data_16181 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16181 _Entry.Title ; Structure of the C-terminal domain of EHD1 with FNYESTGPFTAK ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-20 _Entry.Accession_date 2009-02-20 _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 . . . 16181 2 Marko JOVIC . . . 16181 3 Marco TONELLI . . . 16181 4 Naava NASLAVSKY . . . 16181 5 Steve CAPLAN . . . 16181 6 Paul SORGEN . . . 16181 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' . 16181 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EHD1 . 16181 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16181 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 365 16181 '15N chemical shifts' 91 16181 '1H chemical shifts' 813 16181 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 6 . . 2015-04-09 2009-02-20 update BMRB 'update ligand' 16181 5 . . 2010-06-02 2009-02-20 update BMRB 'edit assembly name' 16181 4 . . 2010-05-20 2009-02-20 update BMRB 'update residue 7 of peptide' 16181 3 . . 2010-01-21 2009-02-20 update BMRB 'complete entry citation' 16181 2 . . 2010-01-06 2009-02-20 update BMRB 'correct pressure' 16181 1 . . 2009-10-16 2009-02-20 original author 'original release' 16181 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16179 'C-terminal domain of EHD1 in complex with FNYESTNPFTAK' 16181 BMRB 16180 'C-terminal domain of EHD1 in complex with FNYESTNPFTAK' 16181 PDB 2KFH 'BMRB Entry Tracking System' 16181 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16181 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19798736 _Citation.Full_citation . _Citation.Title ; Structural insight into the interaction of proteins containing NPF, DPF, and GPF motifs with the C-terminal EH-domain of EHD1. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full 'Protein science : a publication of the Protein Society' _Citation.Journal_volume 18 _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 2471 _Citation.Page_last 2479 _Citation.Year 2009 _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 . . . 16181 1 2 Marko Jovic . . . 16181 1 3 Marco Tonelli . . . 16181 1 4 Naava Naslavsky . . . 16181 1 5 Steve Caplan . . . 16181 1 6 Paul Sorgen . L. . 16181 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16181 _Assembly.ID 1 _Assembly.Name 'EHD1 with FNYESTGPFTAK' _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 entity_1 1 $EH_domain_of_EHD1 A . yes native no no . . . 16181 1 2 entity_2 2 $Rab11-FIP2_GPF_peptide B . yes native no no . . . 16181 1 3 CA2 3 $entity_CA C . no native no no . . . 16181 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 16181 _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 . . . . 16181 1 2 no BMRB 16179 . EH_domain_of_EHD1 . . . . . 100.00 105 100.00 100.00 2.43e-67 . . . . 16181 1 3 no BMRB 16180 . EH_domain_of_EHD1 . . . . . 100.00 105 100.00 100.00 2.43e-67 . . . . 16181 1 4 no BMRB 16671 . EH_domain_of_EHD1 . . . . . 100.00 105 100.00 100.00 2.43e-67 . . . . 16181 1 5 no PDB 2JQ6 . "Structure Of Eh-Domain Of Ehd1" . . . . . 97.14 139 99.02 99.02 8.77e-64 . . . . 16181 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 . . . . 16181 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 . . . . 16181 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 . . . . 16181 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 . . . . 16181 1 10 no DBJ BAB28540 . "unnamed protein product [Mus musculus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16181 1 11 no DBJ BAC40684 . "unnamed protein product [Mus musculus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16181 1 12 no DBJ BAE32742 . "unnamed protein product [Mus musculus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16181 1 13 no DBJ BAE35499 . "unnamed protein product [Mus musculus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16181 1 14 no DBJ BAE35852 . "unnamed protein product [Mus musculus]" . . . . . 97.14 534 98.04 99.02 7.81e-61 . . . . 16181 1 15 no EMBL CAH90816 . "hypothetical protein [Pongo abelii]" . . . . . 97.14 534 99.02 99.02 6.01e-61 . . . . 16181 1 16 no GB AAB81204 . "Hpast [Homo sapiens]" . . . . . 97.14 534 98.04 98.04 6.07e-60 . . . . 16181 1 17 no GB AAD45423 . "EH domain-containing protein EHD1 [Mus musculus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16181 1 18 no GB AAF24223 . "MPAST1 [Mus musculus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16181 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 . . . . 16181 1 20 no GB AAH37094 . "EH-domain containing 1, partial [Mus musculus]" . . . . . 97.14 556 98.04 99.02 1.28e-60 . . . . 16181 1 21 no REF NP_001011939 . "EH domain-containing protein 1 [Rattus norvegicus]" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16181 1 22 no REF NP_001015578 . "EH domain-containing protein 1 [Bos taurus]" . . . . . 97.14 534 98.04 99.02 1.11e-60 . . . . 16181 1 23 no REF NP_001125465 . "EH domain-containing protein 1 [Pongo abelii]" . . . . . 97.14 534 99.02 99.02 6.01e-61 . . . . 16181 1 24 no REF NP_001162473 . "EH domain-containing protein 1 [Papio anubis]" . . . . . 97.14 534 99.02 99.02 6.01e-61 . . . . 16181 1 25 no REF NP_001248124 . "EH domain-containing protein 1 [Macaca mulatta]" . . . . . 97.14 534 99.02 99.02 6.01e-61 . . . . 16181 1 26 no SP Q5E9R3 . "RecName: Full=EH domain-containing protein 1" . . . . . 