data_18697 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18697 _Entry.Title ; 1H, 13C and 15N resonance assignment of the N-terminal domain of human lysyl aminoacyl tRNA synthetase complexed with anticodon stem-loop of tRNALys,3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-31 _Entry.Accession_date 2012-08-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sheng Liu . . . 18697 2 Pearl Tsang . . . 18697 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 18697 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 522 18697 '15N chemical shifts' 145 18697 '1H chemical shifts' 652 18697 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-19 2012-08-31 update BMRB 'update entry citation' 18697 1 . . 2012-10-18 2012-08-31 original author 'original release' 18697 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18696 rmodN 18697 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18697 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23065336 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignment of the N-terminal domain of human lysyl aminoacyl tRNA synthetase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _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 289 _Citation.Page_last 292 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sheng Liu . . . 18697 1 2 Aaron Decker . . . 18697 1 3 Mike Howell . . . 18697 1 4 Carol Caperelli . . . 18697 1 5 Pearl Tsang . . . 18697 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HIV-1 18697 1 LysRS 18697 1 'N-terminal domain' 18697 1 'RNA-protein complex' 18697 1 tRNALys,3 18697 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18697 _Assembly.ID 1 _Assembly.Name 'rmodN-ACSL complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13644 _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 rmodN 1 $rmodN A . yes native no no . . . 18697 1 2 rmodN_isoD62 2 $rmodN_isoD62 B . yes native no no . . . 18697 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rmodN _Entity.Sf_category entity _Entity.Sf_framecode rmodN _Entity.Entry_ID 18697 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name rmodN _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAAVQAAEVKVDGSEPKLSK NELKRRLKAEKKVAEKEAKQ KELSEKQLSQATAAATNHTT DNGVLPETGGHHHHHH ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain of human LysRS' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8311 _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 18696 . rmodN . . . . . 100.00 76 100.00 100.00 3.29e-44 . . . . 18697 1 2 no DBJ BAA06688 . "KIAA0070 [Homo sapiens]" . . . . . 88.16 597 98.51 98.51 7.75e-32 . . . . 18697 1 3 no DBJ BAA22084 . "Lysyl tRNA Synthetase [Homo sapiens]" . . . . . 88.16 597 98.51 98.51 7.75e-32 . . . . 18697 1 4 no DBJ BAC86604 . "unnamed protein product [Homo sapiens]" . . . . . 88.16 423 98.51 98.51 1.77e-32 . . . . 18697 1 5 no DBJ BAG09591 . "lysyl-tRNA synthetase [synthetic construct]" . . . . . 88.16 597 98.51 98.51 7.75e-32 . . . . 18697 1 6 no GB AAH04132 . "Lysyl-tRNA synthetase [Homo sapiens]" . . . . . 88.16 597 98.51 98.51 7.75e-32 . . . . 18697 1 7 no GB ABM83227 . "lysyl-tRNA synthetase [synthetic construct]" . . . . . 88.16 597 98.51 98.51 7.75e-32 . . . . 18697 1 8 no GB ABM86426 . "lysyl-tRNA synthetase [synthetic construct]" . . . . . 88.16 597 98.51 98.51 7.75e-32 . . . . 18697 1 9 no GB AIC54646 . "KARS, partial [synthetic construct]" . . . . . 88.16 597 98.51 98.51 7.75e-32 . . . . 18697 1 10 no GB EAW95620 . "lysyl-tRNA synthetase, isoform CRA_b [Homo sapiens]" . . . . . 88.16 597 98.51 98.51 7.75e-32 . . . . 18697 1 11 no REF NP_005539 . "lysine--tRNA ligase isoform 2 [Homo sapiens]" . . . . . 88.16 597 98.51 98.51 7.75e-32 . . . . 18697 1 12 no REF XP_003260017 . "PREDICTED: lysine--tRNA ligase isoform X2 [Nomascus leucogenys]" . . . . . 88.16 597 98.51 98.51 7.99e-32 . . . . 18697 1 13 no REF XP_003829594 . "PREDICTED: lysine--tRNA ligase isoform X2 [Pan paniscus]" . . . . . 88.16 611 98.51 98.51 7.66e-32 . . . . 18697 1 14 no REF XP_004058057 . "PREDICTED: lysine--tRNA ligase isoform 1 [Gorilla gorilla gorilla]" . . . . . 88.16 597 97.01 97.01 1.33e-22 . . . . 18697 1 15 no REF XP_009249230 . "PREDICTED: lysine--tRNA ligase isoform X1 [Pongo abelii]" . . . . . 88.16 597 98.51 98.51 7.75e-32 . . . . 18697 1 16 no SP Q15046 . "RecName: Full=Lysine--tRNA ligase; AltName: Full=Lysyl-tRNA synthetase; Short=LysRS" . . . . . 88.16 597 98.51 98.51 7.75e-32 . . . . 18697 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 1 MET . 18697 1 2 2 ALA . 18697 1 3 3 ALA . 18697 1 4 4 VAL . 18697 1 5 5 GLN . 18697 1 6 6 ALA . 18697 1 7 7 ALA . 18697 1 8 8 GLU . 18697 1 9 9 VAL . 18697 1 10 10 LYS . 18697 1 11 11 VAL . 18697 1 12 12 ASP . 18697 1 13 13 GLY . 18697 1 14 14 SER . 18697 1 15 15 GLU . 18697 1 16 16 PRO . 18697 1 17 17 LYS . 18697 1 18 18 LEU . 18697 1 19 19 SER . 18697 1 20 20 LYS . 18697 1 21 21 ASN . 18697 1 22 22 GLU . 18697 1 23 23 LEU . 18697 1 24 24 LYS . 18697 1 25 25 ARG . 18697 1 26 26 ARG . 18697 1 27 27 LEU . 18697 1 28 28 LYS . 18697 1 29 29 ALA . 18697 1 30 30 GLU . 18697 1 31 31 LYS . 18697 1 32 32 LYS . 18697 1 33 33 VAL . 18697 1 34 34 ALA . 18697 1 35 35 GLU . 18697 1 36 36 LYS . 18697 1 37 37 GLU . 18697 1 38 38 ALA . 18697 1 39 39 LYS . 18697 1 40 40 GLN . 18697 1 41 41 LYS . 18697 1 42 42 GLU . 18697 1 43 43 LEU . 18697 1 44 44 SER . 18697 1 45 45 GLU . 18697 1 46 46 LYS . 18697 1 47 47 GLN . 18697 1 48 48 LEU . 18697 1 49 49 SER . 18697 1 50 50 GLN . 18697 1 51 51 ALA . 18697 1 52 52 THR . 18697 1 53 53 ALA . 18697 1 54 54 ALA . 18697 1 55 55 ALA . 18697 1 56 56 THR . 18697 1 57 57 ASN . 18697 1 58 58 HIS . 18697 1 59 59 THR . 18697 1 60 60 THR . 18697 1 61 61 ASP . 18697 1 62 62 ASN . 18697 1 63 63 GLY . 18697 1 64 64 VAL . 18697 1 65 65 LEU . 18697 1 66 66 PRO . 18697 1 67 67 GLU . 18697 1 68 68 THR . 18697 1 69 69 GLY . 18697 1 70 70 GLY . 18697 1 71 71 HIS . 18697 1 72 72 HIS . 18697 1 73 73 HIS . 18697 1 74 74 HIS . 18697 1 75 75 HIS . 18697 1 76 76 HIS . 18697 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18697 1 . ALA 2 2 18697 1 . ALA 3 3 18697 1 . VAL 4 4 18697 1 . GLN 5 5 18697 1 . ALA 6 6 18697 1 . ALA 7 7 18697 1 . GLU 8 8 18697 1 . VAL 9 9 18697 1 . LYS 10 10 18697 1 . VAL 11 11 18697 1 . ASP 12 12 18697 1 . GLY 13 13 18697 1 . SER 14 14 18697 1 . GLU 15 15 18697 1 . PRO 16 16 18697 1 . LYS 17 17 18697 1 . LEU 18 18 18697 1 . SER 19 19 18697 1 . LYS 20 20 18697 1 . ASN 21 21 18697 1 . GLU 22 22 18697 1 . LEU 23 23 18697 1 . LYS 24 24 18697 1 . ARG 25 25 18697 1 . ARG 26 26 18697 1 . LEU 27 27 18697 1 . LYS 28 28 18697 1 . ALA 29 29 18697 1 . GLU 30 30 18697 1 . LYS 31 31 18697 1 . LYS 32 32 18697 1 . VAL 33 33 18697 1 . ALA 34 34 18697 1 . GLU 35 35 18697 1 . LYS 36 36 18697 1 . GLU 37 37 18697 1 . ALA 38 38 18697 1 . LYS 39 39 18697 1 . GLN 40 40 18697 1 . LYS 41 41 18697 1 . GLU 42 42 18697 1 . LEU 43 43 18697 1 . SER 44 44 18697 1 . GLU 45 45 18697 1 . LYS 46 46 18697 1 . GLN 47 47 18697 1 . LEU 48 48 18697 1 . SER 49 49 18697 1 . GLN 50 50 18697 1 . ALA 51 51 18697 1 . THR 52 52 18697 1 . ALA 53 53 18697 1 . ALA 54 54 18697 1 . ALA 55 55 18697 1 . THR 56 56 18697 1 . ASN 57 57 18697 1 . HIS 58 58 18697 1 . THR 59 59 18697 1 . THR 60 60 18697 1 . ASP 61 61 18697 1 . ASN 62 62 18697 1 . GLY 63 63 18697 1 . VAL 64 64 18697 1 . LEU 65 65 18697 1 . PRO 66 66 18697 1 . GLU 67 67 18697 1 . THR 68 68 18697 1 . GLY 69 69 18697 1 . GLY 70 70 18697 1 . HIS 71 71 18697 1 . HIS 72 72 18697 1 . HIS 73 73 18697 1 . HIS 74 74 18697 1 . HIS 75 75 18697 1 . HIS 76 76 18697 1 stop_ save_ save_rmodN_isoD62 _Entity.Sf_category entity _Entity.Sf_framecode rmodN_isoD62 _Entity.Entry_ID 18697 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name rmodN_isoD62 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAAVQAAEVKVDGSEPKLSK NELKRRLKAEKKVAEKEAKQ KELSEKQLSQATAAATNHTT DDGVLPETGGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N62 deamidate into isoD62' _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8312 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 18696 . rmodN_isoD62 . . . . . 100.00 76 100.00 100.00 2.34e-44 . . . . 18697 2 2 no DBJ BAA06688 . "KIAA0070 [Homo sapiens]" . . . . . 88.16 601 97.01 98.51 2.28e-23 . . . . 18697 2 3 no DBJ BAA22084 . "Lysyl tRNA Synthetase [Homo sapiens]" . . . . . 88.16 597 97.01 98.51 2.43e-23 . . . . 18697 2 4 no DBJ BAC86604 . "unnamed protein product [Homo sapiens]" . . . . . 88.16 423 97.01 98.51 3.40e-22 . . . . 18697 2 5 no DBJ BAG09591 . "lysyl-tRNA synthetase [synthetic construct]" . . . . . 88.16 597 97.01 98.51 2.34e-23 . . . . 18697 2 6 no GB AAH04132 . "Lysyl-tRNA synthetase [Homo sapiens]" . . . . . 88.16 597 97.01 98.51 2.43e-23 . . . . 18697 2 7 no GB ABM83227 . "lysyl-tRNA synthetase [synthetic construct]" . . . . . 88.16 597 97.01 98.51 2.43e-23 . . . . 18697 2 8 no GB ABM86426 . "lysyl-tRNA synthetase [synthetic construct]" . . . . . 88.16 597 97.01 98.51 2.43e-23 . . . . 18697 2 9 no GB AIC54646 . "KARS, partial [synthetic construct]" . . . . . 88.16 597 97.01 98.51 2.43e-23 . . . . 18697 2 10 no GB EAW95620 . "lysyl-tRNA synthetase, isoform CRA_b [Homo sapiens]" . . . . . 88.16 597 97.01 98.51 2.43e-23 . . . . 18697 2 11 no REF NP_005539 . "lysine--tRNA ligase isoform 2 [Homo sapiens]" . . . . . 88.16 597 97.01 98.51 2.43e-23 . . . . 18697 2 12 no REF XP_003260017 . "PREDICTED: lysine--tRNA ligase isoform 1 [Nomascus leucogenys]" . . . . . 88.16 597 97.01 98.51 2.25e-23 . . . . 18697 2 13 no REF XP_003829594 . "PREDICTED: lysine--tRNA ligase isoform X2 [Pan paniscus]" . . . . . 88.16 611 97.01 98.51 6.24e-22 . . . . 18697 2 14 no REF XP_009249230 . "PREDICTED: lysine--tRNA ligase isoform X1 [Pongo abelii]" . . . . . 88.16 597 97.01 98.51 2.41e-23 . . . . 18697 2 15 no REF XP_511115 . "PREDICTED: lysine--tRNA ligase isoform X2 [Pan troglodytes]" . . . . . 88.16 611 97.01 98.51 6.18e-22 . . . . 18697 2 16 no SP Q15046 . "RecName: Full=Lysine--tRNA ligase; AltName: Full=Lysyl-tRNA synthetase; Short=LysRS [Homo sapiens]" . . . . . 88.16 597 97.01 98.51 2.43e-23 . . . . 18697 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 18697 2 2 2 ALA . 18697 2 3 3 ALA . 18697 2 4 4 VAL . 18697 2 5 5 GLN . 18697 2 6 6 ALA . 18697 2 7 7 ALA . 18697 2 8 8 GLU . 18697 2 9 9 VAL . 18697 2 10 10 LYS . 18697 2 11 11 VAL . 18697 2 12 12 ASP . 18697 2 13 13 GLY . 18697 2 14 14 SER . 18697 2 15 15 GLU . 18697 2 16 16 PRO . 18697 2 17 17 LYS . 18697 2 18 18 LEU . 18697 2 19 19 SER . 18697 2 20 20 LYS . 18697 2 21 21 ASN . 18697 2 22 22 GLU . 18697 2 23 23 LEU . 18697 2 24 24 LYS . 18697 2 25 25 ARG . 18697 2 26 26 ARG . 18697 2 27 27 LEU . 18697 2 28 28 LYS . 18697 2 29 29 ALA . 18697 2 30 30 GLU . 18697 2 31 31 LYS . 18697 2 32 32 LYS . 18697 2 33 33 VAL . 18697 2 34 34 ALA . 18697 2 35 35 GLU . 18697 2 36 36 LYS . 18697 2 37 37 GLU . 18697 2 38 38 ALA . 18697 2 39 39 LYS . 18697 2 40 40 GLN . 18697 2 41 41 LYS . 18697 2 42 42 GLU . 18697 2 43 43 LEU . 18697 2 44 44 SER . 18697 2 45 45 GLU . 18697 2 46 46 LYS . 18697 2 47 47 GLN . 18697 2 48 48 LEU . 18697 2 49 49 SER . 18697 2 50 50 GLN . 18697 2 51 51 ALA . 18697 2 52 52 THR . 18697 2 53 53 ALA . 18697 2 54 54 ALA . 18697 2 55 55 ALA . 18697 2 56 56 THR . 18697 2 57 57 ASN . 18697 2 58 58 HIS . 18697 2 59 59 THR . 18697 2 60 60 THR . 18697 2 61 61 ASP . 18697 2 62 62 ASP . 18697 2 63 63 GLY . 18697 2 64 64 VAL . 18697 2 65 65 LEU . 18697 2 66 66 PRO . 18697 2 67 67 GLU . 18697 2 68 68 THR . 18697 2 69 69 GLY . 18697 2 70 70 GLY . 18697 2 71 71 HIS . 18697 2 72 72 HIS . 18697 2 73 73 HIS . 18697 2 74 74 HIS . 18697 2 75 75 HIS . 18697 2 76 76 HIS . 18697 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 . MET 1 1 18697 2 . ALA 2 2 18697 2 . ALA 3 3 18697 2 . VAL 4 4 18697 2 . GLN 5 5 18697 2 . ALA 6 6 18697 2 . ALA 7 7 18697 2 . GLU 8 8 18697 2 . VAL 9 9 18697 2 . LYS 10 10 18697 2 . VAL 11 11 18697 2 . ASP 12 12 18697 2 . GLY 13 13 18697 2 . SER 14 14 18697 2 . GLU 15 15 18697 2 . PRO 16 16 18697 2 . LYS 17 17 18697 2 . LEU 18 18 18697 2 . SER 19 19 18697 2 . LYS 20 20 18697 2 . ASN 21 21 18697 2 . GLU 22 22 18697 2 . LEU 23 23 18697 2 . LYS 24 24 18697 2 . ARG 25 25 18697 2 . ARG 26 26 18697 2 . LEU 27 27 18697 2 . LYS 28 28 18697 2 . ALA 29 29 18697 2 . GLU 30 30 18697 2 . LYS 31 31 18697 2 . LYS 32 32 18697 2 . VAL 33 33 18697 2 . ALA 34 34 18697 2 . GLU 35 35 18697 2 . LYS 36 36 18697 2 . GLU 37 37 18697 2 . ALA 38 38 18697 2 . LYS 39 39 18697 2 . GLN 40 40 18697 2 . LYS 41 41 18697 2 . GLU 42 42 18697 2 . LEU 43 43 18697 2 . SER 44 44 18697 2 . GLU 45 45 18697 2 . LYS 46 46 18697 2 . GLN 47 47 18697 2 . LEU 48 48 18697 2 . SER 49 49 18697 2 . GLN 50 50 18697 2 . ALA 51 51 18697 2 . THR 52 52 18697 2 . ALA 53 53 18697 2 . ALA 54 54 18697 2 . ALA 55 55 18697 2 . THR 56 56 18697 2 . ASN 57 57 18697 2 . HIS 58 58 18697 2 . THR 59 59 18697 2 . THR 60 60 18697 2 . ASP 61 61 18697 2 . ASP 62 62 18697 2 . GLY 63 63 18697 2 . VAL 64 64 18697 2 . LEU 65 65 18697 2 . PRO 66 66 18697 2 . GLU 67 67 18697 2 . THR 68 68 18697 2 . GLY 69 69 18697 2 . GLY 70 70 18697 2 . HIS 71 71 18697 2 . HIS 72 72 18697 2 . HIS 73 73 18697 2 . HIS 74 74 18697 2 . HIS 75 75 18697 2 . HIS 76 76 18697 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 18697 _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 $rmodN . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . LysRS . 'N-terminal domain of human LysRS' . . 18697 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 18697 _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 $rmodN . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pET-30a . . . . . . 