data_17702 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17702 _Entry.Title ; The protein complex for DNA replication ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-14 _Entry.Accession_date 2011-06-14 _Entry.Last_release_date 2012-12-17 _Entry.Original_release_date 2012-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Changdong LIU . . . 17702 2 Zhun WEI . . . 17702 3 Guang ZHU . . . 17702 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17702 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA replication' . 17702 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17702 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 363 17702 '15N chemical shifts' 125 17702 '1H chemical shifts' 771 17702 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-12-17 2011-06-14 original author . 17702 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LE8 'BMRB Entry Tracking System' 17702 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17702 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The protein complex for DNA replication' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Changdong LIU . . . 17702 1 2 Zhun WEI . . . 17702 1 3 Rentian WU . . . 17702 1 4 Chun LIANG . . . 17702 1 5 Guang ZHU . . . 17702 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17702 _Assembly.ID 1 _Assembly.Name 'protein complex for DNA replication' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 protein_comp1 1 $protein_comp1 A . yes native no no . . . 17702 1 2 protein_comp2 2 $protein_comp2 B . yes native no no . . . 17702 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein_comp1 _Entity.Sf_category entity _Entity.Sf_framecode protein_comp1 _Entity.Entry_ID 17702 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name protein_comp1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; APKASLRLGFSEYSRISNLI VLHLRKVEEEEDESALKRSE LVNWYLKEIESEIDSEEELI NKKRIIEKVIHRLTHYDHVL IELTQAGLKGSTEGSESYEE DPYLVVNPNYLLED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13304.011 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16396 . CBD . . . . . 100.00 114 100.00 100.00 4.54e-72 . . . . 17702 1 2 no BMRB 16796 . CBD . . . . . 100.00 114 100.00 100.00 4.54e-72 . . . . 17702 1 3 no PDB 2KLQ . "The Solution Structure Of Cbd Of Human Mcm6" . . . . . 100.00 114 100.00 100.00 4.54e-72 . . . . 17702 1 4 no PDB 2LE8 . "The Protein Complex For Dna Replication" . . . . . 100.00 114 100.00 100.00 4.54e-72 . . . . 17702 1 5 no DBJ BAA12699 . "HsMcm6 [Homo sapiens]" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 17702 1 6 no DBJ BAE01174 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 821 99.12 99.12 6.15e-67 . . . . 17702 1 7 no DBJ BAG35469 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 17702 1 8 no DBJ BAG61268 . "unnamed protein product [Homo sapiens]" . . . . . 53.51 440 98.36 98.36 9.64e-29 . . . . 17702 1 9 no GB AAB48165 . "homolog of S. pombe mis5 [Homo sapiens]" . . . . . 100.00 181 98.25 98.25 1.32e-68 . . . . 17702 1 10 no GB AAC50766 . "p105MCM [Homo sapiens]" . . . . . 100.00 821 98.25 98.25 5.67e-66 . . . . 17702 1 11 no GB AAH32374 . "Minichromosome maintenance complex component 6 [Homo sapiens]" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 17702 1 12 no GB AAI12449 . "Minichromosome maintenance complex component 6 [Bos taurus]" . . . . . 99.12 821 97.35 99.12 6.33e-65 . . . . 17702 1 13 no GB AAO26043 . "MCM6 minichromosome maintenance deficient 6 (MIS5 homolog, S. pombe) (S. cerevisiae) [Homo sapiens]" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 17702 1 14 no REF NP_001039699 . "DNA replication licensing factor MCM6 [Bos taurus]" . . . . . 99.12 821 97.35 99.12 6.33e-65 . . . . 17702 1 15 no REF NP_001247544 . "DNA replication licensing factor MCM6 [Macaca mulatta]" . . . . . 100.00 821 99.12 99.12 6.15e-67 . . . . 17702 1 16 no REF NP_001270984 . "uncharacterized protein LOC101925761 [Macaca fascicularis]" . . . . . 100.00 821 99.12 99.12 6.15e-67 . . . . 17702 1 17 no REF NP_005906 . "DNA replication licensing factor MCM6 [Homo sapiens]" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 17702 1 18 no REF XP_001154732 . "PREDICTED: DNA replication licensing factor MCM6 [Pan troglodytes]" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 17702 1 19 no SP Q14566 . "RecName: Full=DNA replication licensing factor MCM6; AltName: Full=p105MCM" . . . . . 100.00 821 99.12 99.12 7.37e-67 . . . . 17702 1 20 no SP Q2KIZ8 . "RecName: Full=DNA replication licensing factor MCM6" . . . . . 99.12 821 97.35 99.12 6.33e-65 . . . . 17702 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 5 ALA . 17702 1 2 6 PRO . 17702 1 3 7 LYS . 17702 1 4 8 ALA . 17702 1 5 9 SER . 17702 1 6 10 LEU . 17702 1 7 11 ARG . 17702 1 8 12 LEU . 17702 1 9 13 GLY . 17702 1 10 14 PHE . 17702 1 11 15 SER . 17702 1 12 16 GLU . 17702 1 13 17 TYR . 17702 1 14 18 SER . 17702 1 15 19 ARG . 17702 1 16 20 ILE . 17702 1 17 21 SER . 17702 1 18 22 ASN . 17702 1 19 23 LEU . 17702 1 20 24 ILE . 17702 1 21 25 VAL . 17702 1 22 26 LEU . 17702 1 23 27 HIS . 17702 1 24 28 LEU . 17702 1 25 29 ARG . 17702 1 26 30 LYS . 17702 1 27 31 VAL . 17702 1 28 32 GLU . 17702 1 29 33 GLU . 17702 1 30 34 GLU . 17702 1 31 35 GLU . 17702 1 32 36 ASP . 17702 1 33 37 GLU . 17702 1 34 38 SER . 17702 1 35 39 ALA . 17702 1 36 40 LEU . 17702 1 37 41 LYS . 17702 1 38 42 ARG . 17702 1 39 43 SER . 17702 1 40 44 GLU . 17702 1 41 45 LEU . 17702 1 42 46 VAL . 17702 1 43 47 ASN . 17702 1 44 48 TRP . 17702 1 45 49 TYR . 17702 1 46 50 LEU . 17702 1 47 51 LYS . 17702 1 48 52 GLU . 17702 1 49 53 ILE . 17702 1 50 54 GLU . 17702 1 51 55 SER . 17702 1 52 56 GLU . 17702 1 53 57 ILE . 17702 1 54 58 ASP . 17702 1 55 59 SER . 17702 1 56 60 GLU . 17702 1 57 61 GLU . 17702 1 58 62 GLU . 17702 1 59 63 LEU . 17702 1 60 64 ILE . 17702 1 61 65 ASN . 17702 1 62 66 LYS . 17702 1 63 67 LYS . 17702 1 64 68 ARG . 17702 1 65 69 ILE . 17702 1 66 70 ILE . 17702 1 67 71 GLU . 17702 1 68 72 LYS . 17702 1 69 73 VAL . 17702 1 70 74 ILE . 17702 1 71 75 HIS . 17702 1 72 76 ARG . 17702 1 73 77 LEU . 17702 1 74 78 THR . 17702 1 75 79 HIS . 17702 1 76 80 TYR . 17702 1 77 81 ASP . 17702 1 78 82 HIS . 17702 1 79 83 VAL . 17702 1 80 84 LEU . 17702 1 81 85 ILE . 17702 1 82 86 GLU . 17702 1 83 87 LEU . 17702 1 84 88 THR . 17702 1 85 89 GLN . 17702 1 86 90 ALA . 17702 1 87 91 GLY . 17702 1 88 92 LEU . 17702 1 89 93 LYS . 17702 1 90 94 GLY . 17702 1 91 95 SER . 17702 1 92 96 THR . 17702 1 93 97 GLU . 17702 1 94 98 GLY . 17702 1 95 99 SER . 17702 1 96 100 GLU . 17702 1 97 101 SER . 17702 1 98 102 TYR . 17702 1 99 103 GLU . 17702 1 100 104 GLU . 17702 1 101 105 ASP . 17702 1 102 106 PRO . 17702 1 103 107 TYR . 17702 1 104 108 LEU . 17702 1 105 109 VAL . 17702 1 106 110 VAL . 17702 1 107 111 ASN . 17702 1 108 112 PRO . 17702 1 109 113 ASN . 17702 1 110 114 TYR . 17702 1 111 115 LEU . 17702 1 112 116 LEU . 17702 1 113 117 GLU . 17702 1 114 118 ASP . 17702 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 . ALA 1 1 17702 1 . PRO 2 2 17702 1 . LYS 3 3 17702 1 . ALA 4 4 17702 1 . SER 5 5 17702 1 . LEU 6 6 17702 1 . ARG 7 7 17702 1 . LEU 8 8 17702 1 . GLY 9 9 17702 1 . PHE 10 10 17702 1 . SER 11 11 17702 1 . GLU 12 12 17702 1 . TYR 13 13 17702 1 . SER 14 14 17702 1 . ARG 15 15 17702 1 . ILE 16 16 17702 1 . SER 17 17 17702 1 . ASN 18 18 17702 1 . LEU 19 19 17702 1 . ILE 20 20 17702 1 . VAL 21 21 17702 1 . LEU 22 22 17702 1 . HIS 23 23 17702 1 . LEU 24 24 17702 1 . ARG 25 25 17702 1 . LYS 26 26 17702 1 . VAL 27 27 17702 1 . GLU 28 28 17702 1 . GLU 29 29 17702 1 . GLU 30 30 17702 1 . GLU 31 31 17702 1 . ASP 32 32 17702 1 . GLU 33 33 17702 1 . SER 34 34 17702 1 . ALA 35 35 17702 1 . LEU 36 36 17702 1 . LYS 37 37 17702 1 . ARG 38 38 17702 1 . SER 39 39 17702 1 . GLU 40 40 17702 1 . LEU 41 41 17702 1 . VAL 42 42 17702 1 . ASN 43 43 17702 1 . TRP 44 44 17702 1 . TYR 45 45 17702 1 . LEU 46 46 17702 1 . LYS 47 47 17702 1 . GLU 48 48 17702 1 . ILE 49 49 17702 1 . GLU 50 50 17702 1 . SER 51 51 17702 1 . GLU 52 52 17702 1 . ILE 53 53 17702 1 . ASP 54 54 17702 1 . SER 55 55 17702 1 . GLU 56 56 17702 1 . GLU 57 57 17702 1 . GLU 58 58 17702 1 . LEU 59 59 17702 1 . ILE 60 60 17702 1 . ASN 61 61 17702 1 . LYS 62 62 17702 1 . LYS 63 63 17702 1 . ARG 64 64 17702 1 . ILE 65 65 17702 1 . ILE 66 66 17702 1 . GLU 67 67 17702 1 . LYS 68 68 17702 1 . VAL 69 69 17702 1 . ILE 70 70 17702 1 . HIS 71 71 17702 1 . ARG 72 72 17702 1 . LEU 73 73 17702 1 . THR 74 74 17702 1 . HIS 75 75 17702 1 . TYR 76 76 17702 1 . ASP 77 77 17702 1 . HIS 78 78 17702 1 . VAL 79 79 17702 1 . LEU 80 80 17702 1 . ILE 81 81 17702 1 . GLU 82 82 17702 1 . LEU 83 83 17702 1 . THR 84 84 17702 1 . GLN 85 85 17702 1 . ALA 86 86 17702 1 . GLY 87 87 17702 1 . LEU 88 88 17702 1 . LYS 89 89 17702 1 . GLY 90 90 17702 1 . SER 91 91 17702 1 . THR 92 92 17702 1 . GLU 93 93 17702 1 . GLY 94 94 17702 1 . SER 95 95 17702 1 . GLU 96 96 17702 1 . SER 97 97 17702 1 . TYR 98 98 17702 1 . GLU 99 99 17702 1 . GLU 100 100 17702 1 . ASP 101 101 17702 1 . PRO 102 102 17702 1 . TYR 103 103 17702 1 . LEU 104 104 17702 1 . VAL 105 105 17702 1 . VAL 106 106 17702 1 . ASN 107 107 17702 1 . PRO 108 108 17702 1 . ASN 109 109 17702 1 . TYR 110 110 17702 1 . LEU 111 111 17702 1 . LEU 112 112 17702 1 . GLU 113 113 17702 1 . ASP 114 114 17702 1 stop_ save_ save_protein_comp2 _Entity.Sf_category entity _Entity.Sf_framecode protein_comp2 _Entity.Entry_ID 17702 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name protein_comp2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SALKGVSQDLLERIRAKEAQ KQLAQMTRW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 29 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3361.944 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 BMRB 16796 . MBD . . . . . 96.55 30 100.00 100.00 8.33e-09 . . . . 17702 2 2 no PDB 2LE8 . "The Protein Complex For Dna Replication" . . . . . 100.00 29 100.00 100.00 6.45e-10 . . . . 17702 2 3 no GB AAH14202 . "CDT1 protein, partial [Homo sapiens]" . . . . . 89.66 317 100.00 100.00 1.30e-06 . . . . 17702 2 4 no GB EAW66764 . "DNA replication factor, isoform CRA_c [Homo sapiens]" . . . . . 89.66 386 100.00 100.00 2.00e-06 . . . . 17702 2 5 no GB ELK00500 . "DNA replication factor Cdt1 [Pteropus alecto]" . . . . . 89.66 552 100.00 100.00 1.85e-06 . . . . 17702 2 6 no REF XP_006926820 . "PREDICTED: DNA replication factor Cdt1 [Pteropus alecto]" . . . . . 89.66 552 100.00 100.00 1.85e-06 . . . . 17702 2 7 no REF XP_009249324 . "PREDICTED: DNA replication factor Cdt1 [Pongo abelii]" . . . . . 89.66 465 100.00 100.00 1.36e-06 . . . . 17702 2 8 no REF XP_009429704 . "PREDICTED: DNA replication factor Cdt1 [Pan troglodytes]" . . . . . 89.66 522 100.00 100.00 1.75e-06 . . . . 17702 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 380 SER . 17702 2 2 381 ALA . 17702 2 3 382 LEU . 17702 2 4 383 LYS . 17702 2 5 384 GLY . 17702 2 6 385 VAL . 17702 2 7 386 SER . 17702 2 8 387 GLN . 17702 2 9 388 ASP . 17702 2 10 389 LEU . 17702 2 11 390 LEU . 17702 2 12 391 GLU . 17702 2 13 392 ARG . 17702 2 14 393 ILE . 17702 2 15 394 ARG . 17702 2 16 395 ALA . 17702 2 17 396 LYS . 17702 2 18 397 GLU . 17702 2 19 398 ALA . 17702 2 20 399 GLN . 17702 2 21 400 LYS . 17702 2 22 401 GLN . 17702 2 23 402 LEU . 17702 2 24 403 ALA . 17702 2 25 404 GLN . 17702 2 26 405 MET . 17702 2 27 406 THR . 17702 2 28 407 ARG . 17702 2 29 408 TRP . 17702 2 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 17702 2 . ALA 2 2 17702 2 . LEU 3 3 17702 2 . LYS 4 4 17702 2 . GLY 5 5 17702 2 . VAL 6 6 17702 2 . SER 7 7 17702 2 . GLN 8 8 17702 2 . ASP 9 9 17702 2 . LEU 10 10 17702 2 . LEU 11 11 17702 2 . GLU 12 12 17702 2 . ARG 13 13 17702 2 . ILE 14 14 17702 2 . ARG 15 15 17702 2 . ALA 16 16 17702 2 . LYS 17 17 17702 2 . GLU 18 18 17702 2 . ALA 19 19 17702 2 . GLN 20 20 17702 2 . LYS 21 21 17702 2 . GLN 22 22 17702 2 . LEU 23 23 17702 2 . ALA 24 24 17702 2 . GLN 25 25 17702 2 . MET 26 26 17702 2 . THR 27 27 17702 2 . ARG 28 28 17702 2 . TRP 29 29 17702 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17702 _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 $protein_comp1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17702 1 2 2 $protein_comp2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17702 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 17702 _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 $protein_comp1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET28a . . . . . . 17702 1 2 2 $protein_comp2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET28a . . . . . . 17702 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17702 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 25 . . mM . . . . 17702 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 17702 1 3 glycerol 'natural abundance' . . . . . . 1 . . % . . . . 17702 1 4 protein_comp2 '[U-100% 13C; U-100% 15N]' . . 2 $protein_comp2 . . 0.8 . . mM . . . . 17702 1 5 protein_comp1 'natural abundance' . . 1 $protein_comp1 . . 1 . . mM . . . . 17702 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17702 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17702 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17702 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES '[U-100% 15N]' . . . . . . 25 . . mM . . . . 17702 2 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 17702 2 3 glycerol 'natural abundance' . . . . . . 1 . . % . . . . 17702 2 4 protein_comp1 '[U-100% 13C; U-100% 15N]' . . 1 $protein_comp1 . . 0.8 . . mM . . . . 17702 2 5 protein_comp2 'natural abundance' . . 2 $protein_comp2 . . 1.0 . . mM . . . . 17702 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17702 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17702 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17702 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 25 . . mM . . . . 