97.14 534 98.04 99.02 1.11e-60 . . . . 16181 1 27 no SP Q5RBP4 . "RecName: Full=EH domain-containing protein 1" . . . . . 97.14 534 99.02 99.02 6.01e-61 . . . . 16181 1 28 no SP Q641Z6 . "RecName: Full=EH domain-containing protein 1" . . . . . 97.14 534 98.04 99.02 8.77e-61 . . . . 16181 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 . . . . 16181 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 . . . . 16181 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 . 16181 1 2 36 PRO . 16181 1 3 37 LEU . 16181 1 4 38 GLY . 16181 1 5 39 SER . 16181 1 6 40 ASP . 16181 1 7 41 ASP . 16181 1 8 42 VAL . 16181 1 9 43 GLU . 16181 1 10 44 TRP . 16181 1 11 45 VAL . 16181 1 12 46 VAL . 16181 1 13 47 GLY . 16181 1 14 48 LYS . 16181 1 15 49 ASP . 16181 1 16 50 LYS . 16181 1 17 51 PRO . 16181 1 18 52 THR . 16181 1 19 53 TYR . 16181 1 20 54 ASP . 16181 1 21 55 GLU . 16181 1 22 56 ILE . 16181 1 23 57 PHE . 16181 1 24 58 TYR . 16181 1 25 59 THR . 16181 1 26 60 LEU . 16181 1 27 61 SER . 16181 1 28 62 PRO . 16181 1 29 63 VAL . 16181 1 30 64 ASN . 16181 1 31 65 GLY . 16181 1 32 66 LYS . 16181 1 33 67 ILE . 16181 1 34 68 THR . 16181 1 35 69 GLY . 16181 1 36 70 ALA . 16181 1 37 71 ASN . 16181 1 38 72 ALA . 16181 1 39 73 LYS . 16181 1 40 74 LYS . 16181 1 41 75 GLU . 16181 1 42 76 MET . 16181 1 43 77 VAL . 16181 1 44 78 LYS . 16181 1 45 79 SER . 16181 1 46 80 LYS . 16181 1 47 81 LEU . 16181 1 48 82 PRO . 16181 1 49 83 ASN . 16181 1 50 84 THR . 16181 1 51 85 VAL . 16181 1 52 86 LEU . 16181 1 53 87 GLY . 16181 1 54 88 LYS . 16181 1 55 89 ILE . 16181 1 56 90 TRP . 16181 1 57 91 LYS . 16181 1 58 92 LEU . 16181 1 59 93 ALA . 16181 1 60 94 ASP . 16181 1 61 95 VAL . 16181 1 62 96 ASP . 16181 1 63 97 LYS . 16181 1 64 98 ASP . 16181 1 65 99 GLY . 16181 1 66 100 LEU . 16181 1 67 101 LEU . 16181 1 68 102 ASP . 16181 1 69 103 ASP . 16181 1 70 104 GLU . 16181 1 71 105 GLU . 16181 1 72 106 PHE . 16181 1 73 107 ALA . 16181 1 74 108 LEU . 16181 1 75 109 ALA . 16181 1 76 110 ASN . 16181 1 77 111 HIS . 16181 1 78 112 LEU . 16181 1 79 113 ILE . 16181 1 80 114 LYS . 16181 1 81 115 VAL . 16181 1 82 116 LYS . 16181 1 83 117 LEU . 16181 1 84 118 GLU . 16181 1 85 119 GLY . 16181 1 86 120 HIS . 16181 1 87 121 GLU . 16181 1 88 122 LEU . 16181 1 89 123 PRO . 16181 1 90 124 ALA . 16181 1 91 125 ASP . 16181 1 92 126 LEU . 16181 1 93 127 PRO . 16181 1 94 128 PRO . 16181 1 95 129 HIS . 16181 1 96 130 LEU . 16181 1 97 131 VAL . 16181 1 98 132 PRO . 16181 1 99 133 PRO . 16181 1 100 134 SER . 16181 1 101 135 LYS . 16181 1 102 136 ARG . 16181 1 103 137 ARG . 16181 1 104 138 HIS . 16181 1 105 139 GLU . 16181 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 16181 1 . PRO 2 2 16181 1 . LEU 3 3 16181 1 . GLY 4 4 16181 1 . SER 5 5 16181 1 . ASP 6 6 16181 1 . ASP 7 7 16181 1 . VAL 8 8 16181 1 . GLU 9 9 16181 1 . TRP 10 10 16181 1 . VAL 11 11 16181 1 . VAL 12 12 16181 1 . GLY 13 13 16181 1 . LYS 14 14 16181 1 . ASP 15 15 16181 1 . LYS 16 16 16181 1 . PRO 17 17 16181 1 . THR 18 18 16181 1 . TYR 19 19 16181 1 . ASP 20 20 16181 1 . GLU 21 21 16181 1 . ILE 22 22 16181 1 . PHE 23 23 16181 1 . TYR 24 24 16181 1 . THR 25 25 16181 1 . LEU 26 26 16181 1 . SER 27 27 16181 1 . PRO 28 28 16181 1 . VAL 29 29 16181 1 . ASN 30 30 16181 1 . GLY 31 31 16181 1 . LYS 32 32 16181 1 . ILE 33 33 16181 1 . THR 34 34 16181 1 . GLY 35 35 16181 1 . ALA 36 36 16181 1 . ASN 37 37 16181 1 . ALA 38 38 16181 1 . LYS 39 39 16181 1 . LYS 40 40 16181 1 . GLU 41 41 16181 1 . MET 42 42 16181 1 . VAL 43 43 16181 1 . LYS 44 44 16181 1 . SER 45 45 16181 1 . LYS 46 46 16181 1 . LEU 47 47 16181 1 . PRO 48 48 16181 1 . ASN 49 49 16181 1 . THR 50 50 16181 1 . VAL 51 51 16181 1 . LEU 52 52 16181 1 . GLY 53 53 16181 1 . LYS 54 54 16181 1 . ILE 55 55 16181 1 . TRP 56 56 16181 1 . LYS 57 57 16181 1 . LEU 58 58 16181 1 . ALA 59 59 16181 1 . ASP 60 60 16181 1 . VAL 61 61 16181 1 . ASP 62 62 16181 1 . LYS 63 63 16181 1 . ASP 64 64 16181 1 . GLY 65 65 16181 1 . LEU 66 66 16181 1 . LEU 67 67 16181 1 . ASP 68 68 16181 1 . ASP 69 69 16181 1 . GLU 70 70 16181 1 . GLU 71 71 16181 1 . PHE 72 72 16181 1 . ALA 73 73 16181 1 . LEU 74 74 16181 1 . ALA 75 75 16181 1 . ASN 76 76 16181 1 . HIS 77 77 16181 1 . LEU 78 78 16181 1 . ILE 79 79 16181 1 . LYS 80 80 16181 1 . VAL 81 81 16181 1 . LYS 82 82 16181 1 . LEU 83 83 16181 1 . GLU 84 84 16181 1 . GLY 85 85 16181 1 . HIS 86 86 16181 1 . GLU 87 87 16181 1 . LEU 88 88 16181 1 . PRO 89 89 16181 1 . ALA 90 90 16181 1 . ASP 91 91 16181 1 . LEU 92 92 16181 1 . PRO 93 93 16181 1 . PRO 94 94 16181 1 . HIS 95 95 16181 1 . LEU 96 96 16181 1 . VAL 97 97 16181 1 . PRO 98 98 16181 1 . PRO 99 99 16181 1 . SER 100 100 16181 1 . LYS 101 101 16181 1 . ARG 102 102 16181 1 . ARG 103 103 16181 1 . HIS 104 104 16181 1 . GLU 105 105 16181 1 stop_ save_ save_Rab11-FIP2_GPF_peptide _Entity.Sf_category entity _Entity.Sf_framecode Rab11-FIP2_GPF_peptide _Entity.Entry_ID 16181 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Rab11-FIP2_GPF_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 ; FNYESTGPFTAK ; _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 12 _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 PHE . 16181 2 2 144 ASN . 16181 2 3 145 TYR . 16181 2 4 146 GLU . 16181 2 5 147 SER . 16181 2 6 148 THR . 16181 2 7 149 GLY . 16181 2 8 150 PRO . 16181 2 9 151 PHE . 