data_16671 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16671 _Entry.Title ; Mechanism for the selective interaction of C-terminal EH-domain proteins with specific NPF-containing partners ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-01-11 _Entry.Accession_date 2010-01-11 _Entry.Last_release_date 2015-04-09 _Entry.Original_release_date 2015-04-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Fabien KIEKEN . . . 16671 2 Mahak SHARMA . . . 16671 3 Marko JOVIC . . . 16671 4 'Sai Srnivas' 'PANAPAKKAM GIRIDHARAN' . . . 16671 5 Naava NASLAVSKY . . . 16671 6 Steve CAPLAN . . . 16671 7 Paul SORGEN . . . 16671 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16671 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EHD1 . 16671 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16671 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 365 16671 '15N chemical shifts' 92 16671 '1H chemical shifts' 823 16671 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 4 . . 2015-04-09 2010-01-11 update BMRB 'update ligand' 16671 3 . . 2010-06-03 2010-01-11 update BMRB 'edit assembly name' 16671 2 . . 2010-03-19 2010-01-11 update BMRB 'completed entry citation' 16671 1 . . 2010-02-23 2010-01-11 original author 'original release' 16671 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KSP 'BMRB Entry Tracking System' 16671 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16671 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20106972 _Citation.Full_citation . _Citation.Title ; Mechanism for the Selective Interaction of C-terminal Eps15 Homology Domain Proteins with Specific Asn-Pro-Phe-containing Partners. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 12 _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 8687 _Citation.Page_last 8694 _Citation.Year 2010 _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 Fabien Kieken . . . 16671 1 2 Mahak Sharma . . . 16671 1 3 Marko Jovic . . . 16671 1 4 'Sai Srinivas Panapakkam' Giridharan . . . 16671 1 5 Naava Naslavsky . . . 16671 1 6 Steve Caplan . . . 16671 1 7 Paul Sorgen . L. . 16671 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16671 _Assembly.ID 1 _Assembly.Name 'EH-domain proteins with specific NPF-containing partners' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 EH_domain_of_EHD1 1 $EH_domain_of_EHD1 A . yes native no no . . . 16671 1 2 MICAL_L1_like_peptide 2 $MICAL_L1_like_peptide B . yes native no no . . . 16671 1 3 'Calcium ion' 3 $entity_CA C . no native no no . . . 16671 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EH_domain_of_EHD1 _Entity.Sf_category entity _Entity.Sf_framecode EH_domain_of_EHD1 _Entity.Entry_ID 16671 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EH_domain_of_EHD1 _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 ; GPLGSDDVEWVVGKDKPTYD EIFYTLSPVNGKITGANAKK EMVKSKLPNTVLGKIWKLAD VDKDGLLDDEEFALANHLIK VKLEGHELPADLPPHLVPPS KRRHE ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11654.459 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15279 . "EH domain of EHD1" . . . . . 97.14 139 99.02 99.02 8.77e-64 . . . . 16671 1 2 no BMRB 16179 . EH_domain_of_EHD1 . . . . . 100.00 105 100.00 100.00 2.43e-67 . . . . 16671 1 3 no BMRB 16180 . EH_domain_of_EHD1 . . . . . 100.00 105 100.00 100.00 2.43e-67 . . . . 16671 1 4 no BMRB 16181 . EH_domain_of_EHD1 . . . . . 100.00 105 100.00 100.00 2.43e-67 . . . . 16671 1 5 no PDB 2JQ6 . "Structure Of Eh-Domain Of Ehd1" . . . . . 97.14 139 99.02 99.02 8.77e-64 . . . . 16671 1 6 no PDB 2KFF . "Structure Of The C-Terminal Domain Of Ehd1 With Fnyestnpftak" . . . . . 100.00 105 100.00 100.00 2.43e-67 . . . . 16671 1 7 no PDB 2KFG . "Structure Of The C-Terminal Domain Of Ehd1 In Complex With Fnyestdpftak" . . . . . 100.00 105 100.00 100.00 2.43e-67 . . . . 16671 1 8 no PDB 2KFH . "Structure Of The C-Terminal Domain Of Ehd1 With Fnyestgpftak" . . . . . 100.00 105 100.00 100.00 2.43e-67 . . . . 16671 1 9 no PDB 2KSP . "Mechanism For The Selective Interaction Of C-Terminal Eh-Dom Proteins With Specific Npf-Containing Partners" . . . . . 100.00 105 100.00 100.00 2.43e-67 . . . . 16671 1 10 no DBJ BAB28540 . "unnamed protein product [Mus musculus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16671 1 11 no DBJ BAC40684 . "unnamed protein product [Mus musculus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16671 1 12 no DBJ BAE32742 . "unnamed protein product [Mus musculus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16671 1 13 no DBJ BAE35499 . "unnamed protein product [Mus musculus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16671 1 14 no DBJ BAE35852 . "unnamed protein product [Mus musculus]" . . . . . 97.14 534 98.04 99.02 7.81e-61 . . . . 16671 1 15 no EMBL CAH90816 . "hypothetical protein [Pongo abelii]" . . . . . 97.14 534 99.02 99.02 6.01e-61 . . . . 16671 1 16 no GB AAB81204 . "Hpast [Homo sapiens]" . . . . . 97.14 534 98.04 98.04 6.07e-60 . . . . 16671 1 17 no GB AAD45423 . "EH domain-containing protein EHD1 [Mus musculus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16671 1 18 no GB AAF24223 . "MPAST1 [Mus musculus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16671 1 19 no GB AAG02009 . "similar to Homo sapiens Hpast (HPAST) mRNA with GenBank Accession Number AF001434.1 [Homo sapiens]" . . . . . 92.38 534 98.97 98.97 9.84e-57 . . . . 16671 1 20 no GB AAH37094 . "EH-domain containing 1, partial [Mus musculus]" . . . . . 97.14 556 98.04 99.02 1.28e-60 . . . . 16671 1 21 no REF NP_001011939 . "EH domain-containing protein 1 [Rattus norvegicus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16671 1 22 no REF NP_001015578 . "EH domain-containing protein 1 [Bos taurus]" . . . . . 97.14 534 98.04 99.02 1.11e-60 . . . . 16671 1 23 no REF NP_001125465 . "EH domain-containing protein 1 [Pongo abelii]" . . . . . 97.14 534 99.02 99.02 6.01e-61 . . . . 16671 1 24 no REF NP_001162473 . "EH domain-containing protein 1 [Papio anubis]" . . . . . 97.14 534 99.02 99.02 6.01e-61 . . . . 16671 1 25 no REF NP_001248124 . "EH domain-containing protein 1 [Macaca mulatta]" . . . . . 97.14 534 99.02 99.02 6.01e-61 . . . . 16671 1 26 no SP Q5E9R3 . "RecName: Full=EH domain-containing protein 1" . . . . . 97.14 534 98.04 99.02 1.11e-60 . . . . 16671 1 27 no SP Q5RBP4 . "RecName: Full=EH domain-containing protein 1" . . . . . 97.14 534 99.02 99.02 6.01e-61 . . . . 16671 1 28 no SP Q641Z6 . "RecName: Full=EH domain-containing protein 1" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16671 1 29 no SP Q9H4M9 . "RecName: Full=EH domain-containing protein 1; AltName: Full=PAST homolog 1; Short=hPAST1; AltName: Full=Testilin" . . . . . 97.14 534 99.02 99.02 6.01e-61 . . . . 16671 1 30 no SP Q9WVK4 . "RecName: Full=EH domain-containing protein 1; AltName: Full=PAST homolog 1; Short=mPAST1" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16671 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 35 GLY . 16671 1 2 36 PRO . 16671 1 3 37 LEU . 16671 1 4 38 GLY . 16671 1 5 39 SER . 16671 1 6 40 ASP . 16671 1 7 41 ASP . 16671 1 8 42 VAL . 16671 1 9 43 GLU . 16671 1 10 44 TRP . 16671 1 11 45 VAL . 16671 1 12 46 VAL . 16671 1 13 47 GLY . 16671 1 14 48 LYS . 16671 1 15 49 ASP . 16671 1 16 50 LYS . 16671 1 17 51 PRO . 16671 1 18 52 THR . 16671 1 19 53 TYR . 16671 1 20 54 ASP . 16671 1 21 55 GLU . 16671 1 22 56 ILE . 16671 1 23 57 PHE . 16671 1 24 58 TYR . 16671 1 25 59 THR . 16671 1 26 60 LEU . 16671 1 27 61 SER . 16671 1 28 62 PRO . 16671 1 29 63 VAL . 16671 1 30 64 ASN . 16671 1 31 65 GLY . 16671 1 32 66 LYS . 16671 1 33 67 ILE . 16671 1 34 68 THR . 16671 1 35 69 GLY . 16671 1 36 70 ALA . 16671 1 37 71 ASN . 16671 1 38 72 ALA . 16671 1 39 73 LYS . 16671 1 40 74 LYS . 16671 1 41 75 GLU . 16671 1 42 76 MET . 16671 1 43 77 VAL . 16671 1 44 78 LYS . 16671 1 45 79 SER . 16671 1 46 80 LYS . 16671 1 47 81 LEU . 16671 1 48 82 PRO . 16671 1 49 83 ASN . 16671 1 50 84 THR . 16671 1 51 85 VAL . 16671 1 52 86 LEU . 16671 1 53 87 GLY . 16671 1 54 88 LYS . 16671 1 55 89 ILE . 16671 1 56 90 TRP . 16671 1 57 91 LYS . 16671 1 58 92 LEU . 16671 1 59 93 ALA . 16671 1 60 94 ASP . 16671 1 61 95 VAL . 16671 1 62 96 ASP . 16671 1 63 97 LYS . 16671 1 64 98 ASP . 16671 1 65 99 GLY . 16671 1 66 100 LEU . 16671 1 67 101 LEU . 16671 1 68 102 ASP . 16671 1 69 103 ASP . 16671 1 70 104 GLU . 16671 1 71 105 GLU . 16671 1 72 106 PHE . 16671 1 73 107 ALA . 16671 1 74 108 LEU . 16671 1 75 109 ALA . 16671 1 76 110 ASN . 16671 1 77 111 HIS . 16671 1 78 112 LEU . 16671 1 79 113 ILE . 16671 1 80 114 LYS . 16671 1 81 115 VAL . 16671 1 82 116 LYS . 16671 1 83 117 LEU . 16671 1 84 118 GLU . 16671 1 85 119 GLY . 16671 1 86 120 HIS . 16671 1 87 121 GLU . 16671 1 88 122 LEU . 16671 1 89 123 PRO . 16671 1 90 124 ALA . 16671 1 91 125 ASP . 16671 1 92 126 LEU . 16671 1 93 127 PRO . 16671 1 94 128 PRO . 16671 1 95 129 HIS . 16671 1 96 130 LEU . 16671 1 97 131 VAL . 16671 1 98 132 PRO . 16671 1 99 133 PRO . 16671 1 100 134 SER . 16671 1 101 135 LYS . 16671 1 102 136 ARG . 16671 1 103 137 ARG . 16671 1 104 138 HIS . 16671 1 105 139 GLU . 16671 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 . GLY 1 1 16671 1 . PRO 2 2 16671 1 . LEU 3 3 16671 1 . GLY 4 4 16671 1 . SER 5 5 16671 1 . ASP 6 6 16671 1 . ASP 7 7 16671 1 . VAL 8 8 16671 1 . GLU 9 9 16671 1 . TRP 10 10 16671 1 . VAL 11 11 16671 1 . VAL 12 12 16671 1 . GLY 13 13 16671 1 . LYS 14 14 16671 1 . ASP 15 15 16671 1 . LYS 16 16 16671 1 . PRO 17 17 16671 1 . THR 18 18 16671 1 . TYR 19 19 16671 1 . ASP 20 20 16671 1 . GLU 21 21 16671 1 . ILE 22 22 16671 1 . PHE 23 23 16671 1 . TYR 24 24 16671 1 . THR 25 25 16671 1 . LEU 26 26 16671 1 . SER 27 27 16671 1 . PRO 28 28 16671 1 . VAL 29 29 16671 1 . ASN 30 30 16671 1 . GLY 31 31 16671 1 . LYS 32 32 16671 1 . ILE 33 33 16671 1 . THR 34 34 16671 1 . GLY 35 35 16671 1 . ALA 36 36 16671 1 . ASN 37 37 16671 1 . ALA 38 38 16671 1 . LYS 39 39 16671 1 . LYS 40 40 16671 1 . GLU 41 41 16671 1 . MET 42 42 16671 1 . VAL 43 43 16671 1 . LYS 44 44 16671 1 . SER 45 45 16671 1 . LYS 46 46 16671 1 . LEU 47 47 16671 1 . PRO 48 48 16671 1 . ASN 49 49 16671 1 . THR 50 50 16671 1 . VAL 51 51 16671 1 . LEU 52 52 16671 1 . GLY 53 53 16671 1 . LYS 54 54 16671 1 . ILE 55 55 16671 1 . TRP 56 56 16671 1 . LYS 57 57 16671 1 . LEU 58 58 16671 1 . ALA 59 59 16671 1 . ASP 60 60 16671 1 . VAL 61 61 16671 1 . ASP 62 62 16671 1 . LYS 63 63 16671 1 . ASP 64 64 16671 1 . GLY 65 65 16671 1 . LEU 66 66 16671 1 . LEU 67 67 16671 1 . ASP 68 68 16671 1 . ASP 69 69 16671 1 . GLU 70 70 16671 1 . GLU 71 71 16671 1 . PHE 72 72 16671 1 . ALA 73 73 16671 1 . LEU 74 74 16671 1 . ALA 75 75 16671 1 . ASN 76 76 16671 1 . HIS 77 77 16671 1 . LEU 78 78 16671 1 . ILE 79 79 16671 1 . LYS 80 80 16671 1 . VAL 81 81 16671 1 . LYS 82 82 16671 1 . LEU 83 83 16671 1 . GLU 84 84 16671 1 . GLY 85 85 16671 1 . HIS 86 86 16671 1 . GLU 87 87 16671 1 . LEU 88 88 16671 1 . PRO 89 89 16671 1 . ALA 90 90 16671 1 . ASP 91 91 16671 1 . LEU 92 92 16671 1 . PRO 93 93 16671 1 . PRO 94 94 16671 1 . HIS 95 95 16671 1 . LEU 96 96 16671 1 . VAL 97 97 16671 1 . PRO 98 98 16671 1 . PRO 99 99 16671 1 . SER 100 100 16671 1 . LYS 101 101 16671 1 . ARG 102 102 16671 1 . ARG 103 103 16671 1 . HIS 104 104 16671 1 . GLU 105 105 16671 1 stop_ save_ save_MICAL_L1_like_peptide _Entity.Sf_category entity _Entity.Sf_framecode MICAL_L1_like_peptide _Entity.Entry_ID 16671 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MICAL_L1_like_peptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LESKPYNPFEEEEED ; _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 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1419.530 _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 1 143 LEU . 16671 2 2 144 GLU . 16671 2 3 145 SER . 16671 2 4 146 LYS . 16671 2 5 147 PRO . 16671 2 6 148 TYR . 16671 2 7 149 ASN . 16671 2 8 150 PRO . 16671 2 9 151 PHE . 16671 2 10 152 GLU . 16671 2 11 153 GLU . 16671 2 12 154 GLU . 16671 2 13 155 GLU . 16671 2 14 156 GLU . 16671 2 15 157 ASP . 16671 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . LEU 1 1 16671 2 . GLU 2 2 16671 2 . SER 3 3 16671 2 . LYS 4 4 16671 2 . PRO 5 5 16671 2 . TYR 6 6 16671 2 . ASN 7 7 16671 2 . PRO 8 8 16671 2 . PHE 9 9 16671 2 . GLU 10 10 16671 2 . GLU 11 11 16671 2 . GLU 12 12 16671 2 . GLU 13 13 16671 2 . GLU 14 14 16671 2 . ASP 15 15 16671 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 16671 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 16671 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 16671 3 CA 'Three letter code' 16671 3 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 CA $chem_comp_CA 16671 3 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 16671 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $EH_domain_of_EHD1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 16671 1 2 2 $MICAL_L1_like_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 16671 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 16671 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $EH_domain_of_EHD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . PGex6p-2 . . . 