18697 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18697 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM sodium phosphate, 15 mM NaCl, 35 mM KCl, 1 mM EDTA, 10% D2O (v/v) and 0.02% NaN3, pH 6.0, 298.15 K.' _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 rmodN '[U-100% 13C; U-100% 15N]' . . 1 $rmodN . . 200 . . uM 10 . . . 18697 1 2 ACSL 'natural abundance' . . . . . . 400 . . uM 10 . . . 18697 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 10 . . . 18697 1 4 NaCl 'natural abundance' . . . . . . 15 . . mM 10 . . . 18697 1 5 KCl 'natural abundance' . . . . . . 35 . . mM 10 . . . 18697 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM 10 . . . 18697 1 7 D2O 'natural abundance' . . . . . . 10 . . % 10 . . . 18697 1 8 H2O 'natural abundance' . . . . . . 90 . . % 10 . . . 18697 1 9 NaN3 'natural abundance' . . . . . . 0.02 . . % 10 . . . 18697 1 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 18697 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM sodium phosphate, 15 mM NaCl, 35 mM KCl, 1 mM EDTA, 10% D2O (v/v) and 0.02% NaN3, pH 6.0, 298.15 K.' 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' 70 . mM 18697 1 pH 6.0 . pH 18697 1 pressure 1 . atm 18697 1 temperature 298.15 . K 18697 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18697 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard 'University of California, San Francisco' . 18697 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18697 1 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 18697 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18697 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18697 _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 . 800 . . . 18697 1 2 spectrometer_2 Varian INOVA . 600 . . . 18697 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 18697 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18697 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18697 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18697 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18697 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18697 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18697 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 18697 _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 . . . . . . . . . 18697 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18697 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18697 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 18697 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Error values are based on spectral quality.' _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' . . . 18697 1 2 '3D HNCACB' . . . 18697 1 3 '3D HNCO' . . . 18697 1 4 '3D C(CO)NH' . . . 18697 1 5 '3D H(CCO)NH' . . . 18697 1 6 '3D 1H-15N TOCSY' . . . 18697 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.374 0.02 . 1 . . . . 2 ALA HA . 18697 1 2 . 1 1 2 2 ALA HB1 H 1 1.407 0.02 . 1 . . . . 2 ALA HB . 18697 1 3 . 1 1 2 2 ALA HB2 H 1 1.407 0.02 . 1 . . . . 2 ALA HB . 18697 1 4 . 1 1 2 2 ALA HB3 H 1 1.407 0.02 . 1 . . . . 2 ALA HB . 18697 1 5 . 1 1 2 2 ALA C C 13 176.971 0.2 . 1 . . . . 2 ALA C . 18697 1 6 . 1 1 2 2 ALA CA C 13 52.434 0.2 . 1 . . . . 2 ALA CA . 18697 1 7 . 1 1 2 2 ALA CB C 13 19.358 0.2 . 1 . . . . 2 ALA CB . 18697 1 8 . 1 1 3 3 ALA H H 1 8.415 0.02 . 1 . . . . 3 ALA H . 18697 1 9 . 1 1 3 3 ALA HA H 1 4.327 0.02 . 1 . . . . 3 ALA HA . 18697 1 10 . 1 1 3 3 ALA HB1 H 1 1.385 0.02 . 1 . . . . 3 ALA HB . 18697 1 11 . 1 1 3 3 ALA HB2 H 1 1.385 0.02 . 1 . . . . 3 ALA HB . 18697 1 12 . 1 1 3 3 ALA HB3 H 1 1.385 0.02 . 1 . . . . 3 ALA HB . 18697 1 13 . 1 1 3 3 ALA C C 13 177.755 0.2 . 1 . . . . 3 ALA C . 18697 1 14 . 1 1 3 3 ALA CA C 13 52.427 0.2 . 1 . . . . 3 ALA CA . 18697 1 15 . 1 1 3 3 ALA CB C 13 19.288 0.2 . 1 . . . . 3 ALA CB . 18697 1 16 . 1 1 3 3 ALA N N 15 125.033 0.2 . 1 . . . . 3 ALA N . 18697 1 17 . 1 1 4 4 VAL H H 1 8.145 0.02 . 1 . . . . 4 VAL H . 18697 1 18 . 1 1 4 4 VAL HA H 1 4.086 0.02 . 1 . . . . 4 VAL HA . 18697 1 19 . 1 1 4 4 VAL HB H 1 2.043 0.02 . 1 . . . . 4 VAL HB . 18697 1 20 . 1 1 4 4 VAL HG11 H 1 0.939 0.02 . 2 . . . . 4 VAL HG1 . 18697 1 21 . 1 1 4 4 VAL HG12 H 1 0.939 0.02 . 2 . . . . 4 VAL HG1 . 18697 1 22 . 1 1 4 4 VAL HG13 H 1 0.939 0.02 . 2 . . . . 4 VAL HG1 . 18697 1 23 . 1 1 4 4 VAL C C 13 176.207 0.2 . 1 . . . . 4 VAL C . 18697 1 24 . 1 1 4 4 VAL CA C 13 62.268 0.2 . 1 . . . . 4 VAL CA . 18697 1 25 . 1 1 4 4 VAL CB C 13 32.938 0.2 . 1 . . . . 4 VAL CB . 18697 1 26 . 1 1 4 4 VAL CG1 C 13 20.93 0.2 . 2 . . . . 4 VAL CG1 . 18697 1 27 . 1 1 4 4 VAL N N 15 120.489 0.2 . 1 . . . . 4 VAL N . 18697 1 28 . 1 1 5 5 GLN H H 1 8.455 0.02 . 1 . . . . 5 GLN H . 18697 1 29 . 1 1 5 5 GLN HA H 1 4.332 0.02 . 1 . . . . 5 GLN HA . 18697 1 30 . 1 1 5 5 GLN HB2 H 1 2.091 0.02 . 2 . . . . 5 GLN HB2 . 18697 1 31 . 1 1 5 5 GLN HB3 H 1 1.98 0.02 . 2 . . . . 5 GLN HB3 . 18697 1 32 . 1 1 5 5 GLN HG2 H 1 2.372 0.02 . 2 . . . . 5 GLN HG2 . 18697 1 33 . 1 1 5 5 GLN C C 13 175.58 0.2 . 1 . . . . 5 GLN C . 18697 1 34 . 1 1 5 5 GLN CA C 13 55.676 0.2 . 1 . . . . 5 GLN CA . 18697 1 35 . 1 1 5 5 GLN CB C 13 29.66 0.2 . 1 . . . . 5 GLN CB . 18697 1 36 . 1 1 5 5 GLN CG C 13 33.845 0.2 . 1 . . . . 5 GLN CG . 18697 1 37 . 1 1 5 5 GLN N N 15 125.338 0.2 . 1 . . . . 5 GLN N . 18697 1 38 . 1 1 6 6 ALA H H 1 8.39 0.02 . 1 . . . . 6 ALA H . 18697 1 39 . 1 1 6 6 ALA HA H 1 4.285 0.02 . 1 . . . . 6 ALA HA . 18697 1 40 . 1 1 6 6 ALA HB1 H 1 1.394 0.02 . 1 . . . . 6 ALA HB . 18697 1 41 . 1 1 6 6 ALA HB2 H 1 1.394 0.02 . 1 . . . . 6 ALA HB . 18697 1 42 . 1 1 6 6 ALA HB3 H 1 1.394 0.02 . 1 . . . . 6 ALA HB . 18697 1 43 . 1 1 6 6 ALA C C 13 177.376 0.2 . 1 . . . . 6 ALA C . 18697 1 44 . 1 1 6 6 ALA CA C 13 52.554 0.2 . 1 . . . . 6 ALA CA . 18697 1 45 . 1 1 6 6 ALA CB C 13 19.391 0.2 . 1 . . . . 6 ALA CB . 18697 1 46 . 1 1 6 6 ALA N N 15 126.926 0.2 . 1 . . . . 6 ALA N . 18697 1 47 . 1 1 7 7 ALA H H 1 8.276 0.02 . 1 . . . . 7 ALA H . 18697 1 48 . 1 1 7 7 ALA HA H 1 4.294 0.02 . 1 . . . . 7 ALA HA . 18697 1 49 . 1 1 7 7 ALA HB1 H 1 1.388 0.02 . 1 . . . . 7 ALA HB . 18697 1 50 . 1 1 7 7 ALA HB2 H 1 1.388 0.02 . 1 . . . . 7 ALA HB . 18697 1 51 . 1 1 7 7 ALA HB3 H 1 1.388 0.02 . 1 . . . . 7 ALA HB . 18697 1 52 . 1 1 7 7 ALA C C 13 177.699 0.2 . 1 . . . . 7 ALA C . 18697 1 53 . 1 1 7 7 ALA CA C 13 52.472 0.2 . 1 . . . . 7 ALA CA . 18697 1 54 . 1 1 7 7 ALA CB C 13 19.406 0.2 . 1 . . . . 7 ALA CB . 18697 1 55 . 1 1 7 7 ALA N N 15 124.002 0.2 . 1 . . . . 7 ALA N . 18697 1 56 . 1 1 8 8 GLU H H 1 8.339 0.02 . 1 . . . . 8 GLU H . 18697 1 57 . 1 1 8 8 GLU HA H 1 4.285 0.02 . 1 . . . . 8 GLU HA . 18697 1 58 . 1 1 8 8 GLU HB2 H 1 2.01 0.02 . 2 . . . . 8 GLU HB2 . 18697 1 59 . 1 1 8 8 GLU HB3 H 1 1.947 0.02 . 2 . . . . 8 GLU HB3 . 18697 1 60 . 1 1 8 8 GLU HG2 H 1 2.269 0.02 . 2 . . . . 8 GLU HG2 . 18697 1 61 . 1 1 8 8 GLU HG3 H 1 2.217 0.02 . 2 . . . . 8 GLU HG3 . 18697 1 62 . 1 1 8 8 GLU C C 13 176.336 0.2 . 1 . . . . 8 GLU C . 18697 1 63 . 1 1 8 8 GLU CA C 13 56.469 0.2 . 1 . . . . 8 GLU CA . 18697 1 64 . 1 1 8 8 GLU CB C 13 30.474 0.2 . 1 . . . . 8 GLU CB . 18697 1 65 . 1 1 8 8 GLU CG C 13 36.238 0.2 . 1 . . . . 8 GLU CG . 18697 1 66 . 1 1 8 8 GLU N N 15 120.986 0.2 . 1 . . . . 8 GLU N . 18697 1 67 . 1 1 9 9 VAL H H 1 8.18 0.02 . 1 . . . . 9 VAL H . 18697 1 68 . 1 1 9 9 VAL HA H 1 4.078 0.02 . 1 . . . . 9 VAL HA . 18697 1 69 . 1 1 9 9 VAL HB H 1 2.033 0.02 . 1 . . . . 9 VAL HB . 18697 1 70 . 1 1 9 9 VAL HG11 H 1 0.926 0.02 . 2 . . . . 9 VAL HG1 . 18697 1 71 . 1 1 9 9 VAL HG12 H 1 0.926 0.02 . 2 . . . . 9 VAL HG1 . 18697 1 72 . 1 1 9 9 VAL HG13 H 1 0.926 0.02 . 2 . . . . 9 VAL HG1 . 18697 1 73 . 1 1 9 9 VAL C C 13 175.88 0.2 . 1 . . . . 9 VAL C . 18697 1 74 . 1 1 9 9 VAL CA C 13 62.284 0.2 . 1 . . . . 9 VAL CA . 18697 1 75 . 1 1 9 9 VAL CB C 13 32.776 0.2 . 1 . . . . 9 VAL CB . 18697 1 76 . 1 1 9 9 VAL CG1 C 13 20.985 0.2 . 2 . . . . 9 VAL CG1 . 18697 1 77 . 1 1 9 9 VAL N N 15 123.149 0.2 . 1 . . . . 9 VAL N . 18697 1 78 . 1 1 10 10 LYS H H 1 8.453 0.02 . 1 . . . . 10 LYS H . 18697 1 79 . 1 1 10 10 LYS HA H 1 4.409 0.02 . 1 . . . . 10 LYS HA . 18697 1 80 . 1 1 10 10 LYS HB2 H 1 1.796 0.02 . 2 . . . . 10 LYS HB2 . 18697 1 81 . 1 1 10 10 LYS HB3 H 1 1.75 0.02 . 2 . . . . 10 LYS HB3 . 18697 1 82 . 1 1 10 10 LYS HG2 H 1 1.404 0.02 . 2 . . . . 10 LYS HG2 . 18697 1 83 . 1 1 10 10 LYS HD2 H 1 1.678 0.02 . 2 . . . . 10 LYS HD2 . 18697 1 84 . 1 1 10 10 LYS HE2 H 1 2.989 0.02 . 2 . . . . 10 LYS HE2 . 18697 1 85 . 1 1 10 10 LYS C C 13 176.476 0.2 . 1 . . . . 10 LYS C . 18697 1 86 . 1 1 10 10 LYS CA C 13 55.923 0.2 . 1 . . . . 10 LYS CA . 18697 1 87 . 1 1 10 10 LYS CB C 13 33.206 0.2 . 1 . . . . 10 LYS CB . 18697 1 88 . 1 1 10 10 LYS CG C 13 24.754 0.2 . 1 . . . . 10 LYS CG . 18697 1 89 . 1 1 10 10 LYS CD C 13 29.084 0.2 . 1 . . . . 10 LYS CD . 18697 1 90 . 1 1 10 10 LYS CE C 13 42.414 0.2 . 1 . . . . 10 LYS CE . 18697 1 91 . 1 1 10 10 LYS N N 15 127.108 0.2 . 1 . . . . 10 LYS N . 18697 1 92 . 1 1 11 11 VAL H H 1 8.344 0.02 . 1 . . . . 11 VAL H . 18697 1 93 . 1 1 11 11 VAL HA H 1 4.168 0.02 . 1 . . . . 11 VAL HA . 18697 1 94 . 1 1 11 11 VAL HB H 1 2.094 0.02 . 1 . . . . 11 VAL HB . 18697 1 95 . 1 1 11 11 VAL HG11 H 1 0.927 0.02 . 2 . . . . 11 VAL HG1 . 18697 1 96 . 1 1 11 11 VAL HG12 H 1 0.927 0.02 . 2 . . . . 11 VAL HG1 . 18697 1 97 . 1 1 11 11 VAL HG13 H 1 0.927 0.02 . 2 . . . . 11 VAL HG1 . 18697 1 98 . 1 1 11 11 VAL C C 13 176.006 0.2 . 1 . . . . 11 VAL C . 18697 1 99 . 1 1 11 11 VAL CA C 13 62.085 0.2 . 1 . . . . 11 VAL CA . 18697 1 100 . 1 1 11 11 VAL CB C 13 32.937 0.2 . 1 . . . . 11 VAL CB . 18697 1 101 . 1 1 11 11 VAL CG1 C 13 21.13 0.2 . 2 . . . . 11 VAL CG1 . 18697 1 102 . 1 1 11 11 VAL CG2 C 13 20.517 0.2 . 2 . . . . 11 VAL CG2 . 18697 1 103 . 1 1 11 11 VAL N N 15 122.994 0.2 . 1 . . . . 11 VAL N . 18697 1 104 . 1 1 12 12 ASP H H 1 8.513 0.02 . 1 . . . . 12 ASP H . 18697 1 105 . 1 1 12 12 ASP HA H 1 4.628 0.02 . 1 . . . . 12 ASP HA . 18697 1 106 . 1 1 12 12 ASP HB2 H 1 2.702 0.02 . 2 . . . . 12 ASP HB2 . 18697 1 107 . 1 1 12 12 ASP C C 13 176.84 0.2 . 1 . . . . 12 ASP C . 18697 1 108 . 1 1 12 12 ASP CA C 13 54.431 0.2 . 1 . . . . 12 ASP CA . 18697 1 109 . 1 1 12 12 ASP CB C 13 41.375 0.2 . 1 . . . . 12 ASP CB . 18697 1 110 . 1 1 12 12 ASP N N 15 125.117 0.2 . 1 . . . . 12 ASP N . 18697 1 111 . 1 1 13 13 GLY H H 1 8.469 0.02 . 1 . . . . 13 GLY H . 18697 1 112 . 1 1 13 13 GLY HA2 H 1 4.008 0.02 . 2 . . . . 13 GLY HA2 . 18697 1 113 . 1 1 13 13 GLY C C 13 174.459 0.2 . 1 . . . . 13 GLY C . 18697 1 114 . 1 1 13 13 GLY CA C 13 45.571 0.2 . 1 . . . . 13 GLY CA . 18697 1 115 . 1 1 13 13 GLY N N 15 110.835 0.2 . 1 . . . . 13 GLY N . 18697 1 116 . 1 1 14 14 SER H H 1 8.257 0.02 . 1 . . . . 14 SER H . 18697 1 117 . 1 1 14 14 SER HA H 1 4.444 0.02 . 1 . . . . 14 SER HA . 18697 1 118 . 1 1 14 14 SER HB2 H 1 3.875 0.02 . 2 . . . . 14 SER HB2 . 18697 1 119 . 1 1 14 14 SER C C 13 174.304 0.2 . 1 . . . . 14 SER C . 18697 1 120 . 1 1 14 14 SER CA C 13 58.592 0.2 . 1 . . . . 14 SER CA . 18697 1 121 . 1 1 14 14 SER CB C 13 63.963 0.2 . 1 . . . . 14 SER CB . 18697 1 122 . 1 1 14 14 SER N N 15 116.409 0.2 . 1 . . . . 14 SER N . 18697 1 123 . 1 1 15 15 GLU H H 1 8.422 0.02 . 1 . . . . 15 GLU H . 18697 1 124 . 1 1 15 15 GLU HA H 1 4.586 0.02 . 1 . . . . 15 GLU HA . 18697 1 125 . 1 1 15 15 GLU HB2 H 1 2.046 0.02 . 2 . . . . 15 GLU HB2 . 18697 1 126 . 1 1 15 15 GLU HG2 H 1 2.299 0.02 . 2 . . . . 15 GLU HG2 . 18697 1 127 . 1 1 15 15 GLU HG3 H 1 1.923 0.02 . 2 . . . . 15 GLU HG3 . 18697 1 128 . 1 1 15 15 GLU CA C 13 54.691 0.2 . 1 . . . . 15 GLU CA . 18697 1 129 . 1 1 15 15 GLU CB C 13 29.657 0.2 . 1 . . . . 15 GLU CB . 18697 1 130 . 1 1 15 15 GLU N N 15 124.448 0.2 . 1 . . . . 15 GLU N . 18697 1 131 . 1 1 16 16 PRO HA H 1 4.405 0.02 . 1 . . . . 16 PRO HA . 18697 1 132 . 1 1 16 16 PRO HB2 H 1 2.289 0.02 . 2 . . . . 16 PRO HB2 . 18697 1 133 . 1 1 16 16 PRO HB3 H 1 1.873 0.02 . 2 . . . . 16 PRO HB3 . 18697 1 134 . 1 1 16 16 PRO HG2 H 1 2.023 0.02 . 2 . . . . 16 PRO HG2 . 18697 1 135 . 1 1 16 16 PRO C C 13 176.813 0.2 . 1 . . . . 16 PRO C . 18697 1 136 . 1 1 16 16 PRO CA C 13 63.326 0.2 . 1 . . . . 16 PRO CA . 18697 1 137 . 1 1 16 16 PRO CB C 13 32.157 0.2 . 1 . . . . 16 PRO CB . 18697 1 138 . 1 1 16 16 PRO CG C 13 27.501 0.2 . 1 . . . . 16 PRO CG . 18697 1 139 . 1 1 16 16 PRO CD C 13 50.792 0.2 . 1 . . . . 16 PRO CD . 18697 1 140 . 1 1 17 17 LYS H H 1 8.454 0.02 . 1 . . . . 17 LYS H . 18697 1 141 . 1 1 17 17 LYS HA H 1 4.328 0.02 . 1 . . . . 17 LYS HA . 18697 1 142 . 1 1 17 17 LYS HB2 H 1 1.815 0.02 . 2 . . . . 17 LYS HB2 . 18697 1 143 . 1 1 17 17 LYS HB3 H 1 1.754 0.02 . 2 . . . . 17 LYS HB3 . 18697 1 144 . 1 1 17 17 LYS HG2 H 1 1.44 0.02 . 2 . . . . 17 LYS HG2 . 18697 1 145 . 1 1 17 17 LYS HE2 H 1 3.017 0.02 . 2 . . . . 17 LYS HE2 . 18697 1 146 . 1 1 17 17 LYS C C 13 176.531 0.2 . 1 . . . . 17 LYS C . 18697 1 147 . 1 1 17 17 LYS CA C 13 56.108 0.2 . 1 . . . . 17 LYS CA . 18697 1 148 . 1 1 17 17 LYS CB C 13 32.957 0.2 . 1 . . . . 17 LYS CB . 18697 1 149 . 1 1 17 17 LYS CG C 13 24.754 0.2 . 1 . . . . 17 LYS CG . 18697 1 150 . 1 1 17 17 LYS CD C 13 29.148 0.2 . 1 . . . . 17 LYS CD . 18697 1 151 . 1 1 17 17 LYS CE C 13 42.276 0.2 . 1 . . . . 17 LYS CE . 18697 1 152 . 1 1 17 17 LYS N N 15 122.614 0.2 . 1 . . . . 17 LYS N . 18697 1 153 . 1 1 18 18 LEU H H 1 8.22 0.02 . 1 . . . . 18 LEU H . 18697 1 154 . 1 1 18 18 LEU HA H 1 4.46 0.02 . 1 . . . . 18 LEU HA . 18697 1 155 . 1 1 18 18 LEU HB2 H 1 1.648 0.02 . 2 . . . . 18 LEU HB2 . 18697 1 156 . 1 1 18 18 LEU HG H 1 1.517 0.02 . 1 . . . . 18 LEU HG . 18697 1 157 . 1 1 18 18 LEU C C 13 177.24 0.2 . 1 . . . . 18 LEU C . 18697 1 158 . 1 1 18 18 LEU CA C 13 54.724 0.2 . 1 . . . . 18 LEU CA . 18697 1 159 . 1 1 18 18 LEU CB C 13 43.045 0.2 . 1 . . . . 18 LEU CB . 18697 1 160 . 1 1 18 18 LEU CG C 13 26.918 0.2 . 1 . . . . 