data_11472 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11472 _Entry.Title ; Complex structure of WWE in RNF146 with ATP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-31 _Entry.Accession_date 2012-02-01 _Entry.Last_release_date 2013-03-04 _Entry.Original_release_date 2013-03-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _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 Fahu He . . . 11472 2 Yutaka Muto . . . 11472 3 Makoto Inoue . . . 11472 4 Takanori Kigawa . . . 11472 5 Mikako Shirouzu . . . 11472 6 Takaho Terada . . . 11472 7 Shigeyuki Yokoyama . . . 11472 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'RIKEN Structural Genomics/Proteomics Initiative' . 11472 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 11472 RNF146 . 11472 'WWE domain' . 11472 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11472 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 452 11472 '15N chemical shifts' 105 11472 '1H chemical shifts' 713 11472 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-03-04 2012-01-31 original author . 11472 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UJR 'free state structure' 11472 PDB 2RSF 'BMRB Entry Tracking System' 11472 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11472 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Complex structure of WWE domain in RNF146 with ATP' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Fahu He . . . 11472 1 2 Makoto Inoue . . . 11472 1 3 Takanori Kigawa . . . 11472 1 4 Mikako Inoue . . . 11472 1 5 Takaho Terada . . . 11472 1 6 Yutaka Muto . . . 11472 1 7 Shigeyuki Yokoyama . . . 11472 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11472 _Assembly.ID 1 _Assembly.Name 'WWE domain in RNF146 with ATP' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A . yes native no no . . . 11472 1 2 ADENOSINE-5'-TRIPHOSPHATE 2 $ATP B . yes native no no . . . 11472 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11472 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PSSGSSGFLDKPTLLSPEEL KAASRGNGEYAWYYEGRNGW WQYDERTSRELEDAFSKGKK NTEMLIAGFLYVADLENMVQ YRRNEHGRRRKIKRDIIDIP KKGVSGPSSG ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'WWE domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12567.119 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UJR . "Solution Structure Of Wwe Domain In Bab28015" . . . . . 100.00 110 100.00 100.00 2.99e-73 . . . . 11472 1 2 no PDB 2RSF . "Complex Structure Of Wwe In Rnf146 With Atp" . . . . . 100.00 110 100.00 100.00 2.99e-73 . . . . 11472 1 3 no PDB 4QPL . "Crystal Structure Of Rnf146(ring-wwe)/ubch5a/iso-adpr Complex" . . . . . 90.00 155 98.99 100.00 3.37e-65 . . . . 11472 1 4 no DBJ BAB28015 . "unnamed protein product [Mus musculus]" . . . . . 90.00 359 98.99 100.00 2.06e-62 . . . . 11472 1 5 no DBJ BAB55108 . "unnamed protein product [Homo sapiens]" . . . . . 90.00 358 98.99 100.00 4.79e-62 . . . . 11472 1 6 no DBJ BAB55196 . "unnamed protein product [Homo sapiens]" . . . . . 90.00 359 98.99 100.00 2.01e-62 . . . . 11472 1 7 no DBJ BAB55359 . "unnamed protein product [Homo sapiens]" . . . . . 90.00 358 98.99 100.00 2.26e-62 . . . . 11472 1 8 no DBJ BAE31549 . "unnamed protein product [Mus musculus]" . . . . . 90.00 359 98.99 100.00 2.08e-62 . . . . 11472 1 9 no EMBL CAB66763 . "hypothetical protein [Homo sapiens]" . . . . . 90.00 358 98.99 100.00 2.23e-62 . . . . 11472 1 10 no EMBL CAC85986 . "dactylidin [Homo sapiens]" . . . . . 90.00 358 98.99 100.00 2.23e-62 . . . . 11472 1 11 no EMBL CAG38545 . "RNF146 [Homo sapiens]" . . . . . 90.00 358 96.97 98.99 5.54e-61 . . . . 11472 1 12 no EMBL CAH89794 . "hypothetical protein [Pongo abelii]" . . . . . 90.00 358 97.98 98.99 3.00e-61 . . . . 11472 1 13 no EMBL CAH90287 . "hypothetical protein [Pongo abelii]" . . . . . 90.00 357 98.99 100.00 2.17e-62 . . . . 11472 1 14 no GB AAH08235 . "Ring finger protein 146 [Homo sapiens]" . . . . . 90.00 358 98.99 100.00 2.23e-62 . . . . 11472 1 15 no GB AAH50795 . "Ring finger protein 146 [Mus musculus]" . . . . . 90.00 359 98.99 100.00 2.06e-62 . . . . 11472 1 16 no GB AAH83675 . "Ring finger protein 146 [Rattus norvegicus]" . . . . . 90.00 352 97.98 98.99 2.97e-62 . . . . 11472 1 17 no GB AAI02140 . "Ring finger protein 146 [Bos taurus]" . . . . . 90.00 347 97.98 100.00 7.09e-62 . . . . 11472 1 18 no GB AIC52443 . "RNF146, partial [synthetic construct]" . . . . . 90.00 358 98.99 100.00 2.23e-62 . . . . 11472 1 19 no REF NP_001012060 . "E3 ubiquitin-protein ligase RNF146 [Rattus norvegicus]" . . . . . 90.00 355 97.98 98.99 2.85e-62 . . . . 11472 1 20 no REF NP_001070448 . "E3 ubiquitin-protein ligase RNF146-B [Bos taurus]" . . . . . 90.00 347 97.98 100.00 7.09e-62 . . . . 11472 1 21 no REF NP_001103666 . "E3 ubiquitin-protein ligase RNF146 [Mus musculus]" . . . . . 90.00 359 98.99 100.00 2.06e-62 . . . . 11472 1 22 no REF NP_001103667 . "E3 ubiquitin-protein ligase RNF146 [Mus musculus]" . . . . . 90.00 359 98.99 100.00 2.06e-62 . . . . 11472 1 23 no REF NP_001103668 . "E3 ubiquitin-protein ligase RNF146 [Mus musculus]" . . . . . 90.00 359 98.99 100.00 2.06e-62 . . . . 11472 1 24 no SP D2H0Y8 . "RecName: Full=E3 ubiquitin-protein ligase RNF146; AltName: Full=Iduna; AltName: Full=RING finger protein 146" . . . . . 90.00 359 97.98 100.00 1.92e-64 . . . . 11472 1 25 no SP Q2PFU6 . "RecName: Full=E3 ubiquitin-protein ligase RNF146; AltName: Full=Iduna; AltName: Full=RING finger protein 146" . . . . . 90.00 360 98.99 100.00 1.68e-62 . . . . 11472 1 26 no SP Q3T139 . "RecName: Full=E3 ubiquitin-protein ligase RNF146-B; AltName: Full=RING finger protein 146-B" . . . . . 90.00 347 97.98 100.00 7.09e-62 . . . . 11472 1 27 no SP Q5REL3 . "RecName: Full=E3 ubiquitin-protein ligase RNF146; AltName: Full=Iduna; AltName: Full=RING finger protein 146" . . . . . 90.00 358 97.98 98.99 3.00e-61 . . . . 11472 1 28 no SP Q5XIK5 . "RecName: Full=E3 ubiquitin-protein ligase RNF146; AltName: Full=Iduna; AltName: Full=RING finger protein 146" . . . . . 90.00 352 97.98 98.99 2.97e-62 . . . . 11472 1 29 no TPG DAA26356 . "TPA: ring finger protein 146 [Bos taurus]" . . . . . 90.00 347 97.98 100.00 7.09e-62 . . . . 11472 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 PRO . 11472 1 2 2 SER . 11472 1 3 3 SER . 11472 1 4 4 GLY . 11472 1 5 5 SER . 11472 1 6 6 SER . 11472 1 7 7 GLY . 11472 1 8 8 PHE . 11472 1 9 9 LEU . 11472 1 10 10 ASP . 11472 1 11 11 LYS . 11472 1 12 12 PRO . 11472 1 13 13 THR . 11472 1 14 14 LEU . 11472 1 15 15 LEU . 11472 1 16 16 SER . 11472 1 17 17 PRO . 11472 1 18 18 GLU . 11472 1 19 19 GLU . 11472 1 20 20 LEU . 11472 1 21 21 LYS . 11472 1 22 22 ALA . 11472 1 23 23 ALA . 11472 1 24 24 SER . 11472 1 25 25 ARG . 11472 1 26 26 GLY . 11472 1 27 27 ASN . 11472 1 28 28 GLY . 11472 1 29 29 GLU . 11472 1 30 30 TYR . 11472 1 31 31 ALA . 11472 1 32 32 TRP . 11472 1 33 33 TYR . 11472 1 34 34 TYR . 11472 1 35 35 GLU . 11472 1 36 36 GLY . 11472 1 37 37 ARG . 11472 1 38 38 ASN . 11472 1 39 39 GLY . 11472 1 40 40 TRP . 11472 1 41 41 TRP . 11472 1 42 42 GLN . 11472 1 43 43 TYR . 11472 1 44 44 ASP . 11472 1 45 45 GLU . 11472 1 46 46 ARG . 11472 1 47 47 THR . 11472 1 48 48 SER . 11472 1 49 49 ARG . 11472 1 50 50 GLU . 11472 1 51 51 LEU . 11472 1 52 52 GLU . 11472 1 53 53 ASP . 11472 1 54 54 ALA . 11472 1 55 55 PHE . 11472 1 56 56 SER . 11472 1 57 57 LYS . 11472 1 58 58 GLY . 11472 1 59 59 LYS . 11472 1 60 60 LYS . 11472 1 61 61 ASN . 11472 1 62 62 THR . 11472 1 63 63 GLU . 11472 1 64 64 MET . 11472 1 65 65 LEU . 11472 1 66 66 ILE . 11472 1 67 67 ALA . 11472 1 68 68 GLY . 11472 1 69 69 PHE . 11472 1 70 70 LEU . 11472 1 71 71 TYR . 11472 1 72 72 VAL . 11472 1 73 73 ALA . 11472 1 74 74 ASP . 11472 1 75 75 LEU . 11472 1 76 76 GLU . 11472 1 77 77 ASN . 11472 1 78 78 MET . 11472 1 79 79 VAL . 11472 1 80 80 GLN . 11472 1 81 81 TYR . 11472 1 82 82 ARG . 11472 1 83 83 ARG . 11472 1 84 84 ASN . 11472 1 85 85 GLU . 11472 1 86 86 HIS . 11472 1 87 87 GLY . 11472 1 88 88 ARG . 11472 1 89 89 ARG . 11472 1 90 90 ARG . 11472 1 91 91 LYS . 11472 1 92 92 ILE . 11472 1 93 93 LYS . 11472 1 94 94 ARG . 11472 1 95 95 ASP . 11472 1 96 96 ILE . 11472 1 97 97 ILE . 11472 1 98 98 ASP . 11472 1 99 99 ILE . 11472 1 100 100 PRO . 11472 1 101 101 LYS . 11472 1 102 102 LYS . 11472 1 103 103 GLY . 11472 1 104 104 VAL . 11472 1 105 105 SER . 11472 1 106 106 GLY . 11472 1 107 107 PRO . 11472 1 108 108 SER . 11472 1 109 109 SER . 11472 1 110 110 GLY . 11472 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 . PRO 1 1 11472 1 . SER 2 2 11472 1 . SER 3 3 11472 1 . GLY 4 4 11472 1 . SER 5 5 11472 1 . SER 6 6 11472 1 . GLY 7 7 11472 1 . PHE 8 8 11472 1 . LEU 9 9 11472 1 . ASP 10 10 11472 1 . LYS 11 11 11472 1 . PRO 12 12 11472 1 . THR 13 13 11472 1 . LEU 14 14 11472 1 . LEU 15 15 11472 1 . SER 16 16 11472 1 . PRO 17 17 11472 1 . GLU 18 18 11472 1 . GLU 19 19 11472 1 . LEU 20 20 11472 1 . LYS 21 21 11472 1 . ALA 22 22 11472 1 . ALA 23 23 11472 1 . SER 24 24 11472 1 . ARG 25 25 11472 1 . GLY 26 26 11472 1 . ASN 27 27 11472 1 . GLY 28 28 11472 1 . GLU 29 29 11472 1 . TYR 30 30 11472 1 . ALA 31 31 11472 1 . TRP 32 32 11472 1 . TYR 33 33 11472 1 . TYR 34 34 11472 1 . GLU 35 35 11472 1 . GLY 36 36 11472 1 . ARG 37 37 11472 1 . ASN 38 38 11472 1 . GLY 39 39 11472 1 . TRP 40 40 11472 1 . TRP 41 41 11472 1 . GLN 42 42 11472 1 . TYR 43 43 11472 1 . ASP 44 44 11472 1 . GLU 45 45 11472 1 . ARG 46 46 11472 1 . THR 47 47 11472 1 . SER 48 48 11472 1 . ARG 49 49 11472 1 . GLU 50 50 11472 1 . LEU 51 51 11472 1 . GLU 52 52 11472 1 . ASP 53 53 11472 1 . ALA 54 54 11472 1 . PHE 55 55 11472 1 . SER 56 56 11472 1 . LYS 57 57 11472 1 . GLY 58 58 11472 1 . LYS 59 59 11472 1 . LYS 60 60 11472 1 . ASN 61 61 11472 1 . THR 62 62 11472 1 . GLU 63 63 11472 1 . MET 64 64 11472 1 . LEU 65 65 11472 1 . ILE 66 66 11472 1 . ALA 67 67 11472 1 . GLY 68 68 11472 1 . PHE 69 69 11472 1 . LEU 70 70 11472 1 . TYR 71 71 11472 1 . VAL 72 72 11472 1 . ALA 73 73 11472 1 . ASP 74 74 11472 1 . LEU 75 75 11472 1 . GLU 76 76 11472 1 . ASN 77 77 11472 1 . MET 78 78 11472 1 . VAL 79 79 11472 1 . GLN 80 80 11472 1 . TYR 81 81 11472 1 . ARG 82 82 11472 1 . ARG 83 83 11472 1 . ASN 84 84 11472 1 . GLU 85 85 11472 1 . HIS 86 86 11472 1 . GLY 87 87 11472 1 . ARG 88 88 11472 1 . ARG 89 89 11472 1 . ARG 90 90 11472 1 . LYS 91 91 11472 1 . ILE 92 92 11472 1 . LYS 93 93 11472 1 . ARG 94 94 11472 1 . ASP 95 95 11472 1 . ILE 96 96 11472 1 . ILE 97 97 11472 1 . ASP 98 98 11472 1 . ILE 99 99 11472 1 . PRO 100 100 11472 1 . LYS 101 101 11472 1 . LYS 102 102 11472 1 . GLY 103 103 11472 1 . VAL 104 104 11472 1 . SER 105 105 11472 1 . GLY 106 106 11472 1 . PRO 107 107 11472 1 . SER 108 108 11472 1 . SER 109 109 11472 1 . GLY 110 110 11472 1 stop_ save_ save_ATP _Entity.Sf_category entity _Entity.Sf_framecode ATP _Entity.Entry_ID 11472 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ATP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ATP _Entity.Nonpolymer_comp_label $chem_comp_ATP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 110 ATP . 11472 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 11472 _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 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . Rnf146 . . . . 11472 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 11472 _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 $entity_1 . 'recombinant technology' 'E. coli - cell free' E.coli . 562 Escherichia coli . . . . . . . . . . . . . . . . P111111 . . . . . . 11472 1 2 2 $ATP . 'chemical synthesis' 'Escherichia coli' E.coli . 562 Escherichia coli . . . . . . . . . . . . . . . . P11111 . . . . . . 11472 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ATP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ATP _Chem_comp.Entry_ID 11472 _Chem_comp.ID ATP _Chem_comp.Provenance . _Chem_comp.Name ADENOSINE-5'-TRIPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ATP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ATP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H16 N5 O13 P3' _Chem_comp.Formula_weight 507.181 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1B0U _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Feb 28 21:24:09 2012 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 11472 ATP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11472 ATP InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 InChI InChI 1.03 11472 ATP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 11472 ATP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 11472 ATP O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 11472 ATP ZKHQWZAMYRWXGA-KQYNXXCUSA-N InChIKey InChI 1.03 11472 ATP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11472 ATP 'adenosine 5'-(tetrahydrogen triphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 11472 ATP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG . PG . . P . . N 0 . . . . no no . . . . 46.107 . 45.182 . 56.950 . 1.200 -0.226 -6.850 1 . 11472 ATP O1G . O1G . . O . . N 0 . . . . no no . . . . 45.779 . 46.330 . 56.052 . 1.740 1.140 -6.672 2 . 11472 ATP O2G . O2G . . O . . N 0 . . . . no no . . . . 47.382 . 44.497 . 56.626 . 2.123 -1.036 -7.891 3 . 11472 ATP O3G . O3G . . O . . N 0 . . . . no no . . . . 45.972 . 45.530 . 58.375 . -0.302 -0.139 -7.421 4 . 11472 ATP PB . PB . . P . . R 0 . . . . no no . . . . 43.911 . 43.740 . 55.655 . 0.255 -0.130 -4.446 5 . 11472 ATP O1B . O1B . . O . . N 0 . . . . no no . . . . 42.975 . 42.722 . 55.986 . 0.810 1.234 -4.304 6 . 11472 ATP O2B . O2B . . O . . N 0 . . . . no no . . . . 43.603 . 44.767 . 54.678 . -1.231 -0.044 -5.057 7 . 11472 ATP O3B . O3B . . O . . N 0 . . . . no no . . . . 45.041 . 44.015 . 56.738 . 1.192 -0.990 -5.433 8 . 11472 ATP PA . PA . . P . . R 0 . . . . no no . . . . 45.228 . 42.669 . 53.257 . -0.745 0.068 -2.071 9 . 11472 ATP O1A . O1A . . O . . N 0 . . . . no no . . . . 46.380 . 43.396 . 52.788 . -2.097 0.143 -2.669 10 . 11472 ATP O2A . O2A . . O . . N 0 . . . . no no . . . . 44.183 . 42.190 . 52.351 . -0.125 1.549 -1.957 11 . 11472 ATP O3A . O3A . . O . . N 0 . . . . no no . . . . 44.917 . 42.716 . 54.789 . 0.203 -0.840 -3.002 12 . 11472 ATP O5' . O5' . . O . . N 0 . . . . no no . . . . 46.172 . 41.568 . 53.302 . -0.844 -0.587 -0.604 13 . 11472 ATP C5' . C5' . . C . . N 0 . . . . no no . . . . 46.609 . 40.422 . 53.542 . -1.694 0.260 0.170 14 . 11472 ATP C4' . C4' . . C . . R 0 . . . . no no . . . . 46.520 . 38.989 . 