17702 3 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 17702 3 3 glycerol 'natural abundance' . . . . . . 1 . . % . . . . 17702 3 4 protein_comp1 '[U-100% 13C; U-100% 15N]' . . 1 $protein_comp1 . . 0.8 . . mM . . . . 17702 3 5 protein_comp2 'natural abundance' . . 2 $protein_comp2 . . 1.0 . . mM . . . . 17702 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17702 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17702 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MES 'natural abundance' . . . . . . 25 . . mM . . . . 17702 4 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 17702 4 3 glycerol 'natural abundance' . . . . . . 1 . . % . . . . 17702 4 4 protein_comp2 '[U-100% 13C; U-100% 15N]' . . 2 $protein_comp2 . . 0.8 . . mM . . . . 17702 4 5 protein_comp1 'natural abundance' . . 1 $protein_comp1 . . 1.0 . . mM . . . . 17702 4 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17702 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17702 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 3 . M 17702 1 pH 6.5 . pH 17702 1 pressure 1 . atm 17702 1 temperature 310 . K 17702 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17702 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17702 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17702 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17702 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17702 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17702 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17702 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17702 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17702 3 'peak picking' 17702 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17702 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17702 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17702 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17702 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17702 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17702 5 stop_ save_ save_HADDOCK1.3 _Software.Sf_category software _Software.Sf_framecode HADDOCK1.3 _Software.Entry_ID 17702 _Software.ID 6 _Software.Name HADDOCK1.3 _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexandre Bonvin' 'Utrecht University' . 17702 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17702 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 17702 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 17702 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17702 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17702 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17702 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17702 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 17702 1 2 spectrometer_2 Varian INOVA . 750 . . . 17702 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 17702 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 11 '13C/15N filtered-C13 edited NOE' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 12 '13C/15N filtered-C13 edited NOE' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 16 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17702 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17702 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17702 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17702 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17702 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17702 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17702 1 4 '3D HNCACB' . . . 17702 1 7 '3D HCCH-TOCSY' . . . 17702 1 8 '3D 1H-13C NOESY' . . . 17702 1 9 '3D 1H-13C NOESY' . . . 17702 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.622 0.020 . 1 . . . A 5 ALA HA . 17702 1 2 . 1 1 1 1 ALA H H 1 8.253 0.020 . 1 . . . A 5 ALA H1 . 17702 1 3 . 1 1 1 1 ALA CA C 13 50.661 0.400 . 1 . . . A 5 ALA CA . 17702 1 4 . 1 1 1 1 ALA N N 15 126.076 0.400 . 1 . . . A 5 ALA N . 17702 1 5 . 1 1 2 2 PRO HA H 1 4.447 0.020 . 1 . . . A 6 PRO HA . 17702 1 6 . 1 1 2 2 PRO HB2 H 1 2.312 0.020 . 2 . . . A 6 PRO HB2 . 17702 1 7 . 1 1 2 2 PRO HB3 H 1 2.312 0.020 . 2 . . . A 6 PRO HB3 . 17702 1 8 . 1 1 2 2 PRO HG2 H 1 1.924 0.020 . 2 . . . A 6 PRO HG2 . 17702 1 9 . 1 1 2 2 PRO HG3 H 1 1.924 0.020 . 2 . . . A 6 PRO HG3 . 17702 1 10 . 1 1 2 2 PRO HD2 H 1 3.814 0.020 . 2 . . . A 6 PRO HD2 . 17702 1 11 . 1 1 2 2 PRO HD3 H 1 3.672 0.020 . 2 . . . A 6 PRO HD3 . 17702 1 12 . 1 1 2 2 PRO CA C 13 63.227 0.400 . 1 . . . A 6 PRO CA . 17702 1 13 . 1 1 2 2 PRO CB C 13 32.087 0.400 . 1 . . . A 6 PRO CB . 17702 1 14 . 1 1 2 2 PRO CG C 13 27.527 0.400 . 1 . . . A 6 PRO CG . 17702 1 15 . 1 1 2 2 PRO CD C 13 50.569 0.400 . 1 . . . A 6 PRO CD . 17702 1 16 . 1 1 3 3 LYS H H 1 8.324 0.020 . 1 . . . A 7 LYS H . 17702 1 17 . 1 1 3 3 LYS HA H 1 4.270 0.020 . 1 . . . A 7 LYS HA . 17702 1 18 . 1 1 3 3 LYS HB2 H 1 1.813 0.020 . 2 . . . A 7 LYS HB2 . 17702 1 19 . 1 1 3 3 LYS HB3 H 1 1.813 0.020 . 2 . . . A 7 LYS HB3 . 17702 1 20 . 1 1 3 3 LYS HG2 H 1 1.484 0.020 . 2 . . . A 7 LYS HG2 . 17702 1 21 . 1 1 3 3 LYS HG3 H 1 1.484 0.020 . 2 . . . A 7 LYS HG3 . 17702 1 22 . 1 1 3 3 LYS CA C 13 56.677 0.400 . 1 . . . A 7 LYS CA . 17702 1 23 . 1 1 3 3 LYS CB C 13 33.058 0.400 . 1 . . . A 7 LYS CB . 17702 1 24 . 1 1 3 3 LYS CG C 13 25.195 0.400 . 1 . . . A 7 LYS CG . 17702 1 25 . 1 1 3 3 LYS N N 15 120.550 0.400 . 1 . . . A 7 LYS N . 17702 1 26 . 1 1 4 4 ALA H H 1 8.237 0.020 . 1 . . . A 8 ALA H . 17702 1 27 . 1 1 4 4 ALA HA H 1 4.330 0.020 . 1 . . . A 8 ALA HA . 17702 1 28 . 1 1 4 4 ALA CA C 13 52.823 0.400 . 1 . . . A 8 ALA CA . 17702 1 29 . 1 1 4 4 ALA N N 15 123.879 0.400 . 1 . . . A 8 ALA N . 17702 1 30 . 1 1 5 5 SER H H 1 8.099 0.020 . 1 . . . A 9 SER H . 17702 1 31 . 1 1 5 5 SER HA H 1 4.419 0.020 . 1 . . . A 9 SER HA . 17702 1 32 . 1 1 5 5 SER HB2 H 1 3.869 0.020 . 2 . . . A 9 SER HB2 . 17702 1 33 . 1 1 5 5 SER HB3 H 1 3.869 0.020 . 2 . . . A 9 SER HB3 . 17702 1 34 . 1 1 5 5 SER CA C 13 58.492 0.400 . 1 . . . A 9 SER CA . 17702 1 35 . 1 1 5 5 SER CB C 13 63.935 0.400 . 1 . . . A 9 SER CB . 17702 1 36 . 1 1 5 5 SER N N 15 113.817 0.400 . 1 . . . A 9 SER N . 17702 1 37 . 1 1 6 6 LEU H H 1 8.114 0.020 . 1 . . . A 10 LEU H . 17702 1 38 . 1 1 6 6 LEU HA H 1 4.399 0.020 . 1 . . . A 10 LEU HA . 17702 1 39 . 1 1 6 6 LEU HB2 H 1 1.618 0.020 . 2 . . . A 10 LEU HB2 . 17702 1 40 . 1 1 6 6 LEU HB3 H 1 1.618 0.020 . 2 . . . A 10 LEU HB3 . 17702 1 41 . 1 1 6 6 LEU CA C 13 55.195 0.400 . 1 . . . A 10 LEU CA . 17702 1 42 . 1 1 6 6 LEU CB C 13 42.714 0.400 . 1 . . . A 10 LEU CB . 17702 1 43 . 1 1 6 6 LEU N N 15 123.133 0.400 . 1 . . . A 10 LEU N . 17702 1 44 . 1 1 7 7 ARG HB2 H 1 1.714 0.020 . 2 . . . A 11 ARG HB2 . 17702 1 45 . 1 1 7 7 ARG HB3 H 1 1.714 0.020 . 2 . . . A 11 ARG HB3 . 17702 1 46 . 1 1 7 7 ARG HD2 H 1 3.192 0.020 . 2 . . . A 11 ARG HD2 . 17702 1 47 . 1 1 7 7 ARG HD3 H 1 3.192 0.020 . 2 . . . A 11 ARG HD3 . 17702 1 48 . 1 1 7 7 ARG CB C 13 30.731 0.400 . 1 . . . A 11 ARG CB . 17702 1 49 . 1 1 7 7 ARG CD C 13 43.567 0.400 . 1 . . . A 11 ARG CD . 17702 1 50 . 1 1 8 8 LEU H H 1 8.141 0.020 . 1 . . . A 12 LEU H . 17702 1 51 . 1 1 8 8 LEU HA H 1 4.306 0.020 . 1 . . . A 12 LEU HA . 17702 1 52 . 1 1 8 8 LEU HB2 H 1 1.597 0.020 . 2 . . . A 12 LEU HB2 . 17702 1 53 . 1 1 8 8 LEU HB3 H 1 1.597 0.020 . 2 . . . A 12 LEU HB3 . 17702 1 54 . 1 1 8 8 LEU CA C 13 54.873 0.400 . 1 . . . A 12 LEU CA . 17702 1 55 . 1 1 8 8 LEU CB C 13 43.704 0.400 . 1 . . . A 12 LEU CB . 17702 1 56 . 1 1 8 8 LEU N N 15 122.998 0.400 . 1 . . . A 12 LEU N . 17702 1 57 . 1 1 9 9 GLY H H 1 8.627 0.020 . 1 . . . A 13 GLY H . 17702 1 58 . 1 1 9 9 GLY HA2 H 1 4.062 0.020 . 2 . . . A 13 GLY HA2 . 17702 1 59 . 1 1 9 9 GLY HA3 H 1 4.267 0.020 . 2 . . . A 13 GLY HA3 . 17702 1 60 . 1 1 9 9 GLY CA C 13 44.968 0.400 . 1 . . . A 13 GLY CA . 17702 1 61 . 1 1 9 9 GLY N N 15 111.089 0.400 . 1 . . . A 13 GLY N . 17702 1 62 . 1 1 10 10 PHE HZ H 1 7.322 0.020 . 1 . . . A 14 PHE HZ . 17702 1 63 . 1 1 10 10 PHE CZ C 13 130.015 0.400 . 1 . . . A 14 PHE CZ . 17702 1 64 . 1 1 11 11 SER HA H 1 4.240 0.020 . 1 . . . A 15 SER HA . 17702 1 65 . 1 1 11 11 SER HB2 H 1 4.016 0.020 . 2 . . . A 15 SER HB2 . 17702 1 66 . 1 1 11 11 SER HB3 H 1 4.063 0.020 . 2 . . . A 15 SER HB3 . 17702 1 67 . 1 1 11 11 SER CA C 13 61.428 0.400 . 1 . . . A 15 SER CA . 17702 1 68 . 1 1 11 11 SER CB C 13 62.737 0.400 . 1 . . . A 15 SER CB . 17702 1 69 . 1 1 12 12 GLU H H 1 8.115 0.020 . 1 . . . A 16 GLU H . 17702 1 70 . 1 1 12 12 GLU HA H 1 4.340 0.020 . 1 . . . A 16 GLU HA . 17702 1 71 . 1 1 12 12 GLU HB2 H 1 2.037 0.020 . 2 . . . A 16 GLU HB2 . 17702 1 72 . 1 1 12 12 GLU HB3 H 1 2.153 0.020 . 2 . . . A 16 GLU HB3 . 17702 1 73 . 1 1 12 12 GLU CA C 13 58.981 0.400 . 1 . . . A 16 GLU CA . 17702 1 74 . 1 1 12 12 GLU CB C 13 30.172 0.400 . 1 . . . A 16 GLU CB . 17702 1 75 . 1 1 12 12 GLU N N 15 122.404 0.400 . 1 . . . A 16 GLU N . 17702 1 76 . 1 1 13 13 TYR H H 1 8.377 0.020 . 1 . . . A 17 TYR H . 17702 1 77 . 1 1 13 13 TYR HA H 1 4.293 0.020 . 1 . . . A 17 TYR HA . 17702 1 78 . 1 1 13 13 TYR HB2 H 1 2.996 0.020 . 2 . . . A 17 TYR HB2 . 17702 1 79 . 1 1 13 13 TYR HB3 H 1 2.907 0.020 . 2 . . . A 17 TYR HB3 . 17702 1 80 . 1 1 13 13 TYR CA C 13 61.614 0.400 . 1 . . . A 17 TYR CA . 17702 1 81 . 1 1 13 13 TYR CB C 13 38.526 0.400 . 1 . . . A 17 TYR CB . 17702 1 82 . 1 1 13 13 TYR N N 15 118.570 0.400 . 1 . . . A 17 TYR N . 17702 1 83 . 1 1 14 14 SER H H 1 8.494 0.020 . 1 . . . A 18 SER H . 17702 1 84 . 1 1 14 14 SER N N 15 115.078 0.400 . 1 . . . A 18 SER N . 17702 1 85 . 1 1 15 15 ARG H H 1 7.886 0.020 . 1 . . . A 19 ARG H . 17702 1 86 . 1 1 15 15 ARG HA H 1 4.112 0.020 . 1 . . . A 19 ARG HA . 17702 1 87 . 1 1 15 15 ARG HB2 H 1 2.037 0.020 . 2 . . . A 19 ARG HB2 . 17702 1 88 . 1 1 15 15 ARG HB3 H 1 2.037 0.020 . 2 . . . A 19 ARG HB3 . 17702 1 89 . 1 1 15 15 ARG CA C 13 59.757 0.400 . 1 . . . A 19 ARG CA . 17702 1 90 . 1 1 15 15 ARG CB C 13 30.477 0.400 . 1 . . . A 19 ARG CB . 17702 1 91 . 1 1 15 15 ARG N N 15 121.567 0.400 . 1 . . . A 19 ARG N . 17702 1 92 . 1 1 16 16 ILE H H 1 8.341 0.020 . 1 . . . A 20 ILE H . 17702 1 93 . 1 1 16 16 ILE HA H 1 3.723 0.020 . 1 . . . A 20 ILE HA . 17702 1 94 . 1 1 16 16 ILE HB H 1 2.130 0.020 . 1 . . . A 20 ILE HB . 17702 1 95 . 1 1 16 16 ILE HG21 H 1 0.890 0.020 . 1 . . . A 20 ILE HG21 . 17702 1 96 . 1 1 16 16 ILE HG22 H 1 0.890 0.020 . 1 . . . A 20 ILE HG22 . 17702 1 97 . 1 1 16 16 ILE HG23 H 1 0.890 0.020 . 1 . . . A 20 ILE HG23 . 17702 1 98 . 1 1 16 16 ILE HD11 H 1 0.896 0.020 . 1 . . . A 20 ILE HD11 . 17702 1 99 . 1 1 16 16 ILE HD12 H 1 0.896 0.020 . 1 . . . A 20 ILE HD12 . 17702 1 100 . 1 1 16 16 ILE HD13 H 1 0.896 0.020 . 1 . . . A 20 ILE HD13 . 17702 1 101 . 1 1 16 16 ILE CA C 13 65.645 0.400 . 1 . . . A 20 ILE CA . 17702 1 102 . 1 1 16 16 ILE CB C 13 32.114 0.400 . 1 . . . A 20 ILE CB . 17702 1 103 . 1 1 16 16 ILE CG2 C 13 17.632 0.400 . 1 . . . A 20 ILE CG2 . 17702 1 104 . 1 1 16 16 ILE CD1 C 13 13.673 0.400 . 1 . . . A 20 ILE CD1 . 17702 1 105 . 1 1 16 16 ILE N N 15 118.478 0.400 . 1 . . . A 20 ILE N . 17702 1 106 . 1 1 17 17 SER H H 1 8.255 0.020 . 1 . . . A 21 SER H . 17702 1 107 . 1 1 17 17 SER N N 15 113.845 0.400 . 1 . . . A 21 SER N . 17702 1 108 . 1 1 18 18 ASN H H 1 7.857 0.020 . 1 . . . A 22 ASN H . 17702 1 109 . 1 1 18 18 ASN HA H 1 4.434 0.020 . 1 . . . A 22 ASN HA . 17702 1 110 . 1 1 18 18 ASN HB2 H 1 2.818 0.020 . 2 . . . A 22 ASN HB2 . 17702 1 111 . 1 1 18 18 ASN HB3 H 1 2.993 0.020 . 2 . . . A 22 ASN HB3 . 17702 1 112 . 1 1 18 18 ASN CA C 13 56.923 0.400 . 1 . . . A 22 ASN CA . 17702 1 113 . 1 1 18 18 ASN CB C 13 38.935 0.400 . 1 . . . A 22 ASN CB . 17702 1 114 . 1 1 18 18 ASN N N 15 117.652 0.400 . 1 . . . A 22 ASN N . 17702 1 115 . 1 1 19 19 LEU H H 1 7.610 0.020 . 1 . . . A 23 LEU H . 17702 1 116 . 1 1 19 19 LEU HA H 1 4.288 0.020 . 1 . . . A 23 LEU HA . 17702 1 117 . 1 1 19 19 LEU HB2 H 1 2.096 0.020 . 2 . . . A 23 LEU HB2 . 17702 1 118 . 1 1 19 19 LEU HB3 H 1 2.274 0.020 . 2 . . . A 23 LEU HB3 . 17702 1 119 . 1 1 19 19 LEU HD11 H 1 1.145 0.020 . 2 . . . A 23 LEU HD11 . 17702 1 120 . 1 1 19 19 LEU HD12 H 1 1.145 0.020 . 2 . . . A 23 LEU HD12 . 17702 1 121 . 1 1 19 19 LEU HD13 H 1 1.145 0.020 . 2 . . . A 23 LEU HD13 . 17702 1 122 . 1 1 19 19 LEU HD21 H 1 1.106 0.020 . 2 . . . A 23 LEU HD21 . 17702 1 123 . 1 1 19 19 LEU HD22 H 1 1.106 0.020 . 2 . . . A 23 LEU HD22 . 17702 1 124 . 1 1 19 19 LEU HD23 H 1 1.106 0.020 . 2 . . . A 23 LEU HD23 . 17702 1 125 . 1 1 19 19 LEU CA C 13 58.577 0.400 . 1 . . . A 23 LEU CA . 17702 1 126 . 1 1 19 19 LEU CB C 13 42.525 0.400 . 1 . . . A 23 LEU CB . 17702 1 127 . 1 1 19 19 LEU CD1 C 13 26.061 0.400 . 1 . . . A 23 LEU CD1 . 17702 1 128 . 1 1 19 19 LEU CD2 C 13 24.641 0.400 . 1 . . . A 23 LEU CD2 . 17702 1 129 . 1 1 19 19 LEU N N 15 118.126 0.400 . 1 . . . A 23 LEU N . 17702 1 130 . 1 1 20 20 ILE H H 1 8.258 0.020 . 1 . . . A 24 ILE H . 17702 1 131 . 1 1 20 20 ILE HA H 1 3.773 0.020 . 1 . . . A 24 ILE HA . 17702 1 132 . 1 1 20 20 ILE HB H 1 2.142 0.020 . 1 . . . A 24 ILE HB . 17702 1 133 . 1 1 20 20 ILE HG21 H 1 0.903 0.020 . 1 . . . A 24 ILE HG21 . 17702 1 134 . 1 1 20 20 ILE HG22 H 1 0.903 0.020 . 1 . . . A 24 ILE HG22 . 17702 1 135 . 1 1 20 20 ILE HG23 H 1 0.903 0.020 . 1 . . . A 24 ILE HG23 . 17702 1 136 . 1 1 20 20 ILE HD11 H 1 0.766 0.020 . 1 . . . A 24 ILE HD11 . 17702 1 137 . 1 1 20 20 ILE HD12 H 1 0.766 0.020 . 1 . . . A 24 ILE HD12 . 17702 1 138 . 1 1 20 20 ILE HD13 H 1 0.766 0.020 . 1 . . . A 24 ILE HD13 . 17702 1 139 . 1 1 20 20 ILE CA C 13 65.455 0.400 . 1 . . . A 24 ILE CA . 17702 1 140 . 1 1 20 20 ILE CB C 13 37.900 0.400 . 1 . . . A 24 ILE CB . 17702 1 141 . 