18 LEU CG . 18697 1 161 . 1 1 18 18 LEU N N 15 124.629 0.2 . 1 . . . . 18 LEU N . 18697 1 162 . 1 1 19 19 SER H H 1 8.597 0.02 . 1 . . . . 19 SER H . 18697 1 163 . 1 1 19 19 SER HA H 1 4.23 0.02 . 1 . . . . 19 SER HA . 18697 1 164 . 1 1 19 19 SER HB2 H 1 3.998 0.02 . 2 . . . . 19 SER HB2 . 18697 1 165 . 1 1 19 19 SER C C 13 174.815 0.2 . 1 . . . . 19 SER C . 18697 1 166 . 1 1 19 19 SER CA C 13 57.721 0.2 . 1 . . . . 19 SER CA . 18697 1 167 . 1 1 19 19 SER CB C 13 64.455 0.2 . 1 . . . . 19 SER CB . 18697 1 168 . 1 1 19 19 SER N N 15 118.855 0.2 . 1 . . . . 19 SER N . 18697 1 169 . 1 1 20 20 LYS H H 1 8.786 0.02 . 1 . . . . 20 LYS H . 18697 1 170 . 1 1 20 20 LYS HA H 1 4.121 0.02 . 1 . . . . 20 LYS HA . 18697 1 171 . 1 1 20 20 LYS HB2 H 1 1.879 0.02 . 2 . . . . 20 LYS HB2 . 18697 1 172 . 1 1 20 20 LYS HG2 H 1 1.595 0.02 . 2 . . . . 20 LYS HG2 . 18697 1 173 . 1 1 20 20 LYS HE2 H 1 3.039 0.02 . 2 . . . . 20 LYS HE2 . 18697 1 174 . 1 1 20 20 LYS C C 13 178.654 0.2 . 1 . . . . 20 LYS C . 18697 1 175 . 1 1 20 20 LYS CA C 13 59.02 0.2 . 1 . . . . 20 LYS CA . 18697 1 176 . 1 1 20 20 LYS CB C 13 32.313 0.2 . 1 . . . . 20 LYS CB . 18697 1 177 . 1 1 20 20 LYS CD C 13 28.809 0.2 . 1 . . . . 20 LYS CD . 18697 1 178 . 1 1 20 20 LYS N N 15 123.384 0.2 . 1 . . . . 20 LYS N . 18697 1 179 . 1 1 21 21 ASN H H 1 8.728 0.02 . 1 . . . . 21 ASN H . 18697 1 180 . 1 1 21 21 ASN HA H 1 4.537 0.02 . 1 . . . . 21 ASN HA . 18697 1 181 . 1 1 21 21 ASN HB2 H 1 2.815 0.02 . 2 . . . . 21 ASN HB2 . 18697 1 182 . 1 1 21 21 ASN HD21 H 1 7.682 0.02 . 1 . . . . 21 ASN HD21 . 18697 1 183 . 1 1 21 21 ASN HD22 H 1 7.187 0.02 . 1 . . . . 21 ASN HD22 . 18697 1 184 . 1 1 21 21 ASN C C 13 177.18 0.2 . 1 . . . . 21 ASN C . 18697 1 185 . 1 1 21 21 ASN CA C 13 55.294 0.2 . 1 . . . . 21 ASN CA . 18697 1 186 . 1 1 21 21 ASN CB C 13 38.498 0.2 . 1 . . . . 21 ASN CB . 18697 1 187 . 1 1 21 21 ASN N N 15 118.86 0.2 . 1 . . . . 21 ASN N . 18697 1 188 . 1 1 21 21 ASN ND2 N 15 113.525 0.2 . 1 . . . . 21 ASN ND2 . 18697 1 189 . 1 1 22 22 GLU H H 1 8.143 0.02 . 1 . . . . 22 GLU H . 18697 1 190 . 1 1 22 22 GLU HA H 1 4.181 0.02 . 1 . . . . 22 GLU HA . 18697 1 191 . 1 1 22 22 GLU HB2 H 1 2.044 0.02 . 2 . . . . 22 GLU HB2 . 18697 1 192 . 1 1 22 22 GLU HG2 H 1 2.347 0.02 . 2 . . . . 22 GLU HG2 . 18697 1 193 . 1 1 22 22 GLU HG3 H 1 2.268 0.02 . 2 . . . . 22 GLU HG3 . 18697 1 194 . 1 1 22 22 GLU C C 13 178.282 0.2 . 1 . . . . 22 GLU C . 18697 1 195 . 1 1 22 22 GLU CA C 13 58.505 0.2 . 1 . . . . 22 GLU CA . 18697 1 196 . 1 1 22 22 GLU CB C 13 29.825 0.2 . 1 . . . . 22 GLU CB . 18697 1 197 . 1 1 22 22 GLU CG C 13 36.215 0.2 . 1 . . . . 22 GLU CG . 18697 1 198 . 1 1 22 22 GLU N N 15 122.708 0.2 . 1 . . . . 22 GLU N . 18697 1 199 . 1 1 23 23 LEU H H 1 8.268 0.02 . 1 . . . . 23 LEU H . 18697 1 200 . 1 1 23 23 LEU HA H 1 3.882 0.02 . 1 . . . . 23 LEU HA . 18697 1 201 . 1 1 23 23 LEU HB2 H 1 1.74 0.02 . 2 . . . . 23 LEU HB2 . 18697 1 202 . 1 1 23 23 LEU HG H 1 1.654 0.02 . 1 . . . . 23 LEU HG . 18697 1 203 . 1 1 23 23 LEU C C 13 178.82 0.2 . 1 . . . . 23 LEU C . 18697 1 204 . 1 1 23 23 LEU CA C 13 57.63 0.2 . 1 . . . . 23 LEU CA . 18697 1 205 . 1 1 23 23 LEU CB C 13 41.77 0.2 . 1 . . . . 23 LEU CB . 18697 1 206 . 1 1 23 23 LEU CG C 13 27.557 0.2 . 1 . . . . 23 LEU CG . 18697 1 207 . 1 1 23 23 LEU CD1 C 13 24.56 0.2 . 2 . . . . 23 LEU CD1 . 18697 1 208 . 1 1 23 23 LEU N N 15 122.219 0.2 . 1 . . . . 23 LEU N . 18697 1 209 . 1 1 24 24 LYS H H 1 8.024 0.02 . 1 . . . . 24 LYS H . 18697 1 210 . 1 1 24 24 LYS HA H 1 4.073 0.02 . 1 . . . . 24 LYS HA . 18697 1 211 . 1 1 24 24 LYS HB2 H 1 1.899 0.02 . 2 . . . . 24 LYS HB2 . 18697 1 212 . 1 1 24 24 LYS C C 13 178.626 0.2 . 1 . . . . 24 LYS C . 18697 1 213 . 1 1 24 24 LYS CA C 13 58.993 0.2 . 1 . . . . 24 LYS CA . 18697 1 214 . 1 1 24 24 LYS CB C 13 32.624 0.2 . 1 . . . . 24 LYS CB . 18697 1 215 . 1 1 24 24 LYS CG C 13 25.109 0.2 . 1 . . . . 24 LYS CG . 18697 1 216 . 1 1 24 24 LYS N N 15 119.995 0.2 . 1 . . . . 24 LYS N . 18697 1 217 . 1 1 25 25 ARG H H 1 7.988 0.02 . 1 . . . . 25 ARG H . 18697 1 218 . 1 1 25 25 ARG HA H 1 4.085 0.02 . 1 . . . . 25 ARG HA . 18697 1 219 . 1 1 25 25 ARG HB2 H 1 1.87 0.02 . 2 . . . . 25 ARG HB2 . 18697 1 220 . 1 1 25 25 ARG HE H 1 7.367 0.02 . 1 . . . . 25 ARG HE . 18697 1 221 . 1 1 25 25 ARG C C 13 178.65 0.2 . 1 . . . . 25 ARG C . 18697 1 222 . 1 1 25 25 ARG CA C 13 58.864 0.2 . 1 . . . . 25 ARG CA . 18697 1 223 . 1 1 25 25 ARG CB C 13 30.594 0.2 . 1 . . . . 25 ARG CB . 18697 1 224 . 1 1 25 25 ARG CG C 13 27.784 0.2 . 1 . . . . 25 ARG CG . 18697 1 225 . 1 1 25 25 ARG CD C 13 43.633 0.2 . 1 . . . . 25 ARG CD . 18697 1 226 . 1 1 25 25 ARG N N 15 120.723 0.2 . 1 . . . . 25 ARG N . 18697 1 227 . 1 1 25 25 ARG NE N 15 84.756 0.2 . 1 . . . . 25 ARG NE . 18697 1 228 . 1 1 26 26 ARG H H 1 8.244 0.02 . 1 . . . . 26 ARG H . 18697 1 229 . 1 1 26 26 ARG HA H 1 4.193 0.02 . 1 . . . . 26 ARG HA . 18697 1 230 . 1 1 26 26 ARG HB2 H 1 2.069 0.02 . 2 . . . . 26 ARG HB2 . 18697 1 231 . 1 1 26 26 ARG HE H 1 7.695 0.02 . 1 . . . . 26 ARG HE . 18697 1 232 . 1 1 26 26 ARG C C 13 178.111 0.2 . 1 . . . . 26 ARG C . 18697 1 233 . 1 1 26 26 ARG CA C 13 58.468 0.2 . 1 . . . . 26 ARG CA . 18697 1 234 . 1 1 26 26 ARG CB C 13 30.217 0.2 . 1 . . . . 26 ARG CB . 18697 1 235 . 1 1 26 26 ARG CG C 13 27.559 0.2 . 1 . . . . 26 ARG CG . 18697 1 236 . 1 1 26 26 ARG CD C 13 43.703 0.2 . 1 . . . . 26 ARG CD . 18697 1 237 . 1 1 26 26 ARG N N 15 121.735 0.2 . 1 . . . . 26 ARG N . 18697 1 238 . 1 1 26 26 ARG NE N 15 85.569 0.2 . 1 . . . . 26 ARG NE . 18697 1 239 . 1 1 27 27 LEU H H 1 8.201 0.02 . 1 . . . . 27 LEU H . 18697 1 240 . 1 1 27 27 LEU HA H 1 4.199 0.02 . 1 . . . . 27 LEU HA . 18697 1 241 . 1 1 27 27 LEU HB2 H 1 1.77 0.02 . 2 . . . . 27 LEU HB2 . 18697 1 242 . 1 1 27 27 LEU HG H 1 1.6 0.02 . 1 . . . . 27 LEU HG . 18697 1 243 . 1 1 27 27 LEU HD11 H 1 0.858 0.02 . 2 . . . . 27 LEU HD1 . 18697 1 244 . 1 1 27 27 LEU HD12 H 1 0.858 0.02 . 2 . . . . 27 LEU HD1 . 18697 1 245 . 1 1 27 27 LEU HD13 H 1 0.858 0.02 . 2 . . . . 27 LEU HD1 . 18697 1 246 . 1 1 27 27 LEU C C 13 179.184 0.2 . 1 . . . . 27 LEU C . 18697 1 247 . 1 1 27 27 LEU CA C 13 57.055 0.2 . 1 . . . . 27 LEU CA . 18697 1 248 . 1 1 27 27 LEU CB C 13 41.984 0.2 . 1 . . . . 27 LEU CB . 18697 1 249 . 1 1 27 27 LEU N N 15 121.924 0.2 . 1 . . . . 27 LEU N . 18697 1 250 . 1 1 28 28 LYS H H 1 8.022 0.02 . 1 . . . . 28 LYS H . 18697 1 251 . 1 1 28 28 LYS HA H 1 4.115 0.02 . 1 . . . . 28 LYS HA . 18697 1 252 . 1 1 28 28 LYS HB2 H 1 1.883 0.02 . 2 . . . . 28 LYS HB2 . 18697 1 253 . 1 1 28 28 LYS HG2 H 1 1.572 0.02 . 2 . . . . 28 LYS HG2 . 18697 1 254 . 1 1 28 28 LYS HD2 H 1 1.728 0.02 . 2 . . . . 28 LYS HD2 . 18697 1 255 . 1 1 28 28 LYS C C 13 178.056 0.2 . 1 . . . . 28 LYS C . 18697 1 256 . 1 1 28 28 LYS CA C 13 58.458 0.2 . 1 . . . . 28 LYS CA . 18697 1 257 . 1 1 28 28 LYS CB C 13 32.648 0.2 . 1 . . . . 28 LYS CB . 18697 1 258 . 1 1 28 28 LYS CG C 13 25.211 0.2 . 1 . . . . 28 LYS CG . 18697 1 259 . 1 1 28 28 LYS CE C 13 41.396 0.2 . 1 . . . . 28 LYS CE . 18697 1 260 . 1 1 28 28 LYS N N 15 120.967 0.2 . 1 . . . . 28 LYS N . 18697 1 261 . 1 1 29 29 ALA H H 1 7.993 0.02 . 1 . . . . 29 ALA H . 18697 1 262 . 1 1 29 29 ALA HA H 1 4.218 0.02 . 1 . . . . 29 ALA HA . 18697 1 263 . 1 1 29 29 ALA HB1 H 1 1.486 0.02 . 1 . . . . 29 ALA HB . 18697 1 264 . 1 1 29 29 ALA HB2 H 1 1.486 0.02 . 1 . . . . 29 ALA HB . 18697 1 265 . 1 1 29 29 ALA HB3 H 1 1.486 0.02 . 1 . . . . 29 ALA HB . 18697 1 266 . 1 1 29 29 ALA C C 13 179.454 0.2 . 1 . . . . 29 ALA C . 18697 1 267 . 1 1 29 29 ALA CA C 13 54.008 0.2 . 1 . . . . 29 ALA CA . 18697 1 268 . 1 1 29 29 ALA CB C 13 18.66 0.2 . 1 . . . . 29 ALA CB . 18697 1 269 . 1 1 29 29 ALA N N 15 123.619 0.2 . 1 . . . . 29 ALA N . 18697 1 270 . 1 1 30 30 GLU H H 1 8.215 0.02 . 1 . . . . 30 GLU H . 18697 1 271 . 1 1 30 30 GLU HA H 1 4.136 0.02 . 1 . . . . 30 GLU HA . 18697 1 272 . 1 1 30 30 GLU HB2 H 1 2.075 0.02 . 2 . . . . 30 GLU HB2 . 18697 1 273 . 1 1 30 30 GLU C C 13 178.223 0.2 . 1 . . . . 30 GLU C . 18697 1 274 . 1 1 30 30 GLU CA C 13 58.088 0.2 . 1 . . . . 30 GLU CA . 18697 1 275 . 1 1 30 30 GLU CB C 13 30.115 0.2 . 1 . . . . 30 GLU CB . 18697 1 276 . 1 1 30 30 GLU CG C 13 36.481 0.2 . 1 . . . . 30 GLU CG . 18697 1 277 . 1 1 30 30 GLU N N 15 119.828 0.2 . 1 . . . . 30 GLU N . 18697 1 278 . 1 1 31 31 LYS H H 1 8.105 0.02 . 1 . . . . 31 LYS H . 18697 1 279 . 1 1 31 31 LYS HA H 1 4.222 0.02 . 1 . . . . 31 LYS HA . 18697 1 280 . 1 1 31 31 LYS HB2 H 1 1.889 0.02 . 2 . . . . 31 LYS HB2 . 18697 1 281 . 1 1 31 31 LYS HG2 H 1 1.539 0.02 . 2 . . . . 31 LYS HG2 . 18697 1 282 . 1 1 31 31 LYS C C 13 177.718 0.2 . 1 . . . . 31 LYS C . 18697 1 283 . 1 1 31 31 LYS CA C 13 57.93 0.2 . 1 . . . . 31 LYS CA . 18697 1 284 . 1 1 31 31 LYS CB C 13 32.672 0.2 . 1 . . . . 31 LYS CB . 18697 1 285 . 1 1 31 31 LYS CG C 13 24.791 0.2 . 1 . . . . 31 LYS CG . 18697 1 286 . 1 1 31 31 LYS N N 15 122.204 0.2 . 1 . . . . 31 LYS N . 18697 1 287 . 1 1 32 32 LYS H H 1 8.046 0.02 . 1 . . . . 32 LYS H . 18697 1 288 . 1 1 32 32 LYS HA H 1 4.252 0.02 . 1 . . . . 32 LYS HA . 18697 1 289 . 1 1 32 32 LYS HB2 H 1 1.884 0.02 . 2 . . . . 32 LYS HB2 . 18697 1 290 . 1 1 32 32 LYS HG2 H 1 1.551 0.02 . 2 . . . . 32 LYS HG2 . 18697 1 291 . 1 1 32 32 LYS C C 13 178.211 0.2 . 1 . . . . 32 LYS C . 18697 1 292 . 1 1 32 32 LYS CA C 13 57.788 0.2 . 1 . . . . 32 LYS CA . 18697 1 293 . 1 1 32 32 LYS CB C 13 32.645 0.2 . 1 . . . . 32 LYS CB . 18697 1 294 . 1 1 32 32 LYS CG C 13 24.924 0.2 . 1 . . . . 32 LYS CG . 18697 1 295 . 1 1 32 32 LYS N N 15 121.566 0.2 . 1 . . . . 32 LYS N . 18697 1 296 . 1 1 33 33 VAL H H 1 7.955 0.02 . 1 . . . . 33 VAL H . 18697 1 297 . 1 1 33 33 VAL HA H 1 3.897 0.02 . 1 . . . . 33 VAL HA . 18697 1 298 . 1 1 33 33 VAL HG11 H 1 0.951 0.02 . 2 . . . . 33 VAL HG1 . 18697 1 299 . 1 1 33 33 VAL HG12 H 1 0.951 0.02 . 2 . . . . 33 VAL HG1 . 18697 1 300 . 1 1 33 33 VAL HG13 H 1 0.951 0.02 . 2 . . . . 33 VAL HG1 . 18697 1 301 . 1 1 33 33 VAL C C 13 177.081 0.2 . 1 . . . . 33 VAL C . 18697 1 302 . 1 1 33 33 VAL CA C 13 64.441 0.2 . 1 . . . . 33 VAL CA . 18697 1 303 . 1 1 33 33 VAL CB C 13 32.373 0.2 . 1 . . . . 33 VAL CB . 18697 1 304 . 1 1 33 33 VAL CG1 C 13 21.476 0.2 . 2 . . . . 33 VAL CG1 . 18697 1 305 . 1 1 33 33 VAL N N 15 121.499 0.2 . 1 . . . . 33 VAL N . 18697 1 306 . 1 1 34 34 ALA H H 1 8.15 0.02 . 1 . . . . 34 ALA H . 18697 1 307 . 1 1 34 34 ALA HA H 1 4.254 0.02 . 1 . . . . 34 ALA HA . 18697 1 308 . 1 1 34 34 ALA HB1 H 1 1.471 0.02 . 1 . . . . 34 ALA HB . 18697 1 309 . 1 1 34 34 ALA HB2 H 1 1.471 0.02 . 1 . . . . 34 ALA HB . 18697 1 310 . 1 1 34 34 ALA HB3 H 1 1.471 0.02 . 1 . . . . 34 ALA HB . 18697 1 311 . 1 1 34 34 ALA C C 13 179.541 0.2 . 1 . . . . 34 ALA C . 18697 1 312 . 1 1 34 34 ALA CA C 13 53.912 0.2 . 1 . . . . 34 ALA CA . 18697 1 313 . 1 1 34 34 ALA CB C 13 18.682 0.2 . 1 . . . . 34 ALA CB . 18697 1 314 . 1 1 34 34 ALA N N 15 125.775 0.2 . 1 . . . . 34 ALA N . 18697 1 315 . 1 1 35 35 GLU H H 1 8.329 0.02 . 1 . . . . 35 GLU H . 18697 1 316 . 1 1 35 35 GLU HA H 1 4.181 0.02 . 1 . . . . 35 GLU HA . 18697 1 317 . 1 1 35 35 GLU HB2 H 1 2.08 0.02 . 2 . . . . 35 GLU HB2 . 18697 1 318 . 1 1 35 35 GLU HG2 H 1 2.405 0.02 . 2 . . . . 35 GLU HG2 . 18697 1 319 . 1 1 35 35 GLU HG3 H 1 2.267 0.02 . 2 . . . . 35 GLU HG3 . 18697 1 320 . 1 1 35 35 GLU C C 13 177.913 0.2 . 1 . . . . 35 GLU C . 18697 1 321 . 1 1 35 35 GLU CA C 13 57.989 0.2 . 1 . . . . 35 GLU CA . 18697 1 322 . 1 1 35 35 GLU CB C 13 29.993 0.2 . 1 . . . . 35 GLU CB . 18697 1 323 . 1 1 35 35 GLU CG C 13 36.374 0.2 . 1 . . . . 35 GLU CG . 18697 1 324 . 1 1 35 35 GLU N N 15 120.546 0.2 . 1 . . . . 35 GLU N . 18697 1 325 . 1 1 36 36 LYS H H 1 8.118 0.02 . 1 . . . . 36 LYS H . 18697 1 326 . 1 1 36 36 LYS HA H 1 4.294 0.02 . 1 . . . . 36 LYS HA . 18697 1 327 . 1 1 36 36 LYS HB2 H 1 1.912 0.02 . 2 . . . . 36 LYS HB2 . 18697 1 328 . 1 1 36 36 LYS HG2 H 1 1.544 0.02 . 2 . . . . 36 LYS HG2 . 18697 1 329 . 1 1 36 36 LYS HG3 H 1 1.426 0.02 . 2 . . . . 36 LYS HG3 . 18697 1 330 . 1 1 36 36 LYS HD2 H 1 1.715 0.02 . 2 . . . . 36 LYS HD2 . 18697 1 331 . 1 1 36 36 LYS HE2 H 1 3.007 0.02 . 2 . . . . 36 LYS HE2 . 18697 1 332 . 1 1 36 36 LYS C C 13 178.201 0.2 . 1 . . . . 36 LYS C . 18697 1 333 . 1 1 36 36 LYS CA C 13 58.171 0.2 . 1 . . . . 36 LYS CA . 18697 1 334 . 1 1 36 36 LYS CB C 13 32.734 0.2 . 1 . . . . 36 LYS CB . 18697 1 335 . 1 1 36 36 LYS CG C 13 24.964 0.2 . 1 . . . . 36 LYS CG . 18697 1 336 . 1 1 36 36 LYS CD C 13 29.378 0.2 . 1 . . . . 36 LYS CD . 18697 1 337 . 1 1 36 36 LYS N N 15 121.888 0.2 . 1 . . . . 36 LYS N . 18697 1 338 . 1 1 37 37 GLU H H 1 8.324 0.02 . 1 . . . . 37 GLU H . 18697 1 339 . 1 1 37 37 GLU HA H 1 4.171 0.02 . 1 . . . . 37 GLU HA . 18697 1 340 . 1 1 37 37 GLU HB2 H 1 2.06 0.02 . 2 . . . . 37 GLU HB2 . 18697 1 341 . 1 1 37 37 GLU HG2 H 1 2.38 0.02 . 2 . . . . 37 GLU HG2 . 18697 1 342 . 1 1 37 37 GLU HG3 H 1 2.285 0.02 . 2 . . . . 37 GLU HG3 . 18697 1 343 . 1 1 37 37 GLU C C 13 177.748 0.2 . 1 . . . . 37 GLU C . 18697 1 344 . 1 1 37 37 GLU CA C 13 57.908 0.2 . 1 . . . . 37 GLU CA . 18697 1 345 . 1 1 37 37 GLU CB C 13 29.944 0.2 . 1 . . . . 37 GLU CB . 18697 1 346 . 1 1 37 37 GLU CG C 13 36.394 0.2 . 1 . . . . 37 GLU CG . 18697 1 347 . 1 1 37 37 GLU N N 15 121.205 0.2 . 1 . . . . 37 GLU N . 18697 1 348 . 1 1 38 38 ALA H H 1 8.179 0.02 . 1 . . . . 38 ALA H . 18697 1 349 . 1 1 38 38 ALA HA H 1 4.239 0.02 . 1 . . . . 38 ALA HA . 18697 1 350 . 1 1 38 38 ALA HB1 H 1 1.467 0.02 . 1 . . . . 38 ALA HB . 18697 1 351 . 1 1 38 38 ALA HB2 H 1 1.467 0.02 . 1 . . . . 38 ALA HB . 18697 1 352 . 1 1 38 38 ALA HB3 H 1 1.467 0.02 . 1 . . . . 38 ALA HB . 18697 1 353 . 1 1 38 38 ALA C C 13 179.257 0.2 . 1 . . . . 38 ALA C . 18697 1 354 . 1 1 38 38 ALA CA C 13 53.902 0.2 . 1 . . . . 