53.364 . -1.831 -0.309 1.584 15 . 11472 ATP O4' . O4' . . O . . N 0 . . . . no no . . . . 46.785 . 38.908 . 51.948 . -0.542 -0.355 2.234 16 . 11472 ATP C3' . C3' . . C . . S 0 . . . . no no . . . . 47.808 . 38.874 . 54.112 . -2.683 0.630 2.465 17 . 11472 ATP O3' . O3' . . O . . N 0 . . . . no no . . . . 47.713 . 38.357 . 55.423 . -4.033 0.165 2.534 18 . 11472 ATP C2' . C2' . . C . . R 0 . . . . no no . . . . 48.719 . 38.116 . 53.139 . -2.011 0.555 3.856 19 . 11472 ATP O2' . O2' . . O . . N 0 . . . . no no . . . . 48.632 . 36.737 . 53.425 . -2.926 0.043 4.827 20 . 11472 ATP C1' . C1' . . C . . R 0 . . . . no no . . . . 48.133 . 38.409 . 51.721 . -0.830 -0.418 3.647 21 . 11472 ATP N9 . N9 . . N . . N 0 . . . . yes no . . . . 48.846 . 39.464 . 50.986 . 0.332 0.015 4.425 22 . 11472 ATP C8 . C8 . . C . . N 0 . . . . yes no . . . . 48.616 . 40.842 . 50.945 . 1.302 0.879 4.012 23 . 11472 ATP N7 . N7 . . N . . N 0 . . . . yes no . . . . 49.425 . 41.489 . 50.165 . 2.184 1.042 4.955 24 . 11472 ATP C5 . C5 . . C . . N 0 . . . . yes no . . . . 50.232 . 40.470 . 49.664 . 1.833 0.300 6.033 25 . 11472 ATP C6 . C6 . . C . . N 0 . . . . yes no . . . . 51.308 . 40.466 . 48.731 . 2.391 0.077 7.303 26 . 11472 ATP N6 . N6 . . N . . N 0 . . . . no no . . . . 51.721 . 41.568 . 48.129 . 3.564 0.706 7.681 27 . 11472 ATP N1 . N1 . . N . . N 0 . . . . yes no . . . . 51.912 . 39.274 . 48.447 . 1.763 -0.747 8.135 28 . 11472 ATP C2 . C2 . . C . . N 0 . . . . yes no . . . . 51.493 . 38.151 . 49.029 . 0.644 -1.352 7.783 29 . 11472 ATP N3 . N3 . . N . . N 0 . . . . yes no . . . . 50.491 . 38.016 . 49.900 . 0.088 -1.178 6.602 30 . 11472 ATP C4 . C4 . . C . . N 0 . . . . yes no . . . . 49.892 . 39.253 . 50.171 . 0.644 -0.371 5.704 31 . 11472 ATP HOG2 . HOG2 . . H . . N 0 . . . . no no . . . . 47.590 . 43.767 . 57.197 . 2.100 -0.546 -8.725 32 . 11472 ATP HOG3 . HOG3 . . H . . N 0 . . . . no no . . . . 46.180 . 44.800 . 58.946 . -0.616 -1.048 -7.522 33 . 11472 ATP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 44.228 . 45.447 . 54.456 . -1.554 -0.952 -5.132 34 . 11472 ATP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 43.423 . 41.710 . 52.660 . 0.752 1.455 -1.563 35 . 11472 ATP H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 47.666 . 40.570 . 53.221 . -2.678 0.312 -0.296 36 . 11472 ATP H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 46.587 . 40.459 . 54.656 . -1.263 1.259 0.221 37 . 11472 ATP H4' . H4' . . H . . N 0 . . . . no no . . . . 45.665 . 38.327 . 53.639 . -2.275 -1.304 1.550 38 . 11472 ATP H3' . H3' . . H . . N 0 . . . . no no . . . . 48.234 . 39.870 . 54.375 . -2.651 1.649 2.078 39 . 11472 ATP HO3' . HO3' . . H . . N 0 . . . . no no . . . . 48.532 . 38.283 . 55.898 . -4.515 0.788 3.094 40 . 11472 ATP H2' . H2' . . H . . N 0 . . . . no no . . . . 49.788 . 38.422 . 53.212 . -1.646 1.537 4.157 41 . 11472 ATP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 49.196 . 36.267 . 52.822 . -3.667 0.662 4.867 42 . 11472 ATP H1' . H1' . . H . . N 0 . . . . no no . . . . 48.203 . 37.474 . 51.117 . -1.119 -1.430 3.931 43 . 11472 ATP H8 . H8 . . H . . N 0 . . . . no no . . . . 47.836 . 41.390 . 51.499 . 1.334 1.357 3.044 44 . 11472 ATP HN61 . HN61 . . H . . N 0 . . . . no no . . . . 52.491 . 41.565 . 47.460 . 3.938 0.548 8.562 45 . 11472 ATP HN62 . HN62 . . H . . N 0 . . . . no no . . . . 51.940 . 42.252 . 48.852 . 4.015 1.303 7.064 46 . 11472 ATP H2 . H2 . . H . . N 0 . . . . no no . . . . 52.036 . 37.229 . 48.759 . 0.166 -2.014 8.490 47 . 11472 ATP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G no N 1 . 11472 ATP 2 . SING PG O2G no N 2 . 11472 ATP 3 . SING PG O3G no N 3 . 11472 ATP 4 . SING PG O3B no N 4 . 11472 ATP 5 . SING O2G HOG2 no N 5 . 11472 ATP 6 . SING O3G HOG3 no N 6 . 11472 ATP 7 . DOUB PB O1B no N 7 . 11472 ATP 8 . SING PB O2B no N 8 . 11472 ATP 9 . SING PB O3B no N 9 . 11472 ATP 10 . SING PB O3A no N 10 . 11472 ATP 11 . SING O2B HOB2 no N 11 . 11472 ATP 12 . DOUB PA O1A no N 12 . 11472 ATP 13 . SING PA O2A no N 13 . 11472 ATP 14 . SING PA O3A no N 14 . 11472 ATP 15 . SING PA O5' no N 15 . 11472 ATP 16 . SING O2A HOA2 no N 16 . 11472 ATP 17 . SING O5' C5' no N 17 . 11472 ATP 18 . SING C5' C4' no N 18 . 11472 ATP 19 . SING C5' H5'1 no N 19 . 11472 ATP 20 . SING C5' H5'2 no N 20 . 11472 ATP 21 . SING C4' O4' no N 21 . 11472 ATP 22 . SING C4' C3' no N 22 . 11472 ATP 23 . SING C4' H4' no N 23 . 11472 ATP 24 . SING O4' C1' no N 24 . 11472 ATP 25 . SING C3' O3' no N 25 . 11472 ATP 26 . SING C3' C2' no N 26 . 11472 ATP 27 . SING C3' H3' no N 27 . 11472 ATP 28 . SING O3' HO3' no N 28 . 11472 ATP 29 . SING C2' O2' no N 29 . 11472 ATP 30 . SING C2' C1' no N 30 . 11472 ATP 31 . SING C2' H2' no N 31 . 11472 ATP 32 . SING O2' HO2' no N 32 . 11472 ATP 33 . SING C1' N9 no N 33 . 11472 ATP 34 . SING C1' H1' no N 34 . 11472 ATP 35 . SING N9 C8 yes N 35 . 11472 ATP 36 . SING N9 C4 yes N 36 . 11472 ATP 37 . DOUB C8 N7 yes N 37 . 11472 ATP 38 . SING C8 H8 no N 38 . 11472 ATP 39 . SING N7 C5 yes N 39 . 11472 ATP 40 . SING C5 C6 yes N 40 . 11472 ATP 41 . DOUB C5 C4 yes N 41 . 11472 ATP 42 . SING C6 N6 no N 42 . 11472 ATP 43 . DOUB C6 N1 yes N 43 . 11472 ATP 44 . SING N6 HN61 no N 44 . 11472 ATP 45 . SING N6 HN62 no N 45 . 11472 ATP 46 . SING N1 C2 yes N 46 . 11472 ATP 47 . DOUB C2 N3 yes N 47 . 11472 ATP 48 . SING C2 H2 no N 48 . 11472 ATP 49 . SING N3 C4 yes N 49 . 11472 ATP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11472 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0mM 13C, 15N-labeled protein; 20mM d-Tris-HCl(pH 7.0); 100mM NaCl; 1mM d-DTT; 0.02% NaN3;' _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 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . protein 1.0 . . mM . . . . 11472 1 2 H2O . . . . . . solvent 90 . . % . . . . 11472 1 3 D2O . . . . . . solvent 10 . . % . . . . 11472 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 11472 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 11472 1 pH 7.0 . pH 11472 1 pressure 1 . atm 11472 1 temperature 298 . K 11472 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11472 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11472 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11472 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11472 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11472 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11472 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11472 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11472 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 11472 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11472 _Software.ID 4 _Software.Name Kujira _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'N. Kobayshi' . . 11472 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11472 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11472 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11472 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11472 5 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11472 _Software.ID 6 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 11472 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11472 6 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 11472 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11472 _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 Bruker Avance . 800 . . . 11472 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 11472 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11472 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11472 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 11472 _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 . . . . . . . . . 11472 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11472 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11472 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 11472 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 11472 1 2 '3D 1H-13C NOESY' . . . 11472 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 7 7 GLY H H 1 8.546 0.030 . 1 . . . A 7 GLY H . 11472 1 2 . 1 1 7 7 GLY HA2 H 1 3.874 0.030 . 2 . . . A 7 GLY HA2 . 11472 1 3 . 1 1 7 7 GLY HA3 H 1 3.957 0.030 . 2 . . . A 7 GLY HA3 . 11472 1 4 . 1 1 7 7 GLY C C 13 173.866 0.300 . 1 . . . A 7 GLY C . 11472 1 5 . 1 1 7 7 GLY CA C 13 45.281 0.300 . 1 . . . A 7 GLY CA . 11472 1 6 . 1 1 7 7 GLY N N 15 111.352 0.300 . 1 . . . A 7 GLY N . 11472 1 7 . 1 1 8 8 PHE H H 1 8.130 0.030 . 1 . . . A 8 PHE H . 11472 1 8 . 1 1 8 8 PHE HA H 1 4.550 0.030 . 1 . . . A 8 PHE HA . 11472 1 9 . 1 1 8 8 PHE HB2 H 1 3.082 0.030 . 2 . . . A 8 PHE HB2 . 11472 1 10 . 1 1 8 8 PHE HB3 H 1 2.971 0.030 . 2 . . . A 8 PHE HB3 . 11472 1 11 . 1 1 8 8 PHE HD1 H 1 7.171 0.030 . 3 . . . A 8 PHE HD1 . 11472 1 12 . 1 1 8 8 PHE HD2 H 1 7.171 0.030 . 3 . . . A 8 PHE HD2 . 11472 1 13 . 1 1 8 8 PHE HE1 H 1 7.241 0.030 . 3 . . . A 8 PHE HE1 . 11472 1 14 . 1 1 8 8 PHE HE2 H 1 7.241 0.030 . 3 . . . A 8 PHE HE2 . 11472 1 15 . 1 1 8 8 PHE C C 13 175.674 0.300 . 1 . . . A 8 PHE C . 11472 1 16 . 1 1 8 8 PHE CA C 13 57.863 0.300 . 1 . . . A 8 PHE CA . 11472 1 17 . 1 1 8 8 PHE CB C 13 39.488 0.300 . 1 . . . A 8 PHE CB . 11472 1 18 . 1 1 8 8 PHE CD1 C 13 131.671 0.300 . 3 . . . A 8 PHE CD1 . 11472 1 19 . 1 1 8 8 PHE CD2 C 13 131.671 0.300 . 3 . . . A 8 PHE CD2 . 11472 1 20 . 1 1 8 8 PHE CE1 C 13 129.735 0.300 . 3 . . . A 8 PHE CE1 . 11472 1 21 . 1 1 8 8 PHE CE2 C 13 129.735 0.300 . 3 . . . A 8 PHE CE2 . 11472 1 22 . 1 1 8 8 PHE N N 15 120.088 0.300 . 1 . . . A 8 PHE N . 11472 1 23 . 1 1 9 9 LEU H H 1 8.250 0.030 . 1 . . . A 9 LEU H . 11472 1 24 . 1 1 9 9 LEU HA H 1 4.273 0.030 . 1 . . . A 9 LEU HA . 11472 1 25 . 1 1 9 9 LEU HB2 H 1 1.551 0.030 . 2 . . . A 9 LEU HB2 . 11472 1 26 . 1 1 9 9 LEU HB3 H 1 1.488 0.030 . 2 . . . A 9 LEU HB3 . 11472 1 27 . 1 1 9 9 LEU HG H 1 1.482 0.030 . 1 . . . A 9 LEU HG . 11472 1 28 . 1 1 9 9 LEU HD11 H 1 0.872 0.030 . 2 . . . A 9 LEU HD11 . 11472 1 29 . 1 1 9 9 LEU HD12 H 1 0.872 0.030 . 2 . . . A 9 LEU HD12 . 11472 1 30 . 1 1 9 9 LEU HD13 H 1 0.872 0.030 . 2 . . . A 9 LEU HD13 . 11472 1 31 . 1 1 9 9 LEU HD21 H 1 0.790 0.030 . 2 . . . A 9 LEU HD21 . 11472 1 32 . 1 1 9 9 LEU HD22 H 1 0.790 0.030 . 2 . . . A 9 LEU HD22 . 11472 1 33 . 1 1 9 9 LEU HD23 H 1 0.790 0.030 . 2 . . . A 9 LEU HD23 . 11472 1 34 . 1 1 9 9 LEU C C 13 176.623 0.300 . 1 . . . A 9 LEU C . 11472 1 35 . 1 1 9 9 LEU CA C 13 54.864 0.300 . 1 . . . A 9 LEU CA . 11472 1 36 . 1 1 9 9 LEU CB C 13 42.353 0.300 . 1 . . . A 9 LEU CB . 11472 1 37 . 1 1 9 9 LEU CG C 13 26.766 0.300 . 1 . . . A 9 LEU CG . 11472 1 38 . 1 1 9 9 LEU CD1 C 13 24.846 0.300 . 2 . . . A 9 LEU CD1 . 11472 1 39 . 1 1 9 9 LEU CD2 C 13 23.252 0.300 . 2 . . . A 9 LEU CD2 . 11472 1 40 . 1 1 9 9 LEU N N 15 123.592 0.300 . 1 . . . A 9 LEU N . 11472 1 41 . 1 1 10 10 ASP H H 1 8.242 0.030 . 1 . . . A 10 ASP H . 11472 1 42 . 1 1 10 10 ASP HA H 1 4.487 0.030 . 1 . . . A 10 ASP HA . 11472 1 43 . 1 1 10 10 ASP HB2 H 1 2.632 0.030 . 2 . . . A 10 ASP HB2 . 11472 1 44 . 1 1 10 10 ASP HB3 H 1 2.534 0.030 . 2 . . . A 10 ASP HB3 . 11472 1 45 . 1 1 10 10 ASP C C 13 175.622 0.300 . 1 . . . A 10 ASP C . 11472 1 46 . 1 1 10 10 ASP CA C 13 54.281 0.300 . 1 . . . A 10 ASP CA . 11472 1 47 . 1 1 10 10 ASP CB C 13 41.071 0.300 . 1 . . . A 10 ASP CB . 11472 1 48 . 1 1 10 10 ASP N N 15 121.357 0.300 . 1 . . . A 10 ASP N . 11472 1 49 . 1 1 11 11 LYS H H 1 8.178 0.030 . 1 . . . A 11 LYS H . 11472 1 50 . 1 1 11 11 LYS HA H 1 4.561 0.030 . 1 . . . A 11 LYS HA . 11472 1 51 . 1 1 11 11 LYS HB2 H 1 1.779 0.030 . 2 . . . A 11 LYS HB2 . 11472 1 52 . 1 1 11 11 LYS HB3 H 1 1.671 0.030 . 2 . . . A 11 LYS HB3 . 11472 1 53 . 1 1 11 11 LYS HG2 H 1 1.427 0.030 . 2 . . . A 11 LYS HG2 . 11472 1 54 . 1 1 11 11 LYS HG3 H 1 1.390 0.030 . 2 . . . A 11 LYS HG3 . 11472 1 55 . 1 1 11 11 LYS HD2 H 1 1.642 0.030 . 2 . . . A 11 LYS HD2 . 11472 1 56 . 1 1 11 11 LYS HD3 H 1 1.642 0.030 . 2 . . . A 11 LYS HD3 . 11472 1 57 . 1 1 11 11 LYS HE2 H 1 2.969 0.030 . 2 . . . A 11 LYS HE2 . 11472 1 58 . 1 1 11 11 LYS HE3 H 1 2.969 0.030 . 2 . . . A 11 LYS HE3 . 11472 1 59 . 1 1 11 11 LYS C C 13 174.285 0.300 . 1 . . . A 11 LYS C . 11472 1 60 . 1 1 11 11 LYS CA C 13 54.078 0.300 . 1 . . . A 11 LYS CA . 11472 1 61 . 1 1 11 11 LYS CB C 13 32.541 0.300 . 1 . . . A 11 LYS CB . 11472 1 62 . 1 1 11 11 LYS CG C 13 24.482 0.300 . 1 . . . A 11 LYS CG . 11472 1 63 . 1 1 11 11 LYS CD C 13 29.041 0.300 . 1 . . . A 11 LYS CD . 11472 1 64 . 1 1 11 11 LYS CE C 13 42.183 0.300 . 1 . . . A 11 LYS CE . 11472 1 65 . 1 1 11 11 LYS N N 15 122.529 0.300 . 1 . . . A 11 LYS N . 11472 1 66 . 1 1 12 12 PRO HA H 1 4.431 0.030 . 1 . . . A 12 PRO HA . 11472 1 67 . 1 1 12 12 PRO HB2 H 1 1.840 0.030 . 2 . . . A 12 PRO HB2 . 11472 1 68 . 1 1 12 12 PRO HB3 H 1 2.259 0.030 . 2 . . . A 12 PRO HB3 . 11472 1 69 . 1 1 12 12 PRO HG2 H 1 1.968 0.030 . 2 . . . A 12 PRO HG2 . 11472 1 70 . 1 1 12 12 PRO HG3 H 1 1.968 0.030 . 2 . . . A 12 PRO HG3 . 11472 1 71 . 1 1 12 12 PRO HD2 H 1 3.748 0.030 . 2 . . . A 12 PRO HD2 . 11472 1 72 . 1 1 12 12 PRO HD3 H 1 3.609 0.030 . 2 . . . A 12 PRO HD3 . 11472 1 73 . 1 1 12 12 PRO C C 13 176.976 0.300 . 1 . . . A 12 PRO C . 11472 1 74 . 1 1 12 12 PRO CA C 13 63.073 0.300 . 1 . . . A 12 PRO CA . 11472 1 75 . 1 1 12 12 PRO CB C 13 32.192 0.300 . 1 . . . A 12 PRO CB . 11472 1 76 . 1 1 12 12 PRO CG C 13 27.363 0.300 . 1 . . . A 12 PRO CG . 11472 1 77 . 1 1 12 12 PRO CD C 13 50.610 0.300 . 1 . . . A 12 PRO CD . 11472 1 78 . 1 1 13 13 THR H H 1 8.411 0.030 . 1 . . . A 13 THR H . 11472 1 79 . 1 1 13 13 THR HA H 1 4.229 0.030 . 1 . . . A 13 THR HA . 11472 1 80 . 1 1 13 13 THR HB H 1 4.098 0.030 . 1 . . . A 13 THR HB . 11472 1 81 . 1 1 13 13 THR HG21 H 1 1.179 0.030 . 1 . . . A 13 THR HG21 . 11472 1 82 . 1 1 13 13 THR HG22 H 1 1.179 0.030 . 1 . . . A 13 THR HG22 . 11472 1 83 . 1 1 13 13 THR HG23 H 1 1.179 0.030 . 1 . . . A 13 THR HG23 . 11472 1 84 . 1 1 13 13 THR C C 13 174.243 0.300 . 1 . . . A 13 THR C . 11472 1 85 . 1 1 13 13 THR CA C 13 62.044 0.300 . 1 . . . A 13 THR CA . 11472 1 86 . 1 1 13 13 THR CB C 13 69.725 0.300 . 1 . . . A 13 THR CB . 11472 1 87 . 1 1 13 13 THR CG2 C 13 21.616 0.300 . 1 . . . A 13 THR CG2 . 11472 1 88 . 1 1 13 13 THR N N 15 116.163 0.300 . 1 . . . A 13 THR N . 11472 1 89 . 1 1 14 14 LEU H H 1 8.421 0.030 . 1 . . . A 14 LEU H . 11472 1 90 . 1 1 14 14 LEU HA H 1 4.360 0.030 . 1 . . . A 14 LEU HA . 11472 1 91 . 1 1 14 14 LEU HB2 H 1 1.557 0.030 . 2 . . . A 14 LEU HB2 . 11472 1 92 . 