data_4143 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4143 _Entry.Title ; 1H and 15N Resonance Assignment of Neural Cell Adhesion Molecule module 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-05-19 _Entry.Accession_date 1998-05-19 _Entry.Last_release_date 2000-03-02 _Entry.Original_release_date 2000-03-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Peter Jensen . H. . 4143 2 Niels Thomsen . K. . 4143 3 Vladislav Soroka . . . 4143 4 Vladimir Berezin . . . 4143 5 Elisabeth Bock . . . 4143 6 Flemming Poulsen . M. . 4143 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4143 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 97 4143 '1H chemical shifts' 636 4143 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 . . 2000-03-02 1998-05-18 original author . 4143 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4143 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99079126 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Jensen, P. H., Thomsen, N. K., Soroka, V., Berezin, V., Bock, E., and Poulsen, F. M., "1H and 15N Resonance Assignment of Neural Cell Adhesion Molecule Module-2," J. Biomol. NMR. 12, 569-570 (1998). ; _Citation.Title '1H and 15N Resonance Assignment of Neural Cell Adhesion Molecule module 2' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 12 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 569 _Citation.Page_last 570 _Citation.Year 1998 _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 Peter Jensen . H. . 4143 1 2 Niels Thomsen . K. . 4143 1 3 Vladislav Soroka . . . 4143 1 4 Vladimir Berezin . . . 4143 1 5 Elisabeth Bock . . . 4143 1 6 Flemming Poulsen . M. . 4143 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Adhesion 4143 1 Cell 4143 1 M2 4143 1 'Module 2' 4143 1 Molecule 4143 1 NCAM 4143 1 Neural 4143 1 NMR 4143 1 'nuclear magnetic resonance' 4143 1 protein 4143 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NCAM_M2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NCAM_M2 _Assembly.Entry_ID 4143 _Assembly.ID 1 _Assembly.Name 'Neural cell adhesion molecule module 2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4143 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'NCAM M2' 1 $NCAM_M2 . . . native . . . . . 4143 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 . 1 CYS 23 23 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . 4143 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'NCAM M2' abbreviation 4143 1 'Neural cell adhesion molecule module 2' system 4143 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Cell adhesion' 4143 1 'Heterophilic binding' 4143 1 'Homophilic binding' 4143 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NCAM_M2 _Entity.Sf_category entity _Entity.Sf_framecode NCAM_M2 _Entity.Entry_ID 4143 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Neural cell adhesion molecule module 2' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; YVMFKNAPTPQEFKEGEDAV IVCDVVSSLPPTIIWKHKGR DVILKKDVRFIVLSNNYLQI RGIKKTDEGTYRCEGRILAR GEINFKDIQVIV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1EPF . "Crystal Structure Of The Two N-Terminal Immunoglobulin Domains Of The Neural Cell Adhesion Molecule (Ncam)" . . . . . 98.91 191 98.90 100.00 2.35e-57 . . . . 4143 1 2 no PDB 1QZ1 . "Crystal Structure Of The Ig 1-2-3 Fragment Of Ncam" . . . . . 98.91 291 98.90 100.00 1.87e-56 . . . . 4143 1 3 no PDB 3NCM . "Neural Cell Adhesion Molecule, Module 2, Nmr, 20 Structures" . . . . . 100.00 92 100.00 100.00 1.94e-59 . . . . 4143 1 4 no DBJ BAC34554 . "unnamed protein product [Mus musculus]" . . . . . 98.91 839 98.90 100.00 1.07e-53 . . . . 4143 1 5 no DBJ BAC38551 . "unnamed protein product [Mus musculus]" . . . . . 98.91 839 98.90 100.00 1.14e-53 . . . . 4143 1 6 no DBJ BAD92680 . "Neural cell adhesion molecule 1, 120 kDa isoform precursor variant [Homo sapiens]" . . . . . 98.91 807 97.80 100.00 1.65e-53 . . . . 4143 1 7 no DBJ BAF85142 . "unnamed protein product [Homo sapiens]" . . . . . 98.91 858 97.80 100.00 2.50e-53 . . . . 4143 1 8 no EMBL CAA29809 . "unnamed protein product [Rattus norvegicus]" . . . . . 98.91 858 98.90 100.00 1.09e-53 . . . . 4143 1 9 no EMBL CAA33148 . "cell adhesion molecule (AA 1 - 681) (2262 is 1st base in codon) [Mus musculus]" . . . . . 98.91 681 98.90 100.00 5.02e-54 . . . . 4143 1 10 no EMBL CAA34739 . "unnamed protein product [Homo sapiens]" . . . . . 98.91 761 97.80 100.00 5.28e-55 . . . . 4143 1 11 no EMBL CAA68263 . "unnamed protein product [Mus musculus]" . . . . . 98.91 725 98.90 100.00 2.70e-55 . . . . 4143 1 12 no GB AAB04558 . "neural cell adhesion molecule CD56 [Homo sapiens]" . . . . . 98.91 848 97.80 100.00 2.66e-53 . . . . 4143 1 13 no GB AAB31836 . "N-CAM [Homo sapiens]" . . . . . 98.91 848 97.80 100.00 2.61e-53 . . . . 4143 1 14 no GB AAH11310 . "Ncam1 protein [Mus musculus]" . . . . . 98.91 605 97.80 98.90 9.40e-54 . . . . 4143 1 15 no GB AAH29119 . "NCAM1 protein [Homo sapiens]" . . . . . 98.91 364 97.80 100.00 1.30e-55 . . . . 4143 1 16 no GB AAH47244 . "Neural cell adhesion molecule 1 [Homo sapiens]" . . . . . 98.91 858 97.80 100.00 2.42e-53 . . . . 4143 1 17 no REF NP_000606 . "neural cell adhesion molecule 1 isoform 1 precursor [Homo sapiens]" . . . . . 98.91 848 97.80 100.00 2.61e-53 . . . . 4143 1 18 no REF NP_001070150 . "neural cell adhesion molecule 1 isoform 3 precursor [Homo sapiens]" . . . . . 98.91 761 97.80 100.00 5.28e-55 . . . . 4143 1 19 no REF NP_001074914 . "neural cell adhesion molecule 1 isoform 1 precursor [Mus musculus]" . . . . . 98.91 848 98.90 100.00 1.11e-53 . . . . 4143 1 20 no REF NP_001106675 . "neural cell adhesion molecule 1 isoform 3 precursor [Mus musculus]" . . . . . 98.91 1115 98.90 100.00 4.45e-55 . . . . 4143 1 21 no REF NP_001122300 . "neural cell adhesion molecule 1 isoform 1 precursor [Gallus gallus]" . . . . . 98.91 1109 97.80 100.00 2.38e-54 . . . . 4143 1 22 no SP P13591 . "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; AltName: CD_antigen=CD56; Flags: Precursor" . . . . . 98.91 858 97.80 100.00 2.50e-53 . . . . 4143 1 23 no SP P13595 . "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; AltName: CD_antigen=CD56; Flags: Precursor" . . . . . 98.91 1115 98.90 100.00 4.67e-55 . . . . 4143 1 24 no SP P13596 . "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; AltName: CD_antigen=CD56; Flags: Precursor" . . . . . 98.91 858 98.90 100.00 1.09e-53 . . . . 4143 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Cell adhesion' 4143 1 'Heterophilic binding' 4143 1 'Homophilic binding' 4143 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'NCAM M2' abbreviation 4143 1 'Neural cell adhesion molecule module 2' common 4143 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 1 100 TYR . 4143 1 2 101 VAL . 4143 1 3 102 MET . 4143 1 4 103 PHE . 4143 1 5 104 LYS . 4143 1 6 105 ASN . 4143 1 7 106 ALA . 4143 1 8 107 PRO . 4143 1 9 108 THR . 4143 1 10 109 PRO . 4143 1 11 110 GLN . 4143 1 12 111 GLU . 4143 1 13 112 PHE . 4143 1 14 113 LYS . 4143 1 15 114 GLU . 4143 1 16 115 GLY . 4143 1 17 116 GLU . 4143 1 18 117 ASP . 4143 1 19 118 ALA . 4143 1 20 119 VAL . 4143 1 21 120 ILE . 4143 1 22 121 VAL . 4143 1 23 122 CYS . 4143 1 24 123 ASP . 4143 1 25 124 VAL . 4143 1 26 125 VAL . 4143 1 27 126 SER . 4143 1 28 127 SER . 