . . . A 18 LEU HD22 . 18415 1 213 . 1 1 18 18 LEU HD23 H 1 0.593 0.004 . 2 . . . A 18 LEU HD23 . 18415 1 214 . 1 1 18 18 LEU C C 13 177.391 0.022 . 1 . . . A 18 LEU C . 18415 1 215 . 1 1 18 18 LEU CA C 13 55.360 0.024 . 1 . . . A 18 LEU CA . 18415 1 216 . 1 1 18 18 LEU CB C 13 45.482 0.035 . 1 . . . A 18 LEU CB . 18415 1 217 . 1 1 18 18 LEU CG C 13 26.892 0.023 . 1 . . . A 18 LEU CG . 18415 1 218 . 1 1 18 18 LEU CD1 C 13 27.331 0.035 . 2 . . . A 18 LEU CD1 . 18415 1 219 . 1 1 18 18 LEU CD2 C 13 24.643 0.006 . 2 . . . A 18 LEU CD2 . 18415 1 220 . 1 1 18 18 LEU N N 15 126.062 0.036 . 1 . . . A 18 LEU N . 18415 1 221 . 1 1 19 19 THR H H 1 8.303 0.002 . 1 . . . A 19 THR H . 18415 1 222 . 1 1 19 19 THR HA H 1 4.612 0.006 . 1 . . . A 19 THR HA . 18415 1 223 . 1 1 19 19 THR HB H 1 4.367 0.002 . 1 . . . A 19 THR HB . 18415 1 224 . 1 1 19 19 THR HG21 H 1 1.202 0.004 . 1 . . . A 19 THR HG21 . 18415 1 225 . 1 1 19 19 THR HG22 H 1 1.202 0.004 . 1 . . . A 19 THR HG22 . 18415 1 226 . 1 1 19 19 THR HG23 H 1 1.202 0.004 . 1 . . . A 19 THR HG23 . 18415 1 227 . 1 1 19 19 THR C C 13 175.613 0.016 . 1 . . . A 19 THR C . 18415 1 228 . 1 1 19 19 THR CA C 13 62.236 0.012 . 1 . . . A 19 THR CA . 18415 1 229 . 1 1 19 19 THR CB C 13 69.530 0.020 . 1 . . . A 19 THR CB . 18415 1 230 . 1 1 19 19 THR CG2 C 13 22.056 0.050 . 1 . . . A 19 THR CG2 . 18415 1 231 . 1 1 19 19 THR N N 15 109.256 0.028 . 1 . . . A 19 THR N . 18415 1 232 . 1 1 20 20 ASP H H 1 8.834 0.003 . 1 . . . A 20 ASP H . 18415 1 233 . 1 1 20 20 ASP HA H 1 4.457 0.001 . 1 . . . A 20 ASP HA . 18415 1 234 . 1 1 20 20 ASP HB2 H 1 2.614 0.010 . 2 . . . A 20 ASP HB2 . 18415 1 235 . 1 1 20 20 ASP HB3 H 1 2.580 0.010 . 2 . . . A 20 ASP HB3 . 18415 1 236 . 1 1 20 20 ASP C C 13 174.684 0.021 . 1 . . . A 20 ASP C . 18415 1 237 . 1 1 20 20 ASP CA C 13 53.118 0.016 . 1 . . . A 20 ASP CA . 18415 1 238 . 1 1 20 20 ASP CB C 13 40.069 0.009 . 1 . . . A 20 ASP CB . 18415 1 239 . 1 1 20 20 ASP N N 15 121.645 0.022 . 1 . . . A 20 ASP N . 18415 1 240 . 1 1 21 21 ASN H H 1 8.113 0.001 . 1 . . . A 21 ASN H . 18415 1 241 . 1 1 21 21 ASN HA H 1 4.646 0.005 . 1 . . . A 21 ASN HA . 18415 1 242 . 1 1 21 21 ASN HB2 H 1 2.332 0.020 . 2 . . . A 21 ASN HB2 . 18415 1 243 . 1 1 21 21 ASN HB3 H 1 2.575 0.011 . 2 . . . A 21 ASN HB3 . 18415 1 244 . 1 1 21 21 ASN HD21 H 1 6.641 0.001 . 1 . . . A 21 ASN HD21 . 18415 1 245 . 1 1 21 21 ASN HD22 H 1 7.147 0.003 . 1 . . . A 21 ASN HD22 . 18415 1 246 . 1 1 21 21 ASN C C 13 176.542 0.009 . 1 . . . A 21 ASN C . 18415 1 247 . 1 1 21 21 ASN CA C 13 53.452 0.055 . 1 . . . A 21 ASN CA . 18415 1 248 . 1 1 21 21 ASN CB C 13 39.453 0.023 . 1 . . . A 21 ASN CB . 18415 1 249 . 1 1 21 21 ASN N N 15 118.648 0.019 . 1 . . . A 21 ASN N . 18415 1 250 . 1 1 21 21 ASN ND2 N 15 109.817 0.022 . 1 . . . A 21 ASN ND2 . 18415 1 251 . 1 1 22 22 LYS H H 1 8.794 0.005 . 1 . . . A 22 LYS H . 18415 1 252 . 1 1 22 22 LYS HA H 1 4.856 0.004 . 1 . . . A 22 LYS HA . 18415 1 253 . 1 1 22 22 LYS HB2 H 1 2.018 0.016 . 2 . . . A 22 LYS HB2 . 18415 1 254 . 1 1 22 22 LYS HB3 H 1 1.959 0.007 . 2 . . . A 22 LYS HB3 . 18415 1 255 . 1 1 22 22 LYS HG2 H 1 1.580 0.008 . 2 . . . A 22 LYS HG2 . 18415 1 256 . 1 1 22 22 LYS HG3 H 1 1.383 0.008 . 2 . . . A 22 LYS HG3 . 18415 1 257 . 1 1 22 22 LYS HD2 H 1 1.456 0.006 . 2 . . . A 22 LYS HD2 . 18415 1 258 . 1 1 22 22 LYS HD3 H 1 1.204 0.003 . 2 . . . A 22 LYS HD3 . 18415 1 259 . 1 1 22 22 LYS HE2 H 1 3.057 0.010 . 2 . . . A 22 LYS HE2 . 18415 1 260 . 1 1 22 22 LYS HE3 H 1 2.907 0.006 . 2 . . . A 22 LYS HE3 . 18415 1 261 . 1 1 22 22 LYS C C 13 176.711 0.018 . 1 . . . A 22 LYS C . 18415 1 262 . 1 1 22 22 LYS CA C 13 55.665 0.012 . 1 . . . A 22 LYS CA . 18415 1 263 . 1 1 22 22 LYS CB C 13 39.539 0.012 . 1 . . . A 22 LYS CB . 18415 1 264 . 1 1 22 22 LYS CG C 13 26.575 0.050 . 1 . . . A 22 LYS CG . 18415 1 265 . 1 1 22 22 LYS CD C 13 30.185 0.036 . 1 . . . A 22 LYS CD . 18415 1 266 . 1 1 22 22 LYS CE C 13 42.295 0.005 . 1 . . . A 22 LYS CE . 18415 1 267 . 1 1 22 22 LYS N N 15 122.470 0.046 . 1 . . . A 22 LYS N . 18415 1 268 . 1 1 23 23 THR H H 1 8.250 0.002 . 1 . . . A 23 THR H . 18415 1 269 . 1 1 23 23 THR HA H 1 5.647 0.003 . 1 . . . A 23 THR HA . 18415 1 270 . 1 1 23 23 THR HB H 1 4.928 0.005 . 1 . . . A 23 THR HB . 18415 1 271 . 1 1 23 23 THR HG21 H 1 1.455 0.006 . 1 . . . A 23 THR HG21 . 18415 1 272 . 1 1 23 23 THR HG22 H 1 1.455 0.006 . 1 . . . A 23 THR HG22 . 18415 1 273 . 1 1 23 23 THR HG23 H 1 1.455 0.006 . 1 . . . A 23 THR HG23 . 18415 1 274 . 1 1 23 23 THR C C 13 178.411 0.019 . 1 . . . A 23 THR C . 18415 1 275 . 1 1 23 23 THR CA C 13 61.773 0.010 . 1 . . . A 23 THR CA . 18415 1 276 . 1 1 23 23 THR CB C 13 71.820 0.007 . 1 . . . A 23 THR CB . 18415 1 277 . 1 1 23 23 THR CG2 C 13 22.394 0.010 . 1 . . . A 23 THR CG2 . 18415 1 278 . 1 1 23 23 THR N N 15 109.009 0.027 . 1 . . . A 23 THR N . 18415 1 279 . 1 1 24 24 TRP H H 1 8.279 0.005 . 1 . . . A 24 TRP H . 18415 1 280 . 1 1 24 24 TRP HA H 1 3.030 0.007 . 1 . . . A 24 TRP HA . 18415 1 281 . 1 1 24 24 TRP HB2 H 1 3.159 0.009 . 2 . . . A 24 TRP HB2 . 18415 1 282 . 1 1 24 24 TRP HB3 H 1 2.403 0.011 . 2 . . . A 24 TRP HB3 . 18415 1 283 . 1 1 24 24 TRP HD1 H 1 6.898 0.004 . 1 . . . A 24 TRP HD1 . 18415 1 284 . 1 1 24 24 TRP HE1 H 1 10.116 0.002 . 1 . . . A 24 TRP HE1 . 18415 1 285 . 1 1 24 24 TRP HE3 H 1 7.175 0.000 . 1 . . . A 24 TRP HE3 . 18415 1 286 . 1 1 24 24 TRP HZ2 H 1 7.118 0.008 . 1 . . . A 24 TRP HZ2 . 18415 1 287 . 1 1 24 24 TRP HZ3 H 1 7.121 0.010 . 1 . . . A 24 TRP HZ3 . 18415 1 288 . 1 1 24 24 TRP HH2 H 1 7.093 0.006 . 1 . . . A 24 TRP HH2 . 18415 1 289 . 1 1 24 24 TRP C C 13 178.204 0.039 . 1 . . . A 24 TRP C . 18415 1 290 . 1 1 24 24 TRP CA C 13 64.581 0.039 . 1 . . . A 24 TRP CA . 18415 1 291 . 1 1 24 24 TRP CB C 13 30.654 0.039 . 1 . . . A 24 TRP CB . 18415 1 292 . 1 1 24 24 TRP CD1 C 13 127.070 0.039 . 1 . . . A 24 TRP CD1 . 18415 1 293 . 1 1 24 24 TRP CE3 C 13 120.465 0.018 . 1 . . . A 24 TRP CE3 . 18415 1 294 . 1 1 24 24 TRP CZ2 C 13 113.220 0.003 . 1 . . . A 24 TRP CZ2 . 18415 1 295 . 1 1 24 24 TRP CZ3 C 13 120.380 0.001 . 1 . . . A 24 TRP CZ3 . 18415 1 296 . 1 1 24 24 TRP CH2 C 13 124.353 0.021 . 1 . . . A 24 TRP CH2 . 18415 1 297 . 1 1 24 24 TRP N N 15 126.345 0.025 . 1 . . . A 24 TRP N . 18415 1 298 . 1 1 24 24 TRP NE1 N 15 129.070 0.017 . 1 . . . A 24 TRP NE1 . 18415 1 299 . 1 1 25 25 ALA H H 1 9.634 0.002 . 1 . . . A 25 ALA H . 18415 1 300 . 1 1 25 25 ALA HA H 1 3.948 0.002 . 1 . . . A 25 ALA HA . 18415 1 301 . 1 1 25 25 ALA HB1 H 1 1.597 0.004 . 1 . . . A 25 ALA HB1 . 18415 1 302 . 1 1 25 25 ALA HB2 H 1 1.597 0.004 . 1 . . . A 25 ALA HB2 . 18415 1 303 . 1 1 25 25 ALA HB3 H 1 1.597 0.004 . 1 . . . A 25 ALA HB3 . 18415 1 304 . 1 1 25 25 ALA C C 13 182.089 0.008 . 1 . . . A 25 ALA C . 18415 1 305 . 1 1 25 25 ALA CA C 13 55.890 0.024 . 1 . . . A 25 ALA CA . 18415 1 306 . 1 1 25 25 ALA CB C 13 18.255 0.021 . 1 . . . A 25 ALA CB . 18415 1 307 . 1 1 25 25 ALA N N 15 119.965 0.018 . 1 . . . A 25 ALA N . 18415 1 308 . 1 1 26 26 GLU H H 1 7.392 0.002 . 1 . . . A 26 GLU H . 18415 1 309 . 1 1 26 26 GLU HA H 1 4.063 0.009 . 1 . . . A 26 GLU HA . 18415 1 310 . 1 1 26 26 GLU HB2 H 1 2.211 0.014 . 2 . . . A 26 GLU HB2 . 18415 1 311 . 1 1 26 26 GLU HB3 H 1 2.048 0.011 . 2 . . . A 26 GLU HB3 . 18415 1 312 . 1 1 26 26 GLU HG2 H 1 2.470 0.005 . 2 . . . A 26 GLU HG2 . 18415 1 313 . 1 1 26 26 GLU HG3 H 1 2.247 0.012 . 2 . . . A 26 GLU HG3 . 18415 1 314 . 1 1 26 26 GLU C C 13 179.756 0.017 . 1 . . . A 26 GLU C . 18415 1 315 . 1 1 26 26 GLU CA C 13 58.295 0.010 . 1 . . . A 26 GLU CA . 18415 1 316 . 1 1 26 26 GLU CB C 13 30.483 0.018 . 1 . . . A 26 GLU CB . 18415 1 317 . 1 1 26 26 GLU CG C 13 36.873 0.030 . 1 . . . A 26 GLU CG . 18415 1 318 . 1 1 26 26 GLU N N 15 116.492 0.027 . 1 . . . A 26 GLU N . 18415 1 319 . 1 1 27 27 SER H H 1 8.596 0.002 . 1 . . . A 27 SER H . 18415 1 320 . 1 1 27 27 SER HA H 1 3.855 0.004 . 1 . . . A 27 SER HA . 18415 1 321 . 1 1 27 27 SER HB2 H 1 4.384 0.004 . 2 . . . A 27 SER HB2 . 18415 1 322 . 1 1 27 27 SER HB3 H 1 3.637 0.002 . 2 . . . A 27 SER HB3 . 18415 1 323 . 1 1 27 27 SER C C 13 174.299 0.017 . 1 . . . A 27 SER C . 18415 1 324 . 1 1 27 27 SER CA C 13 63.344 0.019 . 1 . . . A 27 SER CA . 18415 1 325 . 1 1 27 27 SER CB C 13 62.329 0.011 . 1 . . . A 27 SER CB . 18415 1 326 . 1 1 27 27 SER N N 15 121.197 0.060 . 1 . . . A 27 SER N . 18415 1 327 . 1 1 28 28 GLU H H 1 8.133 0.007 . 1 . . . A 28 GLU H . 18415 1 328 . 1 1 28 28 GLU HA H 1 4.268 0.006 . 1 . . . A 28 GLU HA . 18415 1 329 . 1 1 28 28 GLU HB2 H 1 1.171 0.024 . 1 . . . A 28 GLU HB2 . 18415 1 330 . 1 1 28 28 GLU HB3 H 1 1.171 0.024 . 1 . . . A 28 GLU HB3 . 18415 1 331 . 1 1 28 28 GLU HG2 H 1 2.222 0.008 . 1 . . . A 28 GLU HG2 . 18415 1 332 . 1 1 28 28 GLU HG3 H 1 2.222 0.008 . 1 . . . A 28 GLU HG3 . 18415 1 333 . 1 1 28 28 GLU C C 13 178.856 0.012 . 1 . . . A 28 GLU C . 18415 1 334 . 1 1 28 28 GLU CA C 13 58.199 0.025 . 1 . . . A 28 GLU CA . 18415 1 335 . 1 1 28 28 GLU CB C 13 26.900 0.023 . 1 . . . A 28 GLU CB . 18415 1 336 . 1 1 28 28 GLU CG C 13 34.168 0.002 . 1 . . . A 28 GLU CG . 18415 1 337 . 1 1 28 28 GLU N N 15 124.173 0.042 . 1 . . . A 28 GLU N . 18415 1 338 . 1 1 29 29 ARG H H 1 7.962 0.002 . 1 . . . A 29 ARG H . 18415 1 339 . 1 1 29 29 ARG HA H 1 4.043 0.003 . 1 . . . A 29 ARG HA . 18415 1 340 . 1 1 29 29 ARG HB2 H 1 1.867 0.004 . 1 . . . A 29 ARG HB2 . 18415 1 341 . 1 1 29 29 ARG HB3 H 1 1.867 0.004 . 1 . . . A 29 ARG HB3 . 18415 1 342 . 1 1 29 29 ARG HG2 H 1 1.760 0.003 . 2 . . . A 29 ARG HG2 . 18415 1 343 . 1 1 29 29 ARG HG3 H 1 1.595 0.002 . 2 . . . A 29 ARG HG3 . 18415 1 344 . 1 1 29 29 ARG HD2 H 1 3.235 0.004 . 1 . . . A 29 ARG HD2 . 18415 1 345 . 1 1 29 29 ARG HD3 H 1 3.235 0.004 . 1 . . . A 29 ARG HD3 . 18415 1 346 . 1 1 29 29 ARG HE H 1 7.554 0.002 . 1 . . . A 29 ARG HE . 18415 1 347 . 1 1 29 29 ARG C C 13 179.339 0.016 . 1 . . . A 29 ARG C . 18415 1 348 . 1 1 29 29 ARG CA C 13 59.691 0.008 . 1 . . . A 29 ARG CA . 18415 1 349 . 1 1 29 29 ARG CB C 13 30.235 0.009 . 1 . . . A 29 ARG CB . 18415 1 350 . 1 1 29 29 ARG CG C 13 27.902 0.009 . 1 . . . A 29 ARG CG . 18415 1 351 . 1 1 29 29 ARG CD C 13 43.088 0.068 . 1 . . . A 29 ARG CD . 18415 1 352 . 1 1 29 29 ARG N N 15 120.498 0.048 . 1 . . . A 29 ARG N . 18415 1 353 . 1 1 29 29 ARG NE N 15 84.277 0.017 . 1 . . . A 29 ARG NE . 18415 1 354 . 1 1 30 30 ASN H H 1 7.960 0.002 . 1 . . . A 30 ASN H . 18415 1 355 . 1 1 30 30 ASN HA H 1 4.447 0.006 . 1 . . . A 30 ASN HA . 18415 1 356 . 1 1 30 30 ASN HB2 H 1 2.861 0.003 . 2 . . . A 30 ASN HB2 . 18415 1 357 . 1 1 30 30 ASN HB3 H 1 2.674 0.008 . 2 . . . A 30 ASN HB3 . 18415 1 358 . 1 1 30 30 ASN HD21 H 1 7.942 0.002 . 1 . . . A 30 ASN HD21 . 18415 1 359 . 1 1 30 30 ASN HD22 H 1 7.185 0.002 . 1 . . . A 30 ASN HD22 . 18415 1 360 . 1 1 30 30 ASN C C 13 178.153 0.007 . 1 . . . A 30 ASN C . 18415 1 361 . 1 1 30 30 ASN CA C 13 57.650 0.018 . 1 . . . A 30 ASN CA . 18415 1 362 . 1 1 30 30 ASN CB C 13 40.436 0.032 . 1 . . . A 30 ASN CB . 18415 1 363 . 1 1 30 30 ASN N N 15 119.000 0.028 . 1 . . . A 30 ASN N . 18415 1 364 . 1 1 30 30 ASN ND2 N 15 112.360 0.031 . 1 . . . A 30 ASN ND2 . 18415 1 365 . 1 1 31 31 CYS H H 1 8.477 0.003 . 1 . . . A 31 CYS H . 18415 1 366 . 1 1 31 31 CYS HA H 1 4.481 0.007 . 1 . . . A 31 CYS HA . 18415 1 367 . 1 1 31 31 CYS HB2 H 1 2.628 0.007 . 2 . . . A 31 CYS HB2 . 18415 1 368 . 1 1 31 31 CYS HB3 H 1 2.508 0.004 . 2 . . . A 31 CYS HB3 . 18415 1 369 . 1 1 31 31 CYS C C 13 178.072 0.014 . 1 . . . A 31 CYS C . 18415 1 370 . 1 1 31 31 CYS CA C 13 56.410 0.016 . 1 . . . A 31 CYS CA . 18415 1 371 . 1 1 31 31 CYS CB C 13 34.709 0.013 . 1 . . . A 31 CYS CB . 18415 1 372 . 1 1 31 31 CYS N N 15 116.301 0.035 . 1 . . . A 31 CYS N . 18415 1 373 . 1 1 32 32 SER H H 1 9.206 0.002 . 1 . . . A 32 SER H . 18415 1 374 . 1 1 32 32 SER HA H 1 4.700 0.006 . 1 . . . A 32 SER HA . 18415 1 375 . 1 1 32 32 SER HB2 H 1 4.039 0.003 . 2 . . . A 32 SER HB2 . 18415 1 376 . 1 1 32 32 SER HB3 H 1 3.949 0.003 . 2 . . . A 32 SER HB3 . 18415 1 377 . 1 1 32 32 SER C C 13 179.062 0.000 . 1 . . . A 32 SER C . 18415 1 378 . 1 1 32 32 SER CA C 13 61.663 0.012 . 1 . . . A 32 SER CA . 18415 1 379 . 1 1 32 32 SER CB C 13 62.655 0.037 . 1 . . . A 32 SER CB . 18415 1 380 . 1 1 32 32 SER N N 15 119.834 0.014 . 1 . . . A 32 SER N . 18415 1 381 . 1 1 33 33 GLY H H 1 8.053 0.003 . 1 . . . A 33 GLY H . 18415 1 382 . 1 1 33 33 GLY HA2 H 1 4.071 0.012 . 1 . . . A 33 GLY HA2 . 18415 1 383 . 1 1 33 33 GLY HA3 H 1 4.071 0.012 . 1 . . . A 33 GLY HA3 . 18415 1 384 . 1 1 33 33 GLY C C 13 174.861 0.022 . 1 . . . A 33 GLY C . 18415 1 385 . 1 1 33 33 GLY CA C 13 46.667 0.025 . 1 . . . A 33 GLY CA . 18415 1 386 . 1 1 33 33 GLY N N 15 111.632 0.026 . 1 . . . A 33 GLY N . 18415 1 387 . 1 1 34 34 MET H H 1 7.441 0.002 . 1 . . . A 34 MET H . 18415 1 388 . 1 1 34 34 MET HA H 1 4.596 0.007 . 1 . . . A 34 MET HA . 18415 1 389 . 1 1 34 34 MET HB2 H 1 2.362 0.005 . 2 . . . A 34 MET HB2 . 18415 1 390 . 1 1 34 34 MET HB3 H 1 2.274 0.006 . 2 . . . A 34 MET HB3 . 18415 1 391 . 1 1 34 34 MET HG2 H 1 2.709 0.003 . 2 . . . A 34 MET HG2 . 18415 1 392 . 1 1 34 34 MET HG3 H 1 2.614 0.006 . 2 . . . A 34 MET HG3 . 18415 1 393 . 1 1 34 34 MET HE1 H 1 2.155 0.005 . 1 . . . A 34 MET HE1 . 18415 1 394 . 1 1 34 34 MET HE2 H 1 2.155 0.005 . 1 . . . A 34 MET HE2 . 18415 1 395 . 1 1 34 34 MET HE3 H 1 2.155 0.005 . 1 . . . A 34 MET HE3 . 18415 1 396 . 1 1 34 34 MET C C 13 175.356 0.004 . 1 . . . A 34 MET C . 18415 1 397 . 1 1 34 34 MET CA C 13 54.887 0.023 . 1 . . . A 34 MET CA . 18415 1 398 . 1 1 34 34 MET CB C 13 33.959 0.007 . 1 . . . A 34 MET CB . 18415 1 399 . 1 1 34 34 MET CG C 13 32.284 0.009 . 1 . . . A 34 MET CG . 18415 1 400 . 1 1 34 34 MET CE C 13 18.212 0.004 . 1 . . . A 34 MET CE . 18415 1 401 . 1 1 34 34 MET N N 15 116.998 0.029 . 1 . . . A 34 MET N . 18415 1 402 . 1 1 35 35 GLY H H 1 7.807 0.003 . 1 . . . A 35 GLY H . 18415 1 403 . 1 1 35 35 GLY HA2 H 1 3.957 0.008 . 2 . . . A 35 GLY HA2 . 18415 1 404 . 1 1 35 35 GLY HA3 H 1 3.675 0.004 . 2 . . . A 35 GLY HA3 . 18415 1 405 . 1 1 35 35 GLY C C 13 173.112 0.000 . 1 . . . A 35 GLY C . 18415 1 406 . 1 1 35 35 GLY CA C 13 45.401 0.031 . 1 . . . A 35 GLY CA . 18415 1 407 . 1 1 35 35 GLY N N 15 106.474 0.039 . 1 . . . A 35 GLY N . 18415 1 408 . 1 1 36 36 ALA H H 1 7.693 0.002 . 1 . . . A 36 ALA H . 18415 1 409 . 1 1 36 36 ALA HA H 1 4.702 0.002 . 1 . . . A 36 ALA HA . 18415 1 410 . 1 1 36 36 ALA HB1 H 1 1.517 0.006 . 1 . . . A 36 ALA HB1 . 18415 1 411 . 1 1 36 36 ALA HB2 H 1 1.517 0.006 . 1 . . . A 36 ALA HB2 . 18415 1 412 . 1 1 36 36 ALA HB3 H 1 1.517 0.006 . 1 . . . A 36 ALA HB3 . 18415 1 413 . 1 1 36 36 ALA C C 13 174.285 0.010 . 1 . . . A 36 ALA C . 18415 1 414 . 1 1 36 36 ALA CA C 13 49.721 0.012 . 1 . . . A 36 ALA CA . 18415 1 415 . 1 1 36 36 ALA CB C 13 24.662 0.012 . 1 . . . A 36 ALA CB . 18415 1 416 . 1 1 36 36 ALA N N 15 121.833 0.018 . 1 . . . A 36 ALA N . 18415 1 417 . 1 1 37 37 HIS H H 1 8.078 0.003 . 1 . . . A 37 HIS H . 18415 1 418 . 1 1 37 37 HIS HA H 1 5.131 0.004 . 1 . . . A 37 HIS HA . 18415 1 419 . 1 1 37 37 HIS HB2 H 1 3.423 0.011 . 2 . . . A 37 HIS HB2 . 18415 1 420 . 1 1 37 37 HIS HB3 H 1 3.185 0.011 . 2 . . . A 37 HIS HB3 . 18415 1 421 . 1 1 37 37 HIS HD2 H 1 7.417 0.004 . 1 . . . A 37 HIS HD2 . 18415 1 422 . 1 1 37 37 HIS HE1 H 1 8.433 0.003 . 1 . . . A 37 HIS HE1 . 18415 1 423 . 1 1 37 37 HIS C C 13 175.351 0.012 . 1 . . . A 37 HIS C . 18415 1 424 . 1 1 37 37 HIS CA C 13 54.573 0.014 . 1 . . . A 37 HIS CA . 18415 1 425 . 1 1 37 37 HIS CB C 13 34.971 0.049 . 1 . . . A 37 HIS CB . 18415 1 426 . 1 1 37 37 HIS CD2 C 13 119.955 0.058 . 1 . . . A 37 HIS CD2 . 18415 1 427 . 1 1 37 37 HIS CE1 C 13 137.224 0.015 . 1 . . . A 37 HIS CE1 . 18415 1 428 . 