1 1 14 14 LEU HB3 H 1 1.557 0.030 . 2 . . . A 14 LEU HB3 . 11472 1 93 . 1 1 14 14 LEU HG H 1 1.575 0.030 . 1 . . . A 14 LEU HG . 11472 1 94 . 1 1 14 14 LEU HD11 H 1 0.869 0.030 . 2 . . . A 14 LEU HD11 . 11472 1 95 . 1 1 14 14 LEU HD12 H 1 0.869 0.030 . 2 . . . A 14 LEU HD12 . 11472 1 96 . 1 1 14 14 LEU HD13 H 1 0.869 0.030 . 2 . . . A 14 LEU HD13 . 11472 1 97 . 1 1 14 14 LEU HD21 H 1 0.827 0.030 . 2 . . . A 14 LEU HD21 . 11472 1 98 . 1 1 14 14 LEU HD22 H 1 0.827 0.030 . 2 . . . A 14 LEU HD22 . 11472 1 99 . 1 1 14 14 LEU HD23 H 1 0.827 0.030 . 2 . . . A 14 LEU HD23 . 11472 1 100 . 1 1 14 14 LEU C C 13 176.792 0.300 . 1 . . . A 14 LEU C . 11472 1 101 . 1 1 14 14 LEU CA C 13 54.854 0.300 . 1 . . . A 14 LEU CA . 11472 1 102 . 1 1 14 14 LEU CB C 13 42.312 0.300 . 1 . . . A 14 LEU CB . 11472 1 103 . 1 1 14 14 LEU CG C 13 26.948 0.300 . 1 . . . A 14 LEU CG . 11472 1 104 . 1 1 14 14 LEU CD1 C 13 24.911 0.300 . 2 . . . A 14 LEU CD1 . 11472 1 105 . 1 1 14 14 LEU CD2 C 13 23.543 0.300 . 2 . . . A 14 LEU CD2 . 11472 1 106 . 1 1 14 14 LEU N N 15 126.069 0.300 . 1 . . . A 14 LEU N . 11472 1 107 . 1 1 15 15 LEU H H 1 8.299 0.030 . 1 . . . A 15 LEU H . 11472 1 108 . 1 1 15 15 LEU HA H 1 4.423 0.030 . 1 . . . A 15 LEU HA . 11472 1 109 . 1 1 15 15 LEU HB2 H 1 1.592 0.030 . 2 . . . A 15 LEU HB2 . 11472 1 110 . 1 1 15 15 LEU HB3 H 1 1.453 0.030 . 2 . . . A 15 LEU HB3 . 11472 1 111 . 1 1 15 15 LEU HG H 1 1.613 0.030 . 1 . . . A 15 LEU HG . 11472 1 112 . 1 1 15 15 LEU HD11 H 1 0.807 0.030 . 2 . . . A 15 LEU HD11 . 11472 1 113 . 1 1 15 15 LEU HD12 H 1 0.807 0.030 . 2 . . . A 15 LEU HD12 . 11472 1 114 . 1 1 15 15 LEU HD13 H 1 0.807 0.030 . 2 . . . A 15 LEU HD13 . 11472 1 115 . 1 1 15 15 LEU HD21 H 1 0.784 0.030 . 2 . . . A 15 LEU HD21 . 11472 1 116 . 1 1 15 15 LEU HD22 H 1 0.784 0.030 . 2 . . . A 15 LEU HD22 . 11472 1 117 . 1 1 15 15 LEU HD23 H 1 0.784 0.030 . 2 . . . A 15 LEU HD23 . 11472 1 118 . 1 1 15 15 LEU C C 13 176.883 0.300 . 1 . . . A 15 LEU C . 11472 1 119 . 1 1 15 15 LEU CA C 13 54.648 0.300 . 1 . . . A 15 LEU CA . 11472 1 120 . 1 1 15 15 LEU CB C 13 42.670 0.300 . 1 . . . A 15 LEU CB . 11472 1 121 . 1 1 15 15 LEU CG C 13 27.256 0.300 . 1 . . . A 15 LEU CG . 11472 1 122 . 1 1 15 15 LEU CD1 C 13 24.296 0.300 . 2 . . . A 15 LEU CD1 . 11472 1 123 . 1 1 15 15 LEU CD2 C 13 23.256 0.300 . 2 . . . A 15 LEU CD2 . 11472 1 124 . 1 1 15 15 LEU N N 15 124.213 0.300 . 1 . . . A 15 LEU N . 11472 1 125 . 1 1 16 16 SER H H 1 8.892 0.030 . 1 . . . A 16 SER H . 11472 1 126 . 1 1 16 16 SER HA H 1 4.691 0.030 . 1 . . . A 16 SER HA . 11472 1 127 . 1 1 16 16 SER HB2 H 1 3.941 0.030 . 2 . . . A 16 SER HB2 . 11472 1 128 . 1 1 16 16 SER HB3 H 1 4.190 0.030 . 2 . . . A 16 SER HB3 . 11472 1 129 . 1 1 16 16 SER C C 13 173.021 0.300 . 1 . . . A 16 SER C . 11472 1 130 . 1 1 16 16 SER CA C 13 56.517 0.300 . 1 . . . A 16 SER CA . 11472 1 131 . 1 1 16 16 SER CB C 13 63.129 0.300 . 1 . . . A 16 SER CB . 11472 1 132 . 1 1 16 16 SER N N 15 119.435 0.300 . 1 . . . A 16 SER N . 11472 1 133 . 1 1 17 17 PRO HA H 1 4.262 0.030 . 1 . . . A 17 PRO HA . 11472 1 134 . 1 1 17 17 PRO HB2 H 1 1.911 0.030 . 2 . . . A 17 PRO HB2 . 11472 1 135 . 1 1 17 17 PRO HB3 H 1 2.338 0.030 . 2 . . . A 17 PRO HB3 . 11472 1 136 . 1 1 17 17 PRO HG2 H 1 2.142 0.030 . 2 . . . A 17 PRO HG2 . 11472 1 137 . 1 1 17 17 PRO HG3 H 1 2.010 0.030 . 2 . . . A 17 PRO HG3 . 11472 1 138 . 1 1 17 17 PRO HD2 H 1 3.884 0.030 . 2 . . . A 17 PRO HD2 . 11472 1 139 . 1 1 17 17 PRO HD3 H 1 3.833 0.030 . 2 . . . A 17 PRO HD3 . 11472 1 140 . 1 1 17 17 PRO C C 13 178.620 0.300 . 1 . . . A 17 PRO C . 11472 1 141 . 1 1 17 17 PRO CA C 13 65.150 0.300 . 1 . . . A 17 PRO CA . 11472 1 142 . 1 1 17 17 PRO CB C 13 31.863 0.300 . 1 . . . A 17 PRO CB . 11472 1 143 . 1 1 17 17 PRO CG C 13 27.886 0.300 . 1 . . . A 17 PRO CG . 11472 1 144 . 1 1 17 17 PRO CD C 13 50.295 0.300 . 1 . . . A 17 PRO CD . 11472 1 145 . 1 1 18 18 GLU H H 1 8.676 0.030 . 1 . . . A 18 GLU H . 11472 1 146 . 1 1 18 18 GLU HA H 1 4.045 0.030 . 1 . . . A 18 GLU HA . 11472 1 147 . 1 1 18 18 GLU HB2 H 1 1.984 0.030 . 2 . . . A 18 GLU HB2 . 11472 1 148 . 1 1 18 18 GLU HB3 H 1 1.930 0.030 . 2 . . . A 18 GLU HB3 . 11472 1 149 . 1 1 18 18 GLU HG2 H 1 2.341 0.030 . 2 . . . A 18 GLU HG2 . 11472 1 150 . 1 1 18 18 GLU HG3 H 1 2.260 0.030 . 2 . . . A 18 GLU HG3 . 11472 1 151 . 1 1 18 18 GLU C C 13 178.353 0.300 . 1 . . . A 18 GLU C . 11472 1 152 . 1 1 18 18 GLU CA C 13 59.000 0.300 . 1 . . . A 18 GLU CA . 11472 1 153 . 1 1 18 18 GLU CB C 13 29.315 0.300 . 1 . . . A 18 GLU CB . 11472 1 154 . 1 1 18 18 GLU CG C 13 36.588 0.300 . 1 . . . A 18 GLU CG . 11472 1 155 . 1 1 18 18 GLU N N 15 118.385 0.300 . 1 . . . A 18 GLU N . 11472 1 156 . 1 1 19 19 GLU H H 1 8.085 0.030 . 1 . . . A 19 GLU H . 11472 1 157 . 1 1 19 19 GLU HA H 1 4.092 0.030 . 1 . . . A 19 GLU HA . 11472 1 158 . 1 1 19 19 GLU HB2 H 1 2.200 0.030 . 2 . . . A 19 GLU HB2 . 11472 1 159 . 1 1 19 19 GLU HB3 H 1 1.990 0.030 . 2 . . . A 19 GLU HB3 . 11472 1 160 . 1 1 19 19 GLU HG2 H 1 2.298 0.030 . 2 . . . A 19 GLU HG2 . 11472 1 161 . 1 1 19 19 GLU HG3 H 1 2.222 0.030 . 2 . . . A 19 GLU HG3 . 11472 1 162 . 1 1 19 19 GLU C C 13 178.223 0.300 . 1 . . . A 19 GLU C . 11472 1 163 . 1 1 19 19 GLU CA C 13 58.071 0.300 . 1 . . . A 19 GLU CA . 11472 1 164 . 1 1 19 19 GLU CB C 13 30.367 0.300 . 1 . . . A 19 GLU CB . 11472 1 165 . 1 1 19 19 GLU CG C 13 37.056 0.300 . 1 . . . A 19 GLU CG . 11472 1 166 . 1 1 19 19 GLU N N 15 122.034 0.300 . 1 . . . A 19 GLU N . 11472 1 167 . 1 1 20 20 LEU H H 1 8.453 0.030 . 1 . . . A 20 LEU H . 11472 1 168 . 1 1 20 20 LEU HA H 1 4.100 0.030 . 1 . . . A 20 LEU HA . 11472 1 169 . 1 1 20 20 LEU HB2 H 1 1.691 0.030 . 2 . . . A 20 LEU HB2 . 11472 1 170 . 1 1 20 20 LEU HB3 H 1 1.541 0.030 . 2 . . . A 20 LEU HB3 . 11472 1 171 . 1 1 20 20 LEU HG H 1 1.563 0.030 . 1 . . . A 20 LEU HG . 11472 1 172 . 1 1 20 20 LEU HD11 H 1 0.841 0.030 . 2 . . . A 20 LEU HD11 . 11472 1 173 . 1 1 20 20 LEU HD12 H 1 0.841 0.030 . 2 . . . A 20 LEU HD12 . 11472 1 174 . 1 1 20 20 LEU HD13 H 1 0.841 0.030 . 2 . . . A 20 LEU HD13 . 11472 1 175 . 1 1 20 20 LEU HD21 H 1 0.833 0.030 . 2 . . . A 20 LEU HD21 . 11472 1 176 . 1 1 20 20 LEU HD22 H 1 0.833 0.030 . 2 . . . A 20 LEU HD22 . 11472 1 177 . 1 1 20 20 LEU HD23 H 1 0.833 0.030 . 2 . . . A 20 LEU HD23 . 11472 1 178 . 1 1 20 20 LEU C C 13 178.587 0.300 . 1 . . . A 20 LEU C . 11472 1 179 . 1 1 20 20 LEU CA C 13 56.811 0.300 . 1 . . . A 20 LEU CA . 11472 1 180 . 1 1 20 20 LEU CB C 13 41.885 0.300 . 1 . . . A 20 LEU CB . 11472 1 181 . 1 1 20 20 LEU CG C 13 26.931 0.300 . 1 . . . A 20 LEU CG . 11472 1 182 . 1 1 20 20 LEU CD1 C 13 25.222 0.300 . 2 . . . A 20 LEU CD1 . 11472 1 183 . 1 1 20 20 LEU CD2 C 13 23.846 0.300 . 2 . . . A 20 LEU CD2 . 11472 1 184 . 1 1 20 20 LEU N N 15 122.370 0.300 . 1 . . . A 20 LEU N . 11472 1 185 . 1 1 21 21 LYS H H 1 8.009 0.030 . 1 . . . A 21 LYS H . 11472 1 186 . 1 1 21 21 LYS HA H 1 4.109 0.030 . 1 . . . A 21 LYS HA . 11472 1 187 . 1 1 21 21 LYS HB2 H 1 1.825 0.030 . 2 . . . A 21 LYS HB2 . 11472 1 188 . 1 1 21 21 LYS HB3 H 1 1.825 0.030 . 2 . . . A 21 LYS HB3 . 11472 1 189 . 1 1 21 21 LYS HG2 H 1 1.636 0.030 . 2 . . . A 21 LYS HG2 . 11472 1 190 . 1 1 21 21 LYS HG3 H 1 1.636 0.030 . 2 . . . A 21 LYS HG3 . 11472 1 191 . 1 1 21 21 LYS HD2 H 1 1.470 0.030 . 2 . . . A 21 LYS HD2 . 11472 1 192 . 1 1 21 21 LYS HD3 H 1 1.389 0.030 . 2 . . . A 21 LYS HD3 . 11472 1 193 . 1 1 21 21 LYS HE2 H 1 2.928 0.030 . 2 . . . A 21 LYS HE2 . 11472 1 194 . 1 1 21 21 LYS HE3 H 1 2.928 0.030 . 2 . . . A 21 LYS HE3 . 11472 1 195 . 1 1 21 21 LYS C C 13 177.546 0.300 . 1 . . . A 21 LYS C . 11472 1 196 . 1 1 21 21 LYS CA C 13 57.880 0.300 . 1 . . . A 21 LYS CA . 11472 1 197 . 1 1 21 21 LYS CB C 13 32.634 0.300 . 1 . . . A 21 LYS CB . 11472 1 198 . 1 1 21 21 LYS CG C 13 29.215 0.300 . 1 . . . A 21 LYS CG . 11472 1 199 . 1 1 21 21 LYS CD C 13 24.886 0.300 . 1 . . . A 21 LYS CD . 11472 1 200 . 1 1 21 21 LYS CE C 13 42.163 0.300 . 1 . . . A 21 LYS CE . 11472 1 201 . 1 1 21 21 LYS N N 15 120.850 0.300 . 1 . . . A 21 LYS N . 11472 1 202 . 1 1 22 22 ALA H H 1 7.970 0.030 . 1 . . . A 22 ALA H . 11472 1 203 . 1 1 22 22 ALA HA H 1 4.166 0.030 . 1 . . . A 22 ALA HA . 11472 1 204 . 1 1 22 22 ALA HB1 H 1 1.418 0.030 . 1 . . . A 22 ALA HB1 . 11472 1 205 . 1 1 22 22 ALA HB2 H 1 1.418 0.030 . 1 . . . A 22 ALA HB2 . 11472 1 206 . 1 1 22 22 ALA HB3 H 1 1.418 0.030 . 1 . . . A 22 ALA HB3 . 11472 1 207 . 1 1 22 22 ALA C C 13 178.301 0.300 . 1 . . . A 22 ALA C . 11472 1 208 . 1 1 22 22 ALA CA C 13 53.632 0.300 . 1 . . . A 22 ALA CA . 11472 1 209 . 1 1 22 22 ALA CB C 13 18.821 0.300 . 1 . . . A 22 ALA CB . 11472 1 210 . 1 1 22 22 ALA N N 15 122.892 0.300 . 1 . . . A 22 ALA N . 11472 1 211 . 1 1 23 23 ALA H H 1 8.010 0.030 . 1 . . . A 23 ALA H . 11472 1 212 . 1 1 23 23 ALA HA H 1 4.262 0.030 . 1 . . . A 23 ALA HA . 11472 1 213 . 1 1 23 23 ALA HB1 H 1 1.425 0.030 . 1 . . . A 23 ALA HB1 . 11472 1 214 . 1 1 23 23 ALA HB2 H 1 1.425 0.030 . 1 . . . A 23 ALA HB2 . 11472 1 215 . 1 1 23 23 ALA HB3 H 1 1.425 0.030 . 1 . . . A 23 ALA HB3 . 11472 1 216 . 1 1 23 23 ALA C C 13 178.210 0.300 . 1 . . . A 23 ALA C . 11472 1 217 . 1 1 23 23 ALA CA C 13 53.086 0.300 . 1 . . . A 23 ALA CA . 11472 1 218 . 1 1 23 23 ALA CB C 13 18.618 0.300 . 1 . . . A 23 ALA CB . 11472 1 219 . 1 1 23 23 ALA N N 15 121.388 0.300 . 1 . . . A 23 ALA N . 11472 1 220 . 1 1 24 24 SER H H 1 8.020 0.030 . 1 . . . A 24 SER H . 11472 1 221 . 1 1 24 24 SER HA H 1 4.410 0.030 . 1 . . . A 24 SER HA . 11472 1 222 . 1 1 24 24 SER HB2 H 1 3.918 0.030 . 2 . . . A 24 SER HB2 . 11472 1 223 . 1 1 24 24 SER HB3 H 1 3.922 0.030 . 2 . . . A 24 SER HB3 . 11472 1 224 . 1 1 24 24 SER C C 13 174.699 0.300 . 1 . . . A 24 SER C . 11472 1 225 . 1 1 24 24 SER CA C 13 58.697 0.300 . 1 . . . A 24 SER CA . 11472 1 226 . 1 1 24 24 SER CB C 13 63.820 0.300 . 1 . . . A 24 SER CB . 11472 1 227 . 1 1 24 24 SER N N 15 114.170 0.300 . 1 . . . A 24 SER N . 11472 1 228 . 1 1 25 25 ARG H H 1 8.180 0.030 . 1 . . . A 25 ARG H . 11472 1 229 . 1 1 25 25 ARG HA H 1 4.339 0.030 . 1 . . . A 25 ARG HA . 11472 1 230 . 1 1 25 25 ARG HB2 H 1 1.890 0.030 . 2 . . . A 25 ARG HB2 . 11472 1 231 . 1 1 25 25 ARG HB3 H 1 1.790 0.030 . 2 . . . A 25 ARG HB3 . 11472 1 232 . 1 1 25 25 ARG HG2 H 1 1.688 0.030 . 2 . . . A 25 ARG HG2 . 11472 1 233 . 1 1 25 25 ARG HG3 H 1 1.627 0.030 . 2 . . . A 25 ARG HG3 . 11472 1 234 . 1 1 25 25 ARG HD2 H 1 3.159 0.030 . 2 . . . A 25 ARG HD2 . 11472 1 235 . 1 1 25 25 ARG HD3 H 1 3.159 0.030 . 2 . . . A 25 ARG HD3 . 11472 1 236 . 1 1 25 25 ARG C C 13 176.857 0.300 . 1 . . . A 25 ARG C . 11472 1 237 . 1 1 25 25 ARG CA C 13 56.453 0.300 . 1 . . . A 25 ARG CA . 11472 1 238 . 1 1 25 25 ARG CB C 13 30.762 0.300 . 1 . . . A 25 ARG CB . 11472 1 239 . 1 1 25 25 ARG CG C 13 27.160 0.300 . 1 . . . A 25 ARG CG . 11472 1 240 . 1 1 25 25 ARG CD C 13 43.298 0.300 . 1 . . . A 25 ARG CD . 11472 1 241 . 1 1 25 25 ARG N N 15 122.324 0.300 . 1 . . . A 25 ARG N . 11472 1 242 . 1 1 26 26 GLY H H 1 8.450 0.030 . 1 . . . A 26 GLY H . 11472 1 243 . 1 1 26 26 GLY HA2 H 1 3.950 0.030 . 2 . . . A 26 GLY HA2 . 11472 1 244 . 1 1 26 26 GLY HA3 H 1 3.950 0.030 . 2 . . . A 26 GLY HA3 . 11472 1 245 . 1 1 26 26 GLY C C 13 173.905 0.300 . 1 . . . A 26 GLY C . 11472 1 246 . 1 1 26 26 GLY CA C 13 45.397 0.300 . 1 . . . A 26 GLY CA . 11472 1 247 . 1 1 26 26 GLY N N 15 109.428 0.300 . 1 . . . A 26 GLY N . 11472 1 248 . 1 1 27 27 ASN H H 1 8.490 0.030 . 1 . . . A 27 ASN H . 11472 1 249 . 1 1 27 27 ASN HA H 1 4.747 0.030 . 1 . . . A 27 ASN HA . 11472 1 250 . 1 1 27 27 ASN HB2 H 1 2.842 0.030 . 2 . . . A 27 ASN HB2 . 11472 1 251 . 1 1 27 27 ASN HB3 H 1 2.769 0.030 . 2 . . . A 27 ASN HB3 . 11472 1 252 . 1 1 27 27 ASN HD21 H 1 7.710 0.030 . 2 . . . A 27 ASN HD21 . 11472 1 253 . 1 1 27 27 ASN HD22 H 1 6.970 0.030 . 2 . . . A 27 ASN HD22 . 11472 1 254 . 1 1 27 27 ASN C C 13 175.609 0.300 . 1 . . . A 27 ASN C . 11472 1 255 . 1 1 27 27 ASN CA C 13 53.297 0.300 . 1 . . . A 27 ASN CA . 11472 1 256 . 1 1 27 27 ASN CB C 13 39.106 0.300 . 1 . . . A 27 ASN CB . 11472 1 257 . 1 1 27 27 ASN N N 15 118.776 0.300 . 1 . . . A 27 ASN N . 11472 1 258 . 1 1 27 27 ASN ND2 N 15 113.216 0.300 . 1 . . . A 27 ASN ND2 . 11472 1 259 . 1 1 28 28 GLY H H 1 8.478 0.030 . 1 . . . A 28 GLY H . 11472 1 260 . 1 1 28 28 GLY HA2 H 1 3.950 0.030 . 2 . . . A 28 GLY HA2 . 11472 1 261 . 1 1 28 28 GLY HA3 H 1 3.870 0.030 . 2 . . . A 28 GLY HA3 . 11472 1 262 . 1 1 28 28 GLY C C 13 173.320 0.300 . 1 . . . A 28 GLY C . 11472 1 263 . 1 1 28 28 GLY CA C 13 45.270 0.300 . 1 . . . A 28 GLY CA . 11472 1 264 . 1 1 28 28 GLY N N 15 109.396 0.300 . 1 . . . A 28 GLY N . 11472 1 265 . 1 1 29 29 GLU H H 1 8.325 0.030 . 1 . . . A 29 GLU H . 11472 1 266 . 1 1 29 29 GLU HA H 1 4.407 0.030 . 1 . . . A 29 GLU HA . 11472 1 267 . 1 1 29 29 GLU HB2 H 1 1.988 0.030 . 2 . . . A 29 GLU HB2 . 11472 1 268 . 1 1 29 29 GLU HB3 H 1 1.867 0.030 . 2 . . . A 29 GLU HB3 . 11472 1 269 . 1 1 29 29 GLU HG2 H 1 2.199 0.030 . 2 . . . A 29 GLU HG2 . 11472 1 270 . 1 1 29 29 GLU HG3 H 1 2.130 0.030 . 2 . . . A 29 GLU HG3 . 11472 1 271 . 1 1 29 29 GLU C C 13 174.972 0.300 . 1 . . . A 29 GLU C . 11472 1 272 . 1 1 29 29 GLU CA C 13 55.975 0.300 . 1 . . . A 29 GLU CA . 11472 1 273 . 1 1 29 29 GLU CB C 13 31.121 0.300 . 1 . . . A 29 GLU CB . 11472 1 274 . 1 1 29 29 GLU CG C 13 36.408 0.300 . 1 . . . A 29 GLU CG . 11472 1 275 . 1 1 29 29 GLU N N 15 120.119 0.300 . 1 . . . A 29 GLU N . 11472 1 276 . 1 1 30 30 TYR H H 1 8.044 0.030 . 1 . . . A 30 TYR H . 11472 1 277 . 1 1 30 30 TYR HA H 1 4.824 0.030 . 1 . . . A 30 TYR HA . 11472 1 278 . 1 1 30 30 TYR HB2 H 1 2.544 0.030 . 2 . . . A 30 TYR HB2 . 11472 1 279 . 1 1 30 30 TYR HB3 H 1 2.479 0.030 . 2 . . . A 30 TYR HB3 . 11472 1 280 . 1 1 30 30 TYR HD1 H 1 6.731 0.030 . 3 . . . A 30 TYR HD1 . 11472 1 281 . 1 1 30 30 TYR HD2 H 1 6.731 0.030 . 3 . . . A 30 TYR HD2 . 11472 1 282 . 1 1 30 30 TYR HE1 H 1 6.680 0.030 . 3 . . . A 30 TYR HE1 . 11472 1 283 . 1 1 30 30 TYR HE2 H 1 6.680 0.030 . 3 . . . A 30 TYR HE2 . 11472 1 284 . 1 1 30 30 TYR C C 13 174.686 0.300 . 1 . . . A 30 TYR C . 11472 1 285 . 1 1 30 30 TYR CA C 13 57.514 0.300 . 1 . . . A 30 TYR CA . 11472 1 286 . 1 1 30 30 TYR CB C 13 41.116 0.300 . 1 . . . A 30 TYR CB . 11472 1 287 . 1 1 30 30 TYR CD1 C 13 133.109 0.300 . 3 . . . A 30 TYR CD1 . 11472 1 288 . 1 1 30 30 TYR CD2 C 13 133.109 0.300 . 3 . . . A 30 TYR CD2 . 11472 1 289 . 1 1 30 30 TYR CE1 C 13 117.942 0.300 . 3 . . . A 30 TYR CE1 . 11472 1 290 . 