4143 1 29 128 LEU . 4143 1 30 129 PRO . 4143 1 31 130 PRO . 4143 1 32 131 THR . 4143 1 33 132 ILE . 4143 1 34 133 ILE . 4143 1 35 134 TRP . 4143 1 36 135 LYS . 4143 1 37 136 HIS . 4143 1 38 137 LYS . 4143 1 39 138 GLY . 4143 1 40 139 ARG . 4143 1 41 140 ASP . 4143 1 42 141 VAL . 4143 1 43 142 ILE . 4143 1 44 143 LEU . 4143 1 45 144 LYS . 4143 1 46 145 LYS . 4143 1 47 146 ASP . 4143 1 48 147 VAL . 4143 1 49 148 ARG . 4143 1 50 149 PHE . 4143 1 51 150 ILE . 4143 1 52 151 VAL . 4143 1 53 152 LEU . 4143 1 54 153 SER . 4143 1 55 154 ASN . 4143 1 56 155 ASN . 4143 1 57 156 TYR . 4143 1 58 157 LEU . 4143 1 59 158 GLN . 4143 1 60 159 ILE . 4143 1 61 160 ARG . 4143 1 62 161 GLY . 4143 1 63 162 ILE . 4143 1 64 163 LYS . 4143 1 65 164 LYS . 4143 1 66 165 THR . 4143 1 67 166 ASP . 4143 1 68 167 GLU . 4143 1 69 168 GLY . 4143 1 70 169 THR . 4143 1 71 170 TYR . 4143 1 72 171 ARG . 4143 1 73 172 CYS . 4143 1 74 173 GLU . 4143 1 75 174 GLY . 4143 1 76 175 ARG . 4143 1 77 176 ILE . 4143 1 78 177 LEU . 4143 1 79 178 ALA . 4143 1 80 179 ARG . 4143 1 81 180 GLY . 4143 1 82 181 GLU . 4143 1 83 182 ILE . 4143 1 84 183 ASN . 4143 1 85 184 PHE . 4143 1 86 185 LYS . 4143 1 87 186 ASP . 4143 1 88 187 ILE . 4143 1 89 188 GLN . 4143 1 90 189 VAL . 4143 1 91 190 ILE . 4143 1 92 191 VAL . 4143 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 . TYR 1 1 4143 1 . VAL 2 2 4143 1 . MET 3 3 4143 1 . PHE 4 4 4143 1 . LYS 5 5 4143 1 . ASN 6 6 4143 1 . ALA 7 7 4143 1 . PRO 8 8 4143 1 . THR 9 9 4143 1 . PRO 10 10 4143 1 . GLN 11 11 4143 1 . GLU 12 12 4143 1 . PHE 13 13 4143 1 . LYS 14 14 4143 1 . GLU 15 15 4143 1 . GLY 16 16 4143 1 . GLU 17 17 4143 1 . ASP 18 18 4143 1 . ALA 19 19 4143 1 . VAL 20 20 4143 1 . ILE 21 21 4143 1 . VAL 22 22 4143 1 . CYS 23 23 4143 1 . ASP 24 24 4143 1 . VAL 25 25 4143 1 . VAL 26 26 4143 1 . SER 27 27 4143 1 . SER 28 28 4143 1 . LEU 29 29 4143 1 . PRO 30 30 4143 1 . PRO 31 31 4143 1 . THR 32 32 4143 1 . ILE 33 33 4143 1 . ILE 34 34 4143 1 . TRP 35 35 4143 1 . LYS 36 36 4143 1 . HIS 37 37 4143 1 . LYS 38 38 4143 1 . GLY 39 39 4143 1 . ARG 40 40 4143 1 . ASP 41 41 4143 1 . VAL 42 42 4143 1 . ILE 43 43 4143 1 . LEU 44 44 4143 1 . LYS 45 45 4143 1 . LYS 46 46 4143 1 . ASP 47 47 4143 1 . VAL 48 48 4143 1 . ARG 49 49 4143 1 . PHE 50 50 4143 1 . ILE 51 51 4143 1 . VAL 52 52 4143 1 . LEU 53 53 4143 1 . SER 54 54 4143 1 . ASN 55 55 4143 1 . ASN 56 56 4143 1 . TYR 57 57 4143 1 . LEU 58 58 4143 1 . GLN 59 59 4143 1 . ILE 60 60 4143 1 . ARG 61 61 4143 1 . GLY 62 62 4143 1 . ILE 63 63 4143 1 . LYS 64 64 4143 1 . LYS 65 65 4143 1 . THR 66 66 4143 1 . ASP 67 67 4143 1 . GLU 68 68 4143 1 . GLY 69 69 4143 1 . THR 70 70 4143 1 . TYR 71 71 4143 1 . ARG 72 72 4143 1 . CYS 73 73 4143 1 . GLU 74 74 4143 1 . GLY 75 75 4143 1 . ARG 76 76 4143 1 . ILE 77 77 4143 1 . LEU 78 78 4143 1 . ALA 79 79 4143 1 . ARG 80 80 4143 1 . GLY 81 81 4143 1 . GLU 82 82 4143 1 . ILE 83 83 4143 1 . ASN 84 84 4143 1 . PHE 85 85 4143 1 . LYS 86 86 4143 1 . ASP 87 87 4143 1 . ILE 88 88 4143 1 . GLN 89 89 4143 1 . VAL 90 90 4143 1 . ILE 91 91 4143 1 . VAL 92 92 4143 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 4143 _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 $NCAM_M2 . 4922 . . 'Pichia pastoris' fungi . . Eukaryota Fungi Pichia pastoris . . . . . . . . . . . . . . . . . . . . . 4143 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 4143 _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 $NCAM_M2 . 'not reported' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4143 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4143 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Neural cell adhesion molecule module 2' . . . 1 $NCAM_M2 . . 1.0 . . mM . . . . 4143 1 2 H2O . . . . . . . 90 . . % . . . . 4143 1 3 D2O . . . . . . . 10 . . % . . . . 4143 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4143 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . n/a 4143 1 temperature 298 . K 4143 1 stop_ save_ ############################ # Computer software used # ############################ save_software_PRONTO _Software.Sf_category software _Software.Sf_framecode software_PRONTO _Software.Entry_ID 4143 _Software.ID 1 _Software.Name PRONTO _Software.Version 970801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Carlsberg A/S' 'gamle carlsberg vej 10, DK-2500 Valby' fmp@crc.dk 4143 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 4143 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4143 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 4143 _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 unknown unknown . 0 'spectrometer information not available' . . 4143 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 4143 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4143 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct . . . . . . . . . . 4143 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_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4143 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4143 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 TYR H H 1 7.46 . . 1 . . . . . . . . 4143 1 2 . 1 1 1 1 TYR HA H 1 4.20 . . 1 . . . . . . . . 4143 1 3 . 1 1 1 1 TYR HB3 H 1 3.058 . . 1 . . . . . . . . 4143 1 4 . 1 1 1 1 TYR HB2 H 1 3.058 . . 1 . . . . . . . . 4143 1 5 . 1 1 1 1 TYR HD1 H 1 6.880 . . 1 . . . . . . . . 4143 1 6 . 1 1 1 1 TYR HD2 H 1 6.880 . . 1 . . . . . . . . 4143 1 7 . 1 1 1 1 TYR HE1 H 1 6.594 . . 1 . . . . . . . . 4143 1 8 . 1 1 1 1 TYR HE2 H 1 6.594 . . 1 . . . . . . . . 4143 1 9 . 1 1 2 2 VAL H H 1 8.56 . . 1 . . . . . . . . 4143 1 10 . 1 1 2 2 VAL HA H 1 3.94 . . 1 . . . . . . . . 4143 1 11 . 1 1 2 2 VAL HB H 1 1.746 . . 1 . . . . . . . . 4143 1 12 . 1 1 2 2 VAL HG11 H 1 0.395 . . 2 . . . . . . . . 4143 1 13 . 1 1 2 2 VAL HG12 H 1 0.395 . . 2 . . . . . . . . 4143 1 14 . 1 1 2 2 VAL HG13 H 1 0.395 . . 2 . . . . . . . . 4143 1 15 . 1 1 2 2 VAL HG21 H 1 0.601 . . 2 . . . . . . . . 4143 1 16 . 1 1 2 2 VAL HG22 H 1 0.601 . . 2 . . . . . . . . 4143 1 17 . 1 1 2 2 VAL HG23 H 1 0.601 . . 2 . . . . . . . . 4143 1 18 . 1 1 2 2 VAL N N 15 119.925 . . 1 . . . . . . . . 4143 1 19 . 1 1 3 3 MET H H 1 9.01 . . 1 . . . . . . . . 4143 1 20 . 1 1 3 3 MET HA H 1 4.56 . . 1 . . . . . . . . 4143 1 21 . 1 1 3 3 MET HB3 H 1 1.851 . . 2 . . . . . . . . 4143 1 22 . 1 1 3 3 MET HB2 H 1 1.955 . . 2 . . . . . . . . 4143 1 23 . 1 1 3 3 MET HG2 H 1 2.327 . . 1 . . . . . . . . 4143 1 24 . 1 1 3 3 MET HG3 H 1 2.327 . . 1 . . . . . . . . 4143 1 25 . 1 1 3 3 MET N N 15 123.501 . . 1 . . . . . . . . 4143 1 26 . 1 1 4 4 PHE H H 1 8.82 . . 1 . . . . . . . . 4143 1 27 . 1 1 4 4 PHE HB3 H 1 2.841 . . 2 . . . . . . . . 4143 1 28 . 1 1 4 4 PHE HB2 H 1 2.502 . . 2 . . . . . . . . 4143 1 29 . 1 1 4 4 PHE HD1 H 1 6.978 . . 1 . . . . . . . . 4143 1 30 . 1 1 4 4 PHE HD2 H 1 6.978 . . 1 . . . . . . . . 4143 1 31 . 1 1 4 4 PHE HE1 H 1 6.833 . . 1 . . . . . . . . 4143 1 32 . 1 1 4 4 PHE HE2 H 1 6.833 . . 1 . . . . . . . . 4143 1 33 . 1 1 4 4 PHE HZ H 1 6.891 . . 1 . . . . . . . . 4143 1 34 . 1 1 4 4 PHE N N 15 118.987 . . 1 . . . . . . . . 4143 1 35 . 1 1 5 5 LYS H H 1 8.25 . . 1 . . . . . . . . 4143 1 36 . 1 1 5 5 LYS HA H 1 4.15 . . 1 . . . . . . . . 4143 1 37 . 1 1 5 5 LYS HB3 H 1 1.636 . . 2 . . . . . . . . 4143 1 38 . 1 1 5 5 LYS HB2 H 1 1.563 . . 