1 1 20 20 ILE CG2 C 13 18.413 0.400 . 1 . . . A 24 ILE CG2 . 17702 1 142 . 1 1 20 20 ILE CD1 C 13 14.221 0.400 . 1 . . . A 24 ILE CD1 . 17702 1 143 . 1 1 20 20 ILE N N 15 117.736 0.400 . 1 . . . A 24 ILE N . 17702 1 144 . 1 1 21 21 VAL H H 1 8.409 0.020 . 1 . . . A 25 VAL H . 17702 1 145 . 1 1 21 21 VAL HA H 1 3.402 0.020 . 1 . . . A 25 VAL HA . 17702 1 146 . 1 1 21 21 VAL HB H 1 2.167 0.020 . 1 . . . A 25 VAL HB . 17702 1 147 . 1 1 21 21 VAL HG11 H 1 0.943 0.020 . 2 . . . A 25 VAL HG11 . 17702 1 148 . 1 1 21 21 VAL HG12 H 1 0.943 0.020 . 2 . . . A 25 VAL HG12 . 17702 1 149 . 1 1 21 21 VAL HG13 H 1 0.943 0.020 . 2 . . . A 25 VAL HG13 . 17702 1 150 . 1 1 21 21 VAL HG21 H 1 0.927 0.020 . 2 . . . A 25 VAL HG21 . 17702 1 151 . 1 1 21 21 VAL HG22 H 1 0.927 0.020 . 2 . . . A 25 VAL HG22 . 17702 1 152 . 1 1 21 21 VAL HG23 H 1 0.927 0.020 . 2 . . . A 25 VAL HG23 . 17702 1 153 . 1 1 21 21 VAL CA C 13 67.537 0.400 . 1 . . . A 25 VAL CA . 17702 1 154 . 1 1 21 21 VAL CB C 13 31.726 0.400 . 1 . . . A 25 VAL CB . 17702 1 155 . 1 1 21 21 VAL CG1 C 13 21.975 0.400 . 1 . . . A 25 VAL CG1 . 17702 1 156 . 1 1 21 21 VAL CG2 C 13 24.097 0.400 . 1 . . . A 25 VAL CG2 . 17702 1 157 . 1 1 21 21 VAL N N 15 119.556 0.400 . 1 . . . A 25 VAL N . 17702 1 158 . 1 1 22 22 LEU H H 1 8.220 0.020 . 1 . . . A 26 LEU H . 17702 1 159 . 1 1 22 22 LEU HA H 1 4.032 0.020 . 1 . . . A 26 LEU HA . 17702 1 160 . 1 1 22 22 LEU HB2 H 1 1.728 0.020 . 2 . . . A 26 LEU HB2 . 17702 1 161 . 1 1 22 22 LEU HB3 H 1 1.984 0.020 . 2 . . . A 26 LEU HB3 . 17702 1 162 . 1 1 22 22 LEU HD11 H 1 0.973 0.020 . 2 . . . A 26 LEU HD11 . 17702 1 163 . 1 1 22 22 LEU HD12 H 1 0.973 0.020 . 2 . . . A 26 LEU HD12 . 17702 1 164 . 1 1 22 22 LEU HD13 H 1 0.973 0.020 . 2 . . . A 26 LEU HD13 . 17702 1 165 . 1 1 22 22 LEU CA C 13 58.304 0.400 . 1 . . . A 26 LEU CA . 17702 1 166 . 1 1 22 22 LEU CB C 13 41.644 0.400 . 1 . . . A 26 LEU CB . 17702 1 167 . 1 1 22 22 LEU CD1 C 13 24.131 0.400 . 1 . . . A 26 LEU CD1 . 17702 1 168 . 1 1 22 22 LEU N N 15 117.511 0.400 . 1 . . . A 26 LEU N . 17702 1 169 . 1 1 23 23 HIS H H 1 7.864 0.020 . 1 . . . A 27 HIS H . 17702 1 170 . 1 1 23 23 HIS HA H 1 4.199 0.020 . 1 . . . A 27 HIS HA . 17702 1 171 . 1 1 23 23 HIS HB2 H 1 2.580 0.020 . 2 . . . A 27 HIS HB2 . 17702 1 172 . 1 1 23 23 HIS HB3 H 1 2.780 0.020 . 2 . . . A 27 HIS HB3 . 17702 1 173 . 1 1 23 23 HIS CA C 13 59.308 0.400 . 1 . . . A 27 HIS CA . 17702 1 174 . 1 1 23 23 HIS CB C 13 28.652 0.400 . 1 . . . A 27 HIS CB . 17702 1 175 . 1 1 23 23 HIS N N 15 117.057 0.400 . 1 . . . A 27 HIS N . 17702 1 176 . 1 1 24 24 LEU H H 1 8.354 0.020 . 1 . . . A 28 LEU H . 17702 1 177 . 1 1 24 24 LEU HA H 1 3.771 0.020 . 1 . . . A 28 LEU HA . 17702 1 178 . 1 1 24 24 LEU HB2 H 1 1.769 0.020 . 2 . . . A 28 LEU HB2 . 17702 1 179 . 1 1 24 24 LEU HB3 H 1 1.769 0.020 . 2 . . . A 28 LEU HB3 . 17702 1 180 . 1 1 24 24 LEU CA C 13 57.922 0.400 . 1 . . . A 28 LEU CA . 17702 1 181 . 1 1 24 24 LEU CB C 13 41.733 0.400 . 1 . . . A 28 LEU CB . 17702 1 182 . 1 1 24 24 LEU N N 15 117.549 0.400 . 1 . . . A 28 LEU N . 17702 1 183 . 1 1 25 25 ARG H H 1 8.385 0.020 . 1 . . . A 29 ARG H . 17702 1 184 . 1 1 25 25 ARG HA H 1 4.055 0.020 . 1 . . . A 29 ARG HA . 17702 1 185 . 1 1 25 25 ARG HB2 H 1 1.721 0.020 . 2 . . . A 29 ARG HB2 . 17702 1 186 . 1 1 25 25 ARG HB3 H 1 1.721 0.020 . 2 . . . A 29 ARG HB3 . 17702 1 187 . 1 1 25 25 ARG HD2 H 1 3.187 0.020 . 2 . . . A 29 ARG HD2 . 17702 1 188 . 1 1 25 25 ARG HD3 H 1 3.187 0.020 . 2 . . . A 29 ARG HD3 . 17702 1 189 . 1 1 25 25 ARG CA C 13 59.387 0.400 . 1 . . . A 29 ARG CA . 17702 1 190 . 1 1 25 25 ARG CB C 13 29.812 0.400 . 1 . . . A 29 ARG CB . 17702 1 191 . 1 1 25 25 ARG CD C 13 43.630 0.400 . 1 . . . A 29 ARG CD . 17702 1 192 . 1 1 25 25 ARG N N 15 118.201 0.400 . 1 . . . A 29 ARG N . 17702 1 193 . 1 1 26 26 LYS H H 1 7.555 0.020 . 1 . . . A 30 LYS H . 17702 1 194 . 1 1 26 26 LYS HA H 1 4.075 0.020 . 1 . . . A 30 LYS HA . 17702 1 195 . 1 1 26 26 LYS HB2 H 1 1.912 0.020 . 2 . . . A 30 LYS HB2 . 17702 1 196 . 1 1 26 26 LYS HB3 H 1 1.912 0.020 . 2 . . . A 30 LYS HB3 . 17702 1 197 . 1 1 26 26 LYS CA C 13 59.187 0.400 . 1 . . . A 30 LYS CA . 17702 1 198 . 1 1 26 26 LYS CB C 13 31.976 0.400 . 1 . . . A 30 LYS CB . 17702 1 199 . 1 1 26 26 LYS N N 15 120.113 0.400 . 1 . . . A 30 LYS N . 17702 1 200 . 1 1 27 27 VAL H H 1 7.879 0.020 . 1 . . . A 31 VAL H . 17702 1 201 . 1 1 27 27 VAL HA H 1 3.606 0.020 . 1 . . . A 31 VAL HA . 17702 1 202 . 1 1 27 27 VAL HB H 1 1.966 0.020 . 1 . . . A 31 VAL HB . 17702 1 203 . 1 1 27 27 VAL HG11 H 1 0.715 0.020 . 2 . . . A 31 VAL HG11 . 17702 1 204 . 1 1 27 27 VAL HG12 H 1 0.715 0.020 . 2 . . . A 31 VAL HG12 . 17702 1 205 . 1 1 27 27 VAL HG13 H 1 0.715 0.020 . 2 . . . A 31 VAL HG13 . 17702 1 206 . 1 1 27 27 VAL HG21 H 1 0.549 0.020 . 2 . . . A 31 VAL HG21 . 17702 1 207 . 1 1 27 27 VAL HG22 H 1 0.549 0.020 . 2 . . . A 31 VAL HG22 . 17702 1 208 . 1 1 27 27 VAL HG23 H 1 0.549 0.020 . 2 . . . A 31 VAL HG23 . 17702 1 209 . 1 1 27 27 VAL CA C 13 65.902 0.400 . 1 . . . A 31 VAL CA . 17702 1 210 . 1 1 27 27 VAL CB C 13 31.775 0.400 . 1 . . . A 31 VAL CB . 17702 1 211 . 1 1 27 27 VAL CG1 C 13 22.233 0.400 . 1 . . . A 31 VAL CG1 . 17702 1 212 . 1 1 27 27 VAL CG2 C 13 21.990 0.400 . 1 . . . A 31 VAL CG2 . 17702 1 213 . 1 1 27 27 VAL N N 15 117.349 0.400 . 1 . . . A 31 VAL N . 17702 1 214 . 1 1 28 28 GLU H H 1 7.877 0.020 . 1 . . . A 32 GLU H . 17702 1 215 . 1 1 28 28 GLU HA H 1 4.010 0.020 . 1 . . . A 32 GLU HA . 17702 1 216 . 1 1 28 28 GLU HB2 H 1 2.168 0.020 . 2 . . . A 32 GLU HB2 . 17702 1 217 . 1 1 28 28 GLU HB3 H 1 2.168 0.020 . 2 . . . A 32 GLU HB3 . 17702 1 218 . 1 1 28 28 GLU HG2 H 1 2.295 0.020 . 2 . . . A 32 GLU HG2 . 17702 1 219 . 1 1 28 28 GLU HG3 H 1 2.446 0.020 . 2 . . . A 32 GLU HG3 . 17702 1 220 . 1 1 28 28 GLU CA C 13 59.206 0.400 . 1 . . . A 32 GLU CA . 17702 1 221 . 1 1 28 28 GLU CB C 13 29.933 0.400 . 1 . . . A 32 GLU CB . 17702 1 222 . 1 1 28 28 GLU CG C 13 36.354 0.400 . 1 . . . A 32 GLU CG . 17702 1 223 . 1 1 28 28 GLU N N 15 118.505 0.400 . 1 . . . A 32 GLU N . 17702 1 224 . 1 1 29 29 GLU H H 1 7.659 0.020 . 1 . . . A 33 GLU H . 17702 1 225 . 1 1 29 29 GLU HA H 1 4.188 0.020 . 1 . . . A 33 GLU HA . 17702 1 226 . 1 1 29 29 GLU HB2 H 1 2.166 0.020 . 2 . . . A 33 GLU HB2 . 17702 1 227 . 1 1 29 29 GLU HB3 H 1 2.166 0.020 . 2 . . . A 33 GLU HB3 . 17702 1 228 . 1 1 29 29 GLU HG2 H 1 2.476 0.020 . 2 . . . A 33 GLU HG2 . 17702 1 229 . 1 1 29 29 GLU HG3 H 1 2.476 0.020 . 2 . . . A 33 GLU HG3 . 17702 1 230 . 1 1 29 29 GLU CA C 13 58.100 0.400 . 1 . . . A 33 GLU CA . 17702 1 231 . 1 1 29 29 GLU CB C 13 30.425 0.400 . 1 . . . A 33 GLU CB . 17702 1 232 . 1 1 29 29 GLU CG C 13 36.550 0.400 . 1 . . . A 33 GLU CG . 17702 1 233 . 1 1 29 29 GLU N N 15 116.178 0.400 . 1 . . . A 33 GLU N . 17702 1 234 . 1 1 30 30 GLU H H 1 7.901 0.020 . 1 . . . A 34 GLU H . 17702 1 235 . 1 1 30 30 GLU HA H 1 4.349 0.020 . 1 . . . A 34 GLU HA . 17702 1 236 . 1 1 30 30 GLU HB2 H 1 2.155 0.020 . 2 . . . A 34 GLU HB2 . 17702 1 237 . 1 1 30 30 GLU HB3 H 1 2.155 0.020 . 2 . . . A 34 GLU HB3 . 17702 1 238 . 1 1 30 30 GLU CA C 13 57.185 0.400 . 1 . . . A 34 GLU CA . 17702 1 239 . 1 1 30 30 GLU CB C 13 30.522 0.400 . 1 . . . A 34 GLU CB . 17702 1 240 . 1 1 30 30 GLU N N 15 116.782 0.400 . 1 . . . A 34 GLU N . 17702 1 241 . 1 1 31 31 GLU H H 1 8.187 0.020 . 1 . . . A 35 GLU H . 17702 1 242 . 1 1 31 31 GLU HA H 1 4.354 0.020 . 1 . . . A 35 GLU HA . 17702 1 243 . 1 1 31 31 GLU HB2 H 1 2.068 0.020 . 2 . . . A 35 GLU HB2 . 17702 1 244 . 1 1 31 31 GLU HB3 H 1 2.068 0.020 . 2 . . . A 35 GLU HB3 . 17702 1 245 . 1 1 31 31 GLU HG2 H 1 2.287 0.020 . 2 . . . A 35 GLU HG2 . 17702 1 246 . 1 1 31 31 GLU HG3 H 1 2.287 0.020 . 2 . . . A 35 GLU HG3 . 17702 1 247 . 1 1 31 31 GLU CA C 13 56.673 0.400 . 1 . . . A 35 GLU CA . 17702 1 248 . 1 1 31 31 GLU CB C 13 30.065 0.400 . 1 . . . A 35 GLU CB . 17702 1 249 . 1 1 31 31 GLU CG C 13 36.534 0.400 . 1 . . . A 35 GLU CG . 17702 1 250 . 1 1 31 31 GLU N N 15 117.786 0.400 . 1 . . . A 35 GLU N . 17702 1 251 . 1 1 32 32 ASP H H 1 8.263 0.020 . 1 . . . A 36 ASP H . 17702 1 252 . 1 1 32 32 ASP HA H 1 4.608 0.020 . 1 . . . A 36 ASP HA . 17702 1 253 . 1 1 32 32 ASP HB2 H 1 2.643 0.020 . 2 . . . A 36 ASP HB2 . 17702 1 254 . 1 1 32 32 ASP HB3 H 1 2.820 0.020 . 2 . . . A 36 ASP HB3 . 17702 1 255 . 1 1 32 32 ASP CA C 13 55.003 0.400 . 1 . . . A 36 ASP CA . 17702 1 256 . 1 1 32 32 ASP CB C 13 40.870 0.400 . 1 . . . A 36 ASP CB . 17702 1 257 . 1 1 32 32 ASP N N 15 118.476 0.400 . 1 . . . A 36 ASP N . 17702 1 258 . 1 1 33 33 GLU H H 1 8.053 0.020 . 1 . . . A 37 GLU H . 17702 1 259 . 1 1 33 33 GLU HA H 1 4.300 0.020 . 1 . . . A 37 GLU HA . 17702 1 260 . 1 1 33 33 GLU HB2 H 1 1.939 0.020 . 2 . . . A 37 GLU HB2 . 17702 1 261 . 1 1 33 33 GLU HB3 H 1 2.058 0.020 . 2 . . . A 37 GLU HB3 . 17702 1 262 . 1 1 33 33 GLU CA C 13 56.778 0.400 . 1 . . . A 37 GLU CA . 17702 1 263 . 1 1 33 33 GLU CB C 13 30.122 0.400 . 1 . . . A 37 GLU CB . 17702 1 264 . 1 1 33 33 GLU N N 15 118.708 0.400 . 1 . . . A 37 GLU N . 17702 1 265 . 1 1 34 34 SER H H 1 8.153 0.020 . 1 . . . A 38 SER H . 17702 1 266 . 1 1 34 34 SER HA H 1 4.325 0.020 . 1 . . . A 38 SER HA . 17702 1 267 . 1 1 34 34 SER HB2 H 1 3.886 0.020 . 2 . . . A 38 SER HB2 . 17702 1 268 . 1 1 34 34 SER HB3 H 1 3.886 0.020 . 2 . . . A 38 SER HB3 . 17702 1 269 . 1 1 34 34 SER CA C 13 59.287 0.400 . 1 . . . A 38 SER CA . 17702 1 270 . 1 1 34 34 SER CB C 13 64.076 0.400 . 1 . . . A 38 SER CB . 17702 1 271 . 1 1 34 34 SER N N 15 114.657 0.400 . 1 . . . A 38 SER N . 17702 1 272 . 1 1 35 35 ALA H H 1 7.611 0.020 . 1 . . . A 39 ALA H . 17702 1 273 . 1 1 35 35 ALA HA H 1 4.501 0.020 . 1 . . . A 39 ALA HA . 17702 1 274 . 1 1 35 35 ALA HB1 H 1 1.262 0.020 . 1 . . . A 39 ALA HB1 . 17702 1 275 . 1 1 35 35 ALA HB2 H 1 1.262 0.020 . 1 . . . A 39 ALA HB2 . 17702 1 276 . 1 1 35 35 ALA HB3 H 1 1.262 0.020 . 1 . . . A 39 ALA HB3 . 17702 1 277 . 1 1 35 35 ALA CA C 13 52.096 0.400 . 1 . . . A 39 ALA CA . 17702 1 278 . 1 1 35 35 ALA CB C 13 21.333 0.400 . 1 . . . A 39 ALA CB . 17702 1 279 . 1 1 35 35 ALA N N 15 121.405 0.400 . 1 . . . A 39 ALA N . 17702 1 280 . 1 1 37 37 LYS HA H 1 4.122 0.020 . 1 . . . A 41 LYS HA . 17702 1 281 . 1 1 37 37 LYS CA C 13 56.389 0.400 . 1 . . . A 41 LYS CA . 17702 1 282 . 1 1 38 38 ARG H H 1 8.605 0.020 . 1 . . . A 42 ARG H . 17702 1 283 . 1 1 38 38 ARG HA H 1 4.370 0.020 . 1 . . . A 42 ARG HA . 17702 1 284 . 1 1 38 38 ARG CA C 13 61.196 0.400 . 1 . . . A 42 ARG CA . 17702 1 285 . 1 1 38 38 ARG N N 15 123.585 0.400 . 1 . . . A 42 ARG N . 17702 1 286 . 1 1 39 39 SER H H 1 10.216 0.020 . 1 . . . A 43 SER H . 17702 1 287 . 1 1 39 39 SER HA H 1 4.003 0.020 . 1 . . . A 43 SER HA . 17702 1 288 . 1 1 39 39 SER CA C 13 61.082 0.400 . 1 . . . A 43 SER CA . 17702 1 289 . 1 1 39 39 SER N N 15 113.513 0.400 . 1 . . . A 43 SER N . 17702 1 290 . 1 1 40 40 GLU H H 1 6.961 0.020 . 1 . . . A 44 GLU H . 17702 1 291 . 1 1 40 40 GLU HA H 1 4.336 0.020 . 1 . . . A 44 GLU HA . 17702 1 292 . 1 1 40 40 GLU HB2 H 1 2.221 0.020 . 2 . . . A 44 GLU HB2 . 17702 1 293 . 1 1 40 40 GLU HB3 H 1 2.221 0.020 . 2 . . . A 44 GLU HB3 . 17702 1 294 . 1 1 40 40 GLU CA C 13 58.421 0.400 . 1 . . . A 44 GLU CA . 17702 1 295 . 1 1 40 40 GLU CB C 13 30.159 0.400 . 1 . . . A 44 GLU CB . 17702 1 296 . 1 1 40 40 GLU N N 15 122.552 0.400 . 1 . . . A 44 GLU N . 17702 1 297 . 1 1 41 41 LEU H H 1 8.456 0.020 . 1 . . . A 45 LEU H . 17702 1 298 . 1 1 41 41 LEU HA H 1 4.443 0.020 . 1 . . . A 45 LEU HA . 17702 1 299 . 1 1 41 41 LEU HB2 H 1 1.778 0.020 . 2 . . . A 45 LEU HB2 . 17702 1 300 . 1 1 41 41 LEU HB3 H 1 1.778 0.020 . 2 . . . A 45 LEU HB3 . 17702 1 301 . 1 1 41 41 LEU CA C 13 58.251 0.400 . 1 . . . A 45 LEU CA . 17702 1 302 . 1 1 41 41 LEU CB C 13 42.229 0.400 . 1 . . . A 45 LEU CB . 17702 1 303 . 1 1 41 41 LEU N N 15 123.875 0.400 . 1 . . . A 45 LEU N . 17702 1 304 . 1 1 42 42 VAL H H 1 8.341 0.020 . 1 . . . A 46 VAL H . 17702 1 305 . 1 1 42 42 VAL HA H 1 3.585 0.020 . 1 . . . A 46 VAL HA . 17702 1 306 . 1 1 42 42 VAL HG11 H 1 1.022 0.020 . 2 . . . A 46 VAL HG11 . 17702 1 307 . 1 1 42 42 VAL HG12 H 1 1.022 0.020 . 2 . . . A 46 VAL HG12 . 17702 1 308 . 1 1 42 42 VAL HG13 H 1 1.022 0.020 . 2 . . . A 46 VAL HG13 . 17702 1 309 . 1 1 42 42 VAL HG21 H 1 1.089 0.020 . 2 . . . A 46 VAL HG21 . 17702 1 310 . 1 1 42 42 VAL HG22 H 1 1.089 0.020 . 2 . . . A 46 VAL HG22 . 17702 1 311 . 1 1 42 42 VAL HG23 H 1 1.089 0.020 . 2 . . . A 46 VAL HG23 . 17702 1 312 . 1 1 42 42 VAL CA C 13 67.395 0.400 . 1 . . . A 46 VAL CA . 17702 1 313 . 1 1 42 42 VAL CG1 C 13 21.864 0.400 . 1 . . . A 46 VAL CG1 . 17702 1 314 . 1 1 42 42 VAL CG2 C 13 23.919 0.400 . 1 . . . A 46 VAL CG2 . 17702 1 315 . 1 1 42 42 VAL N N 15 118.478 0.400 . 1 . . . A 46 VAL N . 17702 1 316 . 1 1 43 43 ASN H H 1 7.974 0.020 . 1 . . . A 47 ASN H . 17702 1 317 . 1 1 43 43 ASN HA H 1 4.463 0.020 . 1 . . . A 47 ASN HA . 17702 1 318 . 1 1 43 43 ASN HB2 H 1 2.970 0.020 . 2 . . . A 47 ASN HB2 . 17702 1 319 . 1 1 43 43 ASN HB3 H 1 2.860 0.020 . 2 . . . A 47 ASN HB3 . 17702 1 320 . 1 1 43 43 ASN CA C 13 56.459 0.400 . 1 . . . A 47 ASN CA . 17702 1 321 . 1 1 43 43 ASN CB C 13 38.343 0.400 . 1 . . . A 47 ASN CB . 17702 1 322 . 1 1 43 43 ASN N N 15 115.335 0.400 . 1 . . . A 47 ASN N . 17702 1 323 . 1 1 44 44 TRP H H 1 8.547 0.020 . 1 . . . A 48 TRP H . 17702 1 324 . 1 1 44 44 TRP HA H 1 4.125 0.020 . 1 . . . A 48 TRP HA . 17702 1 325 . 1 1 44 44 TRP HB2 H 1 3.476 0.020 . 2 . . . A 48 TRP HB2 . 17702 1 326 . 1 1 44 44 TRP HB3 H 1 3.694 0.020 . 2 . . . A 48 TRP HB3 . 17702 1 327 . 1 1 44 44 TRP HD1 H 1 7.196 0.020 . 1 . . . A 48 TRP HD1 . 17702 1 328 . 1 1 44 44 TRP HE1 H 1 9.761 0.020 . 1 . . . A 48 TRP HE1 . 17702 1 329 . 1 1 44 44 TRP HZ2 H 1 7.241 0.020 . 1 . . . A 48 TRP HZ2 . 17702 1 330 . 