16671 1 2 2 $MICAL_L1_like_peptide . 'chemical synthesis' . . . . . . . . . . . . . . . . 16671 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 16671 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _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 . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 16671 CA InChI=1S/Ca/q+2 InChI InChI 1.03 16671 CA [Ca++] SMILES CACTVS 3.341 16671 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 16671 CA [Ca+2] SMILES ACDLabs 10.04 16671 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 16671 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16671 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 16671 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16671 CA 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 CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 16671 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16671 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Tris, 100Kcl, 2mM Cacl2' _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 'EH domain of EHD1' '[U-99% 13C; U-99% 15N]' . . 1 $EH_domain_of_EHD1 . . 0.6 . . mM . . . . 16671 1 2 'MICAL L1 like peptide' 'natural abundance' . . 2 $MICAL_L1_like_peptide . . 2 . . mM . . . . 16671 1 3 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 16671 1 4 Kcl 'natural abundance' . . . . . . 100 . . mM . . . . 16671 1 5 Cac12 'natural abundance' . . . . . . 2 . . mM . . . . 16671 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16671 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16671 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 16671 _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' 0.1 . M 16671 1 pH 7.0 . pH 16671 1 pressure 1 . atm 16671 1 temperature 298 . K 16671 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16671 _Software.ID 1 _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' . . 16671 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16671 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16671 _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' . . 16671 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16671 2 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16671 _Software.ID 3 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16671 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16671 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16671 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16671 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16671 4 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 16671 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16671 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 16671 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 16671 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16671 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16671 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16671 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16671 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16671 1 6 '2D 13CFiltered-13CfilteredNOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16671 1 7 '2D 13C-filtered-15N editedNOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16671 1 8 '2D 15N filtered Noesy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16671 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 16671 _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 water protons . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16671 1 H 1 water protons . . . . ppm 4.758 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16671 1 N 15 water protons . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16671 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 16671 _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 4 '3D 1H-15N NOESY' . . . 16671 1 5 '3D 1H-13C NOESY' . . . 16671 1 7 '2D 13C-filtered-15N editedNOESY' . . . 16671 1 8 '2D 15N filtered Noesy' . . . 16671 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 16671 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 6 6 ASP HA H 1 4.430 . . 1 . . . . 40 D HA . 16671 1 2 . 1 1 7 7 ASP H H 1 8.479 . . 1 . . . . 41 D HN . 16671 1 3 . 1 1 7 7 ASP HA H 1 4.640 . . 1 . . . . 41 D HA . 16671 1 4 . 1 1 7 7 ASP HB2 H 1 2.640 . . 2 . . . . 41 D HB1 . 16671 1 5 . 1 1 7 7 ASP HB3 H 1 2.640 . . 2 . . . . 41 D HB2 . 16671 1 6 . 1 1 7 7 ASP CA C 13 52.900 . . 1 . . . . 41 D CA . 16671 1 7 . 1 1 7 7 ASP CB C 13 39.760 . . 1 . . . . 41 D CB . 16671 1 8 . 1 1 7 7 ASP N N 15 124.447 . . 1 . . . . 41 D N . 16671 1 9 . 1 1 8 8 VAL H H 1 7.916 . . 1 . . . . 42 V HN . 16671 1 10 . 1 1 8 8 VAL HA H 1 4.142 . . 1 . . . . 42 V HA . 16671 1 11 . 1 1 8 8 VAL HB H 1 2.050 . . 1 . . . . 42 V HB . 16671 1 12 . 1 1 8 8 VAL HG11 H 1 0.914 . . 2 . . . . 42 V HG11 . 16671 1 13 . 1 1 8 8 VAL HG12 H 1 0.914 . . 2 . . . . 42 V HG11 . 16671 1 14 . 1 1 8 8 VAL HG13 H 1 0.914 . . 2 . . . . 42 V HG11 . 16671 1 15 . 1 1 8 8 VAL HG21 H 1 0.917 . . 2 . . . . 42 V HG21 . 16671 1 16 . 1 1 8 8 VAL HG22 H 1 0.917 . . 2 . . . . 42 V HG21 . 16671 1 17 . 1 1 8 8 VAL HG23 H 1 0.917 . . 2 . . . . 42 V HG21 . 16671 1 18 . 1 1 8 8 VAL CA C 13 60.460 . . 1 . . . . 42 V CA . 16671 1 19 . 1 1 8 8 VAL CB C 13 31.579 . . 1 . . . . 42 V CB . 16671 1 20 . 1 1 8 8 VAL CG1 C 13 19.740 . . 1 . . . . 42 V CG1 . 16671 1 21 . 1 1 8 8 VAL CG2 C 13 19.000 . . 1 . . . . 42 V CG2 . 16671 1 22 . 1 1 8 8 VAL N N 15 120.853 . . 1 . . . . 42 V N . 16671 1 23 . 1 1 9 9 GLU H H 1 8.476 . . 1 . . . . 43 E HN . 16671 1 24 . 1 1 9 9 GLU HA H 1 4.290 . . 1 . . . . 43 E HA . 16671 1 25 . 1 1 9 9 GLU HB2 H 1 2.000 . . 2 . . . . 43 E HB1 . 16671 1 26 . 1 1 9 9 GLU HB3 H 1 2.000 . . 2 . . . . 43 E HB2 . 16671 1 27 . 1 1 9 9 GLU HG2 H 1 2.170 . . 2 . . . . 43 E HG1 . 16671 1 28 . 1 1 9 9 GLU HG3 H 1 2.280 . . 2 . . . . 43 E HG2 . 16671 1 29 . 1 1 9 9 GLU CA C 13 55.300 . . 1 . . . . 43 E CA . 16671 1 30 . 1 1 9 9 GLU CB C 13 29.120 . . 1 . . . . 43 E CB . 16671 1 31 . 1 1 9 9 GLU CG C 13 34.800 . . 1 . . . . 43 E CG . 16671 1 32 . 1 1 9 9 GLU N N 15 127.650 . . 1 . . . . 43 E N . 16671 1 33 . 1 1 10 10 TRP H H 1 8.839 . . 1 . . . . 44 W HN . 16671 1 34 . 1 1 10 10 TRP HA H 1 5.230 . . 1 . . . . 44 W HA . 16671 1 35 . 1 1 10 10 TRP HB2 H 1 2.870 . . 2 . . . . 44 W HB1 . 16671 1 36 . 1 1 10 10 TRP HB3 H 1 3.550 . . 2 . . . . 44 W HB2 . 16671 1 37 . 1 1 10 10 TRP HD1 H 1 7.490 . . 1 . . . . 44 W HD1 . 16671 1 38 . 1 1 10 10 TRP HE1 H 1 9.318 . . 3 . . . . 44 W HE1 . 16671 1 39 . 1 1 10 10 TRP HE3 H 1 7.700 . . 3 . . . . 44 W HE3 . 16671 1 40 . 1 1 10 10 TRP HH2 H 1 7.330 . . 1 . . . . 44 W HH2 . 16671 1 41 . 1 1 10 10 TRP HZ2 H 1 7.240 . . 3 . . . . 44 W HZ2 . 16671 1 42 . 1 1 10 10 TRP HZ3 H 1 7.120 . . 3 . . . . 44 W HZ3 . 16671 1 43 . 1 1 10 10 TRP CA C 13 54.430 . . 1 . . . . 44 W CA . 16671 1 44 . 1 1 10 10 TRP CB C 13 27.230 . . 1 . . . . 44 W CB . 16671 1 45 . 1 1 10 10 TRP CD1 C 13 123.390 . . 3 . . . . 44 W CD1 . 16671 1 46 . 1 1 10 10 TRP CE3 C 13 119.000 . . 3 . . . . 44 W CE3 . 16671 1 47 . 1 1 10 10 TRP CH2 C 13 121.500 . . 1 . . . . 44 W CH2 . 16671 1 48 . 1 1 10 10 TRP CZ2 C 13 109.500 . . 3 . . . . 44 W CZ2 . 16671 1 49 . 1 1 10 10 TRP CZ3 C 13 118.100 . . 3 . . . . 44 W CZ3 . 16671 1 50 . 1 1 10 10 TRP N N 15 126.378 . . 1 . . . . 44 W N . 16671 1 51 . 1 1 11 11 VAL H H 1 9.230 . . 1 . . . . 45 V HN . 16671 1 52 . 1 1 11 11 VAL HA H 1 3.891 . . 1 . . . . 45 V HA . 16671 1 53 . 1 1 11 11 VAL HB H 1 2.140 . . 1 . . . . 45 V HB . 16671 1 54 . 1 1 11 11 VAL HG11 H 1 0.841 . . 2 . . . . 45 V HG11 . 16671 1 55 . 1 1 11 11 VAL HG12 H 1 0.841 . . 2 . . . . 45 V HG11 . 16671 1 56 . 1 1 11 11 VAL HG13 H 1 0.841 . . 2 . . . . 45 V HG11 . 16671 1 57 . 1 1 11 11 VAL HG21 H 1 0.827 . . 2 . . . . 45 V HG21 . 16671 1 58 . 1 1 11 11 VAL HG22 H 1 0.827 . . 2 . . . . 45 V HG21 . 16671 1 59 . 1 1 11 11 VAL HG23 H 1 0.827 . . 2 . . . . 45 V HG21 . 16671 1 60 . 1 1 11 11 VAL CA C 13 63.500 . . 1 . . . . 45 V CA . 16671 1 61 . 1 1 11 11 VAL CB C 13 30.420 . . 1 . . . . 45 V CB . 16671 1 62 . 1 1 11 11 VAL CG1 C 13 18.810 . . 1 . . . . 45 V CG1 . 16671 1 63 . 1 1 11 11 VAL CG2 C 13 19.500 . . 1 . . . . 45 V CG2 . 16671 1 64 . 1 1 11 11 VAL N N 15 131.353 . . 1 . . . . 45 V N . 16671 1 65 . 1 1 12 12 VAL H H 1 5.030 . . 1 . . . . 46 V HN . 16671 1 66 . 1 1 12 12 VAL HA H 1 3.040 . . 1 . . . . 46 V HA . 16671 1 67 . 1 1 12 12 VAL HB H 1 -1.240 . . 1 . . . . 46 V HB . 16671 1 68 . 1 1 12 12 VAL HG11 H 1 -0.189 . . 2 . . . . 46 V HG11 . 16671 1 69 . 1 1 12 12 VAL HG12 H 1 -0.189 . . 2 . . . . 46 V HG11 . 16671 1 70 . 1 1 12 12 VAL HG13 H 1 -0.189 . . 2 . . . . 46 V HG11 . 16671 1 71 . 1 1 12 12 VAL HG21 H 1 0.531 . . 2 . . . . 46 V HG21 . 16671 1 72 . 1 1 12 12 VAL HG22 H 1 0.531 . . 2 . . . . 46 V HG21 . 16671 1 73 . 1 1 12 12 VAL HG23 H 1 0.531 . . 2 . . . . 46 V HG21 . 16671 1 74 . 1 1 12 12 VAL CA C 13 60.690 . . 1 . . . . 46 V CA . 16671 1 75 . 1 1 12 12 VAL CB C 13 29.280 . . 1 . . . . 46 V CB . 16671 1 76 . 1 1 12 12 VAL CG1 C 13 20.700 . . 1 . . . . 46 V CG1 . 16671 1 77 . 1 1 12 12 VAL CG2 C 13 22.050 . . 1 . . . . 46 V CG2 . 16671 1 78 . 1 1 13 13 GLY H H 1 7.300 . . 1 . . . . 47 G HN . 16671 1 79 . 1 1 13 13 GLY HA2 H 1 3.590 . . 2 . . . . 47 G HA1 . 16671 1 80 . 1 1 13 13 GLY HA3 H 1 4.180 . . 2 . . . . 47 G HA2 . 16671 1 81 . 1 1 13 13 GLY CA C 13 46.400 . . 1 . . . . 47 G CA . 16671 1 82 . 1 1 13 13 GLY N N 15 106.100 . . 1 . . . . 47 G N . 16671 1 83 . 1 1 14 14 LYS H H 1 7.600 . . 1 . . . . 48 K HN . 16671 1 84 . 1 1 14 14 LYS HA H 1 4.066 . . 1 . . . . 48 K HA . 16671 1 85 . 1 1 14 14 LYS HB2 H 1 1.730 . . 2 . . . . 48 K HB1 . 16671 1 86 . 1 1 14 14 LYS HB3 H 1 1.840 . . 2 . . . . 48 K HB2 . 16671 1 87 . 1 1 14 14 LYS HD2 H 1 1.630 . . 2 . . . . 48 K HD1 . 16671 1 88 . 1 1 14 14 LYS HD3 H 1 1.630 . . 2 . . . . 48 K HD2 . 16671 1 89 . 1 1 14 14 LYS HE2 H 1 3.012 . . 2 . . . . 48 K HE1 . 16671 1 90 . 1 1 14 14 LYS HE3 H 1 3.012 . . 2 . . . . 48 K HE2 . 16671 1 91 . 1 1 14 14 LYS HG2 H 1 1.320 . . 2 . . . . 48 K HG1 . 16671 1 92 . 1 1 14 14 LYS HG3 H 1 1.360 . . 2 . . . . 48 K HG2 . 16671 1 93 . 1 1 14 14 LYS CA C 13 57.337 . . 1 . . . . 48 K CA . 16671 1 94 . 1 1 14 14 LYS CB C 13 30.490 . . 1 . . . . 48 K CB . 16671 1 95 . 1 1 14 14 LYS CD C 13 23.950 . . 1 . . . . 48 K CD . 16671 1 96 . 1 1 14 14 LYS CE C 13 40.700 . . 1 . . . . 48 K CE . 16671 1 97 . 1 1 14 14 LYS CG C 13 22.480 . . 1 . . . . 48 K CG . 16671 1 98 . 1 1 14 14 LYS N N 15 120.800 . . 1 . . . . 48 K N . 16671 1 99 . 1 1 15 15 ASP H H 1 7.309 . . 1 . . . . 49 D HN . 16671 1 100 . 1 1 15 15 ASP HA H 1 4.770 . . 1 . . . . 49 D HA . 16671 1 101 . 1 1 15 15 ASP HB2 H 1 2.330 . . 2 . . . . 49 D HB1 . 16671 1 102 . 1 1 15 15 ASP HB3 H 1 2.330 . . 2 . . . . 49 D HB2 . 16671 1 103 . 1 1 15 15 ASP CA C 13 52.880 . . 1 . . . . 49 D CA . 16671 1 104 . 1 1 15 15 ASP CB C 13 41.910 . . 1 . . . . 49 D CB . 16671 1 105 . 1 1 15 15 ASP N N 15 118.000 . . 1 . . . . 49 D N . 16671 1 106 . 1 1 16 16 LYS H H 1 7.506 . . 1 . . . . 50 K HN . 16671 1 107 . 1 1 16 16 LYS HA H 1 4.010 . . 1 . . . . 50 K HA . 16671 1 108 . 1 1 16 16 LYS HB2 H 1 1.700 . . 2 . . . . 50 K HB1 . 16671 1 109 . 1 1 16 16 LYS HB3 H 1 2.290 . . 2 . . . . 50 K HB2 . 16671 1 110 . 1 1 16 16 LYS HD2 H 1 1.830 . . 2 . . . . 50 K HD1 . 16671 1 111 . 1 1 16 16 LYS HD3 H 1 2.008 . . 2 . . . . 50 K HD2 . 16671 1 112 . 1 1 16 16 LYS HE2 H 1 2.820 . . 2 . . . . 50 K HE1 . 16671 1 113 . 1 1 16 16 LYS HE3 H 1 3.200 . . 2 . . . . 50 K HE2 . 16671 1 114 . 1 1 16 16 LYS HG2 H 1 1.520 . . 2 . . . . 50 K HG1 . 16671 1 115 . 1 1 16 16 LYS HG3 H 1 1.880 . . 2 . . . . 50 K HG2 . 16671 1 116 . 1 1 16 16 LYS CA C 13 60.180 . . 1 . . . . 50 K CA . 16671 1 117 . 1 1 16 16 LYS CB C 13 30.193 . . 1 . . . . 50 K CB . 16671 1 118 . 1 1 16 16 LYS CD C 13 29.600 . . 1 . . . . 50 K CD . 16671 1 119 . 1 1 16 16 LYS CE C 13 40.700 . . 1 . . . . 50 K CE . 16671 1 120 . 1 1 16 16 LYS CG C 13 24.640 . . 1 . . . . 50 K CG . 16671 1 121 . 1 1 16 16 LYS N N 15 123.633 . . 1 . . . . 50 K N . 16671 1 122 . 1 1 17 17 PRO HA H 1 4.420 . . 1 . . . . 51 P HA . 16671 1 123 . 1 1 17 17 PRO HB2 H 1 1.820 . . 2 . . . . 51 P HB1 . 16671 1 124 . 1 1 17 17 PRO HB3 H 1 2.420 . . 2 . . . . 51 P HB2 . 16671 1 125 . 1 1 17 17 PRO HD2 H 1 3.420 . . 2 . . . . 51 P HD1 . 16671 1 126 . 1 1 17 17 PRO HD3 H 1 3.760 . . 2 . . . . 51 P HD2 . 16671 1 127 . 1 1 17 17 PRO HG2 H 1 2.000 . . 2 . . . . 51 P HG1 . 16671 1 128 . 1 1 17 17 PRO HG3 H 1 2.130 . . 2 . . . . 51 P HG2 . 16671 1 129 . 1 1 17 17 PRO CA C 13 65.660 . . 1 . . . . 51 P CA . 16671 1 130 . 1 1 17 17 PRO CB C 13 29.600 . . 1 . . . . 51 P CB . 16671 1 131 . 1 1 17 17 PRO CD C 13 48.600 . . 1 . . . . 51 P CD . 16671 1 132 . 1 1 17 17 PRO CG C 13 27.450 . . 1 . . . . 51 P CG . 16671 1 133 . 1 1 18 18 THR H H 1 7.285 . . 1 . . . . 52 T HN . 16671 1 134 . 1 1 18 18 THR HA H 1 3.977 . . 1 . . . . 