data_5764 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5764 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments for the Nuclear Factor ALY RBD Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-04-07 _Entry.Accession_date 2003-04-08 _Entry.Last_release_date 2003-08-08 _Entry.Original_release_date 2003-08-08 _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 Gabriela Perez-Alvarado . C. . 5764 2 Maria Martinez-Yamout . . . 5764 3 Melissa Allen . M. . 5764 4 Rudolf Grosschedl . . . 5764 5 H. Dyson . Jane . 5764 6 Peter Wright . E. . 5764 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5764 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 699 5764 '13C chemical shifts' 419 5764 '15N chemical shifts' 111 5764 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 . . 2003-08-08 2003-04-07 original author . 5764 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5764 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12809490 _Citation.Full_citation . _Citation.Title ; Structure of the Nuclear Factor ALY: Insights into Post-transcriptional Regulatory and mRNA Nuclear Export Processes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 24 _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 7348 _Citation.Page_last 7357 _Citation.Year 2003 _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 Gabriela Perez-Alvarado . C. . 5764 1 2 Maria Martinez-Yamout . . . 5764 1 3 Melissa Allen . M. . 5764 1 4 Rudolf Grosschedl . . . 5764 1 5 H. Dyson . Jane . 5764 1 6 Peter Wright . E. . 5764 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID RBD 5764 1 ALY 5764 1 REF1-I 5764 1 BEF 5764 1 'mRNA EXPORT FACTOR' 5764 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ALY _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ALY _Assembly.Entry_ID 5764 _Assembly.ID 1 _Assembly.Name ALY _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 'not present' _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 5764 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 'ALY monomer' 1 $ALY . . . native . . . . . 5764 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1NO8 . 'SOLUTION STRUCTURE OF THE NUCLEAR FACTOR ALY RBD DOMAIN' . . . . 5764 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ALY system 5764 1 ALY abbreviation 5764 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA export factor' 5764 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ALY _Entity.Sf_category entity _Entity.Sf_framecode ALY _Entity.Entry_ID 5764 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ALY _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 ; SRPKQLPDKWQHDLFDSGFG GGAGVETGGKLLVSNLDFGV SDADIQELFAEFGTLKKAAV HYDRSGRSLGTADVHFERKA DALKAMKQYNGVPLDGRPMN IQLVTS ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1NO8 . "Solution Structure Of The Nuclear Factor Aly Rbd Domain" . . . . . 100.00 106 100.00 100.00 2.36e-70 . . . . 5764 1 2 no PDB 3ULH . "Crystal Structure Of A Rna Binding Domain Of Tho Complex Subunit 4 Protein (Thoc4) From Homo Sapiens At 2.54 A Resolution" . . . . . 100.00 107 98.11 98.11 4.06e-68 . . . . 5764 1 3 no EMBL CAB76383 . "RNA and export factor binding protein 1-II [Mus musculus]" . . . . . 72.64 163 100.00 100.00 7.49e-47 . . . . 5764 1 4 no EMBL CAJ81934 . "THO complex 4 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 260 98.11 99.06 4.38e-68 . . . . 5764 1 5 no GB AAC53117 . "ALY [Mus musculus]" . . . . . 100.00 255 100.00 100.00 4.76e-70 . . . . 5764 1 6 no GB AAD09608 . "transcriptional coactivator ALY, partial [Homo sapiens]" . . . . . 100.00 233 98.11 99.06 5.86e-69 . . . . 5764 1 7 no GB AAH52302 . "THO complex 4 [Homo sapiens]" . . . . . 100.00 257 100.00 100.00 4.44e-70 . . . . 5764 1 8 no GB AAH92013 . "MGC84954 protein [Xenopus laevis]" . . . . . 100.00 256 98.11 99.06 3.45e-68 . . . . 5764 1 9 no GB AAI02385 . "THO complex 4 [Bos taurus]" . . . . . 100.00 257 100.00 100.00 5.01e-70 . . . . 5764 1 10 no REF NP_001017027 . "THO complex subunit 4 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 260 98.11 99.06 4.38e-68 . . . . 5764 1 11 no REF NP_001030494 . "THO complex subunit 4 [Bos taurus]" . . . . . 100.00 257 100.00 100.00 5.01e-70 . . . . 5764 1 12 no REF NP_001089314 . "THO complex subunit 4-A [Xenopus laevis]" . . . . . 100.00 256 98.11 99.06 3.45e-68 . . . . 5764 1 13 no REF NP_001103072 . "THO complex subunit 4 [Rattus norvegicus]" . . . . . 89.62 189 100.00 100.00 1.39e-60 . . . . 5764 1 14 no REF NP_001232343 . "THO complex subunit 4 [Taeniopygia guttata]" . . . . . 100.00 254 98.11 99.06 5.07e-68 . . . . 5764 1 15 no SP B5FXN8 . "RecName: Full=THO complex subunit 4; Short=Tho4; AltName: Full=Aly/REF export factor [Taeniopygia guttata]" . . . . . 100.00 254 98.11 99.06 3.47e-68 . . . . 5764 1 16 no SP O08583 . "RecName: Full=THO complex subunit 4; Short=Tho4; AltName: Full=Ally of AML-1 and LEF-1; AltName: Full=Aly/REF export factor; Al" . . . . . 100.00 255 100.00 100.00 4.76e-70 . . . . 5764 1 17 no SP Q28FB9 . "RecName: Full=THO complex subunit 4; Short=Tho4; AltName: Full=Aly/REF export factor [Xenopus (Silurana) tropicalis]" . . . . . 100.00 260 98.11 99.06 4.38e-68 . . . . 5764 1 18 no SP Q3T0I4 . "RecName: Full=THO complex subunit 4; Short=Tho4; AltName: Full=Ally of AML-1 and LEF-1; AltName: Full=Aly/REF export factor; Al" . . . . . 100.00 257 100.00 100.00 5.01e-70 . . . . 5764 1 19 no SP Q58EA2 . "RecName: Full=THO complex subunit 4-A; Short=Tho4-A; AltName: Full=Aly/REF export factor-A [Xenopus laevis]" . . . . . 100.00 256 98.11 99.06 3.45e-68 . . . . 5764 1 20 no TPG DAA18257 . "TPA: THO complex subunit 4 [Bos taurus]" . . . . . 100.00 257 100.00 100.00 5.01e-70 . . . . 5764 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ALY common 5764 1 ALY abbreviation 5764 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 77 SER . 5764 1 2 78 ARG . 5764 1 3 79 PRO . 5764 1 4 80 LYS . 5764 1 5 81 GLN . 5764 1 6 82 LEU . 5764 1 7 83 PRO . 5764 1 8 84 ASP . 5764 1 9 85 LYS . 5764 1 10 86 TRP . 5764 1 11 87 GLN . 5764 1 12 88 HIS . 5764 1 13 89 ASP . 5764 1 14 90 LEU . 5764 1 15 91 PHE . 5764 1 16 92 ASP . 5764 1 17 93 SER . 5764 1 18 94 GLY . 5764 1 19 95 PHE . 5764 1 20 96 GLY . 5764 1 21 97 GLY . 5764 1 22 98 GLY . 5764 1 23 99 ALA . 5764 1 24 100 GLY . 5764 1 25 101 VAL . 5764 1 26 102 GLU . 5764 1 27 103 THR . 5764 1 28 104 GLY . 5764 1 29 105 GLY . 5764 1 30 106 LYS . 5764 1 31 107 LEU . 5764 1 32 108 LEU . 5764 1 33 109 VAL . 5764 1 34 110 SER . 5764 1 35 111 ASN . 5764 1 36 112 LEU . 5764 1 37 113 ASP . 5764 1 38 114 PHE . 5764 1 39 115 GLY . 5764 1 40 116 VAL . 5764 1 41 117 SER . 5764 1 42 118 ASP . 5764 1 43 119 ALA . 5764 1 44 120 ASP . 5764 1 45 121 ILE . 5764 1 46 122 GLN . 5764 1 47 123 GLU . 5764 1 48 124 LEU . 5764 1 49 125 PHE . 5764 1 50 126 ALA . 5764 1 51 127 GLU . 5764 1 52 128 PHE . 5764 1 53 129 GLY . 5764 1 54 130 THR . 5764 1 55 131 LEU . 5764 1 56 132 LYS . 5764 1 57 133 LYS . 5764 1 58 134 ALA . 5764 1 59 135 ALA . 5764 1 60 136 VAL . 5764 1 61 137 HIS . 5764 1 62 138 TYR . 5764 1 63 139 ASP . 5764 1 64 140 ARG . 5764 1 65 141 SER . 5764 1 66 142 GLY . 5764 1 67 143 ARG . 5764 1 68 144 SER . 5764 1 69 145 LEU . 5764 1 70 146 GLY . 5764 1 71 147 THR . 5764 1 72 148 ALA . 5764 1 73 149 ASP . 5764 1 74 150 VAL . 5764 1 75 151 HIS . 5764 1 76 152 PHE . 5764 1 77 153 GLU . 5764 1 78 154 ARG . 5764 1 79 155 LYS . 5764 1 80 156 ALA . 5764 1 81 157 ASP . 5764 1 82 158 ALA . 5764 1 83 159 LEU . 5764 1 84 160 LYS . 5764 1 85 161 ALA . 5764 1 86 162 MET . 5764 1 87 163 LYS . 5764 1 88 164 GLN . 5764 1 89 165 TYR . 5764 1 90 166 ASN . 5764 1 91 167 GLY . 5764 1 92 168 VAL . 5764 1 93 169 PRO . 5764 1 94 170 LEU . 5764 1 95 171 ASP . 5764 1 96 172 GLY . 5764 1 97 173 ARG . 5764 1 98 174 PRO . 5764 1 99 175 MET . 5764 1 100 176 ASN . 5764 1 101 177 ILE . 5764 1 102 178 GLN . 5764 1 103 179 LEU . 5764 1 104 180 VAL . 5764 1 105 181 THR . 5764 1 106 182 SER . 5764 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 5764 1 . ARG 2 2 5764 1 . PRO 3 3 5764 1 . LYS 4 4 5764 1 . GLN 5 5 5764 1 . LEU 6 6 5764 1 . PRO 7 7 5764 1 . ASP 8 8 5764 1 . LYS 9 9 5764 1 . TRP 10 10 5764 1 . GLN 11 11 5764 1 . HIS 12 12 5764 1 . ASP 13 13 5764 1 . LEU 14 14 5764 1 . PHE 15 15 5764 1 . ASP 16 16 5764 1 . SER 17 17 5764 1 . GLY 18 18 5764 1 . PHE 19 19 5764 1 . GLY 20 20 5764 1 . GLY 21 21 5764 1 . GLY 22 22 5764 1 . ALA 23 23 5764 1 . GLY 24 24 5764 1 . VAL 25 25 5764 1 . GLU 26 26 5764 1 . THR 27 27 5764 1 . GLY 28 28 5764 1 . GLY 29 29 5764 1 . LYS 30 30 5764 1 . LEU 31 31 5764 1 . LEU 32 32 5764 1 . VAL 33 33 5764 1 . SER 34 34 5764 1 . ASN 35 35 5764 1 . LEU 36 36 5764 1 . ASP 37 37 5764 1 . PHE 38 38 5764 1 . GLY 39 39 5764 1 . VAL 40 40 5764 1 . SER 41 41 5764 1 . ASP 42 42 5764 1 . ALA 43 43 5764 1 . ASP 44 44 5764 1 . ILE 45 45 5764 1 . GLN 46 46 5764 1 . GLU 47 47 5764 1 . LEU 48 48 5764 1 . PHE 49 49 5764 1 . ALA 50 50 5764 1 . GLU 51 51 5764 1 . PHE 52 52 5764 1 . GLY 53 53 5764 1 . THR 54 54 5764 1 . LEU 55 55 5764 1 . LYS 56 56 5764 1 . LYS 57 57 5764 1 . ALA 58 58 5764 1 . ALA 59 59 5764 1 . VAL 60 60 5764 1 . HIS 61 61 5764 1 . TYR 62 62 5764 1 . ASP 63 63 5764 1 . ARG 64 64 5764 1 . SER 65 65 5764 1 . GLY 66 66 5764 1 . ARG 67 67 5764 1 . SER 68 68 5764 1 . LEU 69 69 5764 1 . GLY 70 70 5764 1 . THR 71 71 5764 1 . ALA 72 72 5764 1 . ASP 73 73 5764 1 . VAL 74 74 5764 1 . HIS 75 75 5764 1 . PHE 76 76 5764 1 . GLU 77 77 5764 1 . ARG 78 78 5764 1 . LYS 79 79 5764 1 . ALA 80 80 5764 1 . ASP 81 81 5764 1 . ALA 82 82 5764 1 . LEU 83 83 5764 1 . LYS 84 84 5764 1 . ALA 85 85 5764 1 . MET 86 86 5764 1 . LYS 87 87 5764 1 . GLN 88 88 5764 1 . TYR 89 89 5764 1 . ASN 90 90 5764 1 . GLY 91 91 5764 1 . VAL 92 92 5764 1 . PRO 93 93 5764 1 . LEU 94 94 5764 1 . ASP 95 95 5764 1 . GLY 96 96 5764 1 . ARG 97 97 5764 1 . PRO 98 98 5764 1 . MET 99 99 5764 1 . ASN 100 100 5764 1 . ILE 101 101 5764 1 . GLN 102 102 5764 1 . LEU 103 103 5764 1 . VAL 104 104 5764 1 . THR 105 105 5764 1 . SER 106 106 5764 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 5764 _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 $ALY . 10090 . . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . nucleus . . . ALY . . . . 5764 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 5764 _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 $ALY . 'recombinant technology' 'Escherichia Escherichia coli' 'E. coli' . . Escherichia 'Escherichia coli' BL21(DE3) . . . . . . . . . . . . . . . pet21a . . . . . . 5764 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5764 _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 ALY [U-15N] . . 1 $ALY . . 0.5 . . mM . . . . 5764 1 2 Tris-HCl-d8 . . . . . . . 20 . . mM . . . . 5764 1 3 NaCl . . . . . . . 100 . . mM . . . . 5764 1 4 H2O . . . . . . . 90 . . % . . . . 5764 1 5 D2O . . . . . . . 10 . . % . . . . 5764 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5764 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ALY '[U-15N; U-13C]' . . 1 $ALY . . 0.5 . . mM . . . . 5764 2 2 Tris-HCl-d8 . . . . . . . 20 . . mM . . . . 5764 2 3 NaCl . . . . . . . 100 . . mM . . . . 5764 2 4 H2O . . . . . . . 90 . . % . . . . 5764 2 5 D2O . . . . . . . 10 . . % . . . . 5764 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5764 _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 6.5 0.05 n/a 5764 1 temperature 296 0.1 K 5764 1 'ionic strength' 100 . mM 5764 1 pressure 1 . atm 5764 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 5764 _Sample_condition_list.ID 2 _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 6.5 0.05 n/a 5764 2 temperature 289 0.1 K 5764 2 'ionic strength' 100 . mM 5764 2 pressure 1 . atm 5764 2 stop_ save_ save_sample_cond_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_3 _Sample_condition_list.Entry_ID 5764 _Sample_condition_list.ID 3 _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 5.9 0.05 n/a 5764 3 temperature 296 0.1 K 5764 3 'ionic strength' 100 . mM 5764 3 pressure 1 . atm 5764 3 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5764 _Software.ID 1 _Software.Name XWINNMR _Software.Version 2.1 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5764 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5764 _Software.ID 2 _Software.Name NMRPipe _Software.Version '1.8, 2.1' _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Guang, Z., Pfeifer, J. and Bax, A. (1995) J. Biomol. NMR 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5764 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 5764 _Software.ID 3 _Software.Name NMRDraw _Software.Version '1.8, 2.1' _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Guang, Z., Pfeifer, J. and Bax, A. (1995) J. Biomol. NMR 6, 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5764 3 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 5764 _Software.ID 4 _Software.Name NMRVIEW _Software.Version 3 _Software.Details 'Johnson, B.A. and Blevins, R.A. (1994) J. Biomol. NMR 4, 603-614' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5764 4 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 5764 _Software.ID 5 _Software.Name DYANA _Software.Version 1.5 _Software.Details 'Gunter, P., Mumenthaler, C. and Wuthrich, K. (1997) J. Mol. Biol. 273, 283-298.