1 1 37 37 HIS N N 15 111.683 0.036 . 1 . . . A 37 HIS N . 18415 1 429 . 1 1 38 38 LEU H H 1 9.964 0.001 . 1 . . . A 38 LEU H . 18415 1 430 . 1 1 38 38 LEU HA H 1 4.773 0.005 . 1 . . . A 38 LEU HA . 18415 1 431 . 1 1 38 38 LEU HB2 H 1 1.693 0.003 . 2 . . . A 38 LEU HB2 . 18415 1 432 . 1 1 38 38 LEU HB3 H 1 1.123 0.010 . 2 . . . A 38 LEU HB3 . 18415 1 433 . 1 1 38 38 LEU HG H 1 1.472 0.012 . 1 . . . A 38 LEU HG . 18415 1 434 . 1 1 38 38 LEU HD11 H 1 0.071 0.004 . 2 . . . A 38 LEU HD11 . 18415 1 435 . 1 1 38 38 LEU HD12 H 1 0.071 0.004 . 2 . . . A 38 LEU HD12 . 18415 1 436 . 1 1 38 38 LEU HD13 H 1 0.071 0.004 . 2 . . . A 38 LEU HD13 . 18415 1 437 . 1 1 38 38 LEU HD21 H 1 0.815 0.010 . 2 . . . A 38 LEU HD21 . 18415 1 438 . 1 1 38 38 LEU HD22 H 1 0.815 0.010 . 2 . . . A 38 LEU HD22 . 18415 1 439 . 1 1 38 38 LEU HD23 H 1 0.815 0.010 . 2 . . . A 38 LEU HD23 . 18415 1 440 . 1 1 38 38 LEU C C 13 179.180 0.042 . 1 . . . A 38 LEU C . 18415 1 441 . 1 1 38 38 LEU CA C 13 56.366 0.011 . 1 . . . A 38 LEU CA . 18415 1 442 . 1 1 38 38 LEU CB C 13 43.656 0.022 . 1 . . . A 38 LEU CB . 18415 1 443 . 1 1 38 38 LEU CG C 13 26.954 0.000 . 1 . . . A 38 LEU CG . 18415 1 444 . 1 1 38 38 LEU CD1 C 13 26.149 0.008 . 2 . . . A 38 LEU CD1 . 18415 1 445 . 1 1 38 38 LEU CD2 C 13 25.173 0.079 . 2 . . . A 38 LEU CD2 . 18415 1 446 . 1 1 38 38 LEU N N 15 123.260 0.036 . 1 . . . A 38 LEU N . 18415 1 447 . 1 1 39 39 MET H H 1 8.409 0.003 . 1 . . . A 39 MET H . 18415 1 448 . 1 1 39 39 MET HA H 1 3.855 0.003 . 1 . . . A 39 MET HA . 18415 1 449 . 1 1 39 39 MET HB2 H 1 1.800 0.015 . 1 . . . A 39 MET HB2 . 18415 1 450 . 1 1 39 39 MET HB3 H 1 1.800 0.015 . 1 . . . A 39 MET HB3 . 18415 1 451 . 1 1 39 39 MET HG2 H 1 2.540 0.011 . 2 . . . A 39 MET HG2 . 18415 1 452 . 1 1 39 39 MET HG3 H 1 2.498 0.018 . 2 . . . A 39 MET HG3 . 18415 1 453 . 1 1 39 39 MET HE1 H 1 1.941 0.006 . 1 . . . A 39 MET HE1 . 18415 1 454 . 1 1 39 39 MET HE2 H 1 1.941 0.006 . 1 . . . A 39 MET HE2 . 18415 1 455 . 1 1 39 39 MET HE3 H 1 1.941 0.006 . 1 . . . A 39 MET HE3 . 18415 1 456 . 1 1 39 39 MET C C 13 174.874 0.017 . 1 . . . A 39 MET C . 18415 1 457 . 1 1 39 39 MET CA C 13 58.789 0.028 . 1 . . . A 39 MET CA . 18415 1 458 . 1 1 39 39 MET CB C 13 34.405 0.061 . 1 . . . A 39 MET CB . 18415 1 459 . 1 1 39 39 MET CG C 13 33.481 0.008 . 1 . . . A 39 MET CG . 18415 1 460 . 1 1 39 39 MET CE C 13 19.542 0.003 . 1 . . . A 39 MET CE . 18415 1 461 . 1 1 39 39 MET N N 15 119.511 0.050 . 1 . . . A 39 MET N . 18415 1 462 . 1 1 40 40 THR H H 1 6.822 0.003 . 1 . . . A 40 THR H . 18415 1 463 . 1 1 40 40 THR HA H 1 4.013 0.005 . 1 . . . A 40 THR HA . 18415 1 464 . 1 1 40 40 THR HB H 1 3.451 0.003 . 1 . . . A 40 THR HB . 18415 1 465 . 1 1 40 40 THR HG21 H 1 0.412 0.009 . 1 . . . A 40 THR HG21 . 18415 1 466 . 1 1 40 40 THR HG22 H 1 0.412 0.009 . 1 . . . A 40 THR HG22 . 18415 1 467 . 1 1 40 40 THR HG23 H 1 0.412 0.009 . 1 . . . A 40 THR HG23 . 18415 1 468 . 1 1 40 40 THR C C 13 172.936 0.000 . 1 . . . A 40 THR C . 18415 1 469 . 1 1 40 40 THR CA C 13 59.869 0.033 . 1 . . . A 40 THR CA . 18415 1 470 . 1 1 40 40 THR CB C 13 70.587 0.006 . 1 . . . A 40 THR CB . 18415 1 471 . 1 1 40 40 THR CG2 C 13 21.239 0.006 . 1 . . . A 40 THR CG2 . 18415 1 472 . 1 1 40 40 THR N N 15 123.771 0.052 . 1 . . . A 40 THR N . 18415 1 473 . 1 1 41 41 ILE HA H 1 4.249 0.005 . 1 . . . A 41 ILE HA . 18415 1 474 . 1 1 41 41 ILE HB H 1 2.258 0.009 . 1 . . . A 41 ILE HB . 18415 1 475 . 1 1 41 41 ILE HG12 H 1 1.746 0.003 . 2 . . . A 41 ILE HG12 . 18415 1 476 . 1 1 41 41 ILE HG13 H 1 1.132 0.004 . 2 . . . A 41 ILE HG13 . 18415 1 477 . 1 1 41 41 ILE HG21 H 1 1.047 0.005 . 1 . . . A 41 ILE HG21 . 18415 1 478 . 1 1 41 41 ILE HG22 H 1 1.047 0.005 . 1 . . . A 41 ILE HG22 . 18415 1 479 . 1 1 41 41 ILE HG23 H 1 1.047 0.005 . 1 . . . A 41 ILE HG23 . 18415 1 480 . 1 1 41 41 ILE HD11 H 1 1.048 0.005 . 1 . . . A 41 ILE HD11 . 18415 1 481 . 1 1 41 41 ILE HD12 H 1 1.048 0.005 . 1 . . . A 41 ILE HD12 . 18415 1 482 . 1 1 41 41 ILE HD13 H 1 1.048 0.005 . 1 . . . A 41 ILE HD13 . 18415 1 483 . 1 1 41 41 ILE C C 13 174.349 0.000 . 1 . . . A 41 ILE C . 18415 1 484 . 1 1 41 41 ILE CA C 13 59.757 0.029 . 1 . . . A 41 ILE CA . 18415 1 485 . 1 1 41 41 ILE CB C 13 38.571 0.018 . 1 . . . A 41 ILE CB . 18415 1 486 . 1 1 41 41 ILE CG1 C 13 28.552 0.011 . 1 . . . A 41 ILE CG1 . 18415 1 487 . 1 1 41 41 ILE CG2 C 13 18.755 0.011 . 1 . . . A 41 ILE CG2 . 18415 1 488 . 1 1 41 41 ILE CD1 C 13 13.471 0.013 . 1 . . . A 41 ILE CD1 . 18415 1 489 . 1 1 42 42 SER H H 1 9.230 0.002 . 1 . . . A 42 SER H . 18415 1 490 . 1 1 42 42 SER HA H 1 4.647 0.007 . 1 . . . A 42 SER HA . 18415 1 491 . 1 1 42 42 SER HB2 H 1 3.924 0.006 . 2 . . . A 42 SER HB2 . 18415 1 492 . 1 1 42 42 SER HB3 H 1 3.882 0.009 . 2 . . . A 42 SER HB3 . 18415 1 493 . 1 1 42 42 SER C C 13 174.502 0.036 . 1 . . . A 42 SER C . 18415 1 494 . 1 1 42 42 SER CA C 13 59.768 0.013 . 1 . . . A 42 SER CA . 18415 1 495 . 1 1 42 42 SER CB C 13 64.720 0.009 . 1 . . . A 42 SER CB . 18415 1 496 . 1 1 42 42 SER N N 15 122.113 0.012 . 1 . . . A 42 SER N . 18415 1 497 . 1 1 43 43 THR H H 1 7.559 0.002 . 1 . . . A 43 THR H . 18415 1 498 . 1 1 43 43 THR HA H 1 4.807 0.001 . 1 . . . A 43 THR HA . 18415 1 499 . 1 1 43 43 THR HB H 1 4.593 0.006 . 1 . . . A 43 THR HB . 18415 1 500 . 1 1 43 43 THR HG21 H 1 1.284 0.004 . 1 . . . A 43 THR HG21 . 18415 1 501 . 1 1 43 43 THR HG22 H 1 1.284 0.004 . 1 . . . A 43 THR HG22 . 18415 1 502 . 1 1 43 43 THR HG23 H 1 1.284 0.004 . 1 . . . A 43 THR HG23 . 18415 1 503 . 1 1 43 43 THR C C 13 173.812 0.002 . 1 . . . A 43 THR C . 18415 1 504 . 1 1 43 43 THR CA C 13 59.249 0.010 . 1 . . . A 43 THR CA . 18415 1 505 . 1 1 43 43 THR CB C 13 73.128 0.016 . 1 . . . A 43 THR CB . 18415 1 506 . 1 1 43 43 THR CG2 C 13 22.132 0.008 . 1 . . . A 43 THR CG2 . 18415 1 507 . 1 1 43 43 THR N N 15 108.516 0.039 . 1 . . . A 43 THR N . 18415 1 508 . 1 1 44 44 GLU H H 1 9.377 0.001 . 1 . . . A 44 GLU H . 18415 1 509 . 1 1 44 44 GLU HA H 1 3.449 0.003 . 1 . . . A 44 GLU HA . 18415 1 510 . 1 1 44 44 GLU HB2 H 1 2.080 0.006 . 2 . . . A 44 GLU HB2 . 18415 1 511 . 1 1 44 44 GLU HB3 H 1 1.973 0.004 . 2 . . . A 44 GLU HB3 . 18415 1 512 . 1 1 44 44 GLU HG2 H 1 2.182 0.009 . 2 . . . A 44 GLU HG2 . 18415 1 513 . 1 1 44 44 GLU HG3 H 1 1.916 0.015 . 2 . . . A 44 GLU HG3 . 18415 1 514 . 1 1 44 44 GLU C C 13 178.262 0.027 . 1 . . . A 44 GLU C . 18415 1 515 . 1 1 44 44 GLU CA C 13 59.329 0.014 . 1 . . . A 44 GLU CA . 18415 1 516 . 1 1 44 44 GLU CB C 13 29.442 0.010 . 1 . . . A 44 GLU CB . 18415 1 517 . 1 1 44 44 GLU CG C 13 36.234 0.034 . 1 . . . A 44 GLU CG . 18415 1 518 . 1 1 44 44 GLU N N 15 123.057 0.015 . 1 . . . A 44 GLU N . 18415 1 519 . 1 1 45 45 ALA H H 1 8.328 0.002 . 1 . . . A 45 ALA H . 18415 1 520 . 1 1 45 45 ALA HA H 1 4.050 0.005 . 1 . . . A 45 ALA HA . 18415 1 521 . 1 1 45 45 ALA HB1 H 1 1.599 0.003 . 1 . . . A 45 ALA HB1 . 18415 1 522 . 1 1 45 45 ALA HB2 H 1 1.599 0.003 . 1 . . . A 45 ALA HB2 . 18415 1 523 . 1 1 45 45 ALA HB3 H 1 1.599 0.003 . 1 . . . A 45 ALA HB3 . 18415 1 524 . 1 1 45 45 ALA C C 13 180.096 0.009 . 1 . . . A 45 ALA C . 18415 1 525 . 1 1 45 45 ALA CA C 13 55.180 0.022 . 1 . . . A 45 ALA CA . 18415 1 526 . 1 1 45 45 ALA CB C 13 18.267 0.012 . 1 . . . A 45 ALA CB . 18415 1 527 . 1 1 45 45 ALA N N 15 119.910 0.037 . 1 . . . A 45 ALA N . 18415 1 528 . 1 1 46 46 GLU H H 1 7.852 0.002 . 1 . . . A 46 GLU H . 18415 1 529 . 1 1 46 46 GLU HA H 1 3.612 0.004 . 1 . . . A 46 GLU HA . 18415 1 530 . 1 1 46 46 GLU HB2 H 1 2.239 0.008 . 1 . . . A 46 GLU HB2 . 18415 1 531 . 1 1 46 46 GLU HB3 H 1 2.239 0.007 . 1 . . . A 46 GLU HB3 . 18415 1 532 . 1 1 46 46 GLU HG2 H 1 2.322 0.009 . 1 . . . A 46 GLU HG2 . 18415 1 533 . 1 1 46 46 GLU HG3 H 1 2.322 0.009 . 1 . . . A 46 GLU HG3 . 18415 1 534 . 1 1 46 46 GLU C C 13 177.452 0.015 . 1 . . . A 46 GLU C . 18415 1 535 . 1 1 46 46 GLU CA C 13 59.284 0.010 . 1 . . . A 46 GLU CA . 18415 1 536 . 1 1 46 46 GLU CB C 13 30.513 0.028 . 1 . . . A 46 GLU CB . 18415 1 537 . 1 1 46 46 GLU CG C 13 36.410 0.024 . 1 . . . A 46 GLU CG . 18415 1 538 . 1 1 46 46 GLU N N 15 118.861 0.037 . 1 . . . A 46 GLU N . 18415 1 539 . 1 1 47 47 GLN H H 1 7.054 0.002 . 1 . . . A 47 GLN H . 18415 1 540 . 1 1 47 47 GLN HA H 1 3.687 0.004 . 1 . . . A 47 GLN HA . 18415 1 541 . 1 1 47 47 GLN HB2 H 1 1.854 0.016 . 2 . . . A 47 GLN HB2 . 18415 1 542 . 1 1 47 47 GLN HB3 H 1 1.933 0.009 . 2 . . . A 47 GLN HB3 . 18415 1 543 . 1 1 47 47 GLN HG2 H 1 1.615 0.008 . 2 . . . A 47 GLN HG2 . 18415 1 544 . 1 1 47 47 GLN HG3 H 1 2.101 0.012 . 2 . . . A 47 GLN HG3 . 18415 1 545 . 1 1 47 47 GLN HE21 H 1 4.836 0.000 . 1 . . . A 47 GLN HE21 . 18415 1 546 . 1 1 47 47 GLN HE22 H 1 7.156 0.002 . 1 . . . A 47 GLN HE22 . 18415 1 547 . 1 1 47 47 GLN C C 13 176.429 0.008 . 1 . . . A 47 GLN C . 18415 1 548 . 1 1 47 47 GLN CA C 13 59.908 0.031 . 1 . . . A 47 GLN CA . 18415 1 549 . 1 1 47 47 GLN CB C 13 29.976 0.047 . 1 . . . A 47 GLN CB . 18415 1 550 . 1 1 47 47 GLN CG C 13 35.918 0.066 . 1 . . . A 47 GLN CG . 18415 1 551 . 1 1 47 47 GLN N N 15 119.473 0.011 . 1 . . . A 47 GLN N . 18415 1 552 . 1 1 47 47 GLN NE2 N 15 105.038 0.079 . 1 . . . A 47 GLN NE2 . 18415 1 553 . 1 1 48 48 ASN H H 1 8.416 0.012 . 1 . . . A 48 ASN H . 18415 1 554 . 1 1 48 48 ASN HA H 1 4.213 0.004 . 1 . . . A 48 ASN HA . 18415 1 555 . 1 1 48 48 ASN HB2 H 1 2.647 0.005 . 1 . . . A 48 ASN HB2 . 18415 1 556 . 1 1 48 48 ASN HB3 H 1 2.646 0.005 . 1 . . . A 48 ASN HB3 . 18415 1 557 . 1 1 48 48 ASN HD21 H 1 7.503 0.002 . 1 . . . A 48 ASN HD21 . 18415 1 558 . 1 1 48 48 ASN HD22 H 1 6.904 0.005 . 1 . . . A 48 ASN HD22 . 18415 1 559 . 1 1 48 48 ASN C C 13 176.986 0.008 . 1 . . . A 48 ASN C . 18415 1 560 . 1 1 48 48 ASN CA C 13 55.029 0.020 . 1 . . . A 48 ASN CA . 18415 1 561 . 1 1 48 48 ASN CB C 13 37.558 0.015 . 1 . . . A 48 ASN CB . 18415 1 562 . 1 1 48 48 ASN N N 15 115.182 0.037 . 1 . . . A 48 ASN N . 18415 1 563 . 1 1 48 48 ASN ND2 N 15 110.914 0.038 . 1 . . . A 48 ASN ND2 . 18415 1 564 . 1 1 49 49 PHE H H 1 7.473 0.004 . 1 . . . A 49 PHE H . 18415 1 565 . 1 1 49 49 PHE HA H 1 3.979 0.006 . 1 . . . A 49 PHE HA . 18415 1 566 . 1 1 49 49 PHE HB2 H 1 2.234 0.009 . 2 . . . A 49 PHE HB2 . 18415 1 567 . 1 1 49 49 PHE HB3 H 1 2.014 0.005 . 2 . . . A 49 PHE HB3 . 18415 1 568 . 1 1 49 49 PHE HD1 H 1 6.648 0.004 . 3 . . . A 49 PHE HD1 . 18415 1 569 . 1 1 49 49 PHE HD2 H 1 6.648 0.004 . 3 . . . A 49 PHE HD2 . 18415 1 570 . 1 1 49 49 PHE HE1 H 1 7.104 0.000 . 3 . . . A 49 PHE HE1 . 18415 1 571 . 1 1 49 49 PHE HE2 H 1 7.104 0.000 . 3 . . . A 49 PHE HE2 . 18415 1 572 . 1 1 49 49 PHE C C 13 177.254 0.022 . 1 . . . A 49 PHE C . 18415 1 573 . 1 1 49 49 PHE CA C 13 60.162 0.019 . 1 . . . A 49 PHE CA . 18415 1 574 . 1 1 49 49 PHE CB C 13 38.083 0.017 . 1 . . . A 49 PHE CB . 18415 1 575 . 1 1 49 49 PHE CD1 C 13 132.302 0.004 . 3 . . . A 49 PHE CD1 . 18415 1 576 . 1 1 49 49 PHE CD2 C 13 132.302 0.004 . 3 . . . A 49 PHE CD2 . 18415 1 577 . 1 1 49 49 PHE CE1 C 13 131.129 0.000 . 3 . . . A 49 PHE CE1 . 18415 1 578 . 1 1 49 49 PHE CE2 C 13 131.129 0.000 . 3 . . . A 49 PHE CE2 . 18415 1 579 . 1 1 49 49 PHE N N 15 118.413 0.022 . 1 . . . A 49 PHE N . 18415 1 580 . 1 1 50 50 ILE H H 1 7.020 0.002 . 1 . . . A 50 ILE H . 18415 1 581 . 1 1 50 50 ILE HA H 1 3.541 0.005 . 1 . . . A 50 ILE HA . 18415 1 582 . 1 1 50 50 ILE HB H 1 1.303 0.004 . 1 . . . A 50 ILE HB . 18415 1 583 . 1 1 50 50 ILE HG12 H 1 1.238 0.004 . 2 . . . A 50 ILE HG12 . 18415 1 584 . 1 1 50 50 ILE HG13 H 1 1.113 0.006 . 2 . . . A 50 ILE HG13 . 18415 1 585 . 1 1 50 50 ILE HG21 H 1 0.722 0.006 . 1 . . . A 50 ILE HG21 . 18415 1 586 . 1 1 50 50 ILE HG22 H 1 0.722 0.006 . 1 . . . A 50 ILE HG22 . 18415 1 587 . 1 1 50 50 ILE HG23 H 1 0.722 0.006 . 1 . . . A 50 ILE HG23 . 18415 1 588 . 1 1 50 50 ILE HD11 H 1 0.700 0.004 . 1 . . . A 50 ILE HD11 . 18415 1 589 . 1 1 50 50 ILE HD12 H 1 0.700 0.004 . 1 . . . A 50 ILE HD12 . 18415 1 590 . 1 1 50 50 ILE HD13 H 1 0.700 0.004 . 1 . . . A 50 ILE HD13 . 18415 1 591 . 1 1 50 50 ILE C C 13 176.891 0.010 . 1 . . . A 50 ILE C . 18415 1 592 . 1 1 50 50 ILE CA C 13 59.652 0.022 . 1 . . . A 50 ILE CA . 18415 1 593 . 1 1 50 50 ILE CB C 13 39.209 0.015 . 1 . . . A 50 ILE CB . 18415 1 594 . 1 1 50 50 ILE CG1 C 13 29.917 0.013 . 1 . . . A 50 ILE CG1 . 18415 1 595 . 1 1 50 50 ILE CG2 C 13 19.177 0.014 . 1 . . . A 50 ILE CG2 . 18415 1 596 . 1 1 50 50 ILE CD1 C 13 14.369 0.009 . 1 . . . A 50 ILE CD1 . 18415 1 597 . 1 1 50 50 ILE N N 15 117.601 0.030 . 1 . . . A 50 ILE N . 18415 1 598 . 1 1 51 51 ILE H H 1 7.216 0.004 . 1 . . . A 51 ILE H . 18415 1 599 . 1 1 51 51 ILE HA H 1 2.893 0.005 . 1 . . . A 51 ILE HA . 18415 1 600 . 1 1 51 51 ILE HB H 1 1.053 0.008 . 1 . . . A 51 ILE HB . 18415 1 601 . 1 1 51 51 ILE HG21 H 1 0.328 0.004 . 1 . . . A 51 ILE HG21 . 18415 1 602 . 1 1 51 51 ILE HG22 H 1 0.328 0.004 . 1 . . . A 51 ILE HG22 . 18415 1 603 . 1 1 51 51 ILE HG23 H 1 0.328 0.004 . 1 . . . A 51 ILE HG23 . 18415 1 604 . 1 1 51 51 ILE HD11 H 1 0.859 0.003 . 1 . . . A 51 ILE HD11 . 18415 1 605 . 1 1 51 51 ILE HD12 H 1 0.859 0.003 . 1 . . . A 51 ILE HD12 . 18415 1 606 . 1 1 51 51 ILE HD13 H 1 0.859 0.003 . 1 . . . A 51 ILE HD13 . 18415 1 607 . 1 1 51 51 ILE C C 13 177.092 0.021 . 1 . . . A 51 ILE C . 18415 1 608 . 1 1 51 51 ILE CA C 13 64.204 0.018 . 1 . . . A 51 ILE CA . 18415 1 609 . 1 1 51 51 ILE CB C 13 36.920 0.023 . 1 . . . A 51 ILE CB . 18415 1 610 . 1 1 51 51 ILE CG2 C 13 17.437 0.007 . 1 . . . A 51 ILE CG2 . 18415 1 611 . 1 1 51 51 ILE CD1 C 13 14.451 0.013 . 1 . . . A 51 ILE CD1 . 18415 1 612 . 1 1 51 51 ILE N N 15 114.824 0.065 . 1 . . . A 51 ILE N . 18415 1 613 . 1 1 52 52 GLN H H 1 6.416 0.003 . 1 . . . A 52 GLN H . 18415 1 614 . 1 1 52 52 GLN HA H 1 3.770 0.002 . 1 . . . A 52 GLN HA . 18415 1 615 . 1 1 52 52 GLN HB2 H 1 1.233 0.003 . 2 . . . A 52 GLN HB2 . 18415 1 616 . 1 1 52 52 GLN HB3 H 1 1.031 0.005 . 2 . . . A 52 GLN HB3 . 18415 1 617 . 1 1 52 52 GLN HG2 H 1 1.640 0.003 . 2 . . . A 52 GLN HG2 . 18415 1 618 . 1 1 52 52 GLN HG3 H 1 1.365 0.005 . 2 . . . A 52 GLN HG3 . 18415 1 619 . 1 1 52 52 GLN HE21 H 1 7.236 0.002 . 1 . . . A 52 GLN HE21 . 18415 1 620 . 1 1 52 52 GLN HE22 H 1 6.856 0.003 . 1 . . . A 52 GLN HE22 . 18415 1 621 . 1 1 52 52 GLN C C 13 176.442 0.016 . 1 . . . A 52 GLN C . 18415 1 622 . 1 1 52 52 GLN CA C 13 57.270 0.009 . 1 . . . A 52 GLN CA . 18415 1 623 . 1 1 52 52 GLN CB C 13 29.020 0.018 . 1 . . . A 52 GLN CB . 18415 1 624 . 1 1 52 52 GLN CG C 13 33.375 0.008 . 1 . . . A 52 GLN CG . 18415 1 625 . 1 1 52 52 GLN N N 15 116.767 0.026 . 1 . . . A 52 GLN N . 18415 1 626 . 1 1 52 52 GLN NE2 N 15 112.788 0.033 . 1 . . . A 52 GLN NE2 . 18415 1 627 . 1 1 53 53 PHE H H 1 7.216 0.003 . 1 . . . A 53 PHE H . 18415 1 628 . 1 1 53 53 PHE HA H 1 4.577 0.004 . 1 . . . A 53 PHE HA . 18415 1 629 . 1 1 53 53 PHE HB2 H 1 3.398 0.005 . 2 . . . A 53 PHE HB2 . 18415 1 630 . 1 1 53 53 PHE HB3 H 1 2.223 0.003 . 2 . . . A 53 PHE HB3 . 18415 1 631 . 1 1 53 53 PHE HD1 H 1 6.893 0.006 . 3 . . . A 53 PHE HD1 . 18415 1 632 . 1 1 53 53 PHE HD2 H 1 6.893 0.006 . 3 . . . A 53 PHE HD2 . 18415 1 633 . 1 1 53 53 PHE HE1 H 1 6.626 0.014 . 3 . . . A 53 PHE HE1 . 18415 1 634 . 1 1 53 53 PHE HE2 H 1 6.626 0.014 . 3 . . . A 53 PHE HE2 . 18415 1 635 . 1 1 53 53 PHE HZ H 1 7.058 0.012 . 1 . . . A 53 PHE HZ . 18415 1 636 . 1 1 53 53 PHE C C 13 174.993 0.015 . 1 . . . A 53 PHE C . 18415 1 637 . 1 1 53 53 PHE CA C 13 56.895 0.013 . 1 . . . A 53 PHE CA . 18415 1 638 . 1 1 53 53 PHE CB C 13 39.533 0.014 . 1 . . . A 53 PHE CB . 18415 1 639 . 1 1 53 53 PHE CD1 C 13 131.354 0.036 . 3 . . . A 53 PHE CD1 . 18415 1 640 . 1 1 53 53 PHE CD2 C 13 131.354 0.036 . 3 . . . A 53 PHE CD2 . 18415 1 641 . 1 1 53 53 PHE CE1 C 13 132.231 0.080 . 3 . . . A 53 PHE CE1 . 18415 1 642 . 1 1 53 53 PHE CE2 C 13 132.231 0.080 . 