2 . . . . . . . . 4143 1 39 . 1 1 5 5 LYS HG2 H 1 1.367 . . 2 . . . . . . . . 4143 1 40 . 1 1 5 5 LYS HG3 H 1 1.260 . . 2 . . . . . . . . 4143 1 41 . 1 1 5 5 LYS HE2 H 1 2.926 . . 2 . . . . . . . . 4143 1 42 . 1 1 5 5 LYS HE3 H 1 2.883 . . 2 . . . . . . . . 4143 1 43 . 1 1 5 5 LYS N N 15 124.935 . . 1 . . . . . . . . 4143 1 44 . 1 1 6 6 ASN H H 1 7.47 . . 1 . . . . . . . . 4143 1 45 . 1 1 6 6 ASN HB3 H 1 3.009 . . 2 . . . . . . . . 4143 1 46 . 1 1 6 6 ASN HB2 H 1 2.797 . . 2 . . . . . . . . 4143 1 47 . 1 1 6 6 ASN HD21 H 1 7.696 . . 2 . . . . . . . . 4143 1 48 . 1 1 6 6 ASN HD22 H 1 6.899 . . 2 . . . . . . . . 4143 1 49 . 1 1 6 6 ASN N N 15 111.064 . . 1 . . . . . . . . 4143 1 50 . 1 1 6 6 ASN ND2 N 15 111.628 . . 1 . . . . . . . . 4143 1 51 . 1 1 8 8 PRO HA H 1 4.32 . . 1 . . . . . . . . 4143 1 52 . 1 1 8 8 PRO HB3 H 1 2.261 . . 1 . . . . . . . . 4143 1 53 . 1 1 8 8 PRO HB2 H 1 2.261 . . 1 . . . . . . . . 4143 1 54 . 1 1 8 8 PRO HG2 H 1 1.802 . . 2 . . . . . . . . 4143 1 55 . 1 1 8 8 PRO HG3 H 1 1.916 . . 2 . . . . . . . . 4143 1 56 . 1 1 8 8 PRO HD2 H 1 3.324 . . 1 . . . . . . . . 4143 1 57 . 1 1 8 8 PRO HD3 H 1 3.324 . . 1 . . . . . . . . 4143 1 58 . 1 1 9 9 THR H H 1 8.07 . . 1 . . . . . . . . 4143 1 59 . 1 1 9 9 THR HA H 1 6.18 . . 1 . . . . . . . . 4143 1 60 . 1 1 9 9 THR HB H 1 4.253 . . 1 . . . . . . . . 4143 1 61 . 1 1 9 9 THR HG21 H 1 1.372 . . 1 . . . . . . . . 4143 1 62 . 1 1 9 9 THR HG22 H 1 1.372 . . 1 . . . . . . . . 4143 1 63 . 1 1 9 9 THR HG23 H 1 1.372 . . 1 . . . . . . . . 4143 1 64 . 1 1 9 9 THR N N 15 110.482 . . 1 . . . . . . . . 4143 1 65 . 1 1 10 10 PRO HA H 1 5.67 . . 1 . . . . . . . . 4143 1 66 . 1 1 10 10 PRO HB3 H 1 2.268 . . 2 . . . . . . . . 4143 1 67 . 1 1 10 10 PRO HB2 H 1 1.741 . . 2 . . . . . . . . 4143 1 68 . 1 1 10 10 PRO HG2 H 1 1.785 . . 2 . . . . . . . . 4143 1 69 . 1 1 10 10 PRO HG3 H 1 1.863 . . 2 . . . . . . . . 4143 1 70 . 1 1 10 10 PRO HD2 H 1 3.598 . . 2 . . . . . . . . 4143 1 71 . 1 1 10 10 PRO HD3 H 1 3.559 . . 2 . . . . . . . . 4143 1 72 . 1 1 11 11 GLN H H 1 9.00 . . 1 . . . . . . . . 4143 1 73 . 1 1 11 11 GLN HA H 1 4.35 . . 1 . . . . . . . . 4143 1 74 . 1 1 11 11 GLN HB3 H 1 1.531 . . 1 . . . . . . . . 4143 1 75 . 1 1 11 11 GLN HB2 H 1 1.531 . . 1 . . . . . . . . 4143 1 76 . 1 1 11 11 GLN HG2 H 1 2.090 . . 1 . . . . . . . . 4143 1 77 . 1 1 11 11 GLN HG3 H 1 2.090 . . 1 . . . . . . . . 4143 1 78 . 1 1 11 11 GLN HE21 H 1 7.396 . . 2 . . . . . . . . 4143 1 79 . 1 1 11 11 GLN HE22 H 1 6.849 . . 2 . . . . . . . . 4143 1 80 . 1 1 11 11 GLN N N 15 117.776 . . 1 . . . . . . . . 4143 1 81 . 1 1 11 11 GLN NE2 N 15 111.449 . . 1 . . . . . . . . 4143 1 82 . 1 1 12 12 GLU H H 1 7.83 . . 1 . . . . . . . . 4143 1 83 . 1 1 12 12 GLU HA H 1 5.16 . . 1 . . . . . . . . 4143 1 84 . 1 1 12 12 GLU HB3 H 1 1.584 . . 2 . . . . . . . . 4143 1 85 . 1 1 12 12 GLU HB2 H 1 1.656 . . 2 . . . . . . . . 4143 1 86 . 1 1 12 12 GLU HG2 H 1 1.888 . . 1 . . . . . . . . 4143 1 87 . 1 1 12 12 GLU HG3 H 1 1.888 . . 1 . . . . . . . . 4143 1 88 . 1 1 12 12 GLU N N 15 120.227 . . 1 . . . . . . . . 4143 1 89 . 1 1 13 13 PHE H H 1 8.64 . . 1 . . . . . . . . 4143 1 90 . 1 1 13 13 PHE HB3 H 1 3.188 . . 2 . . . . . . . . 4143 1 91 . 1 1 13 13 PHE HB2 H 1 2.227 . . 2 . . . . . . . . 4143 1 92 . 1 1 13 13 PHE HD1 H 1 7.078 . . 1 . . . . . . . . 4143 1 93 . 1 1 13 13 PHE HD2 H 1 7.078 . . 1 . . . . . . . . 4143 1 94 . 1 1 13 13 PHE HE1 H 1 6.776 . . 1 . . . . . . . . 4143 1 95 . 1 1 13 13 PHE HE2 H 1 6.776 . . 1 . . . . . . . . 4143 1 96 . 1 1 13 13 PHE N N 15 118.558 . . 1 . . . . . . . . 4143 1 97 . 1 1 14 14 LYS H H 1 9.07 . . 1 . . . . . . . . 4143 1 98 . 1 1 14 14 LYS HA H 1 4.65 . . 1 . . . . . . . . 4143 1 99 . 1 1 14 14 LYS HB3 H 1 1.727 . . 1 . . . . . . . . 4143 1 100 . 1 1 14 14 LYS HB2 H 1 1.727 . . 1 . . . . . . . . 4143 1 101 . 1 1 14 14 LYS HG2 H 1 1.451 . . 2 . . . . . . . . 4143 1 102 . 1 1 14 14 LYS HG3 H 1 1.609 . . 2 . . . . . . . . 4143 1 103 . 1 1 14 14 LYS HD2 H 1 1.658 . . 1 . . . . . . . . 4143 1 104 . 1 1 14 14 LYS HD3 H 1 1.658 . . 1 . . . . . . . . 4143 1 105 . 1 1 14 14 LYS HE2 H 1 2.972 . . 1 . . . . . . . . 4143 1 106 . 1 1 14 14 LYS HE3 H 1 2.972 . . 1 . . . . . . . . 4143 1 107 . 1 1 14 14 LYS N N 15 120.627 . . 1 . . . . . . . . 4143 1 108 . 1 1 15 15 GLU H H 1 8.52 . . 1 . . . . . . . . 4143 1 109 . 1 1 15 15 GLU HA H 1 3.54 . . 1 . . . . . . . . 4143 1 110 . 1 1 15 15 GLU HB3 H 1 1.927 . . 1 . . . . . . . . 4143 1 111 . 1 1 15 15 GLU HB2 H 1 1.927 . . 1 . . . . . . . . 4143 1 112 . 1 1 15 15 GLU HG2 H 1 1.765 . . 2 . . . . . . . . 4143 1 113 . 1 1 15 15 GLU HG3 H 1 2.262 . . 2 . . . . . . . . 4143 1 114 . 1 1 15 15 GLU N N 15 121.372 . . 1 . . . . . . . . 4143 1 115 . 1 1 16 16 GLY H H 1 9.62 . . 1 . . . . . . . . 4143 1 116 . 1 1 16 16 GLY HA2 H 1 4.34 . . 2 . . . . . . . . 4143 1 117 . 1 1 16 16 GLY HA3 H 1 3.38 . . 2 . . . . . . . . 4143 1 118 . 1 1 16 16 GLY N N 15 113.408 . . 1 . . . . . . . . 4143 1 119 . 1 1 17 17 GLU H H 1 8.03 . . 1 . . . . . . . . 4143 1 120 . 1 1 17 17 GLU HA H 1 4.32 . . 1 . . . . . . . . 4143 1 121 . 1 1 17 17 GLU HB3 H 1 2.256 . . 2 . . . . . . . . 4143 1 122 . 1 1 17 17 GLU HB2 H 1 1.975 . . 2 . . . . . . . . 4143 1 123 . 1 1 17 17 GLU HG2 H 1 2.408 . . 2 . . . . . . . . 4143 1 124 . 1 1 17 17 GLU HG3 H 1 2.177 . . 2 . . . . . . . . 4143 1 125 . 1 1 17 17 GLU N N 15 119.268 . . 1 . . . . . . . . 4143 1 126 . 1 1 18 18 ASP H H 1 8.50 . . 1 . . . . . . . . 4143 1 127 . 1 1 18 18 ASP HA H 1 5.12 . . 1 . . . . . . . . 4143 1 128 . 1 1 18 18 ASP HB3 H 1 2.124 . . 2 . . . . . . . . 4143 1 129 . 1 1 18 18 ASP HB2 H 1 2.616 . . 2 . . . . . . . . 4143 1 130 . 1 1 18 18 ASP N N 15 119.414 . . 1 . . . . . . . . 4143 1 131 . 1 1 19 19 ALA H H 1 8.00 . . 1 . . . . . . . . 4143 1 132 . 1 1 19 19 ALA HA H 1 3.65 . . 1 . . . . . . . . 4143 1 133 . 1 1 19 19 ALA HB1 H 1 -0.097 . . 1 . . . . . . . . 4143 1 134 . 1 1 19 19 ALA HB2 H 1 -0.097 . . 1 . . . . . . . . 4143 1 135 . 1 1 19 19 ALA HB3 H 1 -0.097 . . 1 . . . . . . . . 4143 1 136 . 1 1 19 19 ALA N N 15 123.723 . . 1 . . . . . . . . 4143 1 137 . 1 1 20 20 VAL H H 1 7.18 . . 1 . . . . . . . . 4143 1 138 . 1 1 20 20 VAL HA H 1 4.27 . . 1 . . . . . . . . 4143 1 139 . 1 1 20 20 VAL HB H 1 1.888 . . 1 . . . . . . . . 4143 1 140 . 1 1 20 20 VAL HG11 H 1 0.832 . . 2 . . . . . . . . 4143 1 141 . 1 1 20 20 VAL HG12 H 1 0.832 . . 2 . . . . . . . . 4143 1 142 . 1 1 20 20 VAL HG13 H 1 0.832 . . 2 . . . . . . . . 4143 1 143 . 1 1 20 20 VAL HG21 H 1 0.800 . . 2 . . . . . . . . 4143 1 144 . 1 1 20 20 VAL HG22 H 1 0.800 . . 2 . . . . . . . . 4143 1 145 . 1 1 20 20 VAL HG23 H 1 0.800 . . 2 . . . . . . . . 4143 1 146 . 1 1 20 20 VAL N N 15 119.625 . . 1 . . . . . . . . 4143 1 147 . 1 1 21 21 ILE H H 1 9.36 . . 1 . . . . . . . . 4143 1 148 . 1 1 21 21 ILE HA H 1 4.17 . . 1 . . . . . . . . 4143 1 149 . 1 1 21 21 ILE HB H 1 1.272 . . 1 . . . . . . . . 4143 1 150 . 1 1 21 21 ILE HG12 H 1 0.779 . . 2 . . . . . . . . 4143 1 151 . 1 1 21 21 ILE HG13 H 1 0.519 . . 2 . . . . . . . . 4143 1 152 . 1 1 21 21 ILE HG21 H 1 0.762 . . 1 . . . . . . . . 4143 1 153 . 1 1 21 21 ILE HG22 H 1 0.762 . . 1 . . . . . . . . 4143 1 154 . 1 1 21 21 ILE HG23 H 1 0.762 . . 1 . . . . . . . . 4143 1 155 . 1 1 21 21 ILE HD11 H 1 -0.104 . . 1 . . . . . . . . 4143 1 156 . 