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5764 5 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 5764 _Software.ID 6 _Software.Name AMBER _Software.Version '6, 7' _Software.Details ; Case, D.A., Pearlman, D.A., Caldwell, J.W., Cheatham III, T.E., Wang, J., Ross, W.S. Simmerling, C., Darden, T., Merz, K.M., Stanton, R.V., Cheng, A., Vincent, J.J. Crowley, M., Tsui, V., Gohlke, H., Radmer, R., et al. and Kollman, P.A. (1999) University of California, San Francisco. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5764 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5764 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5764 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5764 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5764 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 5764 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5764 1 3 NMR_spectrometer_3 Bruker AMX . 500 . . . 5764 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 5764 _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 '3D 15N-separated_NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 2 '3D 13C-HMQC-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 3 '3D 15N/13C-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 4 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 6 HN(CA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 7 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 8 C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 9 HC(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 10 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 11 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 12 CCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 13 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 14 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 15 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 16 '3D 13C-separated_NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5764 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated_NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-HMQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 15N/13C-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name C(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name CCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HNHB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 5764 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '3D 13C-separated_NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5764 _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 0.0 internal direct 1.0 . . . . . . . . . 5764 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5764 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5764 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5764 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5764 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 2 2 ARG CA C 13 54.230 0.08 . 1 . . . . . . . . 5764 1 2 . 1 1 2 2 ARG HA H 1 4.690 0.02 . 1 . . . . . . . . 5764 1 3 . 1 1 2 2 ARG CD C 13 43.420 0.08 . 1 . . . . . . . . 5764 1 4 . 1 1 2 2 ARG HD3 H 1 3.210 0.02 . 1 . . . . . . . . 5764 1 5 . 1 1 2 2 ARG HD2 H 1 3.210 0.02 . 1 . . . . . . . . 5764 1 6 . 1 1 3 3 PRO CA C 13 63.189 0.08 . 1 . . . . . . . . 5764 1 7 . 1 1 3 3 PRO HA H 1 4.444 0.02 . 1 . . . . . . . . 5764 1 8 . 1 1 3 3 PRO C C 13 176.719 0.08 . 1 . . . . . . . . 5764 1 9 . 1 1 3 3 PRO CB C 13 32.228 0.08 . 1 . . . . . . . . 5764 1 10 . 1 1 3 3 PRO HB3 H 1 2.300 0.02 . 2 . . . . . . . . 5764 1 11 . 1 1 3 3 PRO CG C 13 27.470 0.08 . 1 . . . . . . . . 5764 1 12 . 1 1 3 3 PRO HG3 H 1 2.010 0.02 . 1 . . . . . . . . 5764 1 13 . 1 1 3 3 PRO CD C 13 50.710 0.08 . 1 . . . . . . . . 5764 1 14 . 1 1 3 3 PRO HD3 H 1 3.850 0.02 . 2 . . . . . . . . 5764 1 15 . 1 1 3 3 PRO HB2 H 1 1.890 0.02 . 2 . . . . . . . . 5764 1 16 . 1 1 3 3 PRO HG2 H 1 2.010 0.02 . 1 . . . . . . . . 5764 1 17 . 1 1 3 3 PRO HD2 H 1 3.610 0.02 . 2 . . . . . . . . 5764 1 18 . 1 1 4 4 LYS H H 1 8.463 0.02 . 1 . . . . . . . . 5764 1 19 . 1 1 4 4 LYS N N 15 121.916 0.07 . 1 . . . . . . . . 5764 1 20 . 1 1 4 4 LYS CA C 13 56.591 0.08 . 1 . . . . . . . . 5764 1 21 . 1 1 4 4 LYS HA H 1 4.217 0.02 . 1 . . . . . . . . 5764 1 22 . 1 1 4 4 LYS C C 13 176.464 0.08 . 1 . . . . . . . . 5764 1 23 . 1 1 4 4 LYS CB C 13 33.166 0.08 . 1 . . . . . . . . 5764 1 24 . 1 1 4 4 LYS HB3 H 1 1.790 0.02 . 2 . . . . . . . . 5764 1 25 . 1 1 4 4 LYS CG C 13 24.930 0.08 . 1 . . . . . . . . 5764 1 26 . 1 1 4 4 LYS HG3 H 1 1.460 0.02 . 2 . . . . . . . . 5764 1 27 . 1 1 4 4 LYS CD C 13 29.230 0.08 . 1 . . . . . . . . 5764 1 28 . 1 1 4 4 LYS HD3 H 1 1.940 0.02 . 1 . . . . . . . . 5764 1 29 . 1 1 4 4 LYS HE3 H 1 2.100 0.02 . 1 . . . . . . . . 5764 1 30 . 1 1 4 4 LYS HB2 H 1 1.750 0.02 . 2 . . . . . . . . 5764 1 31 . 1 1 4 4 LYS HG2 H 1 1.430 0.02 . 2 . . . . . . . . 5764 1 32 . 1 1 4 4 LYS HD2 H 1 1.940 0.02 . 1 . . . . . . . . 5764 1 33 . 1 1 4 4 LYS HE2 H 1 2.100 0.02 . 1 . . . . . . . . 5764 1 34 . 1 1 5 5 GLN H H 1 8.381 0.02 . 1 . . . . . . . . 5764 1 35 . 1 1 5 5 GLN N N 15 121.523 0.07 . 1 . . . . . . . . 5764 1 36 . 1 1 5 5 GLN CA C 13 55.552 0.08 . 1 . . . . . . . . 5764 1 37 . 1 1 5 5 GLN HA H 1 4.356 0.02 . 1 . . . . . . . . 5764 1 38 . 1 1 5 5 GLN C C 13 175.505 0.08 . 1 . . . . . . . . 5764 1 39 . 1 1 5 5 GLN CB C 13 29.991 0.08 . 1 . . . . . . . . 5764 1 40 . 1 1 5 5 GLN HB3 H 1 2.010 0.02 . 1 . . . . . . . . 5764 1 41 . 1 1 5 5 GLN CG C 13 33.770 0.08 . 1 . . . . . . . . 5764 1 42 . 1 1 5 5 GLN HG3 H 1 2.340 0.02 . 1 . . . . . . . . 5764 1 43 . 1 1 5 5 GLN NE2 N 15 112.656 0.07 . 1 . . . . . . . . 5764 1 44 . 1 1 5 5 GLN HE22 H 1 6.883 0.02 . 2 . . . . . . . . 5764 1 45 . 1 1 5 5 GLN HE21 H 1 7.577 0.02 . 2 . . . . . . . . 5764 1 46 . 1 1 5 5 GLN HB2 H 1 2.010 0.02 . 1 . . . . . . . . 5764 1 47 . 1 1 5 5 GLN HG2 H 1 2.340 0.02 . 1 . . . . . . . . 5764 1 48 . 1 1 6 6 LEU H H 1 8.388 0.02 . 1 . . . . . . . . 5764 1 49 . 1 1 6 6 LEU N N 15 125.414 0.07 . 1 . . . . . . . . 5764 1 50 . 1 1 6 6 LEU CA C 13 52.672 0.08 . 1 . . . . . . . . 5764 1 51 . 1 1 6 6 LEU HA H 1 4.595 0.02 . 1 . . . . . . . . 5764 1 52 . 1 1 6 6 LEU CB C 13 41.930 0.08 . 1 . . . . . . . . 5764 1 53 . 1 1 6 6 LEU HB3 H 1 1.600 0.02 . 2 . . . . . . . . 5764 1 54 . 1 1 6 6 LEU CG C 13 27.100 0.08 . 1 . . . . . . . . 5764 1 55 . 1 1 6 6 LEU CD1 C 13 23.100 0.08 . 2 . . . . . . . . 5764 1 56 . 1 1 6 6 LEU CD2 C 13 25.110 0.08 . 2 . . . . . . . . 5764 1 57 . 1 1 6 6 LEU HG H 1 1.650 0.02 . 1 . . . . . . . . 5764 1 58 . 1 1 6 6 LEU HB2 H 1 1.520 0.02 . 2 . . . . . . . . 5764 1 59 . 1 1 6 6 LEU HD11 H 1 0.860 0.02 . 1 . . . . . . . . 5764 1 60 . 1 1 6 6 LEU HD12 H 1 0.860 0.02 . 1 . . . . . . . . 5764 1 61 . 1 1 6 6 LEU HD13 H 1 0.860 0.02 . 1 . . . . . . . . 5764 1 62 . 1 1 6 6 LEU HD21 H 1 0.860 0.02 . 1 . . . . . . . . 5764 1 63 . 1 1 6 6 LEU HD22 H 1 0.860 0.02 . 1 . . . . . . . . 5764 1 64 . 1 1 6 6 LEU HD23 H 1 0.860 0.02 . 1 . . . . . . . . 5764 1 65 . 1 1 7 7 PRO CA C 13 63.243 0.08 . 1 . . . . . . . . 5764 1 66 . 1 1 7 7 PRO HA H 1 4.400 0.02 . 1 . . . . . . . . 5764 1 67 . 1 1 7 7 PRO C C 13 176.624 0.08 . 1 . . . . . . . . 5764 1 68 . 1 1 7 7 PRO CB C 13 32.414 0.08 . 1 . . . . . . . . 5764 1 69 . 1 1 7 7 PRO HB3 H 1 2.260 0.02 . 2 . . . . . . . . 5764 1 70 . 1 1 7 7 PRO CG C 13 27.430 0.08 . 1 . . . . . . . . 5764 1 71 . 1 1 7 7 PRO HG3 H 1 1.980 0.02 . 1 . . . . . . . . 5764 1 72 . 1 1 7 7 PRO CD C 13 50.710 0.08 . 1 . . . . . . . . 5764 1 73 . 1 1 7 7 PRO HD3 H 1 3.800 0.02 . 2 . . . . . . . . 5764 1 74 . 1 1 7 7 PRO HB2 H 1 1.880 0.02 . 2 . . . . . . . . 5764 1 75 . 1 1 7 7 PRO HG2 H 1 1.980 0.02 . 1 . . . . . . . . 5764 1 76 . 1 1 7 7 PRO HD2 H 1 3.580 0.02 . 2 . . . . . . . . 5764 1 77 . 1 1 8 8 ASP H H 1 8.359 0.02 . 1 . . . . . . . . 5764 1 78 . 1 1 8 8 ASP N N 15 120.349 0.07 . 1 . . . . . . . . 5764 1 79 . 1 1 8 8 ASP CA C 13 54.768 0.08 . 1 . . . . . . . . 5764 1 80 . 1 1 8 8 ASP HA H 1 4.500 0.02 . 1 . . . . . . . . 5764 1 81 . 1 1 8 8 ASP C C 13 176.628 0.08 . 1 . . . . . . . . 5764 1 82 . 1 1 8 8 ASP CB C 13 41.483 0.08 . 1 . . . . . . . . 5764 1 83 . 1 1 8 8 ASP HB3 H 1 2.580 0.02 . 1 . . . . . . . . 5764 1 84 . 1 1 8 8 ASP HB2 H 1 2.580 0.02 . 1 . . . . . . . . 5764 1 85 . 1 1 9 9 LYS H H 1 8.172 0.02 . 1 . . . . . . . . 5764 1 86 . 1 1 9 9 LYS N N 15 120.401 0.07 . 1 . . . . . . . . 5764 1 87 . 1 1 9 9 LYS CA C 13 56.826 0.08 . 1 . . . . . . . . 5764 1 88 . 1 1 9 9 LYS HA H 1 4.180 0.02 . 1 . . . . . . . . 5764 1 89 . 1 1 9 9 LYS C C 13 176.310 0.08 . 1 . . . . . . . . 5764 1 90 . 1 1 9 9 LYS CB C 13 32.843 0.08 . 1 . . . . . . . . 5764 1 91 . 1 1 9 9 LYS HB3 H 1 1.640 0.02 . 1 . . . . . . . . 5764 1 92 . 1 1 9 9 LYS CG C 13 24.460 0.08 . 1 . . . . . . . . 5764 1 93 . 1 1 9 9 LYS HG3 H 1 1.220 0.02 . 1 . . . . . . . . 5764 1 94 . 1 1 9 9 LYS CD C 13 29.000 0.08 . 1 . . . . . . . . 5764 1 95 . 1 1 9 9 LYS CE C 13 41.630 0.08 . 1 . . . . . . . . 5764 1 96 . 1 1 9 9 LYS HB2 H 1 1.640 0.02 . 1 . . . . . . . . 5764 1 97 . 1 1 9 9 LYS HG2 H 1 1.220 0.02 . 1 . . . . . . . . 5764 1 98 . 1 1 10 10 TRP H H 1 8.037 0.02 . 1 . . . . . . . . 5764 1 99 . 1 1 10 10 TRP N N 15 120.918 0.07 . 1 . . . . . . . . 5764 1 100 . 1 1 10 10 TRP CA C 13 57.389 0.08 . 1 . . . . . . . . 5764 1 101 . 1 1 10 10 TRP HA H 1 4.656 0.02 . 1 . . . . . . . . 5764 1 102 . 1 1 10 10 TRP C C 13 176.224 0.08 . 1 . . . . . . . . 5764 1 103 . 1 1 10 10 TRP CB C 13 29.730 0.08 . 1 . . . . . . . . 5764 1 104 . 1 1 10 10 TRP HB3 H 1 3.260 0.02 . 1 . . . . . . . . 5764 1 105 . 1 1 10 10 TRP CD1 C 13 127.420 0.08 . 1 . . . . . . . . 5764 1 106 . 1 1 10 10 TRP HD1 H 1 7.230 0.02 . 1 . . . . . . . . 5764 1 107 . 1 1 10 10 TRP NE1 N 15 129.435 0.07 . 1 . . . . . . . . 5764 1 108 . 1 1 10 10 TRP HE1 H 1 10.172 0.02 . 1 . . . . . . . . 5764 1 109 . 1 1 10 10 TRP CE3 C 13 121.003 0.08 . 1 . . . . . . . . 5764 1 110 . 1 1 10 10 TRP HE3 H 1 7.596 0.02 . 1 . . . . . . . . 5764 1 111 . 1 1 10 10 TRP CZ2 C 13 114.690 0.08 . 1 . . . . . . . . 5764 1 112 . 1 1 10 10 TRP HZ2 H 1 7.467 0.02 . 1 . . . . . . . . 5764 1 113 . 1 1 10 10 TRP CZ3 C 13 122.125 0.08 . 1 . . . . . . . . 5764 1 114 . 1 1 10 10 TRP HZ3 H 1 7.119 0.02 . 1 . . . . . . . . 5764 1 115 . 1 1 10 10 TRP CH2 C 13 124.740 0.08 . 1 . . . . . . . . 5764 1 116 . 1 1 10 10 TRP HH2 H 1 7.197 0.02 . 1 . . . . . . . . 5764 1 117 . 1 1 10 10 TRP HB2 H 1 3.260 0.02 . 1 . . . . . . . . 5764 1 118 . 1 1 11 11 GLN H H 1 8.002 0.02 . 1 . . . . . . . . 5764 1 119 . 1 1 11 11 GLN N N 15 121.462 0.07 . 1 . . . . . . . . 5764 1 120 . 1 1 11 11 GLN CA C 13 56.045 0.08 . 1 . . . . . . . . 5764 1 121 . 1 1 11 11 GLN HA H 1 4.167 0.02 . 1 . . . . . . . . 5764 1 122 . 1 1 11 11 GLN C C 13 177.303 0.08 . 1 . . . . . . . . 5764 1 123 . 1 1 11 11 GLN CB C 13 29.296 0.08 . 1 . . . . . . . . 5764 1 124 . 1 1 11 11 GLN HB3 H 1 1.930 0.02 . 2 . . . . . . . . 5764 1 125 . 1 1 11 11 GLN CG C 13 33.600 0.08 . 1 . . . . . . . . 5764 1 126 . 1 1 11 11 GLN HG3 H 1 2.060 0.02 . 2 . . . . . . . . 5764 1 127 . 1 1 11 11 GLN NE2 N 15 112.407 0.07 . 1 . . . . . . . . 5764 1 128 . 1 1 11 11 GLN HE22 H 1 6.806 0.02 . 2 . . . . . . . . 5764 1 129 . 1 1 11 11 GLN HE21 H 1 7.488 0.02 . 2 . . . . . . . . 5764 1 130 . 1 1 11 11 GLN HB2 H 1 1.800 0.02 . 2 . . . . . . . . 5764 1 131 . 