1 1 30 30 TYR CE2 C 13 117.942 0.300 . 3 . . . A 30 TYR CE2 . 11472 1 291 . 1 1 30 30 TYR N N 15 118.951 0.300 . 1 . . . A 30 TYR N . 11472 1 292 . 1 1 31 31 ALA H H 1 9.027 0.030 . 1 . . . A 31 ALA H . 11472 1 293 . 1 1 31 31 ALA HA H 1 4.599 0.030 . 1 . . . A 31 ALA HA . 11472 1 294 . 1 1 31 31 ALA HB1 H 1 1.170 0.030 . 1 . . . A 31 ALA HB1 . 11472 1 295 . 1 1 31 31 ALA HB2 H 1 1.170 0.030 . 1 . . . A 31 ALA HB2 . 11472 1 296 . 1 1 31 31 ALA HB3 H 1 1.170 0.030 . 1 . . . A 31 ALA HB3 . 11472 1 297 . 1 1 31 31 ALA C C 13 174.074 0.300 . 1 . . . A 31 ALA C . 11472 1 298 . 1 1 31 31 ALA CA C 13 50.833 0.300 . 1 . . . A 31 ALA CA . 11472 1 299 . 1 1 31 31 ALA CB C 13 23.015 0.300 . 1 . . . A 31 ALA CB . 11472 1 300 . 1 1 31 31 ALA N N 15 124.239 0.300 . 1 . . . A 31 ALA N . 11472 1 301 . 1 1 32 32 TRP H H 1 8.617 0.030 . 1 . . . A 32 TRP H . 11472 1 302 . 1 1 32 32 TRP HA H 1 5.319 0.030 . 1 . . . A 32 TRP HA . 11472 1 303 . 1 1 32 32 TRP HB2 H 1 3.267 0.030 . 2 . . . A 32 TRP HB2 . 11472 1 304 . 1 1 32 32 TRP HB3 H 1 2.838 0.030 . 2 . . . A 32 TRP HB3 . 11472 1 305 . 1 1 32 32 TRP HD1 H 1 7.157 0.030 . 1 . . . A 32 TRP HD1 . 11472 1 306 . 1 1 32 32 TRP HE1 H 1 10.758 0.030 . 1 . . . A 32 TRP HE1 . 11472 1 307 . 1 1 32 32 TRP HE3 H 1 6.702 0.030 . 1 . . . A 32 TRP HE3 . 11472 1 308 . 1 1 32 32 TRP HZ2 H 1 6.791 0.030 . 1 . . . A 32 TRP HZ2 . 11472 1 309 . 1 1 32 32 TRP HZ3 H 1 7.272 0.030 . 1 . . . A 32 TRP HZ3 . 11472 1 310 . 1 1 32 32 TRP HH2 H 1 6.596 0.030 . 1 . . . A 32 TRP HH2 . 11472 1 311 . 1 1 32 32 TRP C C 13 175.544 0.300 . 1 . . . A 32 TRP C . 11472 1 312 . 1 1 32 32 TRP CA C 13 56.521 0.300 . 1 . . . A 32 TRP CA . 11472 1 313 . 1 1 32 32 TRP CB C 13 31.967 0.300 . 1 . . . A 32 TRP CB . 11472 1 314 . 1 1 32 32 TRP CD1 C 13 126.007 0.300 . 1 . . . A 32 TRP CD1 . 11472 1 315 . 1 1 32 32 TRP CE3 C 13 119.960 0.300 . 1 . . . A 32 TRP CE3 . 11472 1 316 . 1 1 32 32 TRP CZ2 C 13 114.012 0.300 . 1 . . . A 32 TRP CZ2 . 11472 1 317 . 1 1 32 32 TRP CZ3 C 13 120.401 0.300 . 1 . . . A 32 TRP CZ3 . 11472 1 318 . 1 1 32 32 TRP CH2 C 13 122.495 0.300 . 1 . . . A 32 TRP CH2 . 11472 1 319 . 1 1 32 32 TRP N N 15 120.133 0.300 . 1 . . . A 32 TRP N . 11472 1 320 . 1 1 32 32 TRP NE1 N 15 129.637 0.300 . 1 . . . A 32 TRP NE1 . 11472 1 321 . 1 1 33 33 TYR H H 1 9.681 0.030 . 1 . . . A 33 TYR H . 11472 1 322 . 1 1 33 33 TYR HA H 1 5.710 0.030 . 1 . . . A 33 TYR HA . 11472 1 323 . 1 1 33 33 TYR HB2 H 1 3.020 0.030 . 2 . . . A 33 TYR HB2 . 11472 1 324 . 1 1 33 33 TYR HB3 H 1 2.447 0.030 . 2 . . . A 33 TYR HB3 . 11472 1 325 . 1 1 33 33 TYR HD1 H 1 6.597 0.030 . 3 . . . A 33 TYR HD1 . 11472 1 326 . 1 1 33 33 TYR HD2 H 1 6.597 0.030 . 3 . . . A 33 TYR HD2 . 11472 1 327 . 1 1 33 33 TYR HE1 H 1 6.512 0.030 . 3 . . . A 33 TYR HE1 . 11472 1 328 . 1 1 33 33 TYR HE2 H 1 6.512 0.030 . 3 . . . A 33 TYR HE2 . 11472 1 329 . 1 1 33 33 TYR C C 13 174.595 0.300 . 1 . . . A 33 TYR C . 11472 1 330 . 1 1 33 33 TYR CA C 13 56.120 0.300 . 1 . . . A 33 TYR CA . 11472 1 331 . 1 1 33 33 TYR CB C 13 44.098 0.300 . 1 . . . A 33 TYR CB . 11472 1 332 . 1 1 33 33 TYR CD1 C 13 132.777 0.300 . 3 . . . A 33 TYR CD1 . 11472 1 333 . 1 1 33 33 TYR CD2 C 13 132.777 0.300 . 3 . . . A 33 TYR CD2 . 11472 1 334 . 1 1 33 33 TYR CE1 C 13 118.298 0.300 . 3 . . . A 33 TYR CE1 . 11472 1 335 . 1 1 33 33 TYR CE2 C 13 118.298 0.300 . 3 . . . A 33 TYR CE2 . 11472 1 336 . 1 1 33 33 TYR N N 15 120.408 0.300 . 1 . . . A 33 TYR N . 11472 1 337 . 1 1 34 34 TYR H H 1 9.433 0.030 . 1 . . . A 34 TYR H . 11472 1 338 . 1 1 34 34 TYR HA H 1 6.063 0.030 . 1 . . . A 34 TYR HA . 11472 1 339 . 1 1 34 34 TYR HB2 H 1 3.026 0.030 . 2 . . . A 34 TYR HB2 . 11472 1 340 . 1 1 34 34 TYR HB3 H 1 2.531 0.030 . 2 . . . A 34 TYR HB3 . 11472 1 341 . 1 1 34 34 TYR HD1 H 1 5.903 0.030 . 3 . . . A 34 TYR HD1 . 11472 1 342 . 1 1 34 34 TYR HD2 H 1 5.903 0.030 . 3 . . . A 34 TYR HD2 . 11472 1 343 . 1 1 34 34 TYR HE1 H 1 5.753 0.030 . 3 . . . A 34 TYR HE1 . 11472 1 344 . 1 1 34 34 TYR HE2 H 1 5.753 0.030 . 3 . . . A 34 TYR HE2 . 11472 1 345 . 1 1 34 34 TYR C C 13 174.491 0.300 . 1 . . . A 34 TYR C . 11472 1 346 . 1 1 34 34 TYR CA C 13 54.834 0.300 . 1 . . . A 34 TYR CA . 11472 1 347 . 1 1 34 34 TYR CB C 13 41.072 0.300 . 1 . . . A 34 TYR CB . 11472 1 348 . 1 1 34 34 TYR CD1 C 13 133.388 0.300 . 3 . . . A 34 TYR CD1 . 11472 1 349 . 1 1 34 34 TYR CD2 C 13 133.388 0.300 . 3 . . . A 34 TYR CD2 . 11472 1 350 . 1 1 34 34 TYR CE1 C 13 116.203 0.300 . 3 . . . A 34 TYR CE1 . 11472 1 351 . 1 1 34 34 TYR CE2 C 13 116.203 0.300 . 3 . . . A 34 TYR CE2 . 11472 1 352 . 1 1 34 34 TYR N N 15 116.334 0.300 . 1 . . . A 34 TYR N . 11472 1 353 . 1 1 35 35 GLU H H 1 8.587 0.030 . 1 . . . A 35 GLU H . 11472 1 354 . 1 1 35 35 GLU HA H 1 3.322 0.030 . 1 . . . A 35 GLU HA . 11472 1 355 . 1 1 35 35 GLU HB2 H 1 1.770 0.030 . 2 . . . A 35 GLU HB2 . 11472 1 356 . 1 1 35 35 GLU HB3 H 1 0.976 0.030 . 2 . . . A 35 GLU HB3 . 11472 1 357 . 1 1 35 35 GLU HG2 H 1 1.784 0.030 . 2 . . . A 35 GLU HG2 . 11472 1 358 . 1 1 35 35 GLU HG3 H 1 1.264 0.030 . 2 . . . A 35 GLU HG3 . 11472 1 359 . 1 1 35 35 GLU C C 13 175.791 0.300 . 1 . . . A 35 GLU C . 11472 1 360 . 1 1 35 35 GLU CA C 13 56.902 0.300 . 1 . . . A 35 GLU CA . 11472 1 361 . 1 1 35 35 GLU CB C 13 30.632 0.300 . 1 . . . A 35 GLU CB . 11472 1 362 . 1 1 35 35 GLU CG C 13 35.724 0.300 . 1 . . . A 35 GLU CG . 11472 1 363 . 1 1 35 35 GLU N N 15 123.270 0.300 . 1 . . . A 35 GLU N . 11472 1 364 . 1 1 36 36 GLY H H 1 8.071 0.030 . 1 . . . A 36 GLY H . 11472 1 365 . 1 1 36 36 GLY HA2 H 1 4.210 0.030 . 2 . . . A 36 GLY HA2 . 11472 1 366 . 1 1 36 36 GLY HA3 H 1 3.407 0.030 . 2 . . . A 36 GLY HA3 . 11472 1 367 . 1 1 36 36 GLY C C 13 173.736 0.300 . 1 . . . A 36 GLY C . 11472 1 368 . 1 1 36 36 GLY CA C 13 43.782 0.300 . 1 . . . A 36 GLY CA . 11472 1 369 . 1 1 36 36 GLY N N 15 114.685 0.300 . 1 . . . A 36 GLY N . 11472 1 370 . 1 1 37 37 ARG H H 1 8.512 0.030 . 1 . . . A 37 ARG H . 11472 1 371 . 1 1 37 37 ARG HA H 1 3.936 0.030 . 1 . . . A 37 ARG HA . 11472 1 372 . 1 1 37 37 ARG HB2 H 1 1.760 0.030 . 2 . . . A 37 ARG HB2 . 11472 1 373 . 1 1 37 37 ARG HB3 H 1 1.710 0.030 . 2 . . . A 37 ARG HB3 . 11472 1 374 . 1 1 37 37 ARG HG2 H 1 1.551 0.030 . 2 . . . A 37 ARG HG2 . 11472 1 375 . 1 1 37 37 ARG HG3 H 1 1.551 0.030 . 2 . . . A 37 ARG HG3 . 11472 1 376 . 1 1 37 37 ARG HD2 H 1 3.121 0.030 . 2 . . . A 37 ARG HD2 . 11472 1 377 . 1 1 37 37 ARG HD3 H 1 3.121 0.030 . 2 . . . A 37 ARG HD3 . 11472 1 378 . 1 1 37 37 ARG C C 13 176.951 0.300 . 1 . . . A 37 ARG C . 11472 1 379 . 1 1 37 37 ARG CA C 13 58.445 0.300 . 1 . . . A 37 ARG CA . 11472 1 380 . 1 1 37 37 ARG CB C 13 29.953 0.300 . 1 . . . A 37 ARG CB . 11472 1 381 . 1 1 37 37 ARG CG C 13 27.256 0.300 . 1 . . . A 37 ARG CG . 11472 1 382 . 1 1 37 37 ARG CD C 13 43.082 0.300 . 1 . . . A 37 ARG CD . 11472 1 383 . 1 1 37 37 ARG N N 15 115.981 0.300 . 1 . . . A 37 ARG N . 11472 1 384 . 1 1 38 38 ASN H H 1 8.793 0.030 . 1 . . . A 38 ASN H . 11472 1 385 . 1 1 38 38 ASN HA H 1 4.678 0.030 . 1 . . . A 38 ASN HA . 11472 1 386 . 1 1 38 38 ASN HB2 H 1 2.871 0.030 . 2 . . . A 38 ASN HB2 . 11472 1 387 . 1 1 38 38 ASN HB3 H 1 2.681 0.030 . 2 . . . A 38 ASN HB3 . 11472 1 388 . 1 1 38 38 ASN HD21 H 1 7.784 0.030 . 2 . . . A 38 ASN HD21 . 11472 1 389 . 1 1 38 38 ASN HD22 H 1 6.970 0.030 . 2 . . . A 38 ASN HD22 . 11472 1 390 . 1 1 38 38 ASN C C 13 173.996 0.300 . 1 . . . A 38 ASN C . 11472 1 391 . 1 1 38 38 ASN CA C 13 52.936 0.300 . 1 . . . A 38 ASN CA . 11472 1 392 . 1 1 38 38 ASN CB C 13 38.894 0.300 . 1 . . . A 38 ASN CB . 11472 1 393 . 1 1 38 38 ASN N N 15 115.739 0.300 . 1 . . . A 38 ASN N . 11472 1 394 . 1 1 38 38 ASN ND2 N 15 114.118 0.300 . 1 . . . A 38 ASN ND2 . 11472 1 395 . 1 1 39 39 GLY H H 1 7.234 0.030 . 1 . . . A 39 GLY H . 11472 1 396 . 1 1 39 39 GLY HA2 H 1 4.023 0.030 . 2 . . . A 39 GLY HA2 . 11472 1 397 . 1 1 39 39 GLY HA3 H 1 3.504 0.030 . 2 . . . A 39 GLY HA3 . 11472 1 398 . 1 1 39 39 GLY C C 13 172.046 0.300 . 1 . . . A 39 GLY C . 11472 1 399 . 1 1 39 39 GLY CA C 13 44.526 0.300 . 1 . . . A 39 GLY CA . 11472 1 400 . 1 1 39 39 GLY N N 15 107.439 0.300 . 1 . . . A 39 GLY N . 11472 1 401 . 1 1 40 40 TRP H H 1 8.202 0.030 . 1 . . . A 40 TRP H . 11472 1 402 . 1 1 40 40 TRP HA H 1 4.666 0.030 . 1 . . . A 40 TRP HA . 11472 1 403 . 1 1 40 40 TRP HB2 H 1 2.670 0.030 . 2 . . . A 40 TRP HB2 . 11472 1 404 . 1 1 40 40 TRP HB3 H 1 2.641 0.030 . 2 . . . A 40 TRP HB3 . 11472 1 405 . 1 1 40 40 TRP HD1 H 1 7.028 0.030 . 1 . . . A 40 TRP HD1 . 11472 1 406 . 1 1 40 40 TRP HE1 H 1 10.029 0.030 . 1 . . . A 40 TRP HE1 . 11472 1 407 . 1 1 40 40 TRP HE3 H 1 7.058 0.030 . 1 . . . A 40 TRP HE3 . 11472 1 408 . 1 1 40 40 TRP HZ2 H 1 7.370 0.030 . 1 . . . A 40 TRP HZ2 . 11472 1 409 . 1 1 40 40 TRP HZ3 H 1 6.792 0.030 . 1 . . . A 40 TRP HZ3 . 11472 1 410 . 1 1 40 40 TRP HH2 H 1 6.880 0.030 . 1 . . . A 40 TRP HH2 . 11472 1 411 . 1 1 40 40 TRP C C 13 176.051 0.300 . 1 . . . A 40 TRP C . 11472 1 412 . 1 1 40 40 TRP CA C 13 56.464 0.300 . 1 . . . A 40 TRP CA . 11472 1 413 . 1 1 40 40 TRP CB C 13 31.008 0.300 . 1 . . . A 40 TRP CB . 11472 1 414 . 1 1 40 40 TRP CD1 C 13 127.327 0.300 . 1 . . . A 40 TRP CD1 . 11472 1 415 . 1 1 40 40 TRP CE3 C 13 119.326 0.300 . 1 . . . A 40 TRP CE3 . 11472 1 416 . 1 1 40 40 TRP CZ2 C 13 114.876 0.300 . 1 . . . A 40 TRP CZ2 . 11472 1 417 . 1 1 40 40 TRP CZ3 C 13 122.221 0.300 . 1 . . . A 40 TRP CZ3 . 11472 1 418 . 1 1 40 40 TRP CH2 C 13 124.021 0.300 . 1 . . . A 40 TRP CH2 . 11472 1 419 . 1 1 40 40 TRP N N 15 120.036 0.300 . 1 . . . A 40 TRP N . 11472 1 420 . 1 1 40 40 TRP NE1 N 15 129.478 0.300 . 1 . . . A 40 TRP NE1 . 11472 1 421 . 1 1 41 41 TRP H H 1 9.197 0.030 . 1 . . . A 41 TRP H . 11472 1 422 . 1 1 41 41 TRP HA H 1 4.686 0.030 . 1 . . . A 41 TRP HA . 11472 1 423 . 1 1 41 41 TRP HB2 H 1 1.592 0.030 . 2 . . . A 41 TRP HB2 . 11472 1 424 . 1 1 41 41 TRP HB3 H 1 2.667 0.030 . 2 . . . A 41 TRP HB3 . 11472 1 425 . 1 1 41 41 TRP HD1 H 1 6.663 0.030 . 1 . . . A 41 TRP HD1 . 11472 1 426 . 1 1 41 41 TRP HE1 H 1 10.101 0.030 . 1 . . . A 41 TRP HE1 . 11472 1 427 . 1 1 41 41 TRP HE3 H 1 7.030 0.030 . 1 . . . A 41 TRP HE3 . 11472 1 428 . 1 1 41 41 TRP HZ2 H 1 7.350 0.030 . 1 . . . A 41 TRP HZ2 . 11472 1 429 . 1 1 41 41 TRP HZ3 H 1 7.623 0.030 . 1 . . . A 41 TRP HZ3 . 11472 1 430 . 1 1 41 41 TRP HH2 H 1 7.091 0.030 . 1 . . . A 41 TRP HH2 . 11472 1 431 . 1 1 41 41 TRP C C 13 174.048 0.300 . 1 . . . A 41 TRP C . 11472 1 432 . 1 1 41 41 TRP CA C 13 55.017 0.300 . 1 . . . A 41 TRP CA . 11472 1 433 . 1 1 41 41 TRP CB C 13 31.256 0.300 . 1 . . . A 41 TRP CB . 11472 1 434 . 1 1 41 41 TRP CD1 C 13 126.655 0.300 . 1 . . . A 41 TRP CD1 . 11472 1 435 . 1 1 41 41 TRP CE3 C 13 121.556 0.300 . 1 . . . A 41 TRP CE3 . 11472 1 436 . 1 1 41 41 TRP CZ2 C 13 114.231 0.300 . 1 . . . A 41 TRP CZ2 . 11472 1 437 . 1 1 41 41 TRP CZ3 C 13 120.998 0.300 . 1 . . . A 41 TRP CZ3 . 11472 1 438 . 1 1 41 41 TRP CH2 C 13 124.193 0.300 . 1 . . . A 41 TRP CH2 . 11472 1 439 . 1 1 41 41 TRP N N 15 124.980 0.300 . 1 . . . A 41 TRP N . 11472 1 440 . 1 1 41 41 TRP NE1 N 15 129.103 0.300 . 1 . . . A 41 TRP NE1 . 11472 1 441 . 1 1 42 42 GLN H H 1 8.940 0.030 . 1 . . . A 42 GLN H . 11472 1 442 . 1 1 42 42 GLN HA H 1 4.358 0.030 . 1 . . . A 42 GLN HA . 11472 1 443 . 1 1 42 42 GLN HB2 H 1 1.929 0.030 . 2 . . . A 42 GLN HB2 . 11472 1 444 . 1 1 42 42 GLN HB3 H 1 1.788 0.030 . 2 . . . A 42 GLN HB3 . 11472 1 445 . 1 1 42 42 GLN HG2 H 1 2.878 0.030 . 2 . . . A 42 GLN HG2 . 11472 1 446 . 1 1 42 42 GLN HG3 H 1 1.939 0.030 . 2 . . . A 42 GLN HG3 . 11472 1 447 . 1 1 42 42 GLN HE21 H 1 6.821 0.030 . 2 . . . A 42 GLN HE21 . 11472 1 448 . 1 1 42 42 GLN HE22 H 1 7.790 0.030 . 2 . . . A 42 GLN HE22 . 11472 1 449 . 1 1 42 42 GLN C C 13 177.924 0.300 . 1 . . . A 42 GLN C . 11472 1 450 . 1 1 42 42 GLN CA C 13 56.280 0.300 . 1 . . . A 42 GLN CA . 11472 1 451 . 1 1 42 42 GLN CB C 13 29.222 0.300 . 1 . . . A 42 GLN CB . 11472 1 452 . 1 1 42 42 GLN CG C 13 33.460 0.300 . 1 . . . A 42 GLN CG . 11472 1 453 . 1 1 42 42 GLN N N 15 123.836 0.300 . 1 . . . A 42 GLN N . 11472 1 454 . 1 1 42 42 GLN NE2 N 15 110.898 0.300 . 1 . . . A 42 GLN NE2 . 11472 1 455 . 1 1 43 43 TYR H H 1 8.688 0.030 . 1 . . . A 43 TYR H . 11472 1 456 . 1 1 43 43 TYR HA H 1 4.594 0.030 . 1 . . . A 43 TYR HA . 11472 1 457 . 1 1 43 43 TYR HB2 H 1 3.150 0.030 . 2 . . . A 43 TYR HB2 . 11472 1 458 . 1 1 43 43 TYR HB3 H 1 2.835 0.030 . 2 . . . A 43 TYR HB3 . 11472 1 459 . 1 1 43 43 TYR HD1 H 1 7.229 0.030 . 3 . . . A 43 TYR HD1 . 11472 1 460 . 1 1 43 43 TYR HD2 H 1 7.229 0.030 . 3 . . . A 43 TYR HD2 . 11472 1 461 . 1 1 43 43 TYR HE1 H 1 6.676 0.030 . 3 . . . A 43 TYR HE1 . 11472 1 462 . 1 1 43 43 TYR HE2 H 1 6.676 0.030 . 3 . . . A 43 TYR HE2 . 11472 1 463 . 1 1 43 43 TYR C C 13 176.545 0.300 . 1 . . . A 43 TYR C . 11472 1 464 . 1 1 43 43 TYR CA C 13 61.409 0.300 . 1 . . . A 43 TYR CA . 11472 1 465 . 1 1 43 43 TYR CB C 13 40.118 0.300 . 1 . . . A 43 TYR CB . 11472 1 466 . 1 1 43 43 TYR CD1 C 13 132.880 0.300 . 3 . . . A 43 TYR CD1 . 11472 1 467 . 1 1 43 43 TYR CD2 C 13 132.880 0.300 . 3 . . . A 43 TYR CD2 . 11472 1 468 . 1 1 43 43 TYR CE1 C 13 117.929 0.300 . 3 . . . A 43 TYR CE1 . 11472 1 469 . 1 1 43 43 TYR CE2 C 13 117.929 0.300 . 3 . . . A 43 TYR CE2 . 11472 1 470 . 1 1 43 43 TYR N N 15 126.681 0.300 . 1 . . . A 43 TYR N . 11472 1 471 . 1 1 44 44 ASP H H 1 8.790 0.030 . 1 . . . A 44 ASP H . 11472 1 472 . 1 1 44 44 ASP HA H 1 4.600 0.030 . 1 . . . A 44 ASP HA . 11472 1 473 . 1 1 44 44 ASP HB2 H 1 3.229 0.030 . 2 . . . A 44 ASP HB2 . 11472 1 474 . 1 1 44 44 ASP HB3 H 1 2.913 0.030 . 2 . . . A 44 ASP HB3 . 11472 1 475 . 1 1 44 44 ASP C C 13 176.493 0.300 . 1 . . . A 44 ASP C . 11472 1 476 . 1 1 44 44 ASP CA C 13 53.749 0.300 . 1 . . . A 44 ASP CA . 11472 1 477 . 1 1 44 44 ASP CB C 13 41.246 0.300 . 1 . . . A 44 ASP CB . 11472 1 478 . 1 1 44 44 ASP N N 15 118.526 0.300 . 1 . . . A 44 ASP N . 11472 1 479 . 1 1 45 45 GLU H H 1 9.099 0.030 . 1 . . . A 45 GLU H . 11472 1 480 . 1 1 45 45 GLU HA H 1 4.016 0.030 . 1 . . . A 45 GLU HA . 11472 1 481 . 1 1 45 45 GLU HB2 H 1 2.138 0.030 . 2 . . . A 45 GLU HB2 . 11472 1 482 . 1 1 45 45 GLU HB3 H 1 2.060 0.030 . 2 . . . A 45 GLU HB3 . 11472 1 483 . 1 1 45 45 GLU HG2 H 1 2.390 0.030 . 2 . . . A 45 GLU HG2 . 11472 1 484 . 1 1 45 45 GLU HG3 H 1 2.295 0.030 . 2 . . . A 45 GLU HG3 . 11472 1 485 . 1 1 45 45 GLU C C 13 178.379 0.300 . 1 . . . A 45 GLU C . 11472 1 486 . 1 1 45 45 GLU CA C 13 60.529 0.300 . 1 . . . A 45 GLU CA . 11472 1 487 . 