52 T HA . 16671 1 135 . 1 1 18 18 THR HB H 1 3.920 . . 1 . . . . 52 T HB . 16671 1 136 . 1 1 18 18 THR HG21 H 1 1.120 . . 1 . . . . 52 T HG21 . 16671 1 137 . 1 1 18 18 THR HG22 H 1 1.120 . . 1 . . . . 52 T HG21 . 16671 1 138 . 1 1 18 18 THR HG23 H 1 1.120 . . 1 . . . . 52 T HG21 . 16671 1 139 . 1 1 18 18 THR CA C 13 64.330 . . 1 . . . . 52 T CA . 16671 1 140 . 1 1 18 18 THR CB C 13 67.170 . . 1 . . . . 52 T CB . 16671 1 141 . 1 1 18 18 THR CG2 C 13 20.300 . . 1 . . . . 52 T CG2 . 16671 1 142 . 1 1 18 18 THR N N 15 115.000 . . 1 . . . . 52 T N . 16671 1 143 . 1 1 19 19 TYR H H 1 7.053 . . 1 . . . . 53 Y HN . 16671 1 144 . 1 1 19 19 TYR HA H 1 4.728 . . 1 . . . . 53 Y HA . 16671 1 145 . 1 1 19 19 TYR HB2 H 1 3.153 . . 2 . . . . 53 Y HB1 . 16671 1 146 . 1 1 19 19 TYR HB3 H 1 3.270 . . 2 . . . . 53 Y HB2 . 16671 1 147 . 1 1 19 19 TYR HD1 H 1 6.720 . . 3 . . . . 53 Y HD1 . 16671 1 148 . 1 1 19 19 TYR HD2 H 1 6.720 . . 3 . . . . 53 Y HD2 . 16671 1 149 . 1 1 19 19 TYR HE1 H 1 6.750 . . 3 . . . . 53 Y HE1 . 16671 1 150 . 1 1 19 19 TYR HE2 H 1 6.750 . . 3 . . . . 53 Y HE2 . 16671 1 151 . 1 1 19 19 TYR CA C 13 57.110 . . 1 . . . . 53 Y CA . 16671 1 152 . 1 1 19 19 TYR CB C 13 35.130 . . 1 . . . . 53 Y CB . 16671 1 153 . 1 1 19 19 TYR CD1 C 13 128.050 . . 3 . . . . 53 Y CD1 . 16671 1 154 . 1 1 19 19 TYR CD2 C 13 128.050 . . 3 . . . . 53 Y CD2 . 16671 1 155 . 1 1 19 19 TYR CE1 C 13 115.050 . . 3 . . . . 53 Y CE1 . 16671 1 156 . 1 1 19 19 TYR CE2 C 13 115.050 . . 3 . . . . 53 Y CE2 . 16671 1 157 . 1 1 19 19 TYR N N 15 125.200 . . 1 . . . . 53 Y N . 16671 1 158 . 1 1 20 20 ASP H H 1 9.596 . . 1 . . . . 54 D HN . 16671 1 159 . 1 1 20 20 ASP HA H 1 4.512 . . 1 . . . . 54 D HA . 16671 1 160 . 1 1 20 20 ASP HB2 H 1 2.800 . . 2 . . . . 54 D HB1 . 16671 1 161 . 1 1 20 20 ASP HB3 H 1 2.920 . . 2 . . . . 54 D HB2 . 16671 1 162 . 1 1 20 20 ASP CA C 13 55.515 . . 1 . . . . 54 D CA . 16671 1 163 . 1 1 20 20 ASP CB C 13 38.740 . . 1 . . . . 54 D CB . 16671 1 164 . 1 1 20 20 ASP N N 15 124.400 . . 1 . . . . 54 D N . 16671 1 165 . 1 1 21 21 GLU H H 1 7.309 . . 1 . . . . 55 E HN . 16671 1 166 . 1 1 21 21 GLU HA H 1 4.150 . . 1 . . . . 55 E HA . 16671 1 167 . 1 1 21 21 GLU HB2 H 1 2.190 . . 2 . . . . 55 E HB1 . 16671 1 168 . 1 1 21 21 GLU HB3 H 1 2.250 . . 2 . . . . 55 E HB2 . 16671 1 169 . 1 1 21 21 GLU HG2 H 1 2.350 . . 2 . . . . 55 E HG1 . 16671 1 170 . 1 1 21 21 GLU HG3 H 1 2.590 . . 2 . . . . 55 E HG2 . 16671 1 171 . 1 1 21 21 GLU CA C 13 58.100 . . 1 . . . . 55 E CA . 16671 1 172 . 1 1 21 21 GLU CB C 13 28.500 . . 1 . . . . 55 E CB . 16671 1 173 . 1 1 21 21 GLU CG C 13 35.000 . . 1 . . . . 55 E CG . 16671 1 174 . 1 1 21 21 GLU N N 15 118.000 . . 1 . . . . 55 E N . 16671 1 175 . 1 1 22 22 ILE H H 1 7.249 . . 1 . . . . 56 I HN . 16671 1 176 . 1 1 22 22 ILE HA H 1 3.946 . . 1 . . . . 56 I HA . 16671 1 177 . 1 1 22 22 ILE HB H 1 2.420 . . 1 . . . . 56 I HB . 16671 1 178 . 1 1 22 22 ILE HD11 H 1 1.055 . . 1 . . . . 56 I HD11 . 16671 1 179 . 1 1 22 22 ILE HD12 H 1 1.055 . . 1 . . . . 56 I HD11 . 16671 1 180 . 1 1 22 22 ILE HD13 H 1 1.055 . . 1 . . . . 56 I HD11 . 16671 1 181 . 1 1 22 22 ILE HG12 H 1 1.370 . . 1 . . . . 56 I HG11 . 16671 1 182 . 1 1 22 22 ILE HG13 H 1 1.941 . . 1 . . . . 56 I HG12 . 16671 1 183 . 1 1 22 22 ILE HG21 H 1 1.148 . . 2 . . . . 56 I HG21 . 16671 1 184 . 1 1 22 22 ILE HG22 H 1 1.148 . . 2 . . . . 56 I HG21 . 16671 1 185 . 1 1 22 22 ILE HG23 H 1 1.148 . . 2 . . . . 56 I HG21 . 16671 1 186 . 1 1 22 22 ILE CA C 13 62.300 . . 1 . . . . 56 I CA . 16671 1 187 . 1 1 22 22 ILE CB C 13 37.597 . . 1 . . . . 56 I CB . 16671 1 188 . 1 1 22 22 ILE CD1 C 13 11.640 . . 1 . . . . 56 I CD1 . 16671 1 189 . 1 1 22 22 ILE CG1 C 13 26.400 . . 2 . . . . 56 I CG1 . 16671 1 190 . 1 1 22 22 ILE CG2 C 13 16.440 . . 1 . . . . 56 I CG2 . 16671 1 191 . 1 1 22 22 ILE N N 15 118.700 . . 1 . . . . 56 I N . 16671 1 192 . 1 1 23 23 PHE H H 1 9.117 . . 1 . . . . 57 F HN . 16671 1 193 . 1 1 23 23 PHE HA H 1 3.094 . . 1 . . . . 57 F HA . 16671 1 194 . 1 1 23 23 PHE HB2 H 1 3.090 . . 2 . . . . 57 F HB1 . 16671 1 195 . 1 1 23 23 PHE HB3 H 1 3.260 . . 2 . . . . 57 F HB2 . 16671 1 196 . 1 1 23 23 PHE HD1 H 1 5.900 . . 3 . . . . 57 F HD1 . 16671 1 197 . 1 1 23 23 PHE HD2 H 1 5.900 . . 3 . . . . 57 F HD2 . 16671 1 198 . 1 1 23 23 PHE HE1 H 1 6.840 . . 3 . . . . 57 F HE1 . 16671 1 199 . 1 1 23 23 PHE HE2 H 1 6.840 . . 3 . . . . 57 F HE2 . 16671 1 200 . 1 1 23 23 PHE HZ H 1 7.260 . . 1 . . . . 57 F HZ . 16671 1 201 . 1 1 23 23 PHE CA C 13 61.330 . . 1 . . . . 57 F CA . 16671 1 202 . 1 1 23 23 PHE CB C 13 38.250 . . 1 . . . . 57 F CB . 16671 1 203 . 1 1 23 23 PHE CD1 C 13 127.500 . . 3 . . . . 57 F CD1 . 16671 1 204 . 1 1 23 23 PHE CD2 C 13 127.500 . . 3 . . . . 57 F CD2 . 16671 1 205 . 1 1 23 23 PHE CE1 C 13 127.800 . . 3 . . . . 57 F CE1 . 16671 1 206 . 1 1 23 23 PHE CE2 C 13 127.800 . . 3 . . . . 57 F CE2 . 16671 1 207 . 1 1 23 23 PHE CZ C 13 126.030 . . 1 . . . . 57 F CZ . 16671 1 208 . 1 1 23 23 PHE N N 15 127.639 . . 1 . . . . 57 F N . 16671 1 209 . 1 1 24 24 TYR H H 1 7.922 . . 1 . . . . 58 Y HN . 16671 1 210 . 1 1 24 24 TYR HA H 1 4.000 . . 1 . . . . 58 Y HA . 16671 1 211 . 1 1 24 24 TYR HB2 H 1 2.940 . . 2 . . . . 58 Y HB1 . 16671 1 212 . 1 1 24 24 TYR HB3 H 1 3.390 . . 2 . . . . 58 Y HB2 . 16671 1 213 . 1 1 24 24 TYR HD1 H 1 7.400 . . 3 . . . . 58 Y HD1 . 16671 1 214 . 1 1 24 24 TYR HD2 H 1 7.400 . . 3 . . . . 58 Y HD2 . 16671 1 215 . 1 1 24 24 TYR HE1 H 1 6.890 . . 3 . . . . 58 Y HE1 . 16671 1 216 . 1 1 24 24 TYR HE2 H 1 6.890 . . 3 . . . . 58 Y HE2 . 16671 1 217 . 1 1 24 24 TYR CA C 13 60.480 . . 1 . . . . 58 Y CA . 16671 1 218 . 1 1 24 24 TYR CB C 13 36.086 . . 1 . . . . 58 Y CB . 16671 1 219 . 1 1 24 24 TYR CD1 C 13 130.190 . . 3 . . . . 58 Y CD1 . 16671 1 220 . 1 1 24 24 TYR CD2 C 13 130.190 . . 3 . . . . 58 Y CD2 . 16671 1 221 . 1 1 24 24 TYR CE1 C 13 114.630 . . 3 . . . . 58 Y CE1 . 16671 1 222 . 1 1 24 24 TYR CE2 C 13 114.630 . . 3 . . . . 58 Y CE2 . 16671 1 223 . 1 1 24 24 TYR N N 15 112.500 . . 1 . . . . 58 Y N . 16671 1 224 . 1 1 25 25 THR H H 1 8.087 . . 1 . . . . 59 T HN . 16671 1 225 . 1 1 25 25 THR HA H 1 4.650 . . 1 . . . . 59 T HA . 16671 1 226 . 1 1 25 25 THR HB H 1 4.510 . . 1 . . . . 59 T HB . 16671 1 227 . 1 1 25 25 THR HG1 H 1 6.040 . . 1 . . . . 59 T HG1 . 16671 1 228 . 1 1 25 25 THR HG21 H 1 1.466 . . 1 . . . . 59 T HG21 . 16671 1 229 . 1 1 25 25 THR HG22 H 1 1.466 . . 1 . . . . 59 T HG21 . 16671 1 230 . 1 1 25 25 THR HG23 H 1 1.466 . . 1 . . . . 59 T HG21 . 16671 1 231 . 1 1 25 25 THR CA C 13 61.770 . . 1 . . . . 59 T CA . 16671 1 232 . 1 1 25 25 THR CB C 13 68.900 . . 1 . . . . 59 T CB . 16671 1 233 . 1 1 25 25 THR CG2 C 13 20.100 . . 1 . . . . 59 T CG2 . 16671 1 234 . 1 1 25 25 THR N N 15 112.500 . . 1 . . . . 59 T N . 16671 1 235 . 1 1 26 26 LEU H H 1 7.351 . . 1 . . . . 60 L HN . 16671 1 236 . 1 1 26 26 LEU HA H 1 4.450 . . 1 . . . . 60 L HA . 16671 1 237 . 1 1 26 26 LEU HB2 H 1 1.300 . . 2 . . . . 60 L HB1 . 16671 1 238 . 1 1 26 26 LEU HB3 H 1 1.510 . . 2 . . . . 60 L HB2 . 16671 1 239 . 1 1 26 26 LEU HD11 H 1 0.520 . . 2 . . . . 60 L HD11 . 16671 1 240 . 1 1 26 26 LEU HD12 H 1 0.520 . . 2 . . . . 60 L HD11 . 16671 1 241 . 1 1 26 26 LEU HD13 H 1 0.520 . . 2 . . . . 60 L HD11 . 16671 1 242 . 1 1 26 26 LEU HD21 H 1 0.720 . . 2 . . . . 60 L HD21 . 16671 1 243 . 1 1 26 26 LEU HD22 H 1 0.720 . . 2 . . . . 60 L HD21 . 16671 1 244 . 1 1 26 26 LEU HD23 H 1 0.720 . . 2 . . . . 60 L HD21 . 16671 1 245 . 1 1 26 26 LEU HG H 1 1.605 . . 1 . . . . 60 L HG . 16671 1 246 . 1 1 26 26 LEU CA C 13 52.500 . . 1 . . . . 60 L CA . 16671 1 247 . 1 1 26 26 LEU CB C 13 38.700 . . 1 . . . . 60 L CB . 16671 1 248 . 1 1 26 26 LEU CD1 C 13 25.850 . . 1 . . . . 60 L CD1 . 16671 1 249 . 1 1 26 26 LEU CD2 C 13 20.540 . . 1 . . . . 60 L CD2 . 16671 1 250 . 1 1 26 26 LEU CG C 13 24.150 . . 1 . . . . 60 L CG . 16671 1 251 . 1 1 26 26 LEU N N 15 125.700 . . 1 . . . . 60 L N . 16671 1 252 . 1 1 27 27 SER H H 1 7.870 . . 1 . . . . 61 S HN . 16671 1 253 . 1 1 27 27 SER HA H 1 3.980 . . 1 . . . . 61 S HA . 16671 1 254 . 1 1 27 27 SER HB2 H 1 3.830 . . 2 . . . . 61 S HB1 . 16671 1 255 . 1 1 27 27 SER HB3 H 1 3.920 . . 2 . . . . 61 S HB2 . 16671 1 256 . 1 1 27 27 SER CA C 13 56.300 . . 1 . . . . 61 S CA . 16671 1 257 . 1 1 27 27 SER CB C 13 60.230 . . 1 . . . . 61 S CB . 16671 1 258 . 1 1 27 27 SER N N 15 111.300 . . 1 . . . . 61 S N . 16671 1 259 . 1 1 28 28 PRO HA H 1 4.200 . . 1 . . . . 62 P HA . 16671 1 260 . 1 1 28 28 PRO HB2 H 1 1.160 . . 2 . . . . 62 P HB1 . 16671 1 261 . 1 1 28 28 PRO HB3 H 1 1.510 . . 2 . . . . 62 P HB2 . 16671 1 262 . 1 1 28 28 PRO HD2 H 1 3.110 . . 2 . . . . 62 P HD1 . 16671 1 263 . 1 1 28 28 PRO HD3 H 1 3.440 . . 2 . . . . 62 P HD2 . 16671 1 264 . 1 1 28 28 PRO HG2 H 1 1.270 . . 2 . . . . 62 P HG1 . 16671 1 265 . 1 1 28 28 PRO HG3 H 1 1.870 . . 2 . . . . 62 P HG2 . 16671 1 266 . 1 1 28 28 PRO CA C 13 61.600 . . 1 . . . . 62 P CA . 16671 1 267 . 1 1 28 28 PRO CB C 13 29.890 . . 1 . . . . 62 P CB . 16671 1 268 . 1 1 28 28 PRO CD C 13 48.990 . . 1 . . . . 62 P CD . 16671 1 269 . 1 1 28 28 PRO CG C 13 26.110 . . 1 . . . . 62 P CG . 16671 1 270 . 1 1 29 29 VAL H H 1 8.744 . . 1 . . . . 63 V HN . 16671 1 271 . 1 1 29 29 VAL HA H 1 4.180 . . 1 . . . . 63 V HA . 16671 1 272 . 1 1 29 29 VAL HB H 1 1.960 . . 1 . . . . 63 V HB . 16671 1 273 . 1 1 29 29 VAL HG11 H 1 0.923 . . 2 . . . . 63 V HG11 . 16671 1 274 . 1 1 29 29 VAL HG12 H 1 0.923 . . 2 . . . . 63 V HG11 . 16671 1 275 . 1 1 29 29 VAL HG13 H 1 0.923 . . 2 . . . . 63 V HG11 . 16671 1 276 . 1 1 29 29 VAL HG21 H 1 0.944 . . 2 . . . . 63 V HG21 . 16671 1 277 . 1 1 29 29 VAL HG22 H 1 0.944 . . 2 . . . . 63 V HG21 . 16671 1 278 . 1 1 29 29 VAL HG23 H 1 0.944 . . 2 . . . . 63 V HG21 . 16671 1 279 . 1 1 29 29 VAL CA C 13 60.660 . . 1 . . . . 63 V CA . 16671 1 280 . 1 1 29 29 VAL CB C 13 32.878 . . 1 . . . . 63 V CB . 16671 1 281 . 1 1 29 29 VAL CG1 C 13 19.460 . . 1 . . . . 63 V CG1 . 16671 1 282 . 1 1 29 29 VAL CG2 C 13 19.840 . . 1 . . . . 63 V CG2 . 16671 1 283 . 1 1 29 29 VAL N N 15 124.100 . . 1 . . . . 63 V N . 16671 1 284 . 1 1 30 30 ASN H H 1 9.713 . . 1 . . . . 64 N HN . 16671 1 285 . 1 1 30 30 ASN HA H 1 4.420 . . 1 . . . . 64 N HA . 16671 1 286 . 1 1 30 30 ASN HB2 H 1 2.820 . . 2 . . . . 64 N HB1 . 16671 1 287 . 1 1 30 30 ASN HB3 H 1 3.110 . . 2 . . . . 64 N HB2 . 16671 1 288 . 1 1 30 30 ASN HD21 H 1 7.690 . . 2 . . . . 64 N HD21 . 16671 1 289 . 1 1 30 30 ASN HD22 H 1 6.930 . . 2 . . . . 64 N HD22 . 16671 1 290 . 1 1 30 30 ASN CA C 13 52.940 . . 1 . . . . 64 N CA . 16671 1 291 . 1 1 30 30 ASN CB C 13 36.300 . . 1 . . . . 64 N CB . 16671 1 292 . 1 1 30 30 ASN N N 15 129.729 . . 1 . . . . 64 N N . 16671 1 293 . 1 1 30 30 ASN ND2 N 15 115.200 . . 1 . . . . 64 N ND2 . 16671 1 294 . 1 1 31 31 GLY H H 1 8.867 . . 1 . . . . 65 G HN . 16671 1 295 . 1 1 31 31 GLY HA2 H 1 3.760 . . 2 . . . . 65 G HA1 . 16671 1 296 . 1 1 31 31 GLY HA3 H 1 4.260 . . 2 . . . . 65 G HA2 . 16671 1 297 . 1 1 31 31 GLY CA C 13 44.260 . . 1 . . . . 65 G CA . 16671 1 298 . 1 1 31 31 GLY N N 15 103.800 . . 1 . . . . 65 G N . 16671 1 299 . 1 1 32 32 LYS H H 1 7.450 . . 1 . . . . 66 K HN . 16671 1 300 . 1 1 32 32 LYS HA H 1 5.410 . . 1 . . . . 66 K HA . 16671 1 301 . 1 1 32 32 LYS HB2 H 1 1.680 . . 2 . . . . 66 K HB1 . 16671 1 302 . 1 1 32 32 LYS HB3 H 1 1.728 . . 2 . . . . 66 K HB2 . 16671 1 303 . 1 1 32 32 LYS HD2 H 1 1.600 . . 2 . . . . 66 K HD1 . 16671 1 304 . 1 1 32 32 LYS HD3 H 1 1.770 . . 2 . . . . 66 K HD2 . 16671 1 305 . 1 1 32 32 LYS HE2 H 1 2.940 . . 2 . . . . 66 K HE1 . 16671 1 306 . 1 1 32 32 LYS HE3 H 1 3.098 . . 2 . . . . 66 K HE2 . 16671 1 307 . 1 1 32 32 LYS HG2 H 1 1.320 . . 2 . . . . 66 K HG1 . 16671 1 308 . 1 1 32 32 LYS HG3 H 1 1.460 . . 2 . . . . 66 K HG2 . 16671 1 309 . 1 1 32 32 LYS CA C 13 53.780 . . 1 . . . . 66 K CA . 16671 1 310 . 1 1 32 32 LYS CB C 13 36.540 . . 1 . . . . 66 K CB . 16671 1 311 . 1 1 32 32 LYS CD C 13 28.760 . . 1 . . . . 66 K CD . 16671 1 312 . 1 1 32 32 LYS CE C 13 41.050 . . 1 . . . . 66 K CE . 16671 1 313 . 1 1 32 32 LYS CG C 13 24.100 . . 1 . . . . 66 K CG . 16671 1 314 . 1 1 32 32 LYS N N 15 118.738 . . 1 . . . . 66 K N . 16671 1 315 . 1 1 33 33 ILE H H 1 9.236 . . 1 . . . . 67 I HN . 16671 1 316 . 1 1 33 33 ILE HA H 1 5.008 . . 1 . . . . 67 I HA . 16671 1 317 . 1 1 33 33 ILE HB H 1 1.800 . . 1 . . . . 67 I HB . 16671 1 318 . 1 1 33 33 ILE HD11 H 1 0.480 . . 1 . . . . 67 I HD11 . 16671 1 319 . 1 1 33 33 ILE HD12 H 1 0.480 . . 1 . . . . 67 I HD11 . 16671 1 320 . 1 1 33 33 ILE HD13 H 1 0.480 . . 1 . . . . 67 I HD11 . 16671 1 321 . 1 1 33 33 ILE HG12 H 1 1.420 . . 1 . . . . 67 I HG11 . 16671 1 322 . 1 1 33 33 ILE HG13 H 1 1.450 . . 1 . . . . 67 I HG12 . 16671 1 323 . 1 1 33 33 ILE HG21 H 1 -0.041 . . 2 . . . . 67 I HG21 . 16671 1 324 . 1 1 33 33 ILE HG22 H 1 -0.041 . . 2 . . . . 67 I HG21 . 16671 1 325 . 1 1 33 33 ILE HG23 H 1 -0.041 . . 2 . . . . 67 I HG21 . 16671 1 326 . 1 1 33 33 ILE CA C 13 57.470 . . 1 . . . . 67 I CA . 16671 1 327 . 1 1 33 33 ILE CB C 13 39.700 . . 