38 ALA CA . 18697 1 355 . 1 1 38 38 ALA CB C 13 18.685 0.2 . 1 . . . . 38 ALA CB . 18697 1 356 . 1 1 38 38 ALA N N 15 124.452 0.2 . 1 . . . . 38 ALA N . 18697 1 357 . 1 1 39 39 LYS H H 1 8.117 0.02 . 1 . . . . 39 LYS H . 18697 1 358 . 1 1 39 39 LYS HA H 1 4.239 0.02 . 1 . . . . 39 LYS HA . 18697 1 359 . 1 1 39 39 LYS HB2 H 1 1.873 0.02 . 2 . . . . 39 LYS HB2 . 18697 1 360 . 1 1 39 39 LYS HG2 H 1 1.522 0.02 . 2 . . . . 39 LYS HG2 . 18697 1 361 . 1 1 39 39 LYS C C 13 177.852 0.2 . 1 . . . . 39 LYS C . 18697 1 362 . 1 1 39 39 LYS CA C 13 57.404 0.2 . 1 . . . . 39 LYS CA . 18697 1 363 . 1 1 39 39 LYS CB C 13 32.653 0.2 . 1 . . . . 39 LYS CB . 18697 1 364 . 1 1 39 39 LYS CG C 13 24.992 0.2 . 1 . . . . 39 LYS CG . 18697 1 365 . 1 1 39 39 LYS N N 15 120.301 0.2 . 1 . . . . 39 LYS N . 18697 1 366 . 1 1 40 40 GLN H H 1 8.191 0.02 . 1 . . . . 40 GLN H . 18697 1 367 . 1 1 40 40 GLN HA H 1 4.228 0.02 . 1 . . . . 40 GLN HA . 18697 1 368 . 1 1 40 40 GLN HB2 H 1 2.13 0.02 . 2 . . . . 40 GLN HB2 . 18697 1 369 . 1 1 40 40 GLN HG2 H 1 2.447 0.02 . 2 . . . . 40 GLN HG2 . 18697 1 370 . 1 1 40 40 GLN C C 13 177.355 0.2 . 1 . . . . 40 GLN C . 18697 1 371 . 1 1 40 40 GLN CA C 13 56.952 0.2 . 1 . . . . 40 GLN CA . 18697 1 372 . 1 1 40 40 GLN CB C 13 29.011 0.2 . 1 . . . . 40 GLN CB . 18697 1 373 . 1 1 40 40 GLN CG C 13 33.955 0.2 . 1 . . . . 40 GLN CG . 18697 1 374 . 1 1 40 40 GLN N N 15 120.777 0.2 . 1 . . . . 40 GLN N . 18697 1 375 . 1 1 41 41 LYS H H 1 8.192 0.02 . 1 . . . . 41 LYS H . 18697 1 376 . 1 1 41 41 LYS HA H 1 4.207 0.02 . 1 . . . . 41 LYS HA . 18697 1 377 . 1 1 41 41 LYS HB2 H 1 1.871 0.02 . 2 . . . . 41 LYS HB2 . 18697 1 378 . 1 1 41 41 LYS HG2 H 1 1.534 0.02 . 2 . . . . 41 LYS HG2 . 18697 1 379 . 1 1 41 41 LYS HE2 H 1 2.989 0.02 . 2 . . . . 41 LYS HE2 . 18697 1 380 . 1 1 41 41 LYS C C 13 177.525 0.2 . 1 . . . . 41 LYS C . 18697 1 381 . 1 1 41 41 LYS CA C 13 57.799 0.2 . 1 . . . . 41 LYS CA . 18697 1 382 . 1 1 41 41 LYS CB C 13 32.842 0.2 . 1 . . . . 41 LYS CB . 18697 1 383 . 1 1 41 41 LYS CG C 13 24.972 0.2 . 1 . . . . 41 LYS CG . 18697 1 384 . 1 1 41 41 LYS CE C 13 42.261 0.2 . 1 . . . . 41 LYS CE . 18697 1 385 . 1 1 41 41 LYS N N 15 122.425 0.2 . 1 . . . . 41 LYS N . 18697 1 386 . 1 1 42 42 GLU H H 1 8.2 0.02 . 1 . . . . 42 GLU H . 18697 1 387 . 1 1 42 42 GLU HA H 1 4.212 0.02 . 1 . . . . 42 GLU HA . 18697 1 388 . 1 1 42 42 GLU HB2 H 1 2.08 0.02 . 2 . . . . 42 GLU HB2 . 18697 1 389 . 1 1 42 42 GLU HG2 H 1 2.271 0.02 . 2 . . . . 42 GLU HG2 . 18697 1 390 . 1 1 42 42 GLU C C 13 177.588 0.2 . 1 . . . . 42 GLU C . 18697 1 391 . 1 1 42 42 GLU CA C 13 57.693 0.2 . 1 . . . . 42 GLU CA . 18697 1 392 . 1 1 42 42 GLU CB C 13 30.037 0.2 . 1 . . . . 42 GLU CB . 18697 1 393 . 1 1 42 42 GLU CG C 13 36.25 0.2 . 1 . . . . 42 GLU CG . 18697 1 394 . 1 1 42 42 GLU N N 15 121.486 0.2 . 1 . . . . 42 GLU N . 18697 1 395 . 1 1 43 43 LEU H H 1 8.153 0.02 . 1 . . . . 43 LEU H . 18697 1 396 . 1 1 43 43 LEU HA H 1 4.308 0.02 . 1 . . . . 43 LEU HA . 18697 1 397 . 1 1 43 43 LEU HB2 H 1 1.715 0.02 . 2 . . . . 43 LEU HB2 . 18697 1 398 . 1 1 43 43 LEU HB3 H 1 1.614 0.02 . 2 . . . . 43 LEU HB3 . 18697 1 399 . 1 1 43 43 LEU HD11 H 1 0.901 0.02 . 2 . . . . 43 LEU HD1 . 18697 1 400 . 1 1 43 43 LEU HD12 H 1 0.901 0.02 . 2 . . . . 43 LEU HD1 . 18697 1 401 . 1 1 43 43 LEU HD13 H 1 0.901 0.02 . 2 . . . . 43 LEU HD1 . 18697 1 402 . 1 1 43 43 LEU C C 13 178.351 0.2 . 1 . . . . 43 LEU C . 18697 1 403 . 1 1 43 43 LEU CA C 13 56.202 0.2 . 1 . . . . 43 LEU CA . 18697 1 404 . 1 1 43 43 LEU CB C 13 42.254 0.2 . 1 . . . . 43 LEU CB . 18697 1 405 . 1 1 43 43 LEU CG C 13 26.962 0.2 . 1 . . . . 43 LEU CG . 18697 1 406 . 1 1 43 43 LEU CD1 C 13 25.014 0.2 . 1 . . . . 43 LEU CD1 . 18697 1 407 . 1 1 43 43 LEU CD2 C 13 23.519 0.2 . 1 . . . . 43 LEU CD2 . 18697 1 408 . 1 1 43 43 LEU N N 15 122.213 0.2 . 1 . . . . 43 LEU N . 18697 1 409 . 1 1 44 44 SER H H 1 8.247 0.02 . 1 . . . . 44 SER H . 18697 1 410 . 1 1 44 44 SER HA H 1 4.397 0.02 . 1 . . . . 44 SER HA . 18697 1 411 . 1 1 44 44 SER HB2 H 1 3.957 0.02 . 2 . . . . 44 SER HB2 . 18697 1 412 . 1 1 44 44 SER C C 13 175.513 0.2 . 1 . . . . 44 SER C . 18697 1 413 . 1 1 44 44 SER CA C 13 59.361 0.2 . 1 . . . . 44 SER CA . 18697 1 414 . 1 1 44 44 SER CB C 13 63.685 0.2 . 1 . . . . 44 SER CB . 18697 1 415 . 1 1 44 44 SER N N 15 116.578 0.2 . 1 . . . . 44 SER N . 18697 1 416 . 1 1 45 45 GLU H H 1 8.311 0.02 . 1 . . . . 45 GLU H . 18697 1 417 . 1 1 45 45 GLU HA H 1 4.234 0.02 . 1 . . . . 45 GLU HA . 18697 1 418 . 1 1 45 45 GLU HB2 H 1 2.071 0.02 . 2 . . . . 45 GLU HB2 . 18697 1 419 . 1 1 45 45 GLU HG2 H 1 2.378 0.02 . 2 . . . . 45 GLU HG2 . 18697 1 420 . 1 1 45 45 GLU HG3 H 1 2.273 0.02 . 2 . . . . 45 GLU HG3 . 18697 1 421 . 1 1 45 45 GLU C C 13 177.648 0.2 . 1 . . . . 45 GLU C . 18697 1 422 . 1 1 45 45 GLU CA C 13 57.729 0.2 . 1 . . . . 45 GLU CA . 18697 1 423 . 1 1 45 45 GLU CB C 13 29.912 0.2 . 1 . . . . 45 GLU CB . 18697 1 424 . 1 1 45 45 GLU CG C 13 36.301 0.2 . 1 . . . . 45 GLU CG . 18697 1 425 . 1 1 45 45 GLU N N 15 122.744 0.2 . 1 . . . . 45 GLU N . 18697 1 426 . 1 1 46 46 LYS H H 1 8.133 0.02 . 1 . . . . 46 LYS H . 18697 1 427 . 1 1 46 46 LYS HA H 1 4.246 0.02 . 1 . . . . 46 LYS HA . 18697 1 428 . 1 1 46 46 LYS HB2 H 1 1.856 0.02 . 2 . . . . 46 LYS HB2 . 18697 1 429 . 1 1 46 46 LYS HG2 H 1 1.507 0.02 . 2 . . . . 46 LYS HG2 . 18697 1 430 . 1 1 46 46 LYS HD2 H 1 1.724 0.02 . 2 . . . . 46 LYS HD2 . 18697 1 431 . 1 1 46 46 LYS C C 13 177.376 0.2 . 1 . . . . 46 LYS C . 18697 1 432 . 1 1 46 46 LYS CA C 13 57.378 0.2 . 1 . . . . 46 LYS CA . 18697 1 433 . 1 1 46 46 LYS CB C 13 32.82 0.2 . 1 . . . . 46 LYS CB . 18697 1 434 . 1 1 46 46 LYS CG C 13 25.014 0.2 . 1 . . . . 46 LYS CG . 18697 1 435 . 1 1 46 46 LYS N N 15 121.624 0.2 . 1 . . . . 46 LYS N . 18697 1 436 . 1 1 47 47 GLN H H 1 8.205 0.02 . 1 . . . . 47 GLN H . 18697 1 437 . 1 1 47 47 GLN HA H 1 4.277 0.02 . 1 . . . . 47 GLN HA . 18697 1 438 . 1 1 47 47 GLN HB2 H 1 2.109 0.02 . 2 . . . . 47 GLN HB2 . 18697 1 439 . 1 1 47 47 GLN HG2 H 1 2.403 0.02 . 2 . . . . 47 GLN HG2 . 18697 1 440 . 1 1 47 47 GLN C C 13 176.846 0.2 . 1 . . . . 47 GLN C . 18697 1 441 . 1 1 47 47 GLN CA C 13 56.585 0.2 . 1 . . . . 47 GLN CA . 18697 1 442 . 1 1 47 47 GLN CB C 13 29.157 0.2 . 1 . . . . 47 GLN CB . 18697 1 443 . 1 1 47 47 GLN CG C 13 33.978 0.2 . 1 . . . . 47 GLN CG . 18697 1 444 . 1 1 47 47 GLN N N 15 120.94 0.2 . 1 . . . . 47 GLN N . 18697 1 445 . 1 1 48 48 LEU H H 1 8.217 0.02 . 1 . . . . 48 LEU H . 18697 1 446 . 1 1 48 48 LEU HA H 1 4.334 0.02 . 1 . . . . 48 LEU HA . 18697 1 447 . 1 1 48 48 LEU HB2 H 1 1.708 0.02 . 2 . . . . 48 LEU HB2 . 18697 1 448 . 1 1 48 48 LEU HB3 H 1 1.624 0.02 . 2 . . . . 48 LEU HB3 . 18697 1 449 . 1 1 48 48 LEU HD11 H 1 0.895 0.02 . 2 . . . . 48 LEU HD1 . 18697 1 450 . 1 1 48 48 LEU HD12 H 1 0.895 0.02 . 2 . . . . 48 LEU HD1 . 18697 1 451 . 1 1 48 48 LEU HD13 H 1 0.895 0.02 . 2 . . . . 48 LEU HD1 . 18697 1 452 . 1 1 48 48 LEU C C 13 177.77 0.2 . 1 . . . . 48 LEU C . 18697 1 453 . 1 1 48 48 LEU CA C 13 55.927 0.2 . 1 . . . . 48 LEU CA . 18697 1 454 . 1 1 48 48 LEU CB C 13 42.312 0.2 . 1 . . . . 48 LEU CB . 18697 1 455 . 1 1 48 48 LEU CG C 13 26.923 0.2 . 1 . . . . 48 LEU CG . 18697 1 456 . 1 1 48 48 LEU CD1 C 13 25.011 0.2 . 2 . . . . 48 LEU CD1 . 18697 1 457 . 1 1 48 48 LEU CD2 C 13 23.499 0.2 . 2 . . . . 48 LEU CD2 . 18697 1 458 . 1 1 48 48 LEU N N 15 123.202 0.2 . 1 . . . . 48 LEU N . 18697 1 459 . 1 1 49 49 SER H H 1 8.205 0.02 . 1 . . . . 49 SER H . 18697 1 460 . 1 1 49 49 SER HA H 1 4.425 0.02 . 1 . . . . 49 SER HA . 18697 1 461 . 1 1 49 49 SER HB2 H 1 3.911 0.02 . 2 . . . . 49 SER HB2 . 18697 1 462 . 1 1 49 49 SER C C 13 174.96 0.2 . 1 . . . . 49 SER C . 18697 1 463 . 1 1 49 49 SER CA C 13 58.866 0.2 . 1 . . . . 49 SER CA . 18697 1 464 . 1 1 49 49 SER CB C 13 63.686 0.2 . 1 . . . . 49 SER CB . 18697 1 465 . 1 1 49 49 SER N N 15 116.525 0.2 . 1 . . . . 49 SER N . 18697 1 466 . 1 1 50 50 GLN H H 1 8.273 0.02 . 1 . . . . 50 GLN H . 18697 1 467 . 1 1 50 50 GLN HA H 1 4.348 0.02 . 1 . . . . 50 GLN HA . 18697 1 468 . 1 1 50 50 GLN HB2 H 1 2.158 0.02 . 2 . . . . 50 GLN HB2 . 18697 1 469 . 1 1 50 50 GLN HB3 H 1 2.019 0.02 . 2 . . . . 50 GLN HB3 . 18697 1 470 . 1 1 50 50 GLN HG2 H 1 2.377 0.02 . 2 . . . . 50 GLN HG2 . 18697 1 471 . 1 1 50 50 GLN C C 13 176.282 0.2 . 1 . . . . 50 GLN C . 18697 1 472 . 1 1 50 50 GLN CA C 13 56.28 0.2 . 1 . . . . 50 GLN CA . 18697 1 473 . 1 1 50 50 GLN CB C 13 29.38 0.2 . 1 . . . . 50 GLN CB . 18697 1 474 . 1 1 50 50 GLN CG C 13 33.942 0.2 . 1 . . . . 50 GLN CG . 18697 1 475 . 1 1 50 50 GLN N N 15 122.503 0.2 . 1 . . . . 50 GLN N . 18697 1 476 . 1 1 51 51 ALA H H 1 8.249 0.02 . 1 . . . . 51 ALA H . 18697 1 477 . 1 1 51 51 ALA HA H 1 4.355 0.02 . 1 . . . . 51 ALA HA . 18697 1 478 . 1 1 51 51 ALA HB1 H 1 1.436 0.02 . 1 . . . . 51 ALA HB . 18697 1 479 . 1 1 51 51 ALA HB2 H 1 1.436 0.02 . 1 . . . . 51 ALA HB . 18697 1 480 . 1 1 51 51 ALA HB3 H 1 1.436 0.02 . 1 . . . . 51 ALA HB . 18697 1 481 . 1 1 51 51 ALA C C 13 178.239 0.2 . 1 . . . . 51 ALA C . 18697 1 482 . 1 1 51 51 ALA CA C 13 53.162 0.2 . 1 . . . . 51 ALA CA . 18697 1 483 . 1 1 51 51 ALA CB C 13 19.128 0.2 . 1 . . . . 51 ALA CB . 18697 1 484 . 1 1 51 51 ALA N N 15 125.228 0.2 . 1 . . . . 51 ALA N . 18697 1 485 . 1 1 52 52 THR H H 1 8.06 0.02 . 1 . . . . 52 THR H . 18697 1 486 . 1 1 52 52 THR HA H 1 4.335 0.02 . 1 . . . . 52 THR HA . 18697 1 487 . 1 1 52 52 THR HB H 1 4.251 0.02 . 1 . . . . 52 THR HB . 18697 1 488 . 1 1 52 52 THR HG21 H 1 1.211 0.02 . 1 . . . . 52 THR HG2 . 18697 1 489 . 1 1 52 52 THR HG22 H 1 1.211 0.02 . 1 . . . . 52 THR HG2 . 18697 1 490 . 1 1 52 52 THR HG23 H 1 1.211 0.02 . 1 . . . . 52 THR HG2 . 18697 1 491 . 1 1 52 52 THR C C 13 174.803 0.2 . 1 . . . . 52 THR C . 18697 1 492 . 1 1 52 52 THR CA C 13 62.216 0.2 . 1 . . . . 52 THR CA . 18697 1 493 . 1 1 52 52 THR CB C 13 69.769 0.2 . 1 . . . . 52 THR CB . 18697 1 494 . 1 1 52 52 THR N N 15 113.847 0.2 . 1 . . . . 52 THR N . 18697 1 495 . 1 1 53 53 ALA H H 1 8.213 0.02 . 1 . . . . 53 ALA H . 18697 1 496 . 1 1 53 53 ALA CA C 13 52.93 0.2 . 1 . . . . 53 ALA CA . 18697 1 497 . 1 1 53 53 ALA CB C 13 19.256 0.2 . 1 . . . . 53 ALA CB . 18697 1 498 . 1 1 53 53 ALA N N 15 126.944 0.2 . 1 . . . . 53 ALA N . 18697 1 499 . 1 1 54 54 ALA H H 1 8.229 0.02 . 1 . . . . 54 ALA H . 18697 1 500 . 1 1 54 54 ALA HA H 1 4.285 0.02 . 1 . . . . 54 ALA HA . 18697 1 501 . 1 1 54 54 ALA HB1 H 1 1.408 0.02 . 1 . . . . 54 ALA HB . 18697 1 502 . 1 1 54 54 ALA HB2 H 1 1.408 0.02 . 1 . . . . 54 ALA HB . 18697 1 503 . 1 1 54 54 ALA HB3 H 1 1.408 0.02 . 1 . . . . 54 ALA HB . 18697 1 504 . 1 1 54 54 ALA C C 13 177.825 0.2 . 1 . . . . 54 ALA C . 18697 1 505 . 1 1 54 54 ALA CA C 13 52.844 0.2 . 1 . . . . 54 ALA CA . 18697 1 506 . 1 1 54 54 ALA CB C 13 19.08 0.2 . 1 . . . . 54 ALA CB . 18697 1 507 . 1 1 54 54 ALA N N 15 124.193 0.2 . 1 . . . . 54 ALA N . 18697 1 508 . 1 1 55 55 ALA H H 1 8.173 0.02 . 1 . . . . 55 ALA H . 18697 1 509 . 1 1 55 55 ALA HA H 1 4.356 0.02 . 1 . . . . 55 ALA HA . 18697 1 510 . 1 1 55 55 ALA HB1 H 1 1.43 0.02 . 1 . . . . 55 ALA HB . 18697 1 511 . 1 1 55 55 ALA HB2 H 1 1.43 0.02 . 1 . . . . 55 ALA HB . 18697 1 512 . 1 1 55 55 ALA HB3 H 1 1.43 0.02 . 1 . . . . 55 ALA HB . 18697 1 513 . 1 1 55 55 ALA C C 13 178.163 0.2 . 1 . . . . 55 ALA C . 18697 1 514 . 1 1 55 55 ALA CA C 13 52.732 0.2 . 1 . . . . 55 ALA CA . 18697 1 515 . 1 1 55 55 ALA CB C 13 19.236 0.2 . 1 . . . . 55 ALA CB . 18697 1 516 . 1 1 55 55 ALA N N 15 123.463 0.2 . 1 . . . . 55 ALA N . 18697 1 517 . 1 1 56 56 THR H H 1 8.038 0.02 . 1 . . . . 56 THR H . 18697 1 518 . 1 1 56 56 THR HA H 1 4.29 0.02 . 1 . . . . 56 THR HA . 18697 1 519 . 1 1 56 56 THR HB H 1 4.198 0.02 . 1 . . . . 56 THR HB . 18697 1 520 . 1 1 56 56 THR HG21 H 1 1.271 0.02 . 1 . . . . 56 THR HG2 . 18697 1 521 . 1 1 56 56 THR HG22 H 1 1.271 0.02 . 1 . . . . 56 THR HG2 . 18697 1 522 . 1 1 56 56 THR HG23 H 1 1.271 0.02 . 1 . . . . 56 THR HG2 . 18697 1 523 . 1 1 56 56 THR C C 13 174.333 0.2 . 1 . . . . 56 THR C . 18697 1 524 . 1 1 56 56 THR CA C 13 61.882 0.2 . 1 . . . . 56 THR CA . 18697 1 525 . 1 1 56 56 THR CB C 13 69.768 0.2 . 1 . . . . 56 THR CB . 18697 1 526 . 1 1 56 56 THR N N 15 113.129 0.2 . 1 . . . . 56 THR N . 18697 1 527 . 1 1 57 57 ASN H H 1 8.329 0.02 . 1 . . . . 57 ASN H . 18697 1 528 . 1 1 57 57 ASN HA H 1 4.711 0.02 . 1 . . . . 57 ASN HA . 18697 1 529 . 1 1 57 57 ASN HB2 H 1 2.793 0.02 . 2 . . . . 57 ASN HB2 . 18697 1 530 . 1 1 57 57 ASN HD21 H 1 7.595 0.02 . 1 . . . . 57 ASN HD21 . 18697 1 531 . 1 1 57 57 ASN HD22 H 1 6.908 0.02 . 1 . . . . 57 ASN HD22 . 18697 1 532 . 1 1 57 57 ASN C C 13 174.9 0.2 . 1 . . . . 57 ASN C . 18697 1 533 . 1 1 57 57 ASN CA C 13 53.281 0.2 . 1 . . . . 57 ASN CA . 18697 1 534 . 1 1 57 57 ASN CB C 13 38.919 0.2 . 1 . . . . 57 ASN CB . 18697 1 535 . 1 1 57 57 ASN N N 15 121.288 0.2 . 1 . . . . 57 ASN N . 18697 1 536 . 1 1 57 57 ASN ND2 N 15 113.509 0.2 . 1 . . . . 57 ASN ND2 . 18697 1 537 . 1 1 58 58 HIS H H 1 8.478 0.02 . 1 . . . . 58 HIS H . 18697 1 538 . 1 1 58 58 HIS HA H 1 3.991 0.02 . 1 . . . . 58 HIS HA . 18697 1 539 . 1 1 58 58 HIS HB2 H 1 3.312 0.02 . 2 . . . . 58 HIS HB2 . 18697 1 540 . 1 1 58 58 HIS HB3 H 1 3.171 0.02 . 2 . . . . 58 HIS HB3 . 18697 1 541 . 1 1 58 58 HIS C C 13 174.808 0.2 . 1 . . . . 58 HIS C . 18697 1 542 . 1 1 58 58 HIS CA C 13 55.601 0.2 . 1 . . . . 58 HIS CA . 18697 1 543 . 1 1 58 58 HIS CB C 13 29.412 0.2 . 1 . . . . 58 HIS CB . 18697 1 544 . 1 1 58 58 HIS N N 15 120.054 0.2 . 1 . . . . 58 HIS N . 18697 1 545 . 1 1 59 59 THR H H 1 8.32 0.02 . 1 . . . . 59 THR H . 18697 1 546 . 1 1 59 59 THR HA H 1 4.421 0.02 . 1 . . . . 59 THR HA . 18697 1 547 . 1 1 59 59 THR HB H 1 4.266 0.02 . 1 . . . . 59 THR HB . 18697 1 548 . 1 1 59 59 THR HG21 H 1 1.194 0.02 . 