1 1 11 11 GLN HG2 H 1 2.110 0.02 . 2 . . . . . . . . 5764 1 132 . 1 1 12 12 HIS H H 1 8.145 0.02 . 1 . . . . . . . . 5764 1 133 . 1 1 12 12 HIS N N 15 119.802 0.07 . 1 . . . . . . . . 5764 1 134 . 1 1 12 12 HIS CA C 13 56.336 0.08 . 1 . . . . . . . . 5764 1 135 . 1 1 12 12 HIS HA H 1 4.576 0.02 . 1 . . . . . . . . 5764 1 136 . 1 1 12 12 HIS C C 13 174.807 0.08 . 1 . . . . . . . . 5764 1 137 . 1 1 12 12 HIS CB C 13 30.178 0.08 . 1 . . . . . . . . 5764 1 138 . 1 1 12 12 HIS HB3 H 1 3.050 0.02 . 1 . . . . . . . . 5764 1 139 . 1 1 12 12 HIS CD2 C 13 120.200 0.08 . 1 . . . . . . . . 5764 1 140 . 1 1 12 12 HIS HD2 H 1 7.080 0.02 . 1 . . . . . . . . 5764 1 141 . 1 1 12 12 HIS CE1 C 13 137.640 0.08 . 1 . . . . . . . . 5764 1 142 . 1 1 12 12 HIS HE1 H 1 8.090 0.02 . 1 . . . . . . . . 5764 1 143 . 1 1 12 12 HIS HB2 H 1 3.150 0.02 . 1 . . . . . . . . 5764 1 144 . 1 1 13 13 ASP H H 1 8.371 0.02 . 1 . . . . . . . . 5764 1 145 . 1 1 13 13 ASP N N 15 120.838 0.07 . 1 . . . . . . . . 5764 1 146 . 1 1 13 13 ASP CA C 13 54.540 0.08 . 1 . . . . . . . . 5764 1 147 . 1 1 13 13 ASP HA H 1 4.532 0.02 . 1 . . . . . . . . 5764 1 148 . 1 1 13 13 ASP C C 13 176.224 0.08 . 1 . . . . . . . . 5764 1 149 . 1 1 13 13 ASP CB C 13 41.404 0.08 . 1 . . . . . . . . 5764 1 150 . 1 1 13 13 ASP HB3 H 1 2.610 0.02 . 1 . . . . . . . . 5764 1 151 . 1 1 13 13 ASP HB2 H 1 2.610 0.02 . 1 . . . . . . . . 5764 1 152 . 1 1 14 14 LEU H H 1 8.099 0.02 . 1 . . . . . . . . 5764 1 153 . 1 1 14 14 LEU N N 15 121.798 0.07 . 1 . . . . . . . . 5764 1 154 . 1 1 14 14 LEU CA C 13 55.566 0.08 . 1 . . . . . . . . 5764 1 155 . 1 1 14 14 LEU HA H 1 4.230 0.02 . 1 . . . . . . . . 5764 1 156 . 1 1 14 14 LEU C C 13 175.581 0.08 . 1 . . . . . . . . 5764 1 157 . 1 1 14 14 LEU CB C 13 42.586 0.08 . 1 . . . . . . . . 5764 1 158 . 1 1 14 14 LEU HB3 H 1 1.390 0.02 . 1 . . . . . . . . 5764 1 159 . 1 1 14 14 LEU CG C 13 26.890 0.08 . 1 . . . . . . . . 5764 1 160 . 1 1 14 14 LEU CD1 C 13 24.960 0.08 . 2 . . . . . . . . 5764 1 161 . 1 1 14 14 LEU CD2 C 13 23.060 0.08 . 2 . . . . . . . . 5764 1 162 . 1 1 14 14 LEU HG H 1 1.480 0.02 . 1 . . . . . . . . 5764 1 163 . 1 1 14 14 LEU HB2 H 1 1.470 0.02 . 1 . . . . . . . . 5764 1 164 . 1 1 14 14 LEU HD11 H 1 0.850 0.02 . 2 . . . . . . . . 5764 1 165 . 1 1 14 14 LEU HD12 H 1 0.850 0.02 . 2 . . . . . . . . 5764 1 166 . 1 1 14 14 LEU HD13 H 1 0.850 0.02 . 2 . . . . . . . . 5764 1 167 . 1 1 14 14 LEU HD21 H 1 0.770 0.02 . 2 . . . . . . . . 5764 1 168 . 1 1 14 14 LEU HD22 H 1 0.770 0.02 . 2 . . . . . . . . 5764 1 169 . 1 1 14 14 LEU HD23 H 1 0.770 0.02 . 2 . . . . . . . . 5764 1 170 . 1 1 15 15 PHE H H 1 8.154 0.02 . 1 . . . . . . . . 5764 1 171 . 1 1 15 15 PHE N N 15 119.887 0.07 . 1 . . . . . . . . 5764 1 172 . 1 1 15 15 PHE CA C 13 57.845 0.08 . 1 . . . . . . . . 5764 1 173 . 1 1 15 15 PHE HA H 1 4.570 0.02 . 1 . . . . . . . . 5764 1 174 . 1 1 15 15 PHE C C 13 175.614 0.08 . 1 . . . . . . . . 5764 1 175 . 1 1 15 15 PHE CB C 13 39.716 0.08 . 1 . . . . . . . . 5764 1 176 . 1 1 15 15 PHE HB3 H 1 3.130 0.02 . 1 . . . . . . . . 5764 1 177 . 1 1 15 15 PHE HB2 H 1 2.970 0.02 . 1 . . . . . . . . 5764 1 178 . 1 1 16 16 ASP H H 1 8.198 0.02 . 1 . . . . . . . . 5764 1 179 . 1 1 16 16 ASP N N 15 122.004 0.07 . 1 . . . . . . . . 5764 1 180 . 1 1 16 16 ASP CA C 13 54.267 0.08 . 1 . . . . . . . . 5764 1 181 . 1 1 16 16 ASP HA H 1 4.601 0.02 . 1 . . . . . . . . 5764 1 182 . 1 1 16 16 ASP C C 13 176.355 0.08 . 1 . . . . . . . . 5764 1 183 . 1 1 16 16 ASP CB C 13 41.729 0.08 . 1 . . . . . . . . 5764 1 184 . 1 1 16 16 ASP HB3 H 1 2.680 0.02 . 1 . . . . . . . . 5764 1 185 . 1 1 16 16 ASP HB2 H 1 2.680 0.02 . 1 . . . . . . . . 5764 1 186 . 1 1 17 17 SER H H 1 8.321 0.02 . 1 . . . . . . . . 5764 1 187 . 1 1 17 17 SER N N 15 117.127 0.07 . 1 . . . . . . . . 5764 1 188 . 1 1 17 17 SER CA C 13 59.128 0.08 . 1 . . . . . . . . 5764 1 189 . 1 1 17 17 SER HA H 1 4.331 0.02 . 1 . . . . . . . . 5764 1 190 . 1 1 17 17 SER C C 13 175.221 0.08 . 1 . . . . . . . . 5764 1 191 . 1 1 17 17 SER CB C 13 64.162 0.08 . 1 . . . . . . . . 5764 1 192 . 1 1 17 17 SER HB3 H 1 3.930 0.02 . 2 . . . . . . . . 5764 1 193 . 1 1 17 17 SER HB2 H 1 3.870 0.02 . 2 . . . . . . . . 5764 1 194 . 1 1 18 18 GLY H H 1 8.442 0.02 . 1 . . . . . . . . 5764 1 195 . 1 1 18 18 GLY N N 15 110.274 0.07 . 1 . . . . . . . . 5764 1 196 . 1 1 18 18 GLY CA C 13 45.401 0.08 . 1 . . . . . . . . 5764 1 197 . 1 1 18 18 GLY HA3 H 1 3.915 0.02 . 1 . . . . . . . . 5764 1 198 . 1 1 18 18 GLY C C 13 174.260 0.08 . 1 . . . . . . . . 5764 1 199 . 1 1 18 18 GLY HA2 H 1 3.915 0.02 . 1 . . . . . . . . 5764 1 200 . 1 1 19 19 PHE H H 1 8.114 0.02 . 1 . . . . . . . . 5764 1 201 . 1 1 19 19 PHE N N 15 120.138 0.07 . 1 . . . . . . . . 5764 1 202 . 1 1 19 19 PHE CA C 13 58.118 0.08 . 1 . . . . . . . . 5764 1 203 . 1 1 19 19 PHE HA H 1 4.595 0.02 . 1 . . . . . . . . 5764 1 204 . 1 1 19 19 PHE C C 13 176.649 0.08 . 1 . . . . . . . . 5764 1 205 . 1 1 19 19 PHE CB C 13 39.716 0.08 . 1 . . . . . . . . 5764 1 206 . 1 1 19 19 PHE HB3 H 1 3.170 0.02 . 1 . . . . . . . . 5764 1 207 . 1 1 19 19 PHE HD1 H 1 7.260 0.02 . 1 . . . . . . . . 5764 1 208 . 1 1 19 19 PHE HD2 H 1 7.260 0.02 . 1 . . . . . . . . 5764 1 209 . 1 1 19 19 PHE HB2 H 1 3.030 0.02 . 1 . . . . . . . . 5764 1 210 . 1 1 20 20 GLY H H 1 8.467 0.02 . 1 . . . . . . . . 5764 1 211 . 1 1 20 20 GLY N N 15 111.113 0.07 . 1 . . . . . . . . 5764 1 212 . 1 1 20 20 GLY CA C 13 45.538 0.08 . 1 . . . . . . . . 5764 1 213 . 1 1 20 20 GLY HA3 H 1 3.903 0.02 . 1 . . . . . . . . 5764 1 214 . 1 1 20 20 GLY C C 13 174.840 0.08 . 1 . . . . . . . . 5764 1 215 . 1 1 20 20 GLY HA2 H 1 3.903 0.02 . 1 . . . . . . . . 5764 1 216 . 1 1 21 21 GLY H H 1 8.042 0.02 . 1 . . . . . . . . 5764 1 217 . 1 1 21 21 GLY N N 15 108.551 0.07 . 1 . . . . . . . . 5764 1 218 . 1 1 21 21 GLY CA C 13 45.447 0.08 . 1 . . . . . . . . 5764 1 219 . 1 1 21 21 GLY HA3 H 1 3.947 0.02 . 1 . . . . . . . . 5764 1 220 . 1 1 21 21 GLY C C 13 174.764 0.08 . 1 . . . . . . . . 5764 1 221 . 1 1 21 21 GLY HA2 H 1 3.947 0.02 . 1 . . . . . . . . 5764 1 222 . 1 1 22 22 GLY H H 1 8.308 0.02 . 1 . . . . . . . . 5764 1 223 . 1 1 22 22 GLY N N 15 108.990 0.07 . 1 . . . . . . . . 5764 1 224 . 1 1 22 22 GLY CA C 13 45.242 0.08 . 1 . . . . . . . . 5764 1 225 . 1 1 22 22 GLY HA3 H 1 3.972 0.02 . 1 . . . . . . . . 5764 1 226 . 1 1 22 22 GLY C C 13 174.055 0.08 . 1 . . . . . . . . 5764 1 227 . 1 1 22 22 GLY HA2 H 1 3.972 0.02 . 1 . . . . . . . . 5764 1 228 . 1 1 23 23 ALA H H 1 8.286 0.02 . 1 . . . . . . . . 5764 1 229 . 1 1 23 23 ALA N N 15 123.685 0.07 . 1 . . . . . . . . 5764 1 230 . 1 1 23 23 ALA CA C 13 52.681 0.08 . 1 . . . . . . . . 5764 1 231 . 1 1 23 23 ALA HA H 1 4.343 0.02 . 1 . . . . . . . . 5764 1 232 . 1 1 23 23 ALA C C 13 178.350 0.08 . 1 . . . . . . . . 5764 1 233 . 1 1 23 23 ALA CB C 13 19.794 0.08 . 1 . . . . . . . . 5764 1 234 . 1 1 23 23 ALA HB1 H 1 1.420 0.02 . 1 . . . . . . . . 5764 1 235 . 1 1 23 23 ALA HB2 H 1 1.420 0.02 . 1 . . . . . . . . 5764 1 236 . 1 1 23 23 ALA HB3 H 1 1.420 0.02 . 1 . . . . . . . . 5764 1 237 . 1 1 24 24 GLY H H 1 8.430 0.02 . 1 . . . . . . . . 5764 1 238 . 1 1 24 24 GLY N N 15 108.300 0.07 . 1 . . . . . . . . 5764 1 239 . 1 1 24 24 GLY CA C 13 45.300 0.08 . 1 . . . . . . . . 5764 1 240 . 1 1 24 24 GLY HA3 H 1 3.947 0.02 . 1 . . . . . . . . 5764 1 241 . 1 1 24 24 GLY C C 13 174.044 0.08 . 1 . . . . . . . . 5764 1 242 . 1 1 24 24 GLY HA2 H 1 3.947 0.02 . 1 . . . . . . . . 5764 1 243 . 1 1 25 25 VAL H H 1 7.917 0.02 . 1 . . . . . . . . 5764 1 244 . 1 1 25 25 VAL N N 15 119.000 0.07 . 1 . . . . . . . . 5764 1 245 . 1 1 25 25 VAL CA C 13 62.061 0.08 . 1 . . . . . . . . 5764 1 246 . 1 1 25 25 VAL HA H 1 4.155 0.02 . 1 . . . . . . . . 5764 1 247 . 1 1 25 25 VAL C C 13 176.017 0.08 . 1 . . . . . . . . 5764 1 248 . 1 1 25 25 VAL CB C 13 33.301 0.08 . 1 . . . . . . . . 5764 1 249 . 1 1 25 25 VAL HB H 1 2.090 0.02 . 1 . . . . . . . . 5764 1 250 . 1 1 25 25 VAL CG1 C 13 20.430 0.08 . 2 . . . . . . . . 5764 1 251 . 1 1 25 25 VAL CG2 C 13 21.150 0.08 . 2 . . . . . . . . 5764 1 252 . 1 1 25 25 VAL HG21 H 1 0.920 0.02 . 2 . . . . . . . . 5764 1 253 . 1 1 25 25 VAL HG22 H 1 0.920 0.02 . 2 . . . . . . . . 5764 1 254 . 1 1 25 25 VAL HG23 H 1 0.920 0.02 . 2 . . . . . . . . 5764 1 255 . 1 1 25 25 VAL HG11 H 1 0.910 0.02 . 2 . . . . . . . . 5764 1 256 . 1 1 25 25 VAL HG12 H 1 0.910 0.02 . 2 . . . . . . . . 5764 1 257 . 1 1 25 25 VAL HG13 H 1 0.910 0.02 . 2 . . . . . . . . 5764 1 258 . 1 1 26 26 GLU H H 1 8.596 0.02 . 1 . . . . . . . . 5764 1 259 . 1 1 26 26 GLU N N 15 125.649 0.07 . 1 . . . . . . . . 5764 1 260 . 1 1 26 26 GLU CA C 13 56.084 0.08 . 1 . . . . . . . . 5764 1 261 . 1 1 26 26 GLU HA H 1 4.469 0.02 . 1 . . . . . . . . 5764 1 262 . 1 1 26 26 GLU C C 13 176.704 0.08 . 1 . . . . . . . . 5764 1 263 . 1 1 26 26 GLU CB C 13 30.979 0.08 . 1 . . . . . . . . 5764 1 264 . 1 1 26 26 GLU HB3 H 1 2.120 0.02 . 2 . . . . . . . . 5764 1 265 . 1 1 26 26 GLU CG C 13 36.760 0.08 . 1 . . . . . . . . 5764 1 266 . 1 1 26 26 GLU HG3 H 1 2.410 0.02 . 2 . . . . . . . . 5764 1 267 . 1 1 26 26 GLU HB2 H 1 2.100 0.02 . 2 . . . . . . . . 5764 1 268 . 1 1 26 26 GLU HG2 H 1 2.270 0.02 . 2 . . . . . . . . 5764 1 269 . 1 1 27 27 THR H H 1 8.368 0.02 . 1 . . . . . . . . 5764 1 270 . 1 1 27 27 THR N N 15 116.670 0.07 . 1 . . . . . . . . 5764 1 271 . 1 1 27 27 THR CA C 13 61.990 0.08 . 1 . . . . . . . . 5764 1 272 . 1 1 27 27 THR HA H 1 4.501 0.02 . 1 . . . . . . . . 5764 1 273 . 1 1 27 27 THR C C 13 176.058 0.08 . 1 . . . . . . . . 5764 1 274 . 1 1 27 27 THR CB C 13 70.318 0.08 . 1 . . . . . . . . 5764 1 275 . 1 1 27 27 THR HB H 1 4.450 0.02 . 1 . . . . . . . . 5764 1 276 . 1 1 27 27 THR CG2 C 13 21.770 0.08 . 1 . . . . . . . . 5764 1 277 . 1 1 27 27 THR HG21 H 1 1.260 0.02 . 1 . . . . . . . . 5764 1 278 . 1 1 27 27 THR HG22 H 1 1.260 0.02 . 1 . . . . . . . . 5764 1 279 . 1 1 27 27 THR HG23 H 1 1.260 0.02 . 1 . . . . . . . . 5764 1 280 . 1 1 28 28 GLY H H 1 9.174 0.02 . 1 . . . . . . . . 5764 1 281 . 1 1 28 28 GLY N N 15 112.674 0.07 . 1 . . . . . . . . 5764 1 282 . 1 1 28 28 GLY CA C 13 45.118 0.08 . 1 . . . . . . . . 5764 1 283 . 1 1 28 28 GLY HA3 H 1 4.205 0.02 . 2 . . . . . . . . 5764 1 284 . 1 1 28 28 GLY C C 13 173.150 0.08 . 1 . . . . . . . . 5764 1 285 . 1 1 28 28 GLY HA2 H 1 3.903 0.02 . 2 . . . . . . . . 5764 1 286 . 1 1 29 29 GLY H H 1 7.837 0.02 . 1 . . . . . . . . 5764 1 287 . 1 1 29 29 GLY N N 15 103.005 0.07 . 1 . . . . . . . . 5764 1 288 . 1 1 29 29 GLY CA C 13 45.578 0.08 . 1 . . . . . . . . 5764 1 289 . 1 1 29 29 GLY HA3 H 1 4.607 0.02 . 1 . . . . . . . . 5764 1 290 . 1 1 29 29 GLY C C 13 171.065 0.08 . 1 . . . . . . . . 5764 1 291 . 1 1 29 29 GLY HA2 H 1 3.261 0.02 . 1 . . . . . . . . 5764 1 292 . 1 1 30 30 LYS H H 1 9.044 0.02 . 1 . . . . . . . . 5764 1 293 . 1 1 30 30 LYS N N 15 126.369 0.07 . 1 . . . . . . . . 5764 1 294 . 1 1 30 30 LYS CA C 13 56.364 0.08 . 1 . . . . . . . . 5764 1 295 . 1 1 30 30 LYS HA H 1 4.714 0.02 . 1 . . . . . . . . 5764 1 296 . 1 1 30 30 LYS C C 13 173.445 0.08 . 1 . . . . . . . . 5764 1 297 . 1 1 30 30 LYS CB C 13 34.341 0.08 . 1 . . . . . . . . 5764 1 298 . 1 1 30 30 LYS HB3 H 1 1.630 0.02 . 1 . . . . . . . . 5764 1 299 . 1 1 30 30 LYS HG3 H 1 1.290 0.02 . 1 . . . . . . . . 5764 1 300 . 1 1 30 30 LYS CD C 13 26.700 0.08 . 1 . . . . . . . . 5764 1 301 . 1 1 30 30 LYS HD3 H 1 1.680 0.02 . 1 . . . . . . . . 5764 1 302 . 1 1 30 30 LYS CE C 13 43.650 0.08 . 1 . . . . . . . . 5764 1 303 . 1 1 30 30 LYS HE3 H 1 3.360 0.02 . 2 . . . . . . . . 5764 1 304 . 1 1 30 30 LYS HB2 H 1 1.630 0.02 . 1 . . . . . . . . 5764 1 305 . 1 1 30 30 LYS HG2 H 1 1.290 0.02 . 1 . . . . . . . . 5764 1 306 . 1 1 30 30 LYS HD2 H 1 1.680 0.02 . 1 . . . . . . . . 5764 1 307 . 1 1 30 30 LYS HE2 H 1 3.260 0.02 . 2 . . . . . . . . 5764 1 308 . 1 1 31 31 LEU H H 1 9.171 0.02 . 1 . . . . . . . . 5764 1 309 . 1 1 31 31 LEU N N 15 120.928 0.07 . 1 . . . . . . . . 5764 1 310 . 1 1 31 31 LEU CA C 13 52.444 0.08 . 1 . . . . . . . . 5764 1 311 . 1 1 31 31 LEU HA H 1 5.425 0.02 . 1 . . . . . . . . 5764 1 312 . 1 1 31 31 LEU C C 13 173.900 0.08 . 1 . . . . . . . . 5764 1 313 . 1 1 31 31 LEU CB C 13 44.450 0.08 . 1 . . . . . . . . 5764 1 314 . 1 1 31 31 LEU HB3 H 1 1.970 0.02 . 2 . . . . . . . . 5764 1 315 . 1 1 31 31 LEU CG C 13 27.000 0.08 . 