1 1 21 21 ILE HD12 H 1 -0.104 . . 1 . . . . . . . . 4143 1 157 . 1 1 21 21 ILE HD13 H 1 -0.104 . . 1 . . . . . . . . 4143 1 158 . 1 1 21 21 ILE N N 15 127.553 . . 1 . . . . . . . . 4143 1 159 . 1 1 22 22 VAL H H 1 8.73 . . 1 . . . . . . . . 4143 1 160 . 1 1 22 22 VAL HA H 1 2.11 . . 1 . . . . . . . . 4143 1 161 . 1 1 22 22 VAL HB H 1 1.462 . . 1 . . . . . . . . 4143 1 162 . 1 1 22 22 VAL HG11 H 1 0.531 . . 2 . . . . . . . . 4143 1 163 . 1 1 22 22 VAL HG12 H 1 0.531 . . 2 . . . . . . . . 4143 1 164 . 1 1 22 22 VAL HG13 H 1 0.531 . . 2 . . . . . . . . 4143 1 165 . 1 1 22 22 VAL HG21 H 1 0.686 . . 2 . . . . . . . . 4143 1 166 . 1 1 22 22 VAL HG22 H 1 0.686 . . 2 . . . . . . . . 4143 1 167 . 1 1 22 22 VAL HG23 H 1 0.686 . . 2 . . . . . . . . 4143 1 168 . 1 1 22 22 VAL N N 15 125.874 . . 1 . . . . . . . . 4143 1 169 . 1 1 23 23 CYS H H 1 6.22 . . 1 . . . . . . . . 4143 1 170 . 1 1 23 23 CYS HA H 1 4.38 . . 1 . . . . . . . . 4143 1 171 . 1 1 23 23 CYS HB3 H 1 3.722 . . 2 . . . . . . . . 4143 1 172 . 1 1 23 23 CYS HB2 H 1 3.331 . . 2 . . . . . . . . 4143 1 173 . 1 1 23 23 CYS N N 15 120.992 . . 1 . . . . . . . . 4143 1 174 . 1 1 24 24 ASP H H 1 9.15 . . 1 . . . . . . . . 4143 1 175 . 1 1 24 24 ASP HA H 1 5.36 . . 1 . . . . . . . . 4143 1 176 . 1 1 24 24 ASP HB3 H 1 2.743 . . 2 . . . . . . . . 4143 1 177 . 1 1 24 24 ASP HB2 H 1 2.815 . . 2 . . . . . . . . 4143 1 178 . 1 1 24 24 ASP N N 15 124.850 . . 1 . . . . . . . . 4143 1 179 . 1 1 25 25 VAL H H 1 8.80 . . 1 . . . . . . . . 4143 1 180 . 1 1 25 25 VAL HA H 1 4.41 . . 1 . . . . . . . . 4143 1 181 . 1 1 25 25 VAL HB H 1 1.698 . . 1 . . . . . . . . 4143 1 182 . 1 1 25 25 VAL HG11 H 1 0.383 . . 2 . . . . . . . . 4143 1 183 . 1 1 25 25 VAL HG12 H 1 0.383 . . 2 . . . . . . . . 4143 1 184 . 1 1 25 25 VAL HG13 H 1 0.383 . . 2 . . . . . . . . 4143 1 185 . 1 1 25 25 VAL HG21 H 1 0.519 . . 2 . . . . . . . . 4143 1 186 . 1 1 25 25 VAL HG22 H 1 0.519 . . 2 . . . . . . . . 4143 1 187 . 1 1 25 25 VAL HG23 H 1 0.519 . . 2 . . . . . . . . 4143 1 188 . 1 1 25 25 VAL N N 15 123.616 . . 1 . . . . . . . . 4143 1 189 . 1 1 26 26 VAL H H 1 8.83 . . 1 . . . . . . . . 4143 1 190 . 1 1 26 26 VAL HA H 1 4.47 . . 1 . . . . . . . . 4143 1 191 . 1 1 26 26 VAL HB H 1 1.932 . . 1 . . . . . . . . 4143 1 192 . 1 1 26 26 VAL HG11 H 1 0.905 . . 2 . . . . . . . . 4143 1 193 . 1 1 26 26 VAL HG12 H 1 0.905 . . 2 . . . . . . . . 4143 1 194 . 1 1 26 26 VAL HG13 H 1 0.905 . . 2 . . . . . . . . 4143 1 195 . 1 1 26 26 VAL HG21 H 1 0.847 . . 2 . . . . . . . . 4143 1 196 . 1 1 26 26 VAL HG22 H 1 0.847 . . 2 . . . . . . . . 4143 1 197 . 1 1 26 26 VAL HG23 H 1 0.847 . . 2 . . . . . . . . 4143 1 198 . 1 1 26 26 VAL N N 15 122.605 . . 1 . . . . . . . . 4143 1 199 . 1 1 27 27 SER H H 1 8.31 . . 1 . . . . . . . . 4143 1 200 . 1 1 27 27 SER HA H 1 3.90 . . 1 . . . . . . . . 4143 1 201 . 1 1 27 27 SER HB3 H 1 3.516 . . 1 . . . . . . . . 4143 1 202 . 1 1 27 27 SER HB2 H 1 3.516 . . 1 . . . . . . . . 4143 1 203 . 1 1 27 27 SER N N 15 115.281 . . 1 . . . . . . . . 4143 1 204 . 1 1 28 28 SER H H 1 7.46 . . 1 . . . . . . . . 4143 1 205 . 1 1 28 28 SER HA H 1 3.80 . . 1 . . . . . . . . 4143 1 206 . 1 1 28 28 SER HB3 H 1 3.598 . . 2 . . . . . . . . 4143 1 207 . 1 1 28 28 SER HB2 H 1 3.406 . . 2 . . . . . . . . 4143 1 208 . 1 1 28 28 SER N N 15 112.138 . . 1 . . . . . . . . 4143 1 209 . 1 1 29 29 LEU H H 1 6.93 . . 1 . . . . . . . . 4143 1 210 . 1 1 29 29 LEU HB3 H 1 1.199 . . 4 . . . . . . . . 4143 1 211 . 1 1 29 29 LEU HB2 H 1 1.199 . . 4 . . . . . . . . 4143 1 212 . 1 1 29 29 LEU HG H 1 1.199 . . 4 . . . . . . . . 4143 1 213 . 1 1 29 29 LEU HD11 H 1 1.446 . . 4 . . . . . . . . 4143 1 214 . 1 1 29 29 LEU HD12 H 1 1.446 . . 4 . . . . . . . . 4143 1 215 . 1 1 29 29 LEU HD13 H 1 1.446 . . 4 . . . . . . . . 4143 1 216 . 1 1 29 29 LEU HD21 H 1 1.446 . . 4 . . . . . . . . 4143 1 217 . 1 1 29 29 LEU HD22 H 1 1.446 . . 4 . . . . . . . . 4143 1 218 . 1 1 29 29 LEU HD23 H 1 1.446 . . 4 . . . . . . . . 4143 1 219 . 1 1 29 29 LEU N N 15 118.473 . . 1 . . . . . . . . 4143 1 220 . 1 1 32 32 THR H H 1 9.12 . . 1 . . . . . . . . 4143 1 221 . 1 1 32 32 THR HA H 1 4.47 . . 1 . . . . . . . . 4143 1 222 . 1 1 32 32 THR HB H 1 3.923 . . 1 . . . . . . . . 4143 1 223 . 1 1 32 32 THR HG21 H 1 1.201 . . 1 . . . . . . . . 4143 1 224 . 1 1 32 32 THR HG22 H 1 1.201 . . 1 . . . . . . . . 4143 1 225 . 1 1 32 32 THR HG23 H 1 1.201 . . 1 . . . . . . . . 4143 1 226 . 1 1 32 32 THR N N 15 113.864 . . 1 . . . . . . . . 4143 1 227 . 1 1 33 33 ILE H H 1 8.62 . . 1 . . . . . . . . 4143 1 228 . 1 1 33 33 ILE HA H 1 5.24 . . 1 . . . . . . . . 4143 1 229 . 1 1 33 33 ILE HB H 1 1.725 . . 1 . . . . . . . . 4143 1 230 . 1 1 33 33 ILE HG21 H 1 0.705 . . 1 . . . . . . . . 4143 1 231 . 1 1 33 33 ILE HG22 H 1 0.705 . . 1 . . . . . . . . 4143 1 232 . 1 1 33 33 ILE HG23 H 1 0.705 . . 1 . . . . . . . . 4143 1 233 . 1 1 33 33 ILE N N 15 126.536 . . 1 . . . . . . . . 4143 1 234 . 1 1 34 34 ILE H H 1 9.10 . . 1 . . . . . . . . 4143 1 235 . 1 1 34 34 ILE HA H 1 4.44 . . 1 . . . . . . . . 4143 1 236 . 1 1 34 34 ILE HB H 1 1.654 . . 1 . . . . . . . . 4143 1 237 . 1 1 34 34 ILE HG12 H 1 1.097 . . 1 . . . . . . . . 4143 1 238 . 1 1 34 34 ILE HG13 H 1 1.097 . . 1 . . . . . . . . 4143 1 239 . 1 1 34 34 ILE HG21 H 1 0.829 . . 1 . . . . . . . . 4143 1 240 . 1 1 34 34 ILE HG22 H 1 0.829 . . 1 . . . . . . . . 4143 1 241 . 1 1 34 34 ILE HG23 H 1 0.829 . . 1 . . . . . . . . 4143 1 242 . 1 1 34 34 ILE HD11 H 1 0.779 . . 1 . . . . . . . . 4143 1 243 . 1 1 34 34 ILE HD12 H 1 0.779 . . 1 . . . . . . . . 4143 1 244 . 1 1 34 34 ILE HD13 H 1 0.779 . . 1 . . . . . . . . 4143 1 245 . 1 1 34 34 ILE N N 15 126.843 . . 1 . . . . . . . . 4143 1 246 . 1 1 35 35 TRP H H 1 9.62 . . 1 . . . . . . . . 4143 1 247 . 1 1 35 35 TRP HA H 1 5.63 . . 1 . . . . . . . . 4143 1 248 . 1 1 35 35 TRP HB3 H 1 2.966 . . 2 . . . . . . . . 4143 1 249 . 1 1 35 35 TRP HB2 H 1 3.171 . . 2 . . . . . . . . 4143 1 250 . 1 1 35 35 TRP HD1 H 1 7.052 . . 1 . . . . . . . . 4143 1 251 . 1 1 35 35 TRP HE1 H 1 10.638 . . 1 . . . . . . . . 4143 1 252 . 1 1 35 35 TRP HE3 H 1 7.354 . . 1 . . . . . . . . 4143 1 253 . 1 1 35 35 TRP HZ2 H 1 7.540 . . 1 . . . . . . . . 4143 1 254 . 1 1 35 35 TRP HZ3 H 1 6.802 . . 1 . . . . . . . . 4143 1 255 . 1 1 35 35 TRP HH2 H 1 6.789 . . 1 . . . . . . . . 4143 1 256 . 1 1 35 35 TRP N N 15 124.468 . . 1 . . . . . . . . 4143 1 257 . 1 1 35 35 TRP NE1 N 15 127.054 . . 1 . . . . . . . . 4143 1 258 . 1 1 36 36 LYS H H 1 9.36 . . 1 . . . . . . . . 4143 1 259 . 1 1 36 36 LYS HA H 1 5.24 . . 1 . . . . . . . . 4143 1 260 . 1 1 36 36 LYS HB3 H 1 1.53 . . 1 . . . . . . . . 4143 1 261 . 1 1 36 36 LYS HB2 H 1 1.53 . . 1 . . . . . . . . 4143 1 262 . 1 1 36 36 LYS HG2 H 1 1.257 . . 2 . . . . . . . . 4143 1 263 . 1 1 36 36 LYS HG3 H 1 2.497 . . 2 . . . . . . . . 4143 1 264 . 1 1 36 36 LYS HD2 H 1 1.209 . . 2 . . . . . . . . 4143 1 265 . 1 1 36 36 LYS HD3 H 1 1.318 . . 2 . . . . . . . . 4143 1 266 . 1 1 36 36 LYS HE2 H 1 2.727 . . 2 . . . . . . . . 4143 1 267 . 1 1 36 36 LYS HE3 H 1 2.668 . . 2 . . . . . . . . 4143 1 268 . 1 1 36 36 LYS N N 15 117.603 . . 1 . . . . . . . . 4143 1 269 . 1 1 37 37 HIS H H 1 8.77 . . 1 . . . . . . . . 4143 1 270 . 1 1 37 37 HIS HA H 1 4.63 . . 1 . . . . . . . . 4143 1 271 . 1 1 37 37 HIS N N 15 118.150 . . 