16181 2 10 152 THR . 16181 2 11 153 ALA . 16181 2 12 154 LYS . 16181 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 . PHE 1 1 16181 2 . ASN 2 2 16181 2 . TYR 3 3 16181 2 . GLU 4 4 16181 2 . SER 5 5 16181 2 . THR 6 6 16181 2 . GLY 7 7 16181 2 . PRO 8 8 16181 2 . PHE 9 9 16181 2 . THR 10 10 16181 2 . ALA 11 11 16181 2 . LYS 12 12 16181 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 16181 _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 16181 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 16181 3 CA 'Three letter code' 16181 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 16181 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 16181 _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 . . . . . . . . . . . . . 16181 1 2 2 $Rab11-FIP2_GPF_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 16181 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 16181 _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 . . . 16181 1 2 2 $Rab11-FIP2_GPF_peptide . 'obtained from a vendor' . . . . . . . . . . . . . . . . 16181 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 16181 _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 16181 CA InChI=1S/Ca/q+2 InChI InChI 1.03 16181 CA [Ca++] SMILES CACTVS 3.341 16181 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 16181 CA [Ca+2] SMILES ACDLabs 10.04 16181 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 16181 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16181 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 16181 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16181 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 . 16181 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16181 _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 . . . . 16181 1 2 'Rab11-FIP2 GPF peptide' 'natural abundance' . . 2 $Rab11-FIP2_GPF_peptide . . 3 . . mM . . . . 16181 1 3 H20 'natural abundance' . . . . . . 90 . . % . . . . 16181 1 4 D20 'natural abundance' . . . . . . 10 . . % . . . . 16181 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 16181 _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 16181 1 pressure 1.0 . atm 16181 1 temperature 298 . K 16181 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16181 _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' . . 16181 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16181 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16181 _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' . . 16181 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16181 2 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16181 _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' . . 16181 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16181 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 16181 _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 . . 16181 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16181 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 16181 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16181 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryoprobe' _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 16181 _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 . . . 16181 1 2 spectrometer_2 Varian INOVA . 600 . . . 16181 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 16181 _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 . . . . . . . . . . . . . . . . 16181 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16181 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16181 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16181 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16181 1 6 '2D 13CFiltered-13CfilteredNOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16181 1 7 '2D 13C-filtered-13C editedNOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16181 1 8 '2D 13C-filtered-15N editedNOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16181 1 9 '2D 15N filtered Noesy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16181 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 16181 _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 16181 1 H 1 water protons . . . . ppm 4.758 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16181 1 N 15 water protons . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16181 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 16181 _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' 1 . . 16181 1 5 '3D 1H-13C NOESY' 1 . . 16181 1 6 '2D 13CFiltered-13CfilteredNOESY' 1 . . 16181 1 8 '2D 13C-filtered-15N editedNOESY' 1 . . 16181 1 9 '2D 15N filtered Noesy' 1 . . 16181 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 . . 16181 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 ASP H H 1 8.479 . . 1 . . . . 41 ASP HN . 16181 1 2 . 1 1 7 7 ASP HA H 1 4.595 . . 1 . . . . 41 ASP HA . 16181 1 3 . 1 1 7 7 ASP HB2 H 1 2.595 . . 2 . . . . 41 ASP HB1 . 16181 1 4 . 1 1 7 7 ASP HB3 H 1 2.658 . . 2 . . . . 41 ASP HB2 . 16181 1 5 . 1 1 7 7 ASP CA C 13 52.900 . . 1 . . . . 41 ASP CA . 16181 1 6 . 1 1 7 7 ASP CB C 13 39.760 . . 1 . . . . 41 ASP CB . 16181 1 7 . 1 1 7 7 ASP N N 15 124.447 . . 1 . . . . 41 ASP N . 16181 1 8 . 1 1 8 8 VAL H H 1 7.916 . . 1 . . . . 42 VAL HN . 16181 1 9 . 1 1 8 8 VAL HA H 1 4.140 . . 1 . . . . 