1 . . . . . . . . 5764 1 316 . 1 1 31 31 LEU CD1 C 13 23.140 0.08 . 2 . . . . . . . . 5764 1 317 . 1 1 31 31 LEU CD2 C 13 20.880 0.08 . 2 . . . . . . . . 5764 1 318 . 1 1 31 31 LEU HG H 1 1.600 0.02 . 1 . . . . . . . . 5764 1 319 . 1 1 31 31 LEU HB2 H 1 1.120 0.02 . 2 . . . . . . . . 5764 1 320 . 1 1 31 31 LEU HD11 H 1 0.790 0.02 . 2 . . . . . . . . 5764 1 321 . 1 1 31 31 LEU HD12 H 1 0.790 0.02 . 2 . . . . . . . . 5764 1 322 . 1 1 31 31 LEU HD13 H 1 0.790 0.02 . 2 . . . . . . . . 5764 1 323 . 1 1 31 31 LEU HD21 H 1 0.810 0.02 . 2 . . . . . . . . 5764 1 324 . 1 1 31 31 LEU HD22 H 1 0.810 0.02 . 2 . . . . . . . . 5764 1 325 . 1 1 31 31 LEU HD23 H 1 0.810 0.02 . 2 . . . . . . . . 5764 1 326 . 1 1 32 32 LEU H H 1 9.158 0.02 . 1 . . . . . . . . 5764 1 327 . 1 1 32 32 LEU N N 15 125.673 0.07 . 1 . . . . . . . . 5764 1 328 . 1 1 32 32 LEU CA C 13 54.131 0.08 . 1 . . . . . . . . 5764 1 329 . 1 1 32 32 LEU HA H 1 5.155 0.02 . 1 . . . . . . . . 5764 1 330 . 1 1 32 32 LEU C C 13 175.995 0.08 . 1 . . . . . . . . 5764 1 331 . 1 1 32 32 LEU CB C 13 44.383 0.08 . 1 . . . . . . . . 5764 1 332 . 1 1 32 32 LEU HB3 H 1 1.720 0.02 . 2 . . . . . . . . 5764 1 333 . 1 1 32 32 LEU CG C 13 27.800 0.08 . 1 . . . . . . . . 5764 1 334 . 1 1 32 32 LEU CD1 C 13 23.340 0.08 . 1 . . . . . . . . 5764 1 335 . 1 1 32 32 LEU CD2 C 13 23.150 0.08 . 1 . . . . . . . . 5764 1 336 . 1 1 32 32 LEU HG H 1 1.450 0.02 . 1 . . . . . . . . 5764 1 337 . 1 1 32 32 LEU HB2 H 1 1.340 0.02 . 2 . . . . . . . . 5764 1 338 . 1 1 32 32 LEU HD11 H 1 0.990 0.02 . 1 . . . . . . . . 5764 1 339 . 1 1 32 32 LEU HD12 H 1 0.990 0.02 . 1 . . . . . . . . 5764 1 340 . 1 1 32 32 LEU HD13 H 1 0.990 0.02 . 1 . . . . . . . . 5764 1 341 . 1 1 32 32 LEU HD21 H 1 0.890 0.02 . 1 . . . . . . . . 5764 1 342 . 1 1 32 32 LEU HD22 H 1 0.890 0.02 . 1 . . . . . . . . 5764 1 343 . 1 1 32 32 LEU HD23 H 1 0.890 0.02 . 1 . . . . . . . . 5764 1 344 . 1 1 33 33 VAL H H 1 9.296 0.02 . 1 . . . . . . . . 5764 1 345 . 1 1 33 33 VAL N N 15 130.621 0.07 . 1 . . . . . . . . 5764 1 346 . 1 1 33 33 VAL CA C 13 61.002 0.08 . 1 . . . . . . . . 5764 1 347 . 1 1 33 33 VAL HA H 1 4.865 0.02 . 1 . . . . . . . . 5764 1 348 . 1 1 33 33 VAL C C 13 174.120 0.08 . 1 . . . . . . . . 5764 1 349 . 1 1 33 33 VAL CB C 13 33.381 0.08 . 1 . . . . . . . . 5764 1 350 . 1 1 33 33 VAL HB H 1 1.860 0.02 . 1 . . . . . . . . 5764 1 351 . 1 1 33 33 VAL CG1 C 13 22.100 0.08 . 1 . . . . . . . . 5764 1 352 . 1 1 33 33 VAL CG2 C 13 21.480 0.08 . 1 . . . . . . . . 5764 1 353 . 1 1 33 33 VAL HG21 H 1 0.710 0.02 . 1 . . . . . . . . 5764 1 354 . 1 1 33 33 VAL HG22 H 1 0.710 0.02 . 1 . . . . . . . . 5764 1 355 . 1 1 33 33 VAL HG23 H 1 0.710 0.02 . 1 . . . . . . . . 5764 1 356 . 1 1 33 33 VAL HG11 H 1 0.980 0.02 . 1 . . . . . . . . 5764 1 357 . 1 1 33 33 VAL HG12 H 1 0.980 0.02 . 1 . . . . . . . . 5764 1 358 . 1 1 33 33 VAL HG13 H 1 0.980 0.02 . 1 . . . . . . . . 5764 1 359 . 1 1 34 34 SER H H 1 9.771 0.02 . 1 . . . . . . . . 5764 1 360 . 1 1 34 34 SER N N 15 120.832 0.07 . 1 . . . . . . . . 5764 1 361 . 1 1 34 34 SER CA C 13 56.973 0.08 . 1 . . . . . . . . 5764 1 362 . 1 1 34 34 SER HA H 1 5.425 0.02 . 1 . . . . . . . . 5764 1 363 . 1 1 34 34 SER C C 13 173.227 0.08 . 1 . . . . . . . . 5764 1 364 . 1 1 34 34 SER CB C 13 65.986 0.08 . 1 . . . . . . . . 5764 1 365 . 1 1 34 34 SER HB3 H 1 4.030 0.02 . 2 . . . . . . . . 5764 1 366 . 1 1 34 34 SER HB2 H 1 3.820 0.02 . 2 . . . . . . . . 5764 1 367 . 1 1 35 35 ASN H H 1 8.758 0.02 . 1 . . . . . . . . 5764 1 368 . 1 1 35 35 ASN N N 15 116.174 0.07 . 1 . . . . . . . . 5764 1 369 . 1 1 35 35 ASN CA C 13 54.114 0.08 . 1 . . . . . . . . 5764 1 370 . 1 1 35 35 ASN HA H 1 4.500 0.02 . 1 . . . . . . . . 5764 1 371 . 1 1 35 35 ASN C C 13 176.802 0.08 . 1 . . . . . . . . 5764 1 372 . 1 1 35 35 ASN CB C 13 39.663 0.08 . 1 . . . . . . . . 5764 1 373 . 1 1 35 35 ASN HB3 H 1 3.860 0.02 . 1 . . . . . . . . 5764 1 374 . 1 1 35 35 ASN ND2 N 15 112.946 0.07 . 1 . . . . . . . . 5764 1 375 . 1 1 35 35 ASN HD21 H 1 8.420 0.02 . 1 . . . . . . . . 5764 1 376 . 1 1 35 35 ASN HD22 H 1 7.324 0.02 . 1 . . . . . . . . 5764 1 377 . 1 1 35 35 ASN HB2 H 1 2.410 0.02 . 1 . . . . . . . . 5764 1 378 . 1 1 36 36 LEU H H 1 8.321 0.02 . 1 . . . . . . . . 5764 1 379 . 1 1 36 36 LEU N N 15 117.549 0.07 . 1 . . . . . . . . 5764 1 380 . 1 1 36 36 LEU CA C 13 53.948 0.08 . 1 . . . . . . . . 5764 1 381 . 1 1 36 36 LEU HA H 1 4.148 0.02 . 1 . . . . . . . . 5764 1 382 . 1 1 36 36 LEU C C 13 177.783 0.08 . 1 . . . . . . . . 5764 1 383 . 1 1 36 36 LEU CB C 13 43.207 0.08 . 1 . . . . . . . . 5764 1 384 . 1 1 36 36 LEU HB3 H 1 1.200 0.02 . 2 . . . . . . . . 5764 1 385 . 1 1 36 36 LEU CG C 13 26.610 0.08 . 1 . . . . . . . . 5764 1 386 . 1 1 36 36 LEU CD1 C 13 26.140 0.08 . 1 . . . . . . . . 5764 1 387 . 1 1 36 36 LEU CD2 C 13 22.740 0.08 . 1 . . . . . . . . 5764 1 388 . 1 1 36 36 LEU HG H 1 1.240 0.02 . 1 . . . . . . . . 5764 1 389 . 1 1 36 36 LEU HB2 H 1 1.160 0.02 . 2 . . . . . . . . 5764 1 390 . 1 1 36 36 LEU HD11 H 1 0.390 0.02 . 1 . . . . . . . . 5764 1 391 . 1 1 36 36 LEU HD12 H 1 0.390 0.02 . 1 . . . . . . . . 5764 1 392 . 1 1 36 36 LEU HD13 H 1 0.390 0.02 . 1 . . . . . . . . 5764 1 393 . 1 1 36 36 LEU HD21 H 1 0.730 0.02 . 1 . . . . . . . . 5764 1 394 . 1 1 36 36 LEU HD22 H 1 0.730 0.02 . 1 . . . . . . . . 5764 1 395 . 1 1 36 36 LEU HD23 H 1 0.730 0.02 . 1 . . . . . . . . 5764 1 396 . 1 1 37 37 ASP H H 1 9.472 0.02 . 1 . . . . . . . . 5764 1 397 . 1 1 37 37 ASP N N 15 121.988 0.07 . 1 . . . . . . . . 5764 1 398 . 1 1 37 37 ASP CA C 13 54.643 0.08 . 1 . . . . . . . . 5764 1 399 . 1 1 37 37 ASP HA H 1 4.171 0.02 . 1 . . . . . . . . 5764 1 400 . 1 1 37 37 ASP C C 13 177.990 0.08 . 1 . . . . . . . . 5764 1 401 . 1 1 37 37 ASP CB C 13 43.522 0.08 . 1 . . . . . . . . 5764 1 402 . 1 1 37 37 ASP HB3 H 1 2.610 0.02 . 2 . . . . . . . . 5764 1 403 . 1 1 37 37 ASP HB2 H 1 2.580 0.02 . 2 . . . . . . . . 5764 1 404 . 1 1 38 38 PHE H H 1 8.192 0.02 . 1 . . . . . . . . 5764 1 405 . 1 1 38 38 PHE N N 15 123.670 0.07 . 1 . . . . . . . . 5764 1 406 . 1 1 38 38 PHE CA C 13 59.372 0.08 . 1 . . . . . . . . 5764 1 407 . 1 1 38 38 PHE HA H 1 4.381 0.02 . 1 . . . . . . . . 5764 1 408 . 1 1 38 38 PHE C C 13 175.701 0.08 . 1 . . . . . . . . 5764 1 409 . 1 1 38 38 PHE CB C 13 38.323 0.08 . 1 . . . . . . . . 5764 1 410 . 1 1 38 38 PHE HB3 H 1 3.410 0.02 . 1 . . . . . . . . 5764 1 411 . 1 1 38 38 PHE CD1 C 13 131.850 0.08 . 1 . . . . . . . . 5764 1 412 . 1 1 38 38 PHE HD1 H 1 7.270 0.02 . 1 . . . . . . . . 5764 1 413 . 1 1 38 38 PHE CD2 C 13 131.850 0.08 . 1 . . . . . . . . 5764 1 414 . 1 1 38 38 PHE HD2 H 1 7.270 0.02 . 1 . . . . . . . . 5764 1 415 . 1 1 38 38 PHE CE1 C 13 131.910 0.08 . 1 . . . . . . . . 5764 1 416 . 1 1 38 38 PHE HE1 H 1 7.530 0.02 . 1 . . . . . . . . 5764 1 417 . 1 1 38 38 PHE CE2 C 13 131.910 0.08 . 1 . . . . . . . . 5764 1 418 . 1 1 38 38 PHE HE2 H 1 7.530 0.02 . 1 . . . . . . . . 5764 1 419 . 1 1 38 38 PHE HZ H 1 7.310 0.02 . 1 . . . . . . . . 5764 1 420 . 1 1 38 38 PHE HB2 H 1 3.050 0.02 . 1 . . . . . . . . 5764 1 421 . 1 1 39 39 GLY H H 1 8.887 0.02 . 1 . . . . . . . . 5764 1 422 . 1 1 39 39 GLY N N 15 107.459 0.07 . 1 . . . . . . . . 5764 1 423 . 1 1 39 39 GLY CA C 13 45.014 0.08 . 1 . . . . . . . . 5764 1 424 . 1 1 39 39 GLY HA3 H 1 4.243 0.02 . 1 . . . . . . . . 5764 1 425 . 1 1 39 39 GLY C C 13 174.764 0.08 . 1 . . . . . . . . 5764 1 426 . 1 1 39 39 GLY HA2 H 1 3.686 0.02 . 1 . . . . . . . . 5764 1 427 . 1 1 40 40 VAL H H 1 7.221 0.02 . 1 . . . . . . . . 5764 1 428 . 1 1 40 40 VAL N N 15 122.496 0.07 . 1 . . . . . . . . 5764 1 429 . 1 1 40 40 VAL CA C 13 64.173 0.08 . 1 . . . . . . . . 5764 1 430 . 1 1 40 40 VAL HA H 1 4.004 0.02 . 1 . . . . . . . . 5764 1 431 . 1 1 40 40 VAL C C 13 176.159 0.08 . 1 . . . . . . . . 5764 1 432 . 1 1 40 40 VAL CB C 13 31.500 0.08 . 1 . . . . . . . . 5764 1 433 . 1 1 40 40 VAL HB H 1 2.010 0.02 . 1 . . . . . . . . 5764 1 434 . 1 1 40 40 VAL CG1 C 13 21.930 0.08 . 1 . . . . . . . . 5764 1 435 . 1 1 40 40 VAL CG2 C 13 22.700 0.08 . 1 . . . . . . . . 5764 1 436 . 1 1 40 40 VAL HG21 H 1 1.070 0.02 . 1 . . . . . . . . 5764 1 437 . 1 1 40 40 VAL HG22 H 1 1.070 0.02 . 1 . . . . . . . . 5764 1 438 . 1 1 40 40 VAL HG23 H 1 1.070 0.02 . 1 . . . . . . . . 5764 1 439 . 1 1 40 40 VAL HG11 H 1 0.970 0.02 . 1 . . . . . . . . 5764 1 440 . 1 1 40 40 VAL HG12 H 1 0.970 0.02 . 1 . . . . . . . . 5764 1 441 . 1 1 40 40 VAL HG13 H 1 0.970 0.02 . 1 . . . . . . . . 5764 1 442 . 1 1 41 41 SER H H 1 9.481 0.02 . 1 . . . . . . . . 5764 1 443 . 1 1 41 41 SER N N 15 126.509 0.07 . 1 . . . . . . . . 5764 1 444 . 1 1 41 41 SER CA C 13 56.875 0.08 . 1 . . . . . . . . 5764 1 445 . 1 1 41 41 SER HA H 1 4.972 0.02 . 1 . . . . . . . . 5764 1 446 . 1 1 41 41 SER C C 13 175.112 0.08 . 1 . . . . . . . . 5764 1 447 . 1 1 41 41 SER CB C 13 67.945 0.08 . 1 . . . . . . . . 5764 1 448 . 1 1 41 41 SER HB3 H 1 4.400 0.02 . 1 . . . . . . . . 5764 1 449 . 1 1 41 41 SER HB2 H 1 4.040 0.02 . 1 . . . . . . . . 5764 1 450 . 1 1 42 42 ASP H H 1 8.722 0.02 . 1 . . . . . . . . 5764 1 451 . 1 1 42 42 ASP N N 15 120.315 0.07 . 1 . . . . . . . . 5764 1 452 . 1 1 42 42 ASP CA C 13 58.246 0.08 . 1 . . . . . . . . 5764 1 453 . 1 1 42 42 ASP HA H 1 4.084 0.02 . 1 . . . . . . . . 5764 1 454 . 1 1 42 42 ASP C C 13 178.023 0.08 . 1 . . . . . . . . 5764 1 455 . 1 1 42 42 ASP CB C 13 40.464 0.08 . 1 . . . . . . . . 5764 1 456 . 1 1 42 42 ASP HB3 H 1 2.860 0.02 . 1 . . . . . . . . 5764 1 457 . 1 1 42 42 ASP HB2 H 1 2.760 0.02 . 1 . . . . . . . . 5764 1 458 . 1 1 43 43 ALA H H 1 8.233 0.02 . 1 . . . . . . . . 5764 1 459 . 1 1 43 43 ALA N N 15 120.162 0.07 . 1 . . . . . . . . 5764 1 460 . 1 1 43 43 ALA CA C 13 55.034 0.08 . 1 . . . . . . . . 5764 1 461 . 1 1 43 43 ALA HA H 1 4.098 0.02 . 1 . . . . . . . . 5764 1 462 . 1 1 43 43 ALA C C 13 180.290 0.08 . 1 . . . . . . . . 5764 1 463 . 1 1 43 43 ALA CB C 13 18.781 0.08 . 1 . . . . . . . . 5764 1 464 . 1 1 43 43 ALA HB1 H 1 1.380 0.02 . 1 . . . . . . . . 5764 1 465 . 1 1 43 43 ALA HB2 H 1 1.380 0.02 . 1 . . . . . . . . 5764 1 466 . 1 1 43 43 ALA HB3 H 1 1.380 0.02 . 1 . . . . . . . . 5764 1 467 . 1 1 44 44 ASP H H 1 7.568 0.02 . 1 . . . . . . . . 5764 1 468 . 1 1 44 44 ASP N N 15 117.938 0.07 . 1 . . . . . . . . 5764 1 469 . 1 1 44 44 ASP CA C 13 57.376 0.08 . 1 . . . . . . . . 5764 1 470 . 1 1 44 44 ASP HA H 1 4.368 0.02 . 1 . . . . . . . . 5764 1 471 . 1 1 44 44 ASP C C 13 178.971 0.08 . 1 . . . . . . . . 5764 1 472 . 1 1 44 44 ASP CB C 13 41.827 0.08 . 1 . . . . . . . . 5764 1 473 . 1 1 44 44 ASP HB3 H 1 3.170 0.02 . 1 . . . . . . . . 5764 1 474 . 1 1 44 44 ASP HB2 H 1 2.620 0.02 . 1 . . . . . . . . 5764 1 475 . 1 1 45 45 ILE H H 1 7.606 0.02 . 1 . . . . . . . . 5764 1 476 . 1 1 45 45 ILE N N 15 117.656 0.07 . 1 . . . . . . . . 5764 1 477 . 1 1 45 45 ILE CA C 13 62.033 0.08 . 1 . . . . . . . . 5764 1 478 . 1 1 45 45 ILE HA H 1 3.972 0.02 . 1 . . . . . . . . 5764 1 479 . 1 1 45 45 ILE C C 13 177.718 0.08 . 1 . . . . . . . . 5764 1 480 . 1 1 45 45 ILE CB C 13 36.465 0.08 . 1 . . . . . . . . 5764 1 481 . 1 1 45 45 ILE HB H 1 2.050 0.02 . 1 . . . . . . . . 5764 1 482 . 1 1 45 45 ILE CG2 C 13 18.720 0.08 . 1 . . . . . . . . 5764 1 483 . 1 1 45 45 ILE CG1 C 13 26.800 0.08 . 1 . . . . . . . . 5764 1 484 . 1 1 45 45 ILE HG13 H 1 1.540 0.02 . 2 . . . . . . . . 5764 1 485 . 1 1 45 45 ILE CD1 C 13 10.320 0.08 . 1 . . . . . . . . 5764 1 486 . 1 1 45 45 ILE HG12 H 1 1.110 0.02 . 2 . . . . . . . . 5764 1 487 . 1 1 45 45 ILE HD11 H 1 0.560 0.02 . 1 . . . . . . . . 5764 1 488 . 1 1 45 45 ILE HD12 H 1 0.560 0.02 . 1 . . . . . . . . 5764 1 489 . 1 1 45 45 ILE HD13 H 1 0.560 0.02 . 1 . . . . . . . . 5764 1 490 . 1 1 45 45 ILE HG21 H 1 0.760 0.02 . 1 . . . . . . . . 5764 1 491 . 1 1 45 45 ILE HG22 H 1 0.760 0.02 . 1 . . . . . . . . 5764 1 492 . 1 1 45 45 ILE HG23 H 1 0.760 0.02 . 1 . . . . . . . . 5764 1 493 . 1 1 46 46 GLN H H 1 8.587 0.02 . 1 . . . . . . . . 5764 1 494 . 1 1 46 46 GLN N N 15 121.388 0.07 . 1 . . . . . . . . 5764 1 495 . 1 1 46 46 GLN CA C 13 59.817 0.08 . 1 . . . . . . . . 5764 1 496 . 1 1 46 46 GLN HA H 1 3.689 0.02 . 1 . . . . . . . . 5764 1 497 . 1 1 46 46 GLN C C 13 177.271 0.08 . 1 . . . . . . . . 5764 1 498 . 1 1 46 46 GLN CB C 13 27.898 0.08 . 1 . . . . . . . . 5764 1 499 . 1 1 46 46 GLN HB3 H 1 2.230 0.02 . 