1 1 45 45 GLU CB C 13 29.778 0.300 . 1 . . . A 45 GLU CB . 11472 1 488 . 1 1 45 45 GLU CG C 13 36.247 0.300 . 1 . . . A 45 GLU CG . 11472 1 489 . 1 1 45 45 GLU N N 15 122.787 0.300 . 1 . . . A 45 GLU N . 11472 1 490 . 1 1 46 46 ARG H H 1 8.472 0.030 . 1 . . . A 46 ARG H . 11472 1 491 . 1 1 46 46 ARG HA H 1 3.993 0.030 . 1 . . . A 46 ARG HA . 11472 1 492 . 1 1 46 46 ARG HB2 H 1 1.912 0.030 . 2 . . . A 46 ARG HB2 . 11472 1 493 . 1 1 46 46 ARG HB3 H 1 1.912 0.030 . 2 . . . A 46 ARG HB3 . 11472 1 494 . 1 1 46 46 ARG HG2 H 1 1.688 0.030 . 2 . . . A 46 ARG HG2 . 11472 1 495 . 1 1 46 46 ARG HG3 H 1 1.629 0.030 . 2 . . . A 46 ARG HG3 . 11472 1 496 . 1 1 46 46 ARG HD2 H 1 3.232 0.030 . 2 . . . A 46 ARG HD2 . 11472 1 497 . 1 1 46 46 ARG HD3 H 1 3.173 0.030 . 2 . . . A 46 ARG HD3 . 11472 1 498 . 1 1 46 46 ARG C C 13 178.964 0.300 . 1 . . . A 46 ARG C . 11472 1 499 . 1 1 46 46 ARG CA C 13 59.626 0.300 . 1 . . . A 46 ARG CA . 11472 1 500 . 1 1 46 46 ARG CB C 13 29.673 0.300 . 1 . . . A 46 ARG CB . 11472 1 501 . 1 1 46 46 ARG CG C 13 27.133 0.300 . 1 . . . A 46 ARG CG . 11472 1 502 . 1 1 46 46 ARG CD C 13 43.300 0.300 . 1 . . . A 46 ARG CD . 11472 1 503 . 1 1 46 46 ARG N N 15 120.492 0.300 . 1 . . . A 46 ARG N . 11472 1 504 . 1 1 47 47 THR H H 1 8.783 0.030 . 1 . . . A 47 THR H . 11472 1 505 . 1 1 47 47 THR HA H 1 3.668 0.030 . 1 . . . A 47 THR HA . 11472 1 506 . 1 1 47 47 THR HB H 1 3.951 0.030 . 1 . . . A 47 THR HB . 11472 1 507 . 1 1 47 47 THR HG21 H 1 0.960 0.030 . 1 . . . A 47 THR HG21 . 11472 1 508 . 1 1 47 47 THR HG22 H 1 0.960 0.030 . 1 . . . A 47 THR HG22 . 11472 1 509 . 1 1 47 47 THR HG23 H 1 0.960 0.030 . 1 . . . A 47 THR HG23 . 11472 1 510 . 1 1 47 47 THR C C 13 176.363 0.300 . 1 . . . A 47 THR C . 11472 1 511 . 1 1 47 47 THR CA C 13 66.718 0.300 . 1 . . . A 47 THR CA . 11472 1 512 . 1 1 47 47 THR CB C 13 67.793 0.300 . 1 . . . A 47 THR CB . 11472 1 513 . 1 1 47 47 THR CG2 C 13 24.207 0.300 . 1 . . . A 47 THR CG2 . 11472 1 514 . 1 1 47 47 THR N N 15 118.290 0.300 . 1 . . . A 47 THR N . 11472 1 515 . 1 1 48 48 SER H H 1 8.634 0.030 . 1 . . . A 48 SER H . 11472 1 516 . 1 1 48 48 SER HA H 1 3.966 0.030 . 1 . . . A 48 SER HA . 11472 1 517 . 1 1 48 48 SER HB2 H 1 3.687 0.030 . 2 . . . A 48 SER HB2 . 11472 1 518 . 1 1 48 48 SER HB3 H 1 4.177 0.030 . 2 . . . A 48 SER HB3 . 11472 1 519 . 1 1 48 48 SER C C 13 174.647 0.300 . 1 . . . A 48 SER C . 11472 1 520 . 1 1 48 48 SER CA C 13 63.091 0.300 . 1 . . . A 48 SER CA . 11472 1 521 . 1 1 48 48 SER CB C 13 63.201 0.300 . 1 . . . A 48 SER CB . 11472 1 522 . 1 1 48 48 SER N N 15 116.663 0.300 . 1 . . . A 48 SER N . 11472 1 523 . 1 1 49 49 ARG H H 1 7.720 0.030 . 1 . . . A 49 ARG H . 11472 1 524 . 1 1 49 49 ARG HA H 1 4.055 0.030 . 1 . . . A 49 ARG HA . 11472 1 525 . 1 1 49 49 ARG HB2 H 1 1.978 0.030 . 2 . . . A 49 ARG HB2 . 11472 1 526 . 1 1 49 49 ARG HB3 H 1 1.929 0.030 . 2 . . . A 49 ARG HB3 . 11472 1 527 . 1 1 49 49 ARG HG2 H 1 1.856 0.030 . 2 . . . A 49 ARG HG2 . 11472 1 528 . 1 1 49 49 ARG HG3 H 1 1.678 0.030 . 2 . . . A 49 ARG HG3 . 11472 1 529 . 1 1 49 49 ARG HD2 H 1 3.246 0.030 . 2 . . . A 49 ARG HD2 . 11472 1 530 . 1 1 49 49 ARG HD3 H 1 3.191 0.030 . 2 . . . A 49 ARG HD3 . 11472 1 531 . 1 1 49 49 ARG C C 13 179.016 0.300 . 1 . . . A 49 ARG C . 11472 1 532 . 1 1 49 49 ARG CA C 13 59.362 0.300 . 1 . . . A 49 ARG CA . 11472 1 533 . 1 1 49 49 ARG CB C 13 29.995 0.300 . 1 . . . A 49 ARG CB . 11472 1 534 . 1 1 49 49 ARG CG C 13 27.718 0.300 . 1 . . . A 49 ARG CG . 11472 1 535 . 1 1 49 49 ARG CD C 13 43.595 0.300 . 1 . . . A 49 ARG CD . 11472 1 536 . 1 1 49 49 ARG N N 15 119.751 0.300 . 1 . . . A 49 ARG N . 11472 1 537 . 1 1 50 50 GLU H H 1 7.470 0.030 . 1 . . . A 50 GLU H . 11472 1 538 . 1 1 50 50 GLU HA H 1 4.005 0.030 . 1 . . . A 50 GLU HA . 11472 1 539 . 1 1 50 50 GLU HB2 H 1 2.105 0.030 . 2 . . . A 50 GLU HB2 . 11472 1 540 . 1 1 50 50 GLU HB3 H 1 1.911 0.030 . 2 . . . A 50 GLU HB3 . 11472 1 541 . 1 1 50 50 GLU HG2 H 1 2.297 0.030 . 2 . . . A 50 GLU HG2 . 11472 1 542 . 1 1 50 50 GLU HG3 H 1 2.297 0.030 . 2 . . . A 50 GLU HG3 . 11472 1 543 . 1 1 50 50 GLU C C 13 179.978 0.300 . 1 . . . A 50 GLU C . 11472 1 544 . 1 1 50 50 GLU CA C 13 59.091 0.300 . 1 . . . A 50 GLU CA . 11472 1 545 . 1 1 50 50 GLU CB C 13 28.800 0.300 . 1 . . . A 50 GLU CB . 11472 1 546 . 1 1 50 50 GLU CG C 13 35.868 0.300 . 1 . . . A 50 GLU CG . 11472 1 547 . 1 1 50 50 GLU N N 15 120.751 0.300 . 1 . . . A 50 GLU N . 11472 1 548 . 1 1 51 51 LEU H H 1 8.140 0.030 . 1 . . . A 51 LEU H . 11472 1 549 . 1 1 51 51 LEU HA H 1 3.246 0.030 . 1 . . . A 51 LEU HA . 11472 1 550 . 1 1 51 51 LEU HB2 H 1 0.202 0.030 . 2 . . . A 51 LEU HB2 . 11472 1 551 . 1 1 51 51 LEU HB3 H 1 -1.286 0.030 . 2 . . . A 51 LEU HB3 . 11472 1 552 . 1 1 51 51 LEU HG H 1 0.805 0.030 . 1 . . . A 51 LEU HG . 11472 1 553 . 1 1 51 51 LEU HD11 H 1 -0.020 0.030 . 2 . . . A 51 LEU HD11 . 11472 1 554 . 1 1 51 51 LEU HD12 H 1 -0.020 0.030 . 2 . . . A 51 LEU HD12 . 11472 1 555 . 1 1 51 51 LEU HD13 H 1 -0.020 0.030 . 2 . . . A 51 LEU HD13 . 11472 1 556 . 1 1 51 51 LEU HD21 H 1 -0.509 0.030 . 2 . . . A 51 LEU HD21 . 11472 1 557 . 1 1 51 51 LEU HD22 H 1 -0.509 0.030 . 2 . . . A 51 LEU HD22 . 11472 1 558 . 1 1 51 51 LEU HD23 H 1 -0.509 0.030 . 2 . . . A 51 LEU HD23 . 11472 1 559 . 1 1 51 51 LEU C C 13 177.637 0.300 . 1 . . . A 51 LEU C . 11472 1 560 . 1 1 51 51 LEU CA C 13 57.910 0.300 . 1 . . . A 51 LEU CA . 11472 1 561 . 1 1 51 51 LEU CB C 13 38.452 0.300 . 1 . . . A 51 LEU CB . 11472 1 562 . 1 1 51 51 LEU CG C 13 26.134 0.300 . 1 . . . A 51 LEU CG . 11472 1 563 . 1 1 51 51 LEU CD1 C 13 22.504 0.300 . 2 . . . A 51 LEU CD1 . 11472 1 564 . 1 1 51 51 LEU CD2 C 13 24.401 0.300 . 2 . . . A 51 LEU CD2 . 11472 1 565 . 1 1 51 51 LEU N N 15 122.818 0.300 . 1 . . . A 51 LEU N . 11472 1 566 . 1 1 52 52 GLU H H 1 7.992 0.030 . 1 . . . A 52 GLU H . 11472 1 567 . 1 1 52 52 GLU HA H 1 4.411 0.030 . 1 . . . A 52 GLU HA . 11472 1 568 . 1 1 52 52 GLU HB2 H 1 2.240 0.030 . 2 . . . A 52 GLU HB2 . 11472 1 569 . 1 1 52 52 GLU HB3 H 1 1.884 0.030 . 2 . . . A 52 GLU HB3 . 11472 1 570 . 1 1 52 52 GLU HG2 H 1 2.320 0.030 . 2 . . . A 52 GLU HG2 . 11472 1 571 . 1 1 52 52 GLU HG3 H 1 2.320 0.030 . 2 . . . A 52 GLU HG3 . 11472 1 572 . 1 1 52 52 GLU C C 13 179.588 0.300 . 1 . . . A 52 GLU C . 11472 1 573 . 1 1 52 52 GLU CA C 13 58.517 0.300 . 1 . . . A 52 GLU CA . 11472 1 574 . 1 1 52 52 GLU CB C 13 29.338 0.300 . 1 . . . A 52 GLU CB . 11472 1 575 . 1 1 52 52 GLU CG C 13 33.860 0.300 . 1 . . . A 52 GLU CG . 11472 1 576 . 1 1 52 52 GLU N N 15 119.084 0.300 . 1 . . . A 52 GLU N . 11472 1 577 . 1 1 53 53 ASP H H 1 8.144 0.030 . 1 . . . A 53 ASP H . 11472 1 578 . 1 1 53 53 ASP HA H 1 4.320 0.030 . 1 . . . A 53 ASP HA . 11472 1 579 . 1 1 53 53 ASP HB2 H 1 2.743 0.030 . 2 . . . A 53 ASP HB2 . 11472 1 580 . 1 1 53 53 ASP HB3 H 1 2.634 0.030 . 2 . . . A 53 ASP HB3 . 11472 1 581 . 1 1 53 53 ASP C C 13 174.972 0.300 . 1 . . . A 53 ASP C . 11472 1 582 . 1 1 53 53 ASP CA C 13 57.816 0.300 . 1 . . . A 53 ASP CA . 11472 1 583 . 1 1 53 53 ASP CB C 13 42.155 0.300 . 1 . . . A 53 ASP CB . 11472 1 584 . 1 1 53 53 ASP N N 15 120.286 0.300 . 1 . . . A 53 ASP N . 11472 1 585 . 1 1 54 54 ALA H H 1 7.801 0.030 . 1 . . . A 54 ALA H . 11472 1 586 . 1 1 54 54 ALA HA H 1 3.891 0.030 . 1 . . . A 54 ALA HA . 11472 1 587 . 1 1 54 54 ALA HB1 H 1 1.347 0.030 . 1 . . . A 54 ALA HB1 . 11472 1 588 . 1 1 54 54 ALA HB2 H 1 1.347 0.030 . 1 . . . A 54 ALA HB2 . 11472 1 589 . 1 1 54 54 ALA HB3 H 1 1.347 0.030 . 1 . . . A 54 ALA HB3 . 11472 1 590 . 1 1 54 54 ALA C C 13 179.146 0.300 . 1 . . . A 54 ALA C . 11472 1 591 . 1 1 54 54 ALA CA C 13 55.399 0.300 . 1 . . . A 54 ALA CA . 11472 1 592 . 1 1 54 54 ALA CB C 13 18.222 0.300 . 1 . . . A 54 ALA CB . 11472 1 593 . 1 1 54 54 ALA N N 15 121.330 0.300 . 1 . . . A 54 ALA N . 11472 1 594 . 1 1 55 55 PHE H H 1 9.099 0.030 . 1 . . . A 55 PHE H . 11472 1 595 . 1 1 55 55 PHE HA H 1 4.232 0.030 . 1 . . . A 55 PHE HA . 11472 1 596 . 1 1 55 55 PHE HB2 H 1 3.463 0.030 . 2 . . . A 55 PHE HB2 . 11472 1 597 . 1 1 55 55 PHE HB3 H 1 3.406 0.030 . 2 . . . A 55 PHE HB3 . 11472 1 598 . 1 1 55 55 PHE HD1 H 1 7.260 0.030 . 3 . . . A 55 PHE HD1 . 11472 1 599 . 1 1 55 55 PHE HD2 H 1 7.260 0.030 . 3 . . . A 55 PHE HD2 . 11472 1 600 . 1 1 55 55 PHE C C 13 180.238 0.300 . 1 . . . A 55 PHE C . 11472 1 601 . 1 1 55 55 PHE CA C 13 61.390 0.300 . 1 . . . A 55 PHE CA . 11472 1 602 . 1 1 55 55 PHE CB C 13 40.794 0.300 . 1 . . . A 55 PHE CB . 11472 1 603 . 1 1 55 55 PHE CD1 C 13 131.534 0.300 . 3 . . . A 55 PHE CD1 . 11472 1 604 . 1 1 55 55 PHE CD2 C 13 131.534 0.300 . 3 . . . A 55 PHE CD2 . 11472 1 605 . 1 1 55 55 PHE N N 15 120.121 0.300 . 1 . . . A 55 PHE N . 11472 1 606 . 1 1 56 56 SER H H 1 9.202 0.030 . 1 . . . A 56 SER H . 11472 1 607 . 1 1 56 56 SER HA H 1 4.068 0.030 . 1 . . . A 56 SER HA . 11472 1 608 . 1 1 56 56 SER HB2 H 1 4.180 0.030 . 2 . . . A 56 SER HB2 . 11472 1 609 . 1 1 56 56 SER HB3 H 1 4.111 0.030 . 2 . . . A 56 SER HB3 . 11472 1 610 . 1 1 56 56 SER C C 13 175.856 0.300 . 1 . . . A 56 SER C . 11472 1 611 . 1 1 56 56 SER CA C 13 61.410 0.300 . 1 . . . A 56 SER CA . 11472 1 612 . 1 1 56 56 SER CB C 13 63.127 0.300 . 1 . . . A 56 SER CB . 11472 1 613 . 1 1 56 56 SER N N 15 117.876 0.300 . 1 . . . A 56 SER N . 11472 1 614 . 1 1 57 57 LYS H H 1 7.487 0.030 . 1 . . . A 57 LYS H . 11472 1 615 . 1 1 57 57 LYS HA H 1 4.258 0.030 . 1 . . . A 57 LYS HA . 11472 1 616 . 1 1 57 57 LYS HB2 H 1 2.067 0.030 . 2 . . . A 57 LYS HB2 . 11472 1 617 . 1 1 57 57 LYS HB3 H 1 1.662 0.030 . 2 . . . A 57 LYS HB3 . 11472 1 618 . 1 1 57 57 LYS HG2 H 1 1.593 0.030 . 2 . . . A 57 LYS HG2 . 11472 1 619 . 1 1 57 57 LYS HG3 H 1 1.358 0.030 . 2 . . . A 57 LYS HG3 . 11472 1 620 . 1 1 57 57 LYS HD2 H 1 1.576 0.030 . 2 . . . A 57 LYS HD2 . 11472 1 621 . 1 1 57 57 LYS HD3 H 1 1.469 0.030 . 2 . . . A 57 LYS HD3 . 11472 1 622 . 1 1 57 57 LYS HE2 H 1 3.027 0.030 . 2 . . . A 57 LYS HE2 . 11472 1 623 . 1 1 57 57 LYS HE3 H 1 2.884 0.030 . 2 . . . A 57 LYS HE3 . 11472 1 624 . 1 1 57 57 LYS C C 13 176.870 0.300 . 1 . . . A 57 LYS C . 11472 1 625 . 1 1 57 57 LYS CA C 13 56.428 0.300 . 1 . . . A 57 LYS CA . 11472 1 626 . 1 1 57 57 LYS CB C 13 33.871 0.300 . 1 . . . A 57 LYS CB . 11472 1 627 . 1 1 57 57 LYS CG C 13 26.528 0.300 . 1 . . . A 57 LYS CG . 11472 1 628 . 1 1 57 57 LYS CD C 13 29.307 0.300 . 1 . . . A 57 LYS CD . 11472 1 629 . 1 1 57 57 LYS CE C 13 42.178 0.300 . 1 . . . A 57 LYS CE . 11472 1 630 . 1 1 57 57 LYS N N 15 119.986 0.300 . 1 . . . A 57 LYS N . 11472 1 631 . 1 1 58 58 GLY H H 1 7.800 0.030 . 1 . . . A 58 GLY H . 11472 1 632 . 1 1 58 58 GLY HA2 H 1 3.885 0.030 . 2 . . . A 58 GLY HA2 . 11472 1 633 . 1 1 58 58 GLY HA3 H 1 3.771 0.030 . 2 . . . A 58 GLY HA3 . 11472 1 634 . 1 1 58 58 GLY C C 13 175.271 0.300 . 1 . . . A 58 GLY C . 11472 1 635 . 1 1 58 58 GLY CA C 13 46.047 0.300 . 1 . . . A 58 GLY CA . 11472 1 636 . 1 1 58 58 GLY N N 15 109.188 0.300 . 1 . . . A 58 GLY N . 11472 1 637 . 1 1 59 59 LYS H H 1 7.927 0.030 . 1 . . . A 59 LYS H . 11472 1 638 . 1 1 59 59 LYS HA H 1 4.129 0.030 . 1 . . . A 59 LYS HA . 11472 1 639 . 1 1 59 59 LYS HB2 H 1 1.939 0.030 . 2 . . . A 59 LYS HB2 . 11472 1 640 . 1 1 59 59 LYS HB3 H 1 1.510 0.030 . 2 . . . A 59 LYS HB3 . 11472 1 641 . 1 1 59 59 LYS HG2 H 1 1.510 0.030 . 2 . . . A 59 LYS HG2 . 11472 1 642 . 1 1 59 59 LYS HG3 H 1 1.451 0.030 . 2 . . . A 59 LYS HG3 . 11472 1 643 . 1 1 59 59 LYS HD2 H 1 1.762 0.030 . 2 . . . A 59 LYS HD2 . 11472 1 644 . 1 1 59 59 LYS HD3 H 1 1.637 0.030 . 2 . . . A 59 LYS HD3 . 11472 1 645 . 1 1 59 59 LYS HE2 H 1 2.962 0.030 . 2 . . . A 59 LYS HE2 . 11472 1 646 . 1 1 59 59 LYS HE3 H 1 2.962 0.030 . 2 . . . A 59 LYS HE3 . 11472 1 647 . 1 1 59 59 LYS C C 13 176.636 0.300 . 1 . . . A 59 LYS C . 11472 1 648 . 1 1 59 59 LYS CA C 13 56.741 0.300 . 1 . . . A 59 LYS CA . 11472 1 649 . 1 1 59 59 LYS CB C 13 32.609 0.300 . 1 . . . A 59 LYS CB . 11472 1 650 . 1 1 59 59 LYS CG C 13 25.940 0.300 . 1 . . . A 59 LYS CG . 11472 1 651 . 1 1 59 59 LYS CD C 13 29.216 0.300 . 1 . . . A 59 LYS CD . 11472 1 652 . 1 1 59 59 LYS CE C 13 42.233 0.300 . 1 . . . A 59 LYS CE . 11472 1 653 . 1 1 59 59 LYS N N 15 118.736 0.300 . 1 . . . A 59 LYS N . 11472 1 654 . 1 1 60 60 LYS H H 1 8.775 0.030 . 1 . . . A 60 LYS H . 11472 1 655 . 1 1 60 60 LYS HA H 1 4.117 0.030 . 1 . . . A 60 LYS HA . 11472 1 656 . 1 1 60 60 LYS HB2 H 1 1.945 0.030 . 2 . . . A 60 LYS HB2 . 11472 1 657 . 1 1 60 60 LYS HB3 H 1 1.753 0.030 . 2 . . . A 60 LYS HB3 . 11472 1 658 . 1 1 60 60 LYS HG2 H 1 1.553 0.030 . 2 . . . A 60 LYS HG2 . 11472 1 659 . 1 1 60 60 LYS HG3 H 1 1.398 0.030 . 2 . . . A 60 LYS HG3 . 11472 1 660 . 1 1 60 60 LYS HD2 H 1 1.623 0.030 . 2 . . . A 60 LYS HD2 . 11472 1 661 . 1 1 60 60 LYS HD3 H 1 1.623 0.030 . 2 . . . A 60 LYS HD3 . 11472 1 662 . 1 1 60 60 LYS HE2 H 1 2.968 0.030 . 2 . . . A 60 LYS HE2 . 11472 1 663 . 1 1 60 60 LYS HE3 H 1 2.968 0.030 . 2 . . . A 60 LYS HE3 . 11472 1 664 . 1 1 60 60 LYS C C 13 176.753 0.300 . 1 . . . A 60 LYS C . 11472 1 665 . 1 1 60 60 LYS CA C 13 57.702 0.300 . 1 . . . A 60 LYS CA . 11472 1 666 . 1 1 60 60 LYS CB C 13 33.158 0.300 . 1 . . . A 60 LYS CB . 11472 1 667 . 1 1 60 60 LYS CG C 13 25.619 0.300 . 1 . . . A 60 LYS CG . 11472 1 668 . 1 1 60 60 LYS CD C 13 28.980 0.300 . 1 . . . A 60 LYS CD . 11472 1 669 . 1 1 60 60 LYS CE C 13 42.233 0.300 . 1 . . . A 60 LYS CE . 11472 1 670 . 1 1 60 60 LYS N N 15 119.439 0.300 . 1 . . . A 60 LYS N . 11472 1 671 . 1 1 61 61 ASN H H 1 7.593 0.030 . 1 . . . A 61 ASN H . 11472 1 672 . 1 1 61 61 ASN HA H 1 5.528 0.030 . 1 . . . A 61 ASN HA . 11472 1 673 . 1 1 61 61 ASN HB2 H 1 2.558 0.030 . 2 . . . A 61 ASN HB2 . 11472 1 674 . 1 1 61 61 ASN HB3 H 1 2.997 0.030 . 2 . . . A 61 ASN HB3 . 11472 1 675 . 1 1 61 61 ASN HD21 H 1 6.985 0.030 . 2 . . . A 61 ASN HD21 . 11472 1 676 . 1 1 61 61 ASN HD22 H 1 7.678 0.030 . 2 . . . A 61 ASN HD22 . 11472 1 677 . 1 1 61 61 ASN C C 13 173.593 0.300 . 1 . . . A 61 ASN C . 11472 1 678 . 1 1 61 61 ASN CA C 13 51.829 0.300 . 1 . . . A 61 ASN CA . 11472 1 679 . 1 1 61 61 ASN CB C 13 41.909 0.300 . 1 . . . A 61 ASN CB . 11472 1 680 . 1 1 61 61 ASN N N 15 110.841 0.300 . 1 . . . A 61 ASN N . 11472 1 681 . 1 1 61 61 ASN ND2 N 15 115.372 0.300 . 1 . . . A 61 ASN ND2 . 11472 1 682 . 1 1 62 62 THR H H 1 8.575 0.030 . 1 . . . A 62 THR H . 11472 1 683 . 1 1 62 62 THR HA H 1 4.559 0.030 . 1 . . . A 62 THR HA . 11472 1 684 . 1 1 62 62 THR HB H 1 3.896 0.030 . 1 . . . A 62 THR HB . 11472 1 685 . 1 1 62 62 THR HG21 H 1 0.858 0.030 . 