1 . . . . 59 THR HG2 . 18697 1 549 . 1 1 59 59 THR HG22 H 1 1.194 0.02 . 1 . . . . 59 THR HG2 . 18697 1 550 . 1 1 59 59 THR HG23 H 1 1.194 0.02 . 1 . . . . 59 THR HG2 . 18697 1 551 . 1 1 59 59 THR C C 13 174.735 0.2 . 1 . . . . 59 THR C . 18697 1 552 . 1 1 59 59 THR CA C 13 62.197 0.2 . 1 . . . . 59 THR CA . 18697 1 553 . 1 1 59 59 THR CB C 13 69.875 0.2 . 1 . . . . 59 THR CB . 18697 1 554 . 1 1 59 59 THR N N 15 116.322 0.2 . 1 . . . . 59 THR N . 18697 1 555 . 1 1 60 60 THR H H 1 8.18 0.02 . 1 . . . . 60 THR H . 18697 1 556 . 1 1 60 60 THR HA H 1 4.408 0.02 . 1 . . . . 60 THR HA . 18697 1 557 . 1 1 60 60 THR HB H 1 4.285 0.02 . 1 . . . . 60 THR HB . 18697 1 558 . 1 1 60 60 THR HG21 H 1 1.175 0.02 . 1 . . . . 60 THR HG2 . 18697 1 559 . 1 1 60 60 THR HG22 H 1 1.175 0.02 . 1 . . . . 60 THR HG2 . 18697 1 560 . 1 1 60 60 THR HG23 H 1 1.175 0.02 . 1 . . . . 60 THR HG2 . 18697 1 561 . 1 1 60 60 THR C C 13 174.373 0.2 . 1 . . . . 60 THR C . 18697 1 562 . 1 1 60 60 THR CA C 13 61.699 0.2 . 1 . . . . 60 THR CA . 18697 1 563 . 1 1 60 60 THR CB C 13 69.828 0.2 . 1 . . . . 60 THR CB . 18697 1 564 . 1 1 60 60 THR N N 15 115.569 0.2 . 1 . . . . 60 THR N . 18697 1 565 . 1 1 61 61 ASP H H 1 8.336 0.02 . 1 . . . . 61 ASP H . 18697 1 566 . 1 1 61 61 ASP HA H 1 4.635 0.02 . 1 . . . . 61 ASP HA . 18697 1 567 . 1 1 61 61 ASP HB2 H 1 2.739 0.02 . 2 . . . . 61 ASP HB2 . 18697 1 568 . 1 1 61 61 ASP HB3 H 1 2.658 0.02 . 2 . . . . 61 ASP HB3 . 18697 1 569 . 1 1 61 61 ASP C C 13 176.104 0.2 . 1 . . . . 61 ASP C . 18697 1 570 . 1 1 61 61 ASP CA C 13 54.529 0.2 . 1 . . . . 61 ASP CA . 18697 1 571 . 1 1 61 61 ASP CB C 13 41.328 0.2 . 1 . . . . 61 ASP CB . 18697 1 572 . 1 1 61 61 ASP N N 15 123.355 0.2 . 1 . . . . 61 ASP N . 18697 1 573 . 1 1 62 62 ASN H H 1 8.432 0.02 . 1 . . . . 62 ASN H . 18697 1 574 . 1 1 62 62 ASN HA H 1 4.699 0.02 . 1 . . . . 62 ASN HA . 18697 1 575 . 1 1 62 62 ASN HB2 H 1 2.823 0.02 . 2 . . . . 62 ASN HB2 . 18697 1 576 . 1 1 62 62 ASN HD21 H 1 7.568 0.02 . 1 . . . . 62 ASN HD21 . 18697 1 577 . 1 1 62 62 ASN HD22 H 1 6.88 0.02 . 1 . . . . 62 ASN HD22 . 18697 1 578 . 1 1 62 62 ASN C C 13 175.868 0.2 . 1 . . . . 62 ASN C . 18697 1 579 . 1 1 62 62 ASN CA C 13 53.473 0.2 . 1 . . . . 62 ASN CA . 18697 1 580 . 1 1 62 62 ASN CB C 13 38.914 0.2 . 1 . . . . 62 ASN CB . 18697 1 581 . 1 1 62 62 ASN N N 15 120.055 0.2 . 1 . . . . 62 ASN N . 18697 1 582 . 1 1 62 62 ASN ND2 N 15 113.202 0.2 . 1 . . . . 62 ASN ND2 . 18697 1 583 . 1 1 63 63 GLY H H 1 8.435 0.02 . 1 . . . . 63 GLY H . 18697 1 584 . 1 1 63 63 GLY HA2 H 1 3.992 0.02 . 2 . . . . 63 GLY HA2 . 18697 1 585 . 1 1 63 63 GLY HA3 H 1 3.885 0.02 . 2 . . . . 63 GLY HA3 . 18697 1 586 . 1 1 63 63 GLY C C 13 174.172 0.2 . 1 . . . . 63 GLY C . 18697 1 587 . 1 1 63 63 GLY CA C 13 45.558 0.2 . 1 . . . . 63 GLY CA . 18697 1 588 . 1 1 63 63 GLY N N 15 109.701 0.2 . 1 . . . . 63 GLY N . 18697 1 589 . 1 1 64 64 VAL H H 1 7.857 0.02 . 1 . . . . 64 VAL H . 18697 1 590 . 1 1 64 64 VAL HA H 1 4.102 0.02 . 1 . . . . 64 VAL HA . 18697 1 591 . 1 1 64 64 VAL HB H 1 2.049 0.02 . 1 . . . . 64 VAL HB . 18697 1 592 . 1 1 64 64 VAL HG11 H 1 0.895 0.02 . 2 . . . . 64 VAL HG1 . 18697 1 593 . 1 1 64 64 VAL HG12 H 1 0.895 0.02 . 2 . . . . 64 VAL HG1 . 18697 1 594 . 1 1 64 64 VAL HG13 H 1 0.895 0.02 . 2 . . . . 64 VAL HG1 . 18697 1 595 . 1 1 64 64 VAL C C 13 176.101 0.2 . 1 . . . . 64 VAL C . 18697 1 596 . 1 1 64 64 VAL CA C 13 62.158 0.2 . 1 . . . . 64 VAL CA . 18697 1 597 . 1 1 64 64 VAL CB C 13 32.72 0.2 . 1 . . . . 64 VAL CB . 18697 1 598 . 1 1 64 64 VAL CG1 C 13 20.933 0.2 . 2 . . . . 64 VAL CG1 . 18697 1 599 . 1 1 64 64 VAL N N 15 120.056 0.2 . 1 . . . . 64 VAL N . 18697 1 600 . 1 1 65 65 LEU H H 1 8.361 0.02 . 1 . . . . 65 LEU H . 18697 1 601 . 1 1 65 65 LEU HA H 1 4.615 0.02 . 1 . . . . 65 LEU HA . 18697 1 602 . 1 1 65 65 LEU HB2 H 1 1.579 0.02 . 2 . . . . 65 LEU HB2 . 18697 1 603 . 1 1 65 65 LEU HD11 H 1 0.874 0.02 . 2 . . . . 65 LEU HD1 . 18697 1 604 . 1 1 65 65 LEU HD12 H 1 0.874 0.02 . 2 . . . . 65 LEU HD1 . 18697 1 605 . 1 1 65 65 LEU HD13 H 1 0.874 0.02 . 2 . . . . 65 LEU HD1 . 18697 1 606 . 1 1 65 65 LEU CA C 13 53.004 0.2 . 1 . . . . 65 LEU CA . 18697 1 607 . 1 1 65 65 LEU CB C 13 41.869 0.2 . 1 . . . . 65 LEU CB . 18697 1 608 . 1 1 65 65 LEU N N 15 128.388 0.2 . 1 . . . . 65 LEU N . 18697 1 609 . 1 1 66 66 PRO HA H 1 4.417 0.02 . 1 . . . . 66 PRO HA . 18697 1 610 . 1 1 66 66 PRO HB2 H 1 2.279 0.02 . 2 . . . . 66 PRO HB2 . 18697 1 611 . 1 1 66 66 PRO HB3 H 1 1.895 0.02 . 2 . . . . 66 PRO HB3 . 18697 1 612 . 1 1 66 66 PRO HG2 H 1 2.015 0.02 . 2 . . . . 66 PRO HG2 . 18697 1 613 . 1 1 66 66 PRO HD2 H 1 3.846 0.02 . 2 . . . . 66 PRO HD2 . 18697 1 614 . 1 1 66 66 PRO HD3 H 1 3.658 0.02 . 2 . . . . 66 PRO HD3 . 18697 1 615 . 1 1 66 66 PRO C C 13 177.055 0.2 . 1 . . . . 66 PRO C . 18697 1 616 . 1 1 66 66 PRO CA C 13 63.107 0.2 . 1 . . . . 66 PRO CA . 18697 1 617 . 1 1 66 66 PRO CB C 13 32.081 0.2 . 1 . . . . 66 PRO CB . 18697 1 618 . 1 1 66 66 PRO CG C 13 27.473 0.2 . 1 . . . . 66 PRO CG . 18697 1 619 . 1 1 66 66 PRO CD C 13 50.718 0.2 . 1 . . . . 66 PRO CD . 18697 1 620 . 1 1 67 67 GLU H H 1 8.564 0.02 . 1 . . . . 67 GLU H . 18697 1 621 . 1 1 67 67 GLU HA H 1 4.335 0.02 . 1 . . . . 67 GLU HA . 18697 1 622 . 1 1 67 67 GLU HB2 H 1 2.063 0.02 . 2 . . . . 67 GLU HB2 . 18697 1 623 . 1 1 67 67 GLU HB3 H 1 1.973 0.02 . 2 . . . . 67 GLU HB3 . 18697 1 624 . 1 1 67 67 GLU HG2 H 1 2.285 0.02 . 2 . . . . 67 GLU HG2 . 18697 1 625 . 1 1 67 67 GLU C C 13 177.012 0.2 . 1 . . . . 67 GLU C . 18697 1 626 . 1 1 67 67 GLU CA C 13 56.705 0.2 . 1 . . . . 67 GLU CA . 18697 1 627 . 1 1 67 67 GLU CB C 13 30.167 0.2 . 1 . . . . 67 GLU CB . 18697 1 628 . 1 1 67 67 GLU CG C 13 36.239 0.2 . 1 . . . . 67 GLU CG . 18697 1 629 . 1 1 67 67 GLU N N 15 121.724 0.2 . 1 . . . . 67 GLU N . 18697 1 630 . 1 1 68 68 THR H H 1 8.206 0.02 . 1 . . . . 68 THR H . 18697 1 631 . 1 1 68 68 THR HA H 1 4.378 0.02 . 1 . . . . 68 THR HA . 18697 1 632 . 1 1 68 68 THR HB H 1 4.275 0.02 . 1 . . . . 68 THR HB . 18697 1 633 . 1 1 68 68 THR HG21 H 1 1.18 0.02 . 1 . . . . 68 THR HG2 . 18697 1 634 . 1 1 68 68 THR HG22 H 1 1.18 0.02 . 1 . . . . 68 THR HG2 . 18697 1 635 . 1 1 68 68 THR HG23 H 1 1.18 0.02 . 1 . . . . 68 THR HG2 . 18697 1 636 . 1 1 68 68 THR C C 13 175.392 0.2 . 1 . . . . 68 THR C . 18697 1 637 . 1 1 68 68 THR CA C 13 61.921 0.2 . 1 . . . . 68 THR CA . 18697 1 638 . 1 1 68 68 THR CB C 13 69.921 0.2 . 1 . . . . 68 THR CB . 18697 1 639 . 1 1 68 68 THR CG2 C 13 21.653 0.2 . 1 . . . . 68 THR CG2 . 18697 1 640 . 1 1 68 68 THR N N 15 115.293 0.2 . 1 . . . . 68 THR N . 18697 1 641 . 1 1 69 69 GLY H H 1 8.491 0.02 . 1 . . . . 69 GLY H . 18697 1 642 . 1 1 69 69 GLY HA2 H 1 3.978 0.02 . 2 . . . . 69 GLY HA2 . 18697 1 643 . 1 1 69 69 GLY C C 13 174.732 0.2 . 1 . . . . 69 GLY C . 18697 1 644 . 1 1 69 69 GLY CA C 13 45.514 0.2 . 1 . . . . 69 GLY CA . 18697 1 645 . 1 1 69 69 GLY N N 15 111.786 0.2 . 1 . . . . 69 GLY N . 18697 1 646 . 1 1 70 70 GLY H H 1 8.271 0.02 . 1 . . . . 70 GLY H . 18697 1 647 . 1 1 70 70 GLY HA2 H 1 3.857 0.02 . 2 . . . . 70 GLY HA2 . 18697 1 648 . 1 1 70 70 GLY C C 13 174.008 0.2 . 1 . . . . 70 GLY C . 18697 1 649 . 1 1 70 70 GLY CA C 13 45.273 0.2 . 1 . . . . 70 GLY CA . 18697 1 650 . 1 1 70 70 GLY N N 15 108.915 0.2 . 1 . . . . 70 GLY N . 18697 1 651 . 1 1 71 71 HIS H H 1 8.298 0.02 . 1 . . . . 71 HIS H . 18697 1 652 . 1 1 71 71 HIS CA C 13 55.59 0.2 . 1 . . . . 71 HIS CA . 18697 1 653 . 1 1 71 71 HIS CB C 13 29.528 0.2 . 1 . . . . 71 HIS CB . 18697 1 654 . 1 1 71 71 HIS N N 15 118.713 0.2 . 1 . . . . 71 HIS N . 18697 1 655 . 1 1 75 75 HIS C C 13 173.824 0.2 . 1 . . . . 75 HIS C . 18697 1 656 . 1 1 75 75 HIS CA C 13 55.666 0.2 . 1 . . . . 75 HIS CA . 18697 1 657 . 1 1 75 75 HIS CB C 13 29.696 0.2 . 1 . . . . 75 HIS CB . 18697 1 658 . 1 1 76 76 HIS H H 1 8.287 0.02 . 1 . . . . 76 HIS H . 18697 1 659 . 1 1 76 76 HIS CA C 13 57.183 0.2 . 1 . . . . 76 HIS CA . 18697 1 660 . 1 1 76 76 HIS CB C 13 29.936 0.2 . 1 . . . . 76 HIS CB . 18697 1 661 . 1 1 76 76 HIS N N 15 126.01 0.2 . 1 . . . . 76 HIS N . 18697 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 18697 _Assigned_chem_shift_list.ID 2 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Error values are based on spectral quality.' _Assigned_chem_shift_list.Details 'This assignment list differs from assigned_chem_shift_list_1 involving residues 62-65.' _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' . . . 18697 2 2 '3D HNCACB' . . . 18697 2 3 '3D HNCO' . . . 18697 2 4 '3D C(CO)NH' . . . 18697 2 5 '3D H(CCO)NH' . . . 18697 2 6 '3D 1H-15N TOCSY' . . . 18697 2 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 . 2 2 2 2 ALA HA H 1 4.374 0.02 . 1 . . . . 2 ALA HA . 18697 2 2 . 2 2 2 2 ALA HB1 H 1 1.407 0.02 . 1 . . . . 2 ALA HB . 18697 2 3 . 2 2 2 2 ALA HB2 H 1 1.407 0.02 . 1 . . . . 2 ALA HB . 18697 2 4 . 2 2 2 2 ALA HB3 H 1 1.407 0.02 . 1 . . . . 2 ALA HB . 18697 2 5 . 2 2 2 2 ALA C C 13 176.971 0.2 . 1 . . . . 2 ALA C . 18697 2 6 . 2 2 2 2 ALA CA C 13 52.434 0.2 . 1 . . . . 2 ALA CA . 18697 2 7 . 2 2 2 2 ALA CB C 13 19.358 0.2 . 1 . . . . 2 ALA CB . 18697 2 8 . 2 2 3 3 ALA H H 1 8.415 0.02 . 1 . . . . 3 ALA H . 18697 2 9 . 2 2 3 3 ALA HA H 1 4.327 0.02 . 1 . . . . 3 ALA HA . 18697 2 10 . 2 2 3 3 ALA HB1 H 1 1.385 0.02 . 1 . . . . 3 ALA HB . 18697 2 11 . 2 2 3 3 ALA HB2 H 1 1.385 0.02 . 1 . . . . 3 ALA HB . 18697 2 12 . 2 2 3 3 ALA HB3 H 1 1.385 0.02 . 1 . . . . 3 ALA HB . 18697 2 13 . 2 2 3 3 ALA C C 13 177.755 0.2 . 1 . . . . 3 ALA C . 18697 2 14 . 2 2 3 3 ALA CA C 13 52.427 0.2 . 1 . . . . 3 ALA CA . 18697 2 15 . 2 2 3 3 ALA CB C 13 19.288 0.2 . 1 . . . . 3 ALA CB . 18697 2 16 . 2 2 3 3 ALA N N 15 125.033 0.2 . 1 . . . . 3 ALA N . 18697 2 17 . 2 2 4 4 VAL H H 1 8.145 0.02 . 1 . . . . 4 VAL H . 18697 2 18 . 2 2 4 4 VAL HA H 1 4.086 0.02 . 1 . . . . 4 VAL HA . 18697 2 19 . 2 2 4 4 VAL HB H 1 2.043 0.02 . 1 . . . . 4 VAL HB . 18697 2 20 . 2 2 4 4 VAL HG11 H 1 0.939 0.02 . 2 . . . . 4 VAL HG1 . 18697 2 21 . 2 2 4 4 VAL HG12 H 1 0.939 0.02 . 2 . . . . 4 VAL HG1 . 18697 2 22 . 2 2 4 4 VAL HG13 H 1 0.939 0.02 . 2 . . . . 4 VAL HG1 . 18697 2 23 . 2 2 4 4 VAL C C 13 176.207 0.2 . 1 . . . . 4 VAL C . 18697 2 24 . 2 2 4 4 VAL CA C 13 62.268 0.2 . 1 . . . . 4 VAL CA . 18697 2 25 . 2 2 4 4 VAL CB C 13 32.938 0.2 . 1 . . . . 4 VAL CB . 18697 2 26 . 2 2 4 4 VAL CG1 C 13 20.93 0.2 . 2 . . . . 4 VAL CG1 . 18697 2 27 . 2 2 4 4 VAL N N 15 120.489 0.2 . 1 . . . . 4 VAL N . 18697 2 28 . 2 2 5 5 GLN H H 1 8.455 0.02 . 1 . . . . 5 GLN H . 18697 2 29 . 2 2 5 5 GLN HA H 1 4.332 0.02 . 1 . . . . 5 GLN HA . 18697 2 30 . 2 2 5 5 GLN HB2 H 1 2.091 0.02 . 2 . . . . 5 GLN HB2 . 18697 2 31 . 2 2 5 5 GLN HB3 H 1 1.98 0.02 . 2 . . . . 5 GLN HB3 . 18697 2 32 . 2 2 5 5 GLN HG2 H 1 2.372 0.02 . 2 . . . . 5 GLN HG2 . 18697 2 33 . 2 2 5 5 GLN C C 13 175.58 0.2 . 1 . . . . 5 GLN C . 18697 2 34 . 2 2 5 5 GLN CA C 13 55.676 0.2 . 1 . . . . 5 GLN CA . 18697 2 35 . 2 2 5 5 GLN CB C 13 29.66 0.2 . 1 . . . . 5 GLN CB . 18697 2 36 . 2 2 5 5 GLN CG C 13 33.845 0.2 . 1 . . . . 5 GLN CG . 18697 2 37 . 2 2 5 5 GLN N N 15 125.338 0.2 . 1 . . . . 5 GLN N . 18697 2 38 . 2 2 6 6 ALA H H 1 8.39 0.02 . 1 . . . . 6 ALA H . 18697 2 39 . 2 2 6 6 ALA HA H 1 4.285 0.02 . 1 . . . . 6 ALA HA . 18697 2 40 . 2 2 6 6 ALA HB1 H 1 1.394 0.02 . 1 . . . . 6 ALA HB . 18697 2 41 . 2 2 6 6 ALA HB2 H 1 1.394 0.02 . 1 . . . . 6 ALA HB . 18697 2 42 . 2 2 6 6 ALA HB3 H 1 1.394 0.02 . 1 . . . . 6 ALA HB . 18697 2 43 . 2 2 6 6 ALA C C 13 177.376 0.2 . 1 . . . . 6 ALA C . 18697 2 44 . 2 2 6 6 ALA CA C 13 52.554 0.2 . 1 . . . . 6 ALA CA . 18697 2 45 . 2 2 6 6 ALA CB C 13 19.391 0.2 . 1 . . . . 6 ALA CB . 18697 2 46 . 2 2 6 6 ALA N N 15 126.926 0.2 . 1 . . . . 6 ALA N . 18697 2 47 . 2 2 7 7 ALA H H 1 8.276 0.02 . 1 . . . . 7 ALA H . 18697 2 48 . 2 2 7 7 ALA HA H 1 4.294 0.02 . 1 . . . . 7 ALA HA . 18697 2 49 . 2 2 7 7 ALA HB1 H 1 1.388 0.02 . 1 . . . . 7 ALA HB . 18697 2 50 . 2 2 7 7 ALA HB2 H 1 1.388 0.02 . 1 . . . . 7 ALA HB . 18697 2 51 . 2 2 7 7 ALA HB3 H 1 1.388 0.02 . 1 . . . . 7 ALA HB . 18697 2 52 . 2 2 7 7 ALA C C 13 177.699 0.2 . 1 . . . . 7 ALA C . 18697 2 53 . 2 2 7 7 ALA CA C 13 52.472 0.2 . 1 . . . . 7 ALA CA . 18697 2 54 . 2 2 7 7 ALA CB C 13 19.406 0.2 . 1 . . . . 7 ALA CB . 18697 2 55 . 2 2 7 7 ALA N N 15 124.002 0.2 . 1 . . . . 7 ALA N . 18697 2 56 . 2 2 8 8 GLU H H 1 8.339 0.02 . 1 . . . . 8 GLU H . 18697 2 57 . 2 2 8 8 GLU HA H 1 4.285 0.02 . 1 . . . . 8 GLU HA . 18697 2 58 . 2 2 8 8 GLU HB2 H 1 2.01 0.02 . 2 . . . . 8 GLU HB2 . 18697 2 59 . 2 2 8 8 GLU HB3 H 1 1.947 0.02 . 2 . . . . 8 GLU HB3 . 18697 2 60 . 2 2 8 8 GLU HG2 H 1 2.269 0.02 . 2 . . . . 8 GLU HG2 . 18697 2 61 . 2 2 8 8 GLU HG3 H 1 2.217 0.02 . 2 . . . . 8 GLU HG3 . 18697 2 62 . 2 2 8 8 GLU C C 13 176.336 0.2 . 1 . . . . 8 GLU C . 18697 2 63 . 2 2 8 8 GLU CA C 13 56.469 0.2 . 1 . . . . 8 GLU CA . 18697 2 64 . 2 2 8 8 GLU CB C 13 30.474 0.2 . 1 . . . . 8 GLU CB . 18697 2 65 . 2 2 8 8 GLU CG C 13 36.238 0.2 . 1 . . . . 8 GLU CG . 18697 2 66 . 2 2 8 8 GLU N N 15 120.986 0.2 . 1 . . . . 8 GLU N . 18697 2 67 . 2 2 9 9 VAL H H 1 8.18 0.02 . 1 . . . . 9 VAL H . 18697 2 68 . 2 2 9 9 VAL HA H 1 4.078 0.02 . 1 . . . . 9 VAL HA . 18697 2 69 . 2 2 9 9 VAL HB H 1 2.033 0.02 . 1 . . . . 9 VAL HB . 18697 2 70 . 2 2 9 9 VAL HG11 H 1 0.926 0.02 . 2 . . . . 9 VAL HG1 . 18697 2 71 . 2 2 9 9 VAL HG12 H 1 0.926 0.02 . 2 . . . . 9 VAL HG1 . 18697 2 72 . 2 2 9 9 VAL HG13 H 1 0.926 0.02 . 2 . . . . 9 VAL HG1 . 18697 2 73 . 2 2 9 9 VAL C C 13 175.88 0.2 . 1 . . . . 9 VAL C . 18697 2 74 . 2 2 9 9 VAL CA C 13 62.284 0.2 . 1 . . . . 9 VAL CA . 18697 2 75 . 2 2 9 9 VAL CB C 13 32.776 0.2 . 1 . . . . 9 VAL CB . 18697 2 76 . 2 2 9 9 VAL CG1 C 13 20.985 0.2 . 2 . . . . 9 VAL CG1 . 18697 2 77 . 