1 . . . . . . . . 5764 1 500 . 1 1 46 46 GLN CG C 13 34.020 0.08 . 1 . . . . . . . . 5764 1 501 . 1 1 46 46 GLN HG3 H 1 2.380 0.02 . 1 . . . . . . . . 5764 1 502 . 1 1 46 46 GLN NE2 N 15 110.302 0.07 . 1 . . . . . . . . 5764 1 503 . 1 1 46 46 GLN HE22 H 1 6.818 0.02 . 2 . . . . . . . . 5764 1 504 . 1 1 46 46 GLN HE21 H 1 7.459 0.02 . 2 . . . . . . . . 5764 1 505 . 1 1 46 46 GLN HB2 H 1 2.160 0.02 . 1 . . . . . . . . 5764 1 506 . 1 1 46 46 GLN HG2 H 1 2.380 0.02 . 1 . . . . . . . . 5764 1 507 . 1 1 47 47 GLU H H 1 7.870 0.02 . 1 . . . . . . . . 5764 1 508 . 1 1 47 47 GLU N N 15 116.098 0.07 . 1 . . . . . . . . 5764 1 509 . 1 1 47 47 GLU CA C 13 59.023 0.08 . 1 . . . . . . . . 5764 1 510 . 1 1 47 47 GLU HA H 1 4.094 0.02 . 1 . . . . . . . . 5764 1 511 . 1 1 47 47 GLU C C 13 179.004 0.08 . 1 . . . . . . . . 5764 1 512 . 1 1 47 47 GLU CB C 13 29.628 0.08 . 1 . . . . . . . . 5764 1 513 . 1 1 47 47 GLU HB3 H 1 2.140 0.02 . 2 . . . . . . . . 5764 1 514 . 1 1 47 47 GLU CG C 13 36.220 0.08 . 1 . . . . . . . . 5764 1 515 . 1 1 47 47 GLU HG3 H 1 2.380 0.02 . 2 . . . . . . . . 5764 1 516 . 1 1 47 47 GLU HB2 H 1 2.080 0.02 . 2 . . . . . . . . 5764 1 517 . 1 1 47 47 GLU HG2 H 1 2.310 0.02 . 2 . . . . . . . . 5764 1 518 . 1 1 48 48 LEU H H 1 7.561 0.02 . 1 . . . . . . . . 5764 1 519 . 1 1 48 48 LEU N N 15 118.035 0.07 . 1 . . . . . . . . 5764 1 520 . 1 1 48 48 LEU CA C 13 57.525 0.08 . 1 . . . . . . . . 5764 1 521 . 1 1 48 48 LEU HA H 1 4.054 0.02 . 1 . . . . . . . . 5764 1 522 . 1 1 48 48 LEU C C 13 179.350 0.08 . 1 . . . . . . . . 5764 1 523 . 1 1 48 48 LEU CB C 13 43.502 0.08 . 1 . . . . . . . . 5764 1 524 . 1 1 48 48 LEU HB3 H 1 1.550 0.02 . 1 . . . . . . . . 5764 1 525 . 1 1 48 48 LEU CG C 13 26.630 0.08 . 1 . . . . . . . . 5764 1 526 . 1 1 48 48 LEU CD1 C 13 24.380 0.08 . 1 . . . . . . . . 5764 1 527 . 1 1 48 48 LEU CD2 C 13 24.650 0.08 . 1 . . . . . . . . 5764 1 528 . 1 1 48 48 LEU HG H 1 1.110 0.02 . 1 . . . . . . . . 5764 1 529 . 1 1 48 48 LEU HB2 H 1 1.080 0.02 . 1 . . . . . . . . 5764 1 530 . 1 1 48 48 LEU HD11 H 1 0.310 0.02 . 1 . . . . . . . . 5764 1 531 . 1 1 48 48 LEU HD12 H 1 0.310 0.02 . 1 . . . . . . . . 5764 1 532 . 1 1 48 48 LEU HD13 H 1 0.310 0.02 . 1 . . . . . . . . 5764 1 533 . 1 1 48 48 LEU HD21 H 1 0.540 0.02 . 1 . . . . . . . . 5764 1 534 . 1 1 48 48 LEU HD22 H 1 0.540 0.02 . 1 . . . . . . . . 5764 1 535 . 1 1 48 48 LEU HD23 H 1 0.540 0.02 . 1 . . . . . . . . 5764 1 536 . 1 1 49 49 PHE H H 1 7.973 0.02 . 1 . . . . . . . . 5764 1 537 . 1 1 49 49 PHE N N 15 112.618 0.07 . 1 . . . . . . . . 5764 1 538 . 1 1 49 49 PHE CA C 13 61.361 0.08 . 1 . . . . . . . . 5764 1 539 . 1 1 49 49 PHE HA H 1 4.928 0.02 . 1 . . . . . . . . 5764 1 540 . 1 1 49 49 PHE C C 13 176.846 0.08 . 1 . . . . . . . . 5764 1 541 . 1 1 49 49 PHE CB C 13 39.975 0.08 . 1 . . . . . . . . 5764 1 542 . 1 1 49 49 PHE HB3 H 1 3.450 0.02 . 1 . . . . . . . . 5764 1 543 . 1 1 49 49 PHE CD1 C 13 132.260 0.08 . 1 . . . . . . . . 5764 1 544 . 1 1 49 49 PHE HD1 H 1 7.690 0.02 . 1 . . . . . . . . 5764 1 545 . 1 1 49 49 PHE CD2 C 13 132.260 0.08 . 1 . . . . . . . . 5764 1 546 . 1 1 49 49 PHE HD2 H 1 7.690 0.02 . 1 . . . . . . . . 5764 1 547 . 1 1 49 49 PHE CE1 C 13 130.460 0.08 . 1 . . . . . . . . 5764 1 548 . 1 1 49 49 PHE HE1 H 1 7.040 0.02 . 1 . . . . . . . . 5764 1 549 . 1 1 49 49 PHE CE2 C 13 130.460 0.08 . 1 . . . . . . . . 5764 1 550 . 1 1 49 49 PHE HE2 H 1 7.040 0.02 . 1 . . . . . . . . 5764 1 551 . 1 1 49 49 PHE CZ C 13 129.510 0.08 . 1 . . . . . . . . 5764 1 552 . 1 1 49 49 PHE HZ H 1 7.140 0.02 . 1 . . . . . . . . 5764 1 553 . 1 1 49 49 PHE HB2 H 1 2.810 0.02 . 1 . . . . . . . . 5764 1 554 . 1 1 50 50 ALA H H 1 8.381 0.02 . 1 . . . . . . . . 5764 1 555 . 1 1 50 50 ALA N N 15 122.279 0.07 . 1 . . . . . . . . 5764 1 556 . 1 1 50 50 ALA CA C 13 55.060 0.08 . 1 . . . . . . . . 5764 1 557 . 1 1 50 50 ALA HA H 1 4.419 0.02 . 1 . . . . . . . . 5764 1 558 . 1 1 50 50 ALA C C 13 179.233 0.08 . 1 . . . . . . . . 5764 1 559 . 1 1 50 50 ALA CB C 13 18.444 0.08 . 1 . . . . . . . . 5764 1 560 . 1 1 50 50 ALA HB1 H 1 1.580 0.02 . 1 . . . . . . . . 5764 1 561 . 1 1 50 50 ALA HB2 H 1 1.580 0.02 . 1 . . . . . . . . 5764 1 562 . 1 1 50 50 ALA HB3 H 1 1.580 0.02 . 1 . . . . . . . . 5764 1 563 . 1 1 51 51 GLU H H 1 7.497 0.02 . 1 . . . . . . . . 5764 1 564 . 1 1 51 51 GLU N N 15 113.114 0.07 . 1 . . . . . . . . 5764 1 565 . 1 1 51 51 GLU CA C 13 57.849 0.08 . 1 . . . . . . . . 5764 1 566 . 1 1 51 51 GLU HA H 1 3.997 0.02 . 1 . . . . . . . . 5764 1 567 . 1 1 51 51 GLU C C 13 177.216 0.08 . 1 . . . . . . . . 5764 1 568 . 1 1 51 51 GLU CB C 13 29.778 0.08 . 1 . . . . . . . . 5764 1 569 . 1 1 51 51 GLU HB3 H 1 1.810 0.02 . 2 . . . . . . . . 5764 1 570 . 1 1 51 51 GLU CG C 13 35.100 0.08 . 1 . . . . . . . . 5764 1 571 . 1 1 51 51 GLU HG3 H 1 1.730 0.02 . 2 . . . . . . . . 5764 1 572 . 1 1 51 51 GLU HB2 H 1 1.610 0.02 . 2 . . . . . . . . 5764 1 573 . 1 1 51 51 GLU HG2 H 1 1.400 0.02 . 2 . . . . . . . . 5764 1 574 . 1 1 52 52 PHE H H 1 7.684 0.02 . 1 . . . . . . . . 5764 1 575 . 1 1 52 52 PHE N N 15 115.712 0.07 . 1 . . . . . . . . 5764 1 576 . 1 1 52 52 PHE CA C 13 59.941 0.08 . 1 . . . . . . . . 5764 1 577 . 1 1 52 52 PHE HA H 1 4.305 0.02 . 1 . . . . . . . . 5764 1 578 . 1 1 52 52 PHE C C 13 174.633 0.08 . 1 . . . . . . . . 5764 1 579 . 1 1 52 52 PHE CB C 13 39.697 0.08 . 1 . . . . . . . . 5764 1 580 . 1 1 52 52 PHE HB3 H 1 3.270 0.02 . 1 . . . . . . . . 5764 1 581 . 1 1 52 52 PHE CD1 C 13 131.890 0.08 . 1 . . . . . . . . 5764 1 582 . 1 1 52 52 PHE HD1 H 1 7.580 0.02 . 1 . . . . . . . . 5764 1 583 . 1 1 52 52 PHE CD2 C 13 131.890 0.08 . 1 . . . . . . . . 5764 1 584 . 1 1 52 52 PHE HD2 H 1 7.580 0.02 . 1 . . . . . . . . 5764 1 585 . 1 1 52 52 PHE CE1 C 13 129.600 0.08 . 1 . . . . . . . . 5764 1 586 . 1 1 52 52 PHE HE1 H 1 7.210 0.02 . 1 . . . . . . . . 5764 1 587 . 1 1 52 52 PHE CE2 C 13 129.600 0.08 . 1 . . . . . . . . 5764 1 588 . 1 1 52 52 PHE HE2 H 1 7.210 0.02 . 1 . . . . . . . . 5764 1 589 . 1 1 52 52 PHE CZ C 13 129.410 0.08 . 1 . . . . . . . . 5764 1 590 . 1 1 52 52 PHE HZ H 1 6.850 0.02 . 1 . . . . . . . . 5764 1 591 . 1 1 52 52 PHE HB2 H 1 3.140 0.02 . 1 . . . . . . . . 5764 1 592 . 1 1 53 53 GLY H H 1 7.525 0.02 . 1 . . . . . . . . 5764 1 593 . 1 1 53 53 GLY N N 15 104.934 0.07 . 1 . . . . . . . . 5764 1 594 . 1 1 53 53 GLY CA C 13 44.808 0.08 . 1 . . . . . . . . 5764 1 595 . 1 1 53 53 GLY HA3 H 1 4.834 0.02 . 1 . . . . . . . . 5764 1 596 . 1 1 53 53 GLY C C 13 172.093 0.08 . 1 . . . . . . . . 5764 1 597 . 1 1 53 53 GLY HA2 H 1 3.890 0.02 . 1 . . . . . . . . 5764 1 598 . 1 1 54 54 THR H H 1 8.223 0.02 . 1 . . . . . . . . 5764 1 599 . 1 1 54 54 THR N N 15 113.086 0.07 . 1 . . . . . . . . 5764 1 600 . 1 1 54 54 THR CA C 13 64.249 0.08 . 1 . . . . . . . . 5764 1 601 . 1 1 54 54 THR HA H 1 4.150 0.02 . 1 . . . . . . . . 5764 1 602 . 1 1 54 54 THR C C 13 175.439 0.08 . 1 . . . . . . . . 5764 1 603 . 1 1 54 54 THR CB C 13 69.566 0.08 . 1 . . . . . . . . 5764 1 604 . 1 1 54 54 THR HB H 1 4.098 0.02 . 1 . . . . . . . . 5764 1 605 . 1 1 54 54 THR CG2 C 13 22.490 0.08 . 1 . . . . . . . . 5764 1 606 . 1 1 54 54 THR HG21 H 1 1.230 0.02 . 1 . . . . . . . . 5764 1 607 . 1 1 54 54 THR HG22 H 1 1.230 0.02 . 1 . . . . . . . . 5764 1 608 . 1 1 54 54 THR HG23 H 1 1.230 0.02 . 1 . . . . . . . . 5764 1 609 . 1 1 55 55 LEU H H 1 9.036 0.02 . 1 . . . . . . . . 5764 1 610 . 1 1 55 55 LEU N N 15 129.382 0.07 . 1 . . . . . . . . 5764 1 611 . 1 1 55 55 LEU CA C 13 54.306 0.08 . 1 . . . . . . . . 5764 1 612 . 1 1 55 55 LEU HA H 1 4.406 0.02 . 1 . . . . . . . . 5764 1 613 . 1 1 55 55 LEU C C 13 177.293 0.08 . 1 . . . . . . . . 5764 1 614 . 1 1 55 55 LEU CB C 13 43.599 0.08 . 1 . . . . . . . . 5764 1 615 . 1 1 55 55 LEU HB3 H 1 1.720 0.02 . 1 . . . . . . . . 5764 1 616 . 1 1 55 55 LEU CG C 13 26.570 0.08 . 1 . . . . . . . . 5764 1 617 . 1 1 55 55 LEU CD1 C 13 26.080 0.08 . 1 . . . . . . . . 5764 1 618 . 1 1 55 55 LEU CD2 C 13 24.200 0.08 . 1 . . . . . . . . 5764 1 619 . 1 1 55 55 LEU HG H 1 1.570 0.02 . 1 . . . . . . . . 5764 1 620 . 1 1 55 55 LEU HB2 H 1 1.020 0.02 . 1 . . . . . . . . 5764 1 621 . 1 1 55 55 LEU HD11 H 1 0.740 0.02 . 1 . . . . . . . . 5764 1 622 . 1 1 55 55 LEU HD12 H 1 0.740 0.02 . 1 . . . . . . . . 5764 1 623 . 1 1 55 55 LEU HD13 H 1 0.740 0.02 . 1 . . . . . . . . 5764 1 624 . 1 1 55 55 LEU HD21 H 1 -0.013 0.02 . 1 . . . . . . . . 5764 1 625 . 1 1 55 55 LEU HD22 H 1 -0.013 0.02 . 1 . . . . . . . . 5764 1 626 . 1 1 55 55 LEU HD23 H 1 -0.013 0.02 . 1 . . . . . . . . 5764 1 627 . 1 1 56 56 LYS H H 1 9.051 0.02 . 1 . . . . . . . . 5764 1 628 . 1 1 56 56 LYS N N 15 122.117 0.07 . 1 . . . . . . . . 5764 1 629 . 1 1 56 56 LYS CA C 13 56.317 0.08 . 1 . . . . . . . . 5764 1 630 . 1 1 56 56 LYS HA H 1 4.400 0.02 . 1 . . . . . . . . 5764 1 631 . 1 1 56 56 LYS C C 13 176.464 0.08 . 1 . . . . . . . . 5764 1 632 . 1 1 56 56 LYS CB C 13 33.371 0.08 . 1 . . . . . . . . 5764 1 633 . 1 1 56 56 LYS HB3 H 1 1.710 0.02 . 2 . . . . . . . . 5764 1 634 . 1 1 56 56 LYS CG C 13 24.380 0.08 . 1 . . . . . . . . 5764 1 635 . 1 1 56 56 LYS HG3 H 1 1.500 0.02 . 1 . . . . . . . . 5764 1 636 . 1 1 56 56 LYS CD C 13 29.500 0.08 . 1 . . . . . . . . 5764 1 637 . 1 1 56 56 LYS HE3 H 1 2.890 0.02 . 1 . . . . . . . . 5764 1 638 . 1 1 56 56 LYS HB2 H 1 1.340 0.02 . 2 . . . . . . . . 5764 1 639 . 1 1 56 56 LYS HG2 H 1 1.500 0.02 . 1 . . . . . . . . 5764 1 640 . 1 1 56 56 LYS HE2 H 1 2.890 0.02 . 1 . . . . . . . . 5764 1 641 . 1 1 57 57 LYS H H 1 7.477 0.02 . 1 . . . . . . . . 5764 1 642 . 1 1 57 57 LYS N N 15 117.572 0.07 . 1 . . . . . . . . 5764 1 643 . 1 1 57 57 LYS CA C 13 56.604 0.08 . 1 . . . . . . . . 5764 1 644 . 1 1 57 57 LYS HA H 1 4.268 0.02 . 1 . . . . . . . . 5764 1 645 . 1 1 57 57 LYS C C 13 173.663 0.08 . 1 . . . . . . . . 5764 1 646 . 1 1 57 57 LYS CB C 13 35.916 0.08 . 1 . . . . . . . . 5764 1 647 . 1 1 57 57 LYS HB3 H 1 1.690 0.02 . 2 . . . . . . . . 5764 1 648 . 1 1 57 57 LYS CG C 13 24.710 0.08 . 1 . . . . . . . . 5764 1 649 . 1 1 57 57 LYS HG3 H 1 1.430 0.02 . 2 . . . . . . . . 5764 1 650 . 1 1 57 57 LYS CD C 13 27.480 0.08 . 1 . . . . . . . . 5764 1 651 . 1 1 57 57 LYS HD3 H 1 1.630 0.02 . 2 . . . . . . . . 5764 1 652 . 1 1 57 57 LYS HE3 H 1 3.130 0.02 . 2 . . . . . . . . 5764 1 653 . 1 1 57 57 LYS HB2 H 1 1.260 0.02 . 2 . . . . . . . . 5764 1 654 . 1 1 57 57 LYS HG2 H 1 1.040 0.02 . 2 . . . . . . . . 5764 1 655 . 1 1 57 57 LYS HD2 H 1 1.490 0.02 . 2 . . . . . . . . 5764 1 656 . 1 1 57 57 LYS HE2 H 1 2.920 0.02 . 2 . . . . . . . . 5764 1 657 . 1 1 58 58 ALA H H 1 8.612 0.02 . 1 . . . . . . . . 5764 1 658 . 1 1 58 58 ALA N N 15 128.631 0.07 . 1 . . . . . . . . 5764 1 659 . 1 1 58 58 ALA CA C 13 51.922 0.08 . 1 . . . . . . . . 5764 1 660 . 1 1 58 58 ALA HA H 1 4.953 0.02 . 1 . . . . . . . . 5764 1 661 . 1 1 58 58 ALA C C 13 174.092 0.08 . 1 . . . . . . . . 5764 1 662 . 1 1 58 58 ALA CB C 13 19.784 0.08 . 1 . . . . . . . . 5764 1 663 . 1 1 58 58 ALA HB1 H 1 1.210 0.02 . 1 . . . . . . . . 5764 1 664 . 1 1 58 58 ALA HB2 H 1 1.210 0.02 . 1 . . . . . . . . 5764 1 665 . 1 1 58 58 ALA HB3 H 1 1.210 0.02 . 1 . . . . . . . . 5764 1 666 . 1 1 59 59 ALA H H 1 8.383 0.02 . 1 . . . . . . . . 5764 1 667 . 1 1 59 59 ALA N N 15 124.413 0.07 . 1 . . . . . . . . 5764 1 668 . 1 1 59 59 ALA CA C 13 51.420 0.08 . 1 . . . . . . . . 5764 1 669 . 1 1 59 59 ALA HA H 1 4.758 0.02 . 1 . . . . . . . . 5764 1 670 . 1 1 59 59 ALA C C 13 174.080 0.08 . 1 . . . . . . . . 5764 1 671 . 1 1 59 59 ALA CB C 13 22.700 0.08 . 1 . . . . . . . . 5764 1 672 . 1 1 59 59 ALA HB1 H 1 1.320 0.02 . 1 . . . . . . . . 5764 1 673 . 1 1 59 59 ALA HB2 H 1 1.320 0.02 . 1 . . . . . . . . 5764 1 674 . 1 1 59 59 ALA HB3 H 1 1.320 0.02 . 1 . . . . . . . . 5764 1 675 . 1 1 60 60 VAL H H 1 8.319 0.02 . 1 . . . . . . . . 5764 1 676 . 1 1 60 60 VAL N N 15 119.041 0.07 . 1 . . . . . . . . 5764 1 677 . 1 1 60 60 VAL CA C 13 59.510 0.08 . 1 . . . . . . . . 5764 1 678 . 1 1 60 60 VAL HA H 1 3.730 0.02 . 1 . . . . . . . . 5764 1 679 . 1 1 60 60 VAL CB C 13 33.500 0.08 . 1 . . . . . . . . 5764 1 680 . 1 1 60 60 VAL HB H 1 1.920 0.02 . 1 . . . . . . . . 5764 1 681 . 1 1 60 60 VAL CG1 C 13 20.700 0.08 . 1 . . . . . . . . 5764 1 682 . 1 1 60 60 VAL CG2 C 13 22.990 0.08 . 1 . . . . . . . . 5764 1 683 . 1 1 60 60 VAL HG21 H 1 0.710 0.02 . 