3 . . . A 53 PHE CE2 . 18415 1 643 . 1 1 53 53 PHE CZ C 13 129.575 0.036 . 1 . . . A 53 PHE CZ . 18415 1 644 . 1 1 53 53 PHE N N 15 115.400 0.037 . 1 . . . A 53 PHE N . 18415 1 645 . 1 1 54 54 LEU H H 1 6.668 0.003 . 1 . . . A 54 LEU H . 18415 1 646 . 1 1 54 54 LEU HA H 1 4.091 0.007 . 1 . . . A 54 LEU HA . 18415 1 647 . 1 1 54 54 LEU HB2 H 1 0.963 0.014 . 1 . . . A 54 LEU HB2 . 18415 1 648 . 1 1 54 54 LEU HB3 H 1 0.961 0.011 . 1 . . . A 54 LEU HB3 . 18415 1 649 . 1 1 54 54 LEU HG H 1 1.308 0.003 . 1 . . . A 54 LEU HG . 18415 1 650 . 1 1 54 54 LEU HD11 H 1 -0.566 0.007 . 2 . . . A 54 LEU HD11 . 18415 1 651 . 1 1 54 54 LEU HD12 H 1 -0.566 0.007 . 2 . . . A 54 LEU HD12 . 18415 1 652 . 1 1 54 54 LEU HD13 H 1 -0.566 0.007 . 2 . . . A 54 LEU HD13 . 18415 1 653 . 1 1 54 54 LEU HD21 H 1 -0.599 0.008 . 2 . . . A 54 LEU HD21 . 18415 1 654 . 1 1 54 54 LEU HD22 H 1 -0.599 0.008 . 2 . . . A 54 LEU HD22 . 18415 1 655 . 1 1 54 54 LEU HD23 H 1 -0.599 0.008 . 2 . . . A 54 LEU HD23 . 18415 1 656 . 1 1 54 54 LEU C C 13 175.467 0.014 . 1 . . . A 54 LEU C . 18415 1 657 . 1 1 54 54 LEU CA C 13 53.571 0.007 . 1 . . . A 54 LEU CA . 18415 1 658 . 1 1 54 54 LEU CB C 13 41.707 0.011 . 1 . . . A 54 LEU CB . 18415 1 659 . 1 1 54 54 LEU CG C 13 24.337 0.004 . 1 . . . A 54 LEU CG . 18415 1 660 . 1 1 54 54 LEU CD1 C 13 19.020 0.005 . 2 . . . A 54 LEU CD1 . 18415 1 661 . 1 1 54 54 LEU CD2 C 13 24.559 0.034 . 2 . . . A 54 LEU CD2 . 18415 1 662 . 1 1 54 54 LEU N N 15 118.096 0.026 . 1 . . . A 54 LEU N . 18415 1 663 . 1 1 55 55 ASP H H 1 8.687 0.006 . 1 . . . A 55 ASP H . 18415 1 664 . 1 1 55 55 ASP HA H 1 4.815 0.004 . 1 . . . A 55 ASP HA . 18415 1 665 . 1 1 55 55 ASP HB2 H 1 3.218 0.007 . 2 . . . A 55 ASP HB2 . 18415 1 666 . 1 1 55 55 ASP HB3 H 1 2.598 0.011 . 2 . . . A 55 ASP HB3 . 18415 1 667 . 1 1 55 55 ASP C C 13 177.896 0.014 . 1 . . . A 55 ASP C . 18415 1 668 . 1 1 55 55 ASP CA C 13 53.098 0.017 . 1 . . . A 55 ASP CA . 18415 1 669 . 1 1 55 55 ASP CB C 13 42.662 0.160 . 1 . . . A 55 ASP CB . 18415 1 670 . 1 1 55 55 ASP N N 15 123.723 0.018 . 1 . . . A 55 ASP N . 18415 1 671 . 1 1 56 56 ARG H H 1 8.758 0.003 . 1 . . . A 56 ARG H . 18415 1 672 . 1 1 56 56 ARG HA H 1 4.310 0.010 . 1 . . . A 56 ARG HA . 18415 1 673 . 1 1 56 56 ARG HB2 H 1 1.420 0.011 . 1 . . . A 56 ARG HB2 . 18415 1 674 . 1 1 56 56 ARG HB3 H 1 1.420 0.011 . 1 . . . A 56 ARG HB3 . 18415 1 675 . 1 1 56 56 ARG HG2 H 1 1.662 0.006 . 2 . . . A 56 ARG HG2 . 18415 1 676 . 1 1 56 56 ARG HG3 H 1 0.788 0.007 . 2 . . . A 56 ARG HG3 . 18415 1 677 . 1 1 56 56 ARG HD2 H 1 2.403 0.006 . 2 . . . A 56 ARG HD2 . 18415 1 678 . 1 1 56 56 ARG HD3 H 1 2.102 0.005 . 2 . . . A 56 ARG HD3 . 18415 1 679 . 1 1 56 56 ARG HE H 1 6.649 0.001 . 1 . . . A 56 ARG HE . 18415 1 680 . 1 1 56 56 ARG C C 13 178.201 0.024 . 1 . . . A 56 ARG C . 18415 1 681 . 1 1 56 56 ARG CA C 13 58.958 0.016 . 1 . . . A 56 ARG CA . 18415 1 682 . 1 1 56 56 ARG CB C 13 30.578 0.042 . 1 . . . A 56 ARG CB . 18415 1 683 . 1 1 56 56 ARG CG C 13 27.567 0.069 . 1 . . . A 56 ARG CG . 18415 1 684 . 1 1 56 56 ARG CD C 13 43.505 0.019 . 1 . . . A 56 ARG CD . 18415 1 685 . 1 1 56 56 ARG N N 15 124.370 0.023 . 1 . . . A 56 ARG N . 18415 1 686 . 1 1 56 56 ARG NE N 15 84.577 0.025 . 1 . . . A 56 ARG NE . 18415 1 687 . 1 1 57 57 ARG H H 1 9.150 0.002 . 1 . . . A 57 ARG H . 18415 1 688 . 1 1 57 57 ARG HA H 1 4.294 0.006 . 1 . . . A 57 ARG HA . 18415 1 689 . 1 1 57 57 ARG HB2 H 1 1.756 0.007 . 2 . . . A 57 ARG HB2 . 18415 1 690 . 1 1 57 57 ARG HB3 H 1 1.980 0.002 . 2 . . . A 57 ARG HB3 . 18415 1 691 . 1 1 57 57 ARG HG2 H 1 1.697 0.003 . 1 . . . A 57 ARG HG2 . 18415 1 692 . 1 1 57 57 ARG HG3 H 1 1.697 0.003 . 1 . . . A 57 ARG HG3 . 18415 1 693 . 1 1 57 57 ARG HD2 H 1 3.303 0.001 . 2 . . . A 57 ARG HD2 . 18415 1 694 . 1 1 57 57 ARG HD3 H 1 3.206 0.005 . 2 . . . A 57 ARG HD3 . 18415 1 695 . 1 1 57 57 ARG HE H 1 7.804 0.002 . 1 . . . A 57 ARG HE . 18415 1 696 . 1 1 57 57 ARG C C 13 177.064 0.000 . 1 . . . A 57 ARG C . 18415 1 697 . 1 1 57 57 ARG CA C 13 57.532 0.031 . 1 . . . A 57 ARG CA . 18415 1 698 . 1 1 57 57 ARG CB C 13 30.692 0.068 . 1 . . . A 57 ARG CB . 18415 1 699 . 1 1 57 57 ARG CG C 13 27.246 0.021 . 1 . . . A 57 ARG CG . 18415 1 700 . 1 1 57 57 ARG CD C 13 43.686 0.005 . 1 . . . A 57 ARG CD . 18415 1 701 . 1 1 57 57 ARG N N 15 120.411 0.012 . 1 . . . A 57 ARG N . 18415 1 702 . 1 1 57 57 ARG NE N 15 84.784 0.030 . 1 . . . A 57 ARG NE . 18415 1 703 . 1 1 58 58 LEU H H 1 8.328 0.002 . 1 . . . A 58 LEU H . 18415 1 704 . 1 1 58 58 LEU HA H 1 4.704 0.004 . 1 . . . A 58 LEU HA . 18415 1 705 . 1 1 58 58 LEU HB2 H 1 2.045 0.012 . 2 . . . A 58 LEU HB2 . 18415 1 706 . 1 1 58 58 LEU HB3 H 1 1.047 0.011 . 2 . . . A 58 LEU HB3 . 18415 1 707 . 1 1 58 58 LEU HG H 1 1.456 0.008 . 1 . . . A 58 LEU HG . 18415 1 708 . 1 1 58 58 LEU HD11 H 1 1.008 0.008 . 2 . . . A 58 LEU HD11 . 18415 1 709 . 1 1 58 58 LEU HD12 H 1 1.008 0.008 . 2 . . . A 58 LEU HD12 . 18415 1 710 . 1 1 58 58 LEU HD13 H 1 1.008 0.008 . 2 . . . A 58 LEU HD13 . 18415 1 711 . 1 1 58 58 LEU HD21 H 1 0.781 0.004 . 2 . . . A 58 LEU HD21 . 18415 1 712 . 1 1 58 58 LEU HD22 H 1 0.781 0.004 . 2 . . . A 58 LEU HD22 . 18415 1 713 . 1 1 58 58 LEU HD23 H 1 0.781 0.004 . 2 . . . A 58 LEU HD23 . 18415 1 714 . 1 1 58 58 LEU C C 13 176.450 0.000 . 1 . . . A 58 LEU C . 18415 1 715 . 1 1 58 58 LEU CA C 13 54.279 0.065 . 1 . . . A 58 LEU CA . 18415 1 716 . 1 1 58 58 LEU CB C 13 43.258 0.005 . 1 . . . A 58 LEU CB . 18415 1 717 . 1 1 58 58 LEU CG C 13 27.324 0.032 . 1 . . . A 58 LEU CG . 18415 1 718 . 1 1 58 58 LEU CD1 C 13 25.126 0.024 . 2 . . . A 58 LEU CD1 . 18415 1 719 . 1 1 58 58 LEU CD2 C 13 21.955 0.011 . 2 . . . A 58 LEU CD2 . 18415 1 720 . 1 1 58 58 LEU N N 15 119.445 0.034 . 1 . . . A 58 LEU N . 18415 1 721 . 1 1 59 59 SER H H 1 8.470 0.002 . 1 . . . A 59 SER H . 18415 1 722 . 1 1 59 59 SER HA H 1 5.505 0.003 . 1 . . . A 59 SER HA . 18415 1 723 . 1 1 59 59 SER HB2 H 1 3.850 0.005 . 2 . . . A 59 SER HB2 . 18415 1 724 . 1 1 59 59 SER HB3 H 1 3.584 0.004 . 2 . . . A 59 SER HB3 . 18415 1 725 . 1 1 59 59 SER C C 13 173.263 0.009 . 1 . . . A 59 SER C . 18415 1 726 . 1 1 59 59 SER CA C 13 57.199 0.009 . 1 . . . A 59 SER CA . 18415 1 727 . 1 1 59 59 SER CB C 13 65.064 0.011 . 1 . . . A 59 SER CB . 18415 1 728 . 1 1 59 59 SER N N 15 116.536 0.034 . 1 . . . A 59 SER N . 18415 1 729 . 1 1 60 60 TYR H H 1 8.897 0.002 . 1 . . . A 60 TYR H . 18415 1 730 . 1 1 60 60 TYR HA H 1 4.277 0.009 . 1 . . . A 60 TYR HA . 18415 1 731 . 1 1 60 60 TYR HB2 H 1 2.441 0.010 . 2 . . . A 60 TYR HB2 . 18415 1 732 . 1 1 60 60 TYR HB3 H 1 2.856 0.021 . 2 . . . A 60 TYR HB3 . 18415 1 733 . 1 1 60 60 TYR HD1 H 1 7.309 0.004 . 3 . . . A 60 TYR HD1 . 18415 1 734 . 1 1 60 60 TYR HD2 H 1 6.771 0.009 . 3 . . . A 60 TYR HD2 . 18415 1 735 . 1 1 60 60 TYR HE1 H 1 7.414 0.009 . 3 . . . A 60 TYR HE1 . 18415 1 736 . 1 1 60 60 TYR HE2 H 1 6.445 0.006 . 3 . . . A 60 TYR HE2 . 18415 1 737 . 1 1 60 60 TYR HH H 1 9.696 0.000 . 1 . . . A 60 TYR HH . 18415 1 738 . 1 1 60 60 TYR C C 13 175.560 0.014 . 1 . . . A 60 TYR C . 18415 1 739 . 1 1 60 60 TYR CA C 13 56.472 0.023 . 1 . . . A 60 TYR CA . 18415 1 740 . 1 1 60 60 TYR CB C 13 41.507 0.050 . 1 . . . A 60 TYR CB . 18415 1 741 . 1 1 60 60 TYR CD1 C 13 134.402 0.026 . 3 . . . A 60 TYR CD1 . 18415 1 742 . 1 1 60 60 TYR CD2 C 13 133.676 0.050 . 3 . . . A 60 TYR CD2 . 18415 1 743 . 1 1 60 60 TYR CE1 C 13 121.732 0.061 . 3 . . . A 60 TYR CE1 . 18415 1 744 . 1 1 60 60 TYR CE2 C 13 117.457 0.073 . 3 . . . A 60 TYR CE2 . 18415 1 745 . 1 1 60 60 TYR N N 15 120.274 0.025 . 1 . . . A 60 TYR N . 18415 1 746 . 1 1 61 61 PHE H H 1 9.521 0.003 . 1 . . . A 61 PHE H . 18415 1 747 . 1 1 61 61 PHE HA H 1 5.288 0.002 . 1 . . . A 61 PHE HA . 18415 1 748 . 1 1 61 61 PHE HB2 H 1 3.505 0.004 . 2 . . . A 61 PHE HB2 . 18415 1 749 . 1 1 61 61 PHE HB3 H 1 3.067 0.009 . 2 . . . A 61 PHE HB3 . 18415 1 750 . 1 1 61 61 PHE HD1 H 1 7.198 0.015 . 3 . . . A 61 PHE HD1 . 18415 1 751 . 1 1 61 61 PHE HD2 H 1 7.198 0.015 . 3 . . . A 61 PHE HD2 . 18415 1 752 . 1 1 61 61 PHE HE1 H 1 7.910 0.005 . 3 . . . A 61 PHE HE1 . 18415 1 753 . 1 1 61 61 PHE HE2 H 1 7.910 0.005 . 3 . . . A 61 PHE HE2 . 18415 1 754 . 1 1 61 61 PHE C C 13 175.433 0.029 . 1 . . . A 61 PHE C . 18415 1 755 . 1 1 61 61 PHE CA C 13 61.075 0.004 . 1 . . . A 61 PHE CA . 18415 1 756 . 1 1 61 61 PHE CB C 13 40.869 0.019 . 1 . . . A 61 PHE CB . 18415 1 757 . 1 1 61 61 PHE CD1 C 13 131.502 0.000 . 3 . . . A 61 PHE CD1 . 18415 1 758 . 1 1 61 61 PHE CD2 C 13 131.502 0.000 . 3 . . . A 61 PHE CD2 . 18415 1 759 . 1 1 61 61 PHE CE1 C 13 131.846 0.061 . 3 . . . A 61 PHE CE1 . 18415 1 760 . 1 1 61 61 PHE CE2 C 13 131.846 0.061 . 3 . . . A 61 PHE CE2 . 18415 1 761 . 1 1 61 61 PHE N N 15 123.635 0.028 . 1 . . . A 61 PHE N . 18415 1 762 . 1 1 62 62 LEU H H 1 8.394 0.004 . 1 . . . A 62 LEU H . 18415 1 763 . 1 1 62 62 LEU HA H 1 5.073 0.003 . 1 . . . A 62 LEU HA . 18415 1 764 . 1 1 62 62 LEU HB2 H 1 1.900 0.010 . 2 . . . A 62 LEU HB2 . 18415 1 765 . 1 1 62 62 LEU HB3 H 1 1.514 0.005 . 2 . . . A 62 LEU HB3 . 18415 1 766 . 1 1 62 62 LEU HG H 1 1.804 0.005 . 1 . . . A 62 LEU HG . 18415 1 767 . 1 1 62 62 LEU HD11 H 1 0.905 0.007 . 2 . . . A 62 LEU HD11 . 18415 1 768 . 1 1 62 62 LEU HD12 H 1 0.905 0.007 . 2 . . . A 62 LEU HD12 . 18415 1 769 . 1 1 62 62 LEU HD13 H 1 0.905 0.007 . 2 . . . A 62 LEU HD13 . 18415 1 770 . 1 1 62 62 LEU HD21 H 1 0.281 0.004 . 2 . . . A 62 LEU HD21 . 18415 1 771 . 1 1 62 62 LEU HD22 H 1 0.281 0.004 . 2 . . . A 62 LEU HD22 . 18415 1 772 . 1 1 62 62 LEU HD23 H 1 0.281 0.004 . 2 . . . A 62 LEU HD23 . 18415 1 773 . 1 1 62 62 LEU C C 13 179.521 0.000 . 1 . . . A 62 LEU C . 18415 1 774 . 1 1 62 62 LEU CA C 13 51.783 0.013 . 1 . . . A 62 LEU CA . 18415 1 775 . 1 1 62 62 LEU CB C 13 46.276 0.008 . 1 . . . A 62 LEU CB . 18415 1 776 . 1 1 62 62 LEU CG C 13 26.932 0.000 . 1 . . . A 62 LEU CG . 18415 1 777 . 1 1 62 62 LEU CD1 C 13 22.920 0.026 . 2 . . . A 62 LEU CD1 . 18415 1 778 . 1 1 62 62 LEU CD2 C 13 25.497 0.006 . 2 . . . A 62 LEU CD2 . 18415 1 779 . 1 1 62 62 LEU N N 15 114.382 0.051 . 1 . . . A 62 LEU N . 18415 1 780 . 1 1 63 63 GLY H H 1 9.253 0.003 . 1 . . . A 63 GLY H . 18415 1 781 . 1 1 63 63 GLY HA2 H 1 4.441 0.011 . 2 . . . A 63 GLY HA2 . 18415 1 782 . 1 1 63 63 GLY HA3 H 1 4.149 0.008 . 2 . . . A 63 GLY HA3 . 18415 1 783 . 1 1 63 63 GLY C C 13 172.404 0.006 . 1 . . . A 63 GLY C . 18415 1 784 . 1 1 63 63 GLY CA C 13 48.393 0.005 . 1 . . . A 63 GLY CA . 18415 1 785 . 1 1 63 63 GLY N N 15 106.675 0.029 . 1 . . . A 63 GLY N . 18415 1 786 . 1 1 64 64 LEU H H 1 6.840 0.010 . 1 . . . A 64 LEU H . 18415 1 787 . 1 1 64 64 LEU HA H 1 4.584 0.003 . 1 . . . A 64 LEU HA . 18415 1 788 . 1 1 64 64 LEU HB2 H 1 0.274 0.006 . 2 . . . A 64 LEU HB2 . 18415 1 789 . 1 1 64 64 LEU HB3 H 1 1.032 0.010 . 2 . . . A 64 LEU HB3 . 18415 1 790 . 1 1 64 64 LEU HG H 1 0.991 0.006 . 1 . . . A 64 LEU HG . 18415 1 791 . 1 1 64 64 LEU HD11 H 1 -0.283 0.005 . 2 . . . A 64 LEU HD11 . 18415 1 792 . 1 1 64 64 LEU HD12 H 1 -0.283 0.005 . 2 . . . A 64 LEU HD12 . 18415 1 793 . 1 1 64 64 LEU HD13 H 1 -0.283 0.005 . 2 . . . A 64 LEU HD13 . 18415 1 794 . 1 1 64 64 LEU HD21 H 1 -0.677 0.004 . 2 . . . A 64 LEU HD21 . 18415 1 795 . 1 1 64 64 LEU HD22 H 1 -0.677 0.004 . 2 . . . A 64 LEU HD22 . 18415 1 796 . 1 1 64 64 LEU HD23 H 1 -0.677 0.004 . 2 . . . A 64 LEU HD23 . 18415 1 797 . 1 1 64 64 LEU CA C 13 54.302 0.017 . 1 . . . A 64 LEU CA . 18415 1 798 . 1 1 64 64 LEU CB C 13 43.272 0.012 . 1 . . . A 64 LEU CB . 18415 1 799 . 1 1 64 64 LEU CG C 13 25.751 0.000 . 1 . . . A 64 LEU CG . 18415 1 800 . 1 1 64 64 LEU CD1 C 13 25.327 0.032 . 2 . . . A 64 LEU CD1 . 18415 1 801 . 1 1 64 64 LEU CD2 C 13 21.992 0.018 . 2 . . . A 64 LEU CD2 . 18415 1 802 . 1 1 64 64 LEU N N 15 124.754 0.049 . 1 . . . A 64 LEU N . 18415 1 803 . 1 1 65 65 ARG H H 1 8.218 0.004 . 1 . . . A 65 ARG H . 18415 1 804 . 1 1 65 65 ARG HA H 1 5.160 0.005 . 1 . . . A 65 ARG HA . 18415 1 805 . 1 1 65 65 ARG HB2 H 1 1.385 0.007 . 2 . . . A 65 ARG HB2 . 18415 1 806 . 1 1 65 65 ARG HB3 H 1 1.038 0.015 . 2 . . . A 65 ARG HB3 . 18415 1 807 . 1 1 65 65 ARG HG2 H 1 1.151 0.006 . 2 . . . A 65 ARG HG2 . 18415 1 808 . 1 1 65 65 ARG HG3 H 1 0.883 0.007 . 2 . . . A 65 ARG HG3 . 18415 1 809 . 1 1 65 65 ARG HD2 H 1 1.892 0.013 . 2 . . . A 65 ARG HD2 . 18415 1 810 . 1 1 65 65 ARG HD3 H 1 1.802 0.004 . 2 . . . A 65 ARG HD3 . 18415 1 811 . 1 1 65 65 ARG C C 13 174.245 0.000 . 1 . . . A 65 ARG C . 18415 1 812 . 1 1 65 65 ARG CA C 13 54.904 0.022 . 1 . . . A 65 ARG CA . 18415 1 813 . 1 1 65 65 ARG CB C 13 34.531 0.043 . 1 . . . A 65 ARG CB . 18415 1 814 . 1 1 65 65 ARG CG C 13 26.908 0.005 . 1 . . . A 65 ARG CG . 18415 1 815 . 1 1 65 65 ARG CD C 13 43.229 0.009 . 1 . . . A 65 ARG CD . 18415 1 816 . 1 1 65 65 ARG N N 15 124.476 0.067 . 1 . . . A 65 ARG N . 18415 1 817 . 1 1 66 66 ASP H H 1 8.756 0.003 . 1 . . . A 66 ASP H . 18415 1 818 . 1 1 66 66 ASP HA H 1 4.429 0.005 . 1 . . . A 66 ASP HA . 18415 1 819 . 1 1 66 66 ASP HB2 H 1 1.514 0.000 . 2 . . . A 66 ASP HB2 . 18415 1 820 . 1 1 66 66 ASP HB3 H 1 0.568 0.025 . 2 . . . A 66 ASP HB3 . 18415 1 821 . 1 1 66 66 ASP C C 13 176.516 0.000 . 1 . . . A 66 ASP C . 18415 1 822 . 1 1 66 66 ASP CA C 13 51.854 0.012 . 1 . . . A 66 ASP CA . 18415 1 823 . 1 1 66 66 ASP CB C 13 39.768 0.014 . 1 . . . A 66 ASP CB . 18415 1 824 . 1 1 66 66 ASP N N 15 126.754 0.047 . 1 . . . A 66 ASP N . 18415 1 825 . 1 1 67 67 GLU H H 1 8.488 0.003 . 1 . . . A 67 GLU H . 18415 1 826 . 1 1 67 67 GLU HA H 1 3.776 0.008 . 1 . . . A 67 GLU HA . 18415 1 827 . 1 1 67 67 GLU HB2 H 1 1.877 0.004 . 1 . . . A 67 GLU HB2 . 18415 1 828 . 1 1 67 67 GLU HB3 H 1 1.877 0.004 . 1 . . . A 67 GLU HB3 . 18415 1 829 . 1 1 67 67 GLU HG2 H 1 2.113 0.006 . 1 . . . A 67 GLU HG2 . 18415 1 830 . 1 1 67 67 GLU HG3 H 1 2.113 0.006 . 1 . . . A 67 GLU HG3 . 18415 1 831 . 1 1 67 67 GLU C C 13 175.648 0.036 . 1 . . . A 67 GLU C . 18415 1 832 . 1 1 67 67 GLU CA C 13 58.848 0.021 . 1 . . . A 67 GLU CA . 18415 1 833 . 1 1 67 67 GLU CB C 13 30.316 0.034 . 1 . . . A 67 GLU CB . 18415 1 834 . 1 1 67 67 GLU CG C 13 35.931 0.042 . 1 . . . A 67 GLU CG . 18415 1 835 . 1 1 67 67 GLU N N 15 123.390 0.027 . 1 . . . A 67 GLU N . 18415 1 836 . 1 1 68 68 ASN H H 1 8.336 0.004 . 1 . . . A 68 ASN H . 18415 1 837 . 1 1 68 68 ASN HA H 1 4.664 0.010 . 1 . . . A 68 ASN HA . 18415 1 838 . 1 1 68 68 ASN HB2 H 1 2.796 0.004 . 2 . . . A 68 ASN HB2 . 18415 1 839 . 1 1 68 68 ASN HB3 H 1 2.555 0.013 . 2 . . . A 68 ASN HB3 . 18415 1 840 . 1 1 68 68 ASN HD21 H 1 7.448 0.005 . 1 . . . A 68 ASN HD21 . 18415 1 841 . 1 1 68 68 ASN HD22 H 1 6.819 0.004 . 1 . . . A 68 ASN HD22 . 18415 1 842 . 1 1 68 68 ASN C C 13 174.482 0.015 . 1 . . . A 68 ASN C . 18415 1 843 . 1 1 68 68 ASN CA C 13 52.914 0.038 . 1 . . . A 68 ASN CA . 18415 1 844 . 1 1 68 68 ASN CB C 13 39.412 0.039 . 1 . . . A 68 ASN CB . 18415 1 845 . 1 1 68 68 ASN N N 15 114.882 0.022 . 1 . . . A 68 ASN N . 18415 1 846 . 1 1 68 68 ASN ND2 N 15 111.778 0.047 . 1 . . . A 68 ASN ND2 . 18415 1 847 . 1 1 69 69 ALA H H 1 7.444 0.004 . 1 . . . A 69 ALA H . 18415 1 848 . 1 1 69 69 ALA HA H 1 3.874 0.003 . 1 . . . A 69 ALA HA . 18415 1 849 . 1 1 69 69 ALA HB1 H 1 1.311 0.004 . 1 . . . A 69 ALA HB1 . 18415 1 850 . 1 1 69 69 ALA HB2 H 1 1.311 0.004 . 1 . . . A 69 ALA HB2 . 18415 1 851 . 1 1 69 69 ALA HB3 H 1 1.311 0.004 . 1 . . . A 69 ALA HB3 . 18415 1 852 . 1 1 69 69 ALA C C 13 177.082 0.011 . 1 . . . A 69 ALA C . 18415 1 853 . 1 1 69 69 ALA CA C 13 53.632 0.018 . 1 . . . A 69 ALA CA . 18415 1 854 . 1 1 69 69 ALA CB C 13 17.171 0.018 . 1 . . . A 69 ALA CB . 18415 1 855 . 1 1 69 69 ALA N N 15 118.915 0.017 . 1 . . . A 69 ALA N . 18415 1 856 . 1 1 70 70 LYS H H 1 7.925 0.002 . 1 . . . A 70 LYS H . 18415 1 857 . 