2 2 9 9 VAL N N 15 123.149 0.2 . 1 . . . . 9 VAL N . 18697 2 78 . 2 2 10 10 LYS H H 1 8.453 0.02 . 1 . . . . 10 LYS H . 18697 2 79 . 2 2 10 10 LYS HA H 1 4.409 0.02 . 1 . . . . 10 LYS HA . 18697 2 80 . 2 2 10 10 LYS HB2 H 1 1.796 0.02 . 2 . . . . 10 LYS HB2 . 18697 2 81 . 2 2 10 10 LYS HB3 H 1 1.75 0.02 . 2 . . . . 10 LYS HB3 . 18697 2 82 . 2 2 10 10 LYS HG2 H 1 1.404 0.02 . 2 . . . . 10 LYS HG2 . 18697 2 83 . 2 2 10 10 LYS HD2 H 1 1.678 0.02 . 2 . . . . 10 LYS HD2 . 18697 2 84 . 2 2 10 10 LYS HE2 H 1 2.989 0.02 . 2 . . . . 10 LYS HE2 . 18697 2 85 . 2 2 10 10 LYS C C 13 176.476 0.2 . 1 . . . . 10 LYS C . 18697 2 86 . 2 2 10 10 LYS CA C 13 55.923 0.2 . 1 . . . . 10 LYS CA . 18697 2 87 . 2 2 10 10 LYS CB C 13 33.206 0.2 . 1 . . . . 10 LYS CB . 18697 2 88 . 2 2 10 10 LYS CG C 13 24.754 0.2 . 1 . . . . 10 LYS CG . 18697 2 89 . 2 2 10 10 LYS CD C 13 29.084 0.2 . 1 . . . . 10 LYS CD . 18697 2 90 . 2 2 10 10 LYS CE C 13 42.414 0.2 . 1 . . . . 10 LYS CE . 18697 2 91 . 2 2 10 10 LYS N N 15 127.108 0.2 . 1 . . . . 10 LYS N . 18697 2 92 . 2 2 11 11 VAL H H 1 8.344 0.02 . 1 . . . . 11 VAL H . 18697 2 93 . 2 2 11 11 VAL HA H 1 4.168 0.02 . 1 . . . . 11 VAL HA . 18697 2 94 . 2 2 11 11 VAL HB H 1 2.094 0.02 . 1 . . . . 11 VAL HB . 18697 2 95 . 2 2 11 11 VAL HG11 H 1 0.927 0.02 . 2 . . . . 11 VAL HG1 . 18697 2 96 . 2 2 11 11 VAL HG12 H 1 0.927 0.02 . 2 . . . . 11 VAL HG1 . 18697 2 97 . 2 2 11 11 VAL HG13 H 1 0.927 0.02 . 2 . . . . 11 VAL HG1 . 18697 2 98 . 2 2 11 11 VAL C C 13 176.006 0.2 . 1 . . . . 11 VAL C . 18697 2 99 . 2 2 11 11 VAL CA C 13 62.085 0.2 . 1 . . . . 11 VAL CA . 18697 2 100 . 2 2 11 11 VAL CB C 13 32.937 0.2 . 1 . . . . 11 VAL CB . 18697 2 101 . 2 2 11 11 VAL CG1 C 13 21.13 0.2 . 2 . . . . 11 VAL CG1 . 18697 2 102 . 2 2 11 11 VAL CG2 C 13 20.517 0.2 . 2 . . . . 11 VAL CG2 . 18697 2 103 . 2 2 11 11 VAL N N 15 122.994 0.2 . 1 . . . . 11 VAL N . 18697 2 104 . 2 2 12 12 ASP H H 1 8.513 0.02 . 1 . . . . 12 ASP H . 18697 2 105 . 2 2 12 12 ASP HA H 1 4.628 0.02 . 1 . . . . 12 ASP HA . 18697 2 106 . 2 2 12 12 ASP HB2 H 1 2.702 0.02 . 2 . . . . 12 ASP HB2 . 18697 2 107 . 2 2 12 12 ASP C C 13 176.84 0.2 . 1 . . . . 12 ASP C . 18697 2 108 . 2 2 12 12 ASP CA C 13 54.431 0.2 . 1 . . . . 12 ASP CA . 18697 2 109 . 2 2 12 12 ASP CB C 13 41.375 0.2 . 1 . . . . 12 ASP CB . 18697 2 110 . 2 2 12 12 ASP N N 15 125.117 0.2 . 1 . . . . 12 ASP N . 18697 2 111 . 2 2 13 13 GLY H H 1 8.469 0.02 . 1 . . . . 13 GLY H . 18697 2 112 . 2 2 13 13 GLY HA2 H 1 4.008 0.02 . 2 . . . . 13 GLY HA2 . 18697 2 113 . 2 2 13 13 GLY C C 13 174.459 0.2 . 1 . . . . 13 GLY C . 18697 2 114 . 2 2 13 13 GLY CA C 13 45.571 0.2 . 1 . . . . 13 GLY CA . 18697 2 115 . 2 2 13 13 GLY N N 15 110.835 0.2 . 1 . . . . 13 GLY N . 18697 2 116 . 2 2 14 14 SER H H 1 8.257 0.02 . 1 . . . . 14 SER H . 18697 2 117 . 2 2 14 14 SER HA H 1 4.444 0.02 . 1 . . . . 14 SER HA . 18697 2 118 . 2 2 14 14 SER HB2 H 1 3.875 0.02 . 2 . . . . 14 SER HB2 . 18697 2 119 . 2 2 14 14 SER C C 13 174.304 0.2 . 1 . . . . 14 SER C . 18697 2 120 . 2 2 14 14 SER CA C 13 58.592 0.2 . 1 . . . . 14 SER CA . 18697 2 121 . 2 2 14 14 SER CB C 13 63.963 0.2 . 1 . . . . 14 SER CB . 18697 2 122 . 2 2 14 14 SER N N 15 116.409 0.2 . 1 . . . . 14 SER N . 18697 2 123 . 2 2 15 15 GLU H H 1 8.422 0.02 . 1 . . . . 15 GLU H . 18697 2 124 . 2 2 15 15 GLU HA H 1 4.586 0.02 . 1 . . . . 15 GLU HA . 18697 2 125 . 2 2 15 15 GLU HB2 H 1 2.046 0.02 . 2 . . . . 15 GLU HB2 . 18697 2 126 . 2 2 15 15 GLU HG2 H 1 2.299 0.02 . 2 . . . . 15 GLU HG2 . 18697 2 127 . 2 2 15 15 GLU HG3 H 1 1.923 0.02 . 2 . . . . 15 GLU HG3 . 18697 2 128 . 2 2 15 15 GLU CA C 13 54.691 0.2 . 1 . . . . 15 GLU CA . 18697 2 129 . 2 2 15 15 GLU CB C 13 29.657 0.2 . 1 . . . . 15 GLU CB . 18697 2 130 . 2 2 15 15 GLU N N 15 124.448 0.2 . 1 . . . . 15 GLU N . 18697 2 131 . 2 2 16 16 PRO HA H 1 4.405 0.02 . 1 . . . . 16 PRO HA . 18697 2 132 . 2 2 16 16 PRO HB2 H 1 2.289 0.02 . 2 . . . . 16 PRO HB2 . 18697 2 133 . 2 2 16 16 PRO HB3 H 1 1.873 0.02 . 2 . . . . 16 PRO HB3 . 18697 2 134 . 2 2 16 16 PRO HG2 H 1 2.023 0.02 . 2 . . . . 16 PRO HG2 . 18697 2 135 . 2 2 16 16 PRO C C 13 176.813 0.2 . 1 . . . . 16 PRO C . 18697 2 136 . 2 2 16 16 PRO CA C 13 63.326 0.2 . 1 . . . . 16 PRO CA . 18697 2 137 . 2 2 16 16 PRO CB C 13 32.157 0.2 . 1 . . . . 16 PRO CB . 18697 2 138 . 2 2 16 16 PRO CG C 13 27.501 0.2 . 1 . . . . 16 PRO CG . 18697 2 139 . 2 2 16 16 PRO CD C 13 50.792 0.2 . 1 . . . . 16 PRO CD . 18697 2 140 . 2 2 17 17 LYS H H 1 8.454 0.02 . 1 . . . . 17 LYS H . 18697 2 141 . 2 2 17 17 LYS HA H 1 4.328 0.02 . 1 . . . . 17 LYS HA . 18697 2 142 . 2 2 17 17 LYS HB2 H 1 1.815 0.02 . 2 . . . . 17 LYS HB2 . 18697 2 143 . 2 2 17 17 LYS HB3 H 1 1.754 0.02 . 2 . . . . 17 LYS HB3 . 18697 2 144 . 2 2 17 17 LYS HG2 H 1 1.44 0.02 . 2 . . . . 17 LYS HG2 . 18697 2 145 . 2 2 17 17 LYS HE2 H 1 3.017 0.02 . 2 . . . . 17 LYS HE2 . 18697 2 146 . 2 2 17 17 LYS C C 13 176.531 0.2 . 1 . . . . 17 LYS C . 18697 2 147 . 2 2 17 17 LYS CA C 13 56.108 0.2 . 1 . . . . 17 LYS CA . 18697 2 148 . 2 2 17 17 LYS CB C 13 32.957 0.2 . 1 . . . . 17 LYS CB . 18697 2 149 . 2 2 17 17 LYS CG C 13 24.754 0.2 . 1 . . . . 17 LYS CG . 18697 2 150 . 2 2 17 17 LYS CD C 13 29.148 0.2 . 1 . . . . 17 LYS CD . 18697 2 151 . 2 2 17 17 LYS CE C 13 42.276 0.2 . 1 . . . . 17 LYS CE . 18697 2 152 . 2 2 17 17 LYS N N 15 122.614 0.2 . 1 . . . . 17 LYS N . 18697 2 153 . 2 2 18 18 LEU H H 1 8.22 0.02 . 1 . . . . 18 LEU H . 18697 2 154 . 2 2 18 18 LEU HA H 1 4.46 0.02 . 1 . . . . 18 LEU HA . 18697 2 155 . 2 2 18 18 LEU HB2 H 1 1.648 0.02 . 2 . . . . 18 LEU HB2 . 18697 2 156 . 2 2 18 18 LEU HG H 1 1.517 0.02 . 1 . . . . 18 LEU HG . 18697 2 157 . 2 2 18 18 LEU C C 13 177.24 0.2 . 1 . . . . 18 LEU C . 18697 2 158 . 2 2 18 18 LEU CA C 13 54.724 0.2 . 1 . . . . 18 LEU CA . 18697 2 159 . 2 2 18 18 LEU CB C 13 43.045 0.2 . 1 . . . . 18 LEU CB . 18697 2 160 . 2 2 18 18 LEU CG C 13 26.918 0.2 . 1 . . . . 18 LEU CG . 18697 2 161 . 2 2 18 18 LEU N N 15 124.629 0.2 . 1 . . . . 18 LEU N . 18697 2 162 . 2 2 19 19 SER H H 1 8.597 0.02 . 1 . . . . 19 SER H . 18697 2 163 . 2 2 19 19 SER HA H 1 4.23 0.02 . 1 . . . . 19 SER HA . 18697 2 164 . 2 2 19 19 SER HB2 H 1 3.998 0.02 . 2 . . . . 19 SER HB2 . 18697 2 165 . 2 2 19 19 SER C C 13 174.815 0.2 . 1 . . . . 19 SER C . 18697 2 166 . 2 2 19 19 SER CA C 13 57.721 0.2 . 1 . . . . 19 SER CA . 18697 2 167 . 2 2 19 19 SER CB C 13 64.455 0.2 . 1 . . . . 19 SER CB . 18697 2 168 . 2 2 19 19 SER N N 15 118.855 0.2 . 1 . . . . 19 SER N . 18697 2 169 . 2 2 20 20 LYS H H 1 8.786 0.02 . 1 . . . . 20 LYS H . 18697 2 170 . 2 2 20 20 LYS HA H 1 4.121 0.02 . 1 . . . . 20 LYS HA . 18697 2 171 . 2 2 20 20 LYS HB2 H 1 1.879 0.02 . 2 . . . . 20 LYS HB2 . 18697 2 172 . 2 2 20 20 LYS HG2 H 1 1.595 0.02 . 2 . . . . 20 LYS HG2 . 18697 2 173 . 2 2 20 20 LYS HE2 H 1 3.039 0.02 . 2 . . . . 20 LYS HE2 . 18697 2 174 . 2 2 20 20 LYS C C 13 178.654 0.2 . 1 . . . . 20 LYS C . 18697 2 175 . 2 2 20 20 LYS CA C 13 59.02 0.2 . 1 . . . . 20 LYS CA . 18697 2 176 . 2 2 20 20 LYS CB C 13 32.313 0.2 . 1 . . . . 20 LYS CB . 18697 2 177 . 2 2 20 20 LYS CD C 13 28.809 0.2 . 1 . . . . 20 LYS CD . 18697 2 178 . 2 2 20 20 LYS N N 15 123.384 0.2 . 1 . . . . 20 LYS N . 18697 2 179 . 2 2 21 21 ASN H H 1 8.728 0.02 . 1 . . . . 21 ASN H . 18697 2 180 . 2 2 21 21 ASN HA H 1 4.537 0.02 . 1 . . . . 21 ASN HA . 18697 2 181 . 2 2 21 21 ASN HB2 H 1 2.815 0.02 . 2 . . . . 21 ASN HB2 . 18697 2 182 . 2 2 21 21 ASN HD21 H 1 7.682 0.02 . 1 . . . . 21 ASN HD21 . 18697 2 183 . 2 2 21 21 ASN HD22 H 1 7.187 0.02 . 1 . . . . 21 ASN HD22 . 18697 2 184 . 2 2 21 21 ASN C C 13 177.18 0.2 . 1 . . . . 21 ASN C . 18697 2 185 . 2 2 21 21 ASN CA C 13 55.294 0.2 . 1 . . . . 21 ASN CA . 18697 2 186 . 2 2 21 21 ASN CB C 13 38.498 0.2 . 1 . . . . 21 ASN CB . 18697 2 187 . 2 2 21 21 ASN N N 15 118.86 0.2 . 1 . . . . 21 ASN N . 18697 2 188 . 2 2 21 21 ASN ND2 N 15 113.525 0.2 . 1 . . . . 21 ASN ND2 . 18697 2 189 . 2 2 22 22 GLU H H 1 8.143 0.02 . 1 . . . . 22 GLU H . 18697 2 190 . 2 2 22 22 GLU HA H 1 4.181 0.02 . 1 . . . . 22 GLU HA . 18697 2 191 . 2 2 22 22 GLU HB2 H 1 2.044 0.02 . 2 . . . . 22 GLU HB2 . 18697 2 192 . 2 2 22 22 GLU HG2 H 1 2.347 0.02 . 2 . . . . 22 GLU HG2 . 18697 2 193 . 2 2 22 22 GLU HG3 H 1 2.268 0.02 . 2 . . . . 22 GLU HG3 . 18697 2 194 . 2 2 22 22 GLU C C 13 178.282 0.2 . 1 . . . . 22 GLU C . 18697 2 195 . 2 2 22 22 GLU CA C 13 58.505 0.2 . 1 . . . . 22 GLU CA . 18697 2 196 . 2 2 22 22 GLU CB C 13 29.825 0.2 . 1 . . . . 22 GLU CB . 18697 2 197 . 2 2 22 22 GLU CG C 13 36.215 0.2 . 1 . . . . 22 GLU CG . 18697 2 198 . 2 2 22 22 GLU N N 15 122.708 0.2 . 1 . . . . 22 GLU N . 18697 2 199 . 2 2 23 23 LEU H H 1 8.268 0.02 . 1 . . . . 23 LEU H . 18697 2 200 . 2 2 23 23 LEU HA H 1 3.882 0.02 . 1 . . . . 23 LEU HA . 18697 2 201 . 2 2 23 23 LEU HB2 H 1 1.74 0.02 . 2 . . . . 23 LEU HB2 . 18697 2 202 . 2 2 23 23 LEU HG H 1 1.654 0.02 . 1 . . . . 23 LEU HG . 18697 2 203 . 2 2 23 23 LEU C C 13 178.82 0.2 . 1 . . . . 23 LEU C . 18697 2 204 . 2 2 23 23 LEU CA C 13 57.63 0.2 . 1 . . . . 23 LEU CA . 18697 2 205 . 2 2 23 23 LEU CB C 13 41.77 0.2 . 1 . . . . 23 LEU CB . 18697 2 206 . 2 2 23 23 LEU CG C 13 27.557 0.2 . 1 . . . . 23 LEU CG . 18697 2 207 . 2 2 23 23 LEU CD1 C 13 24.56 0.2 . 2 . . . . 23 LEU CD1 . 18697 2 208 . 2 2 23 23 LEU N N 15 122.219 0.2 . 1 . . . . 23 LEU N . 18697 2 209 . 2 2 24 24 LYS H H 1 8.024 0.02 . 1 . . . . 24 LYS H . 18697 2 210 . 2 2 24 24 LYS HA H 1 4.073 0.02 . 1 . . . . 24 LYS HA . 18697 2 211 . 2 2 24 24 LYS HB2 H 1 1.899 0.02 . 2 . . . . 24 LYS HB2 . 18697 2 212 . 2 2 24 24 LYS C C 13 178.626 0.2 . 1 . . . . 24 LYS C . 18697 2 213 . 2 2 24 24 LYS CA C 13 58.993 0.2 . 1 . . . . 24 LYS CA . 18697 2 214 . 2 2 24 24 LYS CB C 13 32.624 0.2 . 1 . . . . 24 LYS CB . 18697 2 215 . 2 2 24 24 LYS CG C 13 25.109 0.2 . 1 . . . . 24 LYS CG . 18697 2 216 . 2 2 24 24 LYS N N 15 119.995 0.2 . 1 . . . . 24 LYS N . 18697 2 217 . 2 2 25 25 ARG H H 1 7.988 0.02 . 1 . . . . 25 ARG H . 18697 2 218 . 2 2 25 25 ARG HA H 1 4.085 0.02 . 1 . . . . 25 ARG HA . 18697 2 219 . 2 2 25 25 ARG HB2 H 1 1.87 0.02 . 2 . . . . 25 ARG HB2 . 18697 2 220 . 2 2 25 25 ARG HE H 1 7.367 0.02 . 1 . . . . 25 ARG HE . 18697 2 221 . 2 2 25 25 ARG C C 13 178.65 0.2 . 1 . . . . 25 ARG C . 18697 2 222 . 2 2 25 25 ARG CA C 13 58.864 0.2 . 1 . . . . 25 ARG CA . 18697 2 223 . 2 2 25 25 ARG CB C 13 30.594 0.2 . 1 . . . . 25 ARG CB . 18697 2 224 . 2 2 25 25 ARG CG C 13 27.784 0.2 . 1 . . . . 25 ARG CG . 18697 2 225 . 2 2 25 25 ARG CD C 13 43.633 0.2 . 1 . . . . 25 ARG CD . 18697 2 226 . 2 2 25 25 ARG N N 15 120.723 0.2 . 1 . . . . 25 ARG N . 18697 2 227 . 2 2 25 25 ARG NE N 15 84.756 0.2 . 1 . . . . 25 ARG NE . 18697 2 228 . 2 2 26 26 ARG H H 1 8.244 0.02 . 1 . . . . 26 ARG H . 18697 2 229 . 2 2 26 26 ARG HA H 1 4.193 0.02 . 1 . . . . 26 ARG HA . 18697 2 230 . 2 2 26 26 ARG HB2 H 1 2.069 0.02 . 2 . . . . 26 ARG HB2 . 18697 2 231 . 2 2 26 26 ARG HE H 1 7.695 0.02 . 1 . . . . 26 ARG HE . 18697 2 232 . 2 2 26 26 ARG C C 13 178.111 0.2 . 1 . . . . 26 ARG C . 18697 2 233 . 2 2 26 26 ARG CA C 13 58.468 0.2 . 1 . . . . 26 ARG CA . 18697 2 234 . 2 2 26 26 ARG CB C 13 30.217 0.2 . 1 . . . . 26 ARG CB . 18697 2 235 . 2 2 26 26 ARG CG C 13 27.559 0.2 . 1 . . . . 26 ARG CG . 18697 2 236 . 2 2 26 26 ARG CD C 13 43.703 0.2 . 1 . . . . 26 ARG CD . 18697 2 237 . 2 2 26 26 ARG N N 15 121.735 0.2 . 1 . . . . 26 ARG N . 18697 2 238 . 2 2 26 26 ARG NE N 15 85.569 0.2 . 1 . . . . 26 ARG NE . 18697 2 239 . 2 2 27 27 LEU H H 1 8.201 0.02 . 1 . . . . 27 LEU H . 18697 2 240 . 2 2 27 27 LEU HA H 1 4.199 0.02 . 1 . . . . 27 LEU HA . 18697 2 241 . 2 2 27 27 LEU HB2 H 1 1.77 0.02 . 2 . . . . 27 LEU HB2 . 18697 2 242 . 2 2 27 27 LEU HG H 1 1.6 0.02 . 1 . . . . 27 LEU HG . 18697 2 243 . 2 2 27 27 LEU HD11 H 1 0.858 0.02 . 2 . . . . 27 LEU HD1 . 18697 2 244 . 2 2 27 27 LEU HD12 H 1 0.858 0.02 . 2 . . . . 27 LEU HD1 . 18697 2 245 . 2 2 27 27 LEU HD13 H 1 0.858 0.02 . 2 . . . . 27 LEU HD1 . 18697 2 246 . 2 2 27 27 LEU C C 13 179.184 0.2 . 1 . . . . 27 LEU C . 18697 2 247 . 2 2 27 27 LEU CA C 13 57.055 0.2 . 1 . . . . 27 LEU CA . 18697 2 248 . 2 2 27 27 LEU CB C 13 41.984 0.2 . 1 . . . . 27 LEU CB . 18697 2 249 . 2 2 27 27 LEU N N 15 121.924 0.2 . 1 . . . . 27 LEU N . 18697 2 250 . 2 2 28 28 LYS H H 1 8.022 0.02 . 1 . . . . 28 LYS H . 18697 2 251 . 2 2 28 28 LYS HA H 1 4.115 0.02 . 1 . . . . 28 LYS HA . 18697 2 252 . 2 2 28 28 LYS HB2 H 1 1.883 0.02 . 2 . . . . 28 LYS HB2 . 18697 2 253 . 2 2 28 28 LYS HG2 H 1 1.572 0.02 . 2 . . . . 28 LYS HG2 . 18697 2 254 . 2 2 28 28 LYS HD2 H 1 1.728 0.02 . 2 . . . . 28 LYS HD2 . 18697 2 255 . 2 2 28 28 LYS C C 13 178.056 0.2 . 1 . . . . 28 LYS C . 18697 2 256 . 2 2 28 28 LYS CA C 13 58.458 0.2 . 1 . . . . 28 LYS CA . 18697 2 257 . 2 2 28 28 LYS CB C 13 32.648 0.2 . 1 . . . . 28 LYS CB . 18697 2 258 . 2 2 28 28 LYS CG C 13 25.211 0.2 . 1 . . . . 28 LYS CG . 18697 2 259 . 2 2 28 28 LYS CE C 13 41.396 0.2 . 1 . . . . 28 LYS CE . 18697 2 260 . 2 2 28 28 LYS N N 15 120.967 0.2 . 1 . . . . 28 LYS N . 18697 2 261 . 2 2 29 29 ALA H H 1 7.993 0.02 . 1 . . . . 29 ALA H . 18697 2 262 . 2 2 29 29 ALA HA H 1 4.218 0.02 . 1 . . . . 29 ALA HA . 18697 2 263 . 2 2 29 29 ALA HB1 H 1 1.486 0.02 . 1 . . . . 29 ALA HB . 18697 2 264 . 2 2 29 29 ALA HB2 H 1 1.486 0.02 . 1 . . . . 29 ALA HB . 18697 2 265 . 2 2 29 29 ALA HB3 H 1 1.486 0.02 . 1 . . . . 29 ALA HB . 18697 2 266 . 2 2 29 29 ALA C C 13 179.454 0.2 . 1 . . . . 29 ALA C . 18697 2 267 . 2 2 29 29 ALA CA C 13 54.008 0.2 . 1 . . . . 29 ALA CA . 18697 2 268 . 2 2 29 29 ALA CB C 13 18.66 0.2 . 1 . . . . 29 ALA CB . 18697 2 269 . 2 2 29 29 ALA N N 15 123.619 0.2 . 1 . . . . 29 ALA N . 18697 2 270 . 2 2 30 30 GLU H H 1 8.215 0.02 . 1 . . . . 30 GLU H . 18697 2 271 . 2 2 30 30 GLU HA H 1 4.136 0.02 . 