1 1 44 44 TRP HH2 H 1 6.963 0.020 . 1 . . . A 48 TRP HH2 . 17702 1 331 . 1 1 44 44 TRP CA C 13 62.008 0.400 . 1 . . . A 48 TRP CA . 17702 1 332 . 1 1 44 44 TRP CB C 13 27.510 0.400 . 1 . . . A 48 TRP CB . 17702 1 333 . 1 1 44 44 TRP CD1 C 13 126.969 0.400 . 1 . . . A 48 TRP CD1 . 17702 1 334 . 1 1 44 44 TRP CZ2 C 13 114.466 0.400 . 1 . . . A 48 TRP CZ2 . 17702 1 335 . 1 1 44 44 TRP CH2 C 13 123.685 0.400 . 1 . . . A 48 TRP CH2 . 17702 1 336 . 1 1 44 44 TRP N N 15 120.826 0.400 . 1 . . . A 48 TRP N . 17702 1 337 . 1 1 44 44 TRP NE1 N 15 129.605 0.400 . 1 . . . A 48 TRP NE1 . 17702 1 338 . 1 1 45 45 TYR H H 1 8.230 0.020 . 1 . . . A 49 TYR H . 17702 1 339 . 1 1 45 45 TYR HA H 1 4.595 0.020 . 1 . . . A 49 TYR HA . 17702 1 340 . 1 1 45 45 TYR HB2 H 1 3.115 0.020 . 2 . . . A 49 TYR HB2 . 17702 1 341 . 1 1 45 45 TYR HB3 H 1 3.018 0.020 . 2 . . . A 49 TYR HB3 . 17702 1 342 . 1 1 45 45 TYR CA C 13 61.762 0.400 . 1 . . . A 49 TYR CA . 17702 1 343 . 1 1 45 45 TYR CB C 13 38.794 0.400 . 1 . . . A 49 TYR CB . 17702 1 344 . 1 1 45 45 TYR N N 15 120.317 0.400 . 1 . . . A 49 TYR N . 17702 1 345 . 1 1 46 46 LEU H H 1 8.093 0.020 . 1 . . . A 50 LEU H . 17702 1 346 . 1 1 46 46 LEU HA H 1 3.719 0.020 . 1 . . . A 50 LEU HA . 17702 1 347 . 1 1 46 46 LEU HD11 H 1 0.898 0.020 . 2 . . . A 50 LEU HD11 . 17702 1 348 . 1 1 46 46 LEU HD12 H 1 0.898 0.020 . 2 . . . A 50 LEU HD12 . 17702 1 349 . 1 1 46 46 LEU HD13 H 1 0.898 0.020 . 2 . . . A 50 LEU HD13 . 17702 1 350 . 1 1 46 46 LEU HD21 H 1 0.766 0.020 . 2 . . . A 50 LEU HD21 . 17702 1 351 . 1 1 46 46 LEU HD22 H 1 0.766 0.020 . 2 . . . A 50 LEU HD22 . 17702 1 352 . 1 1 46 46 LEU HD23 H 1 0.766 0.020 . 2 . . . A 50 LEU HD23 . 17702 1 353 . 1 1 46 46 LEU CA C 13 57.315 0.400 . 1 . . . A 50 LEU CA . 17702 1 354 . 1 1 46 46 LEU CD1 C 13 26.519 0.400 . 1 . . . A 50 LEU CD1 . 17702 1 355 . 1 1 46 46 LEU CD2 C 13 22.733 0.400 . 1 . . . A 50 LEU CD2 . 17702 1 356 . 1 1 46 46 LEU N N 15 115.041 0.400 . 1 . . . A 50 LEU N . 17702 1 357 . 1 1 47 47 LYS H H 1 7.506 0.020 . 1 . . . A 51 LYS H . 17702 1 358 . 1 1 47 47 LYS HA H 1 4.047 0.020 . 1 . . . A 51 LYS HA . 17702 1 359 . 1 1 47 47 LYS HB2 H 1 1.838 0.020 . 2 . . . A 51 LYS HB2 . 17702 1 360 . 1 1 47 47 LYS HB3 H 1 1.838 0.020 . 2 . . . A 51 LYS HB3 . 17702 1 361 . 1 1 47 47 LYS HG2 H 1 1.449 0.020 . 2 . . . A 51 LYS HG2 . 17702 1 362 . 1 1 47 47 LYS HG3 H 1 1.449 0.020 . 2 . . . A 51 LYS HG3 . 17702 1 363 . 1 1 47 47 LYS CA C 13 58.137 0.400 . 1 . . . A 51 LYS CA . 17702 1 364 . 1 1 47 47 LYS CB C 13 32.007 0.400 . 1 . . . A 51 LYS CB . 17702 1 365 . 1 1 47 47 LYS CG C 13 24.932 0.400 . 1 . . . A 51 LYS CG . 17702 1 366 . 1 1 47 47 LYS N N 15 115.061 0.400 . 1 . . . A 51 LYS N . 17702 1 367 . 1 1 48 48 GLU H H 1 7.728 0.020 . 1 . . . A 52 GLU H . 17702 1 368 . 1 1 48 48 GLU HA H 1 3.848 0.020 . 1 . . . A 52 GLU HA . 17702 1 369 . 1 1 48 48 GLU HB2 H 1 1.456 0.020 . 2 . . . A 52 GLU HB2 . 17702 1 370 . 1 1 48 48 GLU HB3 H 1 1.456 0.020 . 2 . . . A 52 GLU HB3 . 17702 1 371 . 1 1 48 48 GLU HG2 H 1 1.560 0.020 . 2 . . . A 52 GLU HG2 . 17702 1 372 . 1 1 48 48 GLU HG3 H 1 1.560 0.020 . 2 . . . A 52 GLU HG3 . 17702 1 373 . 1 1 48 48 GLU CA C 13 58.143 0.400 . 1 . . . A 52 GLU CA . 17702 1 374 . 1 1 48 48 GLU CB C 13 29.008 0.400 . 1 . . . A 52 GLU CB . 17702 1 375 . 1 1 48 48 GLU CG C 13 35.320 0.400 . 1 . . . A 52 GLU CG . 17702 1 376 . 1 1 48 48 GLU N N 15 120.591 0.400 . 1 . . . A 52 GLU N . 17702 1 377 . 1 1 49 49 ILE H H 1 7.076 0.020 . 1 . . . A 53 ILE H . 17702 1 378 . 1 1 49 49 ILE HA H 1 4.275 0.020 . 1 . . . A 53 ILE HA . 17702 1 379 . 1 1 49 49 ILE HB H 1 1.802 0.020 . 1 . . . A 53 ILE HB . 17702 1 380 . 1 1 49 49 ILE HG21 H 1 0.433 0.020 . 1 . . . A 53 ILE HG21 . 17702 1 381 . 1 1 49 49 ILE HG22 H 1 0.433 0.020 . 1 . . . A 53 ILE HG22 . 17702 1 382 . 1 1 49 49 ILE HG23 H 1 0.433 0.020 . 1 . . . A 53 ILE HG23 . 17702 1 383 . 1 1 49 49 ILE CA C 13 60.409 0.400 . 1 . . . A 53 ILE CA . 17702 1 384 . 1 1 49 49 ILE CB C 13 37.080 0.400 . 1 . . . A 53 ILE CB . 17702 1 385 . 1 1 49 49 ILE CG2 C 13 18.065 0.400 . 1 . . . A 53 ILE CG2 . 17702 1 386 . 1 1 49 49 ILE N N 15 110.048 0.400 . 1 . . . A 53 ILE N . 17702 1 387 . 1 1 50 50 GLU H H 1 7.064 0.020 . 1 . . . A 54 GLU H . 17702 1 388 . 1 1 50 50 GLU HA H 1 4.013 0.020 . 1 . . . A 54 GLU HA . 17702 1 389 . 1 1 50 50 GLU HB2 H 1 2.136 0.020 . 2 . . . A 54 GLU HB2 . 17702 1 390 . 1 1 50 50 GLU HB3 H 1 2.136 0.020 . 2 . . . A 54 GLU HB3 . 17702 1 391 . 1 1 50 50 GLU CA C 13 58.957 0.400 . 1 . . . A 54 GLU CA . 17702 1 392 . 1 1 50 50 GLU CB C 13 29.393 0.400 . 1 . . . A 54 GLU CB . 17702 1 393 . 1 1 50 50 GLU N N 15 122.242 0.400 . 1 . . . A 54 GLU N . 17702 1 394 . 1 1 51 51 SER H H 1 8.244 0.020 . 1 . . . A 55 SER H . 17702 1 395 . 1 1 51 51 SER HA H 1 4.267 0.020 . 1 . . . A 55 SER HA . 17702 1 396 . 1 1 51 51 SER HB2 H 1 3.858 0.020 . 2 . . . A 55 SER HB2 . 17702 1 397 . 1 1 51 51 SER HB3 H 1 3.954 0.020 . 2 . . . A 55 SER HB3 . 17702 1 398 . 1 1 51 51 SER CA C 13 60.147 0.400 . 1 . . . A 55 SER CA . 17702 1 399 . 1 1 51 51 SER CB C 13 63.137 0.400 . 1 . . . A 55 SER CB . 17702 1 400 . 1 1 51 51 SER N N 15 111.806 0.400 . 1 . . . A 55 SER N . 17702 1 401 . 1 1 52 52 GLU H H 1 8.294 0.020 . 1 . . . A 56 GLU H . 17702 1 402 . 1 1 52 52 GLU HA H 1 4.380 0.020 . 1 . . . A 56 GLU HA . 17702 1 403 . 1 1 52 52 GLU HB2 H 1 1.989 0.020 . 2 . . . A 56 GLU HB2 . 17702 1 404 . 1 1 52 52 GLU HB3 H 1 1.989 0.020 . 2 . . . A 56 GLU HB3 . 17702 1 405 . 1 1 52 52 GLU HG2 H 1 2.212 0.020 . 2 . . . A 56 GLU HG2 . 17702 1 406 . 1 1 52 52 GLU HG3 H 1 2.212 0.020 . 2 . . . A 56 GLU HG3 . 17702 1 407 . 1 1 52 52 GLU CA C 13 56.167 0.400 . 1 . . . A 56 GLU CA . 17702 1 408 . 1 1 52 52 GLU CB C 13 30.240 0.400 . 1 . . . A 56 GLU CB . 17702 1 409 . 1 1 52 52 GLU CG C 13 36.450 0.400 . 1 . . . A 56 GLU CG . 17702 1 410 . 1 1 52 52 GLU N N 15 119.222 0.400 . 1 . . . A 56 GLU N . 17702 1 411 . 1 1 53 53 ILE H H 1 7.521 0.020 . 1 . . . A 57 ILE H . 17702 1 412 . 1 1 53 53 ILE HA H 1 4.111 0.020 . 1 . . . A 57 ILE HA . 17702 1 413 . 1 1 53 53 ILE HB H 1 1.970 0.020 . 1 . . . A 57 ILE HB . 17702 1 414 . 1 1 53 53 ILE HG21 H 1 0.908 0.020 . 1 . . . A 57 ILE HG21 . 17702 1 415 . 1 1 53 53 ILE HG22 H 1 0.908 0.020 . 1 . . . A 57 ILE HG22 . 17702 1 416 . 1 1 53 53 ILE HG23 H 1 0.908 0.020 . 1 . . . A 57 ILE HG23 . 17702 1 417 . 1 1 53 53 ILE HD11 H 1 0.837 0.020 . 1 . . . A 57 ILE HD11 . 17702 1 418 . 1 1 53 53 ILE HD12 H 1 0.837 0.020 . 1 . . . A 57 ILE HD12 . 17702 1 419 . 1 1 53 53 ILE HD13 H 1 0.837 0.020 . 1 . . . A 57 ILE HD13 . 17702 1 420 . 1 1 53 53 ILE CA C 13 61.263 0.400 . 1 . . . A 57 ILE CA . 17702 1 421 . 1 1 53 53 ILE CB C 13 38.655 0.400 . 1 . . . A 57 ILE CB . 17702 1 422 . 1 1 53 53 ILE CG2 C 13 19.946 0.400 . 1 . . . A 57 ILE CG2 . 17702 1 423 . 1 1 53 53 ILE CD1 C 13 14.144 0.400 . 1 . . . A 57 ILE CD1 . 17702 1 424 . 1 1 53 53 ILE N N 15 119.330 0.400 . 1 . . . A 57 ILE N . 17702 1 425 . 1 1 54 54 ASP H H 1 8.595 0.020 . 1 . . . A 58 ASP H . 17702 1 426 . 1 1 54 54 ASP HA H 1 4.823 0.020 . 1 . . . A 58 ASP HA . 17702 1 427 . 1 1 54 54 ASP HB2 H 1 2.697 0.020 . 2 . . . A 58 ASP HB2 . 17702 1 428 . 1 1 54 54 ASP HB3 H 1 2.771 0.020 . 2 . . . A 58 ASP HB3 . 17702 1 429 . 1 1 54 54 ASP CA C 13 54.359 0.400 . 1 . . . A 58 ASP CA . 17702 1 430 . 1 1 54 54 ASP CB C 13 42.306 0.400 . 1 . . . A 58 ASP CB . 17702 1 431 . 1 1 54 54 ASP N N 15 123.972 0.400 . 1 . . . A 58 ASP N . 17702 1 432 . 1 1 55 55 SER H H 1 7.551 0.020 . 1 . . . A 59 SER H . 17702 1 433 . 1 1 55 55 SER HA H 1 4.776 0.020 . 1 . . . A 59 SER HA . 17702 1 434 . 1 1 55 55 SER HB2 H 1 4.259 0.020 . 2 . . . A 59 SER HB2 . 17702 1 435 . 1 1 55 55 SER HB3 H 1 4.035 0.020 . 2 . . . A 59 SER HB3 . 17702 1 436 . 1 1 55 55 SER CA C 13 57.195 0.400 . 1 . . . A 59 SER CA . 17702 1 437 . 1 1 55 55 SER CB C 13 65.948 0.400 . 1 . . . A 59 SER CB . 17702 1 438 . 1 1 55 55 SER N N 15 111.368 0.400 . 1 . . . A 59 SER N . 17702 1 439 . 1 1 56 56 GLU H H 1 9.019 0.020 . 1 . . . A 60 GLU H . 17702 1 440 . 1 1 56 56 GLU HA H 1 4.079 0.020 . 1 . . . A 60 GLU HA . 17702 1 441 . 1 1 56 56 GLU HB2 H 1 2.110 0.020 . 2 . . . A 60 GLU HB2 . 17702 1 442 . 1 1 56 56 GLU HB3 H 1 2.110 0.020 . 2 . . . A 60 GLU HB3 . 17702 1 443 . 1 1 56 56 GLU CA C 13 59.547 0.400 . 1 . . . A 60 GLU CA . 17702 1 444 . 1 1 56 56 GLU CB C 13 29.547 0.400 . 1 . . . A 60 GLU CB . 17702 1 445 . 1 1 56 56 GLU N N 15 122.920 0.400 . 1 . . . A 60 GLU N . 17702 1 446 . 1 1 57 57 GLU H H 1 8.704 0.020 . 1 . . . A 61 GLU H . 17702 1 447 . 1 1 57 57 GLU HA H 1 4.022 0.020 . 1 . . . A 61 GLU HA . 17702 1 448 . 1 1 57 57 GLU HB2 H 1 2.012 0.020 . 2 . . . A 61 GLU HB2 . 17702 1 449 . 1 1 57 57 GLU HB3 H 1 2.114 0.020 . 2 . . . A 61 GLU HB3 . 17702 1 450 . 1 1 57 57 GLU HG2 H 1 2.362 0.020 . 2 . . . A 61 GLU HG2 . 17702 1 451 . 1 1 57 57 GLU HG3 H 1 2.362 0.020 . 2 . . . A 61 GLU HG3 . 17702 1 452 . 1 1 57 57 GLU CA C 13 59.950 0.400 . 1 . . . A 61 GLU CA . 17702 1 453 . 1 1 57 57 GLU CB C 13 29.410 0.400 . 1 . . . A 61 GLU CB . 17702 1 454 . 1 1 57 57 GLU CG C 13 36.785 0.400 . 1 . . . A 61 GLU CG . 17702 1 455 . 1 1 57 57 GLU N N 15 118.001 0.400 . 1 . . . A 61 GLU N . 17702 1 456 . 1 1 58 58 GLU H H 1 7.863 0.020 . 1 . . . A 62 GLU H . 17702 1 457 . 1 1 58 58 GLU HA H 1 4.289 0.020 . 1 . . . A 62 GLU HA . 17702 1 458 . 1 1 58 58 GLU HB2 H 1 2.121 0.020 . 2 . . . A 62 GLU HB2 . 17702 1 459 . 1 1 58 58 GLU HB3 H 1 2.121 0.020 . 2 . . . A 62 GLU HB3 . 17702 1 460 . 1 1 58 58 GLU HG2 H 1 2.333 0.020 . 2 . . . A 62 GLU HG2 . 17702 1 461 . 1 1 58 58 GLU HG3 H 1 2.450 0.020 . 2 . . . A 62 GLU HG3 . 17702 1 462 . 1 1 58 58 GLU CA C 13 58.636 0.400 . 1 . . . A 62 GLU CA . 17702 1 463 . 1 1 58 58 GLU CB C 13 30.075 0.400 . 1 . . . A 62 GLU CB . 17702 1 464 . 1 1 58 58 GLU CG C 13 36.732 0.400 . 1 . . . A 62 GLU CG . 17702 1 465 . 1 1 58 58 GLU N N 15 118.849 0.400 . 1 . . . A 62 GLU N . 17702 1 466 . 1 1 59 59 LEU H H 1 7.886 0.020 . 1 . . . A 63 LEU H . 17702 1 467 . 1 1 59 59 LEU HA H 1 3.976 0.020 . 1 . . . A 63 LEU HA . 17702 1 468 . 1 1 59 59 LEU HB2 H 1 1.688 0.020 . 2 . . . A 63 LEU HB2 . 17702 1 469 . 1 1 59 59 LEU HB3 H 1 1.688 0.020 . 2 . . . A 63 LEU HB3 . 17702 1 470 . 1 1 59 59 LEU HD11 H 1 0.970 0.020 . 2 . . . A 63 LEU HD11 . 17702 1 471 . 1 1 59 59 LEU HD12 H 1 0.970 0.020 . 2 . . . A 63 LEU HD12 . 17702 1 472 . 1 1 59 59 LEU HD13 H 1 0.970 0.020 . 2 . . . A 63 LEU HD13 . 17702 1 473 . 1 1 59 59 LEU HD21 H 1 0.970 0.020 . 2 . . . A 63 LEU HD21 . 17702 1 474 . 1 1 59 59 LEU HD22 H 1 0.970 0.020 . 2 . . . A 63 LEU HD22 . 17702 1 475 . 1 1 59 59 LEU HD23 H 1 0.970 0.020 . 2 . . . A 63 LEU HD23 . 17702 1 476 . 1 1 59 59 LEU CA C 13 59.050 0.400 . 1 . . . A 63 LEU CA . 17702 1 477 . 1 1 59 59 LEU CB C 13 41.601 0.400 . 1 . . . A 63 LEU CB . 17702 1 478 . 1 1 59 59 LEU CD1 C 13 25.711 0.400 . 1 . . . A 63 LEU CD1 . 17702 1 479 . 1 1 59 59 LEU N N 15 121.567 0.400 . 1 . . . A 63 LEU N . 17702 1 480 . 1 1 60 60 ILE H H 1 8.076 0.020 . 1 . . . A 64 ILE H . 17702 1 481 . 1 1 60 60 ILE HA H 1 3.701 0.020 . 1 . . . A 64 ILE HA . 17702 1 482 . 1 1 60 60 ILE HB H 1 2.009 0.020 . 1 . . . A 64 ILE HB . 17702 1 483 . 1 1 60 60 ILE HG21 H 1 0.939 0.020 . 1 . . . A 64 ILE HG21 . 17702 1 484 . 1 1 60 60 ILE HG22 H 1 0.939 0.020 . 1 . . . A 64 ILE HG22 . 17702 1 485 . 1 1 60 60 ILE HG23 H 1 0.939 0.020 . 1 . . . A 64 ILE HG23 . 17702 1 486 . 1 1 60 60 ILE HD11 H 1 0.896 0.020 . 1 . . . A 64 ILE HD11 . 17702 1 487 . 1 1 60 60 ILE HD12 H 1 0.896 0.020 . 1 . . . A 64 ILE HD12 . 17702 1 488 . 1 1 60 60 ILE HD13 H 1 0.896 0.020 . 1 . . . A 64 ILE HD13 . 17702 1 489 . 1 1 60 60 ILE CA C 13 64.525 0.400 . 1 . . . A 64 ILE CA . 17702 1 490 . 1 1 60 60 ILE CB C 13 37.725 0.400 . 1 . . . A 64 ILE CB . 17702 1 491 . 1 1 60 60 ILE CG2 C 13 17.763 0.400 . 1 . . . A 64 ILE CG2 . 17702 1 492 . 1 1 60 60 ILE CD1 C 13 13.278 0.400 . 1 . . . A 64 ILE CD1 . 17702 1 493 . 1 1 60 60 ILE N N 15 117.805 0.400 . 1 . . . A 64 ILE N . 17702 1 494 . 1 1 61 61 ASN H H 1 7.883 0.020 . 1 . . . A 65 ASN H . 17702 1 495 . 1 1 61 61 ASN HA H 1 4.514 0.020 . 1 . . . A 65 ASN HA . 17702 1 496 . 1 1 61 61 ASN HB2 H 1 2.904 0.020 . 2 . . . A 65 ASN HB2 . 17702 1 497 . 1 1 61 61 ASN HB3 H 1 2.994 0.020 . 2 . . . A 65 ASN HB3 . 17702 1 498 . 1 1 61 61 ASN CA C 13 56.576 0.400 . 1 . . . A 65 ASN CA . 17702 1 499 . 1 1 61 61 ASN CB C 13 38.598 0.400 . 1 . . . A 65 ASN CB . 17702 1 500 . 1 1 61 61 ASN N N 15 117.976 0.400 . 1 . . . A 65 ASN N . 17702 1 501 . 1 1 62 62 LYS H H 1 8.592 0.020 . 1 . . . A 66 LYS H . 17702 1 502 . 1 1 62 62 LYS HA H 1 4.105 0.020 . 1 . . . A 66 LYS HA . 17702 1 503 . 1 1 62 62 LYS HB2 H 1 1.762 0.020 . 2 . . . A 66 LYS HB2 . 17702 1 504 . 1 1 62 62 LYS HB3 H 1 1.762 0.020 . 2 . . . A 66 LYS HB3 . 17702 1 505 . 1 1 62 62 LYS HD2 H 1 1.723 0.020 . 2 . . . A 66 LYS HD2 . 17702 1 506 . 1 1 62 62 LYS HD3 H 1 1.723 0.020 . 2 . . . A 66 LYS HD3 . 17702 1 507 . 1 1 62 62 LYS CA C 13 58.605 0.400 . 1 . . . A 66 LYS CA . 17702 1 508 . 1 1 62 62 LYS CB C 13 32.026 0.400 . 1 . . . A 66 LYS CB . 17702 1 509 . 1 1 62 62 LYS CD C 13 29.059 0.400 . 1 . . . A 66 LYS CD . 17702 1 510 . 1 1 62 62 LYS N N 15 118.172 0.400 . 1 . . . A 66 LYS N . 17702 1 511 . 1 1 63 63 LYS H H 1 8.651 0.020 . 1 . . . A 67 LYS H . 17702 1 512 . 1 1 63 63 LYS HA H 1 3.931 0.020 . 1 . . . A 67 LYS HA . 17702 1 513 . 1 1 63 63 LYS HB2 H 1 2.136 0.020 . 2 . . . A 67 LYS HB2 . 17702 1 514 . 1 1 63 63 LYS HB3 H 1 2.136 0.020 . 2 . . . A 67 LYS HB3 . 17702 1 515 . 1 1 63 63 LYS CA C 13 60.358 0.400 . 1 . . . A 67 LYS CA . 17702 1 516 . 1 1 63 63 LYS CB C 13 32.837 0.400 . 1 . . . A 67 LYS CB . 17702 1 517 . 1 1 63 63 LYS N N 15 120.585 0.400 . 1 . . . A 67 LYS N . 17702 1 518 . 1 1 64 64 ARG H H 1 8.059 0.020 . 1 . . . A 68 ARG H . 