1 . . . . . . . . 4143 1 272 . 1 1 38 38 LYS H H 1 9.25 . . 1 . . . . . . . . 4143 1 273 . 1 1 38 38 LYS HA H 1 3.55 . . 1 . . . . . . . . 4143 1 274 . 1 1 38 38 LYS HB3 H 1 1.700 . . 2 . . . . . . . . 4143 1 275 . 1 1 38 38 LYS HB2 H 1 1.466 . . 2 . . . . . . . . 4143 1 276 . 1 1 38 38 LYS HG2 H 1 0.291 . . 2 . . . . . . . . 4143 1 277 . 1 1 38 38 LYS HG3 H 1 0.786 . . 2 . . . . . . . . 4143 1 278 . 1 1 38 38 LYS HD2 H 1 1.412 . . 2 . . . . . . . . 4143 1 279 . 1 1 38 38 LYS HD3 H 1 1.376 . . 2 . . . . . . . . 4143 1 280 . 1 1 38 38 LYS HE2 H 1 2.799 . . 1 . . . . . . . . 4143 1 281 . 1 1 38 38 LYS HE3 H 1 2.799 . . 1 . . . . . . . . 4143 1 282 . 1 1 38 38 LYS N N 15 125.754 . . 1 . . . . . . . . 4143 1 283 . 1 1 39 39 GLY H H 1 8.70 . . 1 . . . . . . . . 4143 1 284 . 1 1 39 39 GLY HA2 H 1 4.01 . . 2 . . . . . . . . 4143 1 285 . 1 1 39 39 GLY HA3 H 1 3.48 . . 2 . . . . . . . . 4143 1 286 . 1 1 39 39 GLY N N 15 100.916 . . 1 . . . . . . . . 4143 1 287 . 1 1 40 40 ARG H H 1 7.41 . . 1 . . . . . . . . 4143 1 288 . 1 1 40 40 ARG HA H 1 4.68 . . 1 . . . . . . . . 4143 1 289 . 1 1 40 40 ARG HB3 H 1 1.616 . . 1 . . . . . . . . 4143 1 290 . 1 1 40 40 ARG HB2 H 1 1.616 . . 1 . . . . . . . . 4143 1 291 . 1 1 40 40 ARG HG2 H 1 1.748 . . 1 . . . . . . . . 4143 1 292 . 1 1 40 40 ARG HG3 H 1 1.748 . . 1 . . . . . . . . 4143 1 293 . 1 1 40 40 ARG HD2 H 1 1.547 . . 1 . . . . . . . . 4143 1 294 . 1 1 40 40 ARG HD3 H 1 1.547 . . 1 . . . . . . . . 4143 1 295 . 1 1 40 40 ARG HE H 1 7.110 . . 1 . . . . . . . . 4143 1 296 . 1 1 40 40 ARG N N 15 117.328 . . 1 . . . . . . . . 4143 1 297 . 1 1 40 40 ARG NE N 15 123.229 . . 1 . . . . . . . . 4143 1 298 . 1 1 42 42 VAL H H 1 9.27 . . 1 . . . . . . . . 4143 1 299 . 1 1 42 42 VAL HA H 1 3.87 . . 1 . . . . . . . . 4143 1 300 . 1 1 42 42 VAL HB H 1 2.002 . . 2 . . . . . . . . 4143 1 301 . 1 1 42 42 VAL HG11 H 1 1.065 . . 2 . . . . . . . . 4143 1 302 . 1 1 42 42 VAL HG12 H 1 1.065 . . 2 . . . . . . . . 4143 1 303 . 1 1 42 42 VAL HG13 H 1 1.065 . . 2 . . . . . . . . 4143 1 304 . 1 1 42 42 VAL HG21 H 1 1.102 . . 2 . . . . . . . . 4143 1 305 . 1 1 42 42 VAL HG22 H 1 1.102 . . 2 . . . . . . . . 4143 1 306 . 1 1 42 42 VAL HG23 H 1 1.102 . . 2 . . . . . . . . 4143 1 307 . 1 1 42 42 VAL N N 15 123.430 . . 1 . . . . . . . . 4143 1 308 . 1 1 43 43 ILE H H 1 9.00 . . 1 . . . . . . . . 4143 1 309 . 1 1 43 43 ILE HA H 1 4.05 . . 1 . . . . . . . . 4143 1 310 . 1 1 43 43 ILE HB H 1 2.084 . . 1 . . . . . . . . 4143 1 311 . 1 1 43 43 ILE HG21 H 1 0.985 . . 1 . . . . . . . . 4143 1 312 . 1 1 43 43 ILE HG22 H 1 0.985 . . 1 . . . . . . . . 4143 1 313 . 1 1 43 43 ILE HG23 H 1 0.985 . . 1 . . . . . . . . 4143 1 314 . 1 1 43 43 ILE N N 15 120.376 . . 1 . . . . . . . . 4143 1 315 . 1 1 44 44 LEU H H 1 7.76 . . 1 . . . . . . . . 4143 1 316 . 1 1 44 44 LEU HA H 1 4.14 . . 1 . . . . . . . . 4143 1 317 . 1 1 44 44 LEU HB3 H 1 1.853 . . 1 . . . . . . . . 4143 1 318 . 1 1 44 44 LEU HB2 H 1 1.853 . . 1 . . . . . . . . 4143 1 319 . 1 1 44 44 LEU HG H 1 1.586 . . 2 . . . . . . . . 4143 1 320 . 1 1 44 44 LEU HD11 H 1 0.861 . . 2 . . . . . . . . 4143 1 321 . 1 1 44 44 LEU HD12 H 1 0.861 . . 2 . . . . . . . . 4143 1 322 . 1 1 44 44 LEU HD13 H 1 0.861 . . 2 . . . . . . . . 4143 1 323 . 1 1 44 44 LEU HD21 H 1 1.008 . . 2 . . . . . . . . 4143 1 324 . 1 1 44 44 LEU HD22 H 1 1.008 . . 2 . . . . . . . . 4143 1 325 . 1 1 44 44 LEU HD23 H 1 1.008 . . 2 . . . . . . . . 4143 1 326 . 1 1 44 44 LEU N N 15 117.590 . . 1 . . . . . . . . 4143 1 327 . 1 1 45 45 LYS H H 1 7.47 . . 1 . . . . . . . . 4143 1 328 . 1 1 45 45 LYS HA H 1 3.93 . . 1 . . . . . . . . 4143 1 329 . 1 1 45 45 LYS HB3 H 1 1.729 . . 1 . . . . . . . . 4143 1 330 . 1 1 45 45 LYS HB2 H 1 1.729 . . 1 . . . . . . . . 4143 1 331 . 1 1 45 45 LYS HG2 H 1 1.403 . . 1 . . . . . . . . 4143 1 332 . 1 1 45 45 LYS HG3 H 1 1.403 . . 1 . . . . . . . . 4143 1 333 . 1 1 45 45 LYS HD2 H 1 1.181 . . 2 . . . . . . . . 4143 1 334 . 1 1 45 45 LYS HD3 H 1 1.043 . . 2 . . . . . . . . 4143 1 335 . 1 1 45 45 LYS HE2 H 1 2.664 . . 2 . . . . . . . . 4143 1 336 . 1 1 45 45 LYS HE3 H 1 2.588 . . 2 . . . . . . . . 4143 1 337 . 1 1 45 45 LYS N N 15 115.602 . . 1 . . . . . . . . 4143 1 338 . 1 1 46 46 LYS H H 1 7.67 . . 1 . . . . . . . . 4143 1 339 . 1 1 46 46 LYS HA H 1 3.88 . . 1 . . . . . . . . 4143 1 340 . 1 1 46 46 LYS HB3 H 1 1.929 . . 1 . . . . . . . . 4143 1 341 . 1 1 46 46 LYS HB2 H 1 1.929 . . 1 . . . . . . . . 4143 1 342 . 1 1 46 46 LYS HG2 H 1 1.346 . . 1 . . . . . . . . 4143 1 343 . 1 1 46 46 LYS HG3 H 1 1.346 . . 1 . . . . . . . . 4143 1 344 . 1 1 46 46 LYS HD2 H 1 1.863 . . 1 . . . . . . . . 4143 1 345 . 1 1 46 46 LYS HD3 H 1 1.863 . . 1 . . . . . . . . 4143 1 346 . 1 1 46 46 LYS HE2 H 1 2.977 . . 1 . . . . . . . . 4143 1 347 . 1 1 46 46 LYS HE3 H 1 2.977 . . 1 . . . . . . . . 4143 1 348 . 1 1 46 46 LYS N N 15 111.479 . . 1 . . . . . . . . 4143 1 349 . 1 1 47 47 ASP H H 1 8.23 . . 1 . . . . . . . . 4143 1 350 . 1 1 47 47 ASP HA H 1 4.93 . . 1 . . . . . . . . 4143 1 351 . 1 1 47 47 ASP HB3 H 1 2.935 . . 2 . . . . . . . . 4143 1 352 . 1 1 47 47 ASP HB2 H 1 2.277 . . 2 . . . . . . . . 4143 1 353 . 1 1 47 47 ASP N N 15 117.282 . . 1 . . . . . . . . 4143 1 354 . 1 1 48 48 VAL H H 1 8.34 . . 1 . . . . . . . . 4143 1 355 . 1 1 48 48 VAL HA H 1 4.10 . . 1 . . . . . . . . 4143 1 356 . 1 1 48 48 VAL HB H 1 2.332 . . 1 . . . . . . . . 4143 1 357 . 1 1 48 48 VAL HG11 H 1 0.915 . . 2 . . . . . . . . 4143 1 358 . 1 1 48 48 VAL HG12 H 1 0.915 . . 2 . . . . . . . . 4143 1 359 . 1 1 48 48 VAL HG13 H 1 0.915 . . 2 . . . . . . . . 4143 1 360 . 1 1 48 48 VAL HG21 H 1 1.026 . . 2 . . . . . . . . 4143 1 361 . 1 1 48 48 VAL HG22 H 1 1.026 . . 2 . . . . . . . . 4143 1 362 . 1 1 48 48 VAL HG23 H 1 1.026 . . 2 . . . . . . . . 4143 1 363 . 1 1 48 48 VAL N N 15 119.547 . . 1 . . . . . . . . 4143 1 364 . 1 1 49 49 ARG H H 1 8.54 . . 1 . . . . . . . . 4143 1 365 . 1 1 49 49 ARG HA H 1 3.88 . . 1 . . . . . . . . 4143 1 366 . 1 1 49 49 ARG HB3 H 1 3.143 . . 2 . . . . . . . . 4143 1 367 . 1 1 49 49 ARG HB2 H 1 2.994 . . 2 . . . . . . . . 4143 1 368 . 1 1 49 49 ARG N N 15 117.588 . . 1 . . . . . . . . 4143 1 369 . 1 1 50 50 PHE H H 1 7.64 . . 1 . . . . . . . . 4143 1 370 . 1 1 50 50 PHE HA H 1 4.89 . . 1 . . . . . . . . 4143 1 371 . 1 1 50 50 PHE HB3 H 1 3.193 . . 2 . . . . . . . . 4143 1 372 . 1 1 50 50 PHE HB2 H 1 2.336 . . 2 . . . . . . . . 4143 1 373 . 1 1 50 50 PHE HD1 H 1 6.987 . . 1 . . . . . . . . 4143 1 374 . 1 1 50 50 PHE HD2 H 1 6.987 . . 1 . . . . . . . . 4143 1 375 . 1 1 50 50 PHE HE1 H 1 7.179 . . 1 . . . . . . . . 4143 1 376 . 1 1 50 50 PHE HE2 H 1 7.179 . . 1 . . . . . . . . 4143 1 377 . 1 1 50 50 PHE HZ H 1 7.225 . . 1 . . . . . . . . 4143 1 378 . 1 1 50 50 PHE N N 15 114.479 . . 1 . . . . . . . . 4143 1 379 . 1 1 51 51 ILE H H 1 8.96 . . 1 . . . . . . . . 4143 1 380 . 1 1 51 51 ILE HA H 1 4.20 . . 1 . . . . . . . . 4143 1 381 . 1 1 51 51 ILE HB H 1 1.680 . . 1 . . . . . . . . 4143 1 382 . 1 1 51 51 ILE HG12 H 1 0.943 . . 1 . . . . . . . . 4143 1 383 . 1 1 51 51 ILE HG13 H 1 0.943 . . 1 . . . . . . . . 4143 1 384 . 1 1 51 51 ILE HG21 H 1 0.711 . . 1 . . . . . . . . 4143 1 385 . 1 1 51 51 ILE HG22 H 1 0.711 . . 1 . . . . . . . . 4143 1 386 . 1 1 51 51 ILE HG23 H 1 0.711 . . 1 . . . . . . . . 4143 1 387 . 1 1 51 51 ILE HD11 H 1 1.300 . . 