1 1 70 70 LYS HA H 1 4.318 0.005 . 1 . . . A 70 LYS HA . 18415 1 858 . 1 1 70 70 LYS HB2 H 1 1.905 0.005 . 2 . . . A 70 LYS HB2 . 18415 1 859 . 1 1 70 70 LYS HB3 H 1 1.526 0.005 . 2 . . . A 70 LYS HB3 . 18415 1 860 . 1 1 70 70 LYS HG2 H 1 1.262 0.004 . 2 . . . A 70 LYS HG2 . 18415 1 861 . 1 1 70 70 LYS HG3 H 1 1.353 0.009 . 2 . . . A 70 LYS HG3 . 18415 1 862 . 1 1 70 70 LYS HD2 H 1 1.574 0.016 . 1 . . . A 70 LYS HD2 . 18415 1 863 . 1 1 70 70 LYS HD3 H 1 1.574 0.016 . 1 . . . A 70 LYS HD3 . 18415 1 864 . 1 1 70 70 LYS HE2 H 1 2.931 0.013 . 1 . . . A 70 LYS HE2 . 18415 1 865 . 1 1 70 70 LYS HE3 H 1 2.931 0.013 . 1 . . . A 70 LYS HE3 . 18415 1 866 . 1 1 70 70 LYS C C 13 177.726 0.000 . 1 . . . A 70 LYS C . 18415 1 867 . 1 1 70 70 LYS CA C 13 55.423 0.044 . 1 . . . A 70 LYS CA . 18415 1 868 . 1 1 70 70 LYS CB C 13 32.736 0.031 . 1 . . . A 70 LYS CB . 18415 1 869 . 1 1 70 70 LYS CG C 13 24.681 0.040 . 1 . . . A 70 LYS CG . 18415 1 870 . 1 1 70 70 LYS CD C 13 28.584 0.038 . 1 . . . A 70 LYS CD . 18415 1 871 . 1 1 70 70 LYS CE C 13 42.009 0.000 . 1 . . . A 70 LYS CE . 18415 1 872 . 1 1 70 70 LYS N N 15 117.439 0.016 . 1 . . . A 70 LYS N . 18415 1 873 . 1 1 71 71 GLY HA2 H 1 3.956 0.007 . 2 . . . A 71 GLY HA2 . 18415 1 874 . 1 1 71 71 GLY HA3 H 1 3.078 0.021 . 2 . . . A 71 GLY HA3 . 18415 1 875 . 1 1 71 71 GLY C C 13 175.127 0.000 . 1 . . . A 71 GLY C . 18415 1 876 . 1 1 71 71 GLY CA C 13 45.674 0.011 . 1 . . . A 71 GLY CA . 18415 1 877 . 1 1 72 72 GLN H H 1 7.749 0.002 . 1 . . . A 72 GLN H . 18415 1 878 . 1 1 72 72 GLN HA H 1 4.391 0.004 . 1 . . . A 72 GLN HA . 18415 1 879 . 1 1 72 72 GLN HB2 H 1 1.964 0.011 . 2 . . . A 72 GLN HB2 . 18415 1 880 . 1 1 72 72 GLN HB3 H 1 1.684 0.007 . 2 . . . A 72 GLN HB3 . 18415 1 881 . 1 1 72 72 GLN HG2 H 1 2.146 0.009 . 1 . . . A 72 GLN HG2 . 18415 1 882 . 1 1 72 72 GLN HG3 H 1 2.146 0.009 . 1 . . . A 72 GLN HG3 . 18415 1 883 . 1 1 72 72 GLN HE21 H 1 7.497 0.003 . 1 . . . A 72 GLN HE21 . 18415 1 884 . 1 1 72 72 GLN HE22 H 1 6.852 0.002 . 1 . . . A 72 GLN HE22 . 18415 1 885 . 1 1 72 72 GLN C C 13 174.283 0.007 . 1 . . . A 72 GLN C . 18415 1 886 . 1 1 72 72 GLN CA C 13 53.157 0.017 . 1 . . . A 72 GLN CA . 18415 1 887 . 1 1 72 72 GLN CB C 13 27.633 0.018 . 1 . . . A 72 GLN CB . 18415 1 888 . 1 1 72 72 GLN CG C 13 33.700 0.036 . 1 . . . A 72 GLN CG . 18415 1 889 . 1 1 72 72 GLN N N 15 124.084 0.026 . 1 . . . A 72 GLN N . 18415 1 890 . 1 1 72 72 GLN NE2 N 15 112.284 0.046 . 1 . . . A 72 GLN NE2 . 18415 1 891 . 1 1 73 73 TRP H H 1 6.599 0.005 . 1 . . . A 73 TRP H . 18415 1 892 . 1 1 73 73 TRP HA H 1 3.905 0.010 . 1 . . . A 73 TRP HA . 18415 1 893 . 1 1 73 73 TRP HB2 H 1 2.126 0.011 . 2 . . . A 73 TRP HB2 . 18415 1 894 . 1 1 73 73 TRP HB3 H 1 1.271 0.013 . 2 . . . A 73 TRP HB3 . 18415 1 895 . 1 1 73 73 TRP HD1 H 1 7.044 0.008 . 1 . . . A 73 TRP HD1 . 18415 1 896 . 1 1 73 73 TRP HE1 H 1 10.179 0.002 . 1 . . . A 73 TRP HE1 . 18415 1 897 . 1 1 73 73 TRP HE3 H 1 6.822 0.008 . 1 . . . A 73 TRP HE3 . 18415 1 898 . 1 1 73 73 TRP HZ2 H 1 7.224 0.005 . 1 . . . A 73 TRP HZ2 . 18415 1 899 . 1 1 73 73 TRP HZ3 H 1 6.592 0.008 . 1 . . . A 73 TRP HZ3 . 18415 1 900 . 1 1 73 73 TRP HH2 H 1 6.921 0.005 . 1 . . . A 73 TRP HH2 . 18415 1 901 . 1 1 73 73 TRP C C 13 175.776 0.019 . 1 . . . A 73 TRP C . 18415 1 902 . 1 1 73 73 TRP CA C 13 56.821 0.009 . 1 . . . A 73 TRP CA . 18415 1 903 . 1 1 73 73 TRP CB C 13 28.876 0.011 . 1 . . . A 73 TRP CB . 18415 1 904 . 1 1 73 73 TRP CD1 C 13 127.506 0.021 . 1 . . . A 73 TRP CD1 . 18415 1 905 . 1 1 73 73 TRP CE3 C 13 120.224 0.073 . 1 . . . A 73 TRP CE3 . 18415 1 906 . 1 1 73 73 TRP CZ2 C 13 115.298 0.048 . 1 . . . A 73 TRP CZ2 . 18415 1 907 . 1 1 73 73 TRP CZ3 C 13 122.434 0.099 . 1 . . . A 73 TRP CZ3 . 18415 1 908 . 1 1 73 73 TRP CH2 C 13 124.242 0.062 . 1 . . . A 73 TRP CH2 . 18415 1 909 . 1 1 73 73 TRP N N 15 121.803 0.026 . 1 . . . A 73 TRP N . 18415 1 910 . 1 1 73 73 TRP NE1 N 15 128.301 0.034 . 1 . . . A 73 TRP NE1 . 18415 1 911 . 1 1 74 74 ARG H H 1 8.443 0.003 . 1 . . . A 74 ARG H . 18415 1 912 . 1 1 74 74 ARG HA H 1 4.706 0.002 . 1 . . . A 74 ARG HA . 18415 1 913 . 1 1 74 74 ARG HB2 H 1 1.898 0.004 . 2 . . . A 74 ARG HB2 . 18415 1 914 . 1 1 74 74 ARG HB3 H 1 1.757 0.002 . 2 . . . A 74 ARG HB3 . 18415 1 915 . 1 1 74 74 ARG HG2 H 1 1.696 0.008 . 1 . . . A 74 ARG HG2 . 18415 1 916 . 1 1 74 74 ARG HG3 H 1 1.696 0.008 . 1 . . . A 74 ARG HG3 . 18415 1 917 . 1 1 74 74 ARG HD2 H 1 3.302 0.003 . 2 . . . A 74 ARG HD2 . 18415 1 918 . 1 1 74 74 ARG HD3 H 1 3.223 0.002 . 2 . . . A 74 ARG HD3 . 18415 1 919 . 1 1 74 74 ARG HE H 1 7.220 0.002 . 1 . . . A 74 ARG HE . 18415 1 920 . 1 1 74 74 ARG C C 13 176.980 0.009 . 1 . . . A 74 ARG C . 18415 1 921 . 1 1 74 74 ARG CA C 13 54.333 0.020 . 1 . . . A 74 ARG CA . 18415 1 922 . 1 1 74 74 ARG CB C 13 34.623 0.014 . 1 . . . A 74 ARG CB . 18415 1 923 . 1 1 74 74 ARG CD C 13 43.448 0.003 . 1 . . . A 74 ARG CD . 18415 1 924 . 1 1 74 74 ARG N N 15 119.549 0.046 . 1 . . . A 74 ARG N . 18415 1 925 . 1 1 74 74 ARG NE N 15 85.727 0.027 . 1 . . . A 74 ARG NE . 18415 1 926 . 1 1 75 75 TRP H H 1 9.052 0.001 . 1 . . . A 75 TRP H . 18415 1 927 . 1 1 75 75 TRP HA H 1 5.427 0.012 . 1 . . . A 75 TRP HA . 18415 1 928 . 1 1 75 75 TRP HB2 H 1 3.574 0.009 . 2 . . . A 75 TRP HB2 . 18415 1 929 . 1 1 75 75 TRP HB3 H 1 3.393 0.008 . 2 . . . A 75 TRP HB3 . 18415 1 930 . 1 1 75 75 TRP HD1 H 1 7.430 0.005 . 1 . . . A 75 TRP HD1 . 18415 1 931 . 1 1 75 75 TRP HE1 H 1 11.046 0.003 . 1 . . . A 75 TRP HE1 . 18415 1 932 . 1 1 75 75 TRP HE3 H 1 7.649 0.011 . 1 . . . A 75 TRP HE3 . 18415 1 933 . 1 1 75 75 TRP HZ2 H 1 8.145 0.006 . 1 . . . A 75 TRP HZ2 . 18415 1 934 . 1 1 75 75 TRP HZ3 H 1 7.221 0.003 . 1 . . . A 75 TRP HZ3 . 18415 1 935 . 1 1 75 75 TRP HH2 H 1 6.807 0.010 . 1 . . . A 75 TRP HH2 . 18415 1 936 . 1 1 75 75 TRP C C 13 180.474 0.000 . 1 . . . A 75 TRP C . 18415 1 937 . 1 1 75 75 TRP CA C 13 55.766 0.008 . 1 . . . A 75 TRP CA . 18415 1 938 . 1 1 75 75 TRP CB C 13 31.030 0.028 . 1 . . . A 75 TRP CB . 18415 1 939 . 1 1 75 75 TRP CD1 C 13 129.633 0.042 . 1 . . . A 75 TRP CD1 . 18415 1 940 . 1 1 75 75 TRP CE3 C 13 122.606 0.047 . 1 . . . A 75 TRP CE3 . 18415 1 941 . 1 1 75 75 TRP CZ2 C 13 117.153 0.024 . 1 . . . A 75 TRP CZ2 . 18415 1 942 . 1 1 75 75 TRP CZ3 C 13 122.458 0.000 . 1 . . . A 75 TRP CZ3 . 18415 1 943 . 1 1 75 75 TRP CH2 C 13 122.520 0.000 . 1 . . . A 75 TRP CH2 . 18415 1 944 . 1 1 75 75 TRP N N 15 125.690 0.040 . 1 . . . A 75 TRP N . 18415 1 945 . 1 1 75 75 TRP NE1 N 15 130.412 0.012 . 1 . . . A 75 TRP NE1 . 18415 1 946 . 1 1 76 76 VAL HA H 1 4.278 0.004 . 1 . . . A 76 VAL HA . 18415 1 947 . 1 1 76 76 VAL HB H 1 2.586 0.007 . 1 . . . A 76 VAL HB . 18415 1 948 . 1 1 76 76 VAL HG11 H 1 1.238 0.006 . 2 . . . A 76 VAL HG11 . 18415 1 949 . 1 1 76 76 VAL HG12 H 1 1.238 0.006 . 2 . . . A 76 VAL HG12 . 18415 1 950 . 1 1 76 76 VAL HG13 H 1 1.238 0.006 . 2 . . . A 76 VAL HG13 . 18415 1 951 . 1 1 76 76 VAL HG21 H 1 1.253 0.009 . 2 . . . A 76 VAL HG21 . 18415 1 952 . 1 1 76 76 VAL HG22 H 1 1.253 0.009 . 2 . . . A 76 VAL HG22 . 18415 1 953 . 1 1 76 76 VAL HG23 H 1 1.253 0.009 . 2 . . . A 76 VAL HG23 . 18415 1 954 . 1 1 76 76 VAL C C 13 175.431 0.000 . 1 . . . A 76 VAL C . 18415 1 955 . 1 1 76 76 VAL CA C 13 64.564 0.018 . 1 . . . A 76 VAL CA . 18415 1 956 . 1 1 76 76 VAL CB C 13 32.369 0.017 . 1 . . . A 76 VAL CB . 18415 1 957 . 1 1 76 76 VAL CG1 C 13 20.880 0.039 . 2 . . . A 76 VAL CG1 . 18415 1 958 . 1 1 76 76 VAL CG2 C 13 22.795 0.020 . 2 . . . A 76 VAL CG2 . 18415 1 959 . 1 1 77 77 ASP H H 1 8.004 0.004 . 1 . . . A 77 ASP H . 18415 1 960 . 1 1 77 77 ASP HA H 1 3.978 0.004 . 1 . . . A 77 ASP HA . 18415 1 961 . 1 1 77 77 ASP HB2 H 1 3.113 0.007 . 2 . . . A 77 ASP HB2 . 18415 1 962 . 1 1 77 77 ASP HB3 H 1 2.107 0.007 . 2 . . . A 77 ASP HB3 . 18415 1 963 . 1 1 77 77 ASP C C 13 176.293 0.003 . 1 . . . A 77 ASP C . 18415 1 964 . 1 1 77 77 ASP CA C 13 52.759 0.019 . 1 . . . A 77 ASP CA . 18415 1 965 . 1 1 77 77 ASP CB C 13 40.410 0.047 . 1 . . . A 77 ASP CB . 18415 1 966 . 1 1 77 77 ASP N N 15 119.941 0.040 . 1 . . . A 77 ASP N . 18415 1 967 . 1 1 78 78 GLN H H 1 8.124 0.002 . 1 . . . A 78 GLN H . 18415 1 968 . 1 1 78 78 GLN HA H 1 4.125 0.005 . 1 . . . A 78 GLN HA . 18415 1 969 . 1 1 78 78 GLN HB2 H 1 2.504 0.004 . 2 . . . A 78 GLN HB2 . 18415 1 970 . 1 1 78 78 GLN HB3 H 1 2.394 0.000 . 2 . . . A 78 GLN HB3 . 18415 1 971 . 1 1 78 78 GLN HG2 H 1 2.334 0.008 . 1 . . . A 78 GLN HG2 . 18415 1 972 . 1 1 78 78 GLN HG3 H 1 2.334 0.008 . 1 . . . A 78 GLN HG3 . 18415 1 973 . 1 1 78 78 GLN HE21 H 1 6.873 0.007 . 1 . . . A 78 GLN HE21 . 18415 1 974 . 1 1 78 78 GLN HE22 H 1 7.516 0.001 . 1 . . . A 78 GLN HE22 . 18415 1 975 . 1 1 78 78 GLN C C 13 176.387 0.007 . 1 . . . A 78 GLN C . 18415 1 976 . 1 1 78 78 GLN CA C 13 57.792 0.014 . 1 . . . A 78 GLN CA . 18415 1 977 . 1 1 78 78 GLN CB C 13 26.101 0.015 . 1 . . . A 78 GLN CB . 18415 1 978 . 1 1 78 78 GLN CG C 13 34.597 0.009 . 1 . . . A 78 GLN CG . 18415 1 979 . 1 1 78 78 GLN N N 15 109.962 0.034 . 1 . . . A 78 GLN N . 18415 1 980 . 1 1 78 78 GLN NE2 N 15 112.618 0.013 . 1 . . . A 78 GLN NE2 . 18415 1 981 . 1 1 79 79 THR H H 1 8.172 0.002 . 1 . . . A 79 THR H . 18415 1 982 . 1 1 79 79 THR HA H 1 4.250 0.004 . 1 . . . A 79 THR HA . 18415 1 983 . 1 1 79 79 THR HB H 1 3.831 0.004 . 1 . . . A 79 THR HB . 18415 1 984 . 1 1 79 79 THR HG21 H 1 1.135 0.003 . 1 . . . A 79 THR HG21 . 18415 1 985 . 1 1 79 79 THR HG22 H 1 1.135 0.003 . 1 . . . A 79 THR HG22 . 18415 1 986 . 1 1 79 79 THR HG23 H 1 1.135 0.003 . 1 . . . A 79 THR HG23 . 18415 1 987 . 1 1 79 79 THR C C 13 172.901 0.000 . 1 . . . A 79 THR C . 18415 1 988 . 1 1 79 79 THR CA C 13 63.165 0.054 . 1 . . . A 79 THR CA . 18415 1 989 . 1 1 79 79 THR CB C 13 69.427 0.025 . 1 . . . A 79 THR CB . 18415 1 990 . 1 1 79 79 THR CG2 C 13 20.259 0.012 . 1 . . . A 79 THR CG2 . 18415 1 991 . 1 1 79 79 THR N N 15 121.656 0.057 . 1 . . . A 79 THR N . 18415 1 992 . 1 1 80 80 PRO HA H 1 4.522 0.002 . 1 . . . A 80 PRO HA . 18415 1 993 . 1 1 80 80 PRO HB2 H 1 2.465 0.002 . 2 . . . A 80 PRO HB2 . 18415 1 994 . 1 1 80 80 PRO HB3 H 1 1.959 0.007 . 2 . . . A 80 PRO HB3 . 18415 1 995 . 1 1 80 80 PRO HG2 H 1 2.241 0.003 . 2 . . . A 80 PRO HG2 . 18415 1 996 . 1 1 80 80 PRO HG3 H 1 2.104 0.002 . 2 . . . A 80 PRO HG3 . 18415 1 997 . 1 1 80 80 PRO HD2 H 1 3.773 0.003 . 2 . . . A 80 PRO HD2 . 18415 1 998 . 1 1 80 80 PRO HD3 H 1 4.114 0.005 . 2 . . . A 80 PRO HD3 . 18415 1 999 . 1 1 80 80 PRO C C 13 176.940 0.013 . 1 . . . A 80 PRO C . 18415 1 1000 . 1 1 80 80 PRO CA C 13 63.688 0.010 . 1 . . . A 80 PRO CA . 18415 1 1001 . 1 1 80 80 PRO CB C 13 32.187 0.023 . 1 . . . A 80 PRO CB . 18415 1 1002 . 1 1 80 80 PRO CG C 13 28.233 0.035 . 1 . . . A 80 PRO CG . 18415 1 1003 . 1 1 80 80 PRO CD C 13 51.312 0.009 . 1 . . . A 80 PRO CD . 18415 1 1004 . 1 1 81 81 PHE H H 1 9.015 0.005 . 1 . . . A 81 PHE H . 18415 1 1005 . 1 1 81 81 PHE HA H 1 4.909 0.013 . 1 . . . A 81 PHE HA . 18415 1 1006 . 1 1 81 81 PHE HB2 H 1 2.916 0.002 . 2 . . . A 81 PHE HB2 . 18415 1 1007 . 1 1 81 81 PHE HB3 H 1 3.096 0.006 . 2 . . . A 81 PHE HB3 . 18415 1 1008 . 1 1 81 81 PHE HD1 H 1 7.140 0.005 . 3 . . . A 81 PHE HD1 . 18415 1 1009 . 1 1 81 81 PHE HD2 H 1 7.140 0.005 . 3 . . . A 81 PHE HD2 . 18415 1 1010 . 1 1 81 81 PHE HE1 H 1 7.280 0.008 . 3 . . . A 81 PHE HE1 . 18415 1 1011 . 1 1 81 81 PHE HE2 H 1 7.280 0.008 . 3 . . . A 81 PHE HE2 . 18415 1 1012 . 1 1 81 81 PHE HZ H 1 7.280 0.007 . 1 . . . A 81 PHE HZ . 18415 1 1013 . 1 1 81 81 PHE C C 13 174.853 0.014 . 1 . . . A 81 PHE C . 18415 1 1014 . 1 1 81 81 PHE CA C 13 58.353 0.067 . 1 . . . A 81 PHE CA . 18415 1 1015 . 1 1 81 81 PHE CB C 13 40.019 0.047 . 1 . . . A 81 PHE CB . 18415 1 1016 . 1 1 81 81 PHE CD1 C 13 132.376 0.025 . 3 . . . A 81 PHE CD1 . 18415 1 1017 . 1 1 81 81 PHE CD2 C 13 132.376 0.025 . 3 . . . A 81 PHE CD2 . 18415 1 1018 . 1 1 81 81 PHE CE1 C 13 131.453 0.079 . 3 . . . A 81 PHE CE1 . 18415 1 1019 . 1 1 81 81 PHE CE2 C 13 131.453 0.079 . 3 . . . A 81 PHE CE2 . 18415 1 1020 . 1 1 81 81 PHE CZ C 13 130.890 0.000 . 1 . . . A 81 PHE CZ . 18415 1 1021 . 1 1 81 81 PHE N N 15 125.403 0.028 . 1 . . . A 81 PHE N . 18415 1 1022 . 1 1 82 82 ASN H H 1 8.985 0.005 . 1 . . . A 82 ASN H . 18415 1 1023 . 1 1 82 82 ASN HA H 1 5.055 0.002 . 1 . . . A 82 ASN HA . 18415 1 1024 . 1 1 82 82 ASN HB2 H 1 2.697 0.005 . 2 . . . A 82 ASN HB2 . 18415 1 1025 . 1 1 82 82 ASN HB3 H 1 3.101 0.008 . 2 . . . A 82 ASN HB3 . 18415 1 1026 . 1 1 82 82 ASN HD21 H 1 7.749 0.002 . 1 . . . A 82 ASN HD21 . 18415 1 1027 . 1 1 82 82 ASN HD22 H 1 7.115 0.011 . 1 . . . A 82 ASN HD22 . 18415 1 1028 . 1 1 82 82 ASN C C 13 173.643 0.000 . 1 . . . A 82 ASN C . 18415 1 1029 . 1 1 82 82 ASN CA C 13 48.803 0.021 . 1 . . . A 82 ASN CA . 18415 1 1030 . 1 1 82 82 ASN CB C 13 39.495 0.024 . 1 . . . A 82 ASN CB . 18415 1 1031 . 1 1 82 82 ASN N N 15 129.264 0.029 . 1 . . . A 82 ASN N . 18415 1 1032 . 1 1 82 82 ASN ND2 N 15 111.513 0.034 . 1 . . . A 82 ASN ND2 . 18415 1 1033 . 1 1 83 83 PRO HA H 1 4.003 0.002 . 1 . . . A 83 PRO HA . 18415 1 1034 . 1 1 83 83 PRO HB2 H 1 2.528 0.005 . 2 . . . A 83 PRO HB2 . 18415 1 1035 . 1 1 83 83 PRO HB3 H 1 2.102 0.005 . 2 . . . A 83 PRO HB3 . 18415 1 1036 . 1 1 83 83 PRO HG2 H 1 2.204 0.003 . 2 . . . A 83 PRO HG2 . 18415 1 1037 . 1 1 83 83 PRO HG3 H 1 2.004 0.005 . 2 . . . A 83 PRO HG3 . 18415 1 1038 . 1 1 83 83 PRO HD2 H 1 3.865 0.005 . 2 . . . A 83 PRO HD2 . 18415 1 1039 . 1 1 83 83 PRO HD3 H 1 3.774 0.004 . 2 . . . A 83 PRO HD3 . 18415 1 1040 . 1 1 83 83 PRO C C 13 177.123 0.000 . 1 . . . A 83 PRO C . 18415 1 1041 . 1 1 83 83 PRO CA C 13 63.785 0.020 . 1 . . . A 83 PRO CA . 18415 1 1042 . 1 1 83 83 PRO CB C 13 32.514 0.024 . 1 . . . A 83 PRO CB . 18415 1 1043 . 1 1 83 83 PRO CG C 13 27.069 0.046 . 1 . . . A 83 PRO CG . 18415 1 1044 . 1 1 83 83 PRO CD C 13 51.252 0.011 . 1 . . . A 83 PRO CD . 18415 1 1045 . 1 1 84 84 ARG H H 1 7.697 0.002 . 1 . . . A 84 ARG H . 18415 1 1046 . 1 1 84 84 ARG HA H 1 4.323 0.005 . 1 . . . A 84 ARG HA . 18415 1 1047 . 1 1 84 84 ARG HB2 H 1 1.997 0.004 . 2 . . . A 84 ARG HB2 . 18415 1 1048 . 1 1 84 84 ARG HB3 H 1 1.704 0.007 . 2 . . . A 84 ARG HB3 . 18415 1 1049 . 1 1 84 84 ARG HG2 H 1 1.632 0.005 . 1 . . . A 84 ARG HG2 . 18415 1 1050 . 1 1 84 84 ARG HG3 H 1 1.632 0.005 . 1 . . . A 84 ARG HG3 . 18415 1 1051 . 1 1 84 84 ARG HD2 H 1 3.232 0.002 . 1 . . . A 84 ARG HD2 . 18415 1 1052 . 1 1 84 84 ARG HD3 H 1 3.232 0.002 . 1 . . . A 84 ARG HD3 . 18415 1 1053 . 1 1 84 84 ARG HE H 1 7.252 0.002 . 1 . . . A 84 ARG HE . 18415 1 1054 . 1 1 84 84 ARG C C 13 176.890 0.029 . 1 . . . A 84 ARG C . 18415 1 1055 . 1 1 84 84 ARG CA C 13 56.003 0.019 . 1 . . . A 84 ARG CA . 18415 1 1056 . 1 1 84 84 ARG CB C 13 30.158 0.013 . 1 . . . A 84 ARG CB . 18415 1 1057 . 1 1 84 84 ARG CG C 13 27.659 0.000 . 1 . . . A 84 ARG CG . 18415 1 1058 . 1 1 84 84 ARG CD C 13 43.131 0.014 . 1 . . . A 84 ARG CD . 18415 1 1059 . 1 1 84 84 ARG N N 15 114.801 0.046 . 1 . . . A 84 ARG N . 18415 1 1060 . 1 1 84 84 ARG NE N 15 84.729 0.000 . 1 . . . A 84 ARG NE . 18415 1 1061 . 1 1 85 85 ARG H H 1 7.596 0.003 . 1 . . . A 85 ARG H . 18415 1 1062 . 1 1 85 85 ARG HA H 1 4.305 0.008 . 1 . . . A 85 ARG HA . 18415 1 1063 . 1 1 85 85 ARG HB2 H 1 1.563 0.016 . 2 . . . A 85 ARG HB2 . 18415 1 1064 . 1 1 85 85 ARG HB3 H 1 1.877 0.004 . 2 . . . A 85 ARG HB3 . 18415 1 1065 . 1 1 85 85 ARG HG2 H 1 1.519 0.016 . 1 . . . A 85 ARG HG2 . 18415 1 1066 . 1 1 85 85 ARG HG3 H 1 1.516 0.014 . 1 . . . A 85 ARG HG3 . 18415 1 1067 . 1 1 85 85 ARG HD2 H 1 3.313 0.001 . 2 . . . A 85 ARG HD2 . 18415 1 1068 . 1 1 85 85 ARG HD3 H 1 3.236 0.003 . 2 . . . A 85 ARG HD3 . 18415 1 1069 . 1 1 85 85 ARG HE H 1 7.242 0.002 . 1 . . . A 85 ARG HE . 18415 1 1070 . 1 1 85 85 ARG C C 13 173.017 0.006 . 