42 VAL HA . 16181 1 10 . 1 1 8 8 VAL HB H 1 2.093 . . 1 . . . . 42 VAL HB . 16181 1 11 . 1 1 8 8 VAL HG11 H 1 0.911 . . 2 . . . . 42 VAL HG11 . 16181 1 12 . 1 1 8 8 VAL HG12 H 1 0.911 . . 2 . . . . 42 VAL HG11 . 16181 1 13 . 1 1 8 8 VAL HG13 H 1 0.911 . . 2 . . . . 42 VAL HG11 . 16181 1 14 . 1 1 8 8 VAL HG21 H 1 0.915 . . 2 . . . . 42 VAL HG21 . 16181 1 15 . 1 1 8 8 VAL HG22 H 1 0.915 . . 2 . . . . 42 VAL HG21 . 16181 1 16 . 1 1 8 8 VAL HG23 H 1 0.915 . . 2 . . . . 42 VAL HG21 . 16181 1 17 . 1 1 8 8 VAL CA C 13 60.610 . . 1 . . . . 42 VAL CA . 16181 1 18 . 1 1 8 8 VAL CB C 13 32.160 . . 1 . . . . 42 VAL CB . 16181 1 19 . 1 1 8 8 VAL CG1 C 13 20.460 . . 1 . . . . 42 VAL CG1 . 16181 1 20 . 1 1 8 8 VAL CG2 C 13 19.700 . . 1 . . . . 42 VAL CG2 . 16181 1 21 . 1 1 8 8 VAL N N 15 120.853 . . 1 . . . . 42 VAL N . 16181 1 22 . 1 1 9 9 GLU H H 1 8.476 . . 1 . . . . 43 GLU HN . 16181 1 23 . 1 1 9 9 GLU HA H 1 4.290 . . 1 . . . . 43 GLU HA . 16181 1 24 . 1 1 9 9 GLU HB2 H 1 2.010 . . 2 . . . . 43 GLU HB1 . 16181 1 25 . 1 1 9 9 GLU HB3 H 1 2.010 . . 2 . . . . 43 GLU HB2 . 16181 1 26 . 1 1 9 9 GLU HG2 H 1 2.270 . . 2 . . . . 43 GLU HG1 . 16181 1 27 . 1 1 9 9 GLU HG3 H 1 2.380 . . 2 . . . . 43 GLU HG2 . 16181 1 28 . 1 1 9 9 GLU CA C 13 55.500 . . 1 . . . . 43 GLU CA . 16181 1 29 . 1 1 9 9 GLU CB C 13 29.400 . . 1 . . . . 43 GLU CB . 16181 1 30 . 1 1 9 9 GLU CG C 13 35.800 . . 1 . . . . 43 GLU CG . 16181 1 31 . 1 1 9 9 GLU N N 15 127.650 . . 1 . . . . 43 GLU N . 16181 1 32 . 1 1 10 10 TRP H H 1 8.839 . . 1 . . . . 44 TRP HN . 16181 1 33 . 1 1 10 10 TRP HA H 1 5.220 . . 1 . . . . 44 TRP HA . 16181 1 34 . 1 1 10 10 TRP HB2 H 1 2.860 . . 2 . . . . 44 TRP HB1 . 16181 1 35 . 1 1 10 10 TRP HB3 H 1 3.530 . . 2 . . . . 44 TRP HB2 . 16181 1 36 . 1 1 10 10 TRP HD1 H 1 7.490 . . 1 . . . . 44 TRP HD1 . 16181 1 37 . 1 1 10 10 TRP HE1 H 1 9.320 . . 3 . . . . 44 TRP HE1 . 16181 1 38 . 1 1 10 10 TRP HE3 H 1 7.690 . . 3 . . . . 44 TRP HE3 . 16181 1 39 . 1 1 10 10 TRP HH2 H 1 7.330 . . 1 . . . . 44 TRP HH2 . 16181 1 40 . 1 1 10 10 TRP HZ2 H 1 7.240 . . 3 . . . . 44 TRP HZ2 . 16181 1 41 . 1 1 10 10 TRP HZ3 H 1 7.100 . . 3 . . . . 44 TRP HZ3 . 16181 1 42 . 1 1 10 10 TRP CA C 13 54.040 . . 1 . . . . 44 TRP CA . 16181 1 43 . 1 1 10 10 TRP CB C 13 27.800 . . 1 . . . . 44 TRP CB . 16181 1 44 . 1 1 10 10 TRP CD1 C 13 123.640 . . 3 . . . . 44 TRP CD1 . 16181 1 45 . 1 1 10 10 TRP CE3 C 13 119.000 . . 3 . . . . 44 TRP CE3 . 16181 1 46 . 1 1 10 10 TRP CH2 C 13 121.520 . . 1 . . . . 44 TRP CH2 . 16181 1 47 . 1 1 10 10 TRP CZ2 C 13 109.600 . . 3 . . . . 44 TRP CZ2 . 16181 1 48 . 1 1 10 10 TRP CZ3 C 13 118.300 . . 3 . . . . 44 TRP CZ3 . 16181 1 49 . 1 1 10 10 TRP N N 15 126.378 . . 1 . . . . 44 TRP N . 16181 1 50 . 1 1 11 11 VAL H H 1 9.230 . . 1 . . . . 45 VAL HN . 16181 1 51 . 1 1 11 11 VAL HA H 1 3.891 . . 1 . . . . 45 VAL HA . 16181 1 52 . 1 1 11 11 VAL HB H 1 2.141 . . 1 . . . . 45 VAL HB . 16181 1 53 . 1 1 11 11 VAL HG11 H 1 0.840 . . 2 . . . . 45 VAL HG11 . 16181 1 54 . 1 1 11 11 VAL HG12 H 1 0.840 . . 2 . . . . 45 VAL HG11 . 16181 1 55 . 1 1 11 11 VAL HG13 H 1 0.840 . . 2 . . . . 45 VAL HG11 . 16181 1 56 . 1 1 11 11 VAL HG21 H 1 0.830 . . 2 . . . . 45 VAL HG21 . 16181 1 57 . 1 1 11 11 VAL HG22 H 1 0.830 . . 2 . . . . 45 VAL HG21 . 16181 1 58 . 1 1 11 11 VAL HG23 H 1 0.830 . . 2 . . . . 45 VAL HG21 . 16181 1 59 . 1 1 11 11 VAL CA C 13 63.530 . . 1 . . . . 45 VAL CA . 16181 1 60 . 1 1 11 11 VAL CB C 13 30.700 . . 1 . . . . 45 VAL CB . 16181 1 61 . 1 1 11 11 VAL CG1 C 13 19.030 . . 1 . . . . 45 VAL CG1 . 16181 1 62 . 1 1 11 11 VAL CG2 C 13 19.760 . . 1 . . . . 45 VAL CG2 . 16181 1 63 . 1 1 11 11 VAL N N 15 131.353 . . 1 . . . . 45 VAL N . 16181 1 64 . 1 1 12 12 VAL H H 1 5.000 . . 1 . . . . 46 VAL HN . 16181 1 65 . 1 1 12 12 VAL HA H 1 3.033 . . 1 . . . . 46 VAL HA . 16181 1 66 . 1 1 12 12 VAL HB H 1 -1.200 . . 1 . . . . 46 VAL HB . 16181 1 67 . 1 1 12 12 VAL HG11 H 1 -0.187 . . 2 . . . . 46 VAL HG11 . 16181 1 68 . 1 1 12 12 VAL HG12 H 1 -0.187 . . 2 . . . . 46 VAL HG11 . 16181 1 69 . 1 1 12 12 VAL HG13 H 1 -0.187 . . 2 . . . . 46 VAL HG11 . 16181 1 70 . 1 1 12 12 VAL HG21 H 1 0.515 . . 2 . . . . 46 VAL HG21 . 16181 1 71 . 1 1 12 12 VAL HG22 H 1 0.515 . . 2 . . . . 46 VAL HG21 . 16181 1 72 . 1 1 12 12 VAL HG23 H 1 0.515 . . 2 . . . . 46 VAL HG21 . 16181 1 73 . 1 1 12 12 VAL CA C 13 60.650 . . 1 . . . . 46 VAL CA . 16181 1 74 . 1 1 12 12 VAL CB C 13 29.280 . . 1 . . . . 46 VAL CB . 16181 1 75 . 1 1 12 12 VAL CG1 C 13 21.220 . . 1 . . . . 46 VAL CG1 . 16181 1 76 . 1 1 12 12 VAL CG2 C 13 22.680 . . 1 . . . . 46 VAL CG2 . 16181 1 77 . 1 1 13 13 GLY H H 1 7.330 . . 1 . . . . 47 GLY HN . 16181 1 78 . 1 1 13 13 GLY HA2 H 1 3.580 . . 2 . . . . 47 GLY HA1 . 16181 1 79 . 1 1 13 13 GLY HA3 H 1 4.180 . . 2 . . . . 47 GLY HA2 . 16181 1 80 . 1 1 13 13 GLY CA C 13 46.760 . . 1 . . . . 47 GLY CA . 16181 1 81 . 1 1 14 14 LYS H H 1 7.570 . . 1 . . . . 48 LYS HN . 16181 1 82 . 1 1 14 14 LYS HA H 1 4.065 . . 1 . . . . 48 LYS HA . 16181 1 83 . 1 1 14 14 LYS HB2 H 1 1.737 . . 2 . . . . 48 LYS HB1 . 16181 1 84 . 1 1 14 14 LYS HB3 H 1 1.830 . . 2 . . . . 48 LYS HB2 . 16181 1 85 . 1 1 14 14 LYS HD2 H 1 1.660 . . 2 . . . . 48 LYS HD1 . 16181 1 86 . 1 1 14 14 LYS HD3 H 1 1.660 . . 2 . . . . 48 LYS HD2 . 16181 1 87 . 1 1 14 14 LYS HE2 H 1 3.012 . . 2 . . . . 48 LYS HE1 . 16181 1 88 . 