17702 1 519 . 1 1 64 64 ARG HA H 1 4.178 0.020 . 1 . . . A 68 ARG HA . 17702 1 520 . 1 1 64 64 ARG CA C 13 59.334 0.400 . 1 . . . A 68 ARG CA . 17702 1 521 . 1 1 64 64 ARG N N 15 116.611 0.400 . 1 . . . A 68 ARG N . 17702 1 522 . 1 1 65 65 ILE H H 1 7.921 0.020 . 1 . . . A 69 ILE H . 17702 1 523 . 1 1 65 65 ILE HA H 1 3.744 0.020 . 1 . . . A 69 ILE HA . 17702 1 524 . 1 1 65 65 ILE HB H 1 1.684 0.020 . 1 . . . A 69 ILE HB . 17702 1 525 . 1 1 65 65 ILE HG21 H 1 0.643 0.020 . 1 . . . A 69 ILE HG21 . 17702 1 526 . 1 1 65 65 ILE HG22 H 1 0.643 0.020 . 1 . . . A 69 ILE HG22 . 17702 1 527 . 1 1 65 65 ILE HG23 H 1 0.643 0.020 . 1 . . . A 69 ILE HG23 . 17702 1 528 . 1 1 65 65 ILE HD11 H 1 0.797 0.020 . 1 . . . A 69 ILE HD11 . 17702 1 529 . 1 1 65 65 ILE HD12 H 1 0.797 0.020 . 1 . . . A 69 ILE HD12 . 17702 1 530 . 1 1 65 65 ILE HD13 H 1 0.797 0.020 . 1 . . . A 69 ILE HD13 . 17702 1 531 . 1 1 65 65 ILE CA C 13 65.258 0.400 . 1 . . . A 69 ILE CA . 17702 1 532 . 1 1 65 65 ILE CB C 13 37.850 0.400 . 1 . . . A 69 ILE CB . 17702 1 533 . 1 1 65 65 ILE CG2 C 13 18.652 0.400 . 1 . . . A 69 ILE CG2 . 17702 1 534 . 1 1 65 65 ILE CD1 C 13 14.577 0.400 . 1 . . . A 69 ILE CD1 . 17702 1 535 . 1 1 65 65 ILE N N 15 118.775 0.400 . 1 . . . A 69 ILE N . 17702 1 536 . 1 1 66 66 ILE H H 1 8.341 0.020 . 1 . . . A 70 ILE H . 17702 1 537 . 1 1 66 66 ILE HA H 1 3.901 0.020 . 1 . . . A 70 ILE HA . 17702 1 538 . 1 1 66 66 ILE HB H 1 1.762 0.020 . 1 . . . A 70 ILE HB . 17702 1 539 . 1 1 66 66 ILE HG21 H 1 1.206 0.020 . 1 . . . A 70 ILE HG21 . 17702 1 540 . 1 1 66 66 ILE HG22 H 1 1.206 0.020 . 1 . . . A 70 ILE HG22 . 17702 1 541 . 1 1 66 66 ILE HG23 H 1 1.206 0.020 . 1 . . . A 70 ILE HG23 . 17702 1 542 . 1 1 66 66 ILE HD11 H 1 0.412 0.020 . 1 . . . A 70 ILE HD11 . 17702 1 543 . 1 1 66 66 ILE HD12 H 1 0.412 0.020 . 1 . . . A 70 ILE HD12 . 17702 1 544 . 1 1 66 66 ILE HD13 H 1 0.412 0.020 . 1 . . . A 70 ILE HD13 . 17702 1 545 . 1 1 66 66 ILE CA C 13 62.723 0.400 . 1 . . . A 70 ILE CA . 17702 1 546 . 1 1 66 66 ILE CB C 13 37.267 0.400 . 1 . . . A 70 ILE CB . 17702 1 547 . 1 1 66 66 ILE CG2 C 13 20.707 0.400 . 1 . . . A 70 ILE CG2 . 17702 1 548 . 1 1 66 66 ILE CD1 C 13 14.411 0.400 . 1 . . . A 70 ILE CD1 . 17702 1 549 . 1 1 66 66 ILE N N 15 118.478 0.400 . 1 . . . A 70 ILE N . 17702 1 550 . 1 1 67 67 GLU H H 1 8.360 0.020 . 1 . . . A 71 GLU H . 17702 1 551 . 1 1 67 67 GLU HA H 1 3.875 0.020 . 1 . . . A 71 GLU HA . 17702 1 552 . 1 1 67 67 GLU HB2 H 1 2.146 0.020 . 2 . . . A 71 GLU HB2 . 17702 1 553 . 1 1 67 67 GLU HB3 H 1 2.146 0.020 . 2 . . . A 71 GLU HB3 . 17702 1 554 . 1 1 67 67 GLU CA C 13 60.748 0.400 . 1 . . . A 71 GLU CA . 17702 1 555 . 1 1 67 67 GLU CB C 13 29.448 0.400 . 1 . . . A 71 GLU CB . 17702 1 556 . 1 1 67 67 GLU N N 15 120.865 0.400 . 1 . . . A 71 GLU N . 17702 1 557 . 1 1 68 68 LYS H H 1 8.057 0.020 . 1 . . . A 72 LYS H . 17702 1 558 . 1 1 68 68 LYS HA H 1 4.256 0.020 . 1 . . . A 72 LYS HA . 17702 1 559 . 1 1 68 68 LYS HB2 H 1 2.154 0.020 . 2 . . . A 72 LYS HB2 . 17702 1 560 . 1 1 68 68 LYS HB3 H 1 2.154 0.020 . 2 . . . A 72 LYS HB3 . 17702 1 561 . 1 1 68 68 LYS CA C 13 59.631 0.400 . 1 . . . A 72 LYS CA . 17702 1 562 . 1 1 68 68 LYS CB C 13 32.296 0.400 . 1 . . . A 72 LYS CB . 17702 1 563 . 1 1 68 68 LYS N N 15 121.132 0.400 . 1 . . . A 72 LYS N . 17702 1 564 . 1 1 69 69 VAL H H 1 8.594 0.020 . 1 . . . A 73 VAL H . 17702 1 565 . 1 1 69 69 VAL HA H 1 3.735 0.020 . 1 . . . A 73 VAL HA . 17702 1 566 . 1 1 69 69 VAL HG11 H 1 0.841 0.020 . 2 . . . A 73 VAL HG11 . 17702 1 567 . 1 1 69 69 VAL HG12 H 1 0.841 0.020 . 2 . . . A 73 VAL HG12 . 17702 1 568 . 1 1 69 69 VAL HG13 H 1 0.841 0.020 . 2 . . . A 73 VAL HG13 . 17702 1 569 . 1 1 69 69 VAL HG21 H 1 1.164 0.020 . 2 . . . A 73 VAL HG21 . 17702 1 570 . 1 1 69 69 VAL HG22 H 1 1.164 0.020 . 2 . . . A 73 VAL HG22 . 17702 1 571 . 1 1 69 69 VAL HG23 H 1 1.164 0.020 . 2 . . . A 73 VAL HG23 . 17702 1 572 . 1 1 69 69 VAL CA C 13 67.502 0.400 . 1 . . . A 73 VAL CA . 17702 1 573 . 1 1 69 69 VAL CG1 C 13 21.576 0.400 . 1 . . . A 73 VAL CG1 . 17702 1 574 . 1 1 69 69 VAL CG2 C 13 24.435 0.400 . 1 . . . A 73 VAL CG2 . 17702 1 575 . 1 1 69 69 VAL N N 15 121.358 0.400 . 1 . . . A 73 VAL N . 17702 1 576 . 1 1 70 70 ILE HA H 1 3.493 0.020 . 1 . . . A 74 ILE HA . 17702 1 577 . 1 1 70 70 ILE HD11 H 1 0.791 0.020 . 1 . . . A 74 ILE HD11 . 17702 1 578 . 1 1 70 70 ILE HD12 H 1 0.791 0.020 . 1 . . . A 74 ILE HD12 . 17702 1 579 . 1 1 70 70 ILE HD13 H 1 0.791 0.020 . 1 . . . A 74 ILE HD13 . 17702 1 580 . 1 1 70 70 ILE CA C 13 66.150 0.400 . 1 . . . A 74 ILE CA . 17702 1 581 . 1 1 70 70 ILE CD1 C 13 15.810 0.400 . 1 . . . A 74 ILE CD1 . 17702 1 582 . 1 1 71 71 HIS H H 1 8.372 0.020 . 1 . . . A 75 HIS H . 17702 1 583 . 1 1 71 71 HIS HA H 1 4.434 0.020 . 1 . . . A 75 HIS HA . 17702 1 584 . 1 1 71 71 HIS HB2 H 1 3.359 0.020 . 2 . . . A 75 HIS HB2 . 17702 1 585 . 1 1 71 71 HIS HB3 H 1 3.469 0.020 . 2 . . . A 75 HIS HB3 . 17702 1 586 . 1 1 71 71 HIS HD2 H 1 7.111 0.020 . 1 . . . A 75 HIS HD2 . 17702 1 587 . 1 1 71 71 HIS HE1 H 1 7.709 0.020 . 1 . . . A 75 HIS HE1 . 17702 1 588 . 1 1 71 71 HIS CA C 13 61.126 0.400 . 1 . . . A 75 HIS CA . 17702 1 589 . 1 1 71 71 HIS CB C 13 30.587 0.400 . 1 . . . A 75 HIS CB . 17702 1 590 . 1 1 71 71 HIS CD2 C 13 119.624 0.400 . 1 . . . A 75 HIS CD2 . 17702 1 591 . 1 1 71 71 HIS CE1 C 13 138.389 0.400 . 1 . . . A 75 HIS CE1 . 17702 1 592 . 1 1 71 71 HIS N N 15 121.155 0.400 . 1 . . . A 75 HIS N . 17702 1 593 . 1 1 72 72 ARG H H 1 8.426 0.020 . 1 . . . A 76 ARG H . 17702 1 594 . 1 1 72 72 ARG HA H 1 4.141 0.020 . 1 . . . A 76 ARG HA . 17702 1 595 . 1 1 72 72 ARG HB2 H 1 2.096 0.020 . 2 . . . A 76 ARG HB2 . 17702 1 596 . 1 1 72 72 ARG HB3 H 1 2.096 0.020 . 2 . . . A 76 ARG HB3 . 17702 1 597 . 1 1 72 72 ARG CA C 13 60.100 0.400 . 1 . . . A 76 ARG CA . 17702 1 598 . 1 1 72 72 ARG CB C 13 30.298 0.400 . 1 . . . A 76 ARG CB . 17702 1 599 . 1 1 72 72 ARG N N 15 120.709 0.400 . 1 . . . A 76 ARG N . 17702 1 600 . 1 1 73 73 LEU H H 1 9.153 0.020 . 1 . . . A 77 LEU H . 17702 1 601 . 1 1 73 73 LEU HA H 1 4.288 0.020 . 1 . . . A 77 LEU HA . 17702 1 602 . 1 1 73 73 LEU HB2 H 1 2.091 0.020 . 2 . . . A 77 LEU HB2 . 17702 1 603 . 1 1 73 73 LEU HB3 H 1 2.091 0.020 . 2 . . . A 77 LEU HB3 . 17702 1 604 . 1 1 73 73 LEU HD11 H 1 0.864 0.020 . 2 . . . A 77 LEU HD11 . 17702 1 605 . 1 1 73 73 LEU HD12 H 1 0.864 0.020 . 2 . . . A 77 LEU HD12 . 17702 1 606 . 1 1 73 73 LEU HD13 H 1 0.864 0.020 . 2 . . . A 77 LEU HD13 . 17702 1 607 . 1 1 73 73 LEU HD21 H 1 0.728 0.020 . 2 . . . A 77 LEU HD21 . 17702 1 608 . 1 1 73 73 LEU HD22 H 1 0.728 0.020 . 2 . . . A 77 LEU HD22 . 17702 1 609 . 1 1 73 73 LEU HD23 H 1 0.728 0.020 . 2 . . . A 77 LEU HD23 . 17702 1 610 . 1 1 73 73 LEU CA C 13 57.960 0.400 . 1 . . . A 77 LEU CA . 17702 1 611 . 1 1 73 73 LEU CB C 13 43.583 0.400 . 1 . . . A 77 LEU CB . 17702 1 612 . 1 1 73 73 LEU CD1 C 13 23.122 0.400 . 1 . . . A 77 LEU CD1 . 17702 1 613 . 1 1 73 73 LEU CD2 C 13 26.702 0.400 . 1 . . . A 77 LEU CD2 . 17702 1 614 . 1 1 73 73 LEU N N 15 120.335 0.400 . 1 . . . A 77 LEU N . 17702 1 615 . 1 1 74 74 THR H H 1 7.887 0.020 . 1 . . . A 78 THR H . 17702 1 616 . 1 1 74 74 THR HA H 1 4.476 0.020 . 1 . . . A 78 THR HA . 17702 1 617 . 1 1 74 74 THR HG21 H 1 0.683 0.020 . 1 . . . A 78 THR HG21 . 17702 1 618 . 1 1 74 74 THR HG22 H 1 0.683 0.020 . 1 . . . A 78 THR HG22 . 17702 1 619 . 1 1 74 74 THR HG23 H 1 0.683 0.020 . 1 . . . A 78 THR HG23 . 17702 1 620 . 1 1 74 74 THR CA C 13 64.323 0.400 . 1 . . . A 78 THR CA . 17702 1 621 . 1 1 74 74 THR CB C 13 69.796 0.400 . 1 . . . A 78 THR CB . 17702 1 622 . 1 1 74 74 THR CG2 C 13 21.325 0.400 . 1 . . . A 78 THR CG2 . 17702 1 623 . 1 1 74 74 THR N N 15 112.289 0.400 . 1 . . . A 78 THR N . 17702 1 624 . 1 1 75 75 HIS H H 1 8.363 0.020 . 1 . . . A 79 HIS H . 17702 1 625 . 1 1 75 75 HIS HA H 1 4.399 0.020 . 1 . . . A 79 HIS HA . 17702 1 626 . 1 1 75 75 HIS HB2 H 1 2.429 0.020 . 2 . . . A 79 HIS HB2 . 17702 1 627 . 1 1 75 75 HIS HB3 H 1 2.952 0.020 . 2 . . . A 79 HIS HB3 . 17702 1 628 . 1 1 75 75 HIS HD2 H 1 7.230 0.020 . 1 . . . A 79 HIS HD2 . 17702 1 629 . 1 1 75 75 HIS HE1 H 1 8.041 0.020 . 1 . . . A 79 HIS HE1 . 17702 1 630 . 1 1 75 75 HIS CA C 13 58.384 0.400 . 1 . . . A 79 HIS CA . 17702 1 631 . 1 1 75 75 HIS CB C 13 30.484 0.400 . 1 . . . A 79 HIS CB . 17702 1 632 . 1 1 75 75 HIS CD2 C 13 120.011 0.400 . 1 . . . A 79 HIS CD2 . 17702 1 633 . 1 1 75 75 HIS CE1 C 13 136.912 0.400 . 1 . . . A 79 HIS CE1 . 17702 1 634 . 1 1 75 75 HIS N N 15 115.654 0.400 . 1 . . . A 79 HIS N . 17702 1 635 . 1 1 76 76 TYR HA H 1 4.725 0.020 . 1 . . . A 80 TYR HA . 17702 1 636 . 1 1 76 76 TYR HB2 H 1 3.208 0.020 . 2 . . . A 80 TYR HB2 . 17702 1 637 . 1 1 76 76 TYR HB3 H 1 3.103 0.020 . 2 . . . A 80 TYR HB3 . 17702 1 638 . 1 1 76 76 TYR CA C 13 59.155 0.400 . 1 . . . A 80 TYR CA . 17702 1 639 . 1 1 76 76 TYR CB C 13 39.218 0.400 . 1 . . . A 80 TYR CB . 17702 1 640 . 1 1 77 77 ASP H H 1 8.233 0.020 . 1 . . . A 81 ASP H . 17702 1 641 . 1 1 77 77 ASP HA H 1 4.686 0.020 . 1 . . . A 81 ASP HA . 17702 1 642 . 1 1 77 77 ASP HB2 H 1 3.089 0.020 . 2 . . . A 81 ASP HB2 . 17702 1 643 . 1 1 77 77 ASP HB3 H 1 3.089 0.020 . 2 . . . A 81 ASP HB3 . 17702 1 644 . 1 1 77 77 ASP CA C 13 55.846 0.400 . 1 . . . A 81 ASP CA . 17702 1 645 . 1 1 77 77 ASP CB C 13 42.154 0.400 . 1 . . . A 81 ASP CB . 17702 1 646 . 1 1 77 77 ASP N N 15 115.629 0.400 . 1 . . . A 81 ASP N . 17702 1 647 . 1 1 78 78 HIS H H 1 6.706 0.020 . 1 . . . A 82 HIS H . 17702 1 648 . 1 1 78 78 HIS HA H 1 4.507 0.020 . 1 . . . A 82 HIS HA . 17702 1 649 . 1 1 78 78 HIS HB2 H 1 3.396 0.020 . 2 . . . A 82 HIS HB2 . 17702 1 650 . 1 1 78 78 HIS HB3 H 1 3.459 0.020 . 2 . . . A 82 HIS HB3 . 17702 1 651 . 1 1 78 78 HIS HD2 H 1 7.200 0.020 . 1 . . . A 82 HIS HD2 . 17702 1 652 . 1 1 78 78 HIS HE1 H 1 8.513 0.020 . 1 . . . A 82 HIS HE1 . 17702 1 653 . 1 1 78 78 HIS CA C 13 56.966 0.400 . 1 . . . A 82 HIS CA . 17702 1 654 . 1 1 78 78 HIS CB C 13 26.129 0.400 . 1 . . . A 82 HIS CB . 17702 1 655 . 1 1 78 78 HIS CD2 C 13 119.923 0.400 . 1 . . . A 82 HIS CD2 . 17702 1 656 . 1 1 78 78 HIS CE1 C 13 136.126 0.400 . 1 . . . A 82 HIS CE1 . 17702 1 657 . 1 1 78 78 HIS N N 15 109.441 0.400 . 1 . . . A 82 HIS N . 17702 1 658 . 1 1 79 79 VAL H H 1 8.199 0.020 . 1 . . . A 83 VAL H . 17702 1 659 . 1 1 79 79 VAL HA H 1 3.601 0.020 . 1 . . . A 83 VAL HA . 17702 1 660 . 1 1 79 79 VAL HB H 1 2.087 0.020 . 1 . . . A 83 VAL HB . 17702 1 661 . 1 1 79 79 VAL HG11 H 1 0.464 0.020 . 2 . . . A 83 VAL HG11 . 17702 1 662 . 1 1 79 79 VAL HG12 H 1 0.464 0.020 . 2 . . . A 83 VAL HG12 . 17702 1 663 . 1 1 79 79 VAL HG13 H 1 0.464 0.020 . 2 . . . A 83 VAL HG13 . 17702 1 664 . 1 1 79 79 VAL HG21 H 1 0.691 0.020 . 2 . . . A 83 VAL HG21 . 17702 1 665 . 1 1 79 79 VAL HG22 H 1 0.691 0.020 . 2 . . . A 83 VAL HG22 . 17702 1 666 . 1 1 79 79 VAL HG23 H 1 0.691 0.020 . 2 . . . A 83 VAL HG23 . 17702 1 667 . 1 1 79 79 VAL CA C 13 64.878 0.400 . 1 . . . A 83 VAL CA . 17702 1 668 . 1 1 79 79 VAL CB C 13 33.854 0.400 . 1 . . . A 83 VAL CB . 17702 1 669 . 1 1 79 79 VAL CG1 C 13 21.402 0.400 . 1 . . . A 83 VAL CG1 . 17702 1 670 . 1 1 79 79 VAL CG2 C 13 23.434 0.400 . 1 . . . A 83 VAL CG2 . 17702 1 671 . 1 1 79 79 VAL N N 15 118.767 0.400 . 1 . . . A 83 VAL N . 17702 1 672 . 1 1 80 80 LEU H H 1 6.977 0.020 . 1 . . . A 84 LEU H . 17702 1 673 . 1 1 80 80 LEU HA H 1 5.165 0.020 . 1 . . . A 84 LEU HA . 17702 1 674 . 1 1 80 80 LEU HB2 H 1 1.664 0.020 . 2 . . . A 84 LEU HB2 . 17702 1 675 . 1 1 80 80 LEU HB3 H 1 1.664 0.020 . 2 . . . A 84 LEU HB3 . 17702 1 676 . 1 1 80 80 LEU CA C 13 51.953 0.400 . 1 . . . A 84 LEU CA . 17702 1 677 . 1 1 80 80 LEU CB C 13 43.851 0.400 . 1 . . . A 84 LEU CB . 17702 1 678 . 1 1 80 80 LEU N N 15 114.413 0.400 . 1 . . . A 84 LEU N . 17702 1 679 . 1 1 81 81 ILE H H 1 9.010 0.020 . 1 . . . A 85 ILE H . 17702 1 680 . 1 1 81 81 ILE HA H 1 4.272 0.020 . 1 . . . A 85 ILE HA . 17702 1 681 . 1 1 81 81 ILE HG21 H 1 0.821 0.020 . 1 . . . A 85 ILE HG21 . 17702 1 682 . 1 1 81 81 ILE HG22 H 1 0.821 0.020 . 1 . . . A 85 ILE HG22 . 17702 1 683 . 1 1 81 81 ILE HG23 H 1 0.821 0.020 . 1 . . . A 85 ILE HG23 . 17702 1 684 . 1 1 81 81 ILE HD11 H 1 0.806 0.020 . 1 . . . A 85 ILE HD11 . 17702 1 685 . 1 1 81 81 ILE HD12 H 1 0.806 0.020 . 1 . . . A 85 ILE HD12 . 17702 1 686 . 1 1 81 81 ILE HD13 H 1 0.806 0.020 . 1 . . . A 85 ILE HD13 . 17702 1 687 . 1 1 81 81 ILE CA C 13 59.708 0.400 . 1 . . . A 85 ILE CA . 17702 1 688 . 1 1 81 81 ILE CG2 C 13 17.785 0.400 . 1 . . . A 85 ILE CG2 . 17702 1 689 . 1 1 81 81 ILE CD1 C 13 14.062 0.400 . 1 . . . A 85 ILE CD1 . 17702 1 690 . 1 1 81 81 ILE N N 15 117.795 0.400 . 1 . . . A 85 ILE N . 17702 1 691 . 1 1 82 82 GLU H H 1 8.236 0.020 . 1 . . . A 86 GLU H . 17702 1 692 . 1 1 82 82 GLU HA H 1 5.032 0.020 . 1 . . . A 86 GLU HA . 17702 1 693 . 1 1 82 82 GLU HB2 H 1 1.845 0.020 . 2 . . . A 86 GLU HB2 . 17702 1 694 . 1 1 82 82 GLU HB3 H 1 2.068 0.020 . 2 . . . A 86 GLU HB3 . 17702 1 695 . 1 1 82 82 GLU CA C 13 54.850 0.400 . 1 . . . A 86 GLU CA . 17702 1 696 . 1 1 82 82 GLU CB C 13 30.931 0.400 . 1 . . . A 86 GLU CB . 17702 1 697 . 1 1 82 82 GLU N N 15 121.674 0.400 . 1 . . . A 86 GLU N . 17702 1 698 . 1 1 83 83 LEU H H 1 9.036 0.020 . 1 . . . A 87 LEU H . 17702 1 699 . 1 1 83 83 LEU HA H 1 4.701 0.020 . 1 . . . A 87 LEU HA . 17702 1 700 . 1 1 83 83 LEU HB2 H 1 1.626 0.020 . 2 . . . A 87 LEU HB2 . 17702 1 701 . 1 1 83 83 LEU HB3 H 1 1.626 0.020 . 2 . . . A 87 LEU HB3 . 17702 1 702 . 1 1 83 83 LEU CA C 13 54.367 0.400 . 1 . . . A 87 LEU CA . 17702 1 703 . 1 1 83 83 LEU CB C 13 43.603 0.400 . 1 . . . A 87 LEU CB . 17702 1 704 . 1 1 83 83 LEU N N 15 124.890 0.400 . 1 . . . A 87 LEU N . 17702 1 705 . 1 1 84 84 THR H H 1 8.255 0.020 . 1 . . . A 88 THR H . 17702 1 706 . 1 1 84 84 THR HA H 1 4.556 0.020 . 