1 . . . A 62 THR HG21 . 11472 1 686 . 1 1 62 62 THR HG22 H 1 0.858 0.030 . 1 . . . A 62 THR HG22 . 11472 1 687 . 1 1 62 62 THR HG23 H 1 0.858 0.030 . 1 . . . A 62 THR HG23 . 11472 1 688 . 1 1 62 62 THR C C 13 171.058 0.300 . 1 . . . A 62 THR C . 11472 1 689 . 1 1 62 62 THR CA C 13 60.461 0.300 . 1 . . . A 62 THR CA . 11472 1 690 . 1 1 62 62 THR CB C 13 69.860 0.300 . 1 . . . A 62 THR CB . 11472 1 691 . 1 1 62 62 THR CG2 C 13 19.083 0.300 . 1 . . . A 62 THR CG2 . 11472 1 692 . 1 1 62 62 THR N N 15 112.087 0.300 . 1 . . . A 62 THR N . 11472 1 693 . 1 1 63 63 GLU H H 1 8.097 0.030 . 1 . . . A 63 GLU H . 11472 1 694 . 1 1 63 63 GLU HA H 1 5.316 0.030 . 1 . . . A 63 GLU HA . 11472 1 695 . 1 1 63 63 GLU HB2 H 1 1.872 0.030 . 2 . . . A 63 GLU HB2 . 11472 1 696 . 1 1 63 63 GLU HB3 H 1 1.824 0.030 . 2 . . . A 63 GLU HB3 . 11472 1 697 . 1 1 63 63 GLU HG2 H 1 2.247 0.030 . 2 . . . A 63 GLU HG2 . 11472 1 698 . 1 1 63 63 GLU HG3 H 1 2.057 0.030 . 2 . . . A 63 GLU HG3 . 11472 1 699 . 1 1 63 63 GLU C C 13 175.830 0.300 . 1 . . . A 63 GLU C . 11472 1 700 . 1 1 63 63 GLU CA C 13 55.005 0.300 . 1 . . . A 63 GLU CA . 11472 1 701 . 1 1 63 63 GLU CB C 13 32.640 0.300 . 1 . . . A 63 GLU CB . 11472 1 702 . 1 1 63 63 GLU CG C 13 37.008 0.300 . 1 . . . A 63 GLU CG . 11472 1 703 . 1 1 63 63 GLU N N 15 123.416 0.300 . 1 . . . A 63 GLU N . 11472 1 704 . 1 1 64 64 MET H H 1 9.073 0.030 . 1 . . . A 64 MET H . 11472 1 705 . 1 1 64 64 MET HA H 1 4.682 0.030 . 1 . . . A 64 MET HA . 11472 1 706 . 1 1 64 64 MET HB2 H 1 1.831 0.030 . 2 . . . A 64 MET HB2 . 11472 1 707 . 1 1 64 64 MET HB3 H 1 1.765 0.030 . 2 . . . A 64 MET HB3 . 11472 1 708 . 1 1 64 64 MET HG2 H 1 2.199 0.030 . 2 . . . A 64 MET HG2 . 11472 1 709 . 1 1 64 64 MET HG3 H 1 2.140 0.030 . 2 . . . A 64 MET HG3 . 11472 1 710 . 1 1 64 64 MET HE1 H 1 1.740 0.030 . 1 . . . A 64 MET HE1 . 11472 1 711 . 1 1 64 64 MET HE2 H 1 1.740 0.030 . 1 . . . A 64 MET HE2 . 11472 1 712 . 1 1 64 64 MET HE3 H 1 1.740 0.030 . 1 . . . A 64 MET HE3 . 11472 1 713 . 1 1 64 64 MET C C 13 173.138 0.300 . 1 . . . A 64 MET C . 11472 1 714 . 1 1 64 64 MET CA C 13 54.407 0.300 . 1 . . . A 64 MET CA . 11472 1 715 . 1 1 64 64 MET CB C 13 35.471 0.300 . 1 . . . A 64 MET CB . 11472 1 716 . 1 1 64 64 MET CG C 13 31.408 0.300 . 1 . . . A 64 MET CG . 11472 1 717 . 1 1 64 64 MET CE C 13 18.334 0.300 . 1 . . . A 64 MET CE . 11472 1 718 . 1 1 64 64 MET N N 15 119.763 0.300 . 1 . . . A 64 MET N . 11472 1 719 . 1 1 65 65 LEU H H 1 8.790 0.030 . 1 . . . A 65 LEU H . 11472 1 720 . 1 1 65 65 LEU HA H 1 4.961 0.030 . 1 . . . A 65 LEU HA . 11472 1 721 . 1 1 65 65 LEU HB2 H 1 1.555 0.030 . 2 . . . A 65 LEU HB2 . 11472 1 722 . 1 1 65 65 LEU HB3 H 1 1.335 0.030 . 2 . . . A 65 LEU HB3 . 11472 1 723 . 1 1 65 65 LEU HG H 1 1.293 0.030 . 1 . . . A 65 LEU HG . 11472 1 724 . 1 1 65 65 LEU HD11 H 1 0.696 0.030 . 2 . . . A 65 LEU HD11 . 11472 1 725 . 1 1 65 65 LEU HD12 H 1 0.696 0.030 . 2 . . . A 65 LEU HD12 . 11472 1 726 . 1 1 65 65 LEU HD13 H 1 0.696 0.030 . 2 . . . A 65 LEU HD13 . 11472 1 727 . 1 1 65 65 LEU HD21 H 1 0.618 0.030 . 2 . . . A 65 LEU HD21 . 11472 1 728 . 1 1 65 65 LEU HD22 H 1 0.618 0.030 . 2 . . . A 65 LEU HD22 . 11472 1 729 . 1 1 65 65 LEU HD23 H 1 0.618 0.030 . 2 . . . A 65 LEU HD23 . 11472 1 730 . 1 1 65 65 LEU C C 13 176.818 0.300 . 1 . . . A 65 LEU C . 11472 1 731 . 1 1 65 65 LEU CA C 13 54.096 0.300 . 1 . . . A 65 LEU CA . 11472 1 732 . 1 1 65 65 LEU CB C 13 43.012 0.300 . 1 . . . A 65 LEU CB . 11472 1 733 . 1 1 65 65 LEU CG C 13 27.144 0.300 . 1 . . . A 65 LEU CG . 11472 1 734 . 1 1 65 65 LEU CD1 C 13 24.983 0.300 . 2 . . . A 65 LEU CD1 . 11472 1 735 . 1 1 65 65 LEU CD2 C 13 23.673 0.300 . 2 . . . A 65 LEU CD2 . 11472 1 736 . 1 1 65 65 LEU N N 15 126.036 0.300 . 1 . . . A 65 LEU N . 11472 1 737 . 1 1 66 66 ILE H H 1 9.213 0.030 . 1 . . . A 66 ILE H . 11472 1 738 . 1 1 66 66 ILE HA H 1 4.037 0.030 . 1 . . . A 66 ILE HA . 11472 1 739 . 1 1 66 66 ILE HB H 1 1.461 0.030 . 1 . . . A 66 ILE HB . 11472 1 740 . 1 1 66 66 ILE HG12 H 1 0.758 0.030 . 2 . . . A 66 ILE HG12 . 11472 1 741 . 1 1 66 66 ILE HG13 H 1 0.967 0.030 . 2 . . . A 66 ILE HG13 . 11472 1 742 . 1 1 66 66 ILE HG21 H 1 0.397 0.030 . 1 . . . A 66 ILE HG21 . 11472 1 743 . 1 1 66 66 ILE HG22 H 1 0.397 0.030 . 1 . . . A 66 ILE HG22 . 11472 1 744 . 1 1 66 66 ILE HG23 H 1 0.397 0.030 . 1 . . . A 66 ILE HG23 . 11472 1 745 . 1 1 66 66 ILE HD11 H 1 -0.103 0.030 . 1 . . . A 66 ILE HD11 . 11472 1 746 . 1 1 66 66 ILE HD12 H 1 -0.103 0.030 . 1 . . . A 66 ILE HD12 . 11472 1 747 . 1 1 66 66 ILE HD13 H 1 -0.103 0.030 . 1 . . . A 66 ILE HD13 . 11472 1 748 . 1 1 66 66 ILE C C 13 176.129 0.300 . 1 . . . A 66 ILE C . 11472 1 749 . 1 1 66 66 ILE CA C 13 60.473 0.300 . 1 . . . A 66 ILE CA . 11472 1 750 . 1 1 66 66 ILE CB C 13 39.495 0.300 . 1 . . . A 66 ILE CB . 11472 1 751 . 1 1 66 66 ILE CG1 C 13 26.271 0.300 . 1 . . . A 66 ILE CG1 . 11472 1 752 . 1 1 66 66 ILE CG2 C 13 12.359 0.300 . 1 . . . A 66 ILE CG2 . 11472 1 753 . 1 1 66 66 ILE CD1 C 13 15.307 0.300 . 1 . . . A 66 ILE CD1 . 11472 1 754 . 1 1 66 66 ILE N N 15 127.295 0.300 . 1 . . . A 66 ILE N . 11472 1 755 . 1 1 67 67 ALA H H 1 9.317 0.030 . 1 . . . A 67 ALA H . 11472 1 756 . 1 1 67 67 ALA HA H 1 3.885 0.030 . 1 . . . A 67 ALA HA . 11472 1 757 . 1 1 67 67 ALA HB1 H 1 1.382 0.030 . 1 . . . A 67 ALA HB1 . 11472 1 758 . 1 1 67 67 ALA HB2 H 1 1.382 0.030 . 1 . . . A 67 ALA HB2 . 11472 1 759 . 1 1 67 67 ALA HB3 H 1 1.382 0.030 . 1 . . . A 67 ALA HB3 . 11472 1 760 . 1 1 67 67 ALA C C 13 176.571 0.300 . 1 . . . A 67 ALA C . 11472 1 761 . 1 1 67 67 ALA CA C 13 52.754 0.300 . 1 . . . A 67 ALA CA . 11472 1 762 . 1 1 67 67 ALA CB C 13 17.200 0.300 . 1 . . . A 67 ALA CB . 11472 1 763 . 1 1 67 67 ALA N N 15 131.797 0.300 . 1 . . . A 67 ALA N . 11472 1 764 . 1 1 68 68 GLY H H 1 8.120 0.030 . 1 . . . A 68 GLY H . 11472 1 765 . 1 1 68 68 GLY HA2 H 1 3.860 0.030 . 2 . . . A 68 GLY HA2 . 11472 1 766 . 1 1 68 68 GLY HA3 H 1 3.281 0.030 . 2 . . . A 68 GLY HA3 . 11472 1 767 . 1 1 68 68 GLY C C 13 173.801 0.300 . 1 . . . A 68 GLY C . 11472 1 768 . 1 1 68 68 GLY CA C 13 44.922 0.300 . 1 . . . A 68 GLY CA . 11472 1 769 . 1 1 68 68 GLY N N 15 101.194 0.300 . 1 . . . A 68 GLY N . 11472 1 770 . 1 1 69 69 PHE H H 1 8.062 0.030 . 1 . . . A 69 PHE H . 11472 1 771 . 1 1 69 69 PHE HA H 1 4.761 0.030 . 1 . . . A 69 PHE HA . 11472 1 772 . 1 1 69 69 PHE HB2 H 1 2.914 0.030 . 2 . . . A 69 PHE HB2 . 11472 1 773 . 1 1 69 69 PHE HB3 H 1 2.635 0.030 . 2 . . . A 69 PHE HB3 . 11472 1 774 . 1 1 69 69 PHE HD1 H 1 7.260 0.030 . 3 . . . A 69 PHE HD1 . 11472 1 775 . 1 1 69 69 PHE HD2 H 1 7.260 0.030 . 3 . . . A 69 PHE HD2 . 11472 1 776 . 1 1 69 69 PHE HE1 H 1 7.302 0.030 . 3 . . . A 69 PHE HE1 . 11472 1 777 . 1 1 69 69 PHE HE2 H 1 7.302 0.030 . 3 . . . A 69 PHE HE2 . 11472 1 778 . 1 1 69 69 PHE C C 13 173.788 0.300 . 1 . . . A 69 PHE C . 11472 1 779 . 1 1 69 69 PHE CA C 13 56.485 0.300 . 1 . . . A 69 PHE CA . 11472 1 780 . 1 1 69 69 PHE CB C 13 42.502 0.300 . 1 . . . A 69 PHE CB . 11472 1 781 . 1 1 69 69 PHE CD1 C 13 131.956 0.300 . 3 . . . A 69 PHE CD1 . 11472 1 782 . 1 1 69 69 PHE CD2 C 13 131.956 0.300 . 3 . . . A 69 PHE CD2 . 11472 1 783 . 1 1 69 69 PHE CE1 C 13 131.193 0.300 . 3 . . . A 69 PHE CE1 . 11472 1 784 . 1 1 69 69 PHE CE2 C 13 131.193 0.300 . 3 . . . A 69 PHE CE2 . 11472 1 785 . 1 1 69 69 PHE N N 15 120.266 0.300 . 1 . . . A 69 PHE N . 11472 1 786 . 1 1 70 70 LEU H H 1 8.484 0.030 . 1 . . . A 70 LEU H . 11472 1 787 . 1 1 70 70 LEU HA H 1 4.833 0.030 . 1 . . . A 70 LEU HA . 11472 1 788 . 1 1 70 70 LEU HB2 H 1 1.449 0.030 . 2 . . . A 70 LEU HB2 . 11472 1 789 . 1 1 70 70 LEU HB3 H 1 1.449 0.030 . 2 . . . A 70 LEU HB3 . 11472 1 790 . 1 1 70 70 LEU HG H 1 1.409 0.030 . 1 . . . A 70 LEU HG . 11472 1 791 . 1 1 70 70 LEU HD11 H 1 0.801 0.030 . 2 . . . A 70 LEU HD11 . 11472 1 792 . 1 1 70 70 LEU HD12 H 1 0.801 0.030 . 2 . . . A 70 LEU HD12 . 11472 1 793 . 1 1 70 70 LEU HD13 H 1 0.801 0.030 . 2 . . . A 70 LEU HD13 . 11472 1 794 . 1 1 70 70 LEU HD21 H 1 0.757 0.030 . 2 . . . A 70 LEU HD21 . 11472 1 795 . 1 1 70 70 LEU HD22 H 1 0.757 0.030 . 2 . . . A 70 LEU HD22 . 11472 1 796 . 1 1 70 70 LEU HD23 H 1 0.757 0.030 . 2 . . . A 70 LEU HD23 . 11472 1 797 . 1 1 70 70 LEU C C 13 176.558 0.300 . 1 . . . A 70 LEU C . 11472 1 798 . 1 1 70 70 LEU CA C 13 54.593 0.300 . 1 . . . A 70 LEU CA . 11472 1 799 . 1 1 70 70 LEU CB C 13 43.289 0.300 . 1 . . . A 70 LEU CB . 11472 1 800 . 1 1 70 70 LEU CG C 13 27.151 0.300 . 1 . . . A 70 LEU CG . 11472 1 801 . 1 1 70 70 LEU CD1 C 13 24.294 0.300 . 2 . . . A 70 LEU CD1 . 11472 1 802 . 1 1 70 70 LEU CD2 C 13 24.661 0.300 . 2 . . . A 70 LEU CD2 . 11472 1 803 . 1 1 70 70 LEU N N 15 122.393 0.300 . 1 . . . A 70 LEU N . 11472 1 804 . 1 1 71 71 TYR H H 1 9.610 0.030 . 1 . . . A 71 TYR H . 11472 1 805 . 1 1 71 71 TYR HA H 1 4.815 0.030 . 1 . . . A 71 TYR HA . 11472 1 806 . 1 1 71 71 TYR HB2 H 1 2.675 0.030 . 2 . . . A 71 TYR HB2 . 11472 1 807 . 1 1 71 71 TYR HB3 H 1 2.453 0.030 . 2 . . . A 71 TYR HB3 . 11472 1 808 . 1 1 71 71 TYR HD1 H 1 6.826 0.030 . 3 . . . A 71 TYR HD1 . 11472 1 809 . 1 1 71 71 TYR HD2 H 1 6.826 0.030 . 3 . . . A 71 TYR HD2 . 11472 1 810 . 1 1 71 71 TYR HE1 H 1 6.770 0.030 . 3 . . . A 71 TYR HE1 . 11472 1 811 . 1 1 71 71 TYR HE2 H 1 6.770 0.030 . 3 . . . A 71 TYR HE2 . 11472 1 812 . 1 1 71 71 TYR C C 13 174.243 0.300 . 1 . . . A 71 TYR C . 11472 1 813 . 1 1 71 71 TYR CA C 13 57.205 0.300 . 1 . . . A 71 TYR CA . 11472 1 814 . 1 1 71 71 TYR CB C 13 42.547 0.300 . 1 . . . A 71 TYR CB . 11472 1 815 . 1 1 71 71 TYR CD1 C 13 132.835 0.300 . 3 . . . A 71 TYR CD1 . 11472 1 816 . 1 1 71 71 TYR CD2 C 13 132.835 0.300 . 3 . . . A 71 TYR CD2 . 11472 1 817 . 1 1 71 71 TYR CE1 C 13 118.185 0.300 . 3 . . . A 71 TYR CE1 . 11472 1 818 . 1 1 71 71 TYR CE2 C 13 118.185 0.300 . 3 . . . A 71 TYR CE2 . 11472 1 819 . 1 1 71 71 TYR N N 15 126.356 0.300 . 1 . . . A 71 TYR N . 11472 1 820 . 1 1 72 72 VAL H H 1 9.075 0.030 . 1 . . . A 72 VAL H . 11472 1 821 . 1 1 72 72 VAL HA H 1 4.204 0.030 . 1 . . . A 72 VAL HA . 11472 1 822 . 1 1 72 72 VAL HB H 1 0.855 0.030 . 1 . . . A 72 VAL HB . 11472 1 823 . 1 1 72 72 VAL HG11 H 1 0.698 0.030 . 2 . . . A 72 VAL HG11 . 11472 1 824 . 1 1 72 72 VAL HG12 H 1 0.698 0.030 . 2 . . . A 72 VAL HG12 . 11472 1 825 . 1 1 72 72 VAL HG13 H 1 0.698 0.030 . 2 . . . A 72 VAL HG13 . 11472 1 826 . 1 1 72 72 VAL HG21 H 1 0.664 0.030 . 2 . . . A 72 VAL HG21 . 11472 1 827 . 1 1 72 72 VAL HG22 H 1 0.664 0.030 . 2 . . . A 72 VAL HG22 . 11472 1 828 . 1 1 72 72 VAL HG23 H 1 0.664 0.030 . 2 . . . A 72 VAL HG23 . 11472 1 829 . 1 1 72 72 VAL C C 13 174.842 0.300 . 1 . . . A 72 VAL C . 11472 1 830 . 1 1 72 72 VAL CA C 13 61.367 0.300 . 1 . . . A 72 VAL CA . 11472 1 831 . 1 1 72 72 VAL CB C 13 33.723 0.300 . 1 . . . A 72 VAL CB . 11472 1 832 . 1 1 72 72 VAL CG1 C 13 21.464 0.300 . 2 . . . A 72 VAL CG1 . 11472 1 833 . 1 1 72 72 VAL CG2 C 13 20.483 0.300 . 2 . . . A 72 VAL CG2 . 11472 1 834 . 1 1 72 72 VAL N N 15 120.347 0.300 . 1 . . . A 72 VAL N . 11472 1 835 . 1 1 73 73 ALA H H 1 8.649 0.030 . 1 . . . A 73 ALA H . 11472 1 836 . 1 1 73 73 ALA HA H 1 4.721 0.030 . 1 . . . A 73 ALA HA . 11472 1 837 . 1 1 73 73 ALA HB1 H 1 0.957 0.030 . 1 . . . A 73 ALA HB1 . 11472 1 838 . 1 1 73 73 ALA HB2 H 1 0.957 0.030 . 1 . . . A 73 ALA HB2 . 11472 1 839 . 1 1 73 73 ALA HB3 H 1 0.957 0.030 . 1 . . . A 73 ALA HB3 . 11472 1 840 . 1 1 73 73 ALA C C 13 174.764 0.300 . 1 . . . A 73 ALA C . 11472 1 841 . 1 1 73 73 ALA CA C 13 50.470 0.300 . 1 . . . A 73 ALA CA . 11472 1 842 . 1 1 73 73 ALA CB C 13 19.763 0.300 . 1 . . . A 73 ALA CB . 11472 1 843 . 1 1 73 73 ALA N N 15 126.938 0.300 . 1 . . . A 73 ALA N . 11472 1 844 . 1 1 74 74 ASP H H 1 9.319 0.030 . 1 . . . A 74 ASP H . 11472 1 845 . 1 1 74 74 ASP HA H 1 4.866 0.030 . 1 . . . A 74 ASP HA . 11472 1 846 . 1 1 74 74 ASP HB2 H 1 3.447 0.030 . 2 . . . A 74 ASP HB2 . 11472 1 847 . 1 1 74 74 ASP HB3 H 1 2.719 0.030 . 2 . . . A 74 ASP HB3 . 11472 1 848 . 1 1 74 74 ASP C C 13 177.273 0.300 . 1 . . . A 74 ASP C . 11472 1 849 . 1 1 74 74 ASP CA C 13 52.588 0.300 . 1 . . . A 74 ASP CA . 11472 1 850 . 1 1 74 74 ASP CB C 13 41.498 0.300 . 1 . . . A 74 ASP CB . 11472 1 851 . 1 1 74 74 ASP N N 15 123.976 0.300 . 1 . . . A 74 ASP N . 11472 1 852 . 1 1 75 75 LEU H H 1 8.508 0.030 . 1 . . . A 75 LEU H . 11472 1 853 . 1 1 75 75 LEU HA H 1 4.586 0.030 . 1 . . . A 75 LEU HA . 11472 1 854 . 1 1 75 75 LEU HB2 H 1 1.819 0.030 . 2 . . . A 75 LEU HB2 . 11472 1 855 . 1 1 75 75 LEU HB3 H 1 1.796 0.030 . 2 . . . A 75 LEU HB3 . 11472 1 856 . 1 1 75 75 LEU HG H 1 1.561 0.030 . 1 . . . A 75 LEU HG . 11472 1 857 . 1 1 75 75 LEU HD11 H 1 0.762 0.030 . 2 . . . A 75 LEU HD11 . 11472 1 858 . 1 1 75 75 LEU HD12 H 1 0.762 0.030 . 2 . . . A 75 LEU HD12 . 11472 1 859 . 1 1 75 75 LEU HD13 H 1 0.762 0.030 . 2 . . . A 75 LEU HD13 . 11472 1 860 . 1 1 75 75 LEU HD21 H 1 0.822 0.030 . 2 . . . A 75 LEU HD21 . 11472 1 861 . 1 1 75 75 LEU HD22 H 1 0.822 0.030 . 2 . . . A 75 LEU HD22 . 11472 1 862 . 1 1 75 75 LEU HD23 H 1 0.822 0.030 . 2 . . . A 75 LEU HD23 . 11472 1 863 . 1 1 75 75 LEU C C 13 177.338 0.300 . 1 . . . A 75 LEU C . 11472 1 864 . 1 1 75 75 LEU CA C 13 55.863 0.300 . 1 . . . A 75 LEU CA . 11472 1 865 . 1 1 75 75 LEU CB C 13 40.793 0.300 . 1 . . . A 75 LEU CB . 11472 1 866 . 1 1 75 75 LEU CG C 13 28.157 0.300 . 1 . . . A 75 LEU CG . 11472 1 867 . 1 1 75 75 LEU CD1 C 13 25.571 0.300 . 2 . . . A 75 LEU CD1 . 11472 1 868 . 1 1 75 75 LEU CD2 C 13 24.089 0.300 . 2 . . . A 75 LEU CD2 . 11472 1 869 . 1 1 75 75 LEU N N 15 124.850 0.300 . 1 . . . A 75 LEU N . 11472 1 870 . 1 1 76 76 GLU H H 1 8.472 0.030 . 1 . . . A 76 GLU H . 11472 1 871 . 1 1 76 76 GLU HA H 1 4.355 0.030 . 1 . . . A 76 GLU HA . 11472 1 872 . 1 1 76 76 GLU HB2 H 1 2.237 0.030 . 2 . . . A 76 GLU HB2 . 11472 1 873 . 1 1 76 76 GLU HB3 H 1 2.160 0.030 . 2 . . . A 76 GLU HB3 . 11472 1 874 . 1 1 76 76 GLU HG2 H 1 2.149 0.030 . 2 . . . A 76 GLU HG2 . 11472 1 875 . 1 1 76 76 GLU HG3 H 1 2.385 0.030 . 2 . . . A 76 GLU HG3 . 11472 1 876 . 1 1 76 76 GLU C C 13 177.820 0.300 . 1 . . . A 76 GLU C . 11472 1 877 . 1 1 76 76 GLU CA C 13 58.590 0.300 . 1 . . . A 76 GLU CA . 11472 1 878 . 1 1 76 76 GLU CB C 13 30.590 0.300 . 1 . . . A 76 GLU CB . 11472 1 879 . 1 1 76 76 GLU CG C 13 36.718 0.300 . 1 . . . A 76 GLU CG . 11472 1 880 . 1 1 76 76 GLU N N 15 120.773 0.300 . 1 . . . A 76 GLU N . 11472 1 881 . 1 1 77 77 ASN H H 1 8.391 0.030 . 1 . . . A 77 ASN H . 11472 1 882 . 1 1 77 77 ASN HA H 1 4.744 0.030 . 