1 . . . . . . . . 5764 1 684 . 1 1 60 60 VAL HG22 H 1 0.710 0.02 . 1 . . . . . . . . 5764 1 685 . 1 1 60 60 VAL HG23 H 1 0.710 0.02 . 1 . . . . . . . . 5764 1 686 . 1 1 60 60 VAL HG11 H 1 0.460 0.02 . 1 . . . . . . . . 5764 1 687 . 1 1 60 60 VAL HG12 H 1 0.460 0.02 . 1 . . . . . . . . 5764 1 688 . 1 1 60 60 VAL HG13 H 1 0.460 0.02 . 1 . . . . . . . . 5764 1 689 . 1 1 61 61 HIS H H 1 8.660 0.02 . 1 . . . . . . . . 5764 1 690 . 1 1 61 61 HIS N N 15 121.436 0.07 . 1 . . . . . . . . 5764 1 691 . 1 1 61 61 HIS CE1 C 13 138.990 0.08 . 1 . . . . . . . . 5764 1 692 . 1 1 61 61 HIS HE1 H 1 7.780 0.02 . 1 . . . . . . . . 5764 1 693 . 1 1 62 62 TYR H H 1 8.847 0.02 . 1 . . . . . . . . 5764 1 694 . 1 1 62 62 TYR N N 15 125.185 0.07 . 1 . . . . . . . . 5764 1 695 . 1 1 62 62 TYR CA C 13 62.630 0.08 . 1 . . . . . . . . 5764 1 696 . 1 1 62 62 TYR HA H 1 5.000 0.02 . 1 . . . . . . . . 5764 1 697 . 1 1 62 62 TYR C C 13 175.832 0.08 . 1 . . . . . . . . 5764 1 698 . 1 1 62 62 TYR CB C 13 34.583 0.08 . 1 . . . . . . . . 5764 1 699 . 1 1 62 62 TYR HB3 H 1 3.450 0.02 . 2 . . . . . . . . 5764 1 700 . 1 1 62 62 TYR CD1 C 13 133.380 0.08 . 1 . . . . . . . . 5764 1 701 . 1 1 62 62 TYR HD1 H 1 6.930 0.02 . 1 . . . . . . . . 5764 1 702 . 1 1 62 62 TYR CD2 C 13 133.380 0.08 . 1 . . . . . . . . 5764 1 703 . 1 1 62 62 TYR HD2 H 1 6.930 0.02 . 1 . . . . . . . . 5764 1 704 . 1 1 62 62 TYR CE1 C 13 117.920 0.08 . 1 . . . . . . . . 5764 1 705 . 1 1 62 62 TYR HE1 H 1 6.890 0.02 . 1 . . . . . . . . 5764 1 706 . 1 1 62 62 TYR CE2 C 13 117.920 0.08 . 1 . . . . . . . . 5764 1 707 . 1 1 62 62 TYR HE2 H 1 6.890 0.02 . 1 . . . . . . . . 5764 1 708 . 1 1 62 62 TYR HB2 H 1 2.680 0.02 . 2 . . . . . . . . 5764 1 709 . 1 1 63 63 ASP H H 1 8.663 0.02 . 1 . . . . . . . . 5764 1 710 . 1 1 63 63 ASP N N 15 121.436 0.07 . 1 . . . . . . . . 5764 1 711 . 1 1 63 63 ASP CA C 13 54.460 0.08 . 1 . . . . . . . . 5764 1 712 . 1 1 63 63 ASP HA H 1 4.563 0.02 . 1 . . . . . . . . 5764 1 713 . 1 1 63 63 ASP C C 13 174.740 0.08 . 1 . . . . . . . . 5764 1 714 . 1 1 63 63 ASP CB C 13 41.799 0.08 . 1 . . . . . . . . 5764 1 715 . 1 1 63 63 ASP HB3 H 1 3.140 0.02 . 2 . . . . . . . . 5764 1 716 . 1 1 63 63 ASP HB2 H 1 2.690 0.02 . 2 . . . . . . . . 5764 1 717 . 1 1 64 64 ARG H H 1 8.345 0.02 . 1 . . . . . . . . 5764 1 718 . 1 1 64 64 ARG N N 15 124.927 0.07 . 1 . . . . . . . . 5764 1 719 . 1 1 64 64 ARG CA C 13 52.520 0.08 . 1 . . . . . . . . 5764 1 720 . 1 1 64 64 ARG HA H 1 3.746 0.02 . 1 . . . . . . . . 5764 1 721 . 1 1 64 64 ARG HB3 H 1 1.940 0.02 . 2 . . . . . . . . 5764 1 722 . 1 1 64 64 ARG HG3 H 1 1.560 0.02 . 2 . . . . . . . . 5764 1 723 . 1 1 64 64 ARG CD C 13 43.400 0.08 . 1 . . . . . . . . 5764 1 724 . 1 1 64 64 ARG HD3 H 1 3.100 0.02 . 1 . . . . . . . . 5764 1 725 . 1 1 64 64 ARG NE N 15 85.560 0.07 . 1 . . . . . . . . 5764 1 726 . 1 1 64 64 ARG HE H 1 7.300 0.02 . 1 . . . . . . . . 5764 1 727 . 1 1 64 64 ARG HB2 H 1 1.830 0.02 . 2 . . . . . . . . 5764 1 728 . 1 1 64 64 ARG HG2 H 1 1.500 0.02 . 2 . . . . . . . . 5764 1 729 . 1 1 64 64 ARG HD2 H 1 3.100 0.02 . 1 . . . . . . . . 5764 1 730 . 1 1 65 65 SER H H 1 8.393 0.02 . 1 . . . . . . . . 5764 1 731 . 1 1 65 65 SER N N 15 115.374 0.07 . 1 . . . . . . . . 5764 1 732 . 1 1 65 65 SER CA C 13 58.587 0.08 . 1 . . . . . . . . 5764 1 733 . 1 1 65 65 SER HA H 1 4.603 0.02 . 1 . . . . . . . . 5764 1 734 . 1 1 65 65 SER C C 13 174.535 0.08 . 1 . . . . . . . . 5764 1 735 . 1 1 65 65 SER CB C 13 64.227 0.08 . 1 . . . . . . . . 5764 1 736 . 1 1 65 65 SER HB3 H 1 3.985 0.02 . 1 . . . . . . . . 5764 1 737 . 1 1 65 65 SER HB2 H 1 3.985 0.02 . 1 . . . . . . . . 5764 1 738 . 1 1 66 66 GLY H H 1 8.208 0.02 . 1 . . . . . . . . 5764 1 739 . 1 1 66 66 GLY N N 15 109.977 0.07 . 1 . . . . . . . . 5764 1 740 . 1 1 66 66 GLY CA C 13 45.472 0.08 . 1 . . . . . . . . 5764 1 741 . 1 1 66 66 GLY HA3 H 1 4.211 0.02 . 1 . . . . . . . . 5764 1 742 . 1 1 66 66 GLY C C 13 173.673 0.08 . 1 . . . . . . . . 5764 1 743 . 1 1 66 66 GLY HA2 H 1 3.639 0.02 . 1 . . . . . . . . 5764 1 744 . 1 1 67 67 ARG H H 1 8.312 0.02 . 1 . . . . . . . . 5764 1 745 . 1 1 67 67 ARG N N 15 122.679 0.07 . 1 . . . . . . . . 5764 1 746 . 1 1 67 67 ARG CA C 13 55.259 0.08 . 1 . . . . . . . . 5764 1 747 . 1 1 67 67 ARG HA H 1 4.544 0.02 . 1 . . . . . . . . 5764 1 748 . 1 1 67 67 ARG C C 13 176.268 0.08 . 1 . . . . . . . . 5764 1 749 . 1 1 67 67 ARG CB C 13 30.926 0.08 . 1 . . . . . . . . 5764 1 750 . 1 1 67 67 ARG HB3 H 1 1.870 0.02 . 2 . . . . . . . . 5764 1 751 . 1 1 67 67 ARG CG C 13 27.490 0.08 . 1 . . . . . . . . 5764 1 752 . 1 1 67 67 ARG HG3 H 1 1.620 0.02 . 1 . . . . . . . . 5764 1 753 . 1 1 67 67 ARG CD C 13 43.220 0.08 . 1 . . . . . . . . 5764 1 754 . 1 1 67 67 ARG HD3 H 1 2.740 0.02 . 1 . . . . . . . . 5764 1 755 . 1 1 67 67 ARG NE N 15 84.890 0.07 . 1 . . . . . . . . 5764 1 756 . 1 1 67 67 ARG HE H 1 7.230 0.02 . 1 . . . . . . . . 5764 1 757 . 1 1 67 67 ARG HB2 H 1 1.820 0.02 . 2 . . . . . . . . 5764 1 758 . 1 1 67 67 ARG HG2 H 1 1.620 0.02 . 1 . . . . . . . . 5764 1 759 . 1 1 67 67 ARG HD2 H 1 2.740 0.02 . 1 . . . . . . . . 5764 1 760 . 1 1 68 68 SER H H 1 8.905 0.02 . 1 . . . . . . . . 5764 1 761 . 1 1 68 68 SER N N 15 118.969 0.07 . 1 . . . . . . . . 5764 1 762 . 1 1 68 68 SER CA C 13 58.298 0.08 . 1 . . . . . . . . 5764 1 763 . 1 1 68 68 SER HA H 1 4.092 0.02 . 1 . . . . . . . . 5764 1 764 . 1 1 68 68 SER CB C 13 63.750 0.08 . 1 . . . . . . . . 5764 1 765 . 1 1 68 68 SER HB3 H 1 3.870 0.02 . 1 . . . . . . . . 5764 1 766 . 1 1 68 68 SER HB2 H 1 3.870 0.02 . 1 . . . . . . . . 5764 1 767 . 1 1 69 69 LEU H H 1 8.547 0.02 . 1 . . . . . . . . 5764 1 768 . 1 1 69 69 LEU N N 15 117.916 0.07 . 1 . . . . . . . . 5764 1 769 . 1 1 69 69 LEU CA C 13 54.981 0.08 . 1 . . . . . . . . 5764 1 770 . 1 1 69 69 LEU HA H 1 4.425 0.02 . 1 . . . . . . . . 5764 1 771 . 1 1 69 69 LEU C C 13 179.200 0.08 . 1 . . . . . . . . 5764 1 772 . 1 1 69 69 LEU CB C 13 42.555 0.08 . 1 . . . . . . . . 5764 1 773 . 1 1 69 69 LEU HB3 H 1 1.740 0.02 . 2 . . . . . . . . 5764 1 774 . 1 1 69 69 LEU CD1 C 13 23.460 0.08 . 2 . . . . . . . . 5764 1 775 . 1 1 69 69 LEU HB2 H 1 1.580 0.02 . 2 . . . . . . . . 5764 1 776 . 1 1 69 69 LEU HD11 H 1 0.970 0.02 . 2 . . . . . . . . 5764 1 777 . 1 1 69 69 LEU HD12 H 1 0.970 0.02 . 2 . . . . . . . . 5764 1 778 . 1 1 69 69 LEU HD13 H 1 0.970 0.02 . 2 . . . . . . . . 5764 1 779 . 1 1 69 69 LEU HD21 H 1 0.780 0.02 . 2 . . . . . . . . 5764 1 780 . 1 1 69 69 LEU HD22 H 1 0.780 0.02 . 2 . . . . . . . . 5764 1 781 . 1 1 69 69 LEU HD23 H 1 0.780 0.02 . 2 . . . . . . . . 5764 1 782 . 1 1 70 70 GLY H H 1 9.661 0.02 . 1 . . . . . . . . 5764 1 783 . 1 1 70 70 GLY N N 15 109.763 0.07 . 1 . . . . . . . . 5764 1 784 . 1 1 70 70 GLY CA C 13 46.169 0.08 . 1 . . . . . . . . 5764 1 785 . 1 1 70 70 GLY HA3 H 1 4.104 0.02 . 1 . . . . . . . . 5764 1 786 . 1 1 70 70 GLY C C 13 172.158 0.08 . 1 . . . . . . . . 5764 1 787 . 1 1 70 70 GLY HA2 H 1 3.488 0.02 . 1 . . . . . . . . 5764 1 788 . 1 1 71 71 THR H H 1 7.006 0.02 . 1 . . . . . . . . 5764 1 789 . 1 1 71 71 THR N N 15 106.772 0.07 . 1 . . . . . . . . 5764 1 790 . 1 1 71 71 THR CA C 13 58.310 0.08 . 1 . . . . . . . . 5764 1 791 . 1 1 71 71 THR HA H 1 5.425 0.02 . 1 . . . . . . . . 5764 1 792 . 1 1 71 71 THR CB C 13 72.560 0.08 . 1 . . . . . . . . 5764 1 793 . 1 1 71 71 THR HB H 1 4.170 0.02 . 1 . . . . . . . . 5764 1 794 . 1 1 71 71 THR CG2 C 13 21.680 0.08 . 1 . . . . . . . . 5764 1 795 . 1 1 71 71 THR HG21 H 1 1.110 0.02 . 1 . . . . . . . . 5764 1 796 . 1 1 71 71 THR HG22 H 1 1.110 0.02 . 1 . . . . . . . . 5764 1 797 . 1 1 71 71 THR HG23 H 1 1.110 0.02 . 1 . . . . . . . . 5764 1 798 . 1 1 72 72 ALA H H 1 9.049 0.02 . 1 . . . . . . . . 5764 1 799 . 1 1 72 72 ALA N N 15 120.958 0.07 . 1 . . . . . . . . 5764 1 800 . 1 1 72 72 ALA HA H 1 4.780 0.02 . 1 . . . . . . . . 5764 1 801 . 1 1 72 72 ALA HB1 H 1 1.170 0.02 . 1 . . . . . . . . 5764 1 802 . 1 1 72 72 ALA HB2 H 1 1.170 0.02 . 1 . . . . . . . . 5764 1 803 . 1 1 72 72 ALA HB3 H 1 1.170 0.02 . 1 . . . . . . . . 5764 1 804 . 1 1 73 73 ASP H H 1 9.120 0.02 . 1 . . . . . . . . 5764 1 805 . 1 1 73 73 ASP CA C 13 53.340 0.08 . 1 . . . . . . . . 5764 1 806 . 1 1 73 73 ASP HA H 1 5.160 0.02 . 1 . . . . . . . . 5764 1 807 . 1 1 73 73 ASP HB3 H 1 2.860 0.02 . 2 . . . . . . . . 5764 1 808 . 1 1 73 73 ASP HB2 H 1 2.130 0.02 . 2 . . . . . . . . 5764 1 809 . 1 1 74 74 VAL H H 1 8.110 0.02 . 1 . . . . . . . . 5764 1 810 . 1 1 74 74 VAL CA C 13 61.831 0.08 . 1 . . . . . . . . 5764 1 811 . 1 1 74 74 VAL HA H 1 4.261 0.02 . 1 . . . . . . . . 5764 1 812 . 1 1 74 74 VAL C C 13 173.891 0.08 . 1 . . . . . . . . 5764 1 813 . 1 1 74 74 VAL CB C 13 34.133 0.08 . 1 . . . . . . . . 5764 1 814 . 1 1 74 74 VAL HB H 1 1.460 0.02 . 1 . . . . . . . . 5764 1 815 . 1 1 74 74 VAL CG1 C 13 22.580 0.08 . 1 . . . . . . . . 5764 1 816 . 1 1 74 74 VAL CG2 C 13 21.050 0.08 . 1 . . . . . . . . 5764 1 817 . 1 1 74 74 VAL HG21 H 1 0.160 0.02 . 1 . . . . . . . . 5764 1 818 . 1 1 74 74 VAL HG22 H 1 0.160 0.02 . 1 . . . . . . . . 5764 1 819 . 1 1 74 74 VAL HG23 H 1 0.160 0.02 . 1 . . . . . . . . 5764 1 820 . 1 1 74 74 VAL HG11 H 1 0.210 0.02 . 1 . . . . . . . . 5764 1 821 . 1 1 74 74 VAL HG12 H 1 0.210 0.02 . 1 . . . . . . . . 5764 1 822 . 1 1 74 74 VAL HG13 H 1 0.210 0.02 . 1 . . . . . . . . 5764 1 823 . 1 1 75 75 HIS H H 1 9.218 0.02 . 1 . . . . . . . . 5764 1 824 . 1 1 75 75 HIS N N 15 126.793 0.07 . 1 . . . . . . . . 5764 1 825 . 1 1 75 75 HIS CA C 13 52.549 0.08 . 1 . . . . . . . . 5764 1 826 . 1 1 75 75 HIS HA H 1 5.633 0.02 . 1 . . . . . . . . 5764 1 827 . 1 1 75 75 HIS C C 13 174.720 0.08 . 1 . . . . . . . . 5764 1 828 . 1 1 75 75 HIS CB C 13 34.283 0.08 . 1 . . . . . . . . 5764 1 829 . 1 1 75 75 HIS HB3 H 1 3.080 0.02 . 1 . . . . . . . . 5764 1 830 . 1 1 75 75 HIS CD2 C 13 115.170 0.08 . 1 . . . . . . . . 5764 1 831 . 1 1 75 75 HIS HD2 H 1 6.880 0.02 . 1 . . . . . . . . 5764 1 832 . 1 1 75 75 HIS CE1 C 13 131.550 0.08 . 1 . . . . . . . . 5764 1 833 . 1 1 75 75 HIS HE1 H 1 7.540 0.02 . 1 . . . . . . . . 5764 1 834 . 1 1 75 75 HIS HB2 H 1 2.970 0.02 . 1 . . . . . . . . 5764 1 835 . 1 1 76 76 PHE H H 1 9.625 0.02 . 1 . . . . . . . . 5764 1 836 . 1 1 76 76 PHE N N 15 124.347 0.07 . 1 . . . . . . . . 5764 1 837 . 1 1 76 76 PHE CA C 13 58.098 0.08 . 1 . . . . . . . . 5764 1 838 . 1 1 76 76 PHE HA H 1 4.953 0.02 . 1 . . . . . . . . 5764 1 839 . 1 1 76 76 PHE C C 13 176.301 0.08 . 1 . . . . . . . . 5764 1 840 . 1 1 76 76 PHE CB C 13 41.799 0.08 . 1 . . . . . . . . 5764 1 841 . 1 1 76 76 PHE HB3 H 1 2.720 0.02 . 1 . . . . . . . . 5764 1 842 . 1 1 76 76 PHE CD1 C 13 131.450 0.08 . 1 . . . . . . . . 5764 1 843 . 1 1 76 76 PHE HD1 H 1 7.120 0.02 . 1 . . . . . . . . 5764 1 844 . 1 1 76 76 PHE CD2 C 13 131.450 0.08 . 1 . . . . . . . . 5764 1 845 . 1 1 76 76 PHE HD2 H 1 7.120 0.02 . 1 . . . . . . . . 5764 1 846 . 1 1 76 76 PHE CE1 C 13 130.860 0.08 . 1 . . . . . . . . 5764 1 847 . 1 1 76 76 PHE HE1 H 1 7.560 0.02 . 1 . . . . . . . . 5764 1 848 . 1 1 76 76 PHE CE2 C 13 130.860 0.08 . 1 . . . . . . . . 5764 1 849 . 1 1 76 76 PHE HE2 H 1 7.560 0.02 . 1 . . . . . . . . 5764 1 850 . 1 1 76 76 PHE CZ C 13 133.510 0.08 . 1 . . . . . . . . 5764 1 851 . 1 1 76 76 PHE HZ H 1 7.180 0.02 . 1 . . . . . . . . 5764 1 852 . 1 1 76 76 PHE HB2 H 1 3.830 0.02 . 1 . . . . . . . . 5764 1 853 . 1 1 77 77 GLU H H 1 8.318 0.02 . 1 . . . . . . . . 5764 1 854 . 1 1 77 77 GLU N N 15 122.357 0.07 . 1 . . . . . . . . 5764 1 855 . 1 1 77 77 GLU CA C 13 59.418 0.08 . 1 . . . . . . . . 5764 1 856 . 1 1 77 77 GLU HA H 1 4.035 0.02 . 1 . . . . . . . . 5764 1 857 . 1 1 77 77 GLU C C 13 176.377 0.08 . 1 . . . . . . . . 5764 1 858 . 1 1 77 77 GLU CB C 13 30.494 0.08 . 1 . . . . . . . . 5764 1 859 . 1 1 77 77 GLU HB3 H 1 2.210 0.02 . 2 . . . . . . . . 5764 1 860 . 1 1 77 77 GLU CG C 13 36.630 0.08 . 1 . . . . . . . . 5764 1 861 . 1 1 77 77 GLU HG3 H 1 2.270 0.02 . 2 . . . . . . . . 5764 1 862 . 1 1 77 77 GLU HB2 H 1 1.980 0.02 . 2 . . . . . . . . 5764 1 863 . 1 1 77 77 GLU HG2 H 1 2.160 0.02 . 2 . . . . . . . . 5764 1 864 . 1 1 78 78 ARG H H 1 9.271 0.02 . 1 . . . . . . . . 5764 1 865 . 1 1 78 78 ARG N N 15 115.278 0.07 . 1 . . . . . . . . 5764 1 866 . 1 1 78 78 ARG CA C 13 54.089 0.08 . 1 . . . . . . . . 5764 1 867 . 1 1 78 78 ARG HA H 1 4.815 0.02 . 1 . . . . . . . . 