1 . . . A 85 ARG C . 18415 1 1071 . 1 1 85 85 ARG CA C 13 53.809 0.024 . 1 . . . A 85 ARG CA . 18415 1 1072 . 1 1 85 85 ARG CB C 13 30.040 0.074 . 1 . . . A 85 ARG CB . 18415 1 1073 . 1 1 85 85 ARG CG C 13 27.103 0.000 . 1 . . . A 85 ARG CG . 18415 1 1074 . 1 1 85 85 ARG CD C 13 43.634 0.003 . 1 . . . A 85 ARG CD . 18415 1 1075 . 1 1 85 85 ARG N N 15 123.958 0.033 . 1 . . . A 85 ARG N . 18415 1 1076 . 1 1 85 85 ARG NE N 15 85.274 0.084 . 1 . . . A 85 ARG NE . 18415 1 1077 . 1 1 86 86 VAL H H 1 6.570 0.002 . 1 . . . A 86 VAL H . 18415 1 1078 . 1 1 86 86 VAL HA H 1 3.799 0.004 . 1 . . . A 86 VAL HA . 18415 1 1079 . 1 1 86 86 VAL HB H 1 1.173 0.008 . 1 . . . A 86 VAL HB . 18415 1 1080 . 1 1 86 86 VAL HG11 H 1 0.746 0.004 . 2 . . . A 86 VAL HG11 . 18415 1 1081 . 1 1 86 86 VAL HG12 H 1 0.746 0.004 . 2 . . . A 86 VAL HG12 . 18415 1 1082 . 1 1 86 86 VAL HG13 H 1 0.746 0.004 . 2 . . . A 86 VAL HG13 . 18415 1 1083 . 1 1 86 86 VAL HG21 H 1 0.936 0.005 . 2 . . . A 86 VAL HG21 . 18415 1 1084 . 1 1 86 86 VAL HG22 H 1 0.936 0.005 . 2 . . . A 86 VAL HG22 . 18415 1 1085 . 1 1 86 86 VAL HG23 H 1 0.936 0.005 . 2 . . . A 86 VAL HG23 . 18415 1 1086 . 1 1 86 86 VAL CA C 13 58.266 0.008 . 1 . . . A 86 VAL CA . 18415 1 1087 . 1 1 86 86 VAL CB C 13 34.226 0.029 . 1 . . . A 86 VAL CB . 18415 1 1088 . 1 1 86 86 VAL CG1 C 13 17.988 0.011 . 2 . . . A 86 VAL CG1 . 18415 1 1089 . 1 1 86 86 VAL CG2 C 13 22.444 0.009 . 2 . . . A 86 VAL CG2 . 18415 1 1090 . 1 1 86 86 VAL N N 15 110.039 0.026 . 1 . . . A 86 VAL N . 18415 1 1091 . 1 1 87 87 PHE HA H 1 4.322 0.005 . 1 . . . A 87 PHE HA . 18415 1 1092 . 1 1 87 87 PHE HB2 H 1 2.809 0.008 . 2 . . . A 87 PHE HB2 . 18415 1 1093 . 1 1 87 87 PHE HB3 H 1 0.754 0.009 . 2 . . . A 87 PHE HB3 . 18415 1 1094 . 1 1 87 87 PHE HD1 H 1 6.802 0.006 . 3 . . . A 87 PHE HD1 . 18415 1 1095 . 1 1 87 87 PHE HD2 H 1 6.802 0.006 . 3 . . . A 87 PHE HD2 . 18415 1 1096 . 1 1 87 87 PHE HE1 H 1 6.892 0.004 . 3 . . . A 87 PHE HE1 . 18415 1 1097 . 1 1 87 87 PHE HE2 H 1 6.892 0.004 . 3 . . . A 87 PHE HE2 . 18415 1 1098 . 1 1 87 87 PHE HZ H 1 6.814 0.007 . 1 . . . A 87 PHE HZ . 18415 1 1099 . 1 1 87 87 PHE C C 13 173.471 0.012 . 1 . . . A 87 PHE C . 18415 1 1100 . 1 1 87 87 PHE CA C 13 55.377 0.067 . 1 . . . A 87 PHE CA . 18415 1 1101 . 1 1 87 87 PHE CB C 13 37.384 0.007 . 1 . . . A 87 PHE CB . 18415 1 1102 . 1 1 87 87 PHE CD1 C 13 132.421 0.039 . 3 . . . A 87 PHE CD1 . 18415 1 1103 . 1 1 87 87 PHE CD2 C 13 132.421 0.039 . 3 . . . A 87 PHE CD2 . 18415 1 1104 . 1 1 87 87 PHE CE1 C 13 130.314 0.052 . 3 . . . A 87 PHE CE1 . 18415 1 1105 . 1 1 87 87 PHE CE2 C 13 130.314 0.052 . 3 . . . A 87 PHE CE2 . 18415 1 1106 . 1 1 87 87 PHE CZ C 13 127.824 0.014 . 1 . . . A 87 PHE CZ . 18415 1 1107 . 1 1 88 88 TRP H H 1 6.633 0.002 . 1 . . . A 88 TRP H . 18415 1 1108 . 1 1 88 88 TRP HA H 1 4.802 0.008 . 1 . . . A 88 TRP HA . 18415 1 1109 . 1 1 88 88 TRP HB2 H 1 3.536 0.008 . 2 . . . A 88 TRP HB2 . 18415 1 1110 . 1 1 88 88 TRP HB3 H 1 2.832 0.011 . 2 . . . A 88 TRP HB3 . 18415 1 1111 . 1 1 88 88 TRP HD1 H 1 7.185 0.003 . 1 . . . A 88 TRP HD1 . 18415 1 1112 . 1 1 88 88 TRP HE1 H 1 10.367 0.002 . 1 . . . A 88 TRP HE1 . 18415 1 1113 . 1 1 88 88 TRP HE3 H 1 7.670 0.006 . 1 . . . A 88 TRP HE3 . 18415 1 1114 . 1 1 88 88 TRP HZ2 H 1 6.206 0.009 . 1 . . . A 88 TRP HZ2 . 18415 1 1115 . 1 1 88 88 TRP HZ3 H 1 6.688 0.010 . 1 . . . A 88 TRP HZ3 . 18415 1 1116 . 1 1 88 88 TRP HH2 H 1 5.736 0.005 . 1 . . . A 88 TRP HH2 . 18415 1 1117 . 1 1 88 88 TRP C C 13 179.297 0.002 . 1 . . . A 88 TRP C . 18415 1 1118 . 1 1 88 88 TRP CA C 13 57.237 0.015 . 1 . . . A 88 TRP CA . 18415 1 1119 . 1 1 88 88 TRP CB C 13 31.550 0.030 . 1 . . . A 88 TRP CB . 18415 1 1120 . 1 1 88 88 TRP CD1 C 13 128.239 0.045 . 1 . . . A 88 TRP CD1 . 18415 1 1121 . 1 1 88 88 TRP CE3 C 13 121.685 0.040 . 1 . . . A 88 TRP CE3 . 18415 1 1122 . 1 1 88 88 TRP CZ2 C 13 113.562 0.017 . 1 . . . A 88 TRP CZ2 . 18415 1 1123 . 1 1 88 88 TRP CZ3 C 13 120.724 0.038 . 1 . . . A 88 TRP CZ3 . 18415 1 1124 . 1 1 88 88 TRP CH2 C 13 126.066 0.014 . 1 . . . A 88 TRP CH2 . 18415 1 1125 . 1 1 88 88 TRP N N 15 118.538 0.029 . 1 . . . A 88 TRP N . 18415 1 1126 . 1 1 88 88 TRP NE1 N 15 128.361 0.022 . 1 . . . A 88 TRP NE1 . 18415 1 1127 . 1 1 89 89 HIS H H 1 9.473 0.002 . 1 . . . A 89 HIS H . 18415 1 1128 . 1 1 89 89 HIS HA H 1 4.371 0.004 . 1 . . . A 89 HIS HA . 18415 1 1129 . 1 1 89 89 HIS HB2 H 1 3.294 0.017 . 1 . . . A 89 HIS HB2 . 18415 1 1130 . 1 1 89 89 HIS HB3 H 1 3.294 0.017 . 1 . . . A 89 HIS HB3 . 18415 1 1131 . 1 1 89 89 HIS HD2 H 1 6.757 0.014 . 1 . . . A 89 HIS HD2 . 18415 1 1132 . 1 1 89 89 HIS HE1 H 1 8.405 0.005 . 1 . . . A 89 HIS HE1 . 18415 1 1133 . 1 1 89 89 HIS C C 13 175.621 0.010 . 1 . . . A 89 HIS C . 18415 1 1134 . 1 1 89 89 HIS CA C 13 58.121 0.010 . 1 . . . A 89 HIS CA . 18415 1 1135 . 1 1 89 89 HIS CB C 13 32.712 0.058 . 1 . . . A 89 HIS CB . 18415 1 1136 . 1 1 89 89 HIS CD2 C 13 118.959 0.030 . 1 . . . A 89 HIS CD2 . 18415 1 1137 . 1 1 89 89 HIS CE1 C 13 139.914 0.015 . 1 . . . A 89 HIS CE1 . 18415 1 1138 . 1 1 89 89 HIS N N 15 122.693 0.070 . 1 . . . A 89 HIS N . 18415 1 1139 . 1 1 90 90 LYS H H 1 8.741 0.003 . 1 . . . A 90 LYS H . 18415 1 1140 . 1 1 90 90 LYS HA H 1 4.111 0.004 . 1 . . . A 90 LYS HA . 18415 1 1141 . 1 1 90 90 LYS HB2 H 1 1.847 0.007 . 2 . . . A 90 LYS HB2 . 18415 1 1142 . 1 1 90 90 LYS HB3 H 1 1.785 0.003 . 2 . . . A 90 LYS HB3 . 18415 1 1143 . 1 1 90 90 LYS HG2 H 1 1.521 0.002 . 2 . . . A 90 LYS HG2 . 18415 1 1144 . 1 1 90 90 LYS HG3 H 1 1.461 0.002 . 2 . . . A 90 LYS HG3 . 18415 1 1145 . 1 1 90 90 LYS HD2 H 1 1.710 0.011 . 1 . . . A 90 LYS HD2 . 18415 1 1146 . 1 1 90 90 LYS HD3 H 1 1.710 0.011 . 1 . . . A 90 LYS HD3 . 18415 1 1147 . 1 1 90 90 LYS HE2 H 1 3.001 0.005 . 1 . . . A 90 LYS HE2 . 18415 1 1148 . 1 1 90 90 LYS HE3 H 1 3.001 0.005 . 1 . . . A 90 LYS HE3 . 18415 1 1149 . 1 1 90 90 LYS C C 13 177.228 0.013 . 1 . . . A 90 LYS C . 18415 1 1150 . 1 1 90 90 LYS CA C 13 58.242 0.026 . 1 . . . A 90 LYS CA . 18415 1 1151 . 1 1 90 90 LYS CB C 13 32.482 0.040 . 1 . . . A 90 LYS CB . 18415 1 1152 . 1 1 90 90 LYS CG C 13 24.822 0.034 . 1 . . . A 90 LYS CG . 18415 1 1153 . 1 1 90 90 LYS CD C 13 29.250 0.000 . 1 . . . A 90 LYS CD . 18415 1 1154 . 1 1 90 90 LYS CE C 13 42.083 0.000 . 1 . . . A 90 LYS CE . 18415 1 1155 . 1 1 90 90 LYS N N 15 120.826 0.022 . 1 . . . A 90 LYS N . 18415 1 1156 . 1 1 91 91 ASN H H 1 8.906 0.003 . 1 . . . A 91 ASN H . 18415 1 1157 . 1 1 91 91 ASN HA H 1 4.316 0.005 . 1 . . . A 91 ASN HA . 18415 1 1158 . 1 1 91 91 ASN HB2 H 1 3.125 0.004 . 2 . . . A 91 ASN HB2 . 18415 1 1159 . 1 1 91 91 ASN HB3 H 1 3.003 0.006 . 2 . . . A 91 ASN HB3 . 18415 1 1160 . 1 1 91 91 ASN HD21 H 1 6.909 0.002 . 1 . . . A 91 ASN HD21 . 18415 1 1161 . 1 1 91 91 ASN HD22 H 1 7.625 0.002 . 1 . . . A 91 ASN HD22 . 18415 1 1162 . 1 1 91 91 ASN C C 13 173.391 0.010 . 1 . . . A 91 ASN C . 18415 1 1163 . 1 1 91 91 ASN CA C 13 55.335 0.087 . 1 . . . A 91 ASN CA . 18415 1 1164 . 1 1 91 91 ASN CB C 13 37.385 0.014 . 1 . . . A 91 ASN CB . 18415 1 1165 . 1 1 91 91 ASN N N 15 117.166 0.025 . 1 . . . A 91 ASN N . 18415 1 1166 . 1 1 91 91 ASN ND2 N 15 113.273 0.019 . 1 . . . A 91 ASN ND2 . 18415 1 1167 . 1 1 92 92 GLU H H 1 7.738 0.002 . 1 . . . A 92 GLU H . 18415 1 1168 . 1 1 92 92 GLU HA H 1 4.287 0.017 . 1 . . . A 92 GLU HA . 18415 1 1169 . 1 1 92 92 GLU HB2 H 1 2.513 0.004 . 2 . . . A 92 GLU HB2 . 18415 1 1170 . 1 1 92 92 GLU HB3 H 1 2.278 0.012 . 2 . . . A 92 GLU HB3 . 18415 1 1171 . 1 1 92 92 GLU HG2 H 1 2.247 0.012 . 1 . . . A 92 GLU HG2 . 18415 1 1172 . 1 1 92 92 GLU HG3 H 1 2.241 0.003 . 1 . . . A 92 GLU HG3 . 18415 1 1173 . 1 1 92 92 GLU C C 13 173.188 0.000 . 1 . . . A 92 GLU C . 18415 1 1174 . 1 1 92 92 GLU CA C 13 53.271 0.005 . 1 . . . A 92 GLU CA . 18415 1 1175 . 1 1 92 92 GLU CB C 13 30.454 0.005 . 1 . . . A 92 GLU CB . 18415 1 1176 . 1 1 92 92 GLU CG C 13 36.139 0.024 . 1 . . . A 92 GLU CG . 18415 1 1177 . 1 1 92 92 GLU N N 15 116.991 0.027 . 1 . . . A 92 GLU N . 18415 1 1178 . 1 1 93 93 PRO HG2 H 1 1.830 0.003 . 2 . . . A 93 PRO HG2 . 18415 1 1179 . 1 1 93 93 PRO HG3 H 1 1.697 0.000 . 2 . . . A 93 PRO HG3 . 18415 1 1180 . 1 1 93 93 PRO HD2 H 1 3.512 0.001 . 2 . . . A 93 PRO HD2 . 18415 1 1181 . 1 1 93 93 PRO HD3 H 1 3.442 0.004 . 2 . . . A 93 PRO HD3 . 18415 1 1182 . 1 1 93 93 PRO CG C 13 24.796 0.002 . 1 . . . A 93 PRO CG . 18415 1 1183 . 1 1 93 93 PRO CD C 13 50.159 0.015 . 1 . . . A 93 PRO CD . 18415 1 1184 . 1 1 95 95 ASN HA H 1 4.644 0.005 . 1 . . . A 95 ASN HA . 18415 1 1185 . 1 1 95 95 ASN HB2 H 1 2.713 0.003 . 1 . . . A 95 ASN HB2 . 18415 1 1186 . 1 1 95 95 ASN HB3 H 1 2.713 0.003 . 1 . . . A 95 ASN HB3 . 18415 1 1187 . 1 1 95 95 ASN HD21 H 1 6.680 0.002 . 1 . . . A 95 ASN HD21 . 18415 1 1188 . 1 1 95 95 ASN HD22 H 1 7.408 0.001 . 1 . . . A 95 ASN HD22 . 18415 1 1189 . 1 1 95 95 ASN C C 13 175.699 0.000 . 1 . . . A 95 ASN C . 18415 1 1190 . 1 1 95 95 ASN CA C 13 53.459 0.047 . 1 . . . A 95 ASN CA . 18415 1 1191 . 1 1 95 95 ASN CB C 13 38.725 0.019 . 1 . . . A 95 ASN CB . 18415 1 1192 . 1 1 95 95 ASN ND2 N 15 111.567 0.007 . 1 . . . A 95 ASN ND2 . 18415 1 1193 . 1 1 96 96 SER H H 1 8.118 0.003 . 1 . . . A 96 SER H . 18415 1 1194 . 1 1 96 96 SER HA H 1 4.405 0.006 . 1 . . . A 96 SER HA . 18415 1 1195 . 1 1 96 96 SER HB2 H 1 3.825 0.010 . 2 . . . A 96 SER HB2 . 18415 1 1196 . 1 1 96 96 SER HB3 H 1 3.804 0.009 . 2 . . . A 96 SER HB3 . 18415 1 1197 . 1 1 96 96 SER C C 13 174.831 0.040 . 1 . . . A 96 SER C . 18415 1 1198 . 1 1 96 96 SER CA C 13 58.753 0.021 . 1 . . . A 96 SER CA . 18415 1 1199 . 1 1 96 96 SER CB C 13 64.216 0.028 . 1 . . . A 96 SER CB . 18415 1 1200 . 1 1 96 96 SER N N 15 116.489 0.057 . 1 . . . A 96 SER N . 18415 1 1201 . 1 1 97 97 GLN H H 1 8.371 0.001 . 1 . . . A 97 GLN H . 18415 1 1202 . 1 1 97 97 GLN HA H 1 4.252 0.007 . 1 . . . A 97 GLN HA . 18415 1 1203 . 1 1 97 97 GLN HB2 H 1 2.117 0.008 . 2 . . . A 97 GLN HB2 . 18415 1 1204 . 1 1 97 97 GLN HB3 H 1 1.953 0.003 . 2 . . . A 97 GLN HB3 . 18415 1 1205 . 1 1 97 97 GLN HG2 H 1 2.338 0.007 . 1 . . . A 97 GLN HG2 . 18415 1 1206 . 1 1 97 97 GLN HG3 H 1 2.338 0.007 . 1 . . . A 97 GLN HG3 . 18415 1 1207 . 1 1 97 97 GLN HE21 H 1 7.502 0.000 . 1 . . . A 97 GLN HE21 . 18415 1 1208 . 1 1 97 97 GLN HE22 H 1 6.806 0.003 . 1 . . . A 97 GLN HE22 . 18415 1 1209 . 1 1 97 97 GLN C C 13 176.063 0.004 . 1 . . . A 97 GLN C . 18415 1 1210 . 1 1 97 97 GLN CA C 13 55.957 0.016 . 1 . . . A 97 GLN CA . 18415 1 1211 . 1 1 97 97 GLN CB C 13 29.528 0.031 . 1 . . . A 97 GLN CB . 18415 1 1212 . 1 1 97 97 GLN CG C 13 33.805 0.000 . 1 . . . A 97 GLN CG . 18415 1 1213 . 1 1 97 97 GLN N N 15 121.023 0.026 . 1 . . . A 97 GLN N . 18415 1 1214 . 1 1 97 97 GLN NE2 N 15 112.607 0.026 . 1 . . . A 97 GLN NE2 . 18415 1 1215 . 1 1 98 98 GLY H H 1 8.080 0.005 . 1 . . . A 98 GLY H . 18415 1 1216 . 1 1 98 98 GLY HA2 H 1 4.024 0.005 . 2 . . . A 98 GLY HA2 . 18415 1 1217 . 1 1 98 98 GLY HA3 H 1 3.751 0.008 . 2 . . . A 98 GLY HA3 . 18415 1 1218 . 1 1 98 98 GLY C C 13 172.460 0.012 . 1 . . . A 98 GLY C . 18415 1 1219 . 1 1 98 98 GLY CA C 13 44.936 0.012 . 1 . . . A 98 GLY CA . 18415 1 1220 . 1 1 98 98 GLY N N 15 110.498 0.034 . 1 . . . A 98 GLY N . 18415 1 1221 . 1 1 99 99 GLU H H 1 8.004 0.002 . 1 . . . A 99 GLU H . 18415 1 1222 . 1 1 99 99 GLU HA H 1 4.271 0.006 . 1 . . . A 99 GLU HA . 18415 1 1223 . 1 1 99 99 GLU HB2 H 1 1.937 0.003 . 2 . . . A 99 GLU HB2 . 18415 1 1224 . 1 1 99 99 GLU HB3 H 1 1.856 0.000 . 2 . . . A 99 GLU HB3 . 18415 1 1225 . 1 1 99 99 GLU HG2 H 1 2.318 0.008 . 2 . . . A 99 GLU HG2 . 18415 1 1226 . 1 1 99 99 GLU HG3 H 1 2.237 0.004 . 2 . . . A 99 GLU HG3 . 18415 1 1227 . 1 1 99 99 GLU C C 13 176.605 0.000 . 1 . . . A 99 GLU C . 18415 1 1228 . 1 1 99 99 GLU CA C 13 56.508 0.031 . 1 . . . A 99 GLU CA . 18415 1 1229 . 1 1 99 99 GLU CB C 13 29.469 0.035 . 1 . . . A 99 GLU CB . 18415 1 1230 . 1 1 99 99 GLU CG C 13 36.204 0.000 . 1 . . . A 99 GLU CG . 18415 1 1231 . 1 1 99 99 GLU N N 15 119.919 0.042 . 1 . . . A 99 GLU N . 18415 1 1232 . 1 1 100 100 ASN HA H 1 5.280 0.010 . 1 . . . A 100 ASN HA . 18415 1 1233 . 1 1 100 100 ASN HB2 H 1 2.769 0.011 . 2 . . . A 100 ASN HB2 . 18415 1 1234 . 1 1 100 100 ASN HB3 H 1 2.632 0.002 . 2 . . . A 100 ASN HB3 . 18415 1 1235 . 1 1 100 100 ASN HD21 H 1 7.332 0.002 . 1 . . . A 100 ASN HD21 . 18415 1 1236 . 1 1 100 100 ASN HD22 H 1 6.914 0.003 . 1 . . . A 100 ASN HD22 . 18415 1 1237 . 1 1 100 100 ASN CA C 13 53.381 0.004 . 1 . . . A 100 ASN CA . 18415 1 1238 . 1 1 100 100 ASN CB C 13 41.917 0.013 . 1 . . . A 100 ASN CB . 18415 1 1239 . 1 1 100 100 ASN ND2 N 15 111.188 0.012 . 1 . . . A 100 ASN ND2 . 18415 1 1240 . 1 1 101 101 CYS H H 1 9.707 0.003 . 1 . . . A 101 CYS H . 18415 1 1241 . 1 1 101 101 CYS HA H 1 5.490 0.007 . 1 . . . A 101 CYS HA . 18415 1 1242 . 1 1 101 101 CYS HB2 H 1 2.879 0.009 . 1 . . . A 101 CYS HB2 . 18415 1 1243 . 1 1 101 101 CYS HB3 H 1 2.879 0.009 . 1 . . . A 101 CYS HB3 . 18415 1 1244 . 1 1 101 101 CYS CA C 13 59.338 0.011 . 1 . . . A 101 CYS CA . 18415 1 1245 . 1 1 101 101 CYS CB C 13 43.778 0.018 . 1 . . . A 101 CYS CB . 18415 1 1246 . 1 1 101 101 CYS N N 15 121.118 0.045 . 1 . . . A 101 CYS N . 18415 1 1247 . 1 1 102 102 VAL HA H 1 5.186 0.007 . 1 . . . A 102 VAL HA . 18415 1 1248 . 1 1 102 102 VAL HB H 1 1.549 0.005 . 1 . . . A 102 VAL HB . 18415 1 1249 . 1 1 102 102 VAL HG11 H 1 0.631 0.005 . 2 . . . A 102 VAL HG11 . 18415 1 1250 . 1 1 102 102 VAL HG12 H 1 0.631 0.005 . 2 . . . A 102 VAL HG12 . 18415 1 1251 . 1 1 102 102 VAL HG13 H 1 0.631 0.005 . 2 . . . A 102 VAL HG13 . 18415 1 1252 . 1 1 102 102 VAL HG21 H 1 0.405 0.005 . 2 . . . A 102 VAL HG21 . 18415 1 1253 . 1 1 102 102 VAL HG22 H 1 0.405 0.005 . 2 . . . A 102 VAL HG22 . 18415 1 1254 . 1 1 102 102 VAL HG23 H 1 0.405 0.005 . 2 . . . A 102 VAL HG23 . 18415 1 1255 . 1 1 102 102 VAL C C 13 175.530 0.000 . 1 . . . A 102 VAL C . 18415 1 1256 . 1 1 102 102 VAL CA C 13 63.033 0.038 . 1 . . . A 102 VAL CA . 18415 1 1257 . 1 1 102 102 VAL CB C 13 35.154 0.025 . 1 . . . A 102 VAL CB . 18415 1 1258 . 1 1 102 102 VAL CG1 C 13 25.373 0.029 . 2 . . . A 102 VAL CG1 . 18415 1 1259 . 1 1 102 102 VAL CG2 C 13 22.440 0.011 . 2 . . . A 102 VAL CG2 . 18415 1 1260 . 1 1 103 103 VAL H H 1 8.698 0.001 . 1 . . . A 103 VAL H . 18415 1 1261 . 1 1 103 103 VAL HA H 1 5.348 0.006 . 1 . . . A 103 VAL HA . 18415 1 1262 . 1 1 103 103 VAL HB H 1 1.812 0.006 . 1 . . . A 103 VAL HB . 18415 1 1263 . 1 1 103 103 VAL HG11 H 1 0.902 0.008 . 2 . . . A 103 VAL HG11 . 18415 1 1264 . 1 1 103 103 VAL HG12 H 1 0.902 0.008 . 2 . . . A 103 VAL HG12 . 18415 1 1265 . 1 1 103 103 VAL HG13 H 1 0.902 0.008 . 2 . . . A 103 VAL HG13 . 18415 1 1266 . 1 1 103 103 VAL HG21 H 1 0.489 0.005 . 2 . . . A 103 VAL HG21 . 18415 1 1267 . 1 1 103 103 VAL HG22 H 1 0.489 0.005 . 2 . . . A 103 VAL HG22 . 18415 1 1268 . 1 1 103 103 VAL HG23 H 1 0.489 0.005 . 2 . . . A 103 VAL HG23 . 18415 1 1269 . 1 1 103 103 VAL C C 13 175.136 0.011 . 1 . . . A 103 VAL C . 18415 1 1270 . 1 1 103 103 VAL CA C 13 57.737 0.006 . 1 . . . A 103 VAL CA . 18415 1 1271 . 1 1 103 103 VAL CB C 13 35.134 0.079 . 1 . . . A 103 VAL CB . 18415 1 1272 . 1 1 103 103 VAL CG1 C 13 19.680 0.024 . 2 . . . A 103 VAL CG1 . 18415 1 1273 . 1 1 103 103 VAL CG2 C 13 23.580 0.016 . 2 . . . A 103 VAL CG2 . 18415 1 1274 . 1 1 103 103 VAL N N 15 115.890 0.021 . 1 . . . A 103 VAL N . 18415 1 1275 . 1 1 104 104 LEU H H 1 9.453 0.002 . 1 . . . A 104 LEU H . 18415 1 1276 . 1 1 104 104 LEU HA H 1 4.976 0.010 . 1 . . . A 104 LEU HA . 18415 1 1277 . 1 1 104 104 LEU HB2 H 1 2.017 0.004 . 2 . . . A 104 LEU HB2 . 18415 1 1278 . 1 1 104 104 LEU HB3 H 1 1.503 0.008 . 2 . . . A 104 LEU HB3 . 18415 1 1279 . 1 1 104 104 LEU HG H 1 1.831 0.012 . 1 . . . A 104 LEU HG . 18415 1 1280 . 