1 1 14 14 LYS HE3 H 1 3.012 . . 2 . . . . 48 LYS HE2 . 16181 1 89 . 1 1 14 14 LYS HG2 H 1 1.370 . . 2 . . . . 48 LYS HG1 . 16181 1 90 . 1 1 14 14 LYS HG3 H 1 1.370 . . 2 . . . . 48 LYS HG2 . 16181 1 91 . 1 1 14 14 LYS CA C 13 57.700 . . 1 . . . . 48 LYS CA . 16181 1 92 . 1 1 14 14 LYS CB C 13 30.700 . . 1 . . . . 48 LYS CB . 16181 1 93 . 1 1 14 14 LYS CD C 13 24.140 . . 1 . . . . 48 LYS CD . 16181 1 94 . 1 1 14 14 LYS CE C 13 40.700 . . 1 . . . . 48 LYS CE . 16181 1 95 . 1 1 14 14 LYS CG C 13 22.680 . . 1 . . . . 48 LYS CG . 16181 1 96 . 1 1 14 14 LYS N N 15 121.084 . . 1 . . . . 48 LYS N . 16181 1 97 . 1 1 15 15 ASP H H 1 7.309 . . 1 . . . . 49 ASP HN . 16181 1 98 . 1 1 15 15 ASP HA H 1 4.778 . . 1 . . . . 49 ASP HA . 16181 1 99 . 1 1 15 15 ASP HB2 H 1 2.320 . . 2 . . . . 49 ASP HB1 . 16181 1 100 . 1 1 15 15 ASP HB3 H 1 2.320 . . 2 . . . . 49 ASP HB2 . 16181 1 101 . 1 1 15 15 ASP CA C 13 52.880 . . 1 . . . . 49 ASP CA . 16181 1 102 . 1 1 15 15 ASP CB C 13 42.300 . . 1 . . . . 49 ASP CB . 16181 1 103 . 1 1 15 15 ASP N N 15 118.181 . . 1 . . . . 49 ASP N . 16181 1 104 . 1 1 16 16 LYS H H 1 7.506 . . 1 . . . . 50 LYS HN . 16181 1 105 . 1 1 16 16 LYS HA H 1 4.061 . . 1 . . . . 50 LYS HA . 16181 1 106 . 1 1 16 16 LYS HB2 H 1 1.680 . . 2 . . . . 50 LYS HB1 . 16181 1 107 . 1 1 16 16 LYS HB3 H 1 2.300 . . 2 . . . . 50 LYS HB2 . 16181 1 108 . 1 1 16 16 LYS HD2 H 1 1.660 . . 2 . . . . 50 LYS HD1 . 16181 1 109 . 1 1 16 16 LYS HD3 H 1 1.660 . . 2 . . . . 50 LYS HD2 . 16181 1 110 . 1 1 16 16 LYS HE2 H 1 2.820 . . 2 . . . . 50 LYS HE1 . 16181 1 111 . 1 1 16 16 LYS HE3 H 1 3.150 . . 2 . . . . 50 LYS HE2 . 16181 1 112 . 1 1 16 16 LYS HG2 H 1 1.550 . . 2 . . . . 50 LYS HG1 . 16181 1 113 . 1 1 16 16 LYS HG3 H 1 1.840 . . 2 . . . . 50 LYS HG2 . 16181 1 114 . 1 1 16 16 LYS CA C 13 60.610 . . 1 . . . . 50 LYS CA . 16181 1 115 . 1 1 16 16 LYS CB C 13 30.700 . . 1 . . . . 50 LYS CB . 16181 1 116 . 1 1 16 16 LYS CD C 13 28.510 . . 1 . . . . 50 LYS CD . 16181 1 117 . 1 1 16 16 LYS CE C 13 40.700 . . 1 . . . . 50 LYS CE . 16181 1 118 . 1 1 16 16 LYS CG C 13 25.600 . . 1 . . . . 50 LYS CG . 16181 1 119 . 1 1 16 16 LYS N N 15 123.633 . . 1 . . . . 50 LYS N . 16181 1 120 . 1 1 17 17 PRO HA H 1 4.430 . . 1 . . . . 51 PRO HA . 16181 1 121 . 1 1 17 17 PRO HB2 H 1 1.840 . . 2 . . . . 51 PRO HB1 . 16181 1 122 . 1 1 17 17 PRO HB3 H 1 2.410 . . 2 . . . . 51 PRO HB2 . 16181 1 123 . 1 1 17 17 PRO HD2 H 1 3.410 . . 2 . . . . 51 PRO HD1 . 16181 1 124 . 1 1 17 17 PRO HD3 H 1 3.760 . . 2 . . . . 51 PRO HD2 . 16181 1 125 . 1 1 17 17 PRO HG2 H 1 2.000 . . 2 . . . . 51 PRO HG1 . 16181 1 126 . 1 1 17 17 PRO HG3 H 1 2.130 . . 2 . . . . 51 PRO HG2 . 16181 1 127 . 1 1 17 17 PRO CA C 13 65.720 . . 1 . . . . 51 PRO CA . 16181 1 128 . 1 1 17 17 PRO CB C 13 29.970 . . 1 . . . . 51 PRO CB . 16181 1 129 . 1 1 17 17 PRO CD C 13 48.920 . . 1 . . . . 51 PRO CD . 16181 1 130 . 1 1 17 17 PRO CG C 13 27.790 . . 1 . . . . 51 PRO CG . 16181 1 131 . 1 1 18 18 THR H H 1 7.280 . . 1 . . . . 52 THR HN . 16181 1 132 . 1 1 18 18 THR HA H 1 3.970 . . 1 . . . . 52 THR HA . 16181 1 133 . 1 1 18 18 THR HB H 1 3.920 . . 1 . . . . 52 THR HB . 16181 1 134 . 1 1 18 18 THR HG21 H 1 1.129 . . 1 . . . . 52 THR HG21 . 16181 1 135 . 1 1 18 18 THR HG22 H 1 1.129 . . 1 . . . . 52 THR HG21 . 16181 1 136 . 1 1 18 18 THR HG23 H 1 1.129 . . 1 . . . . 52 THR HG21 . 16181 1 137 . 1 1 18 18 THR CA C 13 64.990 . . 1 . . . . 52 THR CA . 16181 1 138 . 1 1 18 18 THR CB C 13 67.170 . . 1 . . . . 52 THR CB . 16181 1 139 . 1 1 18 18 THR CG2 C 13 20.530 . . 1 . . . . 52 THR CG2 . 16181 1 140 . 1 1 18 18 THR N N 15 115.095 . . 1 . . . . 52 THR N . 16181 1 141 . 1 1 19 19 TYR H H 1 7.083 . . 1 . . . . 53 TYR HN . 16181 1 142 . 1 1 19 19 TYR HA H 1 4.716 . . 1 . . . . 53 TYR HA . 16181 1 143 . 1 1 19 19 TYR HB2 H 1 3.140 . . 2 . . . . 53 TYR HB1 . 16181 1 144 . 1 1 19 19 TYR HB3 H 1 3.260 . . 2 . . . . 53 TYR HB2 . 16181 1 145 . 1 1 19 19 TYR HD1 H 1 6.780 . . 3 . . . . 53 TYR HD1 . 16181 1 146 . 1 1 19 19 TYR HD2 H 1 6.780 . . 3 . . . . 53 TYR HD2 . 16181 1 147 . 1 1 19 19 TYR HE1 H 1 6.750 . . 3 . . . . 53 TYR HE1 . 16181 1 148 . 1 1 19 19 TYR HE2 H 1 6.750 . . 3 . . . . 53 TYR HE2 . 16181 1 149 . 1 1 19 19 TYR CA C 13 57.400 . . 1 . . . . 53 TYR CA . 16181 1 150 . 1 1 19 19 TYR CB C 13 35.800 . . 1 . . . . 53 TYR CB . 16181 1 151 . 1 1 19 19 TYR CD1 C 13 128.200 . . 3 . . . . 53 TYR CD1 . 16181 1 152 . 1 1 19 19 TYR CD2 C 13 128.200 . . 3 . . . . 53 TYR CD2 . 16181 1 153 . 1 1 19 19 TYR CE1 C 13 115.600 . . 3 . . . . 53 TYR CE1 . 16181 1 154 . 1 1 19 19 TYR CE2 C 13 115.600 . . 3 . . . . 53 TYR CE2 . 16181 1 155 . 1 1 19 19 TYR N N 15 125.380 . . 1 . . . . 53 TYR N . 16181 1 156 . 1 1 20 20 ASP H H 1 9.596 . . 1 . . . . 54 ASP HN . 16181 1 157 . 1 1 20 20 ASP HA H 1 4.492 . . 1 . . . . 54 ASP HA . 16181 1 158 . 1 1 20 20 ASP HB2 H 1 2.800 . . 2 . . . . 54 ASP HB1 . 16181 1 159 . 1 1 20 20 ASP HB3 H 1 2.930 . . 2 . . . . 54 ASP HB2 . 16181 1 160 . 1 1 20 20 ASP CA C 13 56.200 . . 1 . . . . 54 ASP CA . 16181 1 161 . 1 1 20 20 ASP CB C 13 38.730 . . 1 . . . . 54 ASP CB . 16181 1 162 . 1 1 20 20 ASP N N 15 124.548 . . 1 . . . . 54 ASP N . 16181 1 163 . 1 1 21 21 GLU H H 1 7.309 . . 1 . . . . 55 GLU HN . 16181 1 164 . 1 1 21 21 GLU HA H 1 4.140 . . 1 . . . . 55 GLU HA . 16181 1 165 . 1 1 21 21 GLU HB2 H 1 2.190 . . 2 . . . . 