1 . . . . . . . . 4143 1 388 . 1 1 51 51 ILE HD12 H 1 1.300 . . 1 . . . . . . . . 4143 1 389 . 1 1 51 51 ILE HD13 H 1 1.300 . . 1 . . . . . . . . 4143 1 390 . 1 1 51 51 ILE N N 15 122.503 . . 1 . . . . . . . . 4143 1 391 . 1 1 52 52 VAL H H 1 8.53 . . 1 . . . . . . . . 4143 1 392 . 1 1 52 52 VAL HA H 1 4.36 . . 1 . . . . . . . . 4143 1 393 . 1 1 52 52 VAL HB H 1 2.071 . . 1 . . . . . . . . 4143 1 394 . 1 1 52 52 VAL HG11 H 1 1.201 . . 2 . . . . . . . . 4143 1 395 . 1 1 52 52 VAL HG12 H 1 1.201 . . 2 . . . . . . . . 4143 1 396 . 1 1 52 52 VAL HG13 H 1 1.201 . . 2 . . . . . . . . 4143 1 397 . 1 1 52 52 VAL HG21 H 1 1.075 . . 2 . . . . . . . . 4143 1 398 . 1 1 52 52 VAL HG22 H 1 1.075 . . 2 . . . . . . . . 4143 1 399 . 1 1 52 52 VAL HG23 H 1 1.075 . . 2 . . . . . . . . 4143 1 400 . 1 1 52 52 VAL N N 15 125.168 . . 1 . . . . . . . . 4143 1 401 . 1 1 53 53 LEU H H 1 8.92 . . 1 . . . . . . . . 4143 1 402 . 1 1 53 53 LEU HA H 1 4.32 . . 1 . . . . . . . . 4143 1 403 . 1 1 53 53 LEU HB3 H 1 1.506 . . 2 . . . . . . . . 4143 1 404 . 1 1 53 53 LEU HB2 H 1 2.185 . . 2 . . . . . . . . 4143 1 405 . 1 1 53 53 LEU HG H 1 1.596 . . 2 . . . . . . . . 4143 1 406 . 1 1 53 53 LEU HD11 H 1 0.690 . . 2 . . . . . . . . 4143 1 407 . 1 1 53 53 LEU HD12 H 1 0.690 . . 2 . . . . . . . . 4143 1 408 . 1 1 53 53 LEU HD13 H 1 0.690 . . 2 . . . . . . . . 4143 1 409 . 1 1 53 53 LEU HD21 H 1 0.853 . . 2 . . . . . . . . 4143 1 410 . 1 1 53 53 LEU HD22 H 1 0.853 . . 2 . . . . . . . . 4143 1 411 . 1 1 53 53 LEU HD23 H 1 0.853 . . 2 . . . . . . . . 4143 1 412 . 1 1 53 53 LEU N N 15 126.956 . . 1 . . . . . . . . 4143 1 413 . 1 1 54 54 SER H H 1 8.79 . . 1 . . . . . . . . 4143 1 414 . 1 1 54 54 SER HA H 1 4.16 . . 1 . . . . . . . . 4143 1 415 . 1 1 54 54 SER HB3 H 1 3.914 . . 2 . . . . . . . . 4143 1 416 . 1 1 54 54 SER HB2 H 1 3.934 . . 2 . . . . . . . . 4143 1 417 . 1 1 54 54 SER N N 15 114.241 . . 1 . . . . . . . . 4143 1 418 . 1 1 55 55 ASN H H 1 7.32 . . 1 . . . . . . . . 4143 1 419 . 1 1 55 55 ASN HA H 1 4.47 . . 1 . . . . . . . . 4143 1 420 . 1 1 55 55 ASN HB3 H 1 2.398 . . 2 . . . . . . . . 4143 1 421 . 1 1 55 55 ASN HB2 H 1 2.772 . . 2 . . . . . . . . 4143 1 422 . 1 1 55 55 ASN HD21 H 1 6.836 . . 2 . . . . . . . . 4143 1 423 . 1 1 55 55 ASN HD22 H 1 5.115 . . 2 . . . . . . . . 4143 1 424 . 1 1 55 55 ASN N N 15 115.409 . . 1 . . . . . . . . 4143 1 425 . 1 1 55 55 ASN ND2 N 15 104.972 . . 1 . . . . . . . . 4143 1 426 . 1 1 56 56 ASN H H 1 8.12 . . 1 . . . . . . . . 4143 1 427 . 1 1 56 56 ASN HA H 1 4.33 . . 1 . . . . . . . . 4143 1 428 . 1 1 56 56 ASN HB3 H 1 3.704 . . 2 . . . . . . . . 4143 1 429 . 1 1 56 56 ASN HB2 H 1 3.048 . . 2 . . . . . . . . 4143 1 430 . 1 1 56 56 ASN HD21 H 1 7.637 . . 2 . . . . . . . . 4143 1 431 . 1 1 56 56 ASN HD22 H 1 7.128 . . 2 . . . . . . . . 4143 1 432 . 1 1 56 56 ASN N N 15 106.342 . . 1 . . . . . . . . 4143 1 433 . 1 1 56 56 ASN ND2 N 15 112.742 . . 1 . . . . . . . . 4143 1 434 . 1 1 57 57 TYR H H 1 7.69 . . 1 . . . . . . . . 4143 1 435 . 1 1 57 57 TYR HA H 1 5.09 . . 1 . . . . . . . . 4143 1 436 . 1 1 57 57 TYR HB3 H 1 3.235 . . 2 . . . . . . . . 4143 1 437 . 1 1 57 57 TYR HB2 H 1 3.083 . . 2 . . . . . . . . 4143 1 438 . 1 1 57 57 TYR HD1 H 1 7.006 . . 1 . . . . . . . . 4143 1 439 . 1 1 57 57 TYR HD2 H 1 7.006 . . 1 . . . . . . . . 4143 1 440 . 1 1 57 57 TYR HE1 H 1 6.901 . . 1 . . . . . . . . 4143 1 441 . 1 1 57 57 TYR HE2 H 1 6.901 . . 1 . . . . . . . . 4143 1 442 . 1 1 57 57 TYR N N 15 117.369 . . 1 . . . . . . . . 4143 1 443 . 1 1 58 58 LEU H H 1 7.13 . . 1 . . . . . . . . 4143 1 444 . 1 1 58 58 LEU HA H 1 4.28 . . 1 . . . . . . . . 4143 1 445 . 1 1 58 58 LEU HB3 H 1 0.071 . . 2 . . . . . . . . 4143 1 446 . 1 1 58 58 LEU HB2 H 1 -1.313 . . 2 . . . . . . . . 4143 1 447 . 1 1 58 58 LEU HG H 1 0.628 . . 1 . . . . . . . . 4143 1 448 . 1 1 58 58 LEU HD11 H 1 0.492 . . 2 . . . . . . . . 4143 1 449 . 1 1 58 58 LEU HD12 H 1 0.492 . . 2 . . . . . . . . 4143 1 450 . 1 1 58 58 LEU HD13 H 1 0.492 . . 2 . . . . . . . . 4143 1 451 . 1 1 58 58 LEU HD21 H 1 0.191 . . 2 . . . . . . . . 4143 1 452 . 1 1 58 58 LEU HD22 H 1 0.191 . . 2 . . . . . . . . 4143 1 453 . 1 1 58 58 LEU HD23 H 1 0.191 . . 2 . . . . . . . . 4143 1 454 . 1 1 58 58 LEU N N 15 119.224 . . 1 . . . . . . . . 4143 1 455 . 1 1 59 59 GLN H H 1 9.30 . . 1 . . . . . . . . 4143 1 456 . 1 1 59 59 GLN HA H 1 5.30 . . 1 . . . . . . . . 4143 1 457 . 1 1 59 59 GLN HB3 H 1 1.831 . . 2 . . . . . . . . 4143 1 458 . 1 1 59 59 GLN HB2 H 1 2.226 . . 2 . . . . . . . . 4143 1 459 . 1 1 59 59 GLN HG2 H 1 1.590 . . 2 . . . . . . . . 4143 1 460 . 1 1 59 59 GLN HG3 H 1 1.454 . . 2 . . . . . . . . 4143 1 461 . 1 1 59 59 GLN HE21 H 1 6.360 . . 2 . . . . . . . . 4143 1 462 . 1 1 59 59 GLN HE22 H 1 6.632 . . 2 . . . . . . . . 4143 1 463 . 1 1 59 59 GLN N N 15 126.292 . . 1 . . . . . . . . 4143 1 464 . 1 1 59 59 GLN NE2 N 15 107.197 . . 1 . . . . . . . . 4143 1 465 . 1 1 60 60 ILE H H 1 8.30 . . 1 . . . . . . . . 4143 1 466 . 1 1 60 60 ILE HA H 1 3.86 . . 1 . . . . . . . . 4143 1 467 . 1 1 60 60 ILE HB H 1 0.921 . . 1 . . . . . . . . 4143 1 468 . 1 1 60 60 ILE HG12 H 1 -0.327 . . 1 . . . . . . . . 4143 1 469 . 1 1 60 60 ILE HG13 H 1 -0.327 . . 1 . . . . . . . . 4143 1 470 . 1 1 60 60 ILE HG21 H 1 -0.244 . . 1 . . . . . . . . 4143 1 471 . 1 1 60 60 ILE HG22 H 1 -0.244 . . 1 . . . . . . . . 4143 1 472 . 1 1 60 60 ILE HG23 H 1 -0.244 . . 1 . . . . . . . . 4143 1 473 . 1 1 60 60 ILE HD11 H 1 -0.010 . . 1 . . . . . . . . 4143 1 474 . 1 1 60 60 ILE HD12 H 1 -0.010 . . 1 . . . . . . . . 4143 1 475 . 1 1 60 60 ILE HD13 H 1 -0.010 . . 1 . . . . . . . . 4143 1 476 . 1 1 60 60 ILE N N 15 122.944 . . 1 . . . . . . . . 4143 1 477 . 1 1 61 61 ARG H H 1 8.73 . . 1 . . . . . . . . 4143 1 478 . 1 1 61 61 ARG HA H 1 3.89 . . 1 . . . . . . . . 4143 1 479 . 1 1 61 61 ARG HB3 H 1 1.439 . . 2 . . . . . . . . 4143 1 480 . 1 1 61 61 ARG HB2 H 1 1.595 . . 2 . . . . . . . . 4143 1 481 . 1 1 61 61 ARG HG2 H 1 1.130 . . 1 . . . . . . . . 4143 1 482 . 1 1 61 61 ARG HG3 H 1 1.130 . . 1 . . . . . . . . 4143 1 483 . 1 1 61 61 ARG HD2 H 1 3.001 . . 2 . . . . . . . . 4143 1 484 . 1 1 61 61 ARG HD3 H 1 2.958 . . 2 . . . . . . . . 4143 1 485 . 1 1 61 61 ARG HE H 1 6.769 . . 2 . . . . . . . . 4143 1 486 . 1 1 61 61 ARG N N 15 123.176 . . 1 . . . . . . . . 4143 1 487 . 1 1 61 61 ARG NE N 15 121.660 . . 1 . . . . . . . . 4143 1 488 . 1 1 62 62 GLY H H 1 8.34 . . 1 . . . . . . . . 4143 1 489 . 1 1 62 62 GLY HA2 H 1 3.40 . . 2 . . . . . . . . 4143 1 490 . 1 1 62 62 GLY HA3 H 1 3.33 . . 2 . . . . . . . . 4143 1 491 . 1 1 62 62 GLY N N 15 109.534 . . 1 . . . . . . . . 4143 1 492 . 1 1 63 63 ILE H H 1 8.15 . . 1 . . . . . . . . 4143 1 493 . 1 1 63 63 ILE HA H 1 3.44 . . 1 . . . . . . . . 4143 1 494 . 1 1 63 63 ILE HB H 1 1.370 . . 1 . . . . . . . . 4143 1 495 . 1 1 63 63 ILE HG12 H 1 1.558 . . 2 . . . . . . . . 4143 1 496 . 1 1 63 63 ILE HG13 H 1 1.214 . . 2 . . . . . . . . 4143 1 497 . 1 1 63 63 ILE HG21 H 1 0.794 . . 1 . . . . . . . . 4143 1 498 . 1 1 63 63 ILE HG22 H 1 0.794 . . 1 . . . . . . . . 4143 1 499 . 1 1 63 63 ILE HG23 H 1 0.794 . . 1 . . . . . . . . 4143 1 500 . 1 1 63 63 ILE HD11 H 1 0.195 . . 1 . . . . . . . . 4143 1 501 . 1 1 63 63 ILE HD12 H 1 0.195 . . 1 . . . . . . . . 4143 1 502 . 1 1 63 63 ILE HD13 H 1 0.195 . . 