1 1 104 104 LEU HD11 H 1 0.677 0.005 . 2 . . . A 104 LEU HD11 . 18415 1 1281 . 1 1 104 104 LEU HD12 H 1 0.677 0.005 . 2 . . . A 104 LEU HD12 . 18415 1 1282 . 1 1 104 104 LEU HD13 H 1 0.677 0.005 . 2 . . . A 104 LEU HD13 . 18415 1 1283 . 1 1 104 104 LEU HD21 H 1 0.858 0.007 . 2 . . . A 104 LEU HD21 . 18415 1 1284 . 1 1 104 104 LEU HD22 H 1 0.858 0.007 . 2 . . . A 104 LEU HD22 . 18415 1 1285 . 1 1 104 104 LEU HD23 H 1 0.858 0.007 . 2 . . . A 104 LEU HD23 . 18415 1 1286 . 1 1 104 104 LEU C C 13 176.248 0.000 . 1 . . . A 104 LEU C . 18415 1 1287 . 1 1 104 104 LEU CA C 13 54.993 0.009 . 1 . . . A 104 LEU CA . 18415 1 1288 . 1 1 104 104 LEU CB C 13 44.842 0.040 . 1 . . . A 104 LEU CB . 18415 1 1289 . 1 1 104 104 LEU CG C 13 27.314 0.067 . 1 . . . A 104 LEU CG . 18415 1 1290 . 1 1 104 104 LEU CD1 C 13 25.963 0.009 . 2 . . . A 104 LEU CD1 . 18415 1 1291 . 1 1 104 104 LEU CD2 C 13 24.847 0.051 . 2 . . . A 104 LEU CD2 . 18415 1 1292 . 1 1 104 104 LEU N N 15 124.477 0.031 . 1 . . . A 104 LEU N . 18415 1 1293 . 1 1 105 105 VAL H H 1 9.477 0.002 . 1 . . . A 105 VAL H . 18415 1 1294 . 1 1 105 105 VAL HA H 1 5.015 0.007 . 1 . . . A 105 VAL HA . 18415 1 1295 . 1 1 105 105 VAL HB H 1 2.099 0.007 . 1 . . . A 105 VAL HB . 18415 1 1296 . 1 1 105 105 VAL HG11 H 1 1.034 0.011 . 2 . . . A 105 VAL HG11 . 18415 1 1297 . 1 1 105 105 VAL HG12 H 1 1.034 0.011 . 2 . . . A 105 VAL HG12 . 18415 1 1298 . 1 1 105 105 VAL HG13 H 1 1.034 0.011 . 2 . . . A 105 VAL HG13 . 18415 1 1299 . 1 1 105 105 VAL HG21 H 1 1.012 0.007 . 2 . . . A 105 VAL HG21 . 18415 1 1300 . 1 1 105 105 VAL HG22 H 1 1.012 0.007 . 2 . . . A 105 VAL HG22 . 18415 1 1301 . 1 1 105 105 VAL HG23 H 1 1.012 0.007 . 2 . . . A 105 VAL HG23 . 18415 1 1302 . 1 1 105 105 VAL C C 13 173.635 0.006 . 1 . . . A 105 VAL C . 18415 1 1303 . 1 1 105 105 VAL CA C 13 61.233 0.009 . 1 . . . A 105 VAL CA . 18415 1 1304 . 1 1 105 105 VAL CB C 13 36.634 0.027 . 1 . . . A 105 VAL CB . 18415 1 1305 . 1 1 105 105 VAL CG1 C 13 22.729 0.009 . 2 . . . A 105 VAL CG1 . 18415 1 1306 . 1 1 105 105 VAL CG2 C 13 21.143 0.017 . 2 . . . A 105 VAL CG2 . 18415 1 1307 . 1 1 105 105 VAL N N 15 123.109 0.042 . 1 . . . A 105 VAL N . 18415 1 1308 . 1 1 106 106 TYR H H 1 9.509 0.002 . 1 . . . A 106 TYR H . 18415 1 1309 . 1 1 106 106 TYR HA H 1 4.465 0.014 . 1 . . . A 106 TYR HA . 18415 1 1310 . 1 1 106 106 TYR HB2 H 1 0.298 0.017 . 2 . . . A 106 TYR HB2 . 18415 1 1311 . 1 1 106 106 TYR HB3 H 1 2.576 0.006 . 2 . . . A 106 TYR HB3 . 18415 1 1312 . 1 1 106 106 TYR HD1 H 1 5.801 0.004 . 3 . . . A 106 TYR HD1 . 18415 1 1313 . 1 1 106 106 TYR HD2 H 1 5.801 0.004 . 3 . . . A 106 TYR HD2 . 18415 1 1314 . 1 1 106 106 TYR HE1 H 1 6.472 0.004 . 3 . . . A 106 TYR HE1 . 18415 1 1315 . 1 1 106 106 TYR HE2 H 1 6.472 0.004 . 3 . . . A 106 TYR HE2 . 18415 1 1316 . 1 1 106 106 TYR C C 13 175.009 0.033 . 1 . . . A 106 TYR C . 18415 1 1317 . 1 1 106 106 TYR CA C 13 57.049 0.028 . 1 . . . A 106 TYR CA . 18415 1 1318 . 1 1 106 106 TYR CB C 13 37.951 0.029 . 1 . . . A 106 TYR CB . 18415 1 1319 . 1 1 106 106 TYR CD1 C 13 133.289 0.019 . 3 . . . A 106 TYR CD1 . 18415 1 1320 . 1 1 106 106 TYR CD2 C 13 133.289 0.019 . 3 . . . A 106 TYR CD2 . 18415 1 1321 . 1 1 106 106 TYR CE1 C 13 117.016 0.024 . 3 . . . A 106 TYR CE1 . 18415 1 1322 . 1 1 106 106 TYR CE2 C 13 117.016 0.024 . 3 . . . A 106 TYR CE2 . 18415 1 1323 . 1 1 106 106 TYR N N 15 136.491 0.030 . 1 . . . A 106 TYR N . 18415 1 1324 . 1 1 107 107 ASN H H 1 8.329 0.003 . 1 . . . A 107 ASN H . 18415 1 1325 . 1 1 107 107 ASN HA H 1 4.550 0.009 . 1 . . . A 107 ASN HA . 18415 1 1326 . 1 1 107 107 ASN HB2 H 1 2.262 0.013 . 2 . . . A 107 ASN HB2 . 18415 1 1327 . 1 1 107 107 ASN HB3 H 1 1.891 0.027 . 2 . . . A 107 ASN HB3 . 18415 1 1328 . 1 1 107 107 ASN HD21 H 1 7.236 0.001 . 1 . . . A 107 ASN HD21 . 18415 1 1329 . 1 1 107 107 ASN HD22 H 1 6.727 0.002 . 1 . . . A 107 ASN HD22 . 18415 1 1330 . 1 1 107 107 ASN C C 13 173.919 0.010 . 1 . . . A 107 ASN C . 18415 1 1331 . 1 1 107 107 ASN CA C 13 52.609 0.017 . 1 . . . A 107 ASN CA . 18415 1 1332 . 1 1 107 107 ASN CB C 13 41.010 0.023 . 1 . . . A 107 ASN CB . 18415 1 1333 . 1 1 107 107 ASN N N 15 124.433 0.024 . 1 . . . A 107 ASN N . 18415 1 1334 . 1 1 107 107 ASN ND2 N 15 112.119 0.025 . 1 . . . A 107 ASN ND2 . 18415 1 1335 . 1 1 108 108 GLN H H 1 8.558 0.004 . 1 . . . A 108 GLN H . 18415 1 1336 . 1 1 108 108 GLN HA H 1 3.654 0.007 . 1 . . . A 108 GLN HA . 18415 1 1337 . 1 1 108 108 GLN HB2 H 1 2.147 0.003 . 2 . . . A 108 GLN HB2 . 18415 1 1338 . 1 1 108 108 GLN HB3 H 1 2.054 0.004 . 2 . . . A 108 GLN HB3 . 18415 1 1339 . 1 1 108 108 GLN HG2 H 1 2.234 0.008 . 1 . . . A 108 GLN HG2 . 18415 1 1340 . 1 1 108 108 GLN HG3 H 1 2.234 0.008 . 1 . . . A 108 GLN HG3 . 18415 1 1341 . 1 1 108 108 GLN HE21 H 1 7.458 0.001 . 1 . . . A 108 GLN HE21 . 18415 1 1342 . 1 1 108 108 GLN HE22 H 1 6.726 0.000 . 1 . . . A 108 GLN HE22 . 18415 1 1343 . 1 1 108 108 GLN C C 13 175.060 0.023 . 1 . . . A 108 GLN C . 18415 1 1344 . 1 1 108 108 GLN CA C 13 57.606 0.016 . 1 . . . A 108 GLN CA . 18415 1 1345 . 1 1 108 108 GLN CB C 13 26.264 0.033 . 1 . . . A 108 GLN CB . 18415 1 1346 . 1 1 108 108 GLN CG C 13 33.793 0.000 . 1 . . . A 108 GLN CG . 18415 1 1347 . 1 1 108 108 GLN N N 15 119.681 0.022 . 1 . . . A 108 GLN N . 18415 1 1348 . 1 1 108 108 GLN NE2 N 15 112.179 0.012 . 1 . . . A 108 GLN NE2 . 18415 1 1349 . 1 1 109 109 ASP H H 1 8.199 0.003 . 1 . . . A 109 ASP H . 18415 1 1350 . 1 1 109 109 ASP HA H 1 3.977 0.006 . 1 . . . A 109 ASP HA . 18415 1 1351 . 1 1 109 109 ASP HB2 H 1 2.871 0.009 . 2 . . . A 109 ASP HB2 . 18415 1 1352 . 1 1 109 109 ASP HB3 H 1 2.779 0.004 . 2 . . . A 109 ASP HB3 . 18415 1 1353 . 1 1 109 109 ASP C C 13 174.354 0.008 . 1 . . . A 109 ASP C . 18415 1 1354 . 1 1 109 109 ASP CA C 13 55.199 0.008 . 1 . . . A 109 ASP CA . 18415 1 1355 . 1 1 109 109 ASP CB C 13 40.026 0.028 . 1 . . . A 109 ASP CB . 18415 1 1356 . 1 1 109 109 ASP N N 15 109.712 0.037 . 1 . . . A 109 ASP N . 18415 1 1357 . 1 1 110 110 LYS H H 1 7.081 0.002 . 1 . . . A 110 LYS H . 18415 1 1358 . 1 1 110 110 LYS HA H 1 4.552 0.004 . 1 . . . A 110 LYS HA . 18415 1 1359 . 1 1 110 110 LYS HB2 H 1 1.820 0.005 . 2 . . . A 110 LYS HB2 . 18415 1 1360 . 1 1 110 110 LYS HB3 H 1 1.715 0.004 . 2 . . . A 110 LYS HB3 . 18415 1 1361 . 1 1 110 110 LYS HG2 H 1 1.465 0.005 . 2 . . . A 110 LYS HG2 . 18415 1 1362 . 1 1 110 110 LYS HG3 H 1 1.118 0.006 . 2 . . . A 110 LYS HG3 . 18415 1 1363 . 1 1 110 110 LYS HD2 H 1 1.656 0.004 . 1 . . . A 110 LYS HD2 . 18415 1 1364 . 1 1 110 110 LYS HD3 H 1 1.656 0.004 . 1 . . . A 110 LYS HD3 . 18415 1 1365 . 1 1 110 110 LYS HE2 H 1 2.930 0.002 . 1 . . . A 110 LYS HE2 . 18415 1 1366 . 1 1 110 110 LYS HE3 H 1 2.930 0.002 . 1 . . . A 110 LYS HE3 . 18415 1 1367 . 1 1 110 110 LYS C C 13 174.674 0.014 . 1 . . . A 110 LYS C . 18415 1 1368 . 1 1 110 110 LYS CA C 13 55.469 0.025 . 1 . . . A 110 LYS CA . 18415 1 1369 . 1 1 110 110 LYS CB C 13 35.589 0.017 . 1 . . . A 110 LYS CB . 18415 1 1370 . 1 1 110 110 LYS CG C 13 23.317 0.045 . 1 . . . A 110 LYS CG . 18415 1 1371 . 1 1 110 110 LYS CD C 13 29.307 0.013 . 1 . . . A 110 LYS CD . 18415 1 1372 . 1 1 110 110 LYS CE C 13 42.020 0.000 . 1 . . . A 110 LYS CE . 18415 1 1373 . 1 1 110 110 LYS N N 15 115.590 0.026 . 1 . . . A 110 LYS N . 18415 1 1374 . 1 1 111 111 TRP H H 1 8.650 0.003 . 1 . . . A 111 TRP H . 18415 1 1375 . 1 1 111 111 TRP HA H 1 5.073 0.011 . 1 . . . A 111 TRP HA . 18415 1 1376 . 1 1 111 111 TRP HB2 H 1 2.972 0.014 . 2 . . . A 111 TRP HB2 . 18415 1 1377 . 1 1 111 111 TRP HB3 H 1 3.153 0.007 . 2 . . . A 111 TRP HB3 . 18415 1 1378 . 1 1 111 111 TRP HD1 H 1 7.428 0.004 . 1 . . . A 111 TRP HD1 . 18415 1 1379 . 1 1 111 111 TRP HE1 H 1 10.023 0.003 . 1 . . . A 111 TRP HE1 . 18415 1 1380 . 1 1 111 111 TRP HE3 H 1 7.422 0.006 . 1 . . . A 111 TRP HE3 . 18415 1 1381 . 1 1 111 111 TRP HZ2 H 1 6.947 0.004 . 1 . . . A 111 TRP HZ2 . 18415 1 1382 . 1 1 111 111 TRP HZ3 H 1 7.433 0.012 . 1 . . . A 111 TRP HZ3 . 18415 1 1383 . 1 1 111 111 TRP HH2 H 1 7.641 0.004 . 1 . . . A 111 TRP HH2 . 18415 1 1384 . 1 1 111 111 TRP C C 13 175.920 0.021 . 1 . . . A 111 TRP C . 18415 1 1385 . 1 1 111 111 TRP CA C 13 57.189 0.021 . 1 . . . A 111 TRP CA . 18415 1 1386 . 1 1 111 111 TRP CB C 13 30.869 0.043 . 1 . . . A 111 TRP CB . 18415 1 1387 . 1 1 111 111 TRP CD1 C 13 127.654 0.042 . 1 . . . A 111 TRP CD1 . 18415 1 1388 . 1 1 111 111 TRP CE3 C 13 120.332 0.056 . 1 . . . A 111 TRP CE3 . 18415 1 1389 . 1 1 111 111 TRP CZ2 C 13 114.711 0.040 . 1 . . . A 111 TRP CZ2 . 18415 1 1390 . 1 1 111 111 TRP CZ3 C 13 123.305 0.034 . 1 . . . A 111 TRP CZ3 . 18415 1 1391 . 1 1 111 111 TRP CH2 C 13 127.402 0.018 . 1 . . . A 111 TRP CH2 . 18415 1 1392 . 1 1 111 111 TRP N N 15 122.248 0.045 . 1 . . . A 111 TRP N . 18415 1 1393 . 1 1 111 111 TRP NE1 N 15 128.827 0.040 . 1 . . . A 111 TRP NE1 . 18415 1 1394 . 1 1 112 112 ALA H H 1 8.790 0.001 . 1 . . . A 112 ALA H . 18415 1 1395 . 1 1 112 112 ALA HA H 1 4.168 0.005 . 1 . . . A 112 ALA HA . 18415 1 1396 . 1 1 112 112 ALA HB1 H 1 0.355 0.012 . 1 . . . A 112 ALA HB1 . 18415 1 1397 . 1 1 112 112 ALA HB2 H 1 0.355 0.012 . 1 . . . A 112 ALA HB2 . 18415 1 1398 . 1 1 112 112 ALA HB3 H 1 0.355 0.012 . 1 . . . A 112 ALA HB3 . 18415 1 1399 . 1 1 112 112 ALA C C 13 174.995 0.002 . 1 . . . A 112 ALA C . 18415 1 1400 . 1 1 112 112 ALA CA C 13 52.315 0.006 . 1 . . . A 112 ALA CA . 18415 1 1401 . 1 1 112 112 ALA CB C 13 16.882 0.017 . 1 . . . A 112 ALA CB . 18415 1 1402 . 1 1 112 112 ALA N N 15 124.184 0.034 . 1 . . . A 112 ALA N . 18415 1 1403 . 1 1 113 113 TRP H H 1 8.969 0.002 . 1 . . . A 113 TRP H . 18415 1 1404 . 1 1 113 113 TRP HA H 1 6.156 0.005 . 1 . . . A 113 TRP HA . 18415 1 1405 . 1 1 113 113 TRP HB2 H 1 2.858 0.009 . 1 . . . A 113 TRP HB2 . 18415 1 1406 . 1 1 113 113 TRP HB3 H 1 2.857 0.009 . 1 . . . A 113 TRP HB3 . 18415 1 1407 . 1 1 113 113 TRP HD1 H 1 6.618 0.006 . 1 . . . A 113 TRP HD1 . 18415 1 1408 . 1 1 113 113 TRP HE1 H 1 10.400 0.002 . 1 . . . A 113 TRP HE1 . 18415 1 1409 . 1 1 113 113 TRP HE3 H 1 4.967 0.003 . 1 . . . A 113 TRP HE3 . 18415 1 1410 . 1 1 113 113 TRP HZ2 H 1 7.489 0.005 . 1 . . . A 113 TRP HZ2 . 18415 1 1411 . 1 1 113 113 TRP HZ3 H 1 6.202 0.005 . 1 . . . A 113 TRP HZ3 . 18415 1 1412 . 1 1 113 113 TRP HH2 H 1 7.598 0.004 . 1 . . . A 113 TRP HH2 . 18415 1 1413 . 1 1 113 113 TRP C C 13 177.471 0.010 . 1 . . . A 113 TRP C . 18415 1 1414 . 1 1 113 113 TRP CA C 13 54.615 0.016 . 1 . . . A 113 TRP CA . 18415 1 1415 . 1 1 113 113 TRP CB C 13 32.374 0.081 . 1 . . . A 113 TRP CB . 18415 1 1416 . 1 1 113 113 TRP CD1 C 13 123.035 0.034 . 1 . . . A 113 TRP CD1 . 18415 1 1417 . 1 1 113 113 TRP CE3 C 13 120.338 0.062 . 1 . . . A 113 TRP CE3 . 18415 1 1418 . 1 1 113 113 TRP CZ2 C 13 114.476 0.017 . 1 . . . A 113 TRP CZ2 . 18415 1 1419 . 1 1 113 113 TRP CZ3 C 13 121.028 0.086 . 1 . . . A 113 TRP CZ3 . 18415 1 1420 . 1 1 113 113 TRP CH2 C 13 124.181 0.047 . 1 . . . A 113 TRP CH2 . 18415 1 1421 . 1 1 113 113 TRP N N 15 118.725 0.023 . 1 . . . A 113 TRP N . 18415 1 1422 . 1 1 113 113 TRP NE1 N 15 128.033 0.021 . 1 . . . A 113 TRP NE1 . 18415 1 1423 . 1 1 114 114 ASN H H 1 9.518 0.006 . 1 . . . A 114 ASN H . 18415 1 1424 . 1 1 114 114 ASN HA H 1 5.490 0.006 . 1 . . . A 114 ASN HA . 18415 1 1425 . 1 1 114 114 ASN HB2 H 1 2.786 0.009 . 2 . . . A 114 ASN HB2 . 18415 1 1426 . 1 1 114 114 ASN HB3 H 1 2.631 0.005 . 2 . . . A 114 ASN HB3 . 18415 1 1427 . 1 1 114 114 ASN HD21 H 1 7.356 0.002 . 1 . . . A 114 ASN HD21 . 18415 1 1428 . 1 1 114 114 ASN HD22 H 1 6.220 0.002 . 1 . . . A 114 ASN HD22 . 18415 1 1429 . 1 1 114 114 ASN C C 13 174.708 0.004 . 1 . . . A 114 ASN C . 18415 1 1430 . 1 1 114 114 ASN CA C 13 51.758 0.023 . 1 . . . A 114 ASN CA . 18415 1 1431 . 1 1 114 114 ASN CB C 13 42.018 0.065 . 1 . . . A 114 ASN CB . 18415 1 1432 . 1 1 114 114 ASN N N 15 120.479 0.030 . 1 . . . A 114 ASN N . 18415 1 1433 . 1 1 114 114 ASN ND2 N 15 107.266 0.028 . 1 . . . A 114 ASN ND2 . 18415 1 1434 . 1 1 115 115 ASP H H 1 8.563 0.005 . 1 . . . A 115 ASP H . 18415 1 1435 . 1 1 115 115 ASP HA H 1 5.871 0.010 . 1 . . . A 115 ASP HA . 18415 1 1436 . 1 1 115 115 ASP HB2 H 1 3.053 0.009 . 2 . . . A 115 ASP HB2 . 18415 1 1437 . 1 1 115 115 ASP HB3 H 1 2.827 0.017 . 2 . . . A 115 ASP HB3 . 18415 1 1438 . 1 1 115 115 ASP C C 13 174.291 0.000 . 1 . . . A 115 ASP C . 18415 1 1439 . 1 1 115 115 ASP CA C 13 52.187 0.011 . 1 . . . A 115 ASP CA . 18415 1 1440 . 1 1 115 115 ASP CB C 13 40.504 0.003 . 1 . . . A 115 ASP CB . 18415 1 1441 . 1 1 115 115 ASP N N 15 118.209 0.029 . 1 . . . A 115 ASP N . 18415 1 1442 . 1 1 116 116 VAL H H 1 9.369 0.002 . 1 . . . A 116 VAL H . 18415 1 1443 . 1 1 116 116 VAL HA H 1 4.895 0.013 . 1 . . . A 116 VAL HA . 18415 1 1444 . 1 1 116 116 VAL HB H 1 1.906 0.006 . 1 . . . A 116 VAL HB . 18415 1 1445 . 1 1 116 116 VAL HG11 H 1 0.859 0.003 . 2 . . . A 116 VAL HG11 . 18415 1 1446 . 1 1 116 116 VAL HG12 H 1 0.859 0.003 . 2 . . . A 116 VAL HG12 . 18415 1 1447 . 1 1 116 116 VAL HG13 H 1 0.859 0.003 . 2 . . . A 116 VAL HG13 . 18415 1 1448 . 1 1 116 116 VAL HG21 H 1 0.588 0.005 . 2 . . . A 116 VAL HG21 . 18415 1 1449 . 1 1 116 116 VAL HG22 H 1 0.588 0.005 . 2 . . . A 116 VAL HG22 . 18415 1 1450 . 1 1 116 116 VAL HG23 H 1 0.588 0.005 . 2 . . . A 116 VAL HG23 . 18415 1 1451 . 1 1 116 116 VAL C C 13 172.334 0.000 . 1 . . . A 116 VAL C . 18415 1 1452 . 1 1 116 116 VAL CA C 13 58.281 0.123 . 1 . . . A 116 VAL CA . 18415 1 1453 . 1 1 116 116 VAL CB C 13 34.333 0.058 . 1 . . . A 116 VAL CB . 18415 1 1454 . 1 1 116 116 VAL CG1 C 13 19.203 0.038 . 2 . . . A 116 VAL CG1 . 18415 1 1455 . 1 1 116 116 VAL CG2 C 13 22.622 0.010 . 2 . . . A 116 VAL CG2 . 18415 1 1456 . 1 1 116 116 VAL N N 15 118.669 0.038 . 1 . . . A 116 VAL N . 18415 1 1457 . 1 1 117 117 PRO HA H 1 4.934 0.004 . 1 . . . A 117 PRO HA . 18415 1 1458 . 1 1 117 117 PRO HB2 H 1 2.573 0.003 . 2 . . . A 117 PRO HB2 . 18415 1 1459 . 1 1 117 117 PRO HB3 H 1 2.070 0.011 . 2 . . . A 117 PRO HB3 . 18415 1 1460 . 1 1 117 117 PRO HG2 H 1 2.107 0.010 . 2 . . . A 117 PRO HG2 . 18415 1 1461 . 1 1 117 117 PRO HG3 H 1 2.037 0.006 . 2 . . . A 117 PRO HG3 . 18415 1 1462 . 1 1 117 117 PRO HD2 H 1 3.728 0.003 . 2 . . . A 117 PRO HD2 . 18415 1 1463 . 1 1 117 117 PRO HD3 H 1 3.165 0.008 . 2 . . . A 117 PRO HD3 . 18415 1 1464 . 1 1 117 117 PRO CA C 13 63.076 0.016 . 1 . . . A 117 PRO CA . 18415 1 1465 . 1 1 117 117 PRO CB C 13 32.359 0.009 . 1 . . . A 117 PRO CB . 18415 1 1466 . 1 1 117 117 PRO CG C 13 28.615 0.052 . 1 . . . A 117 PRO CG . 18415 1 1467 . 1 1 117 117 PRO CD C 13 50.432 0.039 . 1 . . . A 117 PRO CD . 18415 1 1468 . 1 1 118 118 CYS HA H 1 4.450 0.004 . 1 . . . A 118 CYS HA . 18415 1 1469 . 1 1 118 118 CYS HB2 H 1 3.181 0.011 . 2 . . . A 118 CYS HB2 . 18415 1 1470 . 1 1 118 118 CYS HB3 H 1 2.857 0.008 . 2 . . . A 118 CYS HB3 . 18415 1 1471 . 1 1 118 118 CYS C C 13 175.583 0.000 . 1 . . . A 118 CYS C . 18415 1 1472 . 1 1 118 118 CYS CA C 13 58.904 0.031 . 1 . . . A 118 CYS CA . 18415 1 1473 . 1 1 118 118 CYS CB C 13 43.841 0.009 . 1 . . . A 118 CYS CB . 18415 1 1474 . 1 1 119 119 ASN H H 1 8.411 0.003 . 1 . . . A 119 ASN H . 18415 1 1475 . 1 1 119 119 ASN HA H 1 4.913 0.006 . 1 . . . A 119 ASN HA . 18415 1 1476 . 1 1 119 119 ASN HB2 H 1 3.156 0.003 . 2 . . . A 119 ASN HB2 . 18415 1 1477 . 1 1 119 119 ASN HB3 H 1 2.965 0.004 . 2 . . . A 119 ASN HB3 . 18415 1 1478 . 1 1 119 119 ASN HD21 H 1 7.636 0.002 . 1 . . . A 119 ASN HD21 . 18415 1 1479 . 1 1 119 119 ASN HD22 H 1 6.900 0.002 . 1 . . . A 119 ASN HD22 . 18415 1 1480 . 1 1 119 119 ASN C C 13 174.849 0.009 . 1 . . . A 119 ASN C . 18415 1 1481 . 1 1 119 119 ASN CA C 13 53.142 0.011 . 1 . . . A 119 ASN CA . 18415 1 1482 . 1 1 119 119 ASN CB C 13 37.076 0.018 . 1 . . . A 119 ASN CB . 18415 1 1483 . 