1 . . . . 67 I CB . 16671 1 328 . 1 1 33 33 ILE CD1 C 13 14.300 . . 1 . . . . 67 I CD1 . 16671 1 329 . 1 1 33 33 ILE CG1 C 13 23.400 . . 2 . . . . 67 I CG1 . 16671 1 330 . 1 1 33 33 ILE CG2 C 13 15.570 . . 1 . . . . 67 I CG2 . 16671 1 331 . 1 1 33 33 ILE N N 15 118.000 . . 1 . . . . 67 I N . 16671 1 332 . 1 1 34 34 THR H H 1 8.260 . . 1 . . . . 68 T HN . 16671 1 333 . 1 1 34 34 THR HA H 1 4.548 . . 1 . . . . 68 T HA . 16671 1 334 . 1 1 34 34 THR HB H 1 4.712 . . 1 . . . . 68 T HB . 16671 1 335 . 1 1 34 34 THR HG1 H 1 5.400 . . 1 . . . . 68 T HG1 . 16671 1 336 . 1 1 34 34 THR HG21 H 1 1.340 . . 1 . . . . 68 T HG21 . 16671 1 337 . 1 1 34 34 THR HG22 H 1 1.340 . . 1 . . . . 68 T HG21 . 16671 1 338 . 1 1 34 34 THR HG23 H 1 1.340 . . 1 . . . . 68 T HG21 . 16671 1 339 . 1 1 34 34 THR CA C 13 58.970 . . 1 . . . . 68 T CA . 16671 1 340 . 1 1 34 34 THR CB C 13 69.762 . . 1 . . . . 68 T CB . 16671 1 341 . 1 1 34 34 THR CG2 C 13 21.000 . . 1 . . . . 68 T CG2 . 16671 1 342 . 1 1 34 34 THR N N 15 111.700 . . 1 . . . . 68 T N . 16671 1 343 . 1 1 35 35 GLY H H 1 9.310 . . 1 . . . . 69 G HN . 16671 1 344 . 1 1 35 35 GLY HA2 H 1 3.620 . . 2 . . . . 69 G HA1 . 16671 1 345 . 1 1 35 35 GLY HA3 H 1 3.960 . . 2 . . . . 69 G HA2 . 16671 1 346 . 1 1 35 35 GLY CA C 13 46.900 . . 1 . . . . 69 G CA . 16671 1 347 . 1 1 35 35 GLY N N 15 110.161 . . 1 . . . . 69 G N . 16671 1 348 . 1 1 36 36 ALA H H 1 8.357 . . 1 . . . . 70 A HN . 16671 1 349 . 1 1 36 36 ALA HA H 1 3.870 . . 1 . . . . 70 A HA . 16671 1 350 . 1 1 36 36 ALA HB1 H 1 1.303 . . 1 . . . . 70 A HB1 . 16671 1 351 . 1 1 36 36 ALA HB2 H 1 1.303 . . 1 . . . . 70 A HB1 . 16671 1 352 . 1 1 36 36 ALA HB3 H 1 1.303 . . 1 . . . . 70 A HB1 . 16671 1 353 . 1 1 36 36 ALA CA C 13 53.700 . . 1 . . . . 70 A CA . 16671 1 354 . 1 1 36 36 ALA CB C 13 17.080 . . 1 . . . . 70 A CB . 16671 1 355 . 1 1 36 36 ALA N N 15 123.400 . . 1 . . . . 70 A N . 16671 1 356 . 1 1 37 37 ASN H H 1 7.550 . . 1 . . . . 71 N HN . 16671 1 357 . 1 1 37 37 ASN HA H 1 4.690 . . 1 . . . . 71 N HA . 16671 1 358 . 1 1 37 37 ASN HB2 H 1 2.560 . . 2 . . . . 71 N HB1 . 16671 1 359 . 1 1 37 37 ASN HB3 H 1 2.850 . . 2 . . . . 71 N HB2 . 16671 1 360 . 1 1 37 37 ASN HD21 H 1 8.140 . . 2 . . . . 71 N HD21 . 16671 1 361 . 1 1 37 37 ASN HD22 H 1 7.140 . . 2 . . . . 71 N HD22 . 16671 1 362 . 1 1 37 37 ASN CA C 13 54.000 . . 1 . . . . 71 N CA . 16671 1 363 . 1 1 37 37 ASN CB C 13 36.300 . . 1 . . . . 71 N CB . 16671 1 364 . 1 1 37 37 ASN N N 15 118.852 . . 1 . . . . 71 N N . 16671 1 365 . 1 1 37 37 ASN ND2 N 15 117.200 . . 1 . . . . 71 N ND2 . 16671 1 366 . 1 1 38 38 ALA H H 1 8.853 . . 1 . . . . 72 A HN . 16671 1 367 . 1 1 38 38 ALA HA H 1 4.080 . . 1 . . . . 72 A HA . 16671 1 368 . 1 1 38 38 ALA HB1 H 1 1.860 . . 1 . . . . 72 A HB1 . 16671 1 369 . 1 1 38 38 ALA HB2 H 1 1.860 . . 1 . . . . 72 A HB1 . 16671 1 370 . 1 1 38 38 ALA HB3 H 1 1.860 . . 1 . . . . 72 A HB1 . 16671 1 371 . 1 1 38 38 ALA CA C 13 54.450 . . 1 . . . . 72 A CA . 16671 1 372 . 1 1 38 38 ALA CB C 13 17.970 . . 1 . . . . 72 A CB . 16671 1 373 . 1 1 38 38 ALA N N 15 123.700 . . 1 . . . . 72 A N . 16671 1 374 . 1 1 39 39 LYS H H 1 8.807 . . 1 . . . . 73 K HN . 16671 1 375 . 1 1 39 39 LYS HA H 1 3.950 . . 1 . . . . 73 K HA . 16671 1 376 . 1 1 39 39 LYS HB2 H 1 1.180 . . 2 . . . . 73 K HB1 . 16671 1 377 . 1 1 39 39 LYS HB3 H 1 1.790 . . 2 . . . . 73 K HB2 . 16671 1 378 . 1 1 39 39 LYS HD2 H 1 0.743 . . 2 . . . . 73 K HD1 . 16671 1 379 . 1 1 39 39 LYS HD3 H 1 1.170 . . 2 . . . . 73 K HD2 . 16671 1 380 . 1 1 39 39 LYS HE2 H 1 2.520 . . 2 . . . . 73 K HE1 . 16671 1 381 . 1 1 39 39 LYS HE3 H 1 2.650 . . 2 . . . . 73 K HE2 . 16671 1 382 . 1 1 39 39 LYS HG2 H 1 1.050 . . 2 . . . . 73 K HG1 . 16671 1 383 . 1 1 39 39 LYS HG3 H 1 1.210 . . 2 . . . . 73 K HG2 . 16671 1 384 . 1 1 39 39 LYS CA C 13 59.130 . . 1 . . . . 73 K CA . 16671 1 385 . 1 1 39 39 LYS CB C 13 30.880 . . 1 . . . . 73 K CB . 16671 1 386 . 1 1 39 39 LYS CD C 13 28.500 . . 1 . . . . 73 K CD . 16671 1 387 . 1 1 39 39 LYS CE C 13 40.600 . . 1 . . . . 73 K CE . 16671 1 388 . 1 1 39 39 LYS CG C 13 23.500 . . 1 . . . . 73 K CG . 16671 1 389 . 1 1 39 39 LYS N N 15 120.578 . . 1 . . . . 73 K N . 16671 1 390 . 1 1 40 40 LYS H H 1 7.169 . . 1 . . . . 74 K HN . 16671 1 391 . 1 1 40 40 LYS HA H 1 3.988 . . 1 . . . . 74 K HA . 16671 1 392 . 1 1 40 40 LYS HB2 H 1 1.970 . . 2 . . . . 74 K HB1 . 16671 1 393 . 1 1 40 40 LYS HB3 H 1 2.030 . . 2 . . . . 74 K HB2 . 16671 1 394 . 1 1 40 40 LYS HD2 H 1 1.735 . . 2 . . . . 74 K HD1 . 16671 1 395 . 1 1 40 40 LYS HD3 H 1 1.735 . . 2 . . . . 74 K HD2 . 16671 1 396 . 1 1 40 40 LYS HE2 H 1 3.050 . . 2 . . . . 74 K HE1 . 16671 1 397 . 1 1 40 40 LYS HE3 H 1 3.000 . . 2 . . . . 74 K HE2 . 16671 1 398 . 1 1 40 40 LYS HG2 H 1 1.530 . . 2 . . . . 74 K HG1 . 16671 1 399 . 1 1 40 40 LYS HG3 H 1 1.650 . . 2 . . . . 74 K HG2 . 16671 1 400 . 1 1 40 40 LYS CA C 13 58.130 . . 1 . . . . 74 K CA . 16671 1 401 . 1 1 40 40 LYS CB C 13 30.900 . . 1 . . . . 74 K CB . 16671 1 402 . 1 1 40 40 LYS CD C 13 28.300 . . 1 . . . . 74 K CD . 16671 1 403 . 1 1 40 40 LYS CE C 13 40.800 . . 1 . . . . 74 K CE . 16671 1 404 . 1 1 40 40 LYS CG C 13 23.500 . . 1 . . . . 74 K CG . 16671 1 405 . 1 1 40 40 LYS N N 15 117.423 . . 1 . . . . 74 K N . 16671 1 406 . 1 1 41 41 GLU H H 1 7.069 . . 1 . . . . 75 E HN . 16671 1 407 . 1 1 41 41 GLU HA H 1 4.450 . . 1 . . . . 75 E HA . 16671 1 408 . 1 1 41 41 GLU HB2 H 1 2.200 . . 2 . . . . 75 E HB1 . 16671 1 409 . 1 1 41 41 GLU HB3 H 1 2.200 . . 2 . . . . 75 E HB2 . 16671 1 410 . 1 1 41 41 GLU HG2 H 1 2.370 . . 2 . . . . 75 E HG1 . 16671 1 411 . 1 1 41 41 GLU HG3 H 1 2.450 . . 2 . . . . 75 E HG2 . 16671 1 412 . 1 1 41 41 GLU CA C 13 56.160 . . 1 . . . . 75 E CA . 16671 1 413 . 1 1 41 41 GLU CB C 13 28.900 . . 1 . . . . 75 E CB . 16671 1 414 . 1 1 41 41 GLU CG C 13 34.360 . . 1 . . . . 75 E CG . 16671 1 415 . 1 1 41 41 GLU N N 15 117.000 . . 1 . . . . 75 E N . 16671 1 416 . 1 1 42 42 MET H H 1 8.890 . . 1 . . . . 76 M HN . 16671 1 417 . 1 1 42 42 MET HA H 1 4.010 . . 1 . . . . 76 M HA . 16671 1 418 . 1 1 42 42 MET HB2 H 1 2.250 . . 2 . . . . 76 M HB1 . 16671 1 419 . 1 1 42 42 MET HB3 H 1 2.330 . . 2 . . . . 76 M HB2 . 16671 1 420 . 1 1 42 42 MET HE1 H 1 2.050 . . 1 . . . . 76 M HE1 . 16671 1 421 . 1 1 42 42 MET HE2 H 1 2.050 . . 1 . . . . 76 M HE1 . 16671 1 422 . 1 1 42 42 MET HE3 H 1 2.050 . . 1 . . . . 76 M HE1 . 16671 1 423 . 1 1 42 42 MET HG2 H 1 2.425 . . 2 . . . . 76 M HG1 . 16671 1 424 . 1 1 42 42 MET HG3 H 1 3.070 . . 2 . . . . 76 M HG2 . 16671 1 425 . 1 1 42 42 MET CA C 13 58.600 . . 1 . . . . 76 M CA . 16671 1 426 . 1 1 42 42 MET CB C 13 33.770 . . 1 . . . . 76 M CB . 16671 1 427 . 1 1 42 42 MET CE C 13 16.100 . . 1 . . . . 76 M CE . 16671 1 428 . 1 1 42 42 MET CG C 13 31.120 . . 1 . . . . 76 M CG . 16671 1 429 . 1 1 42 42 MET N N 15 121.769 . . 1 . . . . 76 M N . 16671 1 430 . 1 1 43 43 VAL H H 1 8.820 . . 1 . . . . 77 V HN . 16671 1 431 . 1 1 43 43 VAL HA H 1 4.110 . . 1 . . . . 77 V HA . 16671 1 432 . 1 1 43 43 VAL HB H 1 2.450 . . 1 . . . . 77 V HB . 16671 1 433 . 1 1 43 43 VAL HG11 H 1 1.100 . . 2 . . . . 77 V HG11 . 16671 1 434 . 1 1 43 43 VAL HG12 H 1 1.100 . . 2 . . . . 77 V HG11 . 16671 1 435 . 1 1 43 43 VAL HG13 H 1 1.100 . . 2 . . . . 77 V HG11 . 16671 1 436 . 1 1 43 43 VAL HG21 H 1 1.230 . . 2 . . . . 77 V HG21 . 16671 1 437 . 1 1 43 43 VAL HG22 H 1 1.230 . . 2 . . . . 77 V HG21 . 16671 1 438 . 1 1 43 43 VAL HG23 H 1 1.230 . . 2 . . . . 77 V HG21 . 16671 1 439 . 1 1 43 43 VAL CA C 13 63.490 . . 1 . . . . 77 V CA . 16671 1 440 . 1 1 43 43 VAL CB C 13 30.470 . . 1 . . . . 77 V CB . 16671 1 441 . 1 1 43 43 VAL CG1 C 13 17.950 . . 1 . . . . 77 V CG1 . 16671 1 442 . 1 1 43 43 VAL CG2 C 13 20.110 . . 1 . . . . 77 V CG2 . 16671 1 443 . 1 1 43 43 VAL N N 15 115.900 . . 1 . . . . 77 V N . 16671 1 444 . 1 1 44 44 LYS H H 1 7.498 . . 1 . . . . 78 K HN . 16671 1 445 . 1 1 44 44 LYS HA H 1 4.130 . . 1 . . . . 78 K HA . 16671 1 446 . 1 1 44 44 LYS HB2 H 1 2.000 . . 2 . . . . 78 K HB1 . 16671 1 447 . 1 1 44 44 LYS HB3 H 1 2.000 . . 2 . . . . 78 K HB2 . 16671 1 448 . 1 1 44 44 LYS HD2 H 1 1.790 . . 2 . . . . 78 K HD1 . 16671 1 449 . 1 1 44 44 LYS HD3 H 1 1.830 . . 2 . . . . 78 K HD2 . 16671 1 450 . 1 1 44 44 LYS HE2 H 1 2.960 . . 2 . . . . 78 K HE1 . 16671 1 451 . 1 1 44 44 LYS HE3 H 1 3.000 . . 2 . . . . 78 K HE2 . 16671 1 452 . 1 1 44 44 LYS HG2 H 1 1.450 . . 2 . . . . 78 K HG1 . 16671 1 453 . 1 1 44 44 LYS HG3 H 1 1.790 . . 2 . . . . 78 K HG2 . 16671 1 454 . 1 1 44 44 LYS CA C 13 57.670 . . 1 . . . . 78 K CA . 16671 1 455 . 1 1 44 44 LYS CB C 13 30.990 . . 1 . . . . 78 K CB . 16671 1 456 . 1 1 44 44 LYS CD C 13 28.700 . . 1 . . . . 78 K CD . 16671 1 457 . 1 1 44 44 LYS CE C 13 40.700 . . 1 . . . . 78 K CE . 16671 1 458 . 1 1 44 44 LYS CG C 13 24.700 . . 1 . . . . 78 K CG . 16671 1 459 . 1 1 44 44 LYS N N 15 124.400 . . 1 . . . . 78 K N . 16671 1 460 . 1 1 45 45 SER H H 1 7.508 . . 1 . . . . 79 S HN . 16671 1 461 . 1 1 45 45 SER HA H 1 4.050 . . 1 . . . . 79 S HA . 16671 1 462 . 1 1 45 45 SER HB2 H 1 3.811 . . 2 . . . . 79 S HB1 . 16671 1 463 . 1 1 45 45 SER HB3 H 1 4.200 . . 2 . . . . 79 S HB2 . 16671 1 464 . 1 1 45 45 SER CA C 13 59.440 . . 1 . . . . 79 S CA . 16671 1 465 . 1 1 45 45 SER CB C 13 64.580 . . 1 . . . . 79 S CB . 16671 1 466 . 1 1 45 45 SER N N 15 114.450 . . 1 . . . . 79 S N . 16671 1 467 . 1 1 46 46 LYS H H 1 7.802 . . 1 . . . . 80 K HN . 16671 1 468 . 1 1 46 46 LYS HA H 1 3.920 . . 1 . . . . 80 K HA . 16671 1 469 . 1 1 46 46 LYS HB2 H 1 2.050 . . 2 . . . . 80 K HB1 . 16671 1 470 . 1 1 46 46 LYS HB3 H 1 2.240 . . 2 . . . . 80 K HB2 . 16671 1 471 . 1 1 46 46 LYS HD2 H 1 1.660 . . 2 . . . . 80 K HD1 . 16671 1 472 . 1 1 46 46 LYS HD3 H 1 1.730 . . 2 . . . . 80 K HD2 . 16671 1 473 . 1 1 46 46 LYS HE2 H 1 3.020 . . 2 . . . . 80 K HE1 . 16671 1 474 . 1 1 46 46 LYS HE3 H 1 3.030 . . 2 . . . . 80 K HE2 . 16671 1 475 . 1 1 46 46 LYS HG2 H 1 1.380 . . 2 . . . . 80 K HG1 . 16671 1 476 . 1 1 46 46 LYS HG3 H 1 1.460 . . 2 . . . . 80 K HG2 . 16671 1 477 . 1 1 46 46 LYS CA C 13 56.810 . . 1 . . . . 80 K CA . 16671 1 478 . 1 1 46 46 LYS CB C 13 27.840 . . 1 . . . . 80 K CB . 16671 1 479 . 1 1 46 46 LYS CD C 13 27.500 . . 1 . . . . 80 K CD . 16671 1 480 . 1 1 46 46 LYS CE C 13 40.700 . . 1 . . . . 80 K CE . 16671 1 481 . 1 1 46 46 LYS CG C 13 23.500 . . 1 . . . . 80 K CG . 16671 1 482 . 1 1 46 46 LYS N N 15 114.600 . . 1 . . . . 80 K N . 16671 1 483 . 1 1 47 47 LEU H H 1 7.440 . . 1 . . . . 81 L HN . 16671 1 484 . 1 1 47 47 LEU HA H 1 4.480 . . 1 . . . . 81 L HA . 16671 1 485 . 1 1 47 47 LEU HB2 H 1 1.015 . . 2 . . . . 81 L HB1 . 16671 1 486 . 1 1 47 47 LEU HB3 H 1 1.499 . . 2 . . . . 81 L HB2 . 16671 1 487 . 1 1 47 47 LEU HD11 H 1 0.888 . . 2 . . . . 81 L HD11 . 16671 1 488 . 1 1 47 47 LEU HD12 H 1 0.888 . . 2 . . . . 81 L HD11 . 16671 1 489 . 1 1 47 47 LEU HD13 H 1 0.888 . . 2 . . . . 81 L HD11 . 16671 1 490 . 1 1 47 47 LEU HD21 H 1 0.910 . . 2 . . . . 81 L HD21 . 16671 1 491 . 1 1 47 47 LEU HD22 H 1 0.910 . . 2 . . . . 81 L HD21 . 16671 1 492 . 1 1 47 47 LEU HD23 H 1 0.910 . . 2 . . . . 81 L HD21 . 16671 1 493 . 1 1 47 47 LEU HG H 1 1.560 . . 1 . . . . 81 L HG . 16671 1 494 . 1 1 47 47 LEU CA C 13 52.000 . . 1 . . . . 81 L CA . 16671 1 495 . 1 1 47 47 LEU CB C 13 40.400 . . 1 . . . . 81 L CB . 16671 1 496 . 1 1 47 47 LEU CD1 C 13 25.000 . . 1 . . . . 81 L CD1 . 16671 1 497 . 1 1 47 47 LEU CD2 C 13 22.300 . . 1 . . . . 81 L CD2 . 16671 1 498 . 1 1 47 47 LEU CG C 13 25.900 . . 1 . . . . 81 L CG . 16671 1 499 . 1 1 47 47 LEU N N 15 122.600 . . 1 . . . . 81 L N . 16671 1 500 . 1 1 48 48 PRO HA H 1 4.480 . . 1 . . . . 82 P HA . 16671 1 501 . 1 1 48 48 PRO HB2 H 1 1.840 . . 2 . . . . 82 P HB1 . 16671 1 502 . 1 1 48 48 PRO HB3 H 1 2.545 . . 2 . . . . 82 P HB2 . 16671 1 503 . 1 1 48 48 PRO HD2 H 1 3.305 . . 2 . . . . 82 P HD1 . 16671 1 504 . 1 1 48 48 PRO HD3 H 1 3.920 . . 2 . . . . 82 P HD2 . 16671 1 505 . 1 1 48 48 PRO HG2 H 1 2.010 . . 2 . . . . 82 P HG1 . 16671 1 506 . 1 1 48 48 PRO HG3 H 1 2.127 . . 2 . . . . 82 P HG2 . 16671 1 507 . 1 1 48 48 PRO CA C 13 60.910 . . 1 . . . . 82 P CA . 16671 1 508 . 1 1 48 48 PRO CB C 13 31.550 . . 1 . . . . 82 P CB . 16671 1 509 . 1 1 48 48 PRO CD C 13 48.820 . . 1 . . . . 82 P CD . 16671 1 510 . 1 1 48 48 PRO CG C 13 26.400 . . 1 . . . . 82 P CG . 16671 1 511 . 1 1 49 49 ASN H H 1 7.580 . . 1 . . . . 83 N HN . 16671 1 512 . 1 1 49 49 ASN HA H 1 4.220 . . 1 . . . . 83 N HA . 16671 1 513 . 1 1 49 49 ASN HB2 H 1 2.900 . . 2 . . . . 83 N HB1 . 16671 1 514 . 1 1 49 49 ASN HB3 H 1 2.950 . . 2 . . . . 83 N HB2 . 16671 1 515 . 1 1 49 49 ASN HD21 H 1 7.760 . . 2 . . . . 83 N HD21 . 16671 1 516 . 1 1 49 49 ASN HD22 H 1 7.140 . . 2 . . . . 83 N HD22 . 16671 1 517 . 1 1 49 49 ASN CA C 13 56.000 . . 1 . . . . 83 N CA . 16671 1 518 . 1 1 49 49 ASN CB C 13 36.900 . . 1 . . . . 83 N CB . 16671 1 519 . 1 1 49 49 ASN ND2 N 15 114.900 . . 1 . . . . 83 N ND2 . 16671 1 520 . 1 1 50 50 THR H H 1 7.270 . . 1 . . . . 84 T HN . 16671 1 521 . 1 1 50 50 THR HA H 1 4.000 . . 