1 . . . . . . . . 4143 1 503 . 1 1 63 63 ILE N N 15 119.422 . . 1 . . . . . . . . 4143 1 504 . 1 1 64 64 LYS H H 1 9.21 . . 1 . . . . . . . . 4143 1 505 . 1 1 64 64 LYS HA H 1 4.87 . . 1 . . . . . . . . 4143 1 506 . 1 1 64 64 LYS HB3 H 1 1.559 . . 1 . . . . . . . . 4143 1 507 . 1 1 64 64 LYS HB2 H 1 1.559 . . 1 . . . . . . . . 4143 1 508 . 1 1 64 64 LYS N N 15 124.386 . . 1 . . . . . . . . 4143 1 509 . 1 1 65 65 LYS H H 1 9.25 . . 1 . . . . . . . . 4143 1 510 . 1 1 65 65 LYS HA H 1 3.84 . . 1 . . . . . . . . 4143 1 511 . 1 1 65 65 LYS HB3 H 1 1.924 . . 2 . . . . . . . . 4143 1 512 . 1 1 65 65 LYS HB2 H 1 1.832 . . 2 . . . . . . . . 4143 1 513 . 1 1 65 65 LYS HG2 H 1 1.443 . . 1 . . . . . . . . 4143 1 514 . 1 1 65 65 LYS HG3 H 1 1.443 . . 1 . . . . . . . . 4143 1 515 . 1 1 65 65 LYS HD2 H 1 1.589 . . 1 . . . . . . . . 4143 1 516 . 1 1 65 65 LYS HD3 H 1 1.589 . . 1 . . . . . . . . 4143 1 517 . 1 1 65 65 LYS N N 15 121.681 . . 1 . . . . . . . . 4143 1 518 . 1 1 66 66 THR H H 1 7.22 . . 1 . . . . . . . . 4143 1 519 . 1 1 66 66 THR HA H 1 4.19 . . 1 . . . . . . . . 4143 1 520 . 1 1 66 66 THR HG21 H 1 1.255 . . 1 . . . . . . . . 4143 1 521 . 1 1 66 66 THR HG22 H 1 1.255 . . 1 . . . . . . . . 4143 1 522 . 1 1 66 66 THR HG23 H 1 1.255 . . 1 . . . . . . . . 4143 1 523 . 1 1 66 66 THR N N 15 101.242 . . 1 . . . . . . . . 4143 1 524 . 1 1 67 67 ASP H H 1 8.09 . . 1 . . . . . . . . 4143 1 525 . 1 1 67 67 ASP HB3 H 1 2.909 . . 2 . . . . . . . . 4143 1 526 . 1 1 67 67 ASP HB2 H 1 2.636 . . 2 . . . . . . . . 4143 1 527 . 1 1 67 67 ASP N N 15 117.316 . . 1 . . . . . . . . 4143 1 528 . 1 1 68 68 GLU H H 1 7.47 . . 1 . . . . . . . . 4143 1 529 . 1 1 68 68 GLU HA H 1 4.07 . . 1 . . . . . . . . 4143 1 530 . 1 1 68 68 GLU HB3 H 1 2.454 . . 2 . . . . . . . . 4143 1 531 . 1 1 68 68 GLU HB2 H 1 2.170 . . 2 . . . . . . . . 4143 1 532 . 1 1 68 68 GLU HG2 H 1 2.859 . . 1 . . . . . . . . 4143 1 533 . 1 1 68 68 GLU HG3 H 1 2.859 . . 1 . . . . . . . . 4143 1 534 . 1 1 68 68 GLU N N 15 116.959 . . 1 . . . . . . . . 4143 1 535 . 1 1 69 69 GLY H H 1 8.47 . . 1 . . . . . . . . 4143 1 536 . 1 1 69 69 GLY HA2 H 1 4.07 . . 2 . . . . . . . . 4143 1 537 . 1 1 69 69 GLY HA3 H 1 5.42 . . 2 . . . . . . . . 4143 1 538 . 1 1 69 69 GLY N N 15 107.845 . . 1 . . . . . . . . 4143 1 539 . 1 1 70 70 THR H H 1 8.78 . . 1 . . . . . . . . 4143 1 540 . 1 1 70 70 THR HA H 1 5.02 . . 1 . . . . . . . . 4143 1 541 . 1 1 70 70 THR HB H 1 3.847 . . 1 . . . . . . . . 4143 1 542 . 1 1 70 70 THR HG21 H 1 1.020 . . 1 . . . . . . . . 4143 1 543 . 1 1 70 70 THR HG22 H 1 1.020 . . 1 . . . . . . . . 4143 1 544 . 1 1 70 70 THR HG23 H 1 1.020 . . 1 . . . . . . . . 4143 1 545 . 1 1 70 70 THR N N 15 115.779 . . 1 . . . . . . . . 4143 1 546 . 1 1 71 71 TYR H H 1 10.10 . . 1 . . . . . . . . 4143 1 547 . 1 1 71 71 TYR HA H 1 5.18 . . 1 . . . . . . . . 4143 1 548 . 1 1 71 71 TYR HB3 H 1 3.026 . . 1 . . . . . . . . 4143 1 549 . 1 1 71 71 TYR HB2 H 1 3.026 . . 1 . . . . . . . . 4143 1 550 . 1 1 71 71 TYR HD1 H 1 6.952 . . 1 . . . . . . . . 4143 1 551 . 1 1 71 71 TYR HD2 H 1 6.952 . . 1 . . . . . . . . 4143 1 552 . 1 1 71 71 TYR HE1 H 1 6.427 . . 1 . . . . . . . . 4143 1 553 . 1 1 71 71 TYR HE2 H 1 6.427 . . 1 . . . . . . . . 4143 1 554 . 1 1 71 71 TYR N N 15 129.489 . . 1 . . . . . . . . 4143 1 555 . 1 1 72 72 ARG H H 1 9.60 . . 1 . . . . . . . . 4143 1 556 . 1 1 72 72 ARG HA H 1 5.09 . . 1 . . . . . . . . 4143 1 557 . 1 1 72 72 ARG HB3 H 1 1.642 . . 1 . . . . . . . . 4143 1 558 . 1 1 72 72 ARG HB2 H 1 1.642 . . 1 . . . . . . . . 4143 1 559 . 1 1 72 72 ARG HG2 H 1 1.251 . . 2 . . . . . . . . 4143 1 560 . 1 1 72 72 ARG HG3 H 1 1.203 . . 2 . . . . . . . . 4143 1 561 . 1 1 72 72 ARG N N 15 122.749 . . 1 . . . . . . . . 4143 1 562 . 1 1 73 73 CYS H H 1 8.62 . . 1 . . . . . . . . 4143 1 563 . 1 1 73 73 CYS HA H 1 3.36 . . 1 . . . . . . . . 4143 1 564 . 1 1 73 73 CYS HB3 H 1 2.298 . . 2 . . . . . . . . 4143 1 565 . 1 1 73 73 CYS HB2 H 1 2.608 . . 2 . . . . . . . . 4143 1 566 . 1 1 73 73 CYS N N 15 126.288 . . 1 . . . . . . . . 4143 1 567 . 1 1 74 74 GLU H H 1 8.74 . . 1 . . . . . . . . 4143 1 568 . 1 1 74 74 GLU HA H 1 4.98 . . 1 . . . . . . . . 4143 1 569 . 1 1 74 74 GLU HB3 H 1 1.793 . . 2 . . . . . . . . 4143 1 570 . 1 1 74 74 GLU HB2 H 1 2.213 . . 2 . . . . . . . . 4143 1 571 . 1 1 74 74 GLU HG2 H 1 1.657 . . 1 . . . . . . . . 4143 1 572 . 1 1 74 74 GLU HG3 H 1 1.657 . . 1 . . . . . . . . 4143 1 573 . 1 1 74 74 GLU N N 15 126.343 . . 1 . . . . . . . . 4143 1 574 . 1 1 75 75 GLY H H 1 9.07 . . 1 . . . . . . . . 4143 1 575 . 1 1 75 75 GLY HA2 H 1 5.23 . . 2 . . . . . . . . 4143 1 576 . 1 1 75 75 GLY HA3 H 1 2.91 . . 2 . . . . . . . . 4143 1 577 . 1 1 75 75 GLY N N 15 109.069 . . 1 . . . . . . . . 4143 1 578 . 1 1 76 76 ARG H H 1 8.91 . . 1 . . . . . . . . 4143 1 579 . 1 1 76 76 ARG HA H 1 5.33 . . 1 . . . . . . . . 4143 1 580 . 1 1 76 76 ARG HB3 H 1 1.548 . . 2 . . . . . . . . 4143 1 581 . 1 1 76 76 ARG HB2 H 1 1.599 . . 2 . . . . . . . . 4143 1 582 . 1 1 76 76 ARG HG2 H 1 1.735 . . 1 . . . . . . . . 4143 1 583 . 1 1 76 76 ARG HG3 H 1 1.735 . . 1 . . . . . . . . 4143 1 584 . 1 1 76 76 ARG HD2 H 1 3.028 . . 1 . . . . . . . . 4143 1 585 . 1 1 76 76 ARG HD3 H 1 3.028 . . 1 . . . . . . . . 4143 1 586 . 1 1 76 76 ARG HE H 1 7.513 . . 1 . . . . . . . . 4143 1 587 . 1 1 76 76 ARG N N 15 118.184 . . 1 . . . . . . . . 4143 1 588 . 1 1 76 76 ARG NE N 15 122.946 . . 1 . . . . . . . . 4143 1 589 . 1 1 77 77 ILE H H 1 8.29 . . 1 . . . . . . . . 4143 1 590 . 1 1 77 77 ILE HA H 1 4.37 . . 1 . . . . . . . . 4143 1 591 . 1 1 77 77 ILE HB H 1 1.648 . . 1 . . . . . . . . 4143 1 592 . 1 1 77 77 ILE HG12 H 1 0.703 . . 1 . . . . . . . . 4143 1 593 . 1 1 77 77 ILE HG13 H 1 0.703 . . 1 . . . . . . . . 4143 1 594 . 1 1 77 77 ILE HG21 H 1 0.739 . . 1 . . . . . . . . 4143 1 595 . 1 1 77 77 ILE HG22 H 1 0.739 . . 1 . . . . . . . . 4143 1 596 . 1 1 77 77 ILE HG23 H 1 0.739 . . 1 . . . . . . . . 4143 1 597 . 1 1 77 77 ILE N N 15 117.638 . . 1 . . . . . . . . 4143 1 598 . 1 1 78 78 LEU H H 1 8.76 . . 1 . . . . . . . . 4143 1 599 . 1 1 78 78 LEU HA H 1 4.03 . . 1 . . . . . . . . 4143 1 600 . 1 1 78 78 LEU HB3 H 1 1.690 . . 2 . . . . . . . . 4143 1 601 . 1 1 78 78 LEU HB2 H 1 1.531 . . 2 . . . . . . . . 4143 1 602 . 1 1 78 78 LEU HG H 1 1.600 . . 1 . . . . . . . . 4143 1 603 . 1 1 78 78 LEU HD11 H 1 0.822 . . 2 . . . . . . . . 4143 1 604 . 1 1 78 78 LEU HD12 H 1 0.822 . . 2 . . . . . . . . 4143 1 605 . 1 1 78 78 LEU HD13 H 1 0.822 . . 2 . . . . . . . . 4143 1 606 . 1 1 78 78 LEU HD21 H 1 0.886 . . 2 . . . . . . . . 4143 1 607 . 1 1 78 78 LEU HD22 H 1 0.886 . . 2 . . . . . . . . 4143 1 608 . 1 1 78 78 LEU HD23 H 1 0.886 . . 2 . . . . . . . . 4143 1 609 . 1 1 78 78 LEU N N 15 127.372 . . 1 . . . . . . . . 4143 1 610 . 1 1 79 79 ALA H H 1 8.92 . . 1 . . . . . . . . 4143 1 611 . 1 1 79 79 ALA HA H 1 4.10 . . 1 . . . . . . . . 4143 1 612 . 1 1 79 79 ALA HB1 H 1 1.329 . . 1 . . . . . . . . 4143 1 613 . 1 1 79 79 ALA HB2 H 1 1.329 . . 1 . . . . . . . . 4143 1 614 . 1 1 79 79 ALA HB3 H 1 1.329 . . 1 . . . . . . . . 4143 1 615 . 1 1 79 79 ALA N N 15 117.085 . . 1 . . . . . . . . 4143 1 616 . 1 1 80 80 ARG H H 1 6.93 . . 1 . . . . . . . . 4143 1 617 . 1 1 80 80 ARG HA H 1 4.52 . . 1 . . . . . . . . 4143 1 618 . 1 1 80 80 ARG HB3 H 1 1.306 . . 2 . . . . . . . . 4143 1 619 . 1 1 80 80 ARG HB2 H 1 2.164 . . 2 . . . . . . . . 4143 1 620 . 1 1 80 80 ARG HG2 H 1 1.439 . . 2 . . . . . . . . 4143 1 621 . 1 1 80 80 ARG HG3 H 1 1.474 . . 2 . . . . . . . . 4143 1 622 . 1 1 80 80 ARG HD2 H 1 3.111 . . 2 . . . . . . . . 4143 1 623 . 1 1 80 80 ARG HD3 H 1 3.052 . . 2 . . . . . . . . 4143 1 624 . 1 1 80 80 ARG HE H 1 7.327 . . 1 . . . . . . . . 4143 1 625 . 1 1 80 80 ARG N N 15 118.552 . . 1 . . . . . . . . 4143 1 626 . 1 1 80 80 ARG NE N 15 122.165 . . 1 . . . . . . . . 4143 1 627 . 1 1 81 81 GLY H H 1 7.82 . . 1 . . . . . . . . 4143 1 628 . 1 1 81 81 GLY HA2 H 1 3.94 . . 2 . . . . . . . . 4143 1 629 . 1 1 81 81 GLY HA3 H 1 3.87 . . 2 . . . . . . . . 4143 1 630 . 1 1 81 81 GLY N N 15 106.869 . . 1 . . . . . . . . 4143 1 631 . 1 1 82 82 GLU H H 1 7.01 . . 1 . . . . . . . . 4143 1 632 . 1 1 82 82 GLU HA H 1 4.49 . . 1 . . . . . . . . 4143 1 633 . 1 1 82 82 GLU HB3 H 1 1.610 . . 2 . . . . . . . . 4143 1 634 . 1 1 82 82 GLU HB2 H 1 1.870 . . 2 . . . . . . . . 4143 1 635 . 1 1 82 82 GLU HG2 H 1 2.083 . . 1 . . . . . . . . 4143 1 636 . 1 1 82 82 GLU HG3 H 1 2.083 . . 1 . . . . . . . . 4143 1 637 . 1 1 82 82 GLU N N 15 115.247 . . 1 . . . . . . . . 4143 1 638 . 1 1 83 83 ILE H H 1 8.57 . . 1 . . . . . . . . 4143 1 639 . 1 1 83 83 ILE HA H 1 5.05 . . 1 . . . . . . . . 4143 1 640 . 1 1 83 83 ILE HB H 1 1.725 . . 1 . . . . . . . . 4143 1 641 . 1 1 83 83 ILE HG21 H 1 0.849 . . 1 . . . . . . . . 4143 1 642 . 1 1 83 83 ILE HG22 H 1 0.849 . . 1 . . . . . . . . 4143 1 643 . 1 1 83 83 ILE HG23 H 1 0.849 . . 1 . . . . . . . . 4143 1 644 . 1 1 83 83 ILE HD11 H 1 0.754 . . 1 . . . . . . . . 4143 1 645 . 1 1 83 83 ILE HD12 H 1 0.754 . . 1 . . . . . . . . 4143 1 646 . 1 1 83 83 ILE HD13 H 1 0.754 . . 1 . . . . . . . . 4143 1 647 . 1 1 83 83 ILE N N 15 120.899 . . 1 . . . . . . . . 4143 1 648 . 1 1 84 84 ASN H H 1 9.11 . . 1 . . . . . . . . 4143 1 649 . 1 1 84 84 ASN HA H 1 4.98 . . 1 . . . . . . . . 4143 1 650 . 1 1 84 84 ASN HB3 H 1 2.570 . . 2 . . . . . . . . 4143 1 651 . 1 1 84 84 ASN HB2 H 1 2.884 . . 2 . . . . . . . . 4143 1 652 . 1 1 84 84 ASN HD21 H 1 7.821 . . 2 . . . . . . . . 4143 1 653 . 1 1 84 84 ASN HD22 H 1 7.142 . . 2 . . . . . . . . 4143 1 654 . 1 1 84 84 ASN N N 15 121.434 . . 1 . . . . . . . . 4143 1 655 . 1 1 84 84 ASN ND2 N 15 107.894 . . 1 . . . . . . . . 4143 1 656 . 1 1 85 85 PHE H H 1 8.13 . . 1 . . . . . . . . 4143 1 657 . 1 1 85 85 PHE HA H 1 5.81 . . 1 . . . . . . . . 4143 1 658 . 1 1 85 85 PHE HB3 H 1 2.880 . . 2 . . . . . . . . 4143 1 659 . 1 1 85 85 PHE HB2 H 1 2.601 . . 2 . . . . . . . . 4143 1 660 . 1 1 85 85 PHE HD1 H 1 6.643 . . 1 . . . . . . . . 4143 1 661 . 1 1 85 85 PHE HD2 H 1 6.643 . . 1 . . . . . . . . 4143 1 662 . 1 1 85 85 PHE HE1 H 1 7.211 . . 1 . . . . . . . . 4143 1 663 . 1 1 85 85 PHE HE2 H 1 7.211 . . 1 . . . . . . . . 4143 1 664 . 1 1 85 85 PHE N N 15 115.564 . . 1 . . . . . . . . 4143 1 665 . 1 1 86 86 LYS H H 1 8.24 . . 1 . . . . . . . . 4143 1 666 . 1 1 86 86 LYS HA H 1 4.13 . . 1 . . . . . . . . 4143 1 667 . 1 1 86 86 LYS HB3 H 1 1.119 . . 2 . . . . . . . . 4143 1 668 . 1 1 86 86 LYS HB2 H 1 0.461 . . 2 . . . . . . . . 4143 1 669 . 1 1 86 86 LYS HG2 H 1 0.726 . . 2 . . . . . . . . 4143 1 670 . 1 1 86 86 LYS HG3 H 1 0.813 . . 2 . . . . . . . . 4143 1 671 . 1 1 86 86 LYS HD2 H 1 1.495 . . 1 . . . . . . . . 4143 1 672 . 1 1 86 86 LYS HD3 H 1 1.495 . . 1 . . . . . . . . 4143 1 673 . 1 1 86 86 LYS HE2 H 1 2.792 . . 2 . . . . . . . . 4143 1 674 . 1 1 86 86 LYS HE3 H 1 2.915 . . 2 . . . . . . . . 4143 1 675 . 1 1 86 86 LYS N N 15 117.972 . . 1 . . . . . . . . 4143 1 676 . 1 1 87 87 ASP H H 1 8.62 . . 1 . . . . . . . . 4143 1 677 . 1 1 87 87 ASP HA H 1 5.24 . . 1 . . . . . . . . 4143 1 678 . 1 1 87 87 ASP HB3 H 1 2.511 . . 2 . . . . . . . . 4143 1 679 . 1 1 87 87 ASP HB2 H 1 2.253 . . 2 . . . . . . . . 4143 1 680 . 1 1 87 87 ASP N N 15 123.804 . . 1 . . . . . . . . 4143 1 681 . 1 1 88 88 ILE H H 1 9.51 . . 1 . . . . . . . . 4143 1 682 . 1 1 88 88 ILE HA H 1 4.14 . . 1 . . . . . . . . 4143 1 683 . 1 1 88 88 ILE HB H 1 2.148 . . 1 . . . . . . . . 4143 1 684 . 1 1 88 88 ILE HG12 H 1 0.978 . . 1 . . . . . . . . 4143 1 685 . 1 1 88 88 ILE HG13 H 1 0.978 . . 1 . . . . . . . . 4143 1 686 . 1 1 88 88 ILE HG21 H 1 1.105 . . 1 . . . . . . . . 4143 1 687 . 1 1 88 88 ILE HG22 H 1 1.105 . . 1 . . . . . . . . 4143 1 688 . 1 1 88 88 ILE HG23 H 1 1.105 . . 1 . . . . . . . . 4143 1 689 . 1 1 88 88 ILE HD11 H 1 1.016 . . 1 . . . . . . . . 4143 1 690 . 1 1 88 88 ILE HD12 H 1 1.016 . . 1 . . . . . . . . 4143 1 691 . 1 1 88 88 ILE HD13 H 1 1.016 . . 1 . . . . . . . . 4143 1 692 . 1 1 88 88 ILE N N 15 125.114 . . 1 . . . . . . . . 4143 1 693 . 1 1 89 89 GLN H H 1 9.03 . . 1 . . . . . . . . 4143 1 694 . 1 1 89 89 GLN HA H 1 4.55 . . 1 . . . . . . . . 4143 1 695 . 1 1 89 89 GLN HB3 H 1 1.898 . . 2 . . . . . . . . 4143 1 696 . 1 1 89 89 GLN HB2 H 1 1.940 . . 2 . . . . . . . . 4143 1 697 . 1 1 89 89 GLN HG2 H 1 2.251 . . 2 . . . . . . . . 4143 1 698 . 1 1 89 89 GLN HG3 H 1 2.304 . . 2 . . . . . . . . 4143 1 699 . 1 1 89 89 GLN HE21 H 1 7.460 . . 2 . . . . . . . . 4143 1 700 . 1 1 89 89 GLN HE22 H 1 6.889 . . 2 . . . . . . . . 4143 1 701 . 1 1 89 89 GLN N N 15 126.945 . . 1 . . . . . . . . 4143 1 702 . 1 1 89 89 GLN NE2 N 15 109.204 . . 1 . . . . . . . . 4143 1 703 . 1 1 90 90 VAL H H 1 9.24 . . 1 . . . . . . . . 4143 1 704 . 1 1 90 90 VAL HA H 1 5.05 . . 1 . . . . . . . . 4143 1 705 . 1 1 90 90 VAL HB H 1 2.390 . . 1 . . . . . . . . 4143 1 706 . 1 1 90 90 VAL HG11 H 1 0.779 . . 2 . . . . . . . . 4143 1 707 . 1 1 90 90 VAL HG12 H 1 0.779 . . 2 . . . . . . . . 4143 1 708 . 1 1 90 90 VAL HG13 H 1 0.779 . . 2 . . . . . . . . 4143 1 709 . 1 1 90 90 VAL HG21 H 1 0.932 . . 2 . . . . . . . . 4143 1 710 . 1 1 90 90 VAL HG22 H 1 0.932 . . 2 . . . . . . . . 4143 1 711 . 1 1 90 90 VAL HG23 H 1 0.932 . . 2 . . . . . . . . 4143 1 712 . 1 1 90 90 VAL N N 15 127.337 . . 1 . . . . . . . . 4143 1 713 . 1 1 91 91 ILE H H 1 8.70 . . 1 . . . . . . . . 4143 1 714 . 1 1 91 91 ILE HA H 1 4.40 . . 1 . . . . . . . . 4143 1 715 . 1 1 91 91 ILE HB H 1 1.488 . . 1 . . . . . . . . 4143 1 716 . 1 1 91 91 ILE HG12 H 1 1.056 . . 1 . . . . . . . . 4143 1 717 . 1 1 91 91 ILE HG13 H 1 1.056 . . 1 . . . . . . . . 4143 1 718 . 1 1 91 91 ILE HG21 H 1 0.839 . . 1 . . . . . . . . 4143 1 719 . 1 1 91 91 ILE HG22 H 1 0.839 . . 1 . . . . . . . . 4143 1 720 . 1 1 91 91 ILE HG23 H 1 0.839 . . 1 . . . . . . . . 4143 1 721 . 1 1 91 91 ILE HD11 H 1 0.736 . . 1 . . . . . . . . 4143 1 722 . 1 1 91 91 ILE HD12 H 1 0.736 . . 1 . . . . . . . . 4143 1 723 . 1 1 91 91 ILE HD13 H 1 0.736 . . 1 . . . . . . . . 4143 1 724 . 1 1 91 91 ILE N N 15 129.083 . . 1 . . . . . . . . 4143 1 725 . 1 1 92 92 VAL H H 1 9.19 . . 1 . . . . . . . . 4143 1 726 . 1 1 92 92 VAL HB H 1 1.879 . . 1 . . . . . . . . 4143 1 727 . 1 1 92 92 VAL HG11 H 1 0.777 . . 2 . . . . . . . . 4143 1 728 . 1 1 92 92 VAL HG12 H 1 0.777 . . 2 . . . . . . . . 4143 1 729 . 1 1 92 92 VAL HG13 H 1 0.777 . . 2 . . . . . . . . 4143 1 730 . 1 1 92 92 VAL HG21 H 1 0.619 . . 2 . . . . . . . . 4143 1 731 . 1 1 92 92 VAL HG22 H 1 0.619 . . 2 . . . . . . . . 4143 1 732 . 1 1 92 92 VAL HG23 H 1 0.619 . . 2 . . . . . . . . 4143 1 733 . 1 1 92 92 VAL N N 15 125.659 . . 1 . . . . . . . . 4143 1 stop_ save_