55 GLU HB1 . 16181 1 166 . 1 1 21 21 GLU HB3 H 1 2.250 . . 2 . . . . 55 GLU HB2 . 16181 1 167 . 1 1 21 21 GLU HG2 H 1 2.380 . . 2 . . . . 55 GLU HG1 . 16181 1 168 . 1 1 21 21 GLU HG3 H 1 2.580 . . 2 . . . . 55 GLU HG2 . 16181 1 169 . 1 1 21 21 GLU CA C 13 58.420 . . 1 . . . . 55 GLU CA . 16181 1 170 . 1 1 21 21 GLU CB C 13 29.250 . . 1 . . . . 55 GLU CB . 16181 1 171 . 1 1 21 21 GLU CG C 13 35.080 . . 1 . . . . 55 GLU CG . 16181 1 172 . 1 1 21 21 GLU N N 15 118.181 . . 1 . . . . 55 GLU N . 16181 1 173 . 1 1 22 22 ILE H H 1 7.249 . . 1 . . . . 56 ILE HN . 16181 1 174 . 1 1 22 22 ILE HA H 1 3.940 . . 1 . . . . 56 ILE HA . 16181 1 175 . 1 1 22 22 ILE HB H 1 2.417 . . 1 . . . . 56 ILE HB . 16181 1 176 . 1 1 22 22 ILE HD11 H 1 1.067 . . 1 . . . . 56 ILE HD11 . 16181 1 177 . 1 1 22 22 ILE HD12 H 1 1.067 . . 1 . . . . 56 ILE HD11 . 16181 1 178 . 1 1 22 22 ILE HD13 H 1 1.067 . . 1 . . . . 56 ILE HD11 . 16181 1 179 . 1 1 22 22 ILE HG12 H 1 1.330 . . 1 . . . . 56 ILE HG11 . 16181 1 180 . 1 1 22 22 ILE HG13 H 1 1.940 . . 1 . . . . 56 ILE HG12 . 16181 1 181 . 1 1 22 22 ILE HG21 H 1 1.114 . . 2 . . . . 56 ILE HG21 . 16181 1 182 . 1 1 22 22 ILE HG22 H 1 1.114 . . 2 . . . . 56 ILE HG21 . 16181 1 183 . 1 1 22 22 ILE HG23 H 1 1.114 . . 2 . . . . 56 ILE HG21 . 16181 1 184 . 1 1 22 22 ILE CA C 13 62.870 . . 1 . . . . 56 ILE CA . 16181 1 185 . 1 1 22 22 ILE CB C 13 38.000 . . 1 . . . . 56 ILE CB . 16181 1 186 . 1 1 22 22 ILE CD1 C 13 12.470 . . 1 . . . . 56 ILE CD1 . 16181 1 187 . 1 1 22 22 ILE CG1 C 13 27.000 . . 2 . . . . 56 ILE CG1 . 16181 1 188 . 1 1 22 22 ILE CG2 C 13 16.840 . . 1 . . . . 56 ILE CG2 . 16181 1 189 . 1 1 22 22 ILE N N 15 118.978 . . 1 . . . . 56 ILE N . 16181 1 190 . 1 1 23 23 PHE H H 1 9.117 . . 1 . . . . 57 PHE HN . 16181 1 191 . 1 1 23 23 PHE HA H 1 3.090 . . 1 . . . . 57 PHE HA . 16181 1 192 . 1 1 23 23 PHE HB2 H 1 3.100 . . 2 . . . . 57 PHE HB1 . 16181 1 193 . 1 1 23 23 PHE HB3 H 1 3.270 . . 2 . . . . 57 PHE HB2 . 16181 1 194 . 1 1 23 23 PHE HD1 H 1 5.930 . . 3 . . . . 57 PHE HD1 . 16181 1 195 . 1 1 23 23 PHE HD2 H 1 5.930 . . 3 . . . . 57 PHE HD2 . 16181 1 196 . 1 1 23 23 PHE HE1 H 1 6.850 . . 3 . . . . 57 PHE HE1 . 16181 1 197 . 1 1 23 23 PHE HE2 H 1 6.850 . . 3 . . . . 57 PHE HE2 . 16181 1 198 . 1 1 23 23 PHE HZ H 1 7.250 . . 1 . . . . 57 PHE HZ . 16181 1 199 . 1 1 23 23 PHE CA C 13 61.300 . . 1 . . . . 57 PHE CA . 16181 1 200 . 1 1 23 23 PHE CB C 13 38.730 . . 1 . . . . 57 PHE CB . 16181 1 201 . 1 1 23 23 PHE CD1 C 13 127.700 . . 3 . . . . 57 PHE CD1 . 16181 1 202 . 1 1 23 23 PHE CD2 C 13 127.700 . . 3 . . . . 57 PHE CD2 . 16181 1 203 . 1 1 23 23 PHE CE1 C 13 127.900 . . 3 . . . . 57 PHE CE1 . 16181 1 204 . 1 1 23 23 PHE CE2 C 13 127.900 . . 3 . . . . 57 PHE CE2 . 16181 1 205 . 1 1 23 23 PHE CZ C 13 126.650 . . 1 . . . . 57 PHE CZ . 16181 1 206 . 1 1 23 23 PHE N N 15 127.639 . . 1 . . . . 57 PHE N . 16181 1 207 . 1 1 24 24 TYR H H 1 7.922 . . 1 . . . . 58 TYR HN . 16181 1 208 . 1 1 24 24 TYR HA H 1 3.990 . . 1 . . . . 58 TYR HA . 16181 1 209 . 1 1 24 24 TYR HB2 H 1 2.910 . . 2 . . . . 58 TYR HB1 . 16181 1 210 . 1 1 24 24 TYR HB3 H 1 3.390 . . 2 . . . . 58 TYR HB2 . 16181 1 211 . 1 1 24 24 TYR HD1 H 1 7.400 . . 3 . . . . 58 TYR HD1 . 16181 1 212 . 1 1 24 24 TYR HD2 H 1 7.400 . . 3 . . . . 58 TYR HD2 . 16181 1 213 . 1 1 24 24 TYR HE1 H 1 6.890 . . 3 . . . . 58 TYR HE1 . 16181 1 214 . 1 1 24 24 TYR HE2 H 1 6.890 . . 3 . . . . 58 TYR HE2 . 16181 1 215 . 1 1 24 24 TYR CA C 13 60.610 . . 1 . . . . 58 TYR CA . 16181 1 216 . 1 1 24 24 TYR CB C 13 36.540 . . 1 . . . . 58 TYR CB . 16181 1 217 . 1 1 24 24 TYR CD1 C 13 130.460 . . 3 . . . . 58 TYR CD1 . 16181 1 218 . 1 1 24 24 TYR CD2 C 13 130.460 . . 3 . . . . 58 TYR CD2 . 16181 1 219 . 1 1 24 24 TYR CE1 C 13 114.690 . . 3 . . . . 58 TYR CE1 . 16181 1 220 . 1 1 24 24 TYR CE2 C 13 114.690 . . 3 . . . . 58 TYR CE2 . 16181 1 221 . 1 1 24 24 TYR N N 15 112.757 . . 1 . . . . 58 TYR N . 16181 1 222 . 1 1 25 25 THR H H 1 8.081 . . 1 . . . . 59 THR HN . 16181 1 223 . 1 1 25 25 THR HA H 1 4.640 . . 1 . . . . 59 THR HA . 16181 1 224 . 1 1 25 25 THR HB H 1 4.500 . . 1 . . . . 59 THR HB . 16181 1 225 . 1 1 25 25 THR HG1 H 1 6.040 . . 1 . . . . 59 THR HG1 . 16181 1 226 . 1 1 25 25 THR HG21 H 1 1.460 . . 1 . . . . 59 THR HG21 . 16181 1 227 . 1 1 25 25 THR HG22 H 1 1.460 . . 1 . . . . 59 THR HG21 . 16181 1 228 . 1 1 25 25 THR HG23 H 1 1.460 . . 1 . . . . 59 THR HG21 . 16181 1 229 . 1 1 25 25 THR CA C 13 62.070 . . 1 . . . . 59 THR CA . 16181 1 230 . 1 1 25 25 THR CB C 13 68.630 . . 1 . . . . 59 THR CB . 16181 1 231 . 1 1 25 25 THR CG2 C 13 20.490 . . 1 . . . . 59 THR CG2 . 16181 1 232 . 1 1 25 25 THR N N 15 112.676 . . 1 . . . . 59 THR N . 16181 1 233 . 1 1 26 26 LEU H H 1 7.373 . . 1 . . . . 60 LEU HN . 16181 1 234 . 1 1 26 26 LEU HA H 1 4.460 . . 1 . . . . 60 LEU HA . 16181 1 235 . 1 1 26 26 LEU HB2 H 1 1.315 . . 2 . . . . 60 LEU HB1 . 16181 1 236 . 1 1 26 26 LEU HB3 H 1 1.510 . . 2 . . . . 60 LEU HB2 . 16181 1 237 . 1 1 26 26 LEU HD11 H 1 0.498 . . 2 . . . . 60 LEU HD11 . 16181 1 238 . 1 1 26 26 LEU HD12 H 1 0.498 . . 2 . . . . 60 LEU HD11 . 16181 1 239 . 1 1 26 26 LEU HD13 H 1 0.498 . . 2 . . . . 60 LEU HD11 . 16181 1 240 . 1 1 26 26 LEU HD21 H 1 0.713 . . 2 . . . . 60 LEU HD21 . 16181 1 241 . 1 1 26 26 LEU HD22 H 1 0.713 . . 2 . . . . 60 LEU HD21 . 16181 1 242 . 