1 . . . . 84 T HA . 16671 1 522 . 1 1 50 50 THR HB H 1 4.137 . . 1 . . . . 84 T HB . 16671 1 523 . 1 1 50 50 THR HG21 H 1 1.310 . . 1 . . . . 84 T HG21 . 16671 1 524 . 1 1 50 50 THR HG22 H 1 1.310 . . 1 . . . . 84 T HG21 . 16671 1 525 . 1 1 50 50 THR HG23 H 1 1.310 . . 1 . . . . 84 T HG21 . 16671 1 526 . 1 1 50 50 THR CA C 13 63.474 . . 1 . . . . 84 T CA . 16671 1 527 . 1 1 50 50 THR CB C 13 66.950 . . 1 . . . . 84 T CB . 16671 1 528 . 1 1 50 50 THR CG2 C 13 21.190 . . 1 . . . . 84 T CG2 . 16671 1 529 . 1 1 51 51 VAL H H 1 6.827 . . 1 . . . . 85 V HN . 16671 1 530 . 1 1 51 51 VAL HA H 1 3.620 . . 1 . . . . 85 V HA . 16671 1 531 . 1 1 51 51 VAL HB H 1 2.057 . . 1 . . . . 85 V HB . 16671 1 532 . 1 1 51 51 VAL HG11 H 1 0.942 . . 2 . . . . 85 V HG11 . 16671 1 533 . 1 1 51 51 VAL HG12 H 1 0.942 . . 2 . . . . 85 V HG11 . 16671 1 534 . 1 1 51 51 VAL HG13 H 1 0.942 . . 2 . . . . 85 V HG11 . 16671 1 535 . 1 1 51 51 VAL HG21 H 1 1.074 . . 2 . . . . 85 V HG21 . 16671 1 536 . 1 1 51 51 VAL HG22 H 1 1.074 . . 2 . . . . 85 V HG21 . 16671 1 537 . 1 1 51 51 VAL HG23 H 1 1.074 . . 2 . . . . 85 V HG21 . 16671 1 538 . 1 1 51 51 VAL CA C 13 64.100 . . 1 . . . . 85 V CA . 16671 1 539 . 1 1 51 51 VAL CB C 13 30.500 . . 1 . . . . 85 V CB . 16671 1 540 . 1 1 51 51 VAL CG1 C 13 21.200 . . 1 . . . . 85 V CG1 . 16671 1 541 . 1 1 51 51 VAL CG2 C 13 21.280 . . 1 . . . . 85 V CG2 . 16671 1 542 . 1 1 51 51 VAL N N 15 124.400 . . 1 . . . . 85 V N . 16671 1 543 . 1 1 52 52 LEU H H 1 7.850 . . 1 . . . . 86 L HN . 16671 1 544 . 1 1 52 52 LEU HA H 1 3.520 . . 1 . . . . 86 L HA . 16671 1 545 . 1 1 52 52 LEU HB2 H 1 -0.210 . . 2 . . . . 86 L HB1 . 16671 1 546 . 1 1 52 52 LEU HB3 H 1 0.870 . . 2 . . . . 86 L HB2 . 16671 1 547 . 1 1 52 52 LEU HD11 H 1 0.683 . . 2 . . . . 86 L HD11 . 16671 1 548 . 1 1 52 52 LEU HD12 H 1 0.683 . . 2 . . . . 86 L HD11 . 16671 1 549 . 1 1 52 52 LEU HD13 H 1 0.683 . . 2 . . . . 86 L HD11 . 16671 1 550 . 1 1 52 52 LEU HD21 H 1 0.587 . . 2 . . . . 86 L HD21 . 16671 1 551 . 1 1 52 52 LEU HD22 H 1 0.587 . . 2 . . . . 86 L HD21 . 16671 1 552 . 1 1 52 52 LEU HD23 H 1 0.587 . . 2 . . . . 86 L HD21 . 16671 1 553 . 1 1 52 52 LEU HG H 1 1.260 . . 1 . . . . 86 L HG . 16671 1 554 . 1 1 52 52 LEU CA C 13 56.600 . . 1 . . . . 86 L CA . 16671 1 555 . 1 1 52 52 LEU CB C 13 38.090 . . 1 . . . . 86 L CB . 16671 1 556 . 1 1 52 52 LEU CD1 C 13 25.750 . . 1 . . . . 86 L CD1 . 16671 1 557 . 1 1 52 52 LEU CD2 C 13 21.620 . . 1 . . . . 86 L CD2 . 16671 1 558 . 1 1 52 52 LEU CG C 13 24.700 . . 1 . . . . 86 L CG . 16671 1 559 . 1 1 52 52 LEU N N 15 121.600 . . 1 . . . . 86 L N . 16671 1 560 . 1 1 53 53 GLY H H 1 8.429 . . 1 . . . . 87 G HN . 16671 1 561 . 1 1 53 53 GLY HA2 H 1 4.020 . . 2 . . . . 87 G HA1 . 16671 1 562 . 1 1 53 53 GLY HA3 H 1 4.070 . . 2 . . . . 87 G HA2 . 16671 1 563 . 1 1 53 53 GLY CA C 13 46.200 . . 1 . . . . 87 G CA . 16671 1 564 . 1 1 53 53 GLY N N 15 107.113 . . 1 . . . . 87 G N . 16671 1 565 . 1 1 54 54 LYS H H 1 7.220 . . 1 . . . . 88 K HN . 16671 1 566 . 1 1 54 54 LYS HA H 1 4.110 . . 1 . . . . 88 K HA . 16671 1 567 . 1 1 54 54 LYS HB2 H 1 1.920 . . 2 . . . . 88 K HB1 . 16671 1 568 . 1 1 54 54 LYS HB3 H 1 2.020 . . 2 . . . . 88 K HB2 . 16671 1 569 . 1 1 54 54 LYS HD2 H 1 1.677 . . 2 . . . . 88 K HD1 . 16671 1 570 . 1 1 54 54 LYS HD3 H 1 1.720 . . 2 . . . . 88 K HD2 . 16671 1 571 . 1 1 54 54 LYS HE2 H 1 2.960 . . 2 . . . . 88 K HE1 . 16671 1 572 . 1 1 54 54 LYS HE3 H 1 2.910 . . 2 . . . . 88 K HE2 . 16671 1 573 . 1 1 54 54 LYS HG2 H 1 1.428 . . 2 . . . . 88 K HG1 . 16671 1 574 . 1 1 54 54 LYS HG3 H 1 1.629 . . 2 . . . . 88 K HG2 . 16671 1 575 . 1 1 54 54 LYS CA C 13 57.890 . . 1 . . . . 88 K CA . 16671 1 576 . 1 1 54 54 LYS CB C 13 31.000 . . 1 . . . . 88 K CB . 16671 1 577 . 1 1 54 54 LYS CD C 13 28.100 . . 1 . . . . 88 K CD . 16671 1 578 . 1 1 54 54 LYS CE C 13 40.700 . . 1 . . . . 88 K CE . 16671 1 579 . 1 1 54 54 LYS CG C 13 24.100 . . 1 . . . . 88 K CG . 16671 1 580 . 1 1 54 54 LYS N N 15 124.400 . . 1 . . . . 88 K N . 16671 1 581 . 1 1 55 55 ILE H H 1 7.980 . . 1 . . . . 89 I HN . 16671 1 582 . 1 1 55 55 ILE HA H 1 3.476 . . 1 . . . . 89 I HA . 16671 1 583 . 1 1 55 55 ILE HB H 1 1.832 . . 1 . . . . 89 I HB . 16671 1 584 . 1 1 55 55 ILE HD11 H 1 0.555 . . 1 . . . . 89 I HD11 . 16671 1 585 . 1 1 55 55 ILE HD12 H 1 0.555 . . 1 . . . . 89 I HD11 . 16671 1 586 . 1 1 55 55 ILE HD13 H 1 0.555 . . 1 . . . . 89 I HD11 . 16671 1 587 . 1 1 55 55 ILE HG12 H 1 0.706 . . 1 . . . . 89 I HG11 . 16671 1 588 . 1 1 55 55 ILE HG13 H 1 1.871 . . 1 . . . . 89 I HG12 . 16671 1 589 . 1 1 55 55 ILE HG21 H 1 0.880 . . 2 . . . . 89 I HG21 . 16671 1 590 . 1 1 55 55 ILE HG22 H 1 0.880 . . 2 . . . . 89 I HG21 . 16671 1 591 . 1 1 55 55 ILE HG23 H 1 0.880 . . 2 . . . . 89 I HG21 . 16671 1 592 . 1 1 55 55 ILE CA C 13 65.360 . . 1 . . . . 89 I CA . 16671 1 593 . 1 1 55 55 ILE CB C 13 36.300 . . 1 . . . . 89 I CB . 16671 1 594 . 1 1 55 55 ILE CD1 C 13 12.780 . . 1 . . . . 89 I CD1 . 16671 1 595 . 1 1 55 55 ILE CG1 C 13 30.300 . . 2 . . . . 89 I CG1 . 16671 1 596 . 1 1 55 55 ILE CG2 C 13 16.220 . . 1 . . . . 89 I CG2 . 16671 1 597 . 1 1 55 55 ILE N N 15 122.600 . . 1 . . . . 89 I N . 16671 1 598 . 1 1 56 56 TRP H H 1 8.911 . . 1 . . . . 90 W HN . 16671 1 599 . 1 1 56 56 TRP HA H 1 3.810 . . 1 . . . . 90 W HA . 16671 1 600 . 1 1 56 56 TRP HB2 H 1 3.450 . . 2 . . . . 90 W HB1 . 16671 1 601 . 1 1 56 56 TRP HB3 H 1 3.580 . . 2 . . . . 90 W HB2 . 16671 1 602 . 1 1 56 56 TRP HD1 H 1 7.160 . . 1 . . . . 90 W HD1 . 16671 1 603 . 1 1 56 56 TRP HE1 H 1 10.380 . . 3 . . . . 90 W HE1 . 16671 1 604 . 1 1 56 56 TRP HE3 H 1 7.350 . . 3 . . . . 90 W HE3 . 16671 1 605 . 1 1 56 56 TRP HH2 H 1 6.800 . . 1 . . . . 90 W HH2 . 16671 1 606 . 1 1 56 56 TRP HZ2 H 1 7.230 . . 3 . . . . 90 W HZ2 . 16671 1 607 . 1 1 56 56 TRP HZ3 H 1 6.920 . . 3 . . . . 90 W HZ3 . 16671 1 608 . 1 1 56 56 TRP CA C 13 60.260 . . 1 . . . . 90 W CA . 16671 1 609 . 1 1 56 56 TRP CB C 13 27.000 . . 1 . . . . 90 W CB . 16671 1 610 . 1 1 56 56 TRP CD1 C 13 123.000 . . 3 . . . . 90 W CD1 . 16671 1 611 . 1 1 56 56 TRP CE3 C 13 114.630 . . 3 . . . . 90 W CE3 . 16671 1 612 . 1 1 56 56 TRP CH2 C 13 120.300 . . 1 . . . . 90 W CH2 . 16671 1 613 . 1 1 56 56 TRP CZ2 C 13 111.100 . . 3 . . . . 90 W CZ2 . 16671 1 614 . 1 1 56 56 TRP CZ3 C 13 118.150 . . 3 . . . . 90 W CZ3 . 16671 1 615 . 1 1 56 56 TRP N N 15 122.100 . . 1 . . . . 90 W N . 16671 1 616 . 1 1 56 56 TRP NE1 N 15 133.400 . . 1 . . . . 90 W NE1 . 16671 1 617 . 1 1 57 57 LYS H H 1 7.620 . . 1 . . . . 91 K HN . 16671 1 618 . 1 1 57 57 LYS HA H 1 4.010 . . 1 . . . . 91 K HA . 16671 1 619 . 1 1 57 57 LYS HB2 H 1 1.970 . . 2 . . . . 91 K HB1 . 16671 1 620 . 1 1 57 57 LYS HB3 H 1 2.014 . . 2 . . . . 91 K HB2 . 16671 1 621 . 1 1 57 57 LYS HD2 H 1 1.721 . . 2 . . . . 91 K HD1 . 16671 1 622 . 1 1 57 57 LYS HD3 H 1 1.721 . . 2 . . . . 91 K HD2 . 16671 1 623 . 1 1 57 57 LYS HE2 H 1 2.900 . . 2 . . . . 91 K HE1 . 16671 1 624 . 1 1 57 57 LYS HE3 H 1 3.057 . . 2 . . . . 91 K HE2 . 16671 1 625 . 1 1 57 57 LYS HG2 H 1 1.520 . . 2 . . . . 91 K HG1 . 16671 1 626 . 1 1 57 57 LYS HG3 H 1 1.650 . . 2 . . . . 91 K HG2 . 16671 1 627 . 1 1 57 57 LYS CA C 13 57.890 . . 1 . . . . 91 K CA . 16671 1 628 . 1 1 57 57 LYS CB C 13 31.300 . . 1 . . . . 91 K CB . 16671 1 629 . 1 1 57 57 LYS CD C 13 28.100 . . 1 . . . . 91 K CD . 16671 1 630 . 1 1 57 57 LYS CE C 13 40.700 . . 1 . . . . 91 K CE . 16671 1 631 . 1 1 57 57 LYS CG C 13 24.200 . . 1 . . . . 91 K CG . 16671 1 632 . 1 1 57 57 LYS N N 15 117.000 . . 1 . . . . 91 K N . 16671 1 633 . 1 1 58 58 LEU H H 1 7.560 . . 1 . . . . 92 L HN . 16671 1 634 . 1 1 58 58 LEU HA H 1 3.995 . . 1 . . . . 92 L HA . 16671 1 635 . 1 1 58 58 LEU HB2 H 1 1.030 . . 2 . . . . 92 L HB1 . 16671 1 636 . 1 1 58 58 LEU HB3 H 1 1.960 . . 2 . . . . 92 L HB2 . 16671 1 637 . 1 1 58 58 LEU HD11 H 1 0.861 . . 2 . . . . 92 L HD11 . 16671 1 638 . 1 1 58 58 LEU HD12 H 1 0.861 . . 2 . . . . 92 L HD11 . 16671 1 639 . 1 1 58 58 LEU HD13 H 1 0.861 . . 2 . . . . 92 L HD11 . 16671 1 640 . 1 1 58 58 LEU HD21 H 1 0.650 . . 2 . . . . 92 L HD21 . 16671 1 641 . 1 1 58 58 LEU HD22 H 1 0.650 . . 2 . . . . 92 L HD21 . 16671 1 642 . 1 1 58 58 LEU HD23 H 1 0.650 . . 2 . . . . 92 L HD21 . 16671 1 643 . 1 1 58 58 LEU HG H 1 1.760 . . 1 . . . . 92 L HG . 16671 1 644 . 1 1 58 58 LEU CA C 13 55.780 . . 1 . . . . 92 L CA . 16671 1 645 . 1 1 58 58 LEU CB C 13 42.270 . . 1 . . . . 92 L CB . 16671 1 646 . 1 1 58 58 LEU CD1 C 13 25.280 . . 1 . . . . 92 L CD1 . 16671 1 647 . 1 1 58 58 LEU CD2 C 13 21.370 . . 1 . . . . 92 L CD2 . 16671 1 648 . 1 1 58 58 LEU CG C 13 25.890 . . 1 . . . . 92 L CG . 16671 1 649 . 1 1 58 58 LEU N N 15 119.520 . . 1 . . . . 92 L N . 16671 1 650 . 1 1 59 59 ALA H H 1 8.170 . . 1 . . . . 93 A HN . 16671 1 651 . 1 1 59 59 ALA HA H 1 4.130 . . 1 . . . . 93 A HA . 16671 1 652 . 1 1 59 59 ALA HB1 H 1 1.167 . . 1 . . . . 93 A HB1 . 16671 1 653 . 1 1 59 59 ALA HB2 H 1 1.167 . . 1 . . . . 93 A HB1 . 16671 1 654 . 1 1 59 59 ALA HB3 H 1 1.167 . . 1 . . . . 93 A HB1 . 16671 1 655 . 1 1 59 59 ALA CA C 13 52.400 . . 1 . . . . 93 A CA . 16671 1 656 . 1 1 59 59 ALA CB C 13 17.700 . . 1 . . . . 93 A CB . 16671 1 657 . 1 1 59 59 ALA N N 15 120.300 . . 1 . . . . 93 A N . 16671 1 658 . 1 1 60 60 ASP H H 1 7.733 . . 1 . . . . 94 D HN . 16671 1 659 . 1 1 60 60 ASP HA H 1 4.560 . . 1 . . . . 94 D HA . 16671 1 660 . 1 1 60 60 ASP HB2 H 1 1.200 . . 2 . . . . 94 D HB1 . 16671 1 661 . 1 1 60 60 ASP HB3 H 1 2.270 . . 2 . . . . 94 D HB2 . 16671 1 662 . 1 1 60 60 ASP CA C 13 50.550 . . 1 . . . . 94 D CA . 16671 1 663 . 1 1 60 60 ASP CB C 13 35.220 . . 1 . . . . 94 D CB . 16671 1 664 . 1 1 60 60 ASP N N 15 115.750 . . 1 . . . . 94 D N . 16671 1 665 . 1 1 61 61 VAL H H 1 8.344 . . 1 . . . . 95 V HN . 16671 1 666 . 1 1 61 61 VAL HA H 1 3.500 . . 1 . . . . 95 V HA . 16671 1 667 . 1 1 61 61 VAL HB H 1 1.830 . . 1 . . . . 95 V HB . 16671 1 668 . 1 1 61 61 VAL HG11 H 1 0.920 . . 2 . . . . 95 V HG11 . 16671 1 669 . 1 1 61 61 VAL HG12 H 1 0.920 . . 2 . . . . 95 V HG11 . 16671 1 670 . 1 1 61 61 VAL HG13 H 1 0.920 . . 2 . . . . 95 V HG11 . 16671 1 671 . 1 1 61 61 VAL HG21 H 1 1.071 . . 2 . . . . 95 V HG21 . 16671 1 672 . 1 1 61 61 VAL HG22 H 1 1.071 . . 2 . . . . 95 V HG21 . 16671 1 673 . 1 1 61 61 VAL HG23 H 1 1.071 . . 2 . . . . 95 V HG21 . 16671 1 674 . 1 1 61 61 VAL CA C 13 64.360 . . 1 . . . . 95 V CA . 16671 1 675 . 1 1 61 61 VAL CB C 13 31.330 . . 1 . . . . 95 V CB . 16671 1 676 . 1 1 61 61 VAL CG1 C 13 20.700 . . 1 . . . . 95 V CG1 . 16671 1 677 . 1 1 61 61 VAL CG2 C 13 21.200 . . 1 . . . . 95 V CG2 . 16671 1 678 . 1 1 61 61 VAL N N 15 129.300 . . 1 . . . . 95 V N . 16671 1 679 . 1 1 62 62 ASP H H 1 7.910 . . 1 . . . . 96 D HN . 16671 1 680 . 1 1 62 62 ASP HA H 1 4.530 . . 1 . . . . 96 D HA . 16671 1 681 . 1 1 62 62 ASP HB2 H 1 2.300 . . 2 . . . . 96 D HB1 . 16671 1 682 . 1 1 62 62 ASP HB3 H 1 3.130 . . 2 . . . . 96 D HB2 . 16671 1 683 . 1 1 62 62 ASP CA C 13 51.630 . . 1 . . . . 96 D CA . 16671 1 684 . 1 1 62 62 ASP CB C 13 38.300 . . 1 . . . . 96 D CB . 16671 1 685 . 1 1 62 62 ASP N N 15 115.600 . . 1 . . . . 96 D N . 16671 1 686 . 1 1 63 63 LYS H H 1 7.590 . . 1 . . . . 97 K HN . 16671 1 687 . 1 1 63 63 LYS HA H 1 3.870 . . 1 . . . . 97 K HA . 16671 1 688 . 1 1 63 63 LYS HB2 H 1 1.932 . . 2 . . . . 97 K HB1 . 16671 1 689 . 1 1 63 63 LYS HB3 H 1 1.900 . . 2 . . . . 97 K HB2 . 16671 1 690 . 1 1 63 63 LYS HD2 H 1 1.610 . . 2 . . . . 97 K HD1 . 16671 1 691 . 1 1 63 63 LYS HD3 H 1 1.700 . . 2 . . . . 97 K HD2 . 16671 1 692 . 1 1 63 63 LYS HE2 H 1 3.030 . . 2 . . . . 97 K HE1 . 16671 1 693 . 1 1 63 63 LYS HE3 H 1 3.030 . . 2 . . . . 97 K HE2 . 16671 1 694 . 1 1 63 63 LYS HG2 H 1 1.350 . . 2 . . . . 97 K HG1 . 16671 1 695 . 1 1 63 63 LYS HG3 H 1 1.350 . . 2 . . . . 97 K HG2 . 16671 1 696 . 1 1 63 63 LYS CA C 13 56.450 . . 1 . . . . 97 K CA . 16671 1 697 . 1 1 63 63 LYS CB C 13 28.000 . . 1 . . . . 97 K CB . 16671 1 698 . 1 1 63 63 LYS CD C 13 28.000 . . 1 . . . . 97 K CD . 16671 1 699 . 1 1 63 63 LYS CE C 13 41.500 . . 1 . . . . 97 K CE . 16671 1 700 . 1 1 63 63 LYS CG C 13 23.700 . . 1 . . . . 97 K CG . 16671 1 701 . 1 1 63 63 LYS N N 15 115.885 . . 1 . . . . 97 K N . 16671 1 702 . 1 1 64 64 ASP H H 1 8.390 . . 1 . . . . 98 D HN . 16671 1 703 . 1 1 64 64 ASP HA H 1 4.707 . . 1 . . . . 98 D HA . 16671 1 704 . 1 1 64 64 ASP HB2 H 1 2.450 . . 2 . . . . 98 D HB1 . 16671 1 705 . 1 1 64 64 ASP HB3 H 1 2.990 . . 2 . . . . 98 D HB2 . 16671 1 706 . 1 1 64 64 ASP CA C 13 52.060 . . 1 . . . . 98 D CA . 16671 1 707 . 1 1 64 64 ASP CB C 13 39.500 . . 1 . . . . 98 D CB . 16671 1 708 . 1 1 64 64 ASP N N 15 120.300 . . 1 . . . . 98 D N . 16671 1 709 . 1 1 65 65 GLY H H 1 10.740 . . 1 . . . . 99 G HN . 16671 1 710 . 1 1 65 65 GLY HA2 H 1 4.060 . . 2 . . . . 99 G HA1 . 16671 1 711 . 1 1 65 65 GLY HA3 H 1 4.374 . . 2 . . . . 99 G HA2 . 16671 1 712 . 1 1 65 65 GLY CA C 13 45.160 . . 1 . . . . 99 G CA . 16671 1 713 . 1 1 65 65 GLY N N 15 116.000 . . 1 . . . . 99 G N . 16671 1 714 . 1 1 66 66 LEU H H 1 8.097 . . 