1 . . . A 88 THR HA . 17702 1 707 . 1 1 84 84 THR HB H 1 4.422 0.020 . 1 . . . A 88 THR HB . 17702 1 708 . 1 1 84 84 THR HG21 H 1 1.286 0.020 . 1 . . . A 88 THR HG21 . 17702 1 709 . 1 1 84 84 THR HG22 H 1 1.286 0.020 . 1 . . . A 88 THR HG22 . 17702 1 710 . 1 1 84 84 THR HG23 H 1 1.286 0.020 . 1 . . . A 88 THR HG23 . 17702 1 711 . 1 1 84 84 THR CA C 13 61.399 0.400 . 1 . . . A 88 THR CA . 17702 1 712 . 1 1 84 84 THR CB C 13 70.355 0.400 . 1 . . . A 88 THR CB . 17702 1 713 . 1 1 84 84 THR CG2 C 13 22.447 0.400 . 1 . . . A 88 THR CG2 . 17702 1 714 . 1 1 84 84 THR N N 15 113.845 0.400 . 1 . . . A 88 THR N . 17702 1 715 . 1 1 85 85 GLN H H 1 8.626 0.020 . 1 . . . A 89 GLN H . 17702 1 716 . 1 1 85 85 GLN HA H 1 4.250 0.020 . 1 . . . A 89 GLN HA . 17702 1 717 . 1 1 85 85 GLN HB2 H 1 2.049 0.020 . 2 . . . A 89 GLN HB2 . 17702 1 718 . 1 1 85 85 GLN HB3 H 1 2.148 0.020 . 2 . . . A 89 GLN HB3 . 17702 1 719 . 1 1 85 85 GLN HG2 H 1 2.354 0.020 . 2 . . . A 89 GLN HG2 . 17702 1 720 . 1 1 85 85 GLN HG3 H 1 2.354 0.020 . 2 . . . A 89 GLN HG3 . 17702 1 721 . 1 1 85 85 GLN CA C 13 56.846 0.400 . 1 . . . A 89 GLN CA . 17702 1 722 . 1 1 85 85 GLN CB C 13 29.566 0.400 . 1 . . . A 89 GLN CB . 17702 1 723 . 1 1 85 85 GLN CG C 13 34.004 0.400 . 1 . . . A 89 GLN CG . 17702 1 724 . 1 1 85 85 GLN N N 15 120.872 0.400 . 1 . . . A 89 GLN N . 17702 1 725 . 1 1 86 86 ALA H H 1 8.243 0.020 . 1 . . . A 90 ALA H . 17702 1 726 . 1 1 86 86 ALA HA H 1 4.242 0.020 . 1 . . . A 90 ALA HA . 17702 1 727 . 1 1 86 86 ALA HB1 H 1 1.348 0.020 . 1 . . . A 90 ALA HB1 . 17702 1 728 . 1 1 86 86 ALA HB2 H 1 1.348 0.020 . 1 . . . A 90 ALA HB2 . 17702 1 729 . 1 1 86 86 ALA HB3 H 1 1.348 0.020 . 1 . . . A 90 ALA HB3 . 17702 1 730 . 1 1 86 86 ALA CA C 13 53.229 0.400 . 1 . . . A 90 ALA CA . 17702 1 731 . 1 1 86 86 ALA CB C 13 19.646 0.400 . 1 . . . A 90 ALA CB . 17702 1 732 . 1 1 86 86 ALA N N 15 122.823 0.400 . 1 . . . A 90 ALA N . 17702 1 733 . 1 1 87 87 GLY H H 1 8.197 0.020 . 1 . . . A 91 GLY H . 17702 1 734 . 1 1 87 87 GLY HA2 H 1 3.946 0.020 . 2 . . . A 91 GLY HA2 . 17702 1 735 . 1 1 87 87 GLY HA3 H 1 3.946 0.020 . 2 . . . A 91 GLY HA3 . 17702 1 736 . 1 1 87 87 GLY CA C 13 45.693 0.400 . 1 . . . A 91 GLY CA . 17702 1 737 . 1 1 87 87 GLY N N 15 106.797 0.400 . 1 . . . A 91 GLY N . 17702 1 738 . 1 1 88 88 LEU H H 1 7.938 0.020 . 1 . . . A 92 LEU H . 17702 1 739 . 1 1 88 88 LEU HA H 1 4.336 0.020 . 1 . . . A 92 LEU HA . 17702 1 740 . 1 1 88 88 LEU HB2 H 1 1.598 0.020 . 2 . . . A 92 LEU HB2 . 17702 1 741 . 1 1 88 88 LEU HB3 H 1 1.598 0.020 . 2 . . . A 92 LEU HB3 . 17702 1 742 . 1 1 88 88 LEU HG H 1 1.558 0.020 . 1 . . . A 92 LEU HG . 17702 1 743 . 1 1 88 88 LEU HD11 H 1 0.820 0.020 . 2 . . . A 92 LEU HD11 . 17702 1 744 . 1 1 88 88 LEU HD12 H 1 0.820 0.020 . 2 . . . A 92 LEU HD12 . 17702 1 745 . 1 1 88 88 LEU HD13 H 1 0.820 0.020 . 2 . . . A 92 LEU HD13 . 17702 1 746 . 1 1 88 88 LEU HD21 H 1 0.800 0.020 . 2 . . . A 92 LEU HD21 . 17702 1 747 . 1 1 88 88 LEU HD22 H 1 0.800 0.020 . 2 . . . A 92 LEU HD22 . 17702 1 748 . 1 1 88 88 LEU HD23 H 1 0.800 0.020 . 2 . . . A 92 LEU HD23 . 17702 1 749 . 1 1 88 88 LEU CA C 13 55.589 0.400 . 1 . . . A 92 LEU CA . 17702 1 750 . 1 1 88 88 LEU CB C 13 42.484 0.400 . 1 . . . A 92 LEU CB . 17702 1 751 . 1 1 88 88 LEU CG C 13 26.949 0.400 . 1 . . . A 92 LEU CG . 17702 1 752 . 1 1 88 88 LEU CD1 C 13 25.543 0.400 . 1 . . . A 92 LEU CD1 . 17702 1 753 . 1 1 88 88 LEU CD2 C 13 24.195 0.400 . 1 . . . A 92 LEU CD2 . 17702 1 754 . 1 1 88 88 LEU N N 15 120.790 0.400 . 1 . . . A 92 LEU N . 17702 1 755 . 1 1 89 89 LYS H H 1 8.239 0.020 . 1 . . . A 93 LYS H . 17702 1 756 . 1 1 89 89 LYS HA H 1 4.332 0.020 . 1 . . . A 93 LYS HA . 17702 1 757 . 1 1 89 89 LYS HB2 H 1 1.824 0.020 . 2 . . . A 93 LYS HB2 . 17702 1 758 . 1 1 89 89 LYS HB3 H 1 1.903 0.020 . 2 . . . A 93 LYS HB3 . 17702 1 759 . 1 1 89 89 LYS HG2 H 1 1.446 0.020 . 2 . . . A 93 LYS HG2 . 17702 1 760 . 1 1 89 89 LYS HG3 H 1 1.446 0.020 . 2 . . . A 93 LYS HG3 . 17702 1 761 . 1 1 89 89 LYS HD2 H 1 1.694 0.020 . 2 . . . A 93 LYS HD2 . 17702 1 762 . 1 1 89 89 LYS HD3 H 1 1.694 0.020 . 2 . . . A 93 LYS HD3 . 17702 1 763 . 1 1 89 89 LYS CA C 13 56.653 0.400 . 1 . . . A 93 LYS CA . 17702 1 764 . 1 1 89 89 LYS CB C 13 32.891 0.400 . 1 . . . A 93 LYS CB . 17702 1 765 . 1 1 89 89 LYS CG C 13 24.987 0.400 . 1 . . . A 93 LYS CG . 17702 1 766 . 1 1 89 89 LYS CD C 13 29.172 0.400 . 1 . . . A 93 LYS CD . 17702 1 767 . 1 1 89 89 LYS N N 15 119.846 0.400 . 1 . . . A 93 LYS N . 17702 1 768 . 1 1 90 90 GLY H H 1 8.286 0.020 . 1 . . . A 94 GLY H . 17702 1 769 . 1 1 90 90 GLY HA2 H 1 4.030 0.020 . 2 . . . A 94 GLY HA2 . 17702 1 770 . 1 1 90 90 GLY HA3 H 1 4.030 0.020 . 2 . . . A 94 GLY HA3 . 17702 1 771 . 1 1 90 90 GLY CA C 13 45.580 0.400 . 1 . . . A 94 GLY CA . 17702 1 772 . 1 1 90 90 GLY N N 15 109.005 0.400 . 1 . . . A 94 GLY N . 17702 1 773 . 1 1 91 91 SER HA H 1 4.598 0.020 . 1 . . . A 95 SER HA . 17702 1 774 . 1 1 91 91 SER HB2 H 1 3.923 0.020 . 2 . . . A 95 SER HB2 . 17702 1 775 . 1 1 91 91 SER HB3 H 1 3.923 0.020 . 2 . . . A 95 SER HB3 . 17702 1 776 . 1 1 91 91 SER CA C 13 58.289 0.400 . 1 . . . A 95 SER CA . 17702 1 777 . 1 1 91 91 SER CB C 13 64.031 0.400 . 1 . . . A 95 SER CB . 17702 1 778 . 1 1 92 92 THR H H 1 8.249 0.020 . 1 . . . A 96 THR H . 17702 1 779 . 1 1 92 92 THR HA H 1 4.439 0.020 . 1 . . . A 96 THR HA . 17702 1 780 . 1 1 92 92 THR HB H 1 4.351 0.020 . 1 . . . A 96 THR HB . 17702 1 781 . 1 1 92 92 THR HG21 H 1 1.238 0.020 . 1 . . . A 96 THR HG21 . 17702 1 782 . 1 1 92 92 THR HG22 H 1 1.238 0.020 . 1 . . . A 96 THR HG22 . 17702 1 783 . 1 1 92 92 THR HG23 H 1 1.238 0.020 . 1 . . . A 96 THR HG23 . 17702 1 784 . 1 1 92 92 THR CA C 13 61.975 0.400 . 1 . . . A 96 THR CA . 17702 1 785 . 1 1 92 92 THR CB C 13 69.762 0.400 . 1 . . . A 96 THR CB . 17702 1 786 . 1 1 92 92 THR CG2 C 13 22.301 0.400 . 1 . . . A 96 THR CG2 . 17702 1 787 . 1 1 92 92 THR N N 15 114.649 0.400 . 1 . . . A 96 THR N . 17702 1 788 . 1 1 93 93 GLU H H 1 8.405 0.020 . 1 . . . A 97 GLU H . 17702 1 789 . 1 1 93 93 GLU HA H 1 4.332 0.020 . 1 . . . A 97 GLU HA . 17702 1 790 . 1 1 93 93 GLU HB2 H 1 1.994 0.020 . 2 . . . A 97 GLU HB2 . 17702 1 791 . 1 1 93 93 GLU HB3 H 1 2.108 0.020 . 2 . . . A 97 GLU HB3 . 17702 1 792 . 1 1 93 93 GLU HG2 H 1 2.303 0.020 . 2 . . . A 97 GLU HG2 . 17702 1 793 . 1 1 93 93 GLU HG3 H 1 2.303 0.020 . 2 . . . A 97 GLU HG3 . 17702 1 794 . 1 1 93 93 GLU CA C 13 57.028 0.400 . 1 . . . A 97 GLU CA . 17702 1 795 . 1 1 93 93 GLU CB C 13 30.313 0.400 . 1 . . . A 97 GLU CB . 17702 1 796 . 1 1 93 93 GLU CG C 13 36.374 0.400 . 1 . . . A 97 GLU CG . 17702 1 797 . 1 1 93 93 GLU N N 15 122.313 0.400 . 1 . . . A 97 GLU N . 17702 1 798 . 1 1 94 94 GLY H H 1 8.444 0.020 . 1 . . . A 98 GLY H . 17702 1 799 . 1 1 94 94 GLY HA2 H 1 4.033 0.020 . 2 . . . A 98 GLY HA2 . 17702 1 800 . 1 1 94 94 GLY HA3 H 1 4.033 0.020 . 2 . . . A 98 GLY HA3 . 17702 1 801 . 1 1 94 94 GLY CA C 13 45.595 0.400 . 1 . . . A 98 GLY CA . 17702 1 802 . 1 1 94 94 GLY N N 15 109.638 0.400 . 1 . . . A 98 GLY N . 17702 1 803 . 1 1 95 95 SER H H 1 8.153 0.020 . 1 . . . A 99 SER H . 17702 1 804 . 1 1 95 95 SER HA H 1 4.495 0.020 . 1 . . . A 99 SER HA . 17702 1 805 . 1 1 95 95 SER HB2 H 1 3.897 0.020 . 2 . . . A 99 SER HB2 . 17702 1 806 . 1 1 95 95 SER HB3 H 1 3.897 0.020 . 2 . . . A 99 SER HB3 . 17702 1 807 . 1 1 95 95 SER CA C 13 58.572 0.400 . 1 . . . A 99 SER CA . 17702 1 808 . 1 1 95 95 SER CB C 13 63.997 0.400 . 1 . . . A 99 SER CB . 17702 1 809 . 1 1 95 95 SER N N 15 114.657 0.400 . 1 . . . A 99 SER N . 17702 1 810 . 1 1 96 96 GLU H H 1 8.560 0.020 . 1 . . . A 100 GLU H . 17702 1 811 . 1 1 96 96 GLU HA H 1 4.364 0.020 . 1 . . . A 100 GLU HA . 17702 1 812 . 1 1 96 96 GLU HB2 H 1 1.969 0.020 . 2 . . . A 100 GLU HB2 . 17702 1 813 . 1 1 96 96 GLU HB3 H 1 2.075 0.020 . 2 . . . A 100 GLU HB3 . 17702 1 814 . 1 1 96 96 GLU HG2 H 1 2.289 0.020 . 2 . . . A 100 GLU HG2 . 17702 1 815 . 1 1 96 96 GLU HG3 H 1 2.289 0.020 . 2 . . . A 100 GLU HG3 . 17702 1 816 . 1 1 96 96 GLU CA C 13 57.011 0.400 . 1 . . . A 100 GLU CA . 17702 1 817 . 1 1 96 96 GLU CB C 13 30.183 0.400 . 1 . . . A 100 GLU CB . 17702 1 818 . 1 1 96 96 GLU CG C 13 36.424 0.400 . 1 . . . A 100 GLU CG . 17702 1 819 . 1 1 96 96 GLU N N 15 121.768 0.400 . 1 . . . A 100 GLU N . 17702 1 820 . 1 1 97 97 SER H H 1 8.191 0.020 . 1 . . . A 101 SER H . 17702 1 821 . 1 1 97 97 SER HA H 1 4.483 0.020 . 1 . . . A 101 SER HA . 17702 1 822 . 1 1 97 97 SER HB2 H 1 3.849 0.020 . 2 . . . A 101 SER HB2 . 17702 1 823 . 1 1 97 97 SER HB3 H 1 3.849 0.020 . 2 . . . A 101 SER HB3 . 17702 1 824 . 1 1 97 97 SER CA C 13 58.472 0.400 . 1 . . . A 101 SER CA . 17702 1 825 . 1 1 97 97 SER CB C 13 63.958 0.400 . 1 . . . A 101 SER CB . 17702 1 826 . 1 1 97 97 SER N N 15 115.160 0.400 . 1 . . . A 101 SER N . 17702 1 827 . 1 1 98 98 TYR H H 1 8.167 0.020 . 1 . . . A 102 TYR H . 17702 1 828 . 1 1 98 98 TYR HA H 1 4.582 0.020 . 1 . . . A 102 TYR HA . 17702 1 829 . 1 1 98 98 TYR HB2 H 1 3.036 0.020 . 2 . . . A 102 TYR HB2 . 17702 1 830 . 1 1 98 98 TYR HB3 H 1 3.111 0.020 . 2 . . . A 102 TYR HB3 . 17702 1 831 . 1 1 98 98 TYR CA C 13 58.226 0.400 . 1 . . . A 102 TYR CA . 17702 1 832 . 1 1 98 98 TYR CB C 13 38.891 0.400 . 1 . . . A 102 TYR CB . 17702 1 833 . 1 1 98 98 TYR N N 15 121.885 0.400 . 1 . . . A 102 TYR N . 17702 1 834 . 1 1 99 99 GLU H H 1 8.208 0.020 . 1 . . . A 103 GLU H . 17702 1 835 . 1 1 99 99 GLU HA H 1 4.212 0.020 . 1 . . . A 103 GLU HA . 17702 1 836 . 1 1 99 99 GLU HB2 H 1 1.918 0.020 . 2 . . . A 103 GLU HB2 . 17702 1 837 . 1 1 99 99 GLU HB3 H 1 2.016 0.020 . 2 . . . A 103 GLU HB3 . 17702 1 838 . 1 1 99 99 GLU HG2 H 1 2.244 0.020 . 2 . . . A 103 GLU HG2 . 17702 1 839 . 1 1 99 99 GLU HG3 H 1 2.244 0.020 . 2 . . . A 103 GLU HG3 . 17702 1 840 . 1 1 99 99 GLU CA C 13 56.638 0.400 . 1 . . . A 103 GLU CA . 17702 1 841 . 1 1 99 99 GLU CB C 13 30.566 0.400 . 1 . . . A 103 GLU CB . 17702 1 842 . 1 1 99 99 GLU CG C 13 36.447 0.400 . 1 . . . A 103 GLU CG . 17702 1 843 . 1 1 99 99 GLU N N 15 121.193 0.400 . 1 . . . A 103 GLU N . 17702 1 844 . 1 1 100 100 GLU H H 1 8.203 0.020 . 1 . . . A 104 GLU H . 17702 1 845 . 1 1 100 100 GLU HA H 1 4.167 0.020 . 1 . . . A 104 GLU HA . 17702 1 846 . 1 1 100 100 GLU HB2 H 1 2.016 0.020 . 2 . . . A 104 GLU HB2 . 17702 1 847 . 1 1 100 100 GLU HB3 H 1 2.092 0.020 . 2 . . . A 104 GLU HB3 . 17702 1 848 . 1 1 100 100 GLU HG2 H 1 2.285 0.020 . 2 . . . A 104 GLU HG2 . 17702 1 849 . 1 1 100 100 GLU HG3 H 1 2.285 0.020 . 2 . . . A 104 GLU HG3 . 17702 1 850 . 1 1 100 100 GLU CA C 13 57.330 0.400 . 1 . . . A 104 GLU CA . 17702 1 851 . 1 1 100 100 GLU CB C 13 30.352 0.400 . 1 . . . A 104 GLU CB . 17702 1 852 . 1 1 100 100 GLU CG C 13 36.475 0.400 . 1 . . . A 104 GLU CG . 17702 1 853 . 1 1 100 100 GLU N N 15 120.746 0.400 . 1 . . . A 104 GLU N . 17702 1 854 . 1 1 101 101 ASP H H 1 8.194 0.020 . 1 . . . A 105 ASP H . 17702 1 855 . 1 1 101 101 ASP HA H 1 5.111 0.020 . 1 . . . A 105 ASP HA . 17702 1 856 . 1 1 101 101 ASP HB2 H 1 2.411 0.020 . 2 . . . A 105 ASP HB2 . 17702 1 857 . 1 1 101 101 ASP HB3 H 1 2.847 0.020 . 2 . . . A 105 ASP HB3 . 17702 1 858 . 1 1 101 101 ASP CA C 13 51.730 0.400 . 1 . . . A 105 ASP CA . 17702 1 859 . 1 1 101 101 ASP CB C 13 40.419 0.400 . 1 . . . A 105 ASP CB . 17702 1 860 . 1 1 101 101 ASP N N 15 119.294 0.400 . 1 . . . A 105 ASP N . 17702 1 861 . 1 1 102 102 PRO HA H 1 4.464 0.020 . 1 . . . A 106 PRO HA . 17702 1 862 . 1 1 102 102 PRO HB2 H 1 2.185 0.020 . 2 . . . A 106 PRO HB2 . 17702 1 863 . 1 1 102 102 PRO HB3 H 1 2.185 0.020 . 2 . . . A 106 PRO HB3 . 17702 1 864 . 1 1 102 102 PRO CA C 13 62.868 0.400 . 1 . . . A 106 PRO CA . 17702 1 865 . 1 1 102 102 PRO CB C 13 32.475 0.400 . 1 . . . A 106 PRO CB . 17702 1 866 . 1 1 103 103 TYR H H 1 8.214 0.020 . 1 . . . A 107 TYR H . 17702 1 867 . 1 1 103 103 TYR HA H 1 4.454 0.020 . 1 . . . A 107 TYR HA . 17702 1 868 . 1 1 103 103 TYR HB2 H 1 2.653 0.020 . 2 . . . A 107 TYR HB2 . 17702 1 869 . 1 1 103 103 TYR HB3 H 1 2.874 0.020 . 2 . . . A 107 TYR HB3 . 17702 1 870 . 1 1 103 103 TYR CA C 13 59.045 0.400 . 1 . . . A 107 TYR CA . 17702 1 871 . 1 1 103 103 TYR CB C 13 39.683 0.400 . 1 . . . A 107 TYR CB . 17702 1 872 . 1 1 103 103 TYR N N 15 116.105 0.400 . 1 . . . A 107 TYR N . 17702 1 873 . 1 1 104 104 LEU H H 1 8.594 0.020 . 1 . . . A 108 LEU H . 17702 1 874 . 1 1 104 104 LEU HA H 1 5.462 0.020 . 1 . . . A 108 LEU HA . 17702 1 875 . 1 1 104 104 LEU HB2 H 1 1.627 0.020 . 2 . . . A 108 LEU HB2 . 17702 1 876 . 1 1 104 104 LEU HB3 H 1 1.627 0.020 . 2 . . . A 108 LEU HB3 . 17702 1 877 . 1 1 104 104 LEU CA C 13 53.489 0.400 . 1 . . . A 108 LEU CA . 17702 1 878 . 1 1 104 104 LEU CB C 13 45.876 0.400 . 1 . . . A 108 LEU CB . 17702 1 879 . 1 1 104 104 LEU N N 15 121.358 0.400 . 1 . . . A 108 LEU N . 17702 1 880 . 1 1 105 105 VAL H H 1 8.209 0.020 . 1 . . . A 109 VAL H . 17702 1 881 . 1 1 105 105 VAL HA H 1 4.733 0.020 . 1 . . . A 109 VAL HA . 17702 1 882 . 1 1 105 105 VAL HB H 1 2.263 0.020 . 1 . . . A 109 VAL HB . 17702 1 883 . 1 1 105 105 VAL HG11 H 1 0.718 0.020 . 2 . . . A 109 VAL HG11 . 17702 1 884 . 1 1 105 105 VAL HG12 H 1 0.718 0.020 . 2 . . . A 109 VAL HG12 . 17702 1 885 . 1 1 105 105 VAL HG13 H 1 0.718 0.020 . 2 . . . A 109 VAL HG13 . 17702 1 886 . 1 1 105 105 VAL HG21 H 1 0.938 0.020 . 2 . . . A 109 VAL HG21 . 17702 1 887 . 1 1 105 105 VAL HG22 H 1 0.938 0.020 . 2 . . . A 109 VAL HG22 . 17702 1 888 . 1 1 105 105 VAL HG23 H 1 0.938 0.020 . 2 . . . A 109 VAL HG23 . 17702 1 889 . 1 1 105 105 VAL CA C 13 58.605 0.400 . 1 . . . A 109 VAL CA . 17702 1 890 . 1 1 105 105 VAL CB C 13 36.111 0.400 . 1 . . . A 109 VAL CB . 17702 1 891 . 1 1 105 105 VAL CG1 C 13 19.614 0.400 . 1 . . . A 109 VAL CG1 . 17702 1 892 . 1 1 105 105 VAL CG2 C 13 23.115 0.400 . 1 . . . A 109 VAL CG2 . 