1 1 119 119 ASN N N 15 117.251 0.026 . 1 . . . A 119 ASN N . 18415 1 1484 . 1 1 119 119 ASN ND2 N 15 111.308 0.022 . 1 . . . A 119 ASN ND2 . 18415 1 1485 . 1 1 120 120 PHE H H 1 8.097 0.002 . 1 . . . A 120 PHE H . 18415 1 1486 . 1 1 120 120 PHE HA H 1 4.546 0.005 . 1 . . . A 120 PHE HA . 18415 1 1487 . 1 1 120 120 PHE HB2 H 1 3.599 0.005 . 2 . . . A 120 PHE HB2 . 18415 1 1488 . 1 1 120 120 PHE HB3 H 1 3.240 0.006 . 2 . . . A 120 PHE HB3 . 18415 1 1489 . 1 1 120 120 PHE HD1 H 1 7.178 0.006 . 3 . . . A 120 PHE HD1 . 18415 1 1490 . 1 1 120 120 PHE HD2 H 1 7.178 0.006 . 3 . . . A 120 PHE HD2 . 18415 1 1491 . 1 1 120 120 PHE HE1 H 1 7.346 0.004 . 3 . . . A 120 PHE HE1 . 18415 1 1492 . 1 1 120 120 PHE HE2 H 1 7.346 0.004 . 3 . . . A 120 PHE HE2 . 18415 1 1493 . 1 1 120 120 PHE HZ H 1 7.357 0.002 . 1 . . . A 120 PHE HZ . 18415 1 1494 . 1 1 120 120 PHE C C 13 173.156 0.015 . 1 . . . A 120 PHE C . 18415 1 1495 . 1 1 120 120 PHE CA C 13 58.360 0.016 . 1 . . . A 120 PHE CA . 18415 1 1496 . 1 1 120 120 PHE CB C 13 40.449 0.019 . 1 . . . A 120 PHE CB . 18415 1 1497 . 1 1 120 120 PHE CD1 C 13 131.737 0.040 . 3 . . . A 120 PHE CD1 . 18415 1 1498 . 1 1 120 120 PHE CD2 C 13 131.737 0.040 . 3 . . . A 120 PHE CD2 . 18415 1 1499 . 1 1 120 120 PHE CE1 C 13 131.702 0.018 . 3 . . . A 120 PHE CE1 . 18415 1 1500 . 1 1 120 120 PHE CE2 C 13 131.702 0.018 . 3 . . . A 120 PHE CE2 . 18415 1 1501 . 1 1 120 120 PHE CZ C 13 130.031 0.059 . 1 . . . A 120 PHE CZ . 18415 1 1502 . 1 1 120 120 PHE N N 15 123.415 0.028 . 1 . . . A 120 PHE N . 18415 1 1503 . 1 1 121 121 GLU H H 1 7.012 0.002 . 1 . . . A 121 GLU H . 18415 1 1504 . 1 1 121 121 GLU HA H 1 4.553 0.009 . 1 . . . A 121 GLU HA . 18415 1 1505 . 1 1 121 121 GLU HB2 H 1 1.695 0.007 . 2 . . . A 121 GLU HB2 . 18415 1 1506 . 1 1 121 121 GLU HB3 H 1 1.455 0.009 . 2 . . . A 121 GLU HB3 . 18415 1 1507 . 1 1 121 121 GLU HG2 H 1 2.354 0.010 . 2 . . . A 121 GLU HG2 . 18415 1 1508 . 1 1 121 121 GLU HG3 H 1 2.011 0.013 . 2 . . . A 121 GLU HG3 . 18415 1 1509 . 1 1 121 121 GLU C C 13 174.732 0.006 . 1 . . . A 121 GLU C . 18415 1 1510 . 1 1 121 121 GLU CA C 13 54.588 0.021 . 1 . . . A 121 GLU CA . 18415 1 1511 . 1 1 121 121 GLU CB C 13 30.420 0.052 . 1 . . . A 121 GLU CB . 18415 1 1512 . 1 1 121 121 GLU CG C 13 35.358 0.017 . 1 . . . A 121 GLU CG . 18415 1 1513 . 1 1 121 121 GLU N N 15 119.143 0.042 . 1 . . . A 121 GLU N . 18415 1 1514 . 1 1 122 122 ALA H H 1 8.441 0.004 . 1 . . . A 122 ALA H . 18415 1 1515 . 1 1 122 122 ALA HA H 1 4.471 0.003 . 1 . . . A 122 ALA HA . 18415 1 1516 . 1 1 122 122 ALA HB1 H 1 0.798 0.006 . 1 . . . A 122 ALA HB1 . 18415 1 1517 . 1 1 122 122 ALA HB2 H 1 0.798 0.006 . 1 . . . A 122 ALA HB2 . 18415 1 1518 . 1 1 122 122 ALA HB3 H 1 0.798 0.006 . 1 . . . A 122 ALA HB3 . 18415 1 1519 . 1 1 122 122 ALA C C 13 177.616 0.008 . 1 . . . A 122 ALA C . 18415 1 1520 . 1 1 122 122 ALA CA C 13 51.243 0.015 . 1 . . . A 122 ALA CA . 18415 1 1521 . 1 1 122 122 ALA CB C 13 20.602 0.017 . 1 . . . A 122 ALA CB . 18415 1 1522 . 1 1 122 122 ALA N N 15 125.793 0.039 . 1 . . . A 122 ALA N . 18415 1 1523 . 1 1 123 123 SER H H 1 7.716 0.002 . 1 . . . A 123 SER H . 18415 1 1524 . 1 1 123 123 SER HA H 1 4.522 0.003 . 1 . . . A 123 SER HA . 18415 1 1525 . 1 1 123 123 SER HB2 H 1 4.236 0.007 . 2 . . . A 123 SER HB2 . 18415 1 1526 . 1 1 123 123 SER HB3 H 1 2.941 0.012 . 2 . . . A 123 SER HB3 . 18415 1 1527 . 1 1 123 123 SER C C 13 172.514 0.000 . 1 . . . A 123 SER C . 18415 1 1528 . 1 1 123 123 SER CA C 13 60.661 0.018 . 1 . . . A 123 SER CA . 18415 1 1529 . 1 1 123 123 SER CB C 13 62.943 0.082 . 1 . . . A 123 SER CB . 18415 1 1530 . 1 1 123 123 SER N N 15 115.420 0.027 . 1 . . . A 123 SER N . 18415 1 1531 . 1 1 124 124 ARG H H 1 8.840 0.002 . 1 . . . A 124 ARG H . 18415 1 1532 . 1 1 124 124 ARG HA H 1 5.490 0.005 . 1 . . . A 124 ARG HA . 18415 1 1533 . 1 1 124 124 ARG HB2 H 1 2.369 0.009 . 2 . . . A 124 ARG HB2 . 18415 1 1534 . 1 1 124 124 ARG HB3 H 1 1.641 0.009 . 2 . . . A 124 ARG HB3 . 18415 1 1535 . 1 1 124 124 ARG C C 13 173.779 0.005 . 1 . . . A 124 ARG C . 18415 1 1536 . 1 1 124 124 ARG CA C 13 55.939 0.028 . 1 . . . A 124 ARG CA . 18415 1 1537 . 1 1 124 124 ARG CB C 13 31.925 0.015 . 1 . . . A 124 ARG CB . 18415 1 1538 . 1 1 124 124 ARG N N 15 112.529 0.024 . 1 . . . A 124 ARG N . 18415 1 1539 . 1 1 125 125 ILE H H 1 6.989 0.004 . 1 . . . A 125 ILE H . 18415 1 1540 . 1 1 125 125 ILE HA H 1 4.718 0.005 . 1 . . . A 125 ILE HA . 18415 1 1541 . 1 1 125 125 ILE HB H 1 1.624 0.008 . 1 . . . A 125 ILE HB . 18415 1 1542 . 1 1 125 125 ILE HG12 H 1 1.637 0.015 . 2 . . . A 125 ILE HG12 . 18415 1 1543 . 1 1 125 125 ILE HG13 H 1 0.535 0.008 . 2 . . . A 125 ILE HG13 . 18415 1 1544 . 1 1 125 125 ILE HG21 H 1 0.976 0.010 . 1 . . . A 125 ILE HG21 . 18415 1 1545 . 1 1 125 125 ILE HG22 H 1 0.976 0.010 . 1 . . . A 125 ILE HG22 . 18415 1 1546 . 1 1 125 125 ILE HG23 H 1 0.976 0.010 . 1 . . . A 125 ILE HG23 . 18415 1 1547 . 1 1 125 125 ILE HD11 H 1 0.604 0.005 . 1 . . . A 125 ILE HD11 . 18415 1 1548 . 1 1 125 125 ILE HD12 H 1 0.604 0.005 . 1 . . . A 125 ILE HD12 . 18415 1 1549 . 1 1 125 125 ILE HD13 H 1 0.604 0.005 . 1 . . . A 125 ILE HD13 . 18415 1 1550 . 1 1 125 125 ILE C C 13 175.656 0.052 . 1 . . . A 125 ILE C . 18415 1 1551 . 1 1 125 125 ILE CA C 13 60.836 0.018 . 1 . . . A 125 ILE CA . 18415 1 1552 . 1 1 125 125 ILE CB C 13 41.558 0.044 . 1 . . . A 125 ILE CB . 18415 1 1553 . 1 1 125 125 ILE CG1 C 13 28.289 0.006 . 1 . . . A 125 ILE CG1 . 18415 1 1554 . 1 1 125 125 ILE CG2 C 13 20.056 0.027 . 1 . . . A 125 ILE CG2 . 18415 1 1555 . 1 1 125 125 ILE CD1 C 13 15.810 0.004 . 1 . . . A 125 ILE CD1 . 18415 1 1556 . 1 1 125 125 ILE N N 15 116.525 0.036 . 1 . . . A 125 ILE N . 18415 1 1557 . 1 1 126 126 CYS H H 1 8.288 0.004 . 1 . . . A 126 CYS H . 18415 1 1558 . 1 1 126 126 CYS HA H 1 5.570 0.003 . 1 . . . A 126 CYS HA . 18415 1 1559 . 1 1 126 126 CYS HB2 H 1 2.519 0.009 . 2 . . . A 126 CYS HB2 . 18415 1 1560 . 1 1 126 126 CYS HB3 H 1 3.070 0.006 . 2 . . . A 126 CYS HB3 . 18415 1 1561 . 1 1 126 126 CYS C C 13 173.662 0.013 . 1 . . . A 126 CYS C . 18415 1 1562 . 1 1 126 126 CYS CA C 13 51.840 0.014 . 1 . . . A 126 CYS CA . 18415 1 1563 . 1 1 126 126 CYS CB C 13 39.141 0.032 . 1 . . . A 126 CYS CB . 18415 1 1564 . 1 1 126 126 CYS N N 15 123.910 0.037 . 1 . . . A 126 CYS N . 18415 1 1565 . 1 1 127 127 LYS H H 1 9.681 0.001 . 1 . . . A 127 LYS H . 18415 1 1566 . 1 1 127 127 LYS HA H 1 5.619 0.004 . 1 . . . A 127 LYS HA . 18415 1 1567 . 1 1 127 127 LYS HB2 H 1 2.091 0.012 . 2 . . . A 127 LYS HB2 . 18415 1 1568 . 1 1 127 127 LYS HB3 H 1 1.523 0.011 . 2 . . . A 127 LYS HB3 . 18415 1 1569 . 1 1 127 127 LYS HE2 H 1 2.906 0.017 . 1 . . . A 127 LYS HE2 . 18415 1 1570 . 1 1 127 127 LYS HE3 H 1 2.906 0.017 . 1 . . . A 127 LYS HE3 . 18415 1 1571 . 1 1 127 127 LYS C C 13 174.637 0.022 . 1 . . . A 127 LYS C . 18415 1 1572 . 1 1 127 127 LYS CA C 13 55.235 0.022 . 1 . . . A 127 LYS CA . 18415 1 1573 . 1 1 127 127 LYS CB C 13 38.518 0.015 . 1 . . . A 127 LYS CB . 18415 1 1574 . 1 1 127 127 LYS CE C 13 42.022 0.000 . 1 . . . A 127 LYS CE . 18415 1 1575 . 1 1 127 127 LYS N N 15 124.170 0.027 . 1 . . . A 127 LYS N . 18415 1 1576 . 1 1 128 128 ILE H H 1 9.205 0.001 . 1 . . . A 128 ILE H . 18415 1 1577 . 1 1 128 128 ILE HA H 1 4.900 0.007 . 1 . . . A 128 ILE HA . 18415 1 1578 . 1 1 128 128 ILE HB H 1 1.368 0.001 . 1 . . . A 128 ILE HB . 18415 1 1579 . 1 1 128 128 ILE HG12 H 1 1.523 0.005 . 2 . . . A 128 ILE HG12 . 18415 1 1580 . 1 1 128 128 ILE HG13 H 1 1.039 0.006 . 2 . . . A 128 ILE HG13 . 18415 1 1581 . 1 1 128 128 ILE HG21 H 1 0.474 0.004 . 1 . . . A 128 ILE HG21 . 18415 1 1582 . 1 1 128 128 ILE HG22 H 1 0.474 0.004 . 1 . . . A 128 ILE HG22 . 18415 1 1583 . 1 1 128 128 ILE HG23 H 1 0.474 0.004 . 1 . . . A 128 ILE HG23 . 18415 1 1584 . 1 1 128 128 ILE HD11 H 1 0.213 0.003 . 1 . . . A 128 ILE HD11 . 18415 1 1585 . 1 1 128 128 ILE HD12 H 1 0.213 0.003 . 1 . . . A 128 ILE HD12 . 18415 1 1586 . 1 1 128 128 ILE HD13 H 1 0.213 0.003 . 1 . . . A 128 ILE HD13 . 18415 1 1587 . 1 1 128 128 ILE C C 13 172.463 0.000 . 1 . . . A 128 ILE C . 18415 1 1588 . 1 1 128 128 ILE CA C 13 58.384 0.067 . 1 . . . A 128 ILE CA . 18415 1 1589 . 1 1 128 128 ILE CB C 13 43.888 0.042 . 1 . . . A 128 ILE CB . 18415 1 1590 . 1 1 128 128 ILE CG1 C 13 28.391 0.015 . 1 . . . A 128 ILE CG1 . 18415 1 1591 . 1 1 128 128 ILE CG2 C 13 16.975 0.008 . 1 . . . A 128 ILE CG2 . 18415 1 1592 . 1 1 128 128 ILE CD1 C 13 13.583 0.012 . 1 . . . A 128 ILE CD1 . 18415 1 1593 . 1 1 128 128 ILE N N 15 129.226 0.025 . 1 . . . A 128 ILE N . 18415 1 1594 . 1 1 129 129 PRO HA H 1 4.991 0.003 . 1 . . . A 129 PRO HA . 18415 1 1595 . 1 1 129 129 PRO HB2 H 1 2.386 0.004 . 2 . . . A 129 PRO HB2 . 18415 1 1596 . 1 1 129 129 PRO HB3 H 1 1.981 0.005 . 2 . . . A 129 PRO HB3 . 18415 1 1597 . 1 1 129 129 PRO HG2 H 1 2.152 0.007 . 2 . . . A 129 PRO HG2 . 18415 1 1598 . 1 1 129 129 PRO HG3 H 1 2.006 0.008 . 2 . . . A 129 PRO HG3 . 18415 1 1599 . 1 1 129 129 PRO HD2 H 1 3.950 0.003 . 2 . . . A 129 PRO HD2 . 18415 1 1600 . 1 1 129 129 PRO HD3 H 1 3.754 0.006 . 2 . . . A 129 PRO HD3 . 18415 1 1601 . 1 1 129 129 PRO C C 13 177.954 0.007 . 1 . . . A 129 PRO C . 18415 1 1602 . 1 1 129 129 PRO CA C 13 62.624 0.007 . 1 . . . A 129 PRO CA . 18415 1 1603 . 1 1 129 129 PRO CB C 13 32.501 0.033 . 1 . . . A 129 PRO CB . 18415 1 1604 . 1 1 129 129 PRO CG C 13 27.812 0.023 . 1 . . . A 129 PRO CG . 18415 1 1605 . 1 1 129 129 PRO CD C 13 51.941 0.038 . 1 . . . A 129 PRO CD . 18415 1 1606 . 1 1 130 130 GLY H H 1 8.673 0.001 . 1 . . . A 130 GLY H . 18415 1 1607 . 1 1 130 130 GLY HA2 H 1 4.132 0.006 . 2 . . . A 130 GLY HA2 . 18415 1 1608 . 1 1 130 130 GLY HA3 H 1 3.707 0.006 . 2 . . . A 130 GLY HA3 . 18415 1 1609 . 1 1 130 130 GLY C C 13 175.022 0.001 . 1 . . . A 130 GLY C . 18415 1 1610 . 1 1 130 130 GLY CA C 13 46.256 0.019 . 1 . . . A 130 GLY CA . 18415 1 1611 . 1 1 130 130 GLY N N 15 110.745 0.031 . 1 . . . A 130 GLY N . 18415 1 1612 . 1 1 131 131 THR H H 1 7.870 0.002 . 1 . . . A 131 THR H . 18415 1 1613 . 1 1 131 131 THR HA H 1 4.427 0.005 . 1 . . . A 131 THR HA . 18415 1 1614 . 1 1 131 131 THR HB H 1 4.198 0.004 . 1 . . . A 131 THR HB . 18415 1 1615 . 1 1 131 131 THR HG21 H 1 1.165 0.006 . 1 . . . A 131 THR HG21 . 18415 1 1616 . 1 1 131 131 THR HG22 H 1 1.165 0.006 . 1 . . . A 131 THR HG22 . 18415 1 1617 . 1 1 131 131 THR HG23 H 1 1.165 0.006 . 1 . . . A 131 THR HG23 . 18415 1 1618 . 1 1 131 131 THR C C 13 175.259 0.011 . 1 . . . A 131 THR C . 18415 1 1619 . 1 1 131 131 THR CA C 13 61.500 0.016 . 1 . . . A 131 THR CA . 18415 1 1620 . 1 1 131 131 THR CB C 13 69.998 0.041 . 1 . . . A 131 THR CB . 18415 1 1621 . 1 1 131 131 THR CG2 C 13 21.630 0.013 . 1 . . . A 131 THR CG2 . 18415 1 1622 . 1 1 131 131 THR N N 15 112.246 0.027 . 1 . . . A 131 THR N . 18415 1 1623 . 1 1 132 132 THR H H 1 8.120 0.003 . 1 . . . A 132 THR H . 18415 1 1624 . 1 1 132 132 THR HA H 1 4.281 0.008 . 1 . . . A 132 THR HA . 18415 1 1625 . 1 1 132 132 THR HB H 1 4.200 0.002 . 1 . . . A 132 THR HB . 18415 1 1626 . 1 1 132 132 THR HG21 H 1 1.183 0.007 . 1 . . . A 132 THR HG21 . 18415 1 1627 . 1 1 132 132 THR HG22 H 1 1.183 0.007 . 1 . . . A 132 THR HG22 . 18415 1 1628 . 1 1 132 132 THR HG23 H 1 1.183 0.007 . 1 . . . A 132 THR HG23 . 18415 1 1629 . 1 1 132 132 THR C C 13 174.867 0.015 . 1 . . . A 132 THR C . 18415 1 1630 . 1 1 132 132 THR CA C 13 62.453 0.026 . 1 . . . A 132 THR CA . 18415 1 1631 . 1 1 132 132 THR CB C 13 69.868 0.050 . 1 . . . A 132 THR CB . 18415 1 1632 . 1 1 132 132 THR CG2 C 13 21.816 0.007 . 1 . . . A 132 THR CG2 . 18415 1 1633 . 1 1 132 132 THR N N 15 116.455 0.050 . 1 . . . A 132 THR N . 18415 1 1634 . 1 1 133 133 LEU H H 1 8.117 0.004 . 1 . . . A 133 LEU H . 18415 1 1635 . 1 1 133 133 LEU HA H 1 4.262 0.005 . 1 . . . A 133 LEU HA . 18415 1 1636 . 1 1 133 133 LEU HB2 H 1 1.600 0.001 . 2 . . . A 133 LEU HB2 . 18415 1 1637 . 1 1 133 133 LEU HB3 H 1 1.537 0.006 . 2 . . . A 133 LEU HB3 . 18415 1 1638 . 1 1 133 133 LEU HG H 1 1.539 0.006 . 1 . . . A 133 LEU HG . 18415 1 1639 . 1 1 133 133 LEU HD11 H 1 0.782 0.006 . 2 . . . A 133 LEU HD11 . 18415 1 1640 . 1 1 133 133 LEU HD12 H 1 0.782 0.006 . 2 . . . A 133 LEU HD12 . 18415 1 1641 . 1 1 133 133 LEU HD13 H 1 0.782 0.006 . 2 . . . A 133 LEU HD13 . 18415 1 1642 . 1 1 133 133 LEU HD21 H 1 0.840 0.005 . 2 . . . A 133 LEU HD21 . 18415 1 1643 . 1 1 133 133 LEU HD22 H 1 0.840 0.005 . 2 . . . A 133 LEU HD22 . 18415 1 1644 . 1 1 133 133 LEU HD23 H 1 0.840 0.005 . 2 . . . A 133 LEU HD23 . 18415 1 1645 . 1 1 133 133 LEU C C 13 177.365 0.006 . 1 . . . A 133 LEU C . 18415 1 1646 . 1 1 133 133 LEU CA C 13 55.747 0.018 . 1 . . . A 133 LEU CA . 18415 1 1647 . 1 1 133 133 LEU CB C 13 42.322 0.007 . 1 . . . A 133 LEU CB . 18415 1 1648 . 1 1 133 133 LEU CG C 13 27.083 0.000 . 1 . . . A 133 LEU CG . 18415 1 1649 . 1 1 133 133 LEU CD1 C 13 23.875 0.004 . 2 . . . A 133 LEU CD1 . 18415 1 1650 . 1 1 133 133 LEU CD2 C 13 24.968 0.027 . 2 . . . A 133 LEU CD2 . 18415 1 1651 . 1 1 133 133 LEU N N 15 124.001 0.028 . 1 . . . A 133 LEU N . 18415 1 1652 . 1 1 134 134 ASN H H 1 8.325 0.004 . 1 . . . A 134 ASN H . 18415 1 1653 . 1 1 134 134 ASN HA H 1 4.621 0.006 . 1 . . . A 134 ASN HA . 18415 1 1654 . 1 1 134 134 ASN HB2 H 1 2.807 0.005 . 1 . . . A 134 ASN HB2 . 18415 1 1655 . 1 1 134 134 ASN HB3 H 1 2.806 0.005 . 1 . . . A 134 ASN HB3 . 18415 1 1656 . 1 1 134 134 ASN HD21 H 1 7.594 0.002 . 1 . . . A 134 ASN HD21 . 18415 1 1657 . 1 1 134 134 ASN HD22 H 1 6.937 0.002 . 1 . . . A 134 ASN HD22 . 18415 1 1658 . 1 1 134 134 ASN C C 13 175.725 0.008 . 1 . . . A 134 ASN C . 18415 1 1659 . 1 1 134 134 ASN CA C 13 53.625 0.016 . 1 . . . A 134 ASN CA . 18415 1 1660 . 1 1 134 134 ASN CB C 13 38.836 0.027 . 1 . . . A 134 ASN CB . 18415 1 1661 . 1 1 134 134 ASN N N 15 119.222 0.055 . 1 . . . A 134 ASN N . 18415 1 1662 . 1 1 134 134 ASN ND2 N 15 112.786 0.013 . 1 . . . A 134 ASN ND2 . 18415 1 1663 . 1 1 135 135 ALA H H 1 8.205 0.002 . 1 . . . A 135 ALA H . 18415 1 1664 . 1 1 135 135 ALA HA H 1 4.129 0.003 . 1 . . . A 135 ALA HA . 18415 1 1665 . 1 1 135 135 ALA HB1 H 1 1.396 0.007 . 1 . . . A 135 ALA HB1 . 18415 1 1666 . 1 1 135 135 ALA HB2 H 1 1.396 0.007 . 1 . . . A 135 ALA HB2 . 18415 1 1667 . 1 1 135 135 ALA HB3 H 1 1.396 0.007 . 1 . . . A 135 ALA HB3 . 18415 1 1668 . 1 1 135 135 ALA C C 13 179.061 0.013 . 1 . . . A 135 ALA C . 18415 1 1669 . 1 1 135 135 ALA CA C 13 53.932 0.017 . 1 . . . A 135 ALA CA . 18415 1 1670 . 1 1 135 135 ALA CB C 13 18.939 0.011 . 1 . . . A 135 ALA CB . 18415 1 1671 . 1 1 135 135 ALA N N 15 123.649 0.024 . 1 . . . A 135 ALA N . 18415 1 1672 . 1 1 136 136 GLU H H 1 8.349 0.003 . 1 . . . A 136 GLU H . 18415 1 1673 . 1 1 136 136 GLU HA H 1 4.205 0.010 . 1 . . . A 136 GLU HA . 18415 1 1674 . 1 1 136 136 GLU HB2 H 1 2.046 0.011 . 1 . . . A 136 GLU HB2 . 18415 1 1675 . 1 1 136 136 GLU HB3 H 1 2.046 0.011 . 1 . . . A 136 GLU HB3 . 18415 1 1676 . 1 1 136 136 GLU HG2 H 1 2.313 0.000 . 1 . . . A 136 GLU HG2 . 18415 1 1677 . 1 1 136 136 GLU HG3 H 1 2.313 0.000 . 1 . . . A 136 GLU HG3 . 18415 1 1678 . 1 1 136 136 GLU C C 13 177.504 0.004 . 1 . . . A 136 GLU C . 18415 1 1679 . 1 1 136 136 GLU CA C 13 57.879 0.023 . 1 . . . A 136 GLU CA . 18415 1 1680 . 1 1 136 136 GLU CB C 13 29.646 0.018 . 1 . . . A 136 GLU CB . 18415 1 1681 . 1 1 136 136 GLU N N 15 119.187 0.021 . 1 . . . A 136 GLU N . 18415 1 1682 . 1 1 137 137 ASN H H 1 8.259 0.003 . 1 . . . A 137 ASN H . 18415 1 1683 . 1 1 137 137 ASN HA H 1 4.637 0.004 . 1 . . . A 137 ASN HA . 18415 1 1684 . 1 1 137 137 ASN HB2 H 1 2.839 0.007 . 1 . . . A 137 ASN HB2 . 18415 1 1685 . 1 1 137 137 ASN HB3 H 1 2.839 0.007 . 1 . . . A 137 ASN HB3 . 18415 1 1686 . 1 1 137 137 ASN HD21 H 1 7.647 0.003 . 