1 . . . A 77 ASN HA . 11472 1 883 . 1 1 77 77 ASN HB2 H 1 2.810 0.030 . 2 . . . A 77 ASN HB2 . 11472 1 884 . 1 1 77 77 ASN HB3 H 1 2.433 0.030 . 2 . . . A 77 ASN HB3 . 11472 1 885 . 1 1 77 77 ASN HD21 H 1 9.260 0.030 . 2 . . . A 77 ASN HD21 . 11472 1 886 . 1 1 77 77 ASN HD22 H 1 7.293 0.030 . 2 . . . A 77 ASN HD22 . 11472 1 887 . 1 1 77 77 ASN C C 13 173.697 0.300 . 1 . . . A 77 ASN C . 11472 1 888 . 1 1 77 77 ASN CA C 13 53.320 0.300 . 1 . . . A 77 ASN CA . 11472 1 889 . 1 1 77 77 ASN CB C 13 39.729 0.300 . 1 . . . A 77 ASN CB . 11472 1 890 . 1 1 77 77 ASN N N 15 114.955 0.300 . 1 . . . A 77 ASN N . 11472 1 891 . 1 1 77 77 ASN ND2 N 15 120.151 0.300 . 1 . . . A 77 ASN ND2 . 11472 1 892 . 1 1 78 78 MET H H 1 7.997 0.030 . 1 . . . A 78 MET H . 11472 1 893 . 1 1 78 78 MET HA H 1 4.512 0.030 . 1 . . . A 78 MET HA . 11472 1 894 . 1 1 78 78 MET HB2 H 1 2.485 0.030 . 2 . . . A 78 MET HB2 . 11472 1 895 . 1 1 78 78 MET HB3 H 1 2.416 0.030 . 2 . . . A 78 MET HB3 . 11472 1 896 . 1 1 78 78 MET HG2 H 1 2.813 0.030 . 2 . . . A 78 MET HG2 . 11472 1 897 . 1 1 78 78 MET HG3 H 1 2.510 0.030 . 2 . . . A 78 MET HG3 . 11472 1 898 . 1 1 78 78 MET HE1 H 1 2.141 0.030 . 1 . . . A 78 MET HE1 . 11472 1 899 . 1 1 78 78 MET HE2 H 1 2.141 0.030 . 1 . . . A 78 MET HE2 . 11472 1 900 . 1 1 78 78 MET HE3 H 1 2.141 0.030 . 1 . . . A 78 MET HE3 . 11472 1 901 . 1 1 78 78 MET C C 13 176.298 0.300 . 1 . . . A 78 MET C . 11472 1 902 . 1 1 78 78 MET CA C 13 55.257 0.300 . 1 . . . A 78 MET CA . 11472 1 903 . 1 1 78 78 MET CB C 13 27.609 0.300 . 1 . . . A 78 MET CB . 11472 1 904 . 1 1 78 78 MET CG C 13 33.237 0.300 . 1 . . . A 78 MET CG . 11472 1 905 . 1 1 78 78 MET CE C 13 17.630 0.300 . 1 . . . A 78 MET CE . 11472 1 906 . 1 1 78 78 MET N N 15 118.972 0.300 . 1 . . . A 78 MET N . 11472 1 907 . 1 1 79 79 VAL H H 1 8.346 0.030 . 1 . . . A 79 VAL H . 11472 1 908 . 1 1 79 79 VAL HA H 1 5.490 0.030 . 1 . . . A 79 VAL HA . 11472 1 909 . 1 1 79 79 VAL HB H 1 2.061 0.030 . 1 . . . A 79 VAL HB . 11472 1 910 . 1 1 79 79 VAL HG11 H 1 0.991 0.030 . 2 . . . A 79 VAL HG11 . 11472 1 911 . 1 1 79 79 VAL HG12 H 1 0.991 0.030 . 2 . . . A 79 VAL HG12 . 11472 1 912 . 1 1 79 79 VAL HG13 H 1 0.991 0.030 . 2 . . . A 79 VAL HG13 . 11472 1 913 . 1 1 79 79 VAL HG21 H 1 0.981 0.030 . 2 . . . A 79 VAL HG21 . 11472 1 914 . 1 1 79 79 VAL HG22 H 1 0.981 0.030 . 2 . . . A 79 VAL HG22 . 11472 1 915 . 1 1 79 79 VAL HG23 H 1 0.981 0.030 . 2 . . . A 79 VAL HG23 . 11472 1 916 . 1 1 79 79 VAL C C 13 173.398 0.300 . 1 . . . A 79 VAL C . 11472 1 917 . 1 1 79 79 VAL CA C 13 59.650 0.300 . 1 . . . A 79 VAL CA . 11472 1 918 . 1 1 79 79 VAL CB C 13 37.510 0.300 . 1 . . . A 79 VAL CB . 11472 1 919 . 1 1 79 79 VAL CG1 C 13 22.123 0.300 . 2 . . . A 79 VAL CG1 . 11472 1 920 . 1 1 79 79 VAL CG2 C 13 20.125 0.300 . 2 . . . A 79 VAL CG2 . 11472 1 921 . 1 1 79 79 VAL N N 15 114.189 0.300 . 1 . . . A 79 VAL N . 11472 1 922 . 1 1 80 80 GLN H H 1 9.711 0.030 . 1 . . . A 80 GLN H . 11472 1 923 . 1 1 80 80 GLN HA H 1 5.949 0.030 . 1 . . . A 80 GLN HA . 11472 1 924 . 1 1 80 80 GLN HB2 H 1 2.129 0.030 . 2 . . . A 80 GLN HB2 . 11472 1 925 . 1 1 80 80 GLN HB3 H 1 1.980 0.030 . 2 . . . A 80 GLN HB3 . 11472 1 926 . 1 1 80 80 GLN HG2 H 1 2.247 0.030 . 2 . . . A 80 GLN HG2 . 11472 1 927 . 1 1 80 80 GLN HG3 H 1 2.180 0.030 . 2 . . . A 80 GLN HG3 . 11472 1 928 . 1 1 80 80 GLN C C 13 175.414 0.300 . 1 . . . A 80 GLN C . 11472 1 929 . 1 1 80 80 GLN CA C 13 53.539 0.300 . 1 . . . A 80 GLN CA . 11472 1 930 . 1 1 80 80 GLN CB C 13 33.090 0.300 . 1 . . . A 80 GLN CB . 11472 1 931 . 1 1 80 80 GLN CG C 13 33.661 0.300 . 1 . . . A 80 GLN CG . 11472 1 932 . 1 1 80 80 GLN N N 15 120.299 0.300 . 1 . . . A 80 GLN N . 11472 1 933 . 1 1 81 81 TYR H H 1 8.660 0.030 . 1 . . . A 81 TYR H . 11472 1 934 . 1 1 81 81 TYR HA H 1 5.354 0.030 . 1 . . . A 81 TYR HA . 11472 1 935 . 1 1 81 81 TYR HB2 H 1 3.261 0.030 . 2 . . . A 81 TYR HB2 . 11472 1 936 . 1 1 81 81 TYR HB3 H 1 2.997 0.030 . 2 . . . A 81 TYR HB3 . 11472 1 937 . 1 1 81 81 TYR HD1 H 1 6.805 0.030 . 3 . . . A 81 TYR HD1 . 11472 1 938 . 1 1 81 81 TYR HD2 H 1 6.805 0.030 . 3 . . . A 81 TYR HD2 . 11472 1 939 . 1 1 81 81 TYR HE1 H 1 6.682 0.030 . 3 . . . A 81 TYR HE1 . 11472 1 940 . 1 1 81 81 TYR HE2 H 1 6.682 0.030 . 3 . . . A 81 TYR HE2 . 11472 1 941 . 1 1 81 81 TYR C C 13 173.762 0.300 . 1 . . . A 81 TYR C . 11472 1 942 . 1 1 81 81 TYR CA C 13 56.155 0.300 . 1 . . . A 81 TYR CA . 11472 1 943 . 1 1 81 81 TYR CB C 13 40.154 0.300 . 1 . . . A 81 TYR CB . 11472 1 944 . 1 1 81 81 TYR CD1 C 13 134.160 0.300 . 3 . . . A 81 TYR CD1 . 11472 1 945 . 1 1 81 81 TYR CD2 C 13 134.160 0.300 . 3 . . . A 81 TYR CD2 . 11472 1 946 . 1 1 81 81 TYR CE1 C 13 117.138 0.300 . 3 . . . A 81 TYR CE1 . 11472 1 947 . 1 1 81 81 TYR CE2 C 13 117.138 0.300 . 3 . . . A 81 TYR CE2 . 11472 1 948 . 1 1 81 81 TYR N N 15 117.881 0.300 . 1 . . . A 81 TYR N . 11472 1 949 . 1 1 82 82 ARG H H 1 9.147 0.030 . 1 . . . A 82 ARG H . 11472 1 950 . 1 1 82 82 ARG HA H 1 3.668 0.030 . 1 . . . A 82 ARG HA . 11472 1 951 . 1 1 82 82 ARG HB2 H 1 1.703 0.030 . 2 . . . A 82 ARG HB2 . 11472 1 952 . 1 1 82 82 ARG HB3 H 1 1.600 0.030 . 2 . . . A 82 ARG HB3 . 11472 1 953 . 1 1 82 82 ARG HG2 H 1 1.261 0.030 . 2 . . . A 82 ARG HG2 . 11472 1 954 . 1 1 82 82 ARG HG3 H 1 1.132 0.030 . 2 . . . A 82 ARG HG3 . 11472 1 955 . 1 1 82 82 ARG HD2 H 1 2.631 0.030 . 2 . . . A 82 ARG HD2 . 11472 1 956 . 1 1 82 82 ARG HD3 H 1 2.631 0.030 . 2 . . . A 82 ARG HD3 . 11472 1 957 . 1 1 82 82 ARG HE H 1 6.626 0.030 . 1 . . . A 82 ARG HE . 11472 1 958 . 1 1 82 82 ARG C C 13 177.052 0.300 . 1 . . . A 82 ARG C . 11472 1 959 . 1 1 82 82 ARG CA C 13 56.644 0.300 . 1 . . . A 82 ARG CA . 11472 1 960 . 1 1 82 82 ARG CB C 13 30.419 0.300 . 1 . . . A 82 ARG CB . 11472 1 961 . 1 1 82 82 ARG CG C 13 27.734 0.300 . 1 . . . A 82 ARG CG . 11472 1 962 . 1 1 82 82 ARG CD C 13 43.043 0.300 . 1 . . . A 82 ARG CD . 11472 1 963 . 1 1 82 82 ARG N N 15 122.583 0.300 . 1 . . . A 82 ARG N . 11472 1 964 . 1 1 82 82 ARG NE N 15 82.623 0.300 . 1 . . . A 82 ARG NE . 11472 1 965 . 1 1 83 83 ARG H H 1 8.428 0.030 . 1 . . . A 83 ARG H . 11472 1 966 . 1 1 83 83 ARG HA H 1 3.923 0.030 . 1 . . . A 83 ARG HA . 11472 1 967 . 1 1 83 83 ARG HB2 H 1 1.688 0.030 . 2 . . . A 83 ARG HB2 . 11472 1 968 . 1 1 83 83 ARG HB3 H 1 1.386 0.030 . 2 . . . A 83 ARG HB3 . 11472 1 969 . 1 1 83 83 ARG HG2 H 1 1.549 0.030 . 2 . . . A 83 ARG HG2 . 11472 1 970 . 1 1 83 83 ARG HG3 H 1 1.549 0.030 . 2 . . . A 83 ARG HG3 . 11472 1 971 . 1 1 83 83 ARG HD2 H 1 3.019 0.030 . 2 . . . A 83 ARG HD2 . 11472 1 972 . 1 1 83 83 ARG HD3 H 1 3.019 0.030 . 2 . . . A 83 ARG HD3 . 11472 1 973 . 1 1 83 83 ARG C C 13 176.740 0.300 . 1 . . . A 83 ARG C . 11472 1 974 . 1 1 83 83 ARG CA C 13 58.757 0.300 . 1 . . . A 83 ARG CA . 11472 1 975 . 1 1 83 83 ARG CB C 13 30.756 0.300 . 1 . . . A 83 ARG CB . 11472 1 976 . 1 1 83 83 ARG CG C 13 27.256 0.300 . 1 . . . A 83 ARG CG . 11472 1 977 . 1 1 83 83 ARG CD C 13 43.423 0.300 . 1 . . . A 83 ARG CD . 11472 1 978 . 1 1 83 83 ARG N N 15 125.238 0.300 . 1 . . . A 83 ARG N . 11472 1 979 . 1 1 84 84 ASN H H 1 8.930 0.030 . 1 . . . A 84 ASN H . 11472 1 980 . 1 1 84 84 ASN HA H 1 4.529 0.030 . 1 . . . A 84 ASN HA . 11472 1 981 . 1 1 84 84 ASN HB2 H 1 2.969 0.030 . 2 . . . A 84 ASN HB2 . 11472 1 982 . 1 1 84 84 ASN HB3 H 1 2.912 0.030 . 2 . . . A 84 ASN HB3 . 11472 1 983 . 1 1 84 84 ASN HD21 H 1 6.962 0.030 . 2 . . . A 84 ASN HD21 . 11472 1 984 . 1 1 84 84 ASN HD22 H 1 7.696 0.030 . 2 . . . A 84 ASN HD22 . 11472 1 985 . 1 1 84 84 ASN C C 13 174.556 0.300 . 1 . . . A 84 ASN C . 11472 1 986 . 1 1 84 84 ASN CA C 13 53.766 0.300 . 1 . . . A 84 ASN CA . 11472 1 987 . 1 1 84 84 ASN CB C 13 38.052 0.300 . 1 . . . A 84 ASN CB . 11472 1 988 . 1 1 84 84 ASN N N 15 116.374 0.300 . 1 . . . A 84 ASN N . 11472 1 989 . 1 1 84 84 ASN ND2 N 15 112.409 0.300 . 1 . . . A 84 ASN ND2 . 11472 1 990 . 1 1 85 85 GLU H H 1 7.773 0.030 . 1 . . . A 85 GLU H . 11472 1 991 . 1 1 85 85 GLU HA H 1 4.202 0.030 . 1 . . . A 85 GLU HA . 11472 1 992 . 1 1 85 85 GLU HB2 H 1 2.049 0.030 . 2 . . . A 85 GLU HB2 . 11472 1 993 . 1 1 85 85 GLU HB3 H 1 1.675 0.030 . 2 . . . A 85 GLU HB3 . 11472 1 994 . 1 1 85 85 GLU HG2 H 1 2.065 0.030 . 2 . . . A 85 GLU HG2 . 11472 1 995 . 1 1 85 85 GLU HG3 H 1 2.065 0.030 . 2 . . . A 85 GLU HG3 . 11472 1 996 . 1 1 85 85 GLU C C 13 175.583 0.300 . 1 . . . A 85 GLU C . 11472 1 997 . 1 1 85 85 GLU CA C 13 57.747 0.300 . 1 . . . A 85 GLU CA . 11472 1 998 . 1 1 85 85 GLU CB C 13 30.770 0.300 . 1 . . . A 85 GLU CB . 11472 1 999 . 1 1 85 85 GLU CG C 13 36.059 0.300 . 1 . . . A 85 GLU CG . 11472 1 1000 . 1 1 85 85 GLU N N 15 119.929 0.300 . 1 . . . A 85 GLU N . 11472 1 1001 . 1 1 86 86 HIS H H 1 8.478 0.030 . 1 . . . A 86 HIS H . 11472 1 1002 . 1 1 86 86 HIS HA H 1 4.620 0.030 . 1 . . . A 86 HIS HA . 11472 1 1003 . 1 1 86 86 HIS HB2 H 1 3.083 0.030 . 2 . . . A 86 HIS HB2 . 11472 1 1004 . 1 1 86 86 HIS HB3 H 1 2.935 0.030 . 2 . . . A 86 HIS HB3 . 11472 1 1005 . 1 1 86 86 HIS HD2 H 1 6.950 0.030 . 1 . . . A 86 HIS HD2 . 11472 1 1006 . 1 1 86 86 HIS HE1 H 1 7.854 0.030 . 1 . . . A 86 HIS HE1 . 11472 1 1007 . 1 1 86 86 HIS C C 13 175.648 0.300 . 1 . . . A 86 HIS C . 11472 1 1008 . 1 1 86 86 HIS CA C 13 56.087 0.300 . 1 . . . A 86 HIS CA . 11472 1 1009 . 1 1 86 86 HIS CB C 13 29.857 0.300 . 1 . . . A 86 HIS CB . 11472 1 1010 . 1 1 86 86 HIS CD2 C 13 119.431 0.300 . 1 . . . A 86 HIS CD2 . 11472 1 1011 . 1 1 86 86 HIS CE1 C 13 138.059 0.300 . 1 . . . A 86 HIS CE1 . 11472 1 1012 . 1 1 86 86 HIS N N 15 120.368 0.300 . 1 . . . A 86 HIS N . 11472 1 1013 . 1 1 87 87 GLY H H 1 8.237 0.030 . 1 . . . A 87 GLY H . 11472 1 1014 . 1 1 87 87 GLY HA2 H 1 4.182 0.030 . 2 . . . A 87 GLY HA2 . 11472 1 1015 . 1 1 87 87 GLY HA3 H 1 3.987 0.030 . 2 . . . A 87 GLY HA3 . 11472 1 1016 . 1 1 87 87 GLY C C 13 173.918 0.300 . 1 . . . A 87 GLY C . 11472 1 1017 . 1 1 87 87 GLY CA C 13 44.946 0.300 . 1 . . . A 87 GLY CA . 11472 1 1018 . 1 1 87 87 GLY N N 15 109.418 0.300 . 1 . . . A 87 GLY N . 11472 1 1019 . 1 1 88 88 ARG H H 1 8.760 0.030 . 1 . . . A 88 ARG H . 11472 1 1020 . 1 1 88 88 ARG HA H 1 4.231 0.030 . 1 . . . A 88 ARG HA . 11472 1 1021 . 1 1 88 88 ARG HB2 H 1 2.009 0.030 . 2 . . . A 88 ARG HB2 . 11472 1 1022 . 1 1 88 88 ARG HB3 H 1 1.920 0.030 . 2 . . . A 88 ARG HB3 . 11472 1 1023 . 1 1 88 88 ARG HG2 H 1 1.612 0.030 . 2 . . . A 88 ARG HG2 . 11472 1 1024 . 1 1 88 88 ARG HG3 H 1 1.620 0.030 . 2 . . . A 88 ARG HG3 . 11472 1 1025 . 1 1 88 88 ARG HD2 H 1 3.160 0.030 . 2 . . . A 88 ARG HD2 . 11472 1 1026 . 1 1 88 88 ARG HD3 H 1 3.160 0.030 . 2 . . . A 88 ARG HD3 . 11472 1 1027 . 1 1 88 88 ARG C C 13 175.700 0.300 . 1 . . . A 88 ARG C . 11472 1 1028 . 1 1 88 88 ARG CA C 13 56.782 0.300 . 1 . . . A 88 ARG CA . 11472 1 1029 . 1 1 88 88 ARG CB C 13 31.090 0.300 . 1 . . . A 88 ARG CB . 11472 1 1030 . 1 1 88 88 ARG CG C 13 26.970 0.300 . 1 . . . A 88 ARG CG . 11472 1 1031 . 1 1 88 88 ARG CD C 13 43.369 0.300 . 1 . . . A 88 ARG CD . 11472 1 1032 . 1 1 88 88 ARG N N 15 122.179 0.300 . 1 . . . A 88 ARG N . 11472 1 1033 . 1 1 89 89 ARG H H 1 8.804 0.030 . 1 . . . A 89 ARG H . 11472 1 1034 . 1 1 89 89 ARG HA H 1 5.379 0.030 . 1 . . . A 89 ARG HA . 11472 1 1035 . 1 1 89 89 ARG HB2 H 1 1.855 0.030 . 2 . . . A 89 ARG HB2 . 11472 1 1036 . 1 1 89 89 ARG HB3 H 1 1.699 0.030 . 2 . . . A 89 ARG HB3 . 11472 1 1037 . 1 1 89 89 ARG HG2 H 1 1.674 0.030 . 2 . . . A 89 ARG HG2 . 11472 1 1038 . 1 1 89 89 ARG HG3 H 1 1.540 0.030 . 2 . . . A 89 ARG HG3 . 11472 1 1039 . 1 1 89 89 ARG HD2 H 1 3.191 0.030 . 2 . . . A 89 ARG HD2 . 11472 1 1040 . 1 1 89 89 ARG HD3 H 1 3.010 0.030 . 2 . . . A 89 ARG HD3 . 11472 1 1041 . 1 1 89 89 ARG C C 13 175.843 0.300 . 1 . . . A 89 ARG C . 11472 1 1042 . 1 1 89 89 ARG CA C 13 55.055 0.300 . 1 . . . A 89 ARG CA . 11472 1 1043 . 1 1 89 89 ARG CB C 13 31.477 0.300 . 1 . . . A 89 ARG CB . 11472 1 1044 . 1 1 89 89 ARG CG C 13 28.291 0.300 . 1 . . . A 89 ARG CG . 11472 1 1045 . 1 1 89 89 ARG CD C 13 43.680 0.300 . 1 . . . A 89 ARG CD . 11472 1 1046 . 1 1 89 89 ARG N N 15 125.887 0.300 . 1 . . . A 89 ARG N . 11472 1 1047 . 1 1 90 90 ARG H H 1 8.822 0.030 . 1 . . . A 90 ARG H . 11472 1 1048 . 1 1 90 90 ARG HA H 1 4.820 0.030 . 1 . . . A 90 ARG HA . 11472 1 1049 . 1 1 90 90 ARG HB2 H 1 2.120 0.030 . 2 . . . A 90 ARG HB2 . 11472 1 1050 . 1 1 90 90 ARG HB3 H 1 1.882 0.030 . 2 . . . A 90 ARG HB3 . 11472 1 1051 . 1 1 90 90 ARG HG2 H 1 1.780 0.030 . 2 . . . A 90 ARG HG2 . 11472 1 1052 . 1 1 90 90 ARG HG3 H 1 1.780 0.030 . 2 . . . A 90 ARG HG3 . 11472 1 1053 . 1 1 90 90 ARG HD2 H 1 3.037 0.030 . 2 . . . A 90 ARG HD2 . 11472 1 1054 . 1 1 90 90 ARG HD3 H 1 3.348 0.030 . 2 . . . A 90 ARG HD3 . 11472 1 1055 . 1 1 90 90 ARG C C 13 175.115 0.300 . 1 . . . A 90 ARG C . 11472 1 1056 . 1 1 90 90 ARG CA C 13 54.563 0.300 . 1 . . . A 90 ARG CA . 11472 1 1057 . 1 1 90 90 ARG CB C 13 33.512 0.300 . 1 . . . A 90 ARG CB . 11472 1 1058 . 1 1 90 90 ARG CG C 13 27.219 0.300 . 1 . . . A 90 ARG CG . 11472 1 1059 . 1 1 90 90 ARG CD C 13 43.607 0.300 . 1 . . . A 90 ARG CD . 11472 1 1060 . 1 1 90 90 ARG N N 15 123.152 0.300 . 1 . . . A 90 ARG N . 11472 1 1061 . 1 1 91 91 LYS H H 1 9.192 0.030 . 1 . . . A 91 LYS H . 11472 1 1062 . 1 1 91 91 LYS HA H 1 4.817 0.030 . 1 . . . A 91 LYS HA . 11472 1 1063 . 1 1 91 91 LYS HB2 H 1 2.261 0.030 . 2 . . . A 91 LYS HB2 . 11472 1 1064 . 1 1 91 91 LYS HB3 H 1 1.791 0.030 . 2 . . . A 91 LYS HB3 . 11472 1 1065 . 1 1 91 91 LYS HG2 H 1 1.772 0.030 . 2 . . . A 91 LYS HG2 . 11472 1 1066 . 1 1 91 91 LYS HG3 H 1 1.820 0.030 . 2 . . . A 91 LYS HG3 . 11472 1 1067 . 1 1 91 91 LYS HD2 H 1 1.901 0.030 . 2 . . . A 91 LYS HD2 . 11472 1 1068 . 1 1 91 91 LYS HD3 H 1 1.864 0.030 . 2 . . . A 91 LYS HD3 . 11472 1 1069 . 1 1 91 91 LYS HE2 H 1 3.129 0.030 . 2 . . . A 91 LYS HE2 . 11472 1 1070 . 1 1 91 91 LYS HE3 H 1 3.104 0.030 . 2 . . . A 91 LYS HE3 . 11472 1 1071 . 1 1 91 91 LYS C C 13 175.427 0.300 . 1 . . . A 91 LYS C . 11472 1 1072 . 1 1 91 91 LYS CA C 13 57.773 0.300 . 1 . . . A 91 LYS CA . 11472 1 1073 . 1 1 91 91 LYS CB C 13 33.815 0.300 . 1 . . . A 91 LYS CB . 11472 1 1074 . 1 1 91 91 LYS CG C 13 25.610 0.300 . 1 . . . A 91 LYS CG . 11472 1 1075 . 1 1 91 91 LYS CD C 13 29.093 0.300 . 1 . . . A 91 LYS CD . 11472 1 1076 . 1 1 91 91 LYS CE C 13 41.916 0.300 . 1 . . . A 91 LYS CE . 11472 1 1077 . 1 1 91 91 LYS N N 15 122.798 0.300 . 1 . . . A 91 LYS N . 11472 1 1078 . 1 1 92 92 ILE H H 1 7.874 0.030 . 1 . . . A 92 ILE H . 11472 1 1079 . 1 1 92 92 ILE HA H 1 5.859 0.030 . 