1 1 26 26 LEU HD23 H 1 0.713 . . 2 . . . . 60 LEU HD21 . 16181 1 243 . 1 1 26 26 LEU HG H 1 1.610 . . 1 . . . . 60 LEU HG . 16181 1 244 . 1 1 26 26 LEU CA C 13 52.600 . . 1 . . . . 60 LEU CA . 16181 1 245 . 1 1 26 26 LEU CB C 13 39.400 . . 1 . . . . 60 LEU CB . 16181 1 246 . 1 1 26 26 LEU CD1 C 13 26.330 . . 1 . . . . 60 LEU CD1 . 16181 1 247 . 1 1 26 26 LEU CD2 C 13 21.220 . . 1 . . . . 60 LEU CD2 . 16181 1 248 . 1 1 26 26 LEU CG C 13 24.150 . . 1 . . . . 60 LEU CG . 16181 1 249 . 1 1 26 26 LEU N N 15 125.808 . . 1 . . . . 60 LEU N . 16181 1 250 . 1 1 27 27 SER H H 1 7.860 . . 1 . . . . 61 SER HN . 16181 1 251 . 1 1 27 27 SER HA H 1 3.980 . . 1 . . . . 61 SER HA . 16181 1 252 . 1 1 27 27 SER HB2 H 1 3.830 . . 2 . . . . 61 SER HB1 . 16181 1 253 . 1 1 27 27 SER HB3 H 1 3.920 . . 2 . . . . 61 SER HB2 . 16181 1 254 . 1 1 27 27 SER CA C 13 56.960 . . 1 . . . . 61 SER CA . 16181 1 255 . 1 1 27 27 SER CB C 13 60.640 . . 1 . . . . 61 SER CB . 16181 1 256 . 1 1 27 27 SER N N 15 111.582 . . 1 . . . . 61 SER N . 16181 1 257 . 1 1 28 28 PRO HA H 1 4.190 . . 1 . . . . 62 PRO HA . 16181 1 258 . 1 1 28 28 PRO HB2 H 1 1.210 . . 2 . . . . 62 PRO HB1 . 16181 1 259 . 1 1 28 28 PRO HB3 H 1 1.550 . . 2 . . . . 62 PRO HB2 . 16181 1 260 . 1 1 28 28 PRO HD2 H 1 3.110 . . 2 . . . . 62 PRO HD1 . 16181 1 261 . 1 1 28 28 PRO HD3 H 1 3.440 . . 2 . . . . 62 PRO HD2 . 16181 1 262 . 1 1 28 28 PRO HG2 H 1 1.270 . . 2 . . . . 62 PRO HG1 . 16181 1 263 . 1 1 28 28 PRO HG3 H 1 1.880 . . 2 . . . . 62 PRO HG2 . 16181 1 264 . 1 1 28 28 PRO CA C 13 62.070 . . 1 . . . . 62 PRO CA . 16181 1 265 . 1 1 28 28 PRO CB C 13 29.970 . . 1 . . . . 62 PRO CB . 16181 1 266 . 1 1 28 28 PRO CD C 13 48.940 . . 1 . . . . 62 PRO CD . 16181 1 267 . 1 1 28 28 PRO CG C 13 26.330 . . 1 . . . . 62 PRO CG . 16181 1 268 . 1 1 29 29 VAL H H 1 8.744 . . 1 . . . . 63 VAL HN . 16181 1 269 . 1 1 29 29 VAL HA H 1 4.180 . . 1 . . . . 63 VAL HA . 16181 1 270 . 1 1 29 29 VAL HB H 1 1.960 . . 1 . . . . 63 VAL HB . 16181 1 271 . 1 1 29 29 VAL HG11 H 1 0.923 . . 2 . . . . 63 VAL HG11 . 16181 1 272 . 1 1 29 29 VAL HG12 H 1 0.923 . . 2 . . . . 63 VAL HG11 . 16181 1 273 . 1 1 29 29 VAL HG13 H 1 0.923 . . 2 . . . . 63 VAL HG11 . 16181 1 274 . 1 1 29 29 VAL HG21 H 1 0.963 . . 2 . . . . 63 VAL HG21 . 16181 1 275 . 1 1 29 29 VAL HG22 H 1 0.963 . . 2 . . . . 63 VAL HG21 . 16181 1 276 . 1 1 29 29 VAL HG23 H 1 0.963 . . 2 . . . . 63 VAL HG21 . 16181 1 277 . 1 1 29 29 VAL CA C 13 60.640 . . 1 . . . . 63 VAL CA . 16181 1 278 . 1 1 29 29 VAL CB C 13 33.620 . . 1 . . . . 63 VAL CB . 16181 1 279 . 1 1 29 29 VAL CG1 C 13 19.760 . . 1 . . . . 63 VAL CG1 . 16181 1 280 . 1 1 29 29 VAL CG2 C 13 20.490 . . 1 . . . . 63 VAL CG2 . 16181 1 281 . 1 1 29 29 VAL N N 15 124.299 . . 1 . . . . 63 VAL N . 16181 1 282 . 1 1 30 30 ASN H H 1 9.713 . . 1 . . . . 64 ASN HN . 16181 1 283 . 1 1 30 30 ASN HA H 1 4.410 . . 1 . . . . 64 ASN HA . 16181 1 284 . 1 1 30 30 ASN HB2 H 1 2.810 . . 2 . . . . 64 ASN HB1 . 16181 1 285 . 1 1 30 30 ASN HB3 H 1 3.110 . . 2 . . . . 64 ASN HB2 . 16181 1 286 . 1 1 30 30 ASN HD21 H 1 7.650 . . 2 . . . . 64 ASN HD21 . 16181 1 287 . 1 1 30 30 ASN HD22 H 1 6.930 . . 2 . . . . 64 ASN HD22 . 16181 1 288 . 1 1 30 30 ASN CA C 13 53.320 . . 1 . . . . 64 ASN CA . 16181 1 289 . 1 1 30 30 ASN CB C 13 36.540 . . 1 . . . . 64 ASN CB . 16181 1 290 . 1 1 30 30 ASN N N 15 129.729 . . 1 . . . . 64 ASN N . 16181 1 291 . 1 1 30 30 ASN ND2 N 15 115.282 . . 1 . . . . 64 ASN ND2 . 16181 1 292 . 1 1 31 31 GLY H H 1 8.862 . . 1 . . . . 65 GLY HN . 16181 1 293 . 1 1 31 31 GLY HA2 H 1 3.770 . . 2 . . . . 65 GLY HA1 . 16181 1 294 . 1 1 31 31 GLY HA3 H 1 4.250 . . 2 . . . . 65 GLY HA2 . 16181 1 295 . 1 1 31 31 GLY CA C 13 44.560 . . 1 . . . . 65 GLY CA . 16181 1 296 . 1 1 31 31 GLY N N 15 130.641 . . 1 . . . . 65 GLY N . 16181 1 297 . 1 1 32 32 LYS H H 1 7.501 . . 1 . . . . 66 LYS HN . 16181 1 298 . 1 1 32 32 LYS HA H 1 5.400 . . 1 . . . . 66 LYS HA . 16181 1 299 . 1 1 32 32 LYS HB2 H 1 1.720 . . 2 . . . . 66 LYS HB1 . 16181 1 300 . 1 1 32 32 LYS HB3 H 1 1.720 . . 2 . . . . 66 LYS HB2 . 16181 1 301 . 1 1 32 32 LYS HD2 H 1 1.600 . . 2 . . . . 66 LYS HD1 . 16181 1 302 . 1 1 32 32 LYS HD3 H 1 1.770 . . 2 . . . . 66 LYS HD2 . 16181 1 303 . 1 1 32 32 LYS HE2 H 1 3.110 . . 2 . . . . 66 LYS HE1 . 16181 1 304 . 1 1 32 32 LYS HE3 H 1 3.080 . . 2 . . . . 66 LYS HE2 . 16181 1 305 . 1 1 32 32 LYS HG2 H 1 1.300 . . 2 . . . . 66 LYS HG1 . 16181 1 306 . 1 1 32 32 LYS HG3 H 1 1.460 . . 2 . . . . 66 LYS HG2 . 16181 1 307 . 1 1 32 32 LYS CA C 13 54.040 . . 1 . . . . 66 LYS CA . 16181 1 308 . 1 1 32 32 LYS CB C 13 36.540 . . 1 . . . . 66 LYS CB . 16181 1 309 . 1 1 32 32 LYS CD C 13 28.900 . . 1 . . . . 66 LYS CD . 16181 1 310 . 1 1 32 32 LYS CE C 13 40.920 . . 1 . . . . 66 LYS CE . 16181 1 311 . 1 1 32 32 LYS CG C 13 24.100 . . 1 . . . . 66 LYS CG . 16181 1 312 . 1 1 32 32 LYS N N 15 118.738 . . 1 . . . . 66 LYS N . 16181 1 313 . 1 1 33 33 ILE H H 1 9.230 . . 1 . . . . 67 ILE HN . 16181 1 314 . 1 1 33 33 ILE HA H 1 5.010 . . 1 . . . . 67 ILE HA . 16181 1 315 . 1 1 33 33 ILE HB H 1 1.790 . . 1 . . . . 67 ILE HB . 16181 1 316 . 1 1 33 33 ILE HD11 H 1 0.460 . . 1 . . . . 67 ILE HD11 . 16181 1 317 . 1 1 33 33 ILE HD12 H 1 0.460 . . 1 . . . . 67 ILE HD11 . 16181 1 318 . 1 1 33 33 ILE HD13 H 1 0.460 . . 1 . . . . 67 ILE HD11 . 16181 1 319 . 1 1 33 33 ILE HG12 H 1 1.460 . . 