5764 1 868 . 1 1 78 78 ARG C C 13 177.020 0.08 . 1 . . . . . . . . 5764 1 869 . 1 1 78 78 ARG CB C 13 31.528 0.08 . 1 . . . . . . . . 5764 1 870 . 1 1 78 78 ARG HB3 H 1 1.920 0.02 . 2 . . . . . . . . 5764 1 871 . 1 1 78 78 ARG HG3 H 1 1.650 0.02 . 1 . . . . . . . . 5764 1 872 . 1 1 78 78 ARG CD C 13 43.520 0.08 . 1 . . . . . . . . 5764 1 873 . 1 1 78 78 ARG HD3 H 1 3.260 0.02 . 1 . . . . . . . . 5764 1 874 . 1 1 78 78 ARG NE N 15 84.700 0.07 . 1 . . . . . . . . 5764 1 875 . 1 1 78 78 ARG HE H 1 7.550 0.02 . 1 . . . . . . . . 5764 1 876 . 1 1 78 78 ARG HB2 H 1 1.880 0.02 . 2 . . . . . . . . 5764 1 877 . 1 1 78 78 ARG HG2 H 1 1.650 0.02 . 1 . . . . . . . . 5764 1 878 . 1 1 78 78 ARG HD2 H 1 3.260 0.02 . 1 . . . . . . . . 5764 1 879 . 1 1 79 79 LYS H H 1 9.390 0.02 . 1 . . . . . . . . 5764 1 880 . 1 1 79 79 LYS N N 15 128.172 0.07 . 1 . . . . . . . . 5764 1 881 . 1 1 79 79 LYS CA C 13 60.539 0.08 . 1 . . . . . . . . 5764 1 882 . 1 1 79 79 LYS HA H 1 4.809 0.02 . 1 . . . . . . . . 5764 1 883 . 1 1 79 79 LYS C C 13 177.936 0.08 . 1 . . . . . . . . 5764 1 884 . 1 1 79 79 LYS CB C 13 32.024 0.08 . 1 . . . . . . . . 5764 1 885 . 1 1 79 79 LYS HB3 H 1 1.830 0.02 . 1 . . . . . . . . 5764 1 886 . 1 1 79 79 LYS CG C 13 24.950 0.08 . 1 . . . . . . . . 5764 1 887 . 1 1 79 79 LYS HG3 H 1 1.330 0.02 . 1 . . . . . . . . 5764 1 888 . 1 1 79 79 LYS CD C 13 28.910 0.08 . 1 . . . . . . . . 5764 1 889 . 1 1 79 79 LYS HD3 H 1 2.120 0.02 . 1 . . . . . . . . 5764 1 890 . 1 1 79 79 LYS CE C 13 41.800 0.08 . 1 . . . . . . . . 5764 1 891 . 1 1 79 79 LYS HE3 H 1 3.483 0.02 . 1 . . . . . . . . 5764 1 892 . 1 1 79 79 LYS HB2 H 1 1.830 0.02 . 1 . . . . . . . . 5764 1 893 . 1 1 79 79 LYS HG2 H 1 1.330 0.02 . 1 . . . . . . . . 5764 1 894 . 1 1 79 79 LYS HD2 H 1 2.120 0.02 . 1 . . . . . . . . 5764 1 895 . 1 1 79 79 LYS HE2 H 1 3.483 0.02 . 1 . . . . . . . . 5764 1 896 . 1 1 80 80 ALA H H 1 9.136 0.02 . 1 . . . . . . . . 5764 1 897 . 1 1 80 80 ALA N N 15 117.676 0.07 . 1 . . . . . . . . 5764 1 898 . 1 1 80 80 ALA CA C 13 55.244 0.08 . 1 . . . . . . . . 5764 1 899 . 1 1 80 80 ALA HA H 1 3.947 0.02 . 1 . . . . . . . . 5764 1 900 . 1 1 80 80 ALA C C 13 180.127 0.08 . 1 . . . . . . . . 5764 1 901 . 1 1 80 80 ALA CB C 13 18.992 0.08 . 1 . . . . . . . . 5764 1 902 . 1 1 80 80 ALA HB1 H 1 1.370 0.02 . 1 . . . . . . . . 5764 1 903 . 1 1 80 80 ALA HB2 H 1 1.370 0.02 . 1 . . . . . . . . 5764 1 904 . 1 1 80 80 ALA HB3 H 1 1.370 0.02 . 1 . . . . . . . . 5764 1 905 . 1 1 81 81 ASP H H 1 6.817 0.02 . 1 . . . . . . . . 5764 1 906 . 1 1 81 81 ASP N N 15 118.228 0.07 . 1 . . . . . . . . 5764 1 907 . 1 1 81 81 ASP CA C 13 56.729 0.08 . 1 . . . . . . . . 5764 1 908 . 1 1 81 81 ASP HA H 1 4.299 0.02 . 1 . . . . . . . . 5764 1 909 . 1 1 81 81 ASP C C 13 176.390 0.08 . 1 . . . . . . . . 5764 1 910 . 1 1 81 81 ASP CB C 13 40.533 0.08 . 1 . . . . . . . . 5764 1 911 . 1 1 81 81 ASP HB3 H 1 2.660 0.02 . 1 . . . . . . . . 5764 1 912 . 1 1 81 81 ASP HB2 H 1 2.380 0.02 . 1 . . . . . . . . 5764 1 913 . 1 1 82 82 ALA H H 1 6.719 0.02 . 1 . . . . . . . . 5764 1 914 . 1 1 82 82 ALA N N 15 120.993 0.07 . 1 . . . . . . . . 5764 1 915 . 1 1 82 82 ALA CA C 13 54.360 0.08 . 1 . . . . . . . . 5764 1 916 . 1 1 82 82 ALA HA H 1 3.280 0.02 . 1 . . . . . . . . 5764 1 917 . 1 1 82 82 ALA C C 13 179.037 0.08 . 1 . . . . . . . . 5764 1 918 . 1 1 82 82 ALA CB C 13 17.867 0.08 . 1 . . . . . . . . 5764 1 919 . 1 1 82 82 ALA HB1 H 1 1.330 0.02 . 1 . . . . . . . . 5764 1 920 . 1 1 82 82 ALA HB2 H 1 1.330 0.02 . 1 . . . . . . . . 5764 1 921 . 1 1 82 82 ALA HB3 H 1 1.330 0.02 . 1 . . . . . . . . 5764 1 922 . 1 1 83 83 LEU H H 1 7.856 0.02 . 1 . . . . . . . . 5764 1 923 . 1 1 83 83 LEU N N 15 115.995 0.07 . 1 . . . . . . . . 5764 1 924 . 1 1 83 83 LEU CA C 13 57.999 0.08 . 1 . . . . . . . . 5764 1 925 . 1 1 83 83 LEU HA H 1 3.909 0.02 . 1 . . . . . . . . 5764 1 926 . 1 1 83 83 LEU C C 13 179.745 0.08 . 1 . . . . . . . . 5764 1 927 . 1 1 83 83 LEU CB C 13 41.354 0.08 . 1 . . . . . . . . 5764 1 928 . 1 1 83 83 LEU HB3 H 1 1.740 0.02 . 1 . . . . . . . . 5764 1 929 . 1 1 83 83 LEU CG C 13 27.080 0.08 . 1 . . . . . . . . 5764 1 930 . 1 1 83 83 LEU CD1 C 13 23.140 0.08 . 2 . . . . . . . . 5764 1 931 . 1 1 83 83 LEU CD2 C 13 25.180 0.08 . 2 . . . . . . . . 5764 1 932 . 1 1 83 83 LEU HG H 1 1.710 0.02 . 1 . . . . . . . . 5764 1 933 . 1 1 83 83 LEU HB2 H 1 1.430 0.02 . 1 . . . . . . . . 5764 1 934 . 1 1 83 83 LEU HD11 H 1 0.850 0.02 . 1 . . . . . . . . 5764 1 935 . 1 1 83 83 LEU HD12 H 1 0.850 0.02 . 1 . . . . . . . . 5764 1 936 . 1 1 83 83 LEU HD13 H 1 0.850 0.02 . 1 . . . . . . . . 5764 1 937 . 1 1 83 83 LEU HD21 H 1 0.850 0.02 . 1 . . . . . . . . 5764 1 938 . 1 1 83 83 LEU HD22 H 1 0.850 0.02 . 1 . . . . . . . . 5764 1 939 . 1 1 83 83 LEU HD23 H 1 0.850 0.02 . 1 . . . . . . . . 5764 1 940 . 1 1 84 84 LYS H H 1 7.419 0.02 . 1 . . . . . . . . 5764 1 941 . 1 1 84 84 LYS N N 15 120.405 0.07 . 1 . . . . . . . . 5764 1 942 . 1 1 84 84 LYS CA C 13 59.617 0.08 . 1 . . . . . . . . 5764 1 943 . 1 1 84 84 LYS HA H 1 3.897 0.02 . 1 . . . . . . . . 5764 1 944 . 1 1 84 84 LYS C C 13 178.252 0.08 . 1 . . . . . . . . 5764 1 945 . 1 1 84 84 LYS CB C 13 32.851 0.08 . 1 . . . . . . . . 5764 1 946 . 1 1 84 84 LYS HB3 H 1 1.940 0.02 . 2 . . . . . . . . 5764 1 947 . 1 1 84 84 LYS CG C 13 25.240 0.08 . 1 . . . . . . . . 5764 1 948 . 1 1 84 84 LYS HG3 H 1 1.640 0.02 . 1 . . . . . . . . 5764 1 949 . 1 1 84 84 LYS CD C 13 29.510 0.08 . 1 . . . . . . . . 5764 1 950 . 1 1 84 84 LYS HD3 H 1 1.510 0.02 . 1 . . . . . . . . 5764 1 951 . 1 1 84 84 LYS CE C 13 42.350 0.08 . 1 . . . . . . . . 5764 1 952 . 1 1 84 84 LYS HE3 H 1 3.070 0.02 . 1 . . . . . . . . 5764 1 953 . 1 1 84 84 LYS HB2 H 1 1.900 0.02 . 2 . . . . . . . . 5764 1 954 . 1 1 84 84 LYS HG2 H 1 1.640 0.02 . 1 . . . . . . . . 5764 1 955 . 1 1 84 84 LYS HD2 H 1 1.510 0.02 . 1 . . . . . . . . 5764 1 956 . 1 1 84 84 LYS HE2 H 1 3.070 0.02 . 1 . . . . . . . . 5764 1 957 . 1 1 85 85 ALA H H 1 7.548 0.02 . 1 . . . . . . . . 5764 1 958 . 1 1 85 85 ALA N N 15 122.203 0.07 . 1 . . . . . . . . 5764 1 959 . 1 1 85 85 ALA CA C 13 54.532 0.08 . 1 . . . . . . . . 5764 1 960 . 1 1 85 85 ALA HA H 1 2.371 0.02 . 1 . . . . . . . . 5764 1 961 . 1 1 85 85 ALA C C 13 178.884 0.08 . 1 . . . . . . . . 5764 1 962 . 1 1 85 85 ALA CB C 13 19.898 0.08 . 1 . . . . . . . . 5764 1 963 . 1 1 85 85 ALA HB1 H 1 1.120 0.02 . 1 . . . . . . . . 5764 1 964 . 1 1 85 85 ALA HB2 H 1 1.120 0.02 . 1 . . . . . . . . 5764 1 965 . 1 1 85 85 ALA HB3 H 1 1.120 0.02 . 1 . . . . . . . . 5764 1 966 . 1 1 86 86 MET H H 1 8.118 0.02 . 1 . . . . . . . . 5764 1 967 . 1 1 86 86 MET N N 15 116.104 0.07 . 1 . . . . . . . . 5764 1 968 . 1 1 86 86 MET CA C 13 59.617 0.08 . 1 . . . . . . . . 5764 1 969 . 1 1 86 86 MET HA H 1 3.840 0.02 . 1 . . . . . . . . 5764 1 970 . 1 1 86 86 MET C C 13 177.176 0.08 . 1 . . . . . . . . 5764 1 971 . 1 1 86 86 MET CB C 13 33.135 0.08 . 1 . . . . . . . . 5764 1 972 . 1 1 86 86 MET HB3 H 1 2.210 0.02 . 1 . . . . . . . . 5764 1 973 . 1 1 86 86 MET CG C 13 31.690 0.08 . 1 . . . . . . . . 5764 1 974 . 1 1 86 86 MET HG3 H 1 2.190 0.02 . 1 . . . . . . . . 5764 1 975 . 1 1 86 86 MET CE C 13 17.460 0.08 . 1 . . . . . . . . 5764 1 976 . 1 1 86 86 MET HB2 H 1 2.210 0.02 . 1 . . . . . . . . 5764 1 977 . 1 1 86 86 MET HG2 H 1 2.440 0.02 . 1 . . . . . . . . 5764 1 978 . 1 1 86 86 MET HE1 H 1 2.110 0.02 . 1 . . . . . . . . 5764 1 979 . 1 1 86 86 MET HE2 H 1 2.110 0.02 . 1 . . . . . . . . 5764 1 980 . 1 1 86 86 MET HE3 H 1 2.110 0.02 . 1 . . . . . . . . 5764 1 981 . 1 1 87 87 LYS H H 1 7.866 0.02 . 1 . . . . . . . . 5764 1 982 . 1 1 87 87 LYS N N 15 117.814 0.07 . 1 . . . . . . . . 5764 1 983 . 1 1 87 87 LYS CA C 13 58.820 0.08 . 1 . . . . . . . . 5764 1 984 . 1 1 87 87 LYS HA H 1 4.029 0.02 . 1 . . . . . . . . 5764 1 985 . 1 1 87 87 LYS C C 13 178.806 0.08 . 1 . . . . . . . . 5764 1 986 . 1 1 87 87 LYS CB C 13 32.650 0.08 . 1 . . . . . . . . 5764 1 987 . 1 1 87 87 LYS HB3 H 1 1.910 0.02 . 1 . . . . . . . . 5764 1 988 . 1 1 87 87 LYS CG C 13 24.940 0.08 . 1 . . . . . . . . 5764 1 989 . 1 1 87 87 LYS HG3 H 1 1.490 0.02 . 2 . . . . . . . . 5764 1 990 . 1 1 87 87 LYS CD C 13 29.280 0.08 . 1 . . . . . . . . 5764 1 991 . 1 1 87 87 LYS HD3 H 1 1.680 0.02 . 1 . . . . . . . . 5764 1 992 . 1 1 87 87 LYS CE C 13 42.110 0.08 . 1 . . . . . . . . 5764 1 993 . 1 1 87 87 LYS HE3 H 1 2.940 0.02 . 1 . . . . . . . . 5764 1 994 . 1 1 87 87 LYS HB2 H 1 1.910 0.02 . 1 . . . . . . . . 5764 1 995 . 1 1 87 87 LYS HG2 H 1 1.440 0.02 . 2 . . . . . . . . 5764 1 996 . 1 1 87 87 LYS HD2 H 1 1.680 0.02 . 1 . . . . . . . . 5764 1 997 . 1 1 87 87 LYS HE2 H 1 2.940 0.02 . 1 . . . . . . . . 5764 1 998 . 1 1 88 88 GLN H H 1 7.709 0.02 . 1 . . . . . . . . 5764 1 999 . 1 1 88 88 GLN N N 15 116.396 0.07 . 1 . . . . . . . . 5764 1 1000 . 1 1 88 88 GLN CA C 13 58.173 0.08 . 1 . . . . . . . . 5764 1 1001 . 1 1 88 88 GLN HA H 1 3.991 0.02 . 1 . . . . . . . . 5764 1 1002 . 1 1 88 88 GLN C C 13 177.554 0.08 . 1 . . . . . . . . 5764 1 1003 . 1 1 88 88 GLN CB C 13 29.011 0.08 . 1 . . . . . . . . 5764 1 1004 . 1 1 88 88 GLN HB3 H 1 1.950 0.02 . 2 . . . . . . . . 5764 1 1005 . 1 1 88 88 GLN CG C 13 33.250 0.08 . 1 . . . . . . . . 5764 1 1006 . 1 1 88 88 GLN HG3 H 1 1.950 0.02 . 2 . . . . . . . . 5764 1 1007 . 1 1 88 88 GLN NE2 N 15 112.048 0.07 . 1 . . . . . . . . 5764 1 1008 . 1 1 88 88 GLN HE22 H 1 6.917 0.02 . 2 . . . . . . . . 5764 1 1009 . 1 1 88 88 GLN HE21 H 1 6.976 0.02 . 2 . . . . . . . . 5764 1 1010 . 1 1 88 88 GLN HB2 H 1 1.560 0.02 . 2 . . . . . . . . 5764 1 1011 . 1 1 88 88 GLN HG2 H 1 1.890 0.02 . 2 . . . . . . . . 5764 1 1012 . 1 1 89 89 TYR H H 1 7.751 0.02 . 1 . . . . . . . . 5764 1 1013 . 1 1 89 89 TYR N N 15 112.365 0.07 . 1 . . . . . . . . 5764 1 1014 . 1 1 89 89 TYR CA C 13 58.074 0.08 . 1 . . . . . . . . 5764 1 1015 . 1 1 89 89 TYR HA H 1 5.023 0.02 . 1 . . . . . . . . 5764 1 1016 . 1 1 89 89 TYR C C 13 177.021 0.08 . 1 . . . . . . . . 5764 1 1017 . 1 1 89 89 TYR CB C 13 40.208 0.08 . 1 . . . . . . . . 5764 1 1018 . 1 1 89 89 TYR HB3 H 1 3.490 0.02 . 1 . . . . . . . . 5764 1 1019 . 1 1 89 89 TYR CD1 C 13 131.250 0.08 . 1 . . . . . . . . 5764 1 1020 . 1 1 89 89 TYR HD1 H 1 6.864 0.02 . 1 . . . . . . . . 5764 1 1021 . 1 1 89 89 TYR CD2 C 13 131.250 0.08 . 1 . . . . . . . . 5764 1 1022 . 1 1 89 89 TYR HD2 H 1 6.864 0.02 . 1 . . . . . . . . 5764 1 1023 . 1 1 89 89 TYR CE1 C 13 118.100 0.08 . 1 . . . . . . . . 5764 1 1024 . 1 1 89 89 TYR HE1 H 1 6.790 0.02 . 1 . . . . . . . . 5764 1 1025 . 1 1 89 89 TYR CE2 C 13 118.100 0.08 . 1 . . . . . . . . 5764 1 1026 . 1 1 89 89 TYR HE2 H 1 6.790 0.02 . 1 . . . . . . . . 5764 1 1027 . 1 1 89 89 TYR HB2 H 1 2.650 0.02 . 1 . . . . . . . . 5764 1 1028 . 1 1 90 90 ASN H H 1 8.440 0.02 . 1 . . . . . . . . 5764 1 1029 . 1 1 90 90 ASN N N 15 119.927 0.07 . 1 . . . . . . . . 5764 1 1030 . 1 1 90 90 ASN CA C 13 56.355 0.08 . 1 . . . . . . . . 5764 1 1031 . 1 1 90 90 ASN HA H 1 4.480 0.02 . 1 . . . . . . . . 5764 1 1032 . 1 1 90 90 ASN C C 13 177.314 0.08 . 1 . . . . . . . . 5764 1 1033 . 1 1 90 90 ASN CB C 13 38.254 0.08 . 1 . . . . . . . . 5764 1 1034 . 1 1 90 90 ASN HB3 H 1 3.040 0.02 . 1 . . . . . . . . 5764 1 1035 . 1 1 90 90 ASN ND2 N 15 113.105 0.07 . 1 . . . . . . . . 5764 1 1036 . 1 1 90 90 ASN HD22 H 1 6.998 0.02 . 2 . . . . . . . . 5764 1 1037 . 1 1 90 90 ASN HD21 H 1 7.771 0.02 . 2 . . . . . . . . 5764 1 1038 . 1 1 90 90 ASN HB2 H 1 3.040 0.02 . 1 . . . . . . . . 5764 1 1039 . 1 1 91 91 GLY H H 1 9.178 0.02 . 1 . . . . . . . . 5764 1 1040 . 1 1 91 91 GLY N N 15 116.952 0.07 . 1 . . . . . . . . 5764 1 1041 . 1 1 91 91 GLY CA C 13 45.821 0.08 . 1 . . . . . . . . 5764 1 1042 . 1 1 91 91 GLY HA3 H 1 4.249 0.02 . 1 . . . . . . . . 5764 1 1043 . 1 1 91 91 GLY C C 13 173.543 0.08 . 1 . . . . . . . . 5764 1 1044 . 1 1 91 91 GLY HA2 H 1 3.683 0.02 . 1 . . . . . . . . 5764 1 1045 . 1 1 92 92 VAL H H 1 8.129 0.02 . 1 . . . . . . . . 5764 1 1046 . 1 1 92 92 VAL N N 15 124.303 0.07 . 1 . . . . . . . . 5764 1 1047 . 1 1 92 92 VAL CA C 13 60.740 0.08 . 1 . . . . . . . . 5764 1 1048 . 1 1 92 92 VAL HA H 1 4.304 0.02 . 1 . . . . . . . . 5764 1 1049 . 1 1 92 92 VAL CB C 13 33.020 0.08 . 1 . . . . . . . . 5764 1 1050 . 1 1 92 92 VAL HB H 1 2.360 0.02 . 1 . . . . . . . . 5764 1 1051 . 1 1 92 92 VAL CG1 C 13 20.190 0.08 . 