1 . . . A 92 ILE HA . 11472 1 1080 . 1 1 92 92 ILE HB H 1 2.167 0.030 . 1 . . . A 92 ILE HB . 11472 1 1081 . 1 1 92 92 ILE HG12 H 1 1.610 0.030 . 2 . . . A 92 ILE HG12 . 11472 1 1082 . 1 1 92 92 ILE HG13 H 1 1.069 0.030 . 2 . . . A 92 ILE HG13 . 11472 1 1083 . 1 1 92 92 ILE HG21 H 1 1.438 0.030 . 1 . . . A 92 ILE HG21 . 11472 1 1084 . 1 1 92 92 ILE HG22 H 1 1.438 0.030 . 1 . . . A 92 ILE HG22 . 11472 1 1085 . 1 1 92 92 ILE HG23 H 1 1.438 0.030 . 1 . . . A 92 ILE HG23 . 11472 1 1086 . 1 1 92 92 ILE HD11 H 1 0.861 0.030 . 1 . . . A 92 ILE HD11 . 11472 1 1087 . 1 1 92 92 ILE HD12 H 1 0.861 0.030 . 1 . . . A 92 ILE HD12 . 11472 1 1088 . 1 1 92 92 ILE HD13 H 1 0.861 0.030 . 1 . . . A 92 ILE HD13 . 11472 1 1089 . 1 1 92 92 ILE C C 13 174.868 0.300 . 1 . . . A 92 ILE C . 11472 1 1090 . 1 1 92 92 ILE CA C 13 59.881 0.300 . 1 . . . A 92 ILE CA . 11472 1 1091 . 1 1 92 92 ILE CB C 13 42.578 0.300 . 1 . . . A 92 ILE CB . 11472 1 1092 . 1 1 92 92 ILE CG1 C 13 26.154 0.300 . 1 . . . A 92 ILE CG1 . 11472 1 1093 . 1 1 92 92 ILE CG2 C 13 19.488 0.300 . 1 . . . A 92 ILE CG2 . 11472 1 1094 . 1 1 92 92 ILE CD1 C 13 14.056 0.300 . 1 . . . A 92 ILE CD1 . 11472 1 1095 . 1 1 92 92 ILE N N 15 114.934 0.300 . 1 . . . A 92 ILE N . 11472 1 1096 . 1 1 93 93 LYS H H 1 9.224 0.030 . 1 . . . A 93 LYS H . 11472 1 1097 . 1 1 93 93 LYS HA H 1 4.535 0.030 . 1 . . . A 93 LYS HA . 11472 1 1098 . 1 1 93 93 LYS HB2 H 1 1.225 0.030 . 2 . . . A 93 LYS HB2 . 11472 1 1099 . 1 1 93 93 LYS HB3 H 1 1.164 0.030 . 2 . . . A 93 LYS HB3 . 11472 1 1100 . 1 1 93 93 LYS HG2 H 1 0.245 0.030 . 2 . . . A 93 LYS HG2 . 11472 1 1101 . 1 1 93 93 LYS HG3 H 1 0.513 0.030 . 2 . . . A 93 LYS HG3 . 11472 1 1102 . 1 1 93 93 LYS HD2 H 1 0.076 0.030 . 2 . . . A 93 LYS HD2 . 11472 1 1103 . 1 1 93 93 LYS HD3 H 1 0.635 0.030 . 2 . . . A 93 LYS HD3 . 11472 1 1104 . 1 1 93 93 LYS HE2 H 1 1.284 0.030 . 2 . . . A 93 LYS HE2 . 11472 1 1105 . 1 1 93 93 LYS HE3 H 1 0.567 0.030 . 2 . . . A 93 LYS HE3 . 11472 1 1106 . 1 1 93 93 LYS C C 13 171.682 0.300 . 1 . . . A 93 LYS C . 11472 1 1107 . 1 1 93 93 LYS CA C 13 55.445 0.300 . 1 . . . A 93 LYS CA . 11472 1 1108 . 1 1 93 93 LYS CB C 13 35.828 0.300 . 1 . . . A 93 LYS CB . 11472 1 1109 . 1 1 93 93 LYS CG C 13 24.302 0.300 . 1 . . . A 93 LYS CG . 11472 1 1110 . 1 1 93 93 LYS CD C 13 29.220 0.300 . 1 . . . A 93 LYS CD . 11472 1 1111 . 1 1 93 93 LYS CE C 13 40.856 0.300 . 1 . . . A 93 LYS CE . 11472 1 1112 . 1 1 93 93 LYS N N 15 118.523 0.300 . 1 . . . A 93 LYS N . 11472 1 1113 . 1 1 94 94 ARG H H 1 7.966 0.030 . 1 . . . A 94 ARG H . 11472 1 1114 . 1 1 94 94 ARG HA H 1 4.383 0.030 . 1 . . . A 94 ARG HA . 11472 1 1115 . 1 1 94 94 ARG HB2 H 1 0.425 0.030 . 2 . . . A 94 ARG HB2 . 11472 1 1116 . 1 1 94 94 ARG HB3 H 1 -1.064 0.030 . 2 . . . A 94 ARG HB3 . 11472 1 1117 . 1 1 94 94 ARG HG2 H 1 -0.319 0.030 . 2 . . . A 94 ARG HG2 . 11472 1 1118 . 1 1 94 94 ARG HG3 H 1 0.358 0.030 . 2 . . . A 94 ARG HG3 . 11472 1 1119 . 1 1 94 94 ARG HD2 H 1 1.644 0.030 . 2 . . . A 94 ARG HD2 . 11472 1 1120 . 1 1 94 94 ARG HD3 H 1 1.737 0.030 . 2 . . . A 94 ARG HD3 . 11472 1 1121 . 1 1 94 94 ARG C C 13 175.362 0.300 . 1 . . . A 94 ARG C . 11472 1 1122 . 1 1 94 94 ARG CA C 13 53.642 0.300 . 1 . . . A 94 ARG CA . 11472 1 1123 . 1 1 94 94 ARG CB C 13 30.388 0.300 . 1 . . . A 94 ARG CB . 11472 1 1124 . 1 1 94 94 ARG CG C 13 27.693 0.300 . 1 . . . A 94 ARG CG . 11472 1 1125 . 1 1 94 94 ARG CD C 13 42.464 0.300 . 1 . . . A 94 ARG CD . 11472 1 1126 . 1 1 94 94 ARG N N 15 124.609 0.300 . 1 . . . A 94 ARG N . 11472 1 1127 . 1 1 95 95 ASP H H 1 9.165 0.030 . 1 . . . A 95 ASP H . 11472 1 1128 . 1 1 95 95 ASP HA H 1 4.925 0.030 . 1 . . . A 95 ASP HA . 11472 1 1129 . 1 1 95 95 ASP HB2 H 1 2.430 0.030 . 2 . . . A 95 ASP HB2 . 11472 1 1130 . 1 1 95 95 ASP HB3 H 1 2.002 0.030 . 2 . . . A 95 ASP HB3 . 11472 1 1131 . 1 1 95 95 ASP C C 13 174.204 0.300 . 1 . . . A 95 ASP C . 11472 1 1132 . 1 1 95 95 ASP CA C 13 52.131 0.300 . 1 . . . A 95 ASP CA . 11472 1 1133 . 1 1 95 95 ASP CB C 13 44.802 0.300 . 1 . . . A 95 ASP CB . 11472 1 1134 . 1 1 95 95 ASP N N 15 127.121 0.300 . 1 . . . A 95 ASP N . 11472 1 1135 . 1 1 96 96 ILE H H 1 8.453 0.030 . 1 . . . A 96 ILE H . 11472 1 1136 . 1 1 96 96 ILE HA H 1 3.979 0.030 . 1 . . . A 96 ILE HA . 11472 1 1137 . 1 1 96 96 ILE HB H 1 1.524 0.030 . 1 . . . A 96 ILE HB . 11472 1 1138 . 1 1 96 96 ILE HG12 H 1 1.094 0.030 . 2 . . . A 96 ILE HG12 . 11472 1 1139 . 1 1 96 96 ILE HG13 H 1 0.842 0.030 . 2 . . . A 96 ILE HG13 . 11472 1 1140 . 1 1 96 96 ILE HG21 H 1 0.663 0.030 . 1 . . . A 96 ILE HG21 . 11472 1 1141 . 1 1 96 96 ILE HG22 H 1 0.663 0.030 . 1 . . . A 96 ILE HG22 . 11472 1 1142 . 1 1 96 96 ILE HG23 H 1 0.663 0.030 . 1 . . . A 96 ILE HG23 . 11472 1 1143 . 1 1 96 96 ILE HD11 H 1 0.561 0.030 . 1 . . . A 96 ILE HD11 . 11472 1 1144 . 1 1 96 96 ILE HD12 H 1 0.561 0.030 . 1 . . . A 96 ILE HD12 . 11472 1 1145 . 1 1 96 96 ILE HD13 H 1 0.561 0.030 . 1 . . . A 96 ILE HD13 . 11472 1 1146 . 1 1 96 96 ILE C C 13 176.116 0.300 . 1 . . . A 96 ILE C . 11472 1 1147 . 1 1 96 96 ILE CA C 13 60.441 0.300 . 1 . . . A 96 ILE CA . 11472 1 1148 . 1 1 96 96 ILE CB C 13 38.992 0.300 . 1 . . . A 96 ILE CB . 11472 1 1149 . 1 1 96 96 ILE CG1 C 13 27.514 0.300 . 1 . . . A 96 ILE CG1 . 11472 1 1150 . 1 1 96 96 ILE CG2 C 13 17.402 0.300 . 1 . . . A 96 ILE CG2 . 11472 1 1151 . 1 1 96 96 ILE CD1 C 13 12.814 0.300 . 1 . . . A 96 ILE CD1 . 11472 1 1152 . 1 1 96 96 ILE N N 15 120.764 0.300 . 1 . . . A 96 ILE N . 11472 1 1153 . 1 1 97 97 ILE H H 1 8.112 0.030 . 1 . . . A 97 ILE H . 11472 1 1154 . 1 1 97 97 ILE HA H 1 4.012 0.030 . 1 . . . A 97 ILE HA . 11472 1 1155 . 1 1 97 97 ILE HB H 1 1.602 0.030 . 1 . . . A 97 ILE HB . 11472 1 1156 . 1 1 97 97 ILE HG12 H 1 1.254 0.030 . 2 . . . A 97 ILE HG12 . 11472 1 1157 . 1 1 97 97 ILE HG13 H 1 0.901 0.030 . 2 . . . A 97 ILE HG13 . 11472 1 1158 . 1 1 97 97 ILE HG21 H 1 0.750 0.030 . 1 . . . A 97 ILE HG21 . 11472 1 1159 . 1 1 97 97 ILE HG22 H 1 0.750 0.030 . 1 . . . A 97 ILE HG22 . 11472 1 1160 . 1 1 97 97 ILE HG23 H 1 0.750 0.030 . 1 . . . A 97 ILE HG23 . 11472 1 1161 . 1 1 97 97 ILE HD11 H 1 0.660 0.030 . 1 . . . A 97 ILE HD11 . 11472 1 1162 . 1 1 97 97 ILE HD12 H 1 0.660 0.030 . 1 . . . A 97 ILE HD12 . 11472 1 1163 . 1 1 97 97 ILE HD13 H 1 0.660 0.030 . 1 . . . A 97 ILE HD13 . 11472 1 1164 . 1 1 97 97 ILE C C 13 175.154 0.300 . 1 . . . A 97 ILE C . 11472 1 1165 . 1 1 97 97 ILE CA C 13 60.897 0.300 . 1 . . . A 97 ILE CA . 11472 1 1166 . 1 1 97 97 ILE CB C 13 38.874 0.300 . 1 . . . A 97 ILE CB . 11472 1 1167 . 1 1 97 97 ILE CG1 C 13 27.622 0.300 . 1 . . . A 97 ILE CG1 . 11472 1 1168 . 1 1 97 97 ILE CG2 C 13 17.325 0.300 . 1 . . . A 97 ILE CG2 . 11472 1 1169 . 1 1 97 97 ILE CD1 C 13 13.151 0.300 . 1 . . . A 97 ILE CD1 . 11472 1 1170 . 1 1 97 97 ILE N N 15 125.863 0.300 . 1 . . . A 97 ILE N . 11472 1 1171 . 1 1 98 98 ASP H H 1 8.341 0.030 . 1 . . . A 98 ASP H . 11472 1 1172 . 1 1 98 98 ASP HA H 1 4.536 0.030 . 1 . . . A 98 ASP HA . 11472 1 1173 . 1 1 98 98 ASP HB2 H 1 2.538 0.030 . 2 . . . A 98 ASP HB2 . 11472 1 1174 . 1 1 98 98 ASP HB3 H 1 2.410 0.030 . 2 . . . A 98 ASP HB3 . 11472 1 1175 . 1 1 98 98 ASP C C 13 175.362 0.300 . 1 . . . A 98 ASP C . 11472 1 1176 . 1 1 98 98 ASP CA C 13 53.757 0.300 . 1 . . . A 98 ASP CA . 11472 1 1177 . 1 1 98 98 ASP CB C 13 41.338 0.300 . 1 . . . A 98 ASP CB . 11472 1 1178 . 1 1 98 98 ASP N N 15 125.615 0.300 . 1 . . . A 98 ASP N . 11472 1 1179 . 1 1 99 99 ILE H H 1 8.135 0.030 . 1 . . . A 99 ILE H . 11472 1 1180 . 1 1 99 99 ILE HA H 1 4.350 0.030 . 1 . . . A 99 ILE HA . 11472 1 1181 . 1 1 99 99 ILE HB H 1 1.761 0.030 . 1 . . . A 99 ILE HB . 11472 1 1182 . 1 1 99 99 ILE HG12 H 1 1.053 0.030 . 2 . . . A 99 ILE HG12 . 11472 1 1183 . 1 1 99 99 ILE HG13 H 1 1.400 0.030 . 2 . . . A 99 ILE HG13 . 11472 1 1184 . 1 1 99 99 ILE HG21 H 1 0.855 0.030 . 1 . . . A 99 ILE HG21 . 11472 1 1185 . 1 1 99 99 ILE HG22 H 1 0.855 0.030 . 1 . . . A 99 ILE HG22 . 11472 1 1186 . 1 1 99 99 ILE HG23 H 1 0.855 0.030 . 1 . . . A 99 ILE HG23 . 11472 1 1187 . 1 1 99 99 ILE HD11 H 1 0.739 0.030 . 1 . . . A 99 ILE HD11 . 11472 1 1188 . 1 1 99 99 ILE HD12 H 1 0.739 0.030 . 1 . . . A 99 ILE HD12 . 11472 1 1189 . 1 1 99 99 ILE HD13 H 1 0.739 0.030 . 1 . . . A 99 ILE HD13 . 11472 1 1190 . 1 1 99 99 ILE C C 13 174.387 0.300 . 1 . . . A 99 ILE C . 11472 1 1191 . 1 1 99 99 ILE CA C 13 58.643 0.300 . 1 . . . A 99 ILE CA . 11472 1 1192 . 1 1 99 99 ILE CB C 13 38.540 0.300 . 1 . . . A 99 ILE CB . 11472 1 1193 . 1 1 99 99 ILE CG1 C 13 26.820 0.300 . 1 . . . A 99 ILE CG1 . 11472 1 1194 . 1 1 99 99 ILE CG2 C 13 17.061 0.300 . 1 . . . A 99 ILE CG2 . 11472 1 1195 . 1 1 99 99 ILE CD1 C 13 12.758 0.300 . 1 . . . A 99 ILE CD1 . 11472 1 1196 . 1 1 99 99 ILE N N 15 123.519 0.300 . 1 . . . A 99 ILE N . 11472 1 1197 . 1 1 100 100 PRO HA H 1 4.324 0.030 . 1 . . . A 100 PRO HA . 11472 1 1198 . 1 1 100 100 PRO HB2 H 1 2.249 0.030 . 2 . . . A 100 PRO HB2 . 11472 1 1199 . 1 1 100 100 PRO HB3 H 1 1.812 0.030 . 2 . . . A 100 PRO HB3 . 11472 1 1200 . 1 1 100 100 PRO HG2 H 1 1.968 0.030 . 2 . . . A 100 PRO HG2 . 11472 1 1201 . 1 1 100 100 PRO HG3 H 1 1.903 0.030 . 2 . . . A 100 PRO HG3 . 11472 1 1202 . 1 1 100 100 PRO HD2 H 1 3.803 0.030 . 2 . . . A 100 PRO HD2 . 11472 1 1203 . 1 1 100 100 PRO HD3 H 1 3.599 0.030 . 2 . . . A 100 PRO HD3 . 11472 1 1204 . 1 1 100 100 PRO CA C 13 63.118 0.300 . 1 . . . A 100 PRO CA . 11472 1 1205 . 1 1 100 100 PRO CB C 13 32.191 0.300 . 1 . . . A 100 PRO CB . 11472 1 1206 . 1 1 100 100 PRO CG C 13 27.422 0.300 . 1 . . . A 100 PRO CG . 11472 1 1207 . 1 1 100 100 PRO CD C 13 51.026 0.300 . 1 . . . A 100 PRO CD . 11472 1 1208 . 1 1 101 101 LYS H H 1 8.525 0.030 . 1 . . . A 101 LYS H . 11472 1 1209 . 1 1 101 101 LYS HA H 1 4.229 0.030 . 1 . . . A 101 LYS HA . 11472 1 1210 . 1 1 101 101 LYS HB2 H 1 1.767 0.030 . 2 . . . A 101 LYS HB2 . 11472 1 1211 . 1 1 101 101 LYS HB3 H 1 1.700 0.030 . 2 . . . A 101 LYS HB3 . 11472 1 1212 . 1 1 101 101 LYS HG2 H 1 1.385 0.030 . 2 . . . A 101 LYS HG2 . 11472 1 1213 . 1 1 101 101 LYS HG3 H 1 1.433 0.030 . 2 . . . A 101 LYS HG3 . 11472 1 1214 . 1 1 101 101 LYS HD2 H 1 1.634 0.030 . 2 . . . A 101 LYS HD2 . 11472 1 1215 . 1 1 101 101 LYS HD3 H 1 1.634 0.030 . 2 . . . A 101 LYS HD3 . 11472 1 1216 . 1 1 101 101 LYS HE2 H 1 2.982 0.030 . 2 . . . A 101 LYS HE2 . 11472 1 1217 . 1 1 101 101 LYS HE3 H 1 2.982 0.030 . 2 . . . A 101 LYS HE3 . 11472 1 1218 . 1 1 101 101 LYS C C 13 176.636 0.300 . 1 . . . A 101 LYS C . 11472 1 1219 . 1 1 101 101 LYS CA C 13 56.131 0.300 . 1 . . . A 101 LYS CA . 11472 1 1220 . 1 1 101 101 LYS CB C 13 33.119 0.300 . 1 . . . A 101 LYS CB . 11472 1 1221 . 1 1 101 101 LYS CG C 13 24.756 0.300 . 1 . . . A 101 LYS CG . 11472 1 1222 . 1 1 101 101 LYS CD C 13 29.029 0.300 . 1 . . . A 101 LYS CD . 11472 1 1223 . 1 1 101 101 LYS CE C 13 42.233 0.300 . 1 . . . A 101 LYS CE . 11472 1 1224 . 1 1 101 101 LYS N N 15 122.511 0.300 . 1 . . . A 101 LYS N . 11472 1 1225 . 1 1 102 102 LYS H H 1 8.500 0.030 . 1 . . . A 102 LYS H . 11472 1 1226 . 1 1 102 102 LYS HA H 1 4.271 0.030 . 1 . . . A 102 LYS HA . 11472 1 1227 . 1 1 102 102 LYS HB2 H 1 1.768 0.030 . 2 . . . A 102 LYS HB2 . 11472 1 1228 . 1 1 102 102 LYS HB3 H 1 1.701 0.030 . 2 . . . A 102 LYS HB3 . 11472 1 1229 . 1 1 102 102 LYS HG2 H 1 1.420 0.030 . 2 . . . A 102 LYS HG2 . 11472 1 1230 . 1 1 102 102 LYS HG3 H 1 1.420 0.030 . 2 . . . A 102 LYS HG3 . 11472 1 1231 . 1 1 102 102 LYS HD2 H 1 1.637 0.030 . 2 . . . A 102 LYS HD2 . 11472 1 1232 . 1 1 102 102 LYS HD3 H 1 1.637 0.030 . 2 . . . A 102 LYS HD3 . 11472 1 1233 . 1 1 102 102 LYS HE2 H 1 2.952 0.030 . 2 . . . A 102 LYS HE2 . 11472 1 1234 . 1 1 102 102 LYS HE3 H 1 2.952 0.030 . 2 . . . A 102 LYS HE3 . 11472 1 1235 . 1 1 102 102 LYS C C 13 177.000 0.300 . 1 . . . A 102 LYS C . 11472 1 1236 . 1 1 102 102 LYS CA C 13 56.329 0.300 . 1 . . . A 102 LYS CA . 11472 1 1237 . 1 1 102 102 LYS CB C 13 33.038 0.300 . 1 . . . A 102 LYS CB . 11472 1 1238 . 1 1 102 102 LYS CG C 13 24.698 0.300 . 1 . . . A 102 LYS CG . 11472 1 1239 . 1 1 102 102 LYS CD C 13 28.958 0.300 . 1 . . . A 102 LYS CD . 11472 1 1240 . 1 1 102 102 LYS CE C 13 42.091 0.300 . 1 . . . A 102 LYS CE . 11472 1 1241 . 1 1 102 102 LYS N N 15 123.449 0.300 . 1 . . . A 102 LYS N . 11472 1 1242 . 1 1 103 103 GLY H H 1 8.438 0.030 . 1 . . . A 103 GLY H . 11472 1 1243 . 1 1 103 103 GLY HA2 H 1 3.851 0.030 . 2 . . . A 103 GLY HA2 . 11472 1 1244 . 1 1 103 103 GLY HA3 H 1 3.851 0.030 . 2 . . . A 103 GLY HA3 . 11472 1 1245 . 1 1 103 103 GLY C C 13 173.892 0.300 . 1 . . . A 103 GLY C . 11472 1 1246 . 1 1 103 103 GLY CA C 13 45.190 0.300 . 1 . . . A 103 GLY CA . 11472 1 1247 . 1 1 103 103 GLY N N 15 110.828 0.300 . 1 . . . A 103 GLY N . 11472 1 1248 . 1 1 104 104 VAL H H 1 7.706 0.030 . 1 . . . A 104 VAL H . 11472 1 1249 . 1 1 104 104 VAL HA H 1 4.015 0.030 . 1 . . . A 104 VAL HA . 11472 1 1250 . 1 1 104 104 VAL HB H 1 2.070 0.030 . 1 . . . A 104 VAL HB . 11472 1 1251 . 1 1 104 104 VAL HG11 H 1 0.872 0.030 . 2 . . . A 104 VAL HG11 . 11472 1 1252 . 1 1 104 104 VAL HG12 H 1 0.872 0.030 . 2 . . . A 104 VAL HG12 . 11472 1 1253 . 1 1 104 104 VAL HG13 H 1 0.872 0.030 . 2 . . . A 104 VAL HG13 . 11472 1 1254 . 1 1 104 104 VAL HG21 H 1 0.833 0.030 . 2 . . . A 104 VAL HG21 . 11472 1 1255 . 1 1 104 104 VAL HG22 H 1 0.833 0.030 . 2 . . . A 104 VAL HG22 . 11472 1 1256 . 1 1 104 104 VAL HG23 H 1 0.833 0.030 . 2 . . . A 104 VAL HG23 . 11472 1 1257 . 1 1 104 104 VAL C C 13 176.311 0.300 . 1 . . . A 104 VAL C . 11472 1 1258 . 1 1 104 104 VAL CA C 13 63.506 0.300 . 1 . . . A 104 VAL CA . 11472 1 1259 . 1 1 104 104 VAL CB C 13 32.986 0.300 . 1 . . . A 104 VAL CB . 11472 1 1260 . 1 1 104 104 VAL CG1 C 13 21.546 0.300 . 2 . . . A 104 VAL CG1 . 11472 1 1261 . 1 1 104 104 VAL CG2 C 13 19.955 0.300 . 2 . . . A 104 VAL CG2 . 11472 1 1262 . 1 1 104 104 VAL N N 15 122.836 0.300 . 1 . . . A 104 VAL N . 11472 1 1263 . 2 2 1 1 ATP H1' H 1 6.072 0.000 . . . . . A 201 ATP H1' . 11472 1 1264 . 2 2 1 1 ATP H2 H 1 8.160 0.000 . . . . . A 201 ATP H2 . 11472 1 1265 . 2 2 1 1 ATP H2' H 1 4.758 0.000 . . . . . A 201 ATP H2' . 11472 1 1266 . 2 2 1 1 ATP H3' H 1 4.580 0.000 . . . . . A 201 ATP H3' . 11472 1 1267 . 2 2 1 1 ATP H4' H 1 4.345 0.000 . . . . . A 201 ATP H4' . 11472 1 1268 . 2 2 1 1 ATP H5'1 H 1 4.155 0.000 . . . . . A 201 ATP H5'1 . 11472 1 1269 . 2 2 1 1 ATP H5'2 H 1 4.256 0.000 . . . . . A 201 ATP H5'2 . 11472 1 1270 . 2 2 1 1 ATP H8 H 1 8.477 0.000 . . . . . A 201 ATP H8 . 11472 1 stop_ save_