1 . . . . 30 GLU HA . 18697 2 272 . 2 2 30 30 GLU HB2 H 1 2.075 0.02 . 2 . . . . 30 GLU HB2 . 18697 2 273 . 2 2 30 30 GLU C C 13 178.223 0.2 . 1 . . . . 30 GLU C . 18697 2 274 . 2 2 30 30 GLU CA C 13 58.088 0.2 . 1 . . . . 30 GLU CA . 18697 2 275 . 2 2 30 30 GLU CB C 13 30.115 0.2 . 1 . . . . 30 GLU CB . 18697 2 276 . 2 2 30 30 GLU CG C 13 36.481 0.2 . 1 . . . . 30 GLU CG . 18697 2 277 . 2 2 30 30 GLU N N 15 119.828 0.2 . 1 . . . . 30 GLU N . 18697 2 278 . 2 2 31 31 LYS H H 1 8.105 0.02 . 1 . . . . 31 LYS H . 18697 2 279 . 2 2 31 31 LYS HA H 1 4.222 0.02 . 1 . . . . 31 LYS HA . 18697 2 280 . 2 2 31 31 LYS HB2 H 1 1.889 0.02 . 2 . . . . 31 LYS HB2 . 18697 2 281 . 2 2 31 31 LYS HG2 H 1 1.539 0.02 . 2 . . . . 31 LYS HG2 . 18697 2 282 . 2 2 31 31 LYS C C 13 177.718 0.2 . 1 . . . . 31 LYS C . 18697 2 283 . 2 2 31 31 LYS CA C 13 57.93 0.2 . 1 . . . . 31 LYS CA . 18697 2 284 . 2 2 31 31 LYS CB C 13 32.672 0.2 . 1 . . . . 31 LYS CB . 18697 2 285 . 2 2 31 31 LYS CG C 13 24.791 0.2 . 1 . . . . 31 LYS CG . 18697 2 286 . 2 2 31 31 LYS N N 15 122.204 0.2 . 1 . . . . 31 LYS N . 18697 2 287 . 2 2 32 32 LYS H H 1 8.046 0.02 . 1 . . . . 32 LYS H . 18697 2 288 . 2 2 32 32 LYS HA H 1 4.252 0.02 . 1 . . . . 32 LYS HA . 18697 2 289 . 2 2 32 32 LYS HB2 H 1 1.884 0.02 . 2 . . . . 32 LYS HB2 . 18697 2 290 . 2 2 32 32 LYS HG2 H 1 1.551 0.02 . 2 . . . . 32 LYS HG2 . 18697 2 291 . 2 2 32 32 LYS C C 13 178.211 0.2 . 1 . . . . 32 LYS C . 18697 2 292 . 2 2 32 32 LYS CA C 13 57.788 0.2 . 1 . . . . 32 LYS CA . 18697 2 293 . 2 2 32 32 LYS CB C 13 32.645 0.2 . 1 . . . . 32 LYS CB . 18697 2 294 . 2 2 32 32 LYS CG C 13 24.924 0.2 . 1 . . . . 32 LYS CG . 18697 2 295 . 2 2 32 32 LYS N N 15 121.566 0.2 . 1 . . . . 32 LYS N . 18697 2 296 . 2 2 33 33 VAL H H 1 7.955 0.02 . 1 . . . . 33 VAL H . 18697 2 297 . 2 2 33 33 VAL HA H 1 3.897 0.02 . 1 . . . . 33 VAL HA . 18697 2 298 . 2 2 33 33 VAL HG11 H 1 0.951 0.02 . 2 . . . . 33 VAL HG1 . 18697 2 299 . 2 2 33 33 VAL HG12 H 1 0.951 0.02 . 2 . . . . 33 VAL HG1 . 18697 2 300 . 2 2 33 33 VAL HG13 H 1 0.951 0.02 . 2 . . . . 33 VAL HG1 . 18697 2 301 . 2 2 33 33 VAL C C 13 177.081 0.2 . 1 . . . . 33 VAL C . 18697 2 302 . 2 2 33 33 VAL CA C 13 64.441 0.2 . 1 . . . . 33 VAL CA . 18697 2 303 . 2 2 33 33 VAL CB C 13 32.373 0.2 . 1 . . . . 33 VAL CB . 18697 2 304 . 2 2 33 33 VAL CG1 C 13 21.476 0.2 . 2 . . . . 33 VAL CG1 . 18697 2 305 . 2 2 33 33 VAL N N 15 121.499 0.2 . 1 . . . . 33 VAL N . 18697 2 306 . 2 2 34 34 ALA H H 1 8.15 0.02 . 1 . . . . 34 ALA H . 18697 2 307 . 2 2 34 34 ALA HA H 1 4.254 0.02 . 1 . . . . 34 ALA HA . 18697 2 308 . 2 2 34 34 ALA HB1 H 1 1.471 0.02 . 1 . . . . 34 ALA HB . 18697 2 309 . 2 2 34 34 ALA HB2 H 1 1.471 0.02 . 1 . . . . 34 ALA HB . 18697 2 310 . 2 2 34 34 ALA HB3 H 1 1.471 0.02 . 1 . . . . 34 ALA HB . 18697 2 311 . 2 2 34 34 ALA C C 13 179.541 0.2 . 1 . . . . 34 ALA C . 18697 2 312 . 2 2 34 34 ALA CA C 13 53.912 0.2 . 1 . . . . 34 ALA CA . 18697 2 313 . 2 2 34 34 ALA CB C 13 18.682 0.2 . 1 . . . . 34 ALA CB . 18697 2 314 . 2 2 34 34 ALA N N 15 125.775 0.2 . 1 . . . . 34 ALA N . 18697 2 315 . 2 2 35 35 GLU H H 1 8.329 0.02 . 1 . . . . 35 GLU H . 18697 2 316 . 2 2 35 35 GLU HA H 1 4.181 0.02 . 1 . . . . 35 GLU HA . 18697 2 317 . 2 2 35 35 GLU HB2 H 1 2.08 0.02 . 2 . . . . 35 GLU HB2 . 18697 2 318 . 2 2 35 35 GLU HG2 H 1 2.405 0.02 . 2 . . . . 35 GLU HG2 . 18697 2 319 . 2 2 35 35 GLU HG3 H 1 2.267 0.02 . 2 . . . . 35 GLU HG3 . 18697 2 320 . 2 2 35 35 GLU C C 13 177.913 0.2 . 1 . . . . 35 GLU C . 18697 2 321 . 2 2 35 35 GLU CA C 13 57.989 0.2 . 1 . . . . 35 GLU CA . 18697 2 322 . 2 2 35 35 GLU CB C 13 29.993 0.2 . 1 . . . . 35 GLU CB . 18697 2 323 . 2 2 35 35 GLU CG C 13 36.374 0.2 . 1 . . . . 35 GLU CG . 18697 2 324 . 2 2 35 35 GLU N N 15 120.546 0.2 . 1 . . . . 35 GLU N . 18697 2 325 . 2 2 36 36 LYS H H 1 8.118 0.02 . 1 . . . . 36 LYS H . 18697 2 326 . 2 2 36 36 LYS HA H 1 4.294 0.02 . 1 . . . . 36 LYS HA . 18697 2 327 . 2 2 36 36 LYS HB2 H 1 1.912 0.02 . 2 . . . . 36 LYS HB2 . 18697 2 328 . 2 2 36 36 LYS HG2 H 1 1.544 0.02 . 2 . . . . 36 LYS HG2 . 18697 2 329 . 2 2 36 36 LYS HG3 H 1 1.426 0.02 . 2 . . . . 36 LYS HG3 . 18697 2 330 . 2 2 36 36 LYS HD2 H 1 1.715 0.02 . 2 . . . . 36 LYS HD2 . 18697 2 331 . 2 2 36 36 LYS HE2 H 1 3.007 0.02 . 2 . . . . 36 LYS HE2 . 18697 2 332 . 2 2 36 36 LYS C C 13 178.201 0.2 . 1 . . . . 36 LYS C . 18697 2 333 . 2 2 36 36 LYS CA C 13 58.171 0.2 . 1 . . . . 36 LYS CA . 18697 2 334 . 2 2 36 36 LYS CB C 13 32.734 0.2 . 1 . . . . 36 LYS CB . 18697 2 335 . 2 2 36 36 LYS CG C 13 24.964 0.2 . 1 . . . . 36 LYS CG . 18697 2 336 . 2 2 36 36 LYS CD C 13 29.378 0.2 . 1 . . . . 36 LYS CD . 18697 2 337 . 2 2 36 36 LYS N N 15 121.888 0.2 . 1 . . . . 36 LYS N . 18697 2 338 . 2 2 37 37 GLU H H 1 8.324 0.02 . 1 . . . . 37 GLU H . 18697 2 339 . 2 2 37 37 GLU HA H 1 4.171 0.02 . 1 . . . . 37 GLU HA . 18697 2 340 . 2 2 37 37 GLU HB2 H 1 2.06 0.02 . 2 . . . . 37 GLU HB2 . 18697 2 341 . 2 2 37 37 GLU HG2 H 1 2.38 0.02 . 2 . . . . 37 GLU HG2 . 18697 2 342 . 2 2 37 37 GLU HG3 H 1 2.285 0.02 . 2 . . . . 37 GLU HG3 . 18697 2 343 . 2 2 37 37 GLU C C 13 177.748 0.2 . 1 . . . . 37 GLU C . 18697 2 344 . 2 2 37 37 GLU CA C 13 57.908 0.2 . 1 . . . . 37 GLU CA . 18697 2 345 . 2 2 37 37 GLU CB C 13 29.944 0.2 . 1 . . . . 37 GLU CB . 18697 2 346 . 2 2 37 37 GLU CG C 13 36.394 0.2 . 1 . . . . 37 GLU CG . 18697 2 347 . 2 2 37 37 GLU N N 15 121.205 0.2 . 1 . . . . 37 GLU N . 18697 2 348 . 2 2 38 38 ALA H H 1 8.179 0.02 . 1 . . . . 38 ALA H . 18697 2 349 . 2 2 38 38 ALA HA H 1 4.239 0.02 . 1 . . . . 38 ALA HA . 18697 2 350 . 2 2 38 38 ALA HB1 H 1 1.467 0.02 . 1 . . . . 38 ALA HB . 18697 2 351 . 2 2 38 38 ALA HB2 H 1 1.467 0.02 . 1 . . . . 38 ALA HB . 18697 2 352 . 2 2 38 38 ALA HB3 H 1 1.467 0.02 . 1 . . . . 38 ALA HB . 18697 2 353 . 2 2 38 38 ALA C C 13 179.257 0.2 . 1 . . . . 38 ALA C . 18697 2 354 . 2 2 38 38 ALA CA C 13 53.902 0.2 . 1 . . . . 38 ALA CA . 18697 2 355 . 2 2 38 38 ALA CB C 13 18.685 0.2 . 1 . . . . 38 ALA CB . 18697 2 356 . 2 2 38 38 ALA N N 15 124.452 0.2 . 1 . . . . 38 ALA N . 18697 2 357 . 2 2 39 39 LYS H H 1 8.117 0.02 . 1 . . . . 39 LYS H . 18697 2 358 . 2 2 39 39 LYS HA H 1 4.239 0.02 . 1 . . . . 39 LYS HA . 18697 2 359 . 2 2 39 39 LYS HB2 H 1 1.873 0.02 . 2 . . . . 39 LYS HB2 . 18697 2 360 . 2 2 39 39 LYS HG2 H 1 1.522 0.02 . 2 . . . . 39 LYS HG2 . 18697 2 361 . 2 2 39 39 LYS C C 13 177.852 0.2 . 1 . . . . 39 LYS C . 18697 2 362 . 2 2 39 39 LYS CA C 13 57.404 0.2 . 1 . . . . 39 LYS CA . 18697 2 363 . 2 2 39 39 LYS CB C 13 32.653 0.2 . 1 . . . . 39 LYS CB . 18697 2 364 . 2 2 39 39 LYS CG C 13 24.992 0.2 . 1 . . . . 39 LYS CG . 18697 2 365 . 2 2 39 39 LYS N N 15 120.301 0.2 . 1 . . . . 39 LYS N . 18697 2 366 . 2 2 40 40 GLN H H 1 8.191 0.02 . 1 . . . . 40 GLN H . 18697 2 367 . 2 2 40 40 GLN HA H 1 4.228 0.02 . 1 . . . . 40 GLN HA . 18697 2 368 . 2 2 40 40 GLN HB2 H 1 2.13 0.02 . 2 . . . . 40 GLN HB2 . 18697 2 369 . 2 2 40 40 GLN HG2 H 1 2.447 0.02 . 2 . . . . 40 GLN HG2 . 18697 2 370 . 2 2 40 40 GLN C C 13 177.355 0.2 . 1 . . . . 40 GLN C . 18697 2 371 . 2 2 40 40 GLN CA C 13 56.952 0.2 . 1 . . . . 40 GLN CA . 18697 2 372 . 2 2 40 40 GLN CB C 13 29.011 0.2 . 1 . . . . 40 GLN CB . 18697 2 373 . 2 2 40 40 GLN CG C 13 33.955 0.2 . 1 . . . . 40 GLN CG . 18697 2 374 . 2 2 40 40 GLN N N 15 120.777 0.2 . 1 . . . . 40 GLN N . 18697 2 375 . 2 2 41 41 LYS H H 1 8.192 0.02 . 1 . . . . 41 LYS H . 18697 2 376 . 2 2 41 41 LYS HA H 1 4.207 0.02 . 1 . . . . 41 LYS HA . 18697 2 377 . 2 2 41 41 LYS HB2 H 1 1.871 0.02 . 2 . . . . 41 LYS HB2 . 18697 2 378 . 2 2 41 41 LYS HG2 H 1 1.534 0.02 . 2 . . . . 41 LYS HG2 . 18697 2 379 . 2 2 41 41 LYS HE2 H 1 2.989 0.02 . 2 . . . . 41 LYS HE2 . 18697 2 380 . 2 2 41 41 LYS C C 13 177.525 0.2 . 1 . . . . 41 LYS C . 18697 2 381 . 2 2 41 41 LYS CA C 13 57.799 0.2 . 1 . . . . 41 LYS CA . 18697 2 382 . 2 2 41 41 LYS CB C 13 32.842 0.2 . 1 . . . . 41 LYS CB . 18697 2 383 . 2 2 41 41 LYS CG C 13 24.972 0.2 . 1 . . . . 41 LYS CG . 18697 2 384 . 2 2 41 41 LYS CE C 13 42.261 0.2 . 1 . . . . 41 LYS CE . 18697 2 385 . 2 2 41 41 LYS N N 15 122.425 0.2 . 1 . . . . 41 LYS N . 18697 2 386 . 2 2 42 42 GLU H H 1 8.2 0.02 . 1 . . . . 42 GLU H . 18697 2 387 . 2 2 42 42 GLU HA H 1 4.212 0.02 . 1 . . . . 42 GLU HA . 18697 2 388 . 2 2 42 42 GLU HB2 H 1 2.08 0.02 . 2 . . . . 42 GLU HB2 . 18697 2 389 . 2 2 42 42 GLU HG2 H 1 2.271 0.02 . 2 . . . . 42 GLU HG2 . 18697 2 390 . 2 2 42 42 GLU C C 13 177.588 0.2 . 1 . . . . 42 GLU C . 18697 2 391 . 2 2 42 42 GLU CA C 13 57.693 0.2 . 1 . . . . 42 GLU CA . 18697 2 392 . 2 2 42 42 GLU CB C 13 30.037 0.2 . 1 . . . . 42 GLU CB . 18697 2 393 . 2 2 42 42 GLU CG C 13 36.25 0.2 . 1 . . . . 42 GLU CG . 18697 2 394 . 2 2 42 42 GLU N N 15 121.486 0.2 . 1 . . . . 42 GLU N . 18697 2 395 . 2 2 43 43 LEU H H 1 8.153 0.02 . 1 . . . . 43 LEU H . 18697 2 396 . 2 2 43 43 LEU HA H 1 4.308 0.02 . 1 . . . . 43 LEU HA . 18697 2 397 . 2 2 43 43 LEU HB2 H 1 1.715 0.02 . 2 . . . . 43 LEU HB2 . 18697 2 398 . 2 2 43 43 LEU HB3 H 1 1.614 0.02 . 2 . . . . 43 LEU HB3 . 18697 2 399 . 2 2 43 43 LEU HD11 H 1 0.901 0.02 . 2 . . . . 43 LEU HD1 . 18697 2 400 . 2 2 43 43 LEU HD12 H 1 0.901 0.02 . 2 . . . . 43 LEU HD1 . 18697 2 401 . 2 2 43 43 LEU HD13 H 1 0.901 0.02 . 2 . . . . 43 LEU HD1 . 18697 2 402 . 2 2 43 43 LEU C C 13 178.351 0.2 . 1 . . . . 43 LEU C . 18697 2 403 . 2 2 43 43 LEU CA C 13 56.202 0.2 . 1 . . . . 43 LEU CA . 18697 2 404 . 2 2 43 43 LEU CB C 13 42.254 0.2 . 1 . . . . 43 LEU CB . 18697 2 405 . 2 2 43 43 LEU CG C 13 26.962 0.2 . 1 . . . . 43 LEU CG . 18697 2 406 . 2 2 43 43 LEU CD1 C 13 25.014 0.2 . 1 . . . . 43 LEU CD1 . 18697 2 407 . 2 2 43 43 LEU CD2 C 13 23.519 0.2 . 1 . . . . 43 LEU CD2 . 18697 2 408 . 2 2 43 43 LEU N N 15 122.213 0.2 . 1 . . . . 43 LEU N . 18697 2 409 . 2 2 44 44 SER H H 1 8.247 0.02 . 1 . . . . 44 SER H . 18697 2 410 . 2 2 44 44 SER HA H 1 4.397 0.02 . 1 . . . . 44 SER HA . 18697 2 411 . 2 2 44 44 SER HB2 H 1 3.957 0.02 . 2 . . . . 44 SER HB2 . 18697 2 412 . 2 2 44 44 SER C C 13 175.513 0.2 . 1 . . . . 44 SER C . 18697 2 413 . 2 2 44 44 SER CA C 13 59.361 0.2 . 1 . . . . 44 SER CA . 18697 2 414 . 2 2 44 44 SER CB C 13 63.685 0.2 . 1 . . . . 44 SER CB . 18697 2 415 . 2 2 44 44 SER N N 15 116.578 0.2 . 1 . . . . 44 SER N . 18697 2 416 . 2 2 45 45 GLU H H 1 8.311 0.02 . 1 . . . . 45 GLU H . 18697 2 417 . 2 2 45 45 GLU HA H 1 4.234 0.02 . 1 . . . . 45 GLU HA . 18697 2 418 . 2 2 45 45 GLU HB2 H 1 2.071 0.02 . 2 . . . . 45 GLU HB2 . 18697 2 419 . 2 2 45 45 GLU HG2 H 1 2.378 0.02 . 2 . . . . 45 GLU HG2 . 18697 2 420 . 2 2 45 45 GLU HG3 H 1 2.273 0.02 . 2 . . . . 45 GLU HG3 . 18697 2 421 . 2 2 45 45 GLU C C 13 177.648 0.2 . 1 . . . . 45 GLU C . 18697 2 422 . 2 2 45 45 GLU CA C 13 57.729 0.2 . 1 . . . . 45 GLU CA . 18697 2 423 . 2 2 45 45 GLU CB C 13 29.912 0.2 . 1 . . . . 45 GLU CB . 18697 2 424 . 2 2 45 45 GLU CG C 13 36.301 0.2 . 1 . . . . 45 GLU CG . 18697 2 425 . 2 2 45 45 GLU N N 15 122.744 0.2 . 1 . . . . 45 GLU N . 18697 2 426 . 2 2 46 46 LYS H H 1 8.133 0.02 . 1 . . . . 46 LYS H . 18697 2 427 . 2 2 46 46 LYS HA H 1 4.246 0.02 . 1 . . . . 46 LYS HA . 18697 2 428 . 2 2 46 46 LYS HB2 H 1 1.856 0.02 . 2 . . . . 46 LYS HB2 . 18697 2 429 . 2 2 46 46 LYS HG2 H 1 1.507 0.02 . 2 . . . . 46 LYS HG2 . 18697 2 430 . 2 2 46 46 LYS HD2 H 1 1.724 0.02 . 2 . . . . 46 LYS HD2 . 18697 2 431 . 2 2 46 46 LYS C C 13 177.376 0.2 . 1 . . . . 46 LYS C . 18697 2 432 . 2 2 46 46 LYS CA C 13 57.378 0.2 . 1 . . . . 46 LYS CA . 18697 2 433 . 2 2 46 46 LYS CB C 13 32.82 0.2 . 1 . . . . 46 LYS CB . 18697 2 434 . 2 2 46 46 LYS CG C 13 25.014 0.2 . 1 . . . . 46 LYS CG . 18697 2 435 . 2 2 46 46 LYS N N 15 121.624 0.2 . 1 . . . . 46 LYS N . 18697 2 436 . 2 2 47 47 GLN H H 1 8.205 0.02 . 1 . . . . 47 GLN H . 18697 2 437 . 2 2 47 47 GLN HA H 1 4.277 0.02 . 1 . . . . 47 GLN HA . 18697 2 438 . 2 2 47 47 GLN HB2 H 1 2.109 0.02 . 2 . . . . 47 GLN HB2 . 18697 2 439 . 2 2 47 47 GLN HG2 H 1 2.403 0.02 . 2 . . . . 47 GLN HG2 . 18697 2 440 . 2 2 47 47 GLN C C 13 176.846 0.2 . 1 . . . . 47 GLN C . 18697 2 441 . 2 2 47 47 GLN CA C 13 56.585 0.2 . 1 . . . . 47 GLN CA . 18697 2 442 . 2 2 47 47 GLN CB C 13 29.157 0.2 . 1 . . . . 47 GLN CB . 18697 2 443 . 2 2 47 47 GLN CG C 13 33.978 0.2 . 1 . . . . 47 GLN CG . 18697 2 444 . 2 2 47 47 GLN N N 15 120.94 0.2 . 1 . . . . 47 GLN N . 18697 2 445 . 2 2 48 48 LEU H H 1 8.217 0.02 . 1 . . . . 48 LEU H . 18697 2 446 . 2 2 48 48 LEU HA H 1 4.334 0.02 . 1 . . . . 48 LEU HA . 18697 2 447 . 2 2 48 48 LEU HB2 H 1 1.708 0.02 . 2 . . . . 48 LEU HB2 . 18697 2 448 . 2 2 48 48 LEU HB3 H 1 1.624 0.02 . 2 . . . . 48 LEU HB3 . 18697 2 449 . 2 2 48 48 LEU HD11 H 1 0.895 0.02 . 2 . . . . 48 LEU HD1 . 18697 2 450 . 2 2 48 48 LEU HD12 H 1 0.895 0.02 . 2 . . . . 48 LEU HD1 . 18697 2 451 . 2 2 48 48 LEU HD13 H 1 0.895 0.02 . 2 . . . . 48 LEU HD1 . 18697 2 452 . 2 2 48 48 LEU C C 13 177.77 0.2 . 1 . . . . 48 LEU C . 18697 2 453 . 2 2 48 48 LEU CA C 13 55.927 0.2 . 1 . . . . 48 LEU CA . 18697 2 454 . 2 2 48 48 LEU CB C 13 42.312 0.2 . 1 . . . . 48 LEU CB . 18697 2 455 . 2 2 48 48 LEU CG C 13 26.923 0.2 . 1 . . . . 48 LEU CG . 18697 2 456 . 2 2 48 48 LEU CD1 C 13 25.011 0.2 . 2 . . . . 48 LEU CD1 . 18697 2 457 . 2 2 48 48 LEU CD2 C 13 23.499 0.2 . 2 . . . . 48 LEU CD2 . 18697 2 458 . 2 2 48 48 LEU N N 15 123.202 0.2 . 1 . . . . 48 LEU N . 18697 2 459 . 2 2 49 49 SER H H 1 8.205 0.02 . 1 . . . . 49 SER H . 18697 2 460 . 2 2 49 49 SER HA H 1 4.425 0.02 . 1 . . . . 49 SER HA . 18697 2 461 . 2 2 49 49 SER HB2 H 1 3.911 0.02 . 2 . . . . 49 SER HB2 . 18697 2 462 . 2 2 49 49 SER C C 13 174.96 0.2 . 1 . . . . 49 SER C . 18697 2 463 . 2 2 49 49 SER CA C 13 58.866 0.2 . 1 . . . . 49 SER CA . 18697 2 464 . 2 2 49 49 SER CB C 13 63.686 0.2 . 1 . . . . 49 SER CB . 18697 2 465 . 