17702 1 893 . 1 1 105 105 VAL N N 15 109.428 0.400 . 1 . . . A 109 VAL N . 17702 1 894 . 1 1 106 106 VAL H H 1 8.769 0.020 . 1 . . . A 110 VAL H . 17702 1 895 . 1 1 106 106 VAL HA H 1 4.152 0.020 . 1 . . . A 110 VAL HA . 17702 1 896 . 1 1 106 106 VAL HB H 1 1.978 0.020 . 1 . . . A 110 VAL HB . 17702 1 897 . 1 1 106 106 VAL HG11 H 1 1.005 0.020 . 2 . . . A 110 VAL HG11 . 17702 1 898 . 1 1 106 106 VAL HG12 H 1 1.005 0.020 . 2 . . . A 110 VAL HG12 . 17702 1 899 . 1 1 106 106 VAL HG13 H 1 1.005 0.020 . 2 . . . A 110 VAL HG13 . 17702 1 900 . 1 1 106 106 VAL HG21 H 1 1.061 0.020 . 2 . . . A 110 VAL HG21 . 17702 1 901 . 1 1 106 106 VAL HG22 H 1 1.061 0.020 . 2 . . . A 110 VAL HG22 . 17702 1 902 . 1 1 106 106 VAL HG23 H 1 1.061 0.020 . 2 . . . A 110 VAL HG23 . 17702 1 903 . 1 1 106 106 VAL CA C 13 62.909 0.400 . 1 . . . A 110 VAL CA . 17702 1 904 . 1 1 106 106 VAL CB C 13 32.103 0.400 . 1 . . . A 110 VAL CB . 17702 1 905 . 1 1 106 106 VAL CG1 C 13 24.612 0.400 . 1 . . . A 110 VAL CG1 . 17702 1 906 . 1 1 106 106 VAL CG2 C 13 22.488 0.400 . 1 . . . A 110 VAL CG2 . 17702 1 907 . 1 1 106 106 VAL N N 15 120.456 0.400 . 1 . . . A 110 VAL N . 17702 1 908 . 1 1 107 107 ASN H H 1 8.891 0.020 . 1 . . . A 111 ASN H . 17702 1 909 . 1 1 107 107 ASN HA H 1 4.145 0.020 . 1 . . . A 111 ASN HA . 17702 1 910 . 1 1 107 107 ASN HB2 H 1 3.171 0.020 . 2 . . . A 111 ASN HB2 . 17702 1 911 . 1 1 107 107 ASN HB3 H 1 2.600 0.020 . 2 . . . A 111 ASN HB3 . 17702 1 912 . 1 1 107 107 ASN CA C 13 51.289 0.400 . 1 . . . A 111 ASN CA . 17702 1 913 . 1 1 107 107 ASN CB C 13 39.264 0.400 . 1 . . . A 111 ASN CB . 17702 1 914 . 1 1 107 107 ASN N N 15 125.763 0.400 . 1 . . . A 111 ASN N . 17702 1 915 . 1 1 108 108 PRO HA H 1 4.461 0.020 . 1 . . . A 112 PRO HA . 17702 1 916 . 1 1 108 108 PRO HB2 H 1 2.017 0.020 . 2 . . . A 112 PRO HB2 . 17702 1 917 . 1 1 108 108 PRO HB3 H 1 2.406 0.020 . 2 . . . A 112 PRO HB3 . 17702 1 918 . 1 1 108 108 PRO CA C 13 64.380 0.400 . 1 . . . A 112 PRO CA . 17702 1 919 . 1 1 108 108 PRO CB C 13 32.349 0.400 . 1 . . . A 112 PRO CB . 17702 1 920 . 1 1 109 109 ASN H H 1 8.099 0.020 . 1 . . . A 113 ASN H . 17702 1 921 . 1 1 109 109 ASN HA H 1 4.703 0.020 . 1 . . . A 113 ASN HA . 17702 1 922 . 1 1 109 109 ASN HB2 H 1 2.624 0.020 . 2 . . . A 113 ASN HB2 . 17702 1 923 . 1 1 109 109 ASN HB3 H 1 2.865 0.020 . 2 . . . A 113 ASN HB3 . 17702 1 924 . 1 1 109 109 ASN CA C 13 53.549 0.400 . 1 . . . A 113 ASN CA . 17702 1 925 . 1 1 109 109 ASN CB C 13 38.945 0.400 . 1 . . . A 113 ASN CB . 17702 1 926 . 1 1 109 109 ASN N N 15 113.817 0.400 . 1 . . . A 113 ASN N . 17702 1 927 . 1 1 110 110 TYR H H 1 7.816 0.020 . 1 . . . A 114 TYR H . 17702 1 928 . 1 1 110 110 TYR HA H 1 4.442 0.020 . 1 . . . A 114 TYR HA . 17702 1 929 . 1 1 110 110 TYR HB2 H 1 3.056 0.020 . 2 . . . A 114 TYR HB2 . 17702 1 930 . 1 1 110 110 TYR HB3 H 1 3.152 0.020 . 2 . . . A 114 TYR HB3 . 17702 1 931 . 1 1 110 110 TYR CA C 13 59.070 0.400 . 1 . . . A 114 TYR CA . 17702 1 932 . 1 1 110 110 TYR CB C 13 39.129 0.400 . 1 . . . A 114 TYR CB . 17702 1 933 . 1 1 110 110 TYR N N 15 120.291 0.400 . 1 . . . A 114 TYR N . 17702 1 934 . 1 1 111 111 LEU H H 1 7.699 0.020 . 1 . . . A 115 LEU H . 17702 1 935 . 1 1 111 111 LEU HA H 1 4.214 0.020 . 1 . . . A 115 LEU HA . 17702 1 936 . 1 1 111 111 LEU HB2 H 1 1.479 0.020 . 2 . . . A 115 LEU HB2 . 17702 1 937 . 1 1 111 111 LEU HB3 H 1 1.553 0.020 . 2 . . . A 115 LEU HB3 . 17702 1 938 . 1 1 111 111 LEU HD11 H 1 0.846 0.020 . 2 . . . A 115 LEU HD11 . 17702 1 939 . 1 1 111 111 LEU HD12 H 1 0.846 0.020 . 2 . . . A 115 LEU HD12 . 17702 1 940 . 1 1 111 111 LEU HD13 H 1 0.846 0.020 . 2 . . . A 115 LEU HD13 . 17702 1 941 . 1 1 111 111 LEU HD21 H 1 0.772 0.020 . 2 . . . A 115 LEU HD21 . 17702 1 942 . 1 1 111 111 LEU HD22 H 1 0.772 0.020 . 2 . . . A 115 LEU HD22 . 17702 1 943 . 1 1 111 111 LEU HD23 H 1 0.772 0.020 . 2 . . . A 115 LEU HD23 . 17702 1 944 . 1 1 111 111 LEU CA C 13 54.756 0.400 . 1 . . . A 115 LEU CA . 17702 1 945 . 1 1 111 111 LEU CB C 13 42.517 0.400 . 1 . . . A 115 LEU CB . 17702 1 946 . 1 1 111 111 LEU CD1 C 13 25.647 0.400 . 1 . . . A 115 LEU CD1 . 17702 1 947 . 1 1 111 111 LEU CD2 C 13 24.130 0.400 . 1 . . . A 115 LEU CD2 . 17702 1 948 . 1 1 111 111 LEU N N 15 124.140 0.400 . 1 . . . A 115 LEU N . 17702 1 949 . 1 1 112 112 LEU H H 1 7.831 0.020 . 1 . . . A 116 LEU H . 17702 1 950 . 1 1 112 112 LEU HA H 1 4.307 0.020 . 1 . . . A 116 LEU HA . 17702 1 951 . 1 1 112 112 LEU HB2 H 1 1.599 0.020 . 2 . . . A 116 LEU HB2 . 17702 1 952 . 1 1 112 112 LEU HB3 H 1 1.599 0.020 . 2 . . . A 116 LEU HB3 . 17702 1 953 . 1 1 112 112 LEU CA C 13 55.142 0.400 . 1 . . . A 116 LEU CA . 17702 1 954 . 1 1 112 112 LEU CB C 13 42.574 0.400 . 1 . . . A 116 LEU CB . 17702 1 955 . 1 1 112 112 LEU N N 15 121.830 0.400 . 1 . . . A 116 LEU N . 17702 1 956 . 1 1 113 113 GLU H H 1 8.182 0.020 . 1 . . . A 117 GLU H . 17702 1 957 . 1 1 113 113 GLU HA H 1 4.342 0.020 . 1 . . . A 117 GLU HA . 17702 1 958 . 1 1 113 113 GLU HB2 H 1 1.905 0.020 . 2 . . . A 117 GLU HB2 . 17702 1 959 . 1 1 113 113 GLU HB3 H 1 2.091 0.020 . 2 . . . A 117 GLU HB3 . 17702 1 960 . 1 1 113 113 GLU HG2 H 1 2.240 0.020 . 2 . . . A 117 GLU HG2 . 17702 1 961 . 1 1 113 113 GLU HG3 H 1 2.240 0.020 . 2 . . . A 117 GLU HG3 . 17702 1 962 . 1 1 113 113 GLU CA C 13 56.310 0.400 . 1 . . . A 117 GLU CA . 17702 1 963 . 1 1 113 113 GLU CB C 13 30.930 0.400 . 1 . . . A 117 GLU CB . 17702 1 964 . 1 1 113 113 GLU CG C 13 36.459 0.400 . 1 . . . A 117 GLU CG . 17702 1 965 . 1 1 113 113 GLU N N 15 121.586 0.400 . 1 . . . A 117 GLU N . 17702 1 966 . 1 1 114 114 ASP H H 1 7.926 0.020 . 1 . . . A 118 ASP H . 17702 1 967 . 1 1 114 114 ASP HA H 1 4.392 0.020 . 1 . . . A 118 ASP HA . 17702 1 968 . 1 1 114 114 ASP HB2 H 1 2.656 0.020 . 2 . . . A 118 ASP HB2 . 17702 1 969 . 1 1 114 114 ASP HB3 H 1 2.568 0.020 . 2 . . . A 118 ASP HB3 . 17702 1 970 . 1 1 114 114 ASP CA C 13 55.988 0.400 . 1 . . . A 118 ASP CA . 17702 1 971 . 1 1 114 114 ASP CB C 13 42.524 0.400 . 1 . . . A 118 ASP CB . 17702 1 972 . 1 1 114 114 ASP N N 15 126.320 0.400 . 1 . . . A 118 ASP N . 17702 1 973 . 2 2 1 1 SER HB2 H 1 3.914 0.020 . 2 . . . . 380 SER HB2 . 17702 1 974 . 2 2 1 1 SER HB3 H 1 3.914 0.020 . 2 . . . . 380 SER HB3 . 17702 1 975 . 2 2 1 1 SER CB C 13 63.908 0.400 . 1 . . . . 380 SER CB . 17702 1 976 . 2 2 2 2 ALA HA H 1 4.436 0.020 . 1 . . . . 381 ALA HA . 17702 1 977 . 2 2 2 2 ALA HB1 H 1 1.433 0.020 . 1 . . . . 381 ALA HB1 . 17702 1 978 . 2 2 2 2 ALA HB2 H 1 1.433 0.020 . 1 . . . . 381 ALA HB3 . 17702 1 979 . 2 2 2 2 ALA HB3 H 1 1.433 0.020 . 1 . . . . 381 ALA HB1 . 17702 1 980 . 2 2 2 2 ALA CA C 13 52.280 0.400 . 1 . . . . 381 ALA CA . 17702 1 981 . 2 2 2 2 ALA CB C 13 19.434 0.400 . 1 . . . . 381 ALA CB . 17702 1 982 . 2 2 3 3 LEU H H 1 7.977 0.020 . 1 . . . . 382 LEU H . 17702 1 983 . 2 2 3 3 LEU HA H 1 4.404 0.020 . 1 . . . . 382 LEU HA . 17702 1 984 . 2 2 3 3 LEU HB2 H 1 1.689 0.020 . 2 . . . . 382 LEU HB2 . 17702 1 985 . 2 2 3 3 LEU HB3 H 1 1.689 0.020 . 2 . . . . 382 LEU HB3 . 17702 1 986 . 2 2 3 3 LEU HG H 1 1.726 0.020 . 1 . . . . 382 LEU HG . 17702 1 987 . 2 2 3 3 LEU HD11 H 1 0.935 0.020 . 2 . . . . 382 LEU HD11 . 17702 1 988 . 2 2 3 3 LEU HD12 H 1 0.935 0.020 . 2 . . . . 382 LEU HD13 . 17702 1 989 . 2 2 3 3 LEU HD13 H 1 0.935 0.020 . 2 . . . . 382 LEU HD11 . 17702 1 990 . 2 2 3 3 LEU HD21 H 1 0.974 0.020 . 2 . . . . 382 LEU HD23 . 17702 1 991 . 2 2 3 3 LEU HD22 H 1 0.974 0.020 . 2 . . . . 382 LEU HD21 . 17702 1 992 . 2 2 3 3 LEU HD23 H 1 0.974 0.020 . 2 . . . . 382 LEU HD23 . 17702 1 993 . 2 2 3 3 LEU CA C 13 55.145 0.400 . 1 . . . . 382 LEU CA . 17702 1 994 . 2 2 3 3 LEU CB C 13 42.419 0.400 . 1 . . . . 382 LEU CB . 17702 1 995 . 2 2 3 3 LEU CG C 13 26.972 0.400 . 1 . . . . 382 LEU CG . 17702 1 996 . 2 2 3 3 LEU CD1 C 13 23.405 0.400 . 1 . . . . 382 LEU CD1 . 17702 1 997 . 2 2 3 3 LEU CD2 C 13 25.456 0.400 . 1 . . . . 382 LEU CD2 . 17702 1 998 . 2 2 3 3 LEU N N 15 119.855 0.400 . 1 . . . . 382 LEU N . 17702 1 999 . 2 2 4 4 LYS H H 1 8.108 0.020 . 1 . . . . 383 LYS H . 17702 1 1000 . 2 2 4 4 LYS HA H 1 4.300 0.020 . 1 . . . . 383 LYS HA . 17702 1 1001 . 2 2 4 4 LYS HB2 H 1 1.874 0.020 . 2 . . . . 383 LYS HB2 . 17702 1 1002 . 2 2 4 4 LYS HB3 H 1 1.874 0.020 . 2 . . . . 383 LYS HB3 . 17702 1 1003 . 2 2 4 4 LYS HD2 H 1 1.744 0.020 . 2 . . . . 383 LYS HD2 . 17702 1 1004 . 2 2 4 4 LYS HD3 H 1 1.744 0.020 . 2 . . . . 383 LYS HD3 . 17702 1 1005 . 2 2 4 4 LYS CA C 13 55.957 0.400 . 1 . . . . 383 LYS CA . 17702 1 1006 . 2 2 4 4 LYS CB C 13 33.012 0.400 . 1 . . . . 383 LYS CB . 17702 1 1007 . 2 2 4 4 LYS CD C 13 24.737 0.400 . 1 . . . . 383 LYS CD . 17702 1 1008 . 2 2 4 4 LYS N N 15 121.532 0.400 . 1 . . . . 383 LYS N . 17702 1 1009 . 2 2 5 5 GLY HA2 H 1 4.040 0.020 . 2 . . . . 384 GLY HA2 . 17702 1 1010 . 2 2 5 5 GLY HA3 H 1 4.040 0.020 . 2 . . . . 384 GLY HA3 . 17702 1 1011 . 2 2 5 5 GLY CA C 13 45.329 0.400 . 1 . . . . 384 GLY CA . 17702 1 1012 . 2 2 6 6 VAL H H 1 7.778 0.020 . 1 . . . . 385 VAL H . 17702 1 1013 . 2 2 6 6 VAL HA H 1 4.252 0.020 . 1 . . . . 385 VAL HA . 17702 1 1014 . 2 2 6 6 VAL HB H 1 2.115 0.020 . 1 . . . . 385 VAL HB . 17702 1 1015 . 2 2 6 6 VAL HG11 H 1 1.004 0.020 . 2 . . . . 385 VAL HG11 . 17702 1 1016 . 2 2 6 6 VAL HG12 H 1 1.004 0.020 . 2 . . . . 385 VAL HG13 . 17702 1 1017 . 2 2 6 6 VAL HG13 H 1 1.004 0.020 . 2 . . . . 385 VAL HG11 . 17702 1 1018 . 2 2 6 6 VAL HG21 H 1 0.977 0.020 . 2 . . . . 385 VAL HG23 . 17702 1 1019 . 2 2 6 6 VAL HG22 H 1 0.977 0.020 . 2 . . . . 385 VAL HG21 . 17702 1 1020 . 2 2 6 6 VAL HG23 H 1 0.977 0.020 . 2 . . . . 385 VAL HG23 . 17702 1 1021 . 2 2 6 6 VAL CA C 13 62.017 0.400 . 1 . . . . 385 VAL CA . 17702 1 1022 . 2 2 6 6 VAL CB C 13 33.159 0.400 . 1 . . . . 385 VAL CB . 17702 1 1023 . 2 2 6 6 VAL CG1 C 13 21.294 0.400 . 1 . . . . 385 VAL CG1 . 17702 1 1024 . 2 2 6 6 VAL CG2 C 13 20.380 0.400 . 1 . . . . 385 VAL CG2 . 17702 1 1025 . 2 2 6 6 VAL N N 15 120.515 0.400 . 1 . . . . 385 VAL N . 17702 1 1026 . 2 2 7 7 SER HA H 1 4.497 0.020 . 1 . . . . 386 SER HA . 17702 1 1027 . 2 2 7 7 SER HB2 H 1 3.914 0.020 . 2 . . . . 386 SER HB2 . 17702 1 1028 . 2 2 7 7 SER HB3 H 1 3.914 0.020 . 2 . . . . 386 SER HB3 . 17702 1 1029 . 2 2 7 7 SER CA C 13 58.269 0.400 . 1 . . . . 386 SER CA . 17702 1 1030 . 2 2 7 7 SER CB C 13 63.908 0.400 . 1 . . . . 386 SER CB . 17702 1 1031 . 2 2 8 8 GLN HA H 1 4.237 0.020 . 1 . . . . 387 GLN HA . 17702 1 1032 . 2 2 8 8 GLN HB2 H 1 2.158 0.020 . 2 . . . . 387 GLN HB2 . 17702 1 1033 . 2 2 8 8 GLN HB3 H 1 2.158 0.020 . 2 . . . . 387 GLN HB3 . 17702 1 1034 . 2 2 8 8 GLN HG2 H 1 2.463 0.020 . 2 . . . . 387 GLN HG2 . 17702 1 1035 . 2 2 8 8 GLN HG3 H 1 2.463 0.020 . 2 . . . . 387 GLN HG3 . 17702 1 1036 . 2 2 8 8 GLN HE21 H 1 6.842 0.020 . 2 . . . . 387 GLN HE21 . 17702 1 1037 . 2 2 8 8 GLN HE22 H 1 7.475 0.020 . 2 . . . . 387 GLN HE22 . 17702 1 1038 . 2 2 8 8 GLN CA C 13 57.448 0.400 . 1 . . . . 387 GLN CA . 17702 1 1039 . 2 2 8 8 GLN CB C 13 28.866 0.400 . 1 . . . . 387 GLN CB . 17702 1 1040 . 2 2 8 8 GLN CG C 13 33.093 0.400 . 1 . . . . 387 GLN CG . 17702 1 1041 . 2 2 8 8 GLN NE2 N 15 111.904 0.400 . 1 . . . . 387 GLN NE2 . 17702 1 1042 . 2 2 9 9 ASP H H 1 8.416 0.020 . 1 . . . . 388 ASP H . 17702 1 1043 . 2 2 9 9 ASP HA H 1 4.598 0.020 . 1 . . . . 388 ASP HA . 17702 1 1044 . 2 2 9 9 ASP HB2 H 1 2.735 0.020 . 2 . . . . 388 ASP HB2 . 17702 1 1045 . 2 2 9 9 ASP HB3 H 1 2.735 0.020 . 2 . . . . 388 ASP HB3 . 17702 1 1046 . 2 2 9 9 ASP CA C 13 55.747 0.400 . 1 . . . . 388 ASP CA . 17702 1 1047 . 2 2 9 9 ASP CB C 13 41.037 0.400 . 1 . . . . 388 ASP CB . 17702 1 1048 . 2 2 9 9 ASP N N 15 118.272 0.400 . 1 . . . . 388 ASP N . 17702 1 1049 . 2 2 10 10 LEU HA H 1 4.362 0.020 . 1 . . . . 389 LEU HA . 17702 1 1050 . 2 2 10 10 LEU HB2 H 1 1.730 0.020 . 2 . . . . 389 LEU HB2 . 17702 1 1051 . 2 2 10 10 LEU HB3 H 1 1.730 0.020 . 2 . . . . 389 LEU HB3 . 17702 1 1052 . 2 2 10 10 LEU HD11 H 1 0.986 0.020 . 2 . . . . 389 LEU HD11 . 17702 1 1053 . 2 2 10 10 LEU HD12 H 1 0.986 0.020 . 2 . . . . 389 LEU HD13 . 17702 1 1054 . 2 2 10 10 LEU HD13 H 1 0.986 0.020 . 2 . . . . 389 LEU HD11 . 17702 1 1055 . 2 2 10 10 LEU HD21 H 1 0.936 0.020 . 2 . . . . 389 LEU HD23 . 17702 1 1056 . 2 2 10 10 LEU HD22 H 1 0.936 0.020 . 2 . . . . 389 LEU HD21 . 17702 1 1057 . 2 2 10 10 LEU HD23 H 1 0.936 0.020 . 2 . . . . 389 LEU HD23 . 17702 1 1058 . 2 2 10 10 LEU CA C 13 56.354 0.400 . 1 . . . . 389 LEU CA . 17702 1 1059 . 2 2 10 10 LEU CB C 13 42.435 0.400 . 1 . . . . 389 LEU CB . 17702 1 1060 . 2 2 10 10 LEU CD1 C 13 24.967 0.400 . 1 . . . . 389 LEU CD1 . 17702 1 1061 . 2 2 10 10 LEU CD2 C 13 23.675 0.400 . 1 . . . . 389 LEU CD2 . 17702 1 1062 . 2 2 11 11 LEU HA H 1 4.156 0.020 . 1 . . . . 390 LEU HA . 17702 1 1063 . 2 2 11 11 LEU HB2 H 1 1.805 0.020 . 2 . . . . 390 LEU HB2 . 17702 1 1064 . 2 2 11 11 LEU HB3 H 1 1.805 0.020 . 2 . . . . 390 LEU HB3 . 17702 1 1065 . 2 2 11 11 LEU HG H 1 1.726 0.020 . 1 . . . . 390 LEU HG . 17702 1 1066 . 2 2 11 11 LEU HD11 H 1 0.942 0.020 . 2 . . . . 390 LEU HD11 . 17702 1 1067 . 2 2 11 11 LEU HD12 H 1 0.942 0.020 . 2 . . . . 390 LEU HD13 . 17702 1 1068 . 2 2 11 11 LEU HD13 H 1 0.942 0.020 . 2 . . . . 390 LEU HD11 . 17702 1 1069 . 2 2 11 11 LEU HD21 H 1 0.909 0.020 . 2 . . . . 390 LEU HD23 . 17702 1 1070 . 2 2 11 11 LEU HD22 H 1 0.909 0.020 . 2 . . . . 390 LEU HD21 . 17702 1 1071 . 2 2 11 11 LEU HD23 H 1 0.909 0.020 . 2 . . . . 390 LEU HD23 . 17702 1 1072 . 2 2 11 11 LEU CA C 13 57.173 0.400 . 1 . . . . 390 LEU CA . 17702 1 1073 . 2 2 11 11 LEU CB C 13 41.855 0.400 . 1 . . . . 390 LEU CB . 17702 1 1074 . 2 2 11 11 LEU CG C 13 26.972 0.400 . 1 . . . . 390 LEU CG . 17702 1 1075 . 2 2 11 11 LEU CD1 C 13 24.054 0.400 . 1 . . . . 390 LEU CD1 . 17702 1 1076 . 2 2 11 11 LEU CD2 C 13 24.454 0.400 . 1 . . . . 390 LEU CD2 . 