1 . . . . 100 L HN . 16671 1 715 . 1 1 66 66 LEU HA H 1 5.170 . . 1 . . . . 100 L HA . 16671 1 716 . 1 1 66 66 LEU HB2 H 1 1.490 . . 2 . . . . 100 L HB1 . 16671 1 717 . 1 1 66 66 LEU HB3 H 1 1.680 . . 2 . . . . 100 L HB2 . 16671 1 718 . 1 1 66 66 LEU HD11 H 1 0.821 . . 2 . . . . 100 L HD11 . 16671 1 719 . 1 1 66 66 LEU HD12 H 1 0.821 . . 2 . . . . 100 L HD11 . 16671 1 720 . 1 1 66 66 LEU HD13 H 1 0.821 . . 2 . . . . 100 L HD11 . 16671 1 721 . 1 1 66 66 LEU HD21 H 1 0.893 . . 2 . . . . 100 L HD21 . 16671 1 722 . 1 1 66 66 LEU HD22 H 1 0.893 . . 2 . . . . 100 L HD21 . 16671 1 723 . 1 1 66 66 LEU HD23 H 1 0.893 . . 2 . . . . 100 L HD21 . 16671 1 724 . 1 1 66 66 LEU HG H 1 1.540 . . 1 . . . . 100 L HG . 16671 1 725 . 1 1 66 66 LEU CA C 13 51.700 . . 1 . . . . 100 L CA . 16671 1 726 . 1 1 66 66 LEU CB C 13 44.290 . . 1 . . . . 100 L CB . 16671 1 727 . 1 1 66 66 LEU CD1 C 13 24.860 . . 1 . . . . 100 L CD1 . 16671 1 728 . 1 1 66 66 LEU CD2 C 13 23.500 . . 1 . . . . 100 L CD2 . 16671 1 729 . 1 1 66 66 LEU CG C 13 26.520 . . 1 . . . . 100 L CG . 16671 1 730 . 1 1 66 66 LEU N N 15 122.400 . . 1 . . . . 100 L N . 16671 1 731 . 1 1 67 67 LEU H H 1 8.657 . . 1 . . . . 101 L HN . 16671 1 732 . 1 1 67 67 LEU HA H 1 5.796 . . 1 . . . . 101 L HA . 16671 1 733 . 1 1 67 67 LEU HB2 H 1 1.570 . . 2 . . . . 101 L HB1 . 16671 1 734 . 1 1 67 67 LEU HB3 H 1 1.900 . . 2 . . . . 101 L HB2 . 16671 1 735 . 1 1 67 67 LEU HD11 H 1 0.856 . . 2 . . . . 101 L HD11 . 16671 1 736 . 1 1 67 67 LEU HD12 H 1 0.856 . . 2 . . . . 101 L HD11 . 16671 1 737 . 1 1 67 67 LEU HD13 H 1 0.856 . . 2 . . . . 101 L HD11 . 16671 1 738 . 1 1 67 67 LEU HD21 H 1 -0.050 . . 2 . . . . 101 L HD21 . 16671 1 739 . 1 1 67 67 LEU HD22 H 1 -0.050 . . 2 . . . . 101 L HD21 . 16671 1 740 . 1 1 67 67 LEU HD23 H 1 -0.050 . . 2 . . . . 101 L HD21 . 16671 1 741 . 1 1 67 67 LEU HG H 1 1.540 . . 1 . . . . 101 L HG . 16671 1 742 . 1 1 67 67 LEU CA C 13 51.600 . . 1 . . . . 101 L CA . 16671 1 743 . 1 1 67 67 LEU CB C 13 42.100 . . 1 . . . . 101 L CB . 16671 1 744 . 1 1 67 67 LEU CD1 C 13 25.930 . . 1 . . . . 101 L CD1 . 16671 1 745 . 1 1 67 67 LEU CD2 C 13 19.680 . . 1 . . . . 101 L CD2 . 16671 1 746 . 1 1 67 67 LEU CG C 13 25.080 . . 1 . . . . 101 L CG . 16671 1 747 . 1 1 67 67 LEU N N 15 120.800 . . 1 . . . . 101 L N . 16671 1 748 . 1 1 68 68 ASP H H 1 9.261 . . 1 . . . . 102 D HN . 16671 1 749 . 1 1 68 68 ASP HA H 1 5.620 . . 1 . . . . 102 D HA . 16671 1 750 . 1 1 68 68 ASP HB2 H 1 2.581 . . 2 . . . . 102 D HB1 . 16671 1 751 . 1 1 68 68 ASP HB3 H 1 3.257 . . 2 . . . . 102 D HB2 . 16671 1 752 . 1 1 68 68 ASP CA C 13 50.980 . . 1 . . . . 102 D CA . 16671 1 753 . 1 1 68 68 ASP CB C 13 39.750 . . 1 . . . . 102 D CB . 16671 1 754 . 1 1 68 68 ASP N N 15 124.100 . . 1 . . . . 102 D N . 16671 1 755 . 1 1 69 69 ASP H H 1 8.523 . . 1 . . . . 103 D HN . 16671 1 756 . 1 1 69 69 ASP HA H 1 2.830 . . 1 . . . . 103 D HA . 16671 1 757 . 1 1 69 69 ASP HB2 H 1 1.720 . . 2 . . . . 103 D HB1 . 16671 1 758 . 1 1 69 69 ASP HB3 H 1 2.051 . . 2 . . . . 103 D HB2 . 16671 1 759 . 1 1 69 69 ASP CA C 13 56.160 . . 1 . . . . 103 D CA . 16671 1 760 . 1 1 69 69 ASP CB C 13 37.160 . . 1 . . . . 103 D CB . 16671 1 761 . 1 1 69 69 ASP N N 15 117.200 . . 1 . . . . 103 D N . 16671 1 762 . 1 1 70 70 GLU H H 1 8.003 . . 1 . . . . 104 E HN . 16671 1 763 . 1 1 70 70 GLU HA H 1 4.055 . . 1 . . . . 104 E HA . 16671 1 764 . 1 1 70 70 GLU HB2 H 1 1.810 . . 2 . . . . 104 E HB1 . 16671 1 765 . 1 1 70 70 GLU HB3 H 1 2.130 . . 2 . . . . 104 E HB2 . 16671 1 766 . 1 1 70 70 GLU HG2 H 1 1.980 . . 2 . . . . 104 E HG1 . 16671 1 767 . 1 1 70 70 GLU HG3 H 1 2.511 . . 2 . . . . 104 E HG2 . 16671 1 768 . 1 1 70 70 GLU CA C 13 58.950 . . 1 . . . . 104 E CA . 16671 1 769 . 1 1 70 70 GLU CB C 13 29.134 . . 1 . . . . 104 E CB . 16671 1 770 . 1 1 70 70 GLU CG C 13 36.300 . . 1 . . . . 104 E CG . 16671 1 771 . 1 1 70 70 GLU N N 15 124.606 . . 1 . . . . 104 E N . 16671 1 772 . 1 1 71 71 GLU H H 1 8.760 . . 1 . . . . 105 E HN . 16671 1 773 . 1 1 71 71 GLU HA H 1 4.030 . . 1 . . . . 105 E HA . 16671 1 774 . 1 1 71 71 GLU HB2 H 1 2.240 . . 2 . . . . 105 E HB1 . 16671 1 775 . 1 1 71 71 GLU HB3 H 1 2.450 . . 2 . . . . 105 E HB2 . 16671 1 776 . 1 1 71 71 GLU HG2 H 1 2.340 . . 2 . . . . 105 E HG1 . 16671 1 777 . 1 1 71 71 GLU HG3 H 1 2.910 . . 2 . . . . 105 E HG2 . 16671 1 778 . 1 1 71 71 GLU CA C 13 58.570 . . 1 . . . . 105 E CA . 16671 1 779 . 1 1 71 71 GLU CB C 13 30.270 . . 1 . . . . 105 E CB . 16671 1 780 . 1 1 71 71 GLU CG C 13 36.280 . . 1 . . . . 105 E CG . 16671 1 781 . 1 1 71 71 GLU N N 15 123.400 . . 1 . . . . 105 E N . 16671 1 782 . 1 1 72 72 PHE H H 1 9.416 . . 1 . . . . 106 F HN . 16671 1 783 . 1 1 72 72 PHE HA H 1 4.230 . . 1 . . . . 106 F HA . 16671 1 784 . 1 1 72 72 PHE HB2 H 1 3.010 . . 2 . . . . 106 F HB1 . 16671 1 785 . 1 1 72 72 PHE HB3 H 1 3.217 . . 2 . . . . 106 F HB2 . 16671 1 786 . 1 1 72 72 PHE HD1 H 1 7.600 . . 3 . . . . 106 F HD1 . 16671 1 787 . 1 1 72 72 PHE HD2 H 1 7.600 . . 3 . . . . 106 F HD2 . 16671 1 788 . 1 1 72 72 PHE HE1 H 1 7.420 . . 3 . . . . 106 F HE1 . 16671 1 789 . 1 1 72 72 PHE HE2 H 1 7.420 . . 3 . . . . 106 F HE2 . 16671 1 790 . 1 1 72 72 PHE HZ H 1 7.260 . . 1 . . . . 106 F HZ . 16671 1 791 . 1 1 72 72 PHE CA C 13 60.000 . . 1 . . . . 106 F CA . 16671 1 792 . 1 1 72 72 PHE CB C 13 38.440 . . 1 . . . . 106 F CB . 16671 1 793 . 1 1 72 72 PHE CD1 C 13 129.760 . . 3 . . . . 106 F CD1 . 16671 1 794 . 1 1 72 72 PHE CD2 C 13 129.760 . . 3 . . . . 106 F CD2 . 16671 1 795 . 1 1 72 72 PHE CE1 C 13 127.500 . . 3 . . . . 106 F CE1 . 16671 1 796 . 1 1 72 72 PHE CE2 C 13 127.500 . . 3 . . . . 106 F CE2 . 16671 1 797 . 1 1 72 72 PHE CZ C 13 126.030 . . 1 . . . . 106 F CZ . 16671 1 798 . 1 1 72 72 PHE N N 15 120.550 . . 1 . . . . 106 F N . 16671 1 799 . 1 1 73 73 ALA H H 1 8.085 . . 1 . . . . 107 A HN . 16671 1 800 . 1 1 73 73 ALA HA H 1 3.778 . . 1 . . . . 107 A HA . 16671 1 801 . 1 1 73 73 ALA HB1 H 1 1.840 . . 1 . . . . 107 A HB1 . 16671 1 802 . 1 1 73 73 ALA HB2 H 1 1.840 . . 1 . . . . 107 A HB1 . 16671 1 803 . 1 1 73 73 ALA HB3 H 1 1.840 . . 1 . . . . 107 A HB1 . 16671 1 804 . 1 1 73 73 ALA CA C 13 54.010 . . 1 . . . . 107 A CA . 16671 1 805 . 1 1 73 73 ALA CB C 13 16.691 . . 1 . . . . 107 A CB . 16671 1 806 . 1 1 73 73 ALA N N 15 126.700 . . 1 . . . . 107 A N . 16671 1 807 . 1 1 74 74 LEU H H 1 8.443 . . 1 . . . . 108 L HN . 16671 1 808 . 1 1 74 74 LEU HA H 1 4.048 . . 1 . . . . 108 L HA . 16671 1 809 . 1 1 74 74 LEU HB2 H 1 1.760 . . 2 . . . . 108 L HB1 . 16671 1 810 . 1 1 74 74 LEU HB3 H 1 2.560 . . 2 . . . . 108 L HB2 . 16671 1 811 . 1 1 74 74 LEU HD11 H 1 1.220 . . 2 . . . . 108 L HD11 . 16671 1 812 . 1 1 74 74 LEU HD12 H 1 1.220 . . 2 . . . . 108 L HD11 . 16671 1 813 . 1 1 74 74 LEU HD13 H 1 1.220 . . 2 . . . . 108 L HD11 . 16671 1 814 . 1 1 74 74 LEU HD21 H 1 1.177 . . 2 . . . . 108 L HD21 . 16671 1 815 . 1 1 74 74 LEU HD22 H 1 1.177 . . 2 . . . . 108 L HD21 . 16671 1 816 . 1 1 74 74 LEU HD23 H 1 1.177 . . 2 . . . . 108 L HD21 . 16671 1 817 . 1 1 74 74 LEU HG H 1 1.566 . . 1 . . . . 108 L HG . 16671 1 818 . 1 1 74 74 LEU CA C 13 56.811 . . 1 . . . . 108 L CA . 16671 1 819 . 1 1 74 74 LEU CB C 13 41.090 . . 1 . . . . 108 L CB . 16671 1 820 . 1 1 74 74 LEU CD1 C 13 26.400 . . 1 . . . . 108 L CD1 . 16671 1 821 . 1 1 74 74 LEU CD2 C 13 22.260 . . 1 . . . . 108 L CD2 . 16671 1 822 . 1 1 74 74 LEU CG C 13 26.400 . . 1 . . . . 108 L CG . 16671 1 823 . 1 1 74 74 LEU N N 15 121.000 . . 1 . . . . 108 L N . 16671 1 824 . 1 1 75 75 ALA H H 1 8.677 . . 1 . . . . 109 A HN . 16671 1 825 . 1 1 75 75 ALA HA H 1 3.650 . . 1 . . . . 109 A HA . 16671 1 826 . 1 1 75 75 ALA HB1 H 1 1.220 . . 1 . . . . 109 A HB1 . 16671 1 827 . 1 1 75 75 ALA HB2 H 1 1.220 . . 1 . . . . 109 A HB1 . 16671 1 828 . 1 1 75 75 ALA HB3 H 1 1.220 . . 1 . . . . 109 A HB1 . 16671 1 829 . 1 1 75 75 ALA CA C 13 54.220 . . 1 . . . . 109 A CA . 16671 1 830 . 1 1 75 75 ALA CB C 13 15.367 . . 1 . . . . 109 A CB . 16671 1 831 . 1 1 75 75 ALA N N 15 122.981 . . 1 . . . . 109 A N . 16671 1 832 . 1 1 76 76 ASN H H 1 7.300 . . 1 . . . . 110 N HN . 16671 1 833 . 1 1 76 76 ASN HA H 1 3.800 . . 1 . . . . 110 N HA . 16671 1 834 . 1 1 76 76 ASN HB2 H 1 1.280 . . 2 . . . . 110 N HB1 . 16671 1 835 . 1 1 76 76 ASN HB3 H 1 1.400 . . 2 . . . . 110 N HB2 . 16671 1 836 . 1 1 76 76 ASN HD21 H 1 5.785 . . 2 . . . . 110 N HD21 . 16671 1 837 . 1 1 76 76 ASN HD22 H 1 3.959 . . 2 . . . . 110 N HD22 . 16671 1 838 . 1 1 76 76 ASN CA C 13 55.500 . . 1 . . . . 110 N CA . 16671 1 839 . 1 1 76 76 ASN CB C 13 36.610 . . 1 . . . . 110 N CB . 16671 1 840 . 1 1 76 76 ASN N N 15 115.600 . . 1 . . . . 110 N N . 16671 1 841 . 1 1 76 76 ASN ND2 N 15 109.877 . . 1 . . . . 110 N ND2 . 16671 1 842 . 1 1 77 77 HIS H H 1 8.363 . . 1 . . . . 111 H HN . 16671 1 843 . 1 1 77 77 HIS HA H 1 4.092 . . 1 . . . . 111 H HA . 16671 1 844 . 1 1 77 77 HIS HB2 H 1 3.030 . . 2 . . . . 111 H HB1 . 16671 1 845 . 1 1 77 77 HIS HB3 H 1 3.290 . . 2 . . . . 111 H HB2 . 16671 1 846 . 1 1 77 77 HIS HD2 H 1 6.270 . . 3 . . . . 111 H HD2 . 16671 1 847 . 1 1 77 77 HIS HE1 H 1 7.548 . . 3 . . . . 111 H HE1 . 16671 1 848 . 1 1 77 77 HIS CA C 13 59.180 . . 1 . . . . 111 H CA . 16671 1 849 . 1 1 77 77 HIS CB C 13 30.420 . . 1 . . . . 111 H CB . 16671 1 850 . 1 1 77 77 HIS CD2 C 13 113.040 . . 1 . . . . 111 H CD2 . 16671 1 851 . 1 1 77 77 HIS CE1 C 13 135.180 . . 1 . . . . 111 H CE1 . 16671 1 852 . 1 1 77 77 HIS N N 15 124.400 . . 1 . . . . 111 H N . 16671 1 853 . 1 1 78 78 LEU H H 1 8.278 . . 1 . . . . 112 L HN . 16671 1 854 . 1 1 78 78 LEU HA H 1 3.800 . . 1 . . . . 112 L HA . 16671 1 855 . 1 1 78 78 LEU HB2 H 1 1.100 . . 2 . . . . 112 L HB1 . 16671 1 856 . 1 1 78 78 LEU HB3 H 1 2.010 . . 2 . . . . 112 L HB2 . 16671 1 857 . 1 1 78 78 LEU HD11 H 1 0.813 . . 2 . . . . 112 L HD11 . 16671 1 858 . 1 1 78 78 LEU HD12 H 1 0.813 . . 2 . . . . 112 L HD11 . 16671 1 859 . 1 1 78 78 LEU HD13 H 1 0.813 . . 2 . . . . 112 L HD11 . 16671 1 860 . 1 1 78 78 LEU HD21 H 1 0.710 . . 2 . . . . 112 L HD21 . 16671 1 861 . 1 1 78 78 LEU HD22 H 1 0.710 . . 2 . . . . 112 L HD21 . 16671 1 862 . 1 1 78 78 LEU HD23 H 1 0.710 . . 2 . . . . 112 L HD21 . 16671 1 863 . 1 1 78 78 LEU HG H 1 1.960 . . 1 . . . . 112 L HG . 16671 1 864 . 1 1 78 78 LEU CA C 13 56.115 . . 1 . . . . 112 L CA . 16671 1 865 . 1 1 78 78 LEU CB C 13 41.000 . . 1 . . . . 112 L CB . 16671 1 866 . 1 1 78 78 LEU CD1 C 13 26.580 . . 1 . . . . 112 L CD1 . 16671 1 867 . 1 1 78 78 LEU CD2 C 13 20.120 . . 1 . . . . 112 L CD2 . 16671 1 868 . 1 1 78 78 LEU CG C 13 25.800 . . 1 . . . . 112 L CG . 16671 1 869 . 1 1 78 78 LEU N N 15 119.085 . . 1 . . . . 112 L N . 16671 1 870 . 1 1 79 79 ILE H H 1 7.790 . . 1 . . . . 113 I HN . 16671 1 871 . 1 1 79 79 ILE HA H 1 3.250 . . 1 . . . . 113 I HA . 16671 1 872 . 1 1 79 79 ILE HB H 1 1.902 . . 1 . . . . 113 I HB . 16671 1 873 . 1 1 79 79 ILE HD11 H 1 0.774 . . 1 . . . . 113 I HD11 . 16671 1 874 . 1 1 79 79 ILE HD12 H 1 0.774 . . 1 . . . . 113 I HD11 . 16671 1 875 . 1 1 79 79 ILE HD13 H 1 0.774 . . 1 . . . . 113 I HD11 . 16671 1 876 . 1 1 79 79 ILE HG12 H 1 0.672 . . 1 . . . . 113 I HG11 . 16671 1 877 . 1 1 79 79 ILE HG13 H 1 1.955 . . 1 . . . . 113 I HG12 . 16671 1 878 . 1 1 79 79 ILE HG21 H 1 0.880 . . 2 . . . . 113 I HG21 . 16671 1 879 . 1 1 79 79 ILE HG22 H 1 0.880 . . 2 . . . . 113 I HG21 . 16671 1 880 . 1 1 79 79 ILE HG23 H 1 0.880 . . 2 . . . . 113 I HG21 . 16671 1 881 . 1 1 79 79 ILE CA C 13 65.020 . . 1 . . . . 113 I CA . 16671 1 882 . 1 1 79 79 ILE CB C 13 36.730 . . 1 . . . . 113 I CB . 16671 1 883 . 1 1 79 79 ILE CD1 C 13 12.300 . . 1 . . . . 113 I CD1 . 16671 1 884 . 1 1 79 79 ILE CG1 C 13 29.370 . . 2 . . . . 113 I CG1 . 16671 1 885 . 1 1 79 79 ILE CG2 C 13 16.220 . . 1 . . . . 113 I CG2 . 16671 1 886 . 1 1 79 79 ILE N N 15 121.000 . . 1 . . . . 113 I N . 16671 1 887 . 1 1 80 80 LYS H H 1 7.506 . . 1 . . . . 114 K HN . 16671 1 888 . 1 1 80 80 LYS HA H 1 3.820 . . 1 . . . . 114 K HA . 16671 1 889 . 1 1 80 80 LYS HB2 H 1 1.820 . . 2 . . . . 114 K HB1 . 16671 1 890 . 1 1 80 80 LYS HB3 H 1 1.950 . . 2 . . . . 114 K HB2 . 16671 1 891 . 1 1 80 80 LYS HD2 H 1 1.660 . . 2 . . . . 114 K HD1 . 16671 1 892 . 1 1 80 80 LYS HD3 H 1 1.740 . . 2 . . . . 114 K HD2 . 16671 1 893 . 1 1 80 80 LYS HE2 H 1 2.970 . . 2 . . . . 114 K HE1 . 16671 1 894 . 1 1 80 80 LYS HE3 H 1 3.033 . . 2 . . . . 114 K HE2 . 16671 1 895 . 1 1 80 80 LYS HG2 H 1 1.150 . . 2 . . . . 114 K HG1 . 16671 1 896 . 1 1 80 80 LYS HG3 H 1 1.490 . . 2 . . . . 114 K HG2 . 16671 1 897 . 1 1 80 80 LYS CA C 13 58.970 . . 1 . . . . 114 K CA . 16671 1 898 . 1 1 80 80 LYS CB C 13 30.470 . . 1 . . . . 114 K CB . 16671 1 899 . 1 1 80 80 LYS CD C 13 28.500 . . 1 . . . . 114 K CD . 16671 1 900 . 1 1 80 80 LYS CE C 13 41.200 . . 1 . . . . 114 K CE . 16671 1 901 . 1 1 80 80 LYS CG C 13 23.500 . . 1 . . . . 114 K CG . 16671 1 902 . 1 1 80 80 LYS N N 15 122.150 . . 1 . . . . 114 K N . 16671 1 903 . 1 1 81 81 VAL H H 1 8.090 . . 1 . . . . 115 V HN . 16671 1 904 . 1 1 81 81 VAL HA H 1 3.736 . . 1 . . . . 