2 2 49 49 SER N N 15 116.525 0.2 . 1 . . . . 49 SER N . 18697 2 466 . 2 2 50 50 GLN H H 1 8.273 0.02 . 1 . . . . 50 GLN H . 18697 2 467 . 2 2 50 50 GLN HA H 1 4.348 0.02 . 1 . . . . 50 GLN HA . 18697 2 468 . 2 2 50 50 GLN HB2 H 1 2.158 0.02 . 2 . . . . 50 GLN HB2 . 18697 2 469 . 2 2 50 50 GLN HB3 H 1 2.019 0.02 . 2 . . . . 50 GLN HB3 . 18697 2 470 . 2 2 50 50 GLN HG2 H 1 2.377 0.02 . 2 . . . . 50 GLN HG2 . 18697 2 471 . 2 2 50 50 GLN C C 13 176.282 0.2 . 1 . . . . 50 GLN C . 18697 2 472 . 2 2 50 50 GLN CA C 13 56.28 0.2 . 1 . . . . 50 GLN CA . 18697 2 473 . 2 2 50 50 GLN CB C 13 29.38 0.2 . 1 . . . . 50 GLN CB . 18697 2 474 . 2 2 50 50 GLN CG C 13 33.942 0.2 . 1 . . . . 50 GLN CG . 18697 2 475 . 2 2 50 50 GLN N N 15 122.503 0.2 . 1 . . . . 50 GLN N . 18697 2 476 . 2 2 51 51 ALA H H 1 8.249 0.02 . 1 . . . . 51 ALA H . 18697 2 477 . 2 2 51 51 ALA HA H 1 4.355 0.02 . 1 . . . . 51 ALA HA . 18697 2 478 . 2 2 51 51 ALA HB1 H 1 1.436 0.02 . 1 . . . . 51 ALA HB . 18697 2 479 . 2 2 51 51 ALA HB2 H 1 1.436 0.02 . 1 . . . . 51 ALA HB . 18697 2 480 . 2 2 51 51 ALA HB3 H 1 1.436 0.02 . 1 . . . . 51 ALA HB . 18697 2 481 . 2 2 51 51 ALA C C 13 178.239 0.2 . 1 . . . . 51 ALA C . 18697 2 482 . 2 2 51 51 ALA CA C 13 53.162 0.2 . 1 . . . . 51 ALA CA . 18697 2 483 . 2 2 51 51 ALA CB C 13 19.128 0.2 . 1 . . . . 51 ALA CB . 18697 2 484 . 2 2 51 51 ALA N N 15 125.228 0.2 . 1 . . . . 51 ALA N . 18697 2 485 . 2 2 52 52 THR H H 1 8.06 0.02 . 1 . . . . 52 THR H . 18697 2 486 . 2 2 52 52 THR HA H 1 4.335 0.02 . 1 . . . . 52 THR HA . 18697 2 487 . 2 2 52 52 THR HB H 1 4.251 0.02 . 1 . . . . 52 THR HB . 18697 2 488 . 2 2 52 52 THR HG21 H 1 1.211 0.02 . 1 . . . . 52 THR HG2 . 18697 2 489 . 2 2 52 52 THR HG22 H 1 1.211 0.02 . 1 . . . . 52 THR HG2 . 18697 2 490 . 2 2 52 52 THR HG23 H 1 1.211 0.02 . 1 . . . . 52 THR HG2 . 18697 2 491 . 2 2 52 52 THR C C 13 174.803 0.2 . 1 . . . . 52 THR C . 18697 2 492 . 2 2 52 52 THR CA C 13 62.216 0.2 . 1 . . . . 52 THR CA . 18697 2 493 . 2 2 52 52 THR CB C 13 69.769 0.2 . 1 . . . . 52 THR CB . 18697 2 494 . 2 2 52 52 THR N N 15 113.847 0.2 . 1 . . . . 52 THR N . 18697 2 495 . 2 2 53 53 ALA H H 1 8.213 0.02 . 1 . . . . 53 ALA H . 18697 2 496 . 2 2 53 53 ALA CA C 13 52.93 0.2 . 1 . . . . 53 ALA CA . 18697 2 497 . 2 2 53 53 ALA CB C 13 19.256 0.2 . 1 . . . . 53 ALA CB . 18697 2 498 . 2 2 53 53 ALA N N 15 126.944 0.2 . 1 . . . . 53 ALA N . 18697 2 499 . 2 2 54 54 ALA H H 1 8.229 0.02 . 1 . . . . 54 ALA H . 18697 2 500 . 2 2 54 54 ALA HA H 1 4.285 0.02 . 1 . . . . 54 ALA HA . 18697 2 501 . 2 2 54 54 ALA HB1 H 1 1.408 0.02 . 1 . . . . 54 ALA HB . 18697 2 502 . 2 2 54 54 ALA HB2 H 1 1.408 0.02 . 1 . . . . 54 ALA HB . 18697 2 503 . 2 2 54 54 ALA HB3 H 1 1.408 0.02 . 1 . . . . 54 ALA HB . 18697 2 504 . 2 2 54 54 ALA C C 13 177.825 0.2 . 1 . . . . 54 ALA C . 18697 2 505 . 2 2 54 54 ALA CA C 13 52.844 0.2 . 1 . . . . 54 ALA CA . 18697 2 506 . 2 2 54 54 ALA CB C 13 19.08 0.2 . 1 . . . . 54 ALA CB . 18697 2 507 . 2 2 54 54 ALA N N 15 124.193 0.2 . 1 . . . . 54 ALA N . 18697 2 508 . 2 2 55 55 ALA H H 1 8.173 0.02 . 1 . . . . 55 ALA H . 18697 2 509 . 2 2 55 55 ALA HA H 1 4.356 0.02 . 1 . . . . 55 ALA HA . 18697 2 510 . 2 2 55 55 ALA HB1 H 1 1.43 0.02 . 1 . . . . 55 ALA HB . 18697 2 511 . 2 2 55 55 ALA HB2 H 1 1.43 0.02 . 1 . . . . 55 ALA HB . 18697 2 512 . 2 2 55 55 ALA HB3 H 1 1.43 0.02 . 1 . . . . 55 ALA HB . 18697 2 513 . 2 2 55 55 ALA C C 13 178.163 0.2 . 1 . . . . 55 ALA C . 18697 2 514 . 2 2 55 55 ALA CA C 13 52.732 0.2 . 1 . . . . 55 ALA CA . 18697 2 515 . 2 2 55 55 ALA CB C 13 19.236 0.2 . 1 . . . . 55 ALA CB . 18697 2 516 . 2 2 55 55 ALA N N 15 123.463 0.2 . 1 . . . . 55 ALA N . 18697 2 517 . 2 2 56 56 THR H H 1 8.038 0.02 . 1 . . . . 56 THR H . 18697 2 518 . 2 2 56 56 THR HA H 1 4.29 0.02 . 1 . . . . 56 THR HA . 18697 2 519 . 2 2 56 56 THR HB H 1 4.198 0.02 . 1 . . . . 56 THR HB . 18697 2 520 . 2 2 56 56 THR HG21 H 1 1.271 0.02 . 1 . . . . 56 THR HG2 . 18697 2 521 . 2 2 56 56 THR HG22 H 1 1.271 0.02 . 1 . . . . 56 THR HG2 . 18697 2 522 . 2 2 56 56 THR HG23 H 1 1.271 0.02 . 1 . . . . 56 THR HG2 . 18697 2 523 . 2 2 56 56 THR C C 13 174.333 0.2 . 1 . . . . 56 THR C . 18697 2 524 . 2 2 56 56 THR CA C 13 61.882 0.2 . 1 . . . . 56 THR CA . 18697 2 525 . 2 2 56 56 THR CB C 13 69.768 0.2 . 1 . . . . 56 THR CB . 18697 2 526 . 2 2 56 56 THR N N 15 113.129 0.2 . 1 . . . . 56 THR N . 18697 2 527 . 2 2 57 57 ASN H H 1 8.329 0.02 . 1 . . . . 57 ASN H . 18697 2 528 . 2 2 57 57 ASN HA H 1 4.711 0.02 . 1 . . . . 57 ASN HA . 18697 2 529 . 2 2 57 57 ASN HB2 H 1 2.793 0.02 . 2 . . . . 57 ASN HB2 . 18697 2 530 . 2 2 57 57 ASN HD21 H 1 7.595 0.02 . 1 . . . . 57 ASN HD21 . 18697 2 531 . 2 2 57 57 ASN HD22 H 1 6.908 0.02 . 1 . . . . 57 ASN HD22 . 18697 2 532 . 2 2 57 57 ASN C C 13 174.9 0.2 . 1 . . . . 57 ASN C . 18697 2 533 . 2 2 57 57 ASN CA C 13 53.281 0.2 . 1 . . . . 57 ASN CA . 18697 2 534 . 2 2 57 57 ASN CB C 13 38.919 0.2 . 1 . . . . 57 ASN CB . 18697 2 535 . 2 2 57 57 ASN N N 15 121.288 0.2 . 1 . . . . 57 ASN N . 18697 2 536 . 2 2 57 57 ASN ND2 N 15 113.509 0.2 . 1 . . . . 57 ASN ND2 . 18697 2 537 . 2 2 58 58 HIS H H 1 8.478 0.02 . 1 . . . . 58 HIS H . 18697 2 538 . 2 2 58 58 HIS HA H 1 3.991 0.02 . 1 . . . . 58 HIS HA . 18697 2 539 . 2 2 58 58 HIS HB2 H 1 3.312 0.02 . 2 . . . . 58 HIS HB2 . 18697 2 540 . 2 2 58 58 HIS HB3 H 1 3.171 0.02 . 2 . . . . 58 HIS HB3 . 18697 2 541 . 2 2 58 58 HIS C C 13 174.808 0.2 . 1 . . . . 58 HIS C . 18697 2 542 . 2 2 58 58 HIS CA C 13 55.601 0.2 . 1 . . . . 58 HIS CA . 18697 2 543 . 2 2 58 58 HIS CB C 13 29.412 0.2 . 1 . . . . 58 HIS CB . 18697 2 544 . 2 2 58 58 HIS N N 15 120.054 0.2 . 1 . . . . 58 HIS N . 18697 2 545 . 2 2 59 59 THR H H 1 8.32 0.02 . 1 . . . . 59 THR H . 18697 2 546 . 2 2 59 59 THR HA H 1 4.421 0.02 . 1 . . . . 59 THR HA . 18697 2 547 . 2 2 59 59 THR HB H 1 4.266 0.02 . 1 . . . . 59 THR HB . 18697 2 548 . 2 2 59 59 THR HG21 H 1 1.194 0.02 . 1 . . . . 59 THR HG2 . 18697 2 549 . 2 2 59 59 THR HG22 H 1 1.194 0.02 . 1 . . . . 59 THR HG2 . 18697 2 550 . 2 2 59 59 THR HG23 H 1 1.194 0.02 . 1 . . . . 59 THR HG2 . 18697 2 551 . 2 2 59 59 THR C C 13 174.735 0.2 . 1 . . . . 59 THR C . 18697 2 552 . 2 2 59 59 THR CA C 13 62.197 0.2 . 1 . . . . 59 THR CA . 18697 2 553 . 2 2 59 59 THR CB C 13 69.875 0.2 . 1 . . . . 59 THR CB . 18697 2 554 . 2 2 59 59 THR N N 15 116.322 0.2 . 1 . . . . 59 THR N . 18697 2 555 . 2 2 60 60 THR H H 1 8.18 0.02 . 1 . . . . 60 THR H . 18697 2 556 . 2 2 60 60 THR HA H 1 4.408 0.02 . 1 . . . . 60 THR HA . 18697 2 557 . 2 2 60 60 THR HB H 1 4.285 0.02 . 1 . . . . 60 THR HB . 18697 2 558 . 2 2 60 60 THR HG21 H 1 1.175 0.02 . 1 . . . . 60 THR HG2 . 18697 2 559 . 2 2 60 60 THR HG22 H 1 1.175 0.02 . 1 . . . . 60 THR HG2 . 18697 2 560 . 2 2 60 60 THR HG23 H 1 1.175 0.02 . 1 . . . . 60 THR HG2 . 18697 2 561 . 2 2 60 60 THR C C 13 174.373 0.2 . 1 . . . . 60 THR C . 18697 2 562 . 2 2 60 60 THR CA C 13 61.699 0.2 . 1 . . . . 60 THR CA . 18697 2 563 . 2 2 60 60 THR CB C 13 69.828 0.2 . 1 . . . . 60 THR CB . 18697 2 564 . 2 2 60 60 THR N N 15 115.569 0.2 . 1 . . . . 60 THR N . 18697 2 565 . 2 2 61 61 ASP H H 1 8.336 0.02 . 1 . . . . 61 ASP H . 18697 2 566 . 2 2 61 61 ASP HA H 1 4.635 0.02 . 1 . . . . 61 ASP HA . 18697 2 567 . 2 2 61 61 ASP HB2 H 1 2.739 0.02 . 2 . . . . 61 ASP HB2 . 18697 2 568 . 2 2 61 61 ASP HB3 H 1 2.658 0.02 . 2 . . . . 61 ASP HB3 . 18697 2 569 . 2 2 61 61 ASP C C 13 176.104 0.2 . 1 . . . . 61 ASP C . 18697 2 570 . 2 2 61 61 ASP CA C 13 54.529 0.2 . 1 . . . . 61 ASP CA . 18697 2 571 . 2 2 61 61 ASP CB C 13 41.328 0.2 . 1 . . . . 61 ASP CB . 18697 2 572 . 2 2 61 61 ASP N N 15 123.355 0.2 . 1 . . . . 61 ASP N . 18697 2 573 . 2 2 62 62 ASP H H 1 7.995 0.02 . 1 . . . . 62 ASP H . 18697 2 574 . 2 2 62 62 ASP HA H 1 4.473 0.02 . 1 . . . . 62 ASP HA . 18697 2 575 . 2 2 62 62 ASP HB2 H 1 2.799 0.02 . 2 . . . . 62 ASP HB2 . 18697 2 576 . 2 2 62 62 ASP HB3 H 1 2.7 0.02 . 2 . . . . 62 ASP HB3 . 18697 2 577 . 2 2 62 62 ASP C C 13 176.175 0.2 . 1 . . . . 62 ASP C . 18697 2 578 . 2 2 62 62 ASP CA C 13 41.113 0.2 . 1 . . . . 62 ASP CA . 18697 2 579 . 2 2 62 62 ASP CB C 13 54.893 0.2 . 1 . . . . 62 ASP CB . 18697 2 580 . 2 2 62 62 ASP N N 15 124.555 0.2 . 1 . . . . 62 ASP N . 18697 2 581 . 2 2 63 63 GLY H H 1 8.383 0.02 . 1 . . . . 63 GLY H . 18697 2 582 . 2 2 63 63 GLY HA2 H 1 3.932 0.02 . 2 . . . . 63 GLY HA2 . 18697 2 583 . 2 2 63 63 GLY C C 13 173.979 0.2 . 1 . . . . 63 GLY C . 18697 2 584 . 2 2 63 63 GLY CA C 13 45.563 0.2 . 1 . . . . 63 GLY CA . 18697 2 585 . 2 2 63 63 GLY N N 15 109.663 0.2 . 1 . . . . 63 GLY N . 18697 2 586 . 2 2 64 64 VAL H H 1 8.087 0.02 . 1 . . . . 64 VAL H . 18697 2 587 . 2 2 64 64 VAL HA H 1 4.128 0.02 . 1 . . . . 64 VAL HA . 18697 2 588 . 2 2 64 64 VAL HB H 1 2.04 0.02 . 1 . . . . 64 VAL HB . 18697 2 589 . 2 2 64 64 VAL HG11 H 1 0.9 0.02 . 2 . . . . 64 VAL HG1 . 18697 2 590 . 2 2 64 64 VAL HG12 H 1 0.9 0.02 . 2 . . . . 64 VAL HG1 . 18697 2 591 . 2 2 64 64 VAL HG13 H 1 0.9 0.02 . 2 . . . . 64 VAL HG1 . 18697 2 592 . 2 2 64 64 VAL C C 13 176.234 0.2 . 1 . . . . 64 VAL C . 18697 2 593 . 2 2 64 64 VAL CA C 13 62.118 0.2 . 1 . . . . 64 VAL CA . 18697 2 594 . 2 2 64 64 VAL CB C 13 32.822 0.2 . 1 . . . . 64 VAL CB . 18697 2 595 . 2 2 64 64 VAL CG1 C 13 20.936 0.2 . 2 . . . . 64 VAL CG1 . 18697 2 596 . 2 2 64 64 VAL N N 15 120.001 0.2 . 1 . . . . 64 VAL N . 18697 2 597 . 2 2 65 65 LEU H H 1 8.386 0.006 . 1 . . . . 65 LEU H . 18697 2 598 . 2 2 65 65 LEU HA H 1 4.615 0.02 . 1 . . . . 65 LEU HA . 18697 2 599 . 2 2 65 65 LEU HB2 H 1 1.579 0.02 . 2 . . . . 65 LEU HB2 . 18697 2 600 . 2 2 65 65 LEU HD11 H 1 0.874 0.02 . 2 . . . . 65 LEU HD1 . 18697 2 601 . 2 2 65 65 LEU HD12 H 1 0.874 0.02 . 2 . . . . 65 LEU HD1 . 18697 2 602 . 2 2 65 65 LEU HD13 H 1 0.874 0.02 . 2 . . . . 65 LEU HD1 . 18697 2 603 . 2 2 65 65 LEU CA C 13 53.053 0.2 . 1 . . . . 65 LEU CA . 18697 2 604 . 2 2 65 65 LEU CB C 13 41.771 0.2 . 1 . . . . 65 LEU CB . 18697 2 605 . 2 2 65 65 LEU N N 15 128.285 0.2 . 1 . . . . 65 LEU N . 18697 2 606 . 2 2 66 66 PRO HA H 1 4.417 0.02 . 1 . . . . 66 PRO HA . 18697 2 607 . 2 2 66 66 PRO HB2 H 1 2.279 0.02 . 2 . . . . 66 PRO HB2 . 18697 2 608 . 2 2 66 66 PRO HB3 H 1 1.895 0.02 . 2 . . . . 66 PRO HB3 . 18697 2 609 . 2 2 66 66 PRO HG2 H 1 2.015 0.02 . 2 . . . . 66 PRO HG2 . 18697 2 610 . 2 2 66 66 PRO HD2 H 1 3.846 0.02 . 2 . . . . 66 PRO HD2 . 18697 2 611 . 2 2 66 66 PRO HD3 H 1 3.658 0.02 . 2 . . . . 66 PRO HD3 . 18697 2 612 . 2 2 66 66 PRO C C 13 177.055 0.2 . 1 . . . . 66 PRO C . 18697 2 613 . 2 2 66 66 PRO CA C 13 63.107 0.2 . 1 . . . . 66 PRO CA . 18697 2 614 . 2 2 66 66 PRO CB C 13 32.081 0.2 . 1 . . . . 66 PRO CB . 18697 2 615 . 2 2 66 66 PRO CG C 13 27.473 0.2 . 1 . . . . 66 PRO CG . 18697 2 616 . 2 2 66 66 PRO CD C 13 50.718 0.2 . 1 . . . . 66 PRO CD . 18697 2 617 . 2 2 67 67 GLU H H 1 8.564 0.02 . 1 . . . . 67 GLU H . 18697 2 618 . 2 2 67 67 GLU HA H 1 4.335 0.02 . 1 . . . . 67 GLU HA . 18697 2 619 . 2 2 67 67 GLU HB2 H 1 2.063 0.02 . 2 . . . . 67 GLU HB2 . 18697 2 620 . 2 2 67 67 GLU HB3 H 1 1.973 0.02 . 2 . . . . 67 GLU HB3 . 18697 2 621 . 2 2 67 67 GLU HG2 H 1 2.285 0.02 . 2 . . . . 67 GLU HG2 . 18697 2 622 . 2 2 67 67 GLU C C 13 177.012 0.2 . 1 . . . . 67 GLU C . 18697 2 623 . 2 2 67 67 GLU CA C 13 56.705 0.2 . 1 . . . . 67 GLU CA . 18697 2 624 . 2 2 67 67 GLU CB C 13 30.167 0.2 . 1 . . . . 67 GLU CB . 18697 2 625 . 2 2 67 67 GLU CG C 13 36.239 0.2 . 1 . . . . 67 GLU CG . 18697 2 626 . 2 2 67 67 GLU N N 15 121.724 0.2 . 1 . . . . 67 GLU N . 18697 2 627 . 2 2 68 68 THR H H 1 8.206 0.02 . 1 . . . . 68 THR H . 18697 2 628 . 2 2 68 68 THR HA H 1 4.378 0.02 . 1 . . . . 68 THR HA . 18697 2 629 . 2 2 68 68 THR HB H 1 4.275 0.02 . 1 . . . . 68 THR HB . 18697 2 630 . 2 2 68 68 THR HG21 H 1 1.18 0.02 . 1 . . . . 68 THR HG2 . 18697 2 631 . 2 2 68 68 THR HG22 H 1 1.18 0.02 . 1 . . . . 68 THR HG2 . 18697 2 632 . 2 2 68 68 THR HG23 H 1 1.18 0.02 . 1 . . . . 68 THR HG2 . 18697 2 633 . 2 2 68 68 THR C C 13 175.392 0.2 . 1 . . . . 68 THR C . 18697 2 634 . 2 2 68 68 THR CA C 13 61.921 0.2 . 1 . . . . 68 THR CA . 18697 2 635 . 2 2 68 68 THR CB C 13 69.921 0.2 . 1 . . . . 68 THR CB . 18697 2 636 . 2 2 68 68 THR CG2 C 13 21.653 0.2 . 1 . . . . 68 THR CG2 . 18697 2 637 . 2 2 68 68 THR N N 15 115.293 0.2 . 1 . . . . 68 THR N . 18697 2 638 . 2 2 69 69 GLY H H 1 8.491 0.02 . 1 . . . . 69 GLY H . 18697 2 639 . 2 2 69 69 GLY HA2 H 1 3.978 0.02 . 2 . . . . 69 GLY HA2 . 18697 2 640 . 2 2 69 69 GLY C C 13 174.732 0.2 . 1 . . . . 69 GLY C . 18697 2 641 . 2 2 69 69 GLY CA C 13 45.514 0.2 . 1 . . . . 69 GLY CA . 18697 2 642 . 2 2 69 69 GLY N N 15 111.786 0.2 . 1 . . . . 69 GLY N . 18697 2 643 . 2 2 70 70 GLY H H 1 8.271 0.02 . 1 . . . . 70 GLY H . 18697 2 644 . 2 2 70 70 GLY HA2 H 1 3.857 0.02 . 2 . . . . 70 GLY HA2 . 18697 2 645 . 2 2 70 70 GLY C C 13 174.008 0.2 . 1 . . . . 70 GLY C . 18697 2 646 . 2 2 70 70 GLY CA C 13 45.273 0.2 . 1 . . . . 70 GLY CA . 18697 2 647 . 2 2 70 70 GLY N N 15 108.915 0.2 . 1 . . . . 70 GLY N . 18697 2 648 . 2 2 71 71 HIS H H 1 8.298 0.02 . 1 . . . . 71 HIS H . 18697 2 649 . 2 2 71 71 HIS CA C 13 55.59 0.2 . 1 . . . . 71 HIS CA . 18697 2 650 . 2 2 71 71 HIS CB C 13 29.528 0.2 . 1 . . . . 71 HIS CB . 18697 2 651 . 2 2 71 71 HIS N N 15 118.713 0.2 . 1 . . . . 71 HIS N . 18697 2 652 . 2 2 75 75 HIS C C 13 173.824 0.2 . 1 . . . . 75 HIS C . 18697 2 653 . 2 2 75 75 HIS CA C 13 55.666 0.2 . 1 . . . . 75 HIS CA . 18697 2 654 . 2 2 75 75 HIS CB C 13 29.696 0.2 . 1 . . . . 75 HIS CB . 18697 2 655 . 2 2 76 76 HIS H H 1 8.287 0.02 . 1 . . . . 76 HIS H . 18697 2 656 . 2 2 76 76 HIS CA C 13 57.183 0.2 . 1 . . . . 76 HIS CA . 18697 2 657 . 2 2 76 76 HIS CB C 13 29.936 0.2 . 1 . . . . 76 HIS CB . 18697 2 658 . 2 2 76 76 HIS N N 15 126.01 0.2 . 1 . . . . 76 HIS N . 18697 2 stop_ save_