17702 1 1077 . 2 2 12 12 GLU H H 1 8.264 0.020 . 1 . . . . 391 GLU H . 17702 1 1078 . 2 2 12 12 GLU HA H 1 4.053 0.020 . 1 . . . . 391 GLU HA . 17702 1 1079 . 2 2 12 12 GLU HB2 H 1 2.146 0.020 . 2 . . . . 391 GLU HB2 . 17702 1 1080 . 2 2 12 12 GLU HB3 H 1 2.146 0.020 . 2 . . . . 391 GLU HB3 . 17702 1 1081 . 2 2 12 12 GLU HG2 H 1 2.483 0.020 . 2 . . . . 391 GLU HG2 . 17702 1 1082 . 2 2 12 12 GLU HG3 H 1 2.483 0.020 . 2 . . . . 391 GLU HG3 . 17702 1 1083 . 2 2 12 12 GLU CA C 13 55.391 0.400 . 1 . . . . 391 GLU CA . 17702 1 1084 . 2 2 12 12 GLU CB C 13 30.078 0.400 . 1 . . . . 391 GLU CB . 17702 1 1085 . 2 2 12 12 GLU CG C 13 36.550 0.400 . 1 . . . . 391 GLU CG . 17702 1 1086 . 2 2 12 12 GLU N N 15 117.681 0.400 . 1 . . . . 391 GLU N . 17702 1 1087 . 2 2 13 13 ARG H H 1 7.918 0.020 . 1 . . . . 392 ARG H . 17702 1 1088 . 2 2 13 13 ARG HA H 1 4.186 0.020 . 1 . . . . 392 ARG HA . 17702 1 1089 . 2 2 13 13 ARG HB2 H 1 1.980 0.020 . 2 . . . . 392 ARG HB2 . 17702 1 1090 . 2 2 13 13 ARG HB3 H 1 1.980 0.020 . 2 . . . . 392 ARG HB3 . 17702 1 1091 . 2 2 13 13 ARG HG2 H 1 1.819 0.020 . 2 . . . . 392 ARG HG2 . 17702 1 1092 . 2 2 13 13 ARG HG3 H 1 1.706 0.020 . 2 . . . . 392 ARG HG3 . 17702 1 1093 . 2 2 13 13 ARG HD2 H 1 3.253 0.020 . 2 . . . . 392 ARG HD2 . 17702 1 1094 . 2 2 13 13 ARG HD3 H 1 3.253 0.020 . 2 . . . . 392 ARG HD3 . 17702 1 1095 . 2 2 13 13 ARG CB C 13 30.552 0.400 . 1 . . . . 392 ARG CB . 17702 1 1096 . 2 2 13 13 ARG CG C 13 27.504 0.400 . 1 . . . . 392 ARG CG . 17702 1 1097 . 2 2 13 13 ARG CD C 13 43.443 0.400 . 1 . . . . 392 ARG CD . 17702 1 1098 . 2 2 13 13 ARG N N 15 120.251 0.400 . 1 . . . . 392 ARG N . 17702 1 1099 . 2 2 14 14 ILE HA H 1 3.895 0.020 . 1 . . . . 393 ILE HA . 17702 1 1100 . 2 2 14 14 ILE HG12 H 1 1.249 0.020 . 2 . . . . 393 ILE HG12 . 17702 1 1101 . 2 2 14 14 ILE HG13 H 1 1.249 0.020 . 2 . . . . 393 ILE HG13 . 17702 1 1102 . 2 2 14 14 ILE HG21 H 1 0.955 0.020 . 1 . . . . 393 ILE HG21 . 17702 1 1103 . 2 2 14 14 ILE HG22 H 1 0.955 0.020 . 1 . . . . 393 ILE HG23 . 17702 1 1104 . 2 2 14 14 ILE HG23 H 1 0.955 0.020 . 1 . . . . 393 ILE HG21 . 17702 1 1105 . 2 2 14 14 ILE HD11 H 1 0.902 0.020 . 1 . . . . 393 ILE HD13 . 17702 1 1106 . 2 2 14 14 ILE HD12 H 1 0.902 0.020 . 1 . . . . 393 ILE HD11 . 17702 1 1107 . 2 2 14 14 ILE HD13 H 1 0.902 0.020 . 1 . . . . 393 ILE HD13 . 17702 1 1108 . 2 2 14 14 ILE CA C 13 63.381 0.400 . 1 . . . . 393 ILE CA . 17702 1 1109 . 2 2 14 14 ILE CB C 13 38.571 0.400 . 1 . . . . 393 ILE CB . 17702 1 1110 . 2 2 14 14 ILE CG1 C 13 27.471 0.400 . 1 . . . . 393 ILE CG1 . 17702 1 1111 . 2 2 14 14 ILE CG2 C 13 17.567 0.400 . 1 . . . . 393 ILE CG2 . 17702 1 1112 . 2 2 14 14 ILE CD1 C 13 12.955 0.400 . 1 . . . . 393 ILE CD1 . 17702 1 1113 . 2 2 15 15 ARG HB2 H 1 1.920 0.020 . 2 . . . . 394 ARG HB2 . 17702 1 1114 . 2 2 15 15 ARG HB3 H 1 1.920 0.020 . 2 . . . . 394 ARG HB3 . 17702 1 1115 . 2 2 15 15 ARG HG2 H 1 1.806 0.020 . 2 . . . . 394 ARG HG2 . 17702 1 1116 . 2 2 15 15 ARG HG3 H 1 1.707 0.020 . 2 . . . . 394 ARG HG3 . 17702 1 1117 . 2 2 15 15 ARG HD2 H 1 3.246 0.020 . 2 . . . . 394 ARG HD2 . 17702 1 1118 . 2 2 15 15 ARG HD3 H 1 3.246 0.020 . 2 . . . . 394 ARG HD3 . 17702 1 1119 . 2 2 15 15 ARG CB C 13 30.505 0.400 . 1 . . . . 394 ARG CB . 17702 1 1120 . 2 2 15 15 ARG CG C 13 27.457 0.400 . 1 . . . . 394 ARG CG . 17702 1 1121 . 2 2 15 15 ARG CD C 13 42.417 0.400 . 1 . . . . 394 ARG CD . 17702 1 1122 . 2 2 16 16 ALA H H 1 8.040 0.020 . 1 . . . . 395 ALA H . 17702 1 1123 . 2 2 16 16 ALA HA H 1 4.173 0.020 . 1 . . . . 395 ALA HA . 17702 1 1124 . 2 2 16 16 ALA HB1 H 1 1.553 0.020 . 1 . . . . 395 ALA HB1 . 17702 1 1125 . 2 2 16 16 ALA HB2 H 1 1.553 0.020 . 1 . . . . 395 ALA HB3 . 17702 1 1126 . 2 2 16 16 ALA HB3 H 1 1.553 0.020 . 1 . . . . 395 ALA HB1 . 17702 1 1127 . 2 2 16 16 ALA CA C 13 53.793 0.400 . 1 . . . . 395 ALA CA . 17702 1 1128 . 2 2 16 16 ALA CB C 13 18.261 0.400 . 1 . . . . 395 ALA CB . 17702 1 1129 . 2 2 16 16 ALA N N 15 122.153 0.400 . 1 . . . . 395 ALA N . 17702 1 1130 . 2 2 17 17 LYS H H 1 7.901 0.020 . 1 . . . . 396 LYS H . 17702 1 1131 . 2 2 17 17 LYS HA H 1 4.180 0.020 . 1 . . . . 396 LYS HA . 17702 1 1132 . 2 2 17 17 LYS HB2 H 1 1.930 0.020 . 2 . . . . 396 LYS HB2 . 17702 1 1133 . 2 2 17 17 LYS HB3 H 1 1.930 0.020 . 2 . . . . 396 LYS HB3 . 17702 1 1134 . 2 2 17 17 LYS HG2 H 1 1.530 0.020 . 2 . . . . 396 LYS HG2 . 17702 1 1135 . 2 2 17 17 LYS HG3 H 1 1.530 0.020 . 2 . . . . 396 LYS HG3 . 17702 1 1136 . 2 2 17 17 LYS CA C 13 58.081 0.400 . 1 . . . . 396 LYS CA . 17702 1 1137 . 2 2 17 17 LYS CB C 13 32.859 0.400 . 1 . . . . 396 LYS CB . 17702 1 1138 . 2 2 17 17 LYS CG C 13 24.882 0.400 . 1 . . . . 396 LYS CG . 17702 1 1139 . 2 2 17 17 LYS N N 15 119.829 0.400 . 1 . . . . 396 LYS N . 17702 1 1140 . 2 2 18 18 GLU H H 1 8.258 0.020 . 1 . . . . 397 GLU H . 17702 1 1141 . 2 2 18 18 GLU HA H 1 4.195 0.020 . 1 . . . . 397 GLU HA . 17702 1 1142 . 2 2 18 18 GLU HB2 H 1 2.158 0.020 . 2 . . . . 397 GLU HB2 . 17702 1 1143 . 2 2 18 18 GLU HB3 H 1 2.158 0.020 . 2 . . . . 397 GLU HB3 . 17702 1 1144 . 2 2 18 18 GLU HG2 H 1 2.373 0.020 . 2 . . . . 397 GLU HG2 . 17702 1 1145 . 2 2 18 18 GLU HG3 H 1 2.373 0.020 . 2 . . . . 397 GLU HG3 . 17702 1 1146 . 2 2 18 18 GLU CA C 13 57.893 0.400 . 1 . . . . 397 GLU CA . 17702 1 1147 . 2 2 18 18 GLU CB C 13 30.078 0.400 . 1 . . . . 397 GLU CB . 17702 1 1148 . 2 2 18 18 GLU CG C 13 36.518 0.400 . 1 . . . . 397 GLU CG . 17702 1 1149 . 2 2 18 18 GLU N N 15 120.670 0.400 . 1 . . . . 397 GLU N . 17702 1 1150 . 2 2 19 19 ALA H H 1 8.034 0.020 . 1 . . . . 398 ALA H . 17702 1 1151 . 2 2 19 19 ALA HA H 1 4.173 0.020 . 1 . . . . 398 ALA HA . 17702 1 1152 . 2 2 19 19 ALA HB1 H 1 1.529 0.020 . 1 . . . . 398 ALA HB1 . 17702 1 1153 . 2 2 19 19 ALA HB2 H 1 1.529 0.020 . 1 . . . . 398 ALA HB3 . 17702 1 1154 . 2 2 19 19 ALA HB3 H 1 1.529 0.020 . 1 . . . . 398 ALA HB1 . 17702 1 1155 . 2 2 19 19 ALA CA C 13 53.793 0.400 . 1 . . . . 398 ALA CA . 17702 1 1156 . 2 2 19 19 ALA CB C 13 18.692 0.400 . 1 . . . . 398 ALA CB . 17702 1 1157 . 2 2 19 19 ALA N N 15 122.769 0.400 . 1 . . . . 398 ALA N . 17702 1 1158 . 2 2 20 20 GLN H H 1 7.957 0.020 . 1 . . . . 399 GLN H . 17702 1 1159 . 2 2 20 20 GLN HA H 1 4.203 0.020 . 1 . . . . 399 GLN HA . 17702 1 1160 . 2 2 20 20 GLN HB2 H 1 2.211 0.020 . 2 . . . . 399 GLN HB2 . 17702 1 1161 . 2 2 20 20 GLN HB3 H 1 2.211 0.020 . 2 . . . . 399 GLN HB3 . 17702 1 1162 . 2 2 20 20 GLN HG2 H 1 2.540 0.020 . 2 . . . . 399 GLN HG2 . 17702 1 1163 . 2 2 20 20 GLN HG3 H 1 2.540 0.020 . 2 . . . . 399 GLN HG3 . 17702 1 1164 . 2 2 20 20 GLN HE21 H 1 6.778 0.020 . 2 . . . . 399 GLN HE21 . 17702 1 1165 . 2 2 20 20 GLN HE22 H 1 7.684 0.020 . 2 . . . . 399 GLN HE22 . 17702 1 1166 . 2 2 20 20 GLN CA C 13 57.293 0.400 . 1 . . . . 399 GLN CA . 17702 1 1167 . 2 2 20 20 GLN CG C 13 34.008 0.400 . 1 . . . . 399 GLN CG . 17702 1 1168 . 2 2 20 20 GLN N N 15 117.541 0.400 . 1 . . . . 399 GLN N . 17702 1 1169 . 2 2 20 20 GLN NE2 N 15 112.320 0.400 . 1 . . . . 399 GLN NE2 . 17702 1 1170 . 2 2 21 21 LYS H H 1 7.973 0.020 . 1 . . . . 400 LYS H . 17702 1 1171 . 2 2 21 21 LYS HA H 1 4.242 0.020 . 1 . . . . 400 LYS HA . 17702 1 1172 . 2 2 21 21 LYS HB2 H 1 1.925 0.020 . 2 . . . . 400 LYS HB2 . 17702 1 1173 . 2 2 21 21 LYS HB3 H 1 1.925 0.020 . 2 . . . . 400 LYS HB3 . 17702 1 1174 . 2 2 21 21 LYS HD2 H 1 1.772 0.020 . 2 . . . . 400 LYS HD2 . 17702 1 1175 . 2 2 21 21 LYS HD3 H 1 1.772 0.020 . 2 . . . . 400 LYS HD3 . 17702 1 1176 . 2 2 21 21 LYS HE2 H 1 3.049 0.020 . 2 . . . . 400 LYS HE2 . 17702 1 1177 . 2 2 21 21 LYS HE3 H 1 3.049 0.020 . 2 . . . . 400 LYS HE3 . 17702 1 1178 . 2 2 21 21 LYS CA C 13 57.378 0.400 . 1 . . . . 400 LYS CA . 17702 1 1179 . 2 2 21 21 LYS CB C 13 32.897 0.400 . 1 . . . . 400 LYS CB . 17702 1 1180 . 2 2 21 21 LYS CD C 13 29.122 0.400 . 1 . . . . 400 LYS CD . 17702 1 1181 . 2 2 21 21 LYS CE C 13 42.023 0.400 . 1 . . . . 400 LYS CE . 17702 1 1182 . 2 2 21 21 LYS N N 15 120.530 0.400 . 1 . . . . 400 LYS N . 17702 1 1183 . 2 2 22 22 GLN H H 1 8.055 0.020 . 1 . . . . 401 GLN H . 17702 1 1184 . 2 2 22 22 GLN HA H 1 4.287 0.020 . 1 . . . . 401 GLN HA . 17702 1 1185 . 2 2 22 22 GLN HB2 H 1 2.190 0.020 . 2 . . . . 401 GLN HB2 . 17702 1 1186 . 2 2 22 22 GLN HB3 H 1 2.190 0.020 . 2 . . . . 401 GLN HB3 . 17702 1 1187 . 2 2 22 22 GLN HG2 H 1 2.498 0.020 . 2 . . . . 401 GLN HG2 . 17702 1 1188 . 2 2 22 22 GLN HG3 H 1 2.498 0.020 . 2 . . . . 401 GLN HG3 . 17702 1 1189 . 2 2 22 22 GLN HE21 H 1 6.847 0.020 . 2 . . . . 401 GLN HE21 . 17702 1 1190 . 2 2 22 22 GLN HE22 H 1 7.475 0.020 . 2 . . . . 401 GLN HE22 . 17702 1 1191 . 2 2 22 22 GLN CA C 13 57.039 0.400 . 1 . . . . 401 GLN CA . 17702 1 1192 . 2 2 22 22 GLN CB C 13 29.245 0.400 . 1 . . . . 401 GLN CB . 17702 1 1193 . 2 2 22 22 GLN CG C 13 33.628 0.400 . 1 . . . . 401 GLN CG . 17702 1 1194 . 2 2 22 22 GLN N N 15 119.041 0.400 . 1 . . . . 401 GLN N . 17702 1 1195 . 2 2 22 22 GLN NE2 N 15 111.950 0.400 . 1 . . . . 401 GLN NE2 . 17702 1 1196 . 2 2 23 23 LEU H H 1 7.975 0.020 . 1 . . . . 402 LEU H . 17702 1 1197 . 2 2 23 23 LEU HA H 1 4.286 0.020 . 1 . . . . 402 LEU HA . 17702 1 1198 . 2 2 23 23 LEU HB2 H 1 1.759 0.020 . 2 . . . . 402 LEU HB2 . 17702 1 1199 . 2 2 23 23 LEU HB3 H 1 1.759 0.020 . 2 . . . . 402 LEU HB3 . 17702 1 1200 . 2 2 23 23 LEU HD11 H 1 0.935 0.020 . 2 . . . . 402 LEU HD11 . 17702 1 1201 . 2 2 23 23 LEU HD12 H 1 0.935 0.020 . 2 . . . . 402 LEU HD13 . 17702 1 1202 . 2 2 23 23 LEU HD13 H 1 0.935 0.020 . 2 . . . . 402 LEU HD11 . 17702 1 1203 . 2 2 23 23 LEU HD21 H 1 0.992 0.020 . 2 . . . . 402 LEU HD23 . 17702 1 1204 . 2 2 23 23 LEU HD22 H 1 0.992 0.020 . 2 . . . . 402 LEU HD21 . 17702 1 1205 . 2 2 23 23 LEU HD23 H 1 0.992 0.020 . 2 . . . . 402 LEU HD23 . 17702 1 1206 . 2 2 23 23 LEU CD1 C 13 23.405 0.400 . 1 . . . . 402 LEU CD1 . 17702 1 1207 . 2 2 23 23 LEU CD2 C 13 25.149 0.400 . 1 . . . . 402 LEU CD2 . 17702 1 1208 . 2 2 23 23 LEU N N 15 121.434 0.400 . 1 . . . . 402 LEU N . 17702 1 1209 . 2 2 24 24 ALA HA H 1 4.309 0.020 . 1 . . . . 403 ALA HA . 17702 1 1210 . 2 2 24 24 ALA HB1 H 1 1.500 0.020 . 1 . . . . 403 ALA HB1 . 17702 1 1211 . 2 2 24 24 ALA HB2 H 1 1.500 0.020 . 1 . . . . 403 ALA HB3 . 17702 1 1212 . 2 2 24 24 ALA HB3 H 1 1.500 0.020 . 1 . . . . 403 ALA HB1 . 17702 1 1213 . 2 2 24 24 ALA CA C 13 53.302 0.400 . 1 . . . . 403 ALA CA . 17702 1 1214 . 2 2 24 24 ALA CB C 13 18.876 0.400 . 1 . . . . 403 ALA CB . 17702 1 1215 . 2 2 25 25 GLN H H 1 8.013 0.020 . 1 . . . . 404 GLN H . 17702 1 1216 . 2 2 25 25 GLN HA H 1 4.390 0.020 . 1 . . . . 404 GLN HA . 17702 1 1217 . 2 2 25 25 GLN HB2 H 1 2.099 0.020 . 2 . . . . 404 GLN HB2 . 17702 1 1218 . 2 2 25 25 GLN HB3 H 1 2.099 0.020 . 2 . . . . 404 GLN HB3 . 17702 1 1219 . 2 2 25 25 GLN HG2 H 1 2.470 0.020 . 2 . . . . 404 GLN HG2 . 17702 1 1220 . 2 2 25 25 GLN HG3 H 1 2.470 0.020 . 2 . . . . 404 GLN HG3 . 17702 1 1221 . 2 2 25 25 GLN CA C 13 55.867 0.400 . 1 . . . . 404 GLN CA . 17702 1 1222 . 2 2 25 25 GLN CB C 13 29.241 0.400 . 1 . . . . 404 GLN CB . 17702 1 1223 . 2 2 25 25 GLN CG C 13 33.866 0.400 . 1 . . . . 404 GLN CG . 17702 1 1224 . 2 2 25 25 GLN N N 15 117.507 0.400 . 1 . . . . 404 GLN N . 17702 1 1225 . 2 2 26 26 MET H H 1 8.091 0.020 . 1 . . . . 405 MET H . 17702 1 1226 . 2 2 26 26 MET HA H 1 4.491 0.020 . 1 . . . . 405 MET HA . 17702 1 1227 . 2 2 26 26 MET HB2 H 1 2.105 0.020 . 2 . . . . 405 MET HB2 . 17702 1 1228 . 2 2 26 26 MET HB3 H 1 2.105 0.020 . 2 . . . . 405 MET HB3 . 17702 1 1229 . 2 2 26 26 MET HG2 H 1 2.609 0.020 . 2 . . . . 405 MET HG2 . 17702 1 1230 . 2 2 26 26 MET HG3 H 1 2.609 0.020 . 2 . . . . 405 MET HG3 . 17702 1 1231 . 2 2 26 26 MET HE1 H 1 2.133 0.020 . 1 . . . . 405 MET HE1 . 17702 1 1232 . 2 2 26 26 MET HE2 H 1 2.133 0.020 . 1 . . . . 405 MET HE3 . 17702 1 1233 . 2 2 26 26 MET HE3 H 1 2.133 0.020 . 1 . . . . 405 MET HE1 . 17702 1 1234 . 2 2 26 26 MET CA C 13 55.926 0.400 . 1 . . . . 405 MET CA . 17702 1 1235 . 2 2 26 26 MET CG C 13 31.986 0.400 . 1 . . . . 405 MET CG . 17702 1 1236 . 2 2 26 26 MET CE C 13 17.075 0.400 . 1 . . . . 405 MET CE . 17702 1 1237 . 2 2 26 26 MET N N 15 120.069 0.400 . 1 . . . . 405 MET N . 17702 1 1238 . 2 2 27 27 THR H H 1 7.993 0.020 . 1 . . . . 406 THR H . 17702 1 1239 . 2 2 27 27 THR HA H 1 4.284 0.020 . 1 . . . . 406 THR HA . 17702 1 1240 . 2 2 27 27 THR HB H 1 4.041 0.020 . 1 . . . . 406 THR HB . 17702 1 1241 . 2 2 27 27 THR HG21 H 1 1.088 0.020 . 1 . . . . 406 THR HG21 . 17702 1 1242 . 2 2 27 27 THR HG22 H 1 1.088 0.020 . 1 . . . . 406 THR HG23 . 17702 1 1243 . 2 2 27 27 THR HG23 H 1 1.088 0.020 . 1 . . . . 406 THR HG21 . 17702 1 1244 . 2 2 27 27 THR CA C 13 61.734 0.400 . 1 . . . . 406 THR CA . 17702 1 1245 . 2 2 27 27 THR CB C 13 69.817 0.400 . 1 . . . . 406 THR CB . 17702 1 1246 . 2 2 27 27 THR CG2 C 13 21.586 0.400 . 1 . . . . 406 THR CG2 . 17702 1 1247 . 2 2 27 27 THR N N 15 114.768 0.400 . 1 . . . . 406 THR N . 17702 1 1248 . 2 2 28 28 ARG H H 1 7.989 0.020 . 1 . . . . 407 ARG H . 17702 1 1249 . 2 2 28 28 ARG HA H 1 4.309 0.020 . 1 . . . . 407 ARG HA . 17702 1 1250 . 2 2 28 28 ARG HB2 H 1 1.745 0.020 . 2 . . . . 407 ARG HB2 . 17702 1 1251 . 2 2 28 28 ARG HB3 H 1 1.606 0.020 . 2 . . . . 407 ARG HB3 . 17702 1 1252 . 2 2 28 28 ARG HG2 H 1 1.504 0.020 . 2 . . . . 407 ARG HG2 . 17702 1 1253 . 2 2 28 28 ARG HG3 H 1 1.504 0.020 . 2 . . . . 407 ARG HG3 . 17702 1 1254 . 2 2 28 28 ARG HD2 H 1 3.135 0.020 . 2 . . . . 407 ARG HD2 . 17702 1 1255 . 2 2 28 28 ARG HD3 H 1 3.135 0.020 . 2 . . . . 407 ARG HD3 . 17702 1 1256 . 2 2 28 28 ARG CB C 13 30.983 0.400 . 1 . . . . 407 ARG CB . 17702 1 1257 . 2 2 28 28 ARG CG C 13 26.962 0.400 . 1 . . . . 407 ARG CG . 17702 1 1258 . 2 2 28 28 ARG CD C 13 43.273 0.400 . 1 . . . . 407 ARG CD . 17702 1 1259 . 2 2 28 28 ARG N N 15 123.342 0.400 . 1 . . . . 407 ARG N . 17702 1 stop_ save_