2 . . . . . . . . 5764 1 1052 . 1 1 92 92 VAL CG2 C 13 23.220 0.08 . 2 . . . . . . . . 5764 1 1053 . 1 1 92 92 VAL HG21 H 1 1.080 0.02 . 2 . . . . . . . . 5764 1 1054 . 1 1 92 92 VAL HG22 H 1 1.080 0.02 . 2 . . . . . . . . 5764 1 1055 . 1 1 92 92 VAL HG23 H 1 1.080 0.02 . 2 . . . . . . . . 5764 1 1056 . 1 1 92 92 VAL HG11 H 1 1.060 0.02 . 2 . . . . . . . . 5764 1 1057 . 1 1 92 92 VAL HG12 H 1 1.060 0.02 . 2 . . . . . . . . 5764 1 1058 . 1 1 92 92 VAL HG13 H 1 1.060 0.02 . 2 . . . . . . . . 5764 1 1059 . 1 1 93 93 PRO CA C 13 62.316 0.08 . 1 . . . . . . . . 5764 1 1060 . 1 1 93 93 PRO HA H 1 4.293 0.02 . 1 . . . . . . . . 5764 1 1061 . 1 1 93 93 PRO C C 13 175.494 0.08 . 1 . . . . . . . . 5764 1 1062 . 1 1 93 93 PRO CB C 13 32.460 0.08 . 1 . . . . . . . . 5764 1 1063 . 1 1 93 93 PRO HB3 H 1 2.110 0.02 . 1 . . . . . . . . 5764 1 1064 . 1 1 93 93 PRO CG C 13 28.170 0.08 . 1 . . . . . . . . 5764 1 1065 . 1 1 93 93 PRO HG3 H 1 2.150 0.02 . 2 . . . . . . . . 5764 1 1066 . 1 1 93 93 PRO CD C 13 51.470 0.08 . 1 . . . . . . . . 5764 1 1067 . 1 1 93 93 PRO HD3 H 1 4.010 0.02 . 2 . . . . . . . . 5764 1 1068 . 1 1 93 93 PRO HB2 H 1 2.110 0.02 . 1 . . . . . . . . 5764 1 1069 . 1 1 93 93 PRO HG2 H 1 1.800 0.02 . 2 . . . . . . . . 5764 1 1070 . 1 1 93 93 PRO HD2 H 1 3.730 0.02 . 2 . . . . . . . . 5764 1 1071 . 1 1 94 94 LEU H H 1 8.127 0.02 . 1 . . . . . . . . 5764 1 1072 . 1 1 94 94 LEU N N 15 125.923 0.07 . 1 . . . . . . . . 5764 1 1073 . 1 1 94 94 LEU CA C 13 54.248 0.08 . 1 . . . . . . . . 5764 1 1074 . 1 1 94 94 LEU HA H 1 4.513 0.02 . 1 . . . . . . . . 5764 1 1075 . 1 1 94 94 LEU C C 13 176.617 0.08 . 1 . . . . . . . . 5764 1 1076 . 1 1 94 94 LEU CB C 13 43.319 0.08 . 1 . . . . . . . . 5764 1 1077 . 1 1 94 94 LEU HB3 H 1 1.360 0.02 . 2 . . . . . . . . 5764 1 1078 . 1 1 94 94 LEU CG C 13 27.560 0.08 . 1 . . . . . . . . 5764 1 1079 . 1 1 94 94 LEU CD1 C 13 23.640 0.08 . 2 . . . . . . . . 5764 1 1080 . 1 1 94 94 LEU CD2 C 13 25.300 0.08 . 2 . . . . . . . . 5764 1 1081 . 1 1 94 94 LEU HG H 1 1.410 0.02 . 1 . . . . . . . . 5764 1 1082 . 1 1 94 94 LEU HB2 H 1 1.830 0.02 . 2 . . . . . . . . 5764 1 1083 . 1 1 94 94 LEU HD11 H 1 0.860 0.02 . 2 . . . . . . . . 5764 1 1084 . 1 1 94 94 LEU HD12 H 1 0.860 0.02 . 2 . . . . . . . . 5764 1 1085 . 1 1 94 94 LEU HD13 H 1 0.860 0.02 . 2 . . . . . . . . 5764 1 1086 . 1 1 94 94 LEU HD21 H 1 0.870 0.02 . 2 . . . . . . . . 5764 1 1087 . 1 1 94 94 LEU HD22 H 1 0.870 0.02 . 2 . . . . . . . . 5764 1 1088 . 1 1 94 94 LEU HD23 H 1 0.870 0.02 . 2 . . . . . . . . 5764 1 1089 . 1 1 95 95 ASP H H 1 9.549 0.02 . 1 . . . . . . . . 5764 1 1090 . 1 1 95 95 ASP N N 15 129.457 0.07 . 1 . . . . . . . . 5764 1 1091 . 1 1 95 95 ASP CA C 13 55.409 0.08 . 1 . . . . . . . . 5764 1 1092 . 1 1 95 95 ASP HA H 1 4.217 0.02 . 1 . . . . . . . . 5764 1 1093 . 1 1 95 95 ASP C C 13 175.941 0.08 . 1 . . . . . . . . 5764 1 1094 . 1 1 95 95 ASP CB C 13 39.224 0.08 . 1 . . . . . . . . 5764 1 1095 . 1 1 95 95 ASP HB3 H 1 2.940 0.02 . 1 . . . . . . . . 5764 1 1096 . 1 1 95 95 ASP HB2 H 1 2.480 0.02 . 1 . . . . . . . . 5764 1 1097 . 1 1 96 96 GLY H H 1 8.368 0.02 . 1 . . . . . . . . 5764 1 1098 . 1 1 96 96 GLY N N 15 101.111 0.07 . 1 . . . . . . . . 5764 1 1099 . 1 1 96 96 GLY CA C 13 45.386 0.08 . 1 . . . . . . . . 5764 1 1100 . 1 1 96 96 GLY HA3 H 1 4.243 0.02 . 1 . . . . . . . . 5764 1 1101 . 1 1 96 96 GLY C C 13 174.209 0.08 . 1 . . . . . . . . 5764 1 1102 . 1 1 96 96 GLY HA2 H 1 3.601 0.02 . 1 . . . . . . . . 5764 1 1103 . 1 1 97 97 ARG H H 1 7.564 0.02 . 1 . . . . . . . . 5764 1 1104 . 1 1 97 97 ARG N N 15 120.977 0.07 . 1 . . . . . . . . 5764 1 1105 . 1 1 97 97 ARG CA C 13 53.020 0.08 . 1 . . . . . . . . 5764 1 1106 . 1 1 97 97 ARG HA H 1 4.991 0.02 . 1 . . . . . . . . 5764 1 1107 . 1 1 97 97 ARG CB C 13 32.870 0.08 . 1 . . . . . . . . 5764 1 1108 . 1 1 97 97 ARG HB3 H 1 1.960 0.02 . 2 . . . . . . . . 5764 1 1109 . 1 1 97 97 ARG CG C 13 27.460 0.08 . 1 . . . . . . . . 5764 1 1110 . 1 1 97 97 ARG HG3 H 1 1.570 0.02 . 2 . . . . . . . . 5764 1 1111 . 1 1 97 97 ARG CD C 13 43.420 0.08 . 1 . . . . . . . . 5764 1 1112 . 1 1 97 97 ARG HD3 H 1 3.150 0.02 . 2 . . . . . . . . 5764 1 1113 . 1 1 97 97 ARG NE N 15 83.770 0.07 . 1 . . . . . . . . 5764 1 1114 . 1 1 97 97 ARG HE H 1 6.220 0.02 . 1 . . . . . . . . 5764 1 1115 . 1 1 97 97 ARG HB2 H 1 1.830 0.02 . 2 . . . . . . . . 5764 1 1116 . 1 1 97 97 ARG HG2 H 1 1.530 0.02 . 2 . . . . . . . . 5764 1 1117 . 1 1 97 97 ARG HD2 H 1 2.950 0.02 . 2 . . . . . . . . 5764 1 1118 . 1 1 98 98 PRO CA C 13 63.044 0.08 . 1 . . . . . . . . 5764 1 1119 . 1 1 98 98 PRO HA H 1 3.941 0.02 . 1 . . . . . . . . 5764 1 1120 . 1 1 98 98 PRO C C 13 176.093 0.08 . 1 . . . . . . . . 5764 1 1121 . 1 1 98 98 PRO CB C 13 31.753 0.08 . 1 . . . . . . . . 5764 1 1122 . 1 1 98 98 PRO HB3 H 1 2.110 0.02 . 1 . . . . . . . . 5764 1 1123 . 1 1 98 98 PRO CG C 13 27.110 0.08 . 1 . . . . . . . . 5764 1 1124 . 1 1 98 98 PRO HG2 H 1 1.860 0.02 . 1 . . . . . . . . 5764 1 1125 . 1 1 98 98 PRO CD C 13 51.410 0.08 . 1 . . . . . . . . 5764 1 1126 . 1 1 98 98 PRO HD2 H 1 3.690 0.02 . 1 . . . . . . . . 5764 1 1127 . 1 1 98 98 PRO HB2 H 1 2.110 0.02 . 1 . . . . . . . . 5764 1 1128 . 1 1 99 99 MET H H 1 8.334 0.02 . 1 . . . . . . . . 5764 1 1129 . 1 1 99 99 MET N N 15 126.899 0.07 . 1 . . . . . . . . 5764 1 1130 . 1 1 99 99 MET CA C 13 57.525 0.08 . 1 . . . . . . . . 5764 1 1131 . 1 1 99 99 MET HA H 1 4.299 0.02 . 1 . . . . . . . . 5764 1 1132 . 1 1 99 99 MET C C 13 175.832 0.08 . 1 . . . . . . . . 5764 1 1133 . 1 1 99 99 MET CB C 13 36.148 0.08 . 1 . . . . . . . . 5764 1 1134 . 1 1 99 99 MET HB3 H 1 1.900 0.02 . 2 . . . . . . . . 5764 1 1135 . 1 1 99 99 MET CG C 13 33.290 0.08 . 1 . . . . . . . . 5764 1 1136 . 1 1 99 99 MET HG2 H 1 2.670 0.02 . 2 . . . . . . . . 5764 1 1137 . 1 1 99 99 MET CE C 13 17.430 0.08 . 1 . . . . . . . . 5764 1 1138 . 1 1 99 99 MET HB2 H 1 1.840 0.02 . 2 . . . . . . . . 5764 1 1139 . 1 1 99 99 MET HE1 H 1 1.860 0.02 . 1 . . . . . . . . 5764 1 1140 . 1 1 99 99 MET HE2 H 1 1.860 0.02 . 1 . . . . . . . . 5764 1 1141 . 1 1 99 99 MET HE3 H 1 1.860 0.02 . 1 . . . . . . . . 5764 1 1142 . 1 1 100 100 ASN H H 1 8.051 0.02 . 1 . . . . . . . . 5764 1 1143 . 1 1 100 100 ASN N N 15 121.895 0.07 . 1 . . . . . . . . 5764 1 1144 . 1 1 100 100 ASN CA C 13 52.296 0.08 . 1 . . . . . . . . 5764 1 1145 . 1 1 100 100 ASN HA H 1 5.268 0.02 . 1 . . . . . . . . 5764 1 1146 . 1 1 100 100 ASN C C 13 174.044 0.08 . 1 . . . . . . . . 5764 1 1147 . 1 1 100 100 ASN CB C 13 39.865 0.08 . 1 . . . . . . . . 5764 1 1148 . 1 1 100 100 ASN HB3 H 1 2.890 0.02 . 1 . . . . . . . . 5764 1 1149 . 1 1 100 100 ASN ND2 N 15 110.750 0.07 . 1 . . . . . . . . 5764 1 1150 . 1 1 100 100 ASN HD22 H 1 6.835 0.02 . 2 . . . . . . . . 5764 1 1151 . 1 1 100 100 ASN HD21 H 1 7.260 0.02 . 2 . . . . . . . . 5764 1 1152 . 1 1 100 100 ASN HB2 H 1 2.660 0.02 . 1 . . . . . . . . 5764 1 1153 . 1 1 101 101 ILE H H 1 8.594 0.02 . 1 . . . . . . . . 5764 1 1154 . 1 1 101 101 ILE N N 15 124.305 0.07 . 1 . . . . . . . . 5764 1 1155 . 1 1 101 101 ILE CA C 13 61.211 0.08 . 1 . . . . . . . . 5764 1 1156 . 1 1 101 101 ILE HA H 1 4.865 0.02 . 1 . . . . . . . . 5764 1 1157 . 1 1 101 101 ILE C C 13 173.510 0.08 . 1 . . . . . . . . 5764 1 1158 . 1 1 101 101 ILE CB C 13 40.985 0.08 . 1 . . . . . . . . 5764 1 1159 . 1 1 101 101 ILE HB H 1 1.550 0.02 . 1 . . . . . . . . 5764 1 1160 . 1 1 101 101 ILE CG2 C 13 20.110 0.08 . 1 . . . . . . . . 5764 1 1161 . 1 1 101 101 ILE CG1 C 13 28.150 0.08 . 1 . . . . . . . . 5764 1 1162 . 1 1 101 101 ILE HG12 H 1 1.790 0.02 . 2 . . . . . . . . 5764 1 1163 . 1 1 101 101 ILE CD1 C 13 14.360 0.08 . 1 . . . . . . . . 5764 1 1164 . 1 1 101 101 ILE HD11 H 1 1.100 0.02 . 1 . . . . . . . . 5764 1 1165 . 1 1 101 101 ILE HD12 H 1 1.100 0.02 . 1 . . . . . . . . 5764 1 1166 . 1 1 101 101 ILE HD13 H 1 1.100 0.02 . 1 . . . . . . . . 5764 1 1167 . 1 1 101 101 ILE HG21 H 1 0.890 0.02 . 1 . . . . . . . . 5764 1 1168 . 1 1 101 101 ILE HG22 H 1 0.890 0.02 . 1 . . . . . . . . 5764 1 1169 . 1 1 101 101 ILE HG23 H 1 0.890 0.02 . 1 . . . . . . . . 5764 1 1170 . 1 1 102 102 GLN H H 1 8.527 0.02 . 1 . . . . . . . . 5764 1 1171 . 1 1 102 102 GLN N N 15 124.000 0.07 . 1 . . . . . . . . 5764 1 1172 . 1 1 102 102 GLN CA C 13 53.796 0.08 . 1 . . . . . . . . 5764 1 1173 . 1 1 102 102 GLN HA H 1 4.771 0.02 . 1 . . . . . . . . 5764 1 1174 . 1 1 102 102 GLN C C 13 173.739 0.08 . 1 . . . . . . . . 5764 1 1175 . 1 1 102 102 GLN CB C 13 34.057 0.08 . 1 . . . . . . . . 5764 1 1176 . 1 1 102 102 GLN HB3 H 1 1.760 0.02 . 2 . . . . . . . . 5764 1 1177 . 1 1 102 102 GLN HG2 H 1 2.330 0.02 . 2 . . . . . . . . 5764 1 1178 . 1 1 102 102 GLN NE2 N 15 112.510 0.07 . 1 . . . . . . . . 5764 1 1179 . 1 1 102 102 GLN HE22 H 1 6.860 0.02 . 2 . . . . . . . . 5764 1 1180 . 1 1 102 102 GLN HE21 H 1 7.583 0.02 . 2 . . . . . . . . 5764 1 1181 . 1 1 102 102 GLN HB2 H 1 1.370 0.02 . 2 . . . . . . . . 5764 1 1182 . 1 1 103 103 LEU H H 1 8.640 0.02 . 1 . . . . . . . . 5764 1 1183 . 1 1 103 103 LEU N N 15 125.557 0.07 . 1 . . . . . . . . 5764 1 1184 . 1 1 103 103 LEU CA C 13 54.786 0.08 . 1 . . . . . . . . 5764 1 1185 . 1 1 103 103 LEU HA H 1 4.742 0.02 . 1 . . . . . . . . 5764 1 1186 . 1 1 103 103 LEU CB C 13 43.000 0.08 . 1 . . . . . . . . 5764 1 1187 . 1 1 103 103 LEU HB3 H 1 1.730 0.02 . 2 . . . . . . . . 5764 1 1188 . 1 1 103 103 LEU CG C 13 27.140 0.08 . 1 . . . . . . . . 5764 1 1189 . 1 1 103 103 LEU CD1 C 13 26.050 0.08 . 1 . . . . . . . . 5764 1 1190 . 1 1 103 103 LEU HG H 1 1.490 0.02 . 1 . . . . . . . . 5764 1 1191 . 1 1 103 103 LEU HB2 H 1 1.330 0.02 . 2 . . . . . . . . 5764 1 1192 . 1 1 103 103 LEU HD11 H 1 0.820 0.02 . 1 . . . . . . . . 5764 1 1193 . 1 1 103 103 LEU HD12 H 1 0.820 0.02 . 1 . . . . . . . . 5764 1 1194 . 1 1 103 103 LEU HD13 H 1 0.820 0.02 . 1 . . . . . . . . 5764 1 1195 . 1 1 103 103 LEU HD21 H 1 0.820 0.02 . 1 . . . . . . . . 5764 1 1196 . 1 1 103 103 LEU HD22 H 1 0.820 0.02 . 1 . . . . . . . . 5764 1 1197 . 1 1 103 103 LEU HD23 H 1 0.820 0.02 . 1 . . . . . . . . 5764 1 1198 . 1 1 104 104 VAL H H 1 8.757 0.02 . 1 . . . . . . . . 5764 1 1199 . 1 1 104 104 VAL N N 15 126.839 0.07 . 1 . . . . . . . . 5764 1 1200 . 1 1 104 104 VAL CA C 13 52.472 0.08 . 1 . . . . . . . . 5764 1 1201 . 1 1 104 104 VAL HA H 1 4.350 0.02 . 1 . . . . . . . . 5764 1 1202 . 1 1 104 104 VAL CB C 13 26.272 0.08 . 1 . . . . . . . . 5764 1 1203 . 1 1 104 104 VAL HB H 1 1.920 0.02 . 1 . . . . . . . . 5764 1 1204 . 1 1 104 104 VAL CG1 C 13 20.880 0.08 . 2 . . . . . . . . 5764 1 1205 . 1 1 104 104 VAL CG2 C 13 24.020 0.08 . 2 . . . . . . . . 5764 1 1206 . 1 1 104 104 VAL HG21 H 1 0.820 0.02 . 1 . . . . . . . . 5764 1 1207 . 1 1 104 104 VAL HG22 H 1 0.820 0.02 . 1 . . . . . . . . 5764 1 1208 . 1 1 104 104 VAL HG23 H 1 0.820 0.02 . 1 . . . . . . . . 5764 1 1209 . 1 1 104 104 VAL HG11 H 1 0.820 0.02 . 1 . . . . . . . . 5764 1 1210 . 1 1 104 104 VAL HG12 H 1 0.820 0.02 . 1 . . . . . . . . 5764 1 1211 . 1 1 104 104 VAL HG13 H 1 0.820 0.02 . 1 . . . . . . . . 5764 1 1212 . 1 1 105 105 THR H H 1 8.477 0.02 . 1 . . . . . . . . 5764 1 1213 . 1 1 105 105 THR N N 15 117.823 0.07 . 1 . . . . . . . . 5764 1 1214 . 1 1 105 105 THR CA C 13 61.911 0.08 . 1 . . . . . . . . 5764 1 1215 . 1 1 105 105 THR HA H 1 4.419 0.02 . 1 . . . . . . . . 5764 1 1216 . 1 1 105 105 THR C C 13 173.815 0.08 . 1 . . . . . . . . 5764 1 1217 . 1 1 105 105 THR CB C 13 70.013 0.08 . 1 . . . . . . . . 5764 1 1218 . 1 1 105 105 THR HB H 1 4.270 0.02 . 1 . . . . . . . . 5764 1 1219 . 1 1 105 105 THR CG2 C 13 21.800 0.08 . 1 . . . . . . . . 5764 1 1220 . 1 1 105 105 THR HG21 H 1 1.170 0.02 . 1 . . . . . . . . 5764 1 1221 . 1 1 105 105 THR HG22 H 1 1.170 0.02 . 1 . . . . . . . . 5764 1 1222 . 1 1 105 105 THR HG23 H 1 1.170 0.02 . 1 . . . . . . . . 5764 1 1223 . 1 1 106 106 SER H H 1 7.857 0.02 . 1 . . . . . . . . 5764 1 1224 . 1 1 106 106 SER N N 15 123.182 0.07 . 1 . . . . . . . . 5764 1 1225 . 1 1 106 106 SER CA C 13 60.080 0.08 . 1 . . . . . . . . 5764 1 1226 . 1 1 106 106 SER HA H 1 4.260 0.02 . 1 . . . . . . . . 5764 1 1227 . 1 1 106 106 SER CB C 13 64.820 0.08 . 1 . . . . . . . . 5764 1 1228 . 1 1 106 106 SER HB3 H 1 3.850 0.02 . 1 . . . . . . . . 5764 1 1229 . 1 1 106 106 SER HB2 H 1 3.850 0.02 . 1 . . . . . . . . 5764 1 stop_ save_