1 . . . A 137 ASN HD21 . 18415 1 1687 . 1 1 137 137 ASN HD22 H 1 6.909 0.003 . 1 . . . A 137 ASN HD22 . 18415 1 1688 . 1 1 137 137 ASN C C 13 176.785 0.021 . 1 . . . A 137 ASN C . 18415 1 1689 . 1 1 137 137 ASN CA C 13 54.474 0.024 . 1 . . . A 137 ASN CA . 18415 1 1690 . 1 1 137 137 ASN CB C 13 38.709 0.019 . 1 . . . A 137 ASN CB . 18415 1 1691 . 1 1 137 137 ASN N N 15 118.988 0.030 . 1 . . . A 137 ASN N . 18415 1 1692 . 1 1 137 137 ASN ND2 N 15 112.303 0.011 . 1 . . . A 137 ASN ND2 . 18415 1 1693 . 1 1 138 138 LEU H H 1 8.084 0.003 . 1 . . . A 138 LEU H . 18415 1 1694 . 1 1 138 138 LEU HA H 1 4.135 0.004 . 1 . . . A 138 LEU HA . 18415 1 1695 . 1 1 138 138 LEU HB2 H 1 1.609 0.012 . 2 . . . A 138 LEU HB2 . 18415 1 1696 . 1 1 138 138 LEU HB3 H 1 1.458 0.012 . 2 . . . A 138 LEU HB3 . 18415 1 1697 . 1 1 138 138 LEU HG H 1 1.550 0.008 . 1 . . . A 138 LEU HG . 18415 1 1698 . 1 1 138 138 LEU HD11 H 1 0.838 0.009 . 2 . . . A 138 LEU HD11 . 18415 1 1699 . 1 1 138 138 LEU HD12 H 1 0.838 0.009 . 2 . . . A 138 LEU HD12 . 18415 1 1700 . 1 1 138 138 LEU HD13 H 1 0.838 0.009 . 2 . . . A 138 LEU HD13 . 18415 1 1701 . 1 1 138 138 LEU HD21 H 1 0.805 0.010 . 2 . . . A 138 LEU HD21 . 18415 1 1702 . 1 1 138 138 LEU HD22 H 1 0.805 0.010 . 2 . . . A 138 LEU HD22 . 18415 1 1703 . 1 1 138 138 LEU HD23 H 1 0.805 0.010 . 2 . . . A 138 LEU HD23 . 18415 1 1704 . 1 1 138 138 LEU C C 13 178.872 0.025 . 1 . . . A 138 LEU C . 18415 1 1705 . 1 1 138 138 LEU CA C 13 56.927 0.016 . 1 . . . A 138 LEU CA . 18415 1 1706 . 1 1 138 138 LEU CB C 13 42.001 0.015 . 1 . . . A 138 LEU CB . 18415 1 1707 . 1 1 138 138 LEU CG C 13 27.083 0.000 . 1 . . . A 138 LEU CG . 18415 1 1708 . 1 1 138 138 LEU CD1 C 13 24.932 0.038 . 2 . . . A 138 LEU CD1 . 18415 1 1709 . 1 1 138 138 LEU CD2 C 13 23.631 0.023 . 2 . . . A 138 LEU CD2 . 18415 1 1710 . 1 1 138 138 LEU N N 15 121.438 0.026 . 1 . . . A 138 LEU N . 18415 1 1711 . 1 1 139 139 TYR H H 1 8.130 0.003 . 1 . . . A 139 TYR H . 18415 1 1712 . 1 1 139 139 TYR HA H 1 4.286 0.008 . 1 . . . A 139 TYR HA . 18415 1 1713 . 1 1 139 139 TYR HB2 H 1 2.983 0.011 . 1 . . . A 139 TYR HB2 . 18415 1 1714 . 1 1 139 139 TYR HB3 H 1 2.983 0.011 . 1 . . . A 139 TYR HB3 . 18415 1 1715 . 1 1 139 139 TYR HD1 H 1 6.881 0.005 . 3 . . . A 139 TYR HD1 . 18415 1 1716 . 1 1 139 139 TYR HD2 H 1 6.881 0.005 . 3 . . . A 139 TYR HD2 . 18415 1 1717 . 1 1 139 139 TYR HE1 H 1 6.559 0.005 . 3 . . . A 139 TYR HE1 . 18415 1 1718 . 1 1 139 139 TYR HE2 H 1 6.559 0.005 . 3 . . . A 139 TYR HE2 . 18415 1 1719 . 1 1 139 139 TYR C C 13 177.587 0.004 . 1 . . . A 139 TYR C . 18415 1 1720 . 1 1 139 139 TYR CA C 13 60.145 0.025 . 1 . . . A 139 TYR CA . 18415 1 1721 . 1 1 139 139 TYR CB C 13 38.366 0.020 . 1 . . . A 139 TYR CB . 18415 1 1722 . 1 1 139 139 TYR CD1 C 13 133.401 0.021 . 3 . . . A 139 TYR CD1 . 18415 1 1723 . 1 1 139 139 TYR CD2 C 13 133.401 0.021 . 3 . . . A 139 TYR CD2 . 18415 1 1724 . 1 1 139 139 TYR CE1 C 13 118.115 0.020 . 3 . . . A 139 TYR CE1 . 18415 1 1725 . 1 1 139 139 TYR CE2 C 13 118.115 0.020 . 3 . . . A 139 TYR CE2 . 18415 1 1726 . 1 1 139 139 TYR N N 15 120.558 0.033 . 1 . . . A 139 TYR N . 18415 1 1727 . 1 1 140 140 PHE H H 1 8.275 0.004 . 1 . . . A 140 PHE H . 18415 1 1728 . 1 1 140 140 PHE HA H 1 4.355 0.007 . 1 . . . A 140 PHE HA . 18415 1 1729 . 1 1 140 140 PHE HB2 H 1 3.182 0.006 . 2 . . . A 140 PHE HB2 . 18415 1 1730 . 1 1 140 140 PHE HB3 H 1 3.052 0.007 . 2 . . . A 140 PHE HB3 . 18415 1 1731 . 1 1 140 140 PHE HD1 H 1 7.106 0.011 . 3 . . . A 140 PHE HD1 . 18415 1 1732 . 1 1 140 140 PHE HD2 H 1 7.106 0.011 . 3 . . . A 140 PHE HD2 . 18415 1 1733 . 1 1 140 140 PHE HE1 H 1 7.238 0.001 . 3 . . . A 140 PHE HE1 . 18415 1 1734 . 1 1 140 140 PHE HE2 H 1 7.238 0.001 . 3 . . . A 140 PHE HE2 . 18415 1 1735 . 1 1 140 140 PHE HZ H 1 7.168 0.001 . 1 . . . A 140 PHE HZ . 18415 1 1736 . 1 1 140 140 PHE C C 13 177.425 0.007 . 1 . . . A 140 PHE C . 18415 1 1737 . 1 1 140 140 PHE CA C 13 59.630 0.020 . 1 . . . A 140 PHE CA . 18415 1 1738 . 1 1 140 140 PHE CB C 13 39.252 0.011 . 1 . . . A 140 PHE CB . 18415 1 1739 . 1 1 140 140 PHE CD1 C 13 131.921 0.060 . 3 . . . A 140 PHE CD1 . 18415 1 1740 . 1 1 140 140 PHE CD2 C 13 131.921 0.060 . 3 . . . A 140 PHE CD2 . 18415 1 1741 . 1 1 140 140 PHE CE1 C 13 131.627 0.043 . 3 . . . A 140 PHE CE1 . 18415 1 1742 . 1 1 140 140 PHE CE2 C 13 131.627 0.043 . 3 . . . A 140 PHE CE2 . 18415 1 1743 . 1 1 140 140 PHE CZ C 13 130.084 0.007 . 1 . . . A 140 PHE CZ . 18415 1 1744 . 1 1 140 140 PHE N N 15 120.508 0.051 . 1 . . . A 140 PHE N . 18415 1 1745 . 1 1 141 141 GLN H H 1 8.250 0.004 . 1 . . . A 141 GLN H . 18415 1 1746 . 1 1 141 141 GLN HA H 1 4.113 0.010 . 1 . . . A 141 GLN HA . 18415 1 1747 . 1 1 141 141 GLN HB2 H 1 2.110 0.004 . 2 . . . A 141 GLN HB2 . 18415 1 1748 . 1 1 141 141 GLN HB3 H 1 2.023 0.010 . 2 . . . A 141 GLN HB3 . 18415 1 1749 . 1 1 141 141 GLN HG2 H 1 2.394 0.016 . 1 . . . A 141 GLN HG2 . 18415 1 1750 . 1 1 141 141 GLN HG3 H 1 2.394 0.016 . 1 . . . A 141 GLN HG3 . 18415 1 1751 . 1 1 141 141 GLN HE21 H 1 6.851 0.003 . 1 . . . A 141 GLN HE21 . 18415 1 1752 . 1 1 141 141 GLN HE22 H 1 7.458 0.002 . 1 . . . A 141 GLN HE22 . 18415 1 1753 . 1 1 141 141 GLN C C 13 176.976 0.006 . 1 . . . A 141 GLN C . 18415 1 1754 . 1 1 141 141 GLN CA C 13 57.363 0.056 . 1 . . . A 141 GLN CA . 18415 1 1755 . 1 1 141 141 GLN CB C 13 29.028 0.046 . 1 . . . A 141 GLN CB . 18415 1 1756 . 1 1 141 141 GLN CG C 13 33.833 0.000 . 1 . . . A 141 GLN CG . 18415 1 1757 . 1 1 141 141 GLN N N 15 119.274 0.059 . 1 . . . A 141 GLN N . 18415 1 1758 . 1 1 141 141 GLN NE2 N 15 111.637 0.012 . 1 . . . A 141 GLN NE2 . 18415 1 1759 . 1 1 142 142 SER H H 1 7.883 0.002 . 1 . . . A 142 SER H . 18415 1 1760 . 1 1 142 142 SER HA H 1 4.287 0.004 . 1 . . . A 142 SER HA . 18415 1 1761 . 1 1 142 142 SER HB2 H 1 3.785 0.006 . 2 . . . A 142 SER HB2 . 18415 1 1762 . 1 1 142 142 SER HB3 H 1 3.739 0.008 . 2 . . . A 142 SER HB3 . 18415 1 1763 . 1 1 142 142 SER C C 13 174.981 0.001 . 1 . . . A 142 SER C . 18415 1 1764 . 1 1 142 142 SER CA C 13 59.003 0.025 . 1 . . . A 142 SER CA . 18415 1 1765 . 1 1 142 142 SER CB C 13 63.812 0.024 . 1 . . . A 142 SER CB . 18415 1 1766 . 1 1 142 142 SER N N 15 113.008 0.021 . 1 . . . A 142 SER N . 18415 1 1767 . 1 1 143 143 HIS H H 1 8.018 0.003 . 1 . . . . 143 His H . 18415 1 1768 . 1 1 143 143 HIS HA H 1 4.496 0.001 . 1 . . . . 143 His HA . 18415 1 1769 . 1 1 143 143 HIS HB2 H 1 3.033 0.001 . 2 . . . . 143 His HB2 . 18415 1 1770 . 1 1 143 143 HIS HB3 H 1 2.734 0.007 . 2 . . . . 143 His HB3 . 18415 1 1771 . 1 1 143 143 HIS HD2 H 1 6.990 0.000 . 1 . . . . 143 His HD2 . 18415 1 1772 . 1 1 143 143 HIS C C 13 174.397 0.000 . 1 . . . . 143 His C . 18415 1 1773 . 1 1 143 143 HIS CA C 13 56.043 0.025 . 1 . . . . 143 His CA . 18415 1 1774 . 1 1 143 143 HIS CB C 13 28.949 0.084 . 1 . . . . 143 His CB . 18415 1 1775 . 1 1 143 143 HIS N N 15 118.375 0.030 . 1 . . . . 143 His N . 18415 1 1776 . 1 1 148 148 HIS HA H 1 4.636 0.006 . 1 . . . . 148 His HA . 18415 1 1777 . 1 1 148 148 HIS HB2 H 1 3.034 0.003 . 1 . . . . 148 His HB2 . 18415 1 1778 . 1 1 148 148 HIS HB3 H 1 3.034 0.003 . 1 . . . . 148 His HB3 . 18415 1 1779 . 1 1 148 148 HIS C C 13 174.268 0.005 . 1 . . . . 148 His C . 18415 1 1780 . 1 1 148 148 HIS CA C 13 55.709 0.041 . 1 . . . . 148 His CA . 18415 1 1781 . 1 1 148 148 HIS CB C 13 29.358 0.006 . 1 . . . . 148 His CB . 18415 1 1782 . 1 1 149 149 TRP H H 1 8.141 0.001 . 1 . . . . 149 Trp H . 18415 1 1783 . 1 1 149 149 TRP HA H 1 4.664 0.004 . 1 . . . . 149 Trp HA . 18415 1 1784 . 1 1 149 149 TRP HB2 H 1 3.234 0.004 . 2 . . . . 149 Trp HB2 . 18415 1 1785 . 1 1 149 149 TRP HB3 H 1 3.142 0.003 . 2 . . . . 149 Trp HB3 . 18415 1 1786 . 1 1 149 149 TRP HD1 H 1 7.167 0.005 . 1 . . . . 149 Trp HD1 . 18415 1 1787 . 1 1 149 149 TRP HE1 H 1 10.097 0.000 . 1 . . . . 149 Trp HE1 . 18415 1 1788 . 1 1 149 149 TRP HE3 H 1 7.497 0.002 . 1 . . . . 149 Trp HE3 . 18415 1 1789 . 1 1 149 149 TRP HZ2 H 1 7.320 0.006 . 1 . . . . 149 Trp HZ2 . 18415 1 1790 . 1 1 149 149 TRP HZ3 H 1 7.031 0.000 . 1 . . . . 149 Trp HZ3 . 18415 1 1791 . 1 1 149 149 TRP HH2 H 1 7.095 0.007 . 1 . . . . 149 Trp HH2 . 18415 1 1792 . 1 1 149 149 TRP C C 13 176.122 0.017 . 1 . . . . 149 Trp C . 18415 1 1793 . 1 1 149 149 TRP CA C 13 57.129 0.024 . 1 . . . . 149 Trp CA . 18415 1 1794 . 1 1 149 149 TRP CB C 13 29.935 0.054 . 1 . . . . 149 Trp CB . 18415 1 1795 . 1 1 149 149 TRP CD1 C 13 127.203 0.011 . 1 . . . . 149 Trp CD1 . 18415 1 1796 . 1 1 149 149 TRP CE3 C 13 121.053 0.014 . 1 . . . . 149 Trp CE3 . 18415 1 1797 . 1 1 149 149 TRP CZ2 C 13 114.650 0.001 . 1 . . . . 149 Trp CZ2 . 18415 1 1798 . 1 1 149 149 TRP CZ3 C 13 122.204 0.002 . 1 . . . . 149 Trp CZ3 . 18415 1 1799 . 1 1 149 149 TRP CH2 C 13 124.785 0.028 . 1 . . . . 149 Trp CH2 . 18415 1 1800 . 1 1 149 149 TRP N N 15 122.905 0.020 . 1 . . . . 149 Trp N . 18415 1 1801 . 1 1 149 149 TRP NE1 N 15 129.415 0.011 . 1 . . . . 149 Trp NE1 . 18415 1 1802 . 1 1 150 150 SER H H 1 8.231 0.001 . 1 . . . . 150 Ser H . 18415 1 1803 . 1 1 150 150 SER HA H 1 4.331 0.004 . 1 . . . . 150 Ser HA . 18415 1 1804 . 1 1 150 150 SER HB2 H 1 3.702 0.004 . 2 . . . . 150 Ser HB2 . 18415 1 1805 . 1 1 150 150 SER HB3 H 1 3.662 0.000 . 2 . . . . 150 Ser HB3 . 18415 1 1806 . 1 1 150 150 SER C C 13 173.711 0.016 . 1 . . . . 150 Ser C . 18415 1 1807 . 1 1 150 150 SER CA C 13 58.331 0.013 . 1 . . . . 150 Ser CA . 18415 1 1808 . 1 1 150 150 SER CB C 13 63.802 0.025 . 1 . . . . 150 Ser CB . 18415 1 1809 . 1 1 150 150 SER N N 15 117.580 0.056 . 1 . . . . 150 Ser N . 18415 1 1810 . 1 1 151 151 HIS H H 1 8.167 0.002 . 1 . . . . 151 His H . 18415 1 1811 . 1 1 151 151 HIS HA H 1 4.834 0.001 . 1 . . . . 151 His HA . 18415 1 1812 . 1 1 151 151 HIS HB2 H 1 3.139 0.008 . 2 . . . . 151 His HB2 . 18415 1 1813 . 1 1 151 151 HIS HB3 H 1 3.024 0.002 . 2 . . . . 151 His HB3 . 18415 1 1814 . 1 1 151 151 HIS C C 13 172.492 0.000 . 1 . . . . 151 His C . 18415 1 1815 . 1 1 151 151 HIS CA C 13 53.656 0.006 . 1 . . . . 151 His CA . 18415 1 1816 . 1 1 151 151 HIS CB C 13 28.947 0.005 . 1 . . . . 151 His CB . 18415 1 1817 . 1 1 151 151 HIS N N 15 120.167 0.021 . 1 . . . . 151 His N . 18415 1 1818 . 1 1 152 152 PRO HA H 1 4.313 0.003 . 1 . . . . 152 Pro HA . 18415 1 1819 . 1 1 152 152 PRO HB2 H 1 1.765 0.002 . 2 . . . . 152 Pro HB2 . 18415 1 1820 . 1 1 152 152 PRO HB3 H 1 2.200 0.003 . 2 . . . . 152 Pro HB3 . 18415 1 1821 . 1 1 152 152 PRO HG2 H 1 1.945 0.003 . 1 . . . . 152 Pro HG2 . 18415 1 1822 . 1 1 152 152 PRO HG3 H 1 1.946 0.003 . 1 . . . . 152 Pro HG3 . 18415 1 1823 . 1 1 152 152 PRO HD2 H 1 3.688 0.002 . 2 . . . . 152 Pro HD2 . 18415 1 1824 . 1 1 152 152 PRO HD3 H 1 3.497 0.002 . 2 . . . . 152 Pro HD3 . 18415 1 1825 . 1 1 152 152 PRO C C 13 176.941 0.001 . 1 . . . . 152 Pro C . 18415 1 1826 . 1 1 152 152 PRO CA C 13 63.605 0.005 . 1 . . . . 152 Pro CA . 18415 1 1827 . 1 1 152 152 PRO CB C 13 32.251 0.007 . 1 . . . . 152 Pro CB . 18415 1 1828 . 1 1 152 152 PRO CG C 13 27.521 0.008 . 1 . . . . 152 Pro CG . 18415 1 1829 . 1 1 152 152 PRO CD C 13 50.786 0.010 . 1 . . . . 152 Pro CD . 18415 1 1830 . 1 1 153 153 GLN H H 1 8.475 0.001 . 1 . . . . 153 Gln H . 18415 1 1831 . 1 1 153 153 GLN HA H 1 4.189 0.002 . 1 . . . . 153 Gln HA . 18415 1 1832 . 1 1 153 153 GLN HB2 H 1 1.884 0.008 . 2 . . . . 153 Gln HB2 . 18415 1 1833 . 1 1 153 153 GLN HB3 H 1 1.855 0.010 . 2 . . . . 153 Gln HB3 . 18415 1 1834 . 1 1 153 153 GLN HG2 H 1 2.168 0.001 . 2 . . . . 153 Gln HG2 . 18415 1 1835 . 1 1 153 153 GLN HG3 H 1 2.100 0.002 . 2 . . . . 153 Gln HG3 . 18415 1 1836 . 1 1 153 153 GLN HE21 H 1 6.797 0.000 . 1 . . . . 153 Gln HE21 . 18415 1 1837 . 1 1 153 153 GLN HE22 H 1 7.410 0.002 . 1 . . . . 153 Gln HE22 . 18415 1 1838 . 1 1 153 153 GLN C C 13 175.723 0.010 . 1 . . . . 153 Gln C . 18415 1 1839 . 1 1 153 153 GLN CA C 13 56.305 0.012 . 1 . . . . 153 Gln CA . 18415 1 1840 . 1 1 153 153 GLN CB C 13 29.431 0.012 . 1 . . . . 153 Gln CB . 18415 1 1841 . 1 1 153 153 GLN CG C 13 33.683 0.000 . 1 . . . . 153 Gln CG . 18415 1 1842 . 1 1 153 153 GLN N N 15 120.519 0.028 . 1 . . . . 153 Gln N . 18415 1 1843 . 1 1 153 153 GLN NE2 N 15 112.157 0.009 . 1 . . . . 153 Gln NE2 . 18415 1 1844 . 1 1 154 154 PHE H H 1 8.113 0.003 . 1 . . . . 154 Phe H . 18415 1 1845 . 1 1 154 154 PHE HA H 1 4.677 0.004 . 1 . . . . 154 Phe HA . 18415 1 1846 . 1 1 154 154 PHE HB2 H 1 3.192 0.004 . 2 . . . . 154 Phe HB2 . 18415 1 1847 . 1 1 154 154 PHE HB3 H 1 2.998 0.008 . 2 . . . . 154 Phe HB3 . 18415 1 1848 . 1 1 154 154 PHE HD1 H 1 7.225 0.004 . 3 . . . . 154 Phe HD1 . 18415 1 1849 . 1 1 154 154 PHE HD2 H 1 7.225 0.004 . 3 . . . . 154 Phe HD2 . 18415 1 1850 . 1 1 154 154 PHE HE1 H 1 7.293 0.002 . 3 . . . . 154 Phe HE1 . 18415 1 1851 . 1 1 154 154 PHE HE2 H 1 7.293 0.002 . 3 . . . . 154 Phe HE2 . 18415 1 1852 . 1 1 154 154 PHE HZ H 1 7.237 0.000 . 1 . . . . 154 Phe HZ . 18415 1 1853 . 1 1 154 154 PHE C C 13 175.595 0.027 . 1 . . . . 154 Phe C . 18415 1 1854 . 1 1 154 154 PHE CA C 13 57.368 0.013 . 1 . . . . 154 Phe CA . 18415 1 1855 . 1 1 154 154 PHE CB C 13 39.663 0.013 . 1 . . . . 154 Phe CB . 18415 1 1856 . 1 1 154 154 PHE CD1 C 13 131.909 0.086 . 3 . . . . 154 Phe CD1 . 18415 1 1857 . 1 1 154 154 PHE CD2 C 13 131.909 0.086 . 3 . . . . 154 Phe CD2 . 18415 1 1858 . 1 1 154 154 PHE CE1 C 13 131.732 0.048 . 3 . . . . 154 Phe CE1 . 18415 1 1859 . 1 1 154 154 PHE CE2 C 13 131.732 0.048 . 3 . . . . 154 Phe CE2 . 18415 1 1860 . 1 1 154 154 PHE CZ C 13 129.993 0.000 . 1 . . . . 154 Phe CZ . 18415 1 1861 . 1 1 154 154 PHE N N 15 119.769 0.023 . 1 . . . . 154 Phe N . 18415 1 1862 . 1 1 155 155 GLU H H 1 8.213 0.003 . 1 . . . . 155 Glu H . 18415 1 1863 . 1 1 155 155 GLU HA H 1 4.272 0.006 . 1 . . . . 155 Glu HA . 18415 1 1864 . 1 1 155 155 GLU HB2 H 1 2.036 0.000 . 2 . . . . 155 Glu HB2 . 18415 1 1865 . 1 1 155 155 GLU HB3 H 1 1.885 0.004 . 2 . . . . 155 Glu HB3 . 18415 1 1866 . 1 1 155 155 GLU HG2 H 1 2.233 0.008 . 1 . . . . 155 Glu HG2 . 18415 1 1867 . 1 1 155 155 GLU HG3 H 1 2.233 0.008 . 1 . . . . 155 Glu HG3 . 18415 1 1868 . 1 1 155 155 GLU C C 13 175.213 0.012 . 1 . . . . 155 Glu C . 18415 1 1869 . 1 1 155 155 GLU CA C 13 56.535 0.007 . 1 . . . . 155 Glu CA . 18415 1 1870 . 1 1 155 155 GLU CB C 13 30.531 0.172 . 1 . . . . 155 Glu CB . 18415 1 1871 . 1 1 155 155 GLU CG C 13 34.256 0.003 . 1 . . . . 155 Glu CG . 18415 1 1872 . 1 1 155 155 GLU N N 15 122.522 0.019 . 1 . . . . 155 Glu N . 18415 1 1873 . 1 1 156 156 LYS H H 1 7.881 0.002 . 1 . . . . 156 Lys H . 18415 1 1874 . 1 1 156 156 LYS HA H 1 4.128 0.008 . 1 . . . . 156 Lys HA . 18415 1 1875 . 1 1 156 156 LYS HB2 H 1 1.826 0.004 . 2 . . . . 156 Lys HB2 . 18415 1 1876 . 1 1 156 156 LYS HB3 H 1 1.722 0.003 . 2 . . . . 156 Lys HB3 . 18415 1 1877 . 1 1 156 156 LYS HG2 H 1 1.406 0.011 . 1 . . . . 156 Lys HG2 . 18415 1 1878 . 1 1 156 156 LYS HG3 H 1 1.406 0.011 . 1 . . . . 156 Lys HG3 . 18415 1 1879 . 1 1 156 156 LYS HD2 H 1 1.684 0.000 . 1 . . . . 156 Lys HD2 . 18415 1 1880 . 1 1 156 156 LYS HD3 H 1 1.684 0.000 . 1 . . . . 156 Lys HD3 . 18415 1 1881 . 1 1 156 156 LYS HE2 H 1 2.997 0.001 . 1 . . . . 156 Lys HE2 . 18415 1 1882 . 1 1 156 156 LYS HE3 H 1 2.997 0.001 . 1 . . . . 156 Lys HE3 . 18415 1 1883 . 1 1 156 156 LYS C C 13 181.221 0.000 . 1 . . . . 156 Lys C . 18415 1 1884 . 1 1 156 156 LYS CA C 13 57.796 0.014 . 1 . . . . 156 Lys CA . 18415 1 1885 . 1 1 156 156 LYS CB C 13 33.884 0.015 . 1 . . . . 156 Lys CB . 18415 1 1886 . 1 1 156 156 LYS CG C 13 24.833 0.000 . 1 . . . . 156 Lys CG . 18415 1 1887 . 1 1 156 156 LYS CD C 13 29.245 0.000 . 1 . . . . 156 Lys CD . 18415 1 1888 . 1 1 156 156 LYS CE C 13 42.072 0.000 . 1 . . . . 156 Lys CE . 18415 1 1889 . 1 1 156 156 LYS N N 15 126.928 0.025 . 1 . . . . 156 Lys N . 18415 1 stop_ save_