115 V HA . 16671 1 905 . 1 1 81 81 VAL HB H 1 2.080 . . 1 . . . . 115 V HB . 16671 1 906 . 1 1 81 81 VAL HG11 H 1 0.705 . . 2 . . . . 115 V HG11 . 16671 1 907 . 1 1 81 81 VAL HG12 H 1 0.705 . . 2 . . . . 115 V HG11 . 16671 1 908 . 1 1 81 81 VAL HG13 H 1 0.705 . . 2 . . . . 115 V HG11 . 16671 1 909 . 1 1 81 81 VAL HG21 H 1 0.672 . . 2 . . . . 115 V HG21 . 16671 1 910 . 1 1 81 81 VAL HG22 H 1 0.672 . . 2 . . . . 115 V HG21 . 16671 1 911 . 1 1 81 81 VAL HG23 H 1 0.672 . . 2 . . . . 115 V HG21 . 16671 1 912 . 1 1 81 81 VAL CA C 13 64.500 . . 1 . . . . 115 V CA . 16671 1 913 . 1 1 81 81 VAL CB C 13 30.050 . . 1 . . . . 115 V CB . 16671 1 914 . 1 1 81 81 VAL CG1 C 13 19.770 . . 1 . . . . 115 V CG1 . 16671 1 915 . 1 1 81 81 VAL CG2 C 13 20.320 . . 1 . . . . 115 V CG2 . 16671 1 916 . 1 1 81 81 VAL N N 15 118.700 . . 1 . . . . 115 V N . 16671 1 917 . 1 1 82 82 LYS H H 1 7.820 . . 1 . . . . 116 K HN . 16671 1 918 . 1 1 82 82 LYS HA H 1 4.520 . . 1 . . . . 116 K HA . 16671 1 919 . 1 1 82 82 LYS HB2 H 1 1.730 . . 2 . . . . 116 K HB1 . 16671 1 920 . 1 1 82 82 LYS HB3 H 1 2.068 . . 2 . . . . 116 K HB2 . 16671 1 921 . 1 1 82 82 LYS HD2 H 1 1.630 . . 2 . . . . 116 K HD1 . 16671 1 922 . 1 1 82 82 LYS HD3 H 1 1.995 . . 2 . . . . 116 K HD2 . 16671 1 923 . 1 1 82 82 LYS HE2 H 1 3.020 . . 2 . . . . 116 K HE1 . 16671 1 924 . 1 1 82 82 LYS HE3 H 1 2.920 . . 2 . . . . 116 K HE2 . 16671 1 925 . 1 1 82 82 LYS HG2 H 1 1.280 . . 2 . . . . 116 K HG1 . 16671 1 926 . 1 1 82 82 LYS HG3 H 1 1.470 . . 2 . . . . 116 K HG2 . 16671 1 927 . 1 1 82 82 LYS CA C 13 56.000 . . 1 . . . . 116 K CA . 16671 1 928 . 1 1 82 82 LYS CB C 13 30.340 . . 1 . . . . 116 K CB . 16671 1 929 . 1 1 82 82 LYS CD C 13 26.600 . . 1 . . . . 116 K CD . 16671 1 930 . 1 1 82 82 LYS CE C 13 40.800 . . 1 . . . . 116 K CE . 16671 1 931 . 1 1 82 82 LYS CG C 13 23.500 . . 1 . . . . 116 K CG . 16671 1 932 . 1 1 82 82 LYS N N 15 122.800 . . 1 . . . . 116 K N . 16671 1 933 . 1 1 83 83 LEU H H 1 8.959 . . 1 . . . . 117 L HN . 16671 1 934 . 1 1 83 83 LEU HA H 1 4.080 . . 1 . . . . 117 L HA . 16671 1 935 . 1 1 83 83 LEU HB2 H 1 1.420 . . 2 . . . . 117 L HB1 . 16671 1 936 . 1 1 83 83 LEU HB3 H 1 2.060 . . 2 . . . . 117 L HB2 . 16671 1 937 . 1 1 83 83 LEU HD11 H 1 0.840 . . 2 . . . . 117 L HD11 . 16671 1 938 . 1 1 83 83 LEU HD12 H 1 0.840 . . 2 . . . . 117 L HD11 . 16671 1 939 . 1 1 83 83 LEU HD13 H 1 0.840 . . 2 . . . . 117 L HD11 . 16671 1 940 . 1 1 83 83 LEU HD21 H 1 0.912 . . 2 . . . . 117 L HD21 . 16671 1 941 . 1 1 83 83 LEU HD22 H 1 0.912 . . 2 . . . . 117 L HD21 . 16671 1 942 . 1 1 83 83 LEU HD23 H 1 0.912 . . 2 . . . . 117 L HD21 . 16671 1 943 . 1 1 83 83 LEU HG H 1 1.840 . . 1 . . . . 117 L HG . 16671 1 944 . 1 1 83 83 LEU CA C 13 56.620 . . 1 . . . . 117 L CA . 16671 1 945 . 1 1 83 83 LEU CB C 13 40.361 . . 1 . . . . 117 L CB . 16671 1 946 . 1 1 83 83 LEU CD1 C 13 25.000 . . 1 . . . . 117 L CD1 . 16671 1 947 . 1 1 83 83 LEU CD2 C 13 20.700 . . 1 . . . . 117 L CD2 . 16671 1 948 . 1 1 83 83 LEU CG C 13 25.800 . . 1 . . . . 117 L CG . 16671 1 949 . 1 1 83 83 LEU N N 15 125.200 . . 1 . . . . 117 L N . 16671 1 950 . 1 1 84 84 GLU H H 1 7.817 . . 1 . . . . 118 E HN . 16671 1 951 . 1 1 84 84 GLU HA H 1 4.156 . . 1 . . . . 118 E HA . 16671 1 952 . 1 1 84 84 GLU HB2 H 1 2.090 . . 2 . . . . 118 E HB1 . 16671 1 953 . 1 1 84 84 GLU HB3 H 1 2.150 . . 2 . . . . 118 E HB2 . 16671 1 954 . 1 1 84 84 GLU HG2 H 1 2.250 . . 2 . . . . 118 E HG1 . 16671 1 955 . 1 1 84 84 GLU HG3 H 1 2.530 . . 2 . . . . 118 E HG2 . 16671 1 956 . 1 1 84 84 GLU CA C 13 55.100 . . 1 . . . . 118 E CA . 16671 1 957 . 1 1 84 84 GLU CB C 13 28.600 . . 1 . . . . 118 E CB . 16671 1 958 . 1 1 84 84 GLU CG C 13 35.500 . . 1 . . . . 118 E CG . 16671 1 959 . 1 1 84 84 GLU N N 15 119.766 . . 1 . . . . 118 E N . 16671 1 960 . 1 1 85 85 GLY H H 1 7.830 . . 1 . . . . 119 G HN . 16671 1 961 . 1 1 85 85 GLY HA2 H 1 3.640 . . 2 . . . . 119 G HA1 . 16671 1 962 . 1 1 85 85 GLY HA3 H 1 4.140 . . 2 . . . . 119 G HA2 . 16671 1 963 . 1 1 85 85 GLY CA C 13 43.690 . . 1 . . . . 119 G CA . 16671 1 964 . 1 1 85 85 GLY N N 15 107.933 . . 1 . . . . 119 G N . 16671 1 965 . 1 1 86 86 HIS H H 1 7.690 . . 1 . . . . 120 H HN . 16671 1 966 . 1 1 86 86 HIS HA H 1 4.670 . . 1 . . . . 120 H HA . 16671 1 967 . 1 1 86 86 HIS HB2 H 1 2.880 . . 2 . . . . 120 H HB1 . 16671 1 968 . 1 1 86 86 HIS HB3 H 1 3.030 . . 2 . . . . 120 H HB2 . 16671 1 969 . 1 1 86 86 HIS HD2 H 1 7.170 . . 3 . . . . 120 H HD2 . 16671 1 970 . 1 1 86 86 HIS HE1 H 1 8.750 . . 3 . . . . 120 H HE1 . 16671 1 971 . 1 1 86 86 HIS CA C 13 53.780 . . 1 . . . . 120 H CA . 16671 1 972 . 1 1 86 86 HIS CB C 13 29.390 . . 1 . . . . 120 H CB . 16671 1 973 . 1 1 86 86 HIS CD2 C 13 116.300 . . 1 . . . . 120 H CD2 . 16671 1 974 . 1 1 86 86 HIS N N 15 122.100 . . 1 . . . . 120 H N . 16671 1 975 . 1 1 87 87 GLU H H 1 8.491 . . 1 . . . . 121 E HN . 16671 1 976 . 1 1 87 87 GLU HA H 1 4.270 . . 1 . . . . 121 E HA . 16671 1 977 . 1 1 87 87 GLU HB2 H 1 1.850 . . 2 . . . . 121 E HB1 . 16671 1 978 . 1 1 87 87 GLU HB3 H 1 1.970 . . 2 . . . . 121 E HB2 . 16671 1 979 . 1 1 87 87 GLU HG2 H 1 2.290 . . 2 . . . . 121 E HG1 . 16671 1 980 . 1 1 87 87 GLU HG3 H 1 2.391 . . 2 . . . . 121 E HG2 . 16671 1 981 . 1 1 87 87 GLU CA C 13 54.000 . . 1 . . . . 121 E CA . 16671 1 982 . 1 1 87 87 GLU CB C 13 29.120 . . 1 . . . . 121 E CB . 16671 1 983 . 1 1 87 87 GLU CG C 13 34.610 . . 1 . . . . 121 E CG . 16671 1 984 . 1 1 87 87 GLU N N 15 121.600 . . 1 . . . . 121 E N . 16671 1 985 . 1 1 88 88 LEU H H 1 8.659 . . 1 . . . . 122 L HN . 16671 1 986 . 1 1 88 88 LEU HA H 1 4.417 . . 1 . . . . 122 L HA . 16671 1 987 . 1 1 88 88 LEU HB2 H 1 1.182 . . 2 . . . . 122 L HB1 . 16671 1 988 . 1 1 88 88 LEU HB3 H 1 1.663 . . 2 . . . . 122 L HB2 . 16671 1 989 . 1 1 88 88 LEU HD11 H 1 0.792 . . 2 . . . . 122 L HD11 . 16671 1 990 . 1 1 88 88 LEU HD12 H 1 0.792 . . 2 . . . . 122 L HD11 . 16671 1 991 . 1 1 88 88 LEU HD13 H 1 0.792 . . 2 . . . . 122 L HD11 . 16671 1 992 . 1 1 88 88 LEU HD21 H 1 0.852 . . 2 . . . . 122 L HD21 . 16671 1 993 . 1 1 88 88 LEU HD22 H 1 0.852 . . 2 . . . . 122 L HD21 . 16671 1 994 . 1 1 88 88 LEU HD23 H 1 0.852 . . 2 . . . . 122 L HD21 . 16671 1 995 . 1 1 88 88 LEU HG H 1 1.663 . . 1 . . . . 122 L HG . 16671 1 996 . 1 1 88 88 LEU CA C 13 50.777 . . 1 . . . . 122 L CA . 16671 1 997 . 1 1 88 88 LEU CB C 13 39.986 . . 1 . . . . 122 L CB . 16671 1 998 . 1 1 88 88 LEU CD1 C 13 22.200 . . 1 . . . . 122 L CD1 . 16671 1 999 . 1 1 88 88 LEU CD2 C 13 25.300 . . 1 . . . . 122 L CD2 . 16671 1 1000 . 1 1 88 88 LEU CG C 13 25.660 . . 1 . . . . 122 L CG . 16671 1 1001 . 1 1 88 88 LEU N N 15 125.000 . . 1 . . . . 122 L N . 16671 1 1002 . 1 1 89 89 PRO HA H 1 4.570 . . 1 . . . . 123 P HA . 16671 1 1003 . 1 1 89 89 PRO HB2 H 1 2.290 . . 2 . . . . 123 P HB1 . 16671 1 1004 . 1 1 89 89 PRO HB3 H 1 2.330 . . 2 . . . . 123 P HB2 . 16671 1 1005 . 1 1 89 89 PRO HD2 H 1 3.320 . . 2 . . . . 123 P HD1 . 16671 1 1006 . 1 1 89 89 PRO HD3 H 1 3.740 . . 2 . . . . 123 P HD2 . 16671 1 1007 . 1 1 89 89 PRO HG2 H 1 1.840 . . 2 . . . . 123 P HG1 . 16671 1 1008 . 1 1 89 89 PRO HG3 H 1 1.920 . . 2 . . . . 123 P HG2 . 16671 1 1009 . 1 1 89 89 PRO CA C 13 60.690 . . 1 . . . . 123 P CA . 16671 1 1010 . 1 1 89 89 PRO CB C 13 30.320 . . 1 . . . . 123 P CB . 16671 1 1011 . 1 1 89 89 PRO CD C 13 47.740 . . 1 . . . . 123 P CD . 16671 1 1012 . 1 1 89 89 PRO CG C 13 25.070 . . 1 . . . . 123 P CG . 16671 1 1013 . 1 1 90 90 ALA H H 1 8.464 . . 1 . . . . 124 A HN . 16671 1 1014 . 1 1 90 90 ALA HA H 1 4.068 . . 1 . . . . 124 A HA . 16671 1 1015 . 1 1 90 90 ALA HB1 H 1 1.380 . . 1 . . . . 124 A HB1 . 16671 1 1016 . 1 1 90 90 ALA HB2 H 1 1.380 . . 1 . . . . 124 A HB1 . 16671 1 1017 . 1 1 90 90 ALA HB3 H 1 1.380 . . 1 . . . . 124 A HB1 . 16671 1 1018 . 1 1 90 90 ALA CA C 13 52.700 . . 1 . . . . 124 A CA . 16671 1 1019 . 1 1 90 90 ALA CB C 13 17.760 . . 1 . . . . 124 A CB . 16671 1 1020 . 1 1 90 90 ALA N N 15 123.603 . . 1 . . . . 124 A N . 16671 1 1021 . 1 1 91 91 ASP H H 1 7.482 . . 1 . . . . 125 D HN . 16671 1 1022 . 1 1 91 91 ASP HA H 1 4.630 . . 1 . . . . 125 D HA . 16671 1 1023 . 1 1 91 91 ASP HB2 H 1 2.340 . . 2 . . . . 125 D HB1 . 16671 1 1024 . 1 1 91 91 ASP HB3 H 1 2.510 . . 2 . . . . 125 D HB2 . 16671 1 1025 . 1 1 91 91 ASP CA C 13 50.340 . . 1 . . . . 125 D CA . 16671 1 1026 . 1 1 91 91 ASP CB C 13 42.620 . . 1 . . . . 125 D CB . 16671 1 1027 . 1 1 91 91 ASP N N 15 115.100 . . 1 . . . . 125 D N . 16671 1 1028 . 1 1 92 92 LEU H H 1 8.883 . . 1 . . . . 126 L HN . 16671 1 1029 . 1 1 92 92 LEU HA H 1 4.176 . . 1 . . . . 126 L HA . 16671 1 1030 . 1 1 92 92 LEU HB2 H 1 1.560 . . 2 . . . . 126 L HB1 . 16671 1 1031 . 1 1 92 92 LEU HB3 H 1 1.620 . . 2 . . . . 126 L HB2 . 16671 1 1032 . 1 1 92 92 LEU HD11 H 1 0.899 . . 2 . . . . 126 L HD11 . 16671 1 1033 . 1 1 92 92 LEU HD12 H 1 0.899 . . 2 . . . . 126 L HD11 . 16671 1 1034 . 1 1 92 92 LEU HD13 H 1 0.899 . . 2 . . . . 126 L HD11 . 16671 1 1035 . 1 1 92 92 LEU HD21 H 1 0.981 . . 2 . . . . 126 L HD21 . 16671 1 1036 . 1 1 92 92 LEU HD22 H 1 0.981 . . 2 . . . . 126 L HD21 . 16671 1 1037 . 1 1 92 92 LEU HD23 H 1 0.981 . . 2 . . . . 126 L HD21 . 16671 1 1038 . 1 1 92 92 LEU HG H 1 1.714 . . 1 . . . . 126 L HG . 16671 1 1039 . 1 1 92 92 LEU CA C 13 51.930 . . 1 . . . . 126 L CA . 16671 1 1040 . 1 1 92 92 LEU CB C 13 41.032 . . 1 . . . . 126 L CB . 16671 1 1041 . 1 1 92 92 LEU CD1 C 13 24.200 . . 1 . . . . 126 L CD1 . 16671 1 1042 . 1 1 92 92 LEU CD2 C 13 24.700 . . 1 . . . . 126 L CD2 . 16671 1 1043 . 1 1 92 92 LEU CG C 13 25.070 . . 1 . . . . 126 L CG . 16671 1 1044 . 1 1 92 92 LEU N N 15 125.200 . . 1 . . . . 126 L N . 16671 1 1045 . 1 1 93 93 PRO HA H 1 4.860 . . 1 . . . . 127 P HA . 16671 1 1046 . 1 1 93 93 PRO HB2 H 1 1.950 . . 2 . . . . 127 P HB1 . 16671 1 1047 . 1 1 93 93 PRO HB3 H 1 2.500 . . 2 . . . . 127 P HB2 . 16671 1 1048 . 1 1 93 93 PRO HD2 H 1 3.520 . . 2 . . . . 127 P HD1 . 16671 1 1049 . 1 1 93 93 PRO HD3 H 1 4.120 . . 2 . . . . 127 P HD2 . 16671 1 1050 . 1 1 93 93 PRO HG2 H 1 1.550 . . 2 . . . . 127 P HG1 . 16671 1 1051 . 1 1 93 93 PRO HG3 H 1 2.090 . . 2 . . . . 127 P HG2 . 16671 1 1052 . 1 1 93 93 PRO CA C 13 59.820 . . 1 . . . . 127 P CA . 16671 1 1053 . 1 1 93 93 PRO CB C 13 29.800 . . 1 . . . . 127 P CB . 16671 1 1054 . 1 1 93 93 PRO CD C 13 49.200 . . 1 . . . . 127 P CD . 16671 1 1055 . 1 1 93 93 PRO CG C 13 25.850 . . 1 . . . . 127 P CG . 16671 1 1056 . 1 1 94 94 PRO HA H 1 4.220 . . 1 . . . . 128 P HA . 16671 1 1057 . 1 1 94 94 PRO HB2 H 1 2.030 . . 2 . . . . 128 P HB1 . 16671 1 1058 . 1 1 94 94 PRO HB3 H 1 2.440 . . 2 . . . . 128 P HB2 . 16671 1 1059 . 1 1 94 94 PRO HD2 H 1 3.880 . . 2 . . . . 128 P HD1 . 16671 1 1060 . 1 1 94 94 PRO HD3 H 1 3.920 . . 2 . . . . 128 P HD2 . 16671 1 1061 . 1 1 94 94 PRO HG2 H 1 2.120 . . 2 . . . . 128 P HG1 . 16671 1 1062 . 1 1 94 94 PRO HG3 H 1 2.250 . . 2 . . . . 128 P HG2 . 16671 1 1063 . 1 1 94 94 PRO CA C 13 64.560 . . 1 . . . . 128 P CA . 16671 1 1064 . 1 1 94 94 PRO CB C 13 30.900 . . 1 . . . . 128 P CB . 16671 1 1065 . 1 1 94 94 PRO CD C 13 49.030 . . 1 . . . . 128 P CD . 16671 1 1066 . 1 1 94 94 PRO CG C 13 26.370 . . 1 . . . . 128 P CG . 16671 1 1067 . 1 1 95 95 HIS H H 1 7.930 . . 1 . . . . 129 H HN . 16671 1 1068 . 1 1 95 95 HIS HA H 1 4.650 . . 1 . . . . 129 H HA . 16671 1 1069 . 1 1 95 95 HIS HB2 H 1 3.030 . . 2 . . . . 129 H HB1 . 16671 1 1070 . 1 1 95 95 HIS HB3 H 1 3.430 . . 2 . . . . 129 H HB2 . 16671 1 1071 . 1 1 95 95 HIS HD2 H 1 6.900 . . 3 . . . . 129 H HD2 . 16671 1 1072 . 1 1 95 95 HIS HE1 H 1 7.800 . . 3 . . . . 129 H HE1 . 16671 1 1073 . 1 1 95 95 HIS CA C 13 56.810 . . 1 . . . . 129 H CA . 16671 1 1074 . 1 1 95 95 HIS CB C 13 28.100 . . 1 . . . . 129 H CB . 16671 1 1075 . 1 1 95 95 HIS CD2 C 13 114.660 . . 1 . . . . 129 H CD2 . 16671 1 1076 . 1 1 95 95 HIS CE1 C 13 135.970 . . 1 . . . . 129 H CE1 . 16671 1 1077 . 1 1 95 95 HIS N N 15 112.500 . . 1 . . . . 129 H N . 16671 1 1078 . 1 1 96 96 LEU H H 1 7.717 . . 1 . . . . 130 L HN . 16671 1 1079 . 1 1 96 96 LEU HA H 1 4.646 . . 1 . . . . 130 L HA . 16671 1 1080 . 1 1 96 96 LEU HB2 H 1 1.458 . . 2 . . . . 130 L HB1 . 16671 1 1081 . 1 1 96 96 LEU HB3 H 1 1.698 . . 2 . . . . 130 L HB2 . 16671 1 1082 . 1 1 96 96 LEU HD11 H 1 0.754 . . 2 . . . . 130 L HD11 . 16671 1 1083 . 1 1 96 96 LEU HD12 H 1 0.754 . . 2 . . . . 130 L HD11 . 16671 1 1084 . 1 1 96 96 LEU HD13 H 1 0.754 . . 2 . . . . 130 L HD11 . 16671 1 1085 . 1 1 96 96 LEU HD21 H 1 0.610 . . 2 . . . . 130 L HD21 . 16671 1 1086 . 1 1 96 96 LEU HD22 H 1 0.610 . . 2 . . . . 130 L HD21 . 16671 1 1087 . 1 1 96 96 LEU HD23 H 1 0.610 . . 2 . . . . 130 L HD21 . 16671 1 1088 . 1 1 96 96 LEU HG H 1 1.000 . . 1 . . . . 130 L HG . 16671 1 1089 . 1 1 96 96 LEU CA C 13 52.920 . . 1 . . . . 130 L CA . 16671 1 1090 . 1 1 96 96 LEU CB C 13 42.210 . . 1 . . . . 130 L CB . 16671 1 1091 . 1 1 96 96 LEU CD1 C 13 23.500 . . 1 . . . . 130 L CD1 . 16671 1 1092 . 1 1 96 96 LEU CD2 C 13 22.270 . . 1 . . . . 130 L CD2 . 16671 1 1093 . 1 1 96 96 LEU CG C 13 25.400 . . 