1 . . . . 67 ILE HG11 . 16181 1 320 . 1 1 33 33 ILE HG13 H 1 1.460 . . 1 . . . . 67 ILE HG12 . 16181 1 321 . 1 1 33 33 ILE HG21 H 1 -0.030 . . 2 . . . . 67 ILE HG21 . 16181 1 322 . 1 1 33 33 ILE HG22 H 1 -0.030 . . 2 . . . . 67 ILE HG21 . 16181 1 323 . 1 1 33 33 ILE HG23 H 1 -0.030 . . 2 . . . . 67 ILE HG21 . 16181 1 324 . 1 1 33 33 ILE CA C 13 57.690 . . 1 . . . . 67 ILE CA . 16181 1 325 . 1 1 33 33 ILE CB C 13 40.190 . . 1 . . . . 67 ILE CB . 16181 1 326 . 1 1 33 33 ILE CD1 C 13 14.660 . . 1 . . . . 67 ILE CD1 . 16181 1 327 . 1 1 33 33 ILE CG1 C 13 24.140 . . 2 . . . . 67 ILE CG1 . 16181 1 328 . 1 1 33 33 ILE CG2 C 13 16.100 . . 1 . . . . 67 ILE CG2 . 16181 1 329 . 1 1 33 33 ILE N N 15 118.166 . . 1 . . . . 67 ILE N . 16181 1 330 . 1 1 34 34 THR H H 1 8.262 . . 1 . . . . 68 THR HN . 16181 1 331 . 1 1 34 34 THR HA H 1 4.530 . . 1 . . . . 68 THR HA . 16181 1 332 . 1 1 34 34 THR HB H 1 4.700 . . 1 . . . . 68 THR HB . 16181 1 333 . 1 1 34 34 THR HG1 H 1 5.400 . . 1 . . . . 68 THR HG1 . 16181 1 334 . 1 1 34 34 THR HG21 H 1 1.340 . . 1 . . . . 68 THR HG21 . 16181 1 335 . 1 1 34 34 THR HG22 H 1 1.340 . . 1 . . . . 68 THR HG21 . 16181 1 336 . 1 1 34 34 THR HG23 H 1 1.340 . . 1 . . . . 68 THR HG21 . 16181 1 337 . 1 1 34 34 THR CA C 13 59.100 . . 1 . . . . 68 THR CA . 16181 1 338 . 1 1 34 34 THR CB C 13 70.000 . . 1 . . . . 68 THR CB . 16181 1 339 . 1 1 34 34 THR CG2 C 13 21.160 . . 1 . . . . 68 THR CG2 . 16181 1 340 . 1 1 34 34 THR N N 15 111.971 . . 1 . . . . 68 THR N . 16181 1 341 . 1 1 35 35 GLY H H 1 9.000 . . 1 . . . . 69 GLY HN . 16181 1 342 . 1 1 35 35 GLY HA2 H 1 3.540 . . 2 . . . . 69 GLY HA1 . 16181 1 343 . 1 1 35 35 GLY HA3 H 1 3.830 . . 2 . . . . 69 GLY HA2 . 16181 1 344 . 1 1 35 35 GLY CA C 13 47.480 . . 1 . . . . 69 GLY CA . 16181 1 345 . 1 1 35 35 GLY N N 15 110.304 . . 1 . . . . 69 GLY N . 16181 1 346 . 1 1 36 36 ALA H H 1 8.336 . . 1 . . . . 70 ALA HN . 16181 1 347 . 1 1 36 36 ALA HA H 1 3.880 . . 1 . . . . 70 ALA HA . 16181 1 348 . 1 1 36 36 ALA HB1 H 1 1.300 . . 1 . . . . 70 ALA HB1 . 16181 1 349 . 1 1 36 36 ALA HB2 H 1 1.300 . . 1 . . . . 70 ALA HB1 . 16181 1 350 . 1 1 36 36 ALA HB3 H 1 1.300 . . 1 . . . . 70 ALA HB1 . 16181 1 351 . 1 1 36 36 ALA CA C 13 54.040 . . 1 . . . . 70 ALA CA . 16181 1 352 . 1 1 36 36 ALA CB C 13 17.570 . . 1 . . . . 70 ALA CB . 16181 1 353 . 1 1 36 36 ALA N N 15 123.822 . . 1 . . . . 70 ALA N . 16181 1 354 . 1 1 37 37 ASN H H 1 7.560 . . 1 . . . . 71 ASN HN . 16181 1 355 . 1 1 37 37 ASN HA H 1 4.680 . . 1 . . . . 71 ASN HA . 16181 1 356 . 1 1 37 37 ASN HB2 H 1 2.550 . . 2 . . . . 71 ASN HB1 . 16181 1 357 . 1 1 37 37 ASN HB3 H 1 2.850 . . 2 . . . . 71 ASN HB2 . 16181 1 358 . 1 1 37 37 ASN HD21 H 1 8.130 . . 2 . . . . 71 ASN HD21 . 16181 1 359 . 1 1 37 37 ASN HD22 H 1 7.109 . . 2 . . . . 71 ASN HD22 . 16181 1 360 . 1 1 37 37 ASN CA C 13 54.040 . . 1 . . . . 71 ASN CA . 16181 1 361 . 1 1 37 37 ASN CB C 13 36.500 . . 1 . . . . 71 ASN CB . 16181 1 362 . 1 1 37 37 ASN N N 15 118.643 . . 1 . . . . 71 ASN N . 16181 1 363 . 1 1 37 37 ASN ND2 N 15 117.044 . . 1 . . . . 71 ASN ND2 . 16181 1 364 . 1 1 38 38 ALA H H 1 8.810 . . 1 . . . . 72 ALA HN . 16181 1 365 . 1 1 38 38 ALA HA H 1 4.100 . . 1 . . . . 72 ALA HA . 16181 1 366 . 1 1 38 38 ALA HB1 H 1 1.820 . . 1 . . . . 72 ALA HB1 . 16181 1 367 . 1 1 38 38 ALA HB2 H 1 1.820 . . 1 . . . . 72 ALA HB1 . 16181 1 368 . 1 1 38 38 ALA HB3 H 1 1.820 . . 1 . . . . 72 ALA HB1 . 16181 1 369 . 1 1 38 38 ALA CA C 13 54.770 . . 1 . . . . 72 ALA CA . 16181 1 370 . 1 1 38 38 ALA CB C 13 18.240 . . 1 . . . . 72 ALA CB . 16181 1 371 . 1 1 38 38 ALA N N 15 123.731 . . 1 . . . . 72 ALA N . 16181 1 372 . 1 1 39 39 LYS H H 1 8.837 . . 1 . . . . 73 LYS HN . 16181 1 373 . 1 1 39 39 LYS HA H 1 3.940 . . 1 . . . . 73 LYS HA . 16181 1 374 . 1 1 39 39 LYS HB2 H 1 1.490 . . 2 . . . . 73 LYS HB1 . 16181 1 375 . 1 1 39 39 LYS HB3 H 1 1.800 . . 2 . . . . 73 LYS HB2 . 16181 1 376 . 1 1 39 39 LYS HD2 H 1 1.220 . . 2 . . . . 73 LYS HD1 . 16181 1 377 . 1 1 39 39 LYS HD3 H 1 1.260 . . 2 . . . . 73 LYS HD2 . 16181 1 378 . 1 1 39 39 LYS HE2 H 1 2.380 . . 2 . . . . 73 LYS HE1 . 16181 1 379 . 1 1 39 39 LYS HE3 H 1 2.530 . . 2 . . . . 73 LYS HE2 . 16181 1 380 . 1 1 39 39 LYS HG2 H 1 1.000 . . 2 . . . . 73 LYS HG1 . 16181 1 381 . 1 1 39 39 LYS HG3 H 1 1.300 . . 2 . . . . 73 LYS HG2 . 16181 1 382 . 1 1 39 39 LYS CA C 13 59.130 . . 1 . . . . 73 LYS CA . 16181 1 383 . 1 1 39 39 LYS CB C 13 31.430 . . 1 . . . . 73 LYS CB . 16181 1 384 . 1 1 39 39 LYS CD C 13 24.870 . . 1 . . . . 73 LYS CD . 16181 1 385 . 1 1 39 39 LYS CE C 13 40.920 . . 1 . . . . 73 LYS CE . 16181 1 386 . 1 1 39 39 LYS CG C 13 28.510 . . 1 . . . . 73 LYS CG . 16181 1 387 . 1 1 39 39 LYS N N 15 120.046 . . 1 . . . . 73 LYS N . 16181 1 388 . 1 1 40 40 LYS H H 1 7.319 . . 1 . . . . 74 LYS HN . 16181 1 389 . 1 1 40 40 LYS HA H 1 3.990 . . 1 . . . . 74 LYS HA . 16181 1 390 . 1 1 40 40 LYS HB2 H 1 1.990 . . 2 . . . . 74 LYS HB1 . 16181 1 391 . 1 1 40 40 LYS HB3 H 1 1.990 . . 2 . . . . 74 LYS HB2 . 16181 1 392 . 1 1 40 40 LYS HD2 H 1 1.690 . . 2 . . . . 74 LYS HD1 . 16181 1 393 . 1 1 40 40 LYS HD3 H 1 1.720 . . 2 . . . . 74 LYS HD2 . 16181 1 394 . 1 1 40 40 LYS HE2 H 1 2.960 . . 2 . . . . 74 LYS HE1 . 16181 1 395 . 1 1 40 40 LYS HE3 H 1 2.960 . . 2 . . . . 74 LYS HE2 . 16181 1 396 . 1 1 40 40 LYS HG2 H 1 1.520 . . 2