1 . . . . 130 L CG . 16671 1 1094 . 1 1 96 96 LEU N N 15 121.000 . . 1 . . . . 130 L N . 16671 1 1095 . 1 1 97 97 VAL H H 1 7.150 . . 1 . . . . 131 V HN . 16671 1 1096 . 1 1 97 97 VAL HA H 1 3.720 . . 1 . . . . 131 V HA . 16671 1 1097 . 1 1 97 97 VAL HB H 1 1.950 . . 1 . . . . 131 V HB . 16671 1 1098 . 1 1 97 97 VAL HG11 H 1 0.812 . . 2 . . . . 131 V HG11 . 16671 1 1099 . 1 1 97 97 VAL HG12 H 1 0.812 . . 2 . . . . 131 V HG11 . 16671 1 1100 . 1 1 97 97 VAL HG13 H 1 0.812 . . 2 . . . . 131 V HG11 . 16671 1 1101 . 1 1 97 97 VAL HG21 H 1 0.980 . . 2 . . . . 131 V HG21 . 16671 1 1102 . 1 1 97 97 VAL HG22 H 1 0.980 . . 2 . . . . 131 V HG21 . 16671 1 1103 . 1 1 97 97 VAL HG23 H 1 0.980 . . 2 . . . . 131 V HG21 . 16671 1 1104 . 1 1 97 97 VAL CA C 13 60.520 . . 1 . . . . 131 V CA . 16671 1 1105 . 1 1 97 97 VAL CB C 13 31.310 . . 1 . . . . 131 V CB . 16671 1 1106 . 1 1 97 97 VAL CG1 C 13 19.500 . . 1 . . . . 131 V CG1 . 16671 1 1107 . 1 1 97 97 VAL CG2 C 13 21.330 . . 1 . . . . 131 V CG2 . 16671 1 1108 . 1 1 97 97 VAL N N 15 125.460 . . 1 . . . . 131 V N . 16671 1 1109 . 1 1 98 98 PRO HA H 1 2.720 . . 1 . . . . 132 P HA . 16671 1 1110 . 1 1 98 98 PRO HB2 H 1 1.420 . . 2 . . . . 132 P HB1 . 16671 1 1111 . 1 1 98 98 PRO HB3 H 1 1.860 . . 2 . . . . 132 P HB2 . 16671 1 1112 . 1 1 98 98 PRO HD2 H 1 3.250 . . 2 . . . . 132 P HD1 . 16671 1 1113 . 1 1 98 98 PRO HD3 H 1 4.270 . . 2 . . . . 132 P HD2 . 16671 1 1114 . 1 1 98 98 PRO HG2 H 1 1.770 . . 2 . . . . 132 P HG1 . 16671 1 1115 . 1 1 98 98 PRO HG3 H 1 1.850 . . 2 . . . . 132 P HG2 . 16671 1 1116 . 1 1 98 98 PRO CA C 13 59.400 . . 1 . . . . 132 P CA . 16671 1 1117 . 1 1 98 98 PRO CB C 13 30.250 . . 1 . . . . 132 P CB . 16671 1 1118 . 1 1 98 98 PRO CD C 13 49.500 . . 1 . . . . 132 P CD . 16671 1 1119 . 1 1 98 98 PRO CG C 13 26.200 . . 1 . . . . 132 P CG . 16671 1 1120 . 1 1 99 99 PRO HA H 1 3.610 . . 1 . . . . 133 P HA . 16671 1 1121 . 1 1 99 99 PRO HB2 H 1 1.840 . . 2 . . . . 133 P HB1 . 16671 1 1122 . 1 1 99 99 PRO HB3 H 1 2.190 . . 2 . . . . 133 P HB2 . 16671 1 1123 . 1 1 99 99 PRO HD2 H 1 1.900 . . 2 . . . . 133 P HD1 . 16671 1 1124 . 1 1 99 99 PRO HD3 H 1 2.140 . . 2 . . . . 133 P HD2 . 16671 1 1125 . 1 1 99 99 PRO HG2 H 1 1.490 . . 2 . . . . 133 P HG1 . 16671 1 1126 . 1 1 99 99 PRO HG3 H 1 1.740 . . 2 . . . . 133 P HG2 . 16671 1 1127 . 1 1 99 99 PRO CA C 13 64.760 . . 1 . . . . 133 P CA . 16671 1 1128 . 1 1 99 99 PRO CB C 13 30.770 . . 1 . . . . 133 P CB . 16671 1 1129 . 1 1 99 99 PRO CD C 13 47.500 . . 1 . . . . 133 P CD . 16671 1 1130 . 1 1 99 99 PRO CG C 13 26.350 . . 1 . . . . 133 P CG . 16671 1 1131 . 1 1 100 100 SER H H 1 9.222 . . 1 . . . . 134 S HN . 16671 1 1132 . 1 1 100 100 SER HA H 1 4.140 . . 1 . . . . 134 S HA . 16671 1 1133 . 1 1 100 100 SER HB2 H 1 3.890 . . 2 . . . . 134 S HB1 . 16671 1 1134 . 1 1 100 100 SER HB3 H 1 3.890 . . 2 . . . . 134 S HB2 . 16671 1 1135 . 1 1 100 100 SER CA C 13 59.660 . . 1 . . . . 134 S CA . 16671 1 1136 . 1 1 100 100 SER CB C 13 61.320 . . 1 . . . . 134 S CB . 16671 1 1137 . 1 1 100 100 SER N N 15 115.005 . . 1 . . . . 134 S N . 16671 1 1138 . 1 1 101 101 LYS H H 1 7.867 . . 1 . . . . 135 K HN . 16671 1 1139 . 1 1 101 101 LYS HA H 1 4.470 . . 1 . . . . 135 K HA . 16671 1 1140 . 1 1 101 101 LYS HB2 H 1 1.530 . . 2 . . . . 135 K HB1 . 16671 1 1141 . 1 1 101 101 LYS HB3 H 1 1.970 . . 2 . . . . 135 K HB2 . 16671 1 1142 . 1 1 101 101 LYS HD2 H 1 1.405 . . 2 . . . . 135 K HD1 . 16671 1 1143 . 1 1 101 101 LYS HD3 H 1 1.508 . . 2 . . . . 135 K HD2 . 16671 1 1144 . 1 1 101 101 LYS HE2 H 1 3.045 . . 2 . . . . 135 K HE1 . 16671 1 1145 . 1 1 101 101 LYS HE3 H 1 2.730 . . 2 . . . . 135 K HE2 . 16671 1 1146 . 1 1 101 101 LYS HG2 H 1 1.110 . . 2 . . . . 135 K HG1 . 16671 1 1147 . 1 1 101 101 LYS HG3 H 1 1.420 . . 2 . . . . 135 K HG2 . 16671 1 1148 . 1 1 101 101 LYS CA C 13 52.490 . . 1 . . . . 135 K CA . 16671 1 1149 . 1 1 101 101 LYS CB C 13 30.600 . . 1 . . . . 135 K CB . 16671 1 1150 . 1 1 101 101 LYS CD C 13 26.600 . . 1 . . . . 135 K CD . 16671 1 1151 . 1 1 101 101 LYS CE C 13 40.700 . . 1 . . . . 135 K CE . 16671 1 1152 . 1 1 101 101 LYS CG C 13 23.760 . . 1 . . . . 135 K CG . 16671 1 1153 . 1 1 101 101 LYS N N 15 121.053 . . 1 . . . . 135 K N . 16671 1 1154 . 1 1 102 102 ARG H H 1 7.057 . . 1 . . . . 136 R HN . 16671 1 1155 . 1 1 102 102 ARG HA H 1 4.110 . . 1 . . . . 136 R HA . 16671 1 1156 . 1 1 102 102 ARG HB2 H 1 1.617 . . 2 . . . . 136 R HB1 . 16671 1 1157 . 1 1 102 102 ARG HB3 H 1 1.733 . . 2 . . . . 136 R HB2 . 16671 1 1158 . 1 1 102 102 ARG HD2 H 1 2.980 . . 2 . . . . 136 R HD1 . 16671 1 1159 . 1 1 102 102 ARG HD3 H 1 3.180 . . 2 . . . . 136 R HD2 . 16671 1 1160 . 1 1 102 102 ARG HG2 H 1 1.441 . . 2 . . . . 136 R HG1 . 16671 1 1161 . 1 1 102 102 ARG HG3 H 1 1.740 . . 2 . . . . 136 R HG2 . 16671 1 1162 . 1 1 102 102 ARG HH11 H 1 6.400 . . 1 . . . . 136 R HH11 . 16671 1 1163 . 1 1 102 102 ARG HH12 H 1 7.160 . . 1 . . . . 136 R HH12 . 16671 1 1164 . 1 1 102 102 ARG HH21 H 1 6.300 . . 1 . . . . 136 R HH21 . 16671 1 1165 . 1 1 102 102 ARG HH22 H 1 7.160 . . 1 . . . . 136 R HH22 . 16671 1 1166 . 1 1 102 102 ARG CA C 13 55.440 . . 1 . . . . 136 R CA . 16671 1 1167 . 1 1 102 102 ARG CB C 13 29.100 . . 1 . . . . 136 R CB . 16671 1 1168 . 1 1 102 102 ARG CD C 13 42.600 . . 1 . . . . 136 R CD . 16671 1 1169 . 1 1 102 102 ARG CG C 13 26.100 . . 1 . . . . 136 R CG . 16671 1 1170 . 1 1 102 102 ARG N N 15 121.944 . . 1 . . . . 136 R N . 16671 1 1171 . 1 1 103 103 ARG H H 1 8.289 . . 1 . . . . 137 R HN . 16671 1 1172 . 1 1 103 103 ARG HA H 1 4.274 . . 1 . . . . 137 R HA . 16671 1 1173 . 1 1 103 103 ARG HB2 H 1 1.686 . . 2 . . . . 137 R HB1 . 16671 1 1174 . 1 1 103 103 ARG HB3 H 1 1.756 . . 2 . . . . 137 R HB2 . 16671 1 1175 . 1 1 103 103 ARG HD2 H 1 2.960 . . 2 . . . . 137 R HD1 . 16671 1 1176 . 1 1 103 103 ARG HD3 H 1 3.150 . . 2 . . . . 137 R HD2 . 16671 1 1177 . 1 1 103 103 ARG HG2 H 1 1.520 . . 2 . . . . 137 R HG1 . 16671 1 1178 . 1 1 103 103 ARG HG3 H 1 1.580 . . 2 . . . . 137 R HG2 . 16671 1 1179 . 1 1 103 103 ARG HH11 H 1 6.400 . . 1 . . . . 137 R HH11 . 16671 1 1180 . 1 1 103 103 ARG HH12 H 1 7.160 . . 1 . . . . 137 R HH12 . 16671 1 1181 . 1 1 103 103 ARG HH21 H 1 6.400 . . 1 . . . . 137 R HH21 . 16671 1 1182 . 1 1 103 103 ARG HH22 H 1 7.160 . . 1 . . . . 137 R HH22 . 16671 1 1183 . 1 1 103 103 ARG CA C 13 54.100 . . 1 . . . . 137 R CA . 16671 1 1184 . 1 1 103 103 ARG CB C 13 29.700 . . 1 . . . . 137 R CB . 16671 1 1185 . 1 1 103 103 ARG CD C 13 41.800 . . 1 . . . . 137 R CD . 16671 1 1186 . 1 1 103 103 ARG CG C 13 25.700 . . 1 . . . . 137 R CG . 16671 1 1187 . 1 1 103 103 ARG N N 15 123.504 . . 1 . . . . 137 R N . 16671 1 1188 . 1 1 104 104 HIS H H 1 8.370 . . 1 . . . . 138 H HN . 16671 1 1189 . 1 1 104 104 HIS HA H 1 4.662 . . 1 . . . . 138 H HA . 16671 1 1190 . 1 1 104 104 HIS HB2 H 1 3.110 . . 2 . . . . 138 H HB1 . 16671 1 1191 . 1 1 104 104 HIS HB3 H 1 3.180 . . 2 . . . . 138 H HB2 . 16671 1 1192 . 1 1 104 104 HIS HD2 H 1 7.130 . . 3 . . . . 138 H HD2 . 16671 1 1193 . 1 1 104 104 HIS CA C 13 54.110 . . 1 . . . . 138 H CA . 16671 1 1194 . 1 1 104 104 HIS CB C 13 28.730 . . 1 . . . . 138 H CB . 16671 1 1195 . 1 1 104 104 HIS CD2 C 13 117.000 . . 1 . . . . 138 H CD2 . 16671 1 1196 . 1 1 105 105 GLU H H 1 8.131 . . 1 . . . . 139 E HN . 16671 1 1197 . 1 1 105 105 GLU HA H 1 4.117 . . 1 . . . . 139 E HA . 16671 1 1198 . 1 1 105 105 GLU HB2 H 1 1.860 . . 2 . . . . 139 E HB1 . 16671 1 1199 . 1 1 105 105 GLU HB3 H 1 2.044 . . 2 . . . . 139 E HB2 . 16671 1 1200 . 1 1 105 105 GLU HG2 H 1 2.163 . . 2 . . . . 139 E HG1 . 16671 1 1201 . 1 1 105 105 GLU HG3 H 1 2.163 . . 2 . . . . 139 E HG2 . 16671 1 1202 . 1 1 105 105 GLU CA C 13 56.630 . . 1 . . . . 139 E CA . 16671 1 1203 . 1 1 105 105 GLU CB C 13 29.712 . . 1 . . . . 139 E CB . 16671 1 1204 . 1 1 105 105 GLU CG C 13 35.200 . . 1 . . . . 139 E CG . 16671 1 1205 . 1 1 105 105 GLU N N 15 129.300 . . 1 . . . . 139 E N . 16671 1 1206 . 2 2 1 1 LEU HA H 1 3.966 . . 1 . . . . 143 L HA . 16671 1 1207 . 2 2 1 1 LEU HB2 H 1 1.640 . . 2 . . . . 143 L HB1 . 16671 1 1208 . 2 2 1 1 LEU HB3 H 1 1.710 . . 2 . . . . 143 L HB2 . 16671 1 1209 . 2 2 1 1 LEU HD11 H 1 0.944 . . 2 . . . . 143 L HD11 . 16671 1 1210 . 2 2 1 1 LEU HD12 H 1 0.944 . . 2 . . . . 143 L HD11 . 16671 1 1211 . 2 2 1 1 LEU HD13 H 1 0.944 . . 2 . . . . 143 L HD11 . 16671 1 1212 . 2 2 1 1 LEU HD21 H 1 0.926 . . 2 . . . . 143 L HD21 . 16671 1 1213 . 2 2 1 1 LEU HD22 H 1 0.926 . . 2 . . . . 143 L HD21 . 16671 1 1214 . 2 2 1 1 LEU HD23 H 1 0.926 . . 2 . . . . 143 L HD21 . 16671 1 1215 . 2 2 1 1 LEU HG H 1 1.645 . . 1 . . . . 143 L HG . 16671 1 1216 . 2 2 3 3 SER HA H 1 4.650 . . 1 . . . . 145 S HA . 16671 1 1217 . 2 2 3 3 SER HB2 H 1 3.800 . . 2 . . . . 145 S HB2 . 16671 1 1218 . 2 2 4 4 LYS H H 1 8.390 . . 1 . . . . 146 K HN . 16671 1 1219 . 2 2 4 4 LYS HA H 1 4.440 . . 1 . . . . 146 K HA . 16671 1 1220 . 2 2 4 4 LYS HB2 H 1 1.735 . . 2 . . . . 146 K HB2 . 16671 1 1221 . 2 2 4 4 LYS HD2 H 1 1.680 . . 2 . . . . 146 K HD2 . 16671 1 1222 . 2 2 4 4 LYS HE2 H 1 2.980 . . 2 . . . . 146 K HE2 . 16671 1 1223 . 2 2 4 4 LYS HG2 H 1 1.425 . . 2 . . . . 146 K HG2 . 16671 1 1224 . 2 2 5 5 PRO HA H 1 4.420 . . 1 . . . . 147 P HA . 16671 1 1225 . 2 2 5 5 PRO HB2 H 1 1.870 . . 2 . . . . 147 P HB1 . 16671 1 1226 . 2 2 5 5 PRO HB3 H 1 2.260 . . 2 . . . . 147 P HB2 . 16671 1 1227 . 2 2 5 5 PRO HD2 H 1 3.800 . . 2 . . . . 147 P HD1 . 16671 1 1228 . 2 2 5 5 PRO HD3 H 1 3.840 . . 2 . . . . 147 P HD2 . 16671 1 1229 . 2 2 5 5 PRO HG2 H 1 2.020 . . 2 . . . . 147 P HG1 . 16671 1 1230 . 2 2 5 5 PRO HG3 H 1 2.020 . . 2 . . . . 147 P HG2 . 16671 1 1231 . 2 2 6 6 TYR HA H 1 4.410 . . 1 . . . . 148 Y HA . 16671 1 1232 . 2 2 6 6 TYR HB2 H 1 2.811 . . 2 . . . . 148 Y HB1 . 16671 1 1233 . 2 2 6 6 TYR HB3 H 1 3.089 . . 2 . . . . 148 Y HB2 . 16671 1 1234 . 2 2 6 6 TYR HD1 H 1 7.100 . . 3 . . . . 148 Y HD1 . 16671 1 1235 . 2 2 6 6 TYR HD2 H 1 7.100 . . 3 . . . . 148 Y HD2 . 16671 1 1236 . 2 2 6 6 TYR HE1 H 1 6.720 . . 3 . . . . 148 Y HE1 . 16671 1 1237 . 2 2 6 6 TYR HE2 H 1 6.720 . . 3 . . . . 148 Y HE2 . 16671 1 1238 . 2 2 7 7 ASN HB2 H 1 2.570 . . 2 . . . . 149 N HB1 . 16671 1 1239 . 2 2 7 7 ASN HB3 H 1 2.760 . . 2 . . . . 149 N HB2 . 16671 1 1240 . 2 2 7 7 ASN HD21 H 1 7.690 . . 2 . . . . 149 N HD21 . 16671 1 1241 . 2 2 7 7 ASN HD22 H 1 7.031 . . 2 . . . . 149 N HD22 . 16671 1 1242 . 2 2 8 8 PRO HA H 1 4.640 . . 1 . . . . 150 P HA . 16671 1 1243 . 2 2 8 8 PRO HB2 H 1 1.470 . . 2 . . . . 150 P HB1 . 16671 1 1244 . 2 2 8 8 PRO HB3 H 1 1.710 . . 2 . . . . 150 P HB2 . 16671 1 1245 . 2 2 8 8 PRO HD2 H 1 3.640 . . 2 . . . . 150 P HD1 . 16671 1 1246 . 2 2 8 8 PRO HD3 H 1 3.840 . . 2 . . . . 150 P HD2 . 16671 1 1247 . 2 2 8 8 PRO HG2 H 1 2.005 . . 2 . . . . 150 P HG1 . 16671 1 1248 . 2 2 8 8 PRO HG3 H 1 1.830 . . 2 . . . . 150 P HG2 . 16671 1 1249 . 2 2 9 9 PHE HA H 1 4.440 . . 1 . . . . 151 F HA . 16671 1 1250 . 2 2 9 9 PHE HB2 H 1 2.840 . . 2 . . . . 151 F HB1 . 16671 1 1251 . 2 2 9 9 PHE HB3 H 1 3.220 . . 2 . . . . 151 F HB2 . 16671 1 1252 . 2 2 9 9 PHE HD1 H 1 7.230 . . 3 . . . . 151 F HD1 . 16671 1 1253 . 2 2 9 9 PHE HD2 H 1 7.230 . . 3 . . . . 151 F HD2 . 16671 1 1254 . 2 2 9 9 PHE HE1 H 1 7.300 . . 3 . . . . 151 F HE1 . 16671 1 1255 . 2 2 9 9 PHE HE2 H 1 7.300 . . 3 . . . . 151 F HE2 . 16671 1 1256 . 2 2 9 9 PHE HZ H 1 7.260 . . 1 . . . . 151 F HZ . 16671 1 1257 . 2 2 10 10 GLU H H 1 7.850 . . 1 . . . . 152 E HN . 16671 1 1258 . 2 2 10 10 GLU HA H 1 4.220 . . 1 . . . . 152 E HA . 16671 1 1259 . 2 2 10 10 GLU HB2 H 1 1.860 . . 2 . . . . 152 E HB1 . 16671 1 1260 . 2 2 10 10 GLU HB3 H 1 2.170 . . 2 . . . . 152 E HB2 . 16671 1 1261 . 2 2 10 10 GLU HG2 H 1 2.020 . . 2 . . . . 152 E HG1 . 16671 1 1262 . 2 2 10 10 GLU HG3 H 1 2.020 . . 2 . . . . 152 E HG2 . 16671 1 1263 . 2 2 12 12 GLU H H 1 8.440 . . 1 . . . . 154 E HN . 16671 1 1264 . 2 2 12 12 GLU HA H 1 4.270 . . 1 . . . . 154 E HA . 16671 1 1265 . 2 2 12 12 GLU HB2 H 1 1.880 . . 2 . . . . 154 E HB1 . 16671 1 1266 . 2 2 12 12 GLU HB3 H 1 2.020 . . 2 . . . . 154 E HB2 . 16671 1 1267 . 2 2 12 12 GLU HG2 H 1 2.240 . . 2 . . . . 154 E HG1 . 16671 1 1268 . 2 2 12 12 GLU HG3 H 1 2.240 . . 2 . . . . 154 E HG2 . 16671 1 1269 . 2 2 13 13 GLU H H 1 8.400 . . 1 . . . . 155 E HN . 16671 1 1270 . 2 2 13 13 GLU HA H 1 4.250 . . 1 . . . . 155 E HA . 16671 1 1271 . 2 2 13 13 GLU HB2 H 1 1.870 . . 2 . . . . 155 E HB1 . 16671 1 1272 . 2 2 13 13 GLU HB3 H 1 2.010 . . 2 . . . . 155 E HB2 . 16671 1 1273 . 2 2 13 13 GLU HG2 H 1 2.220 . . 2 . . . . 155 E HG1 . 16671 1 1274 . 2 2 13 13 GLU HG3 H 1 2.220 . . 2 . . . . 155 E HG2 . 16671 1 1275 . 2 2 14 14 GLU HA H 1 4.250 . . 1 . . . . 156 E HA . 16671 1 1276 . 2 2 14 14 GLU HB2 H 1 2.048 . . 2 . . . . 156 E HB2 . 16671 1 1277 . 2 2 15 15 ASP H H 1 8.068 . . 1 . . . . 157 D HN . 16671 1 1278 . 2 2 15 15 ASP HA H 1 4.330 . . 1 . . . . 157 D HA . 16671 1 1279 . 2 2 15 15 ASP HB2 H 1 2.550 . . 2 . . . . 157 D HB1 . 16671 1 1280 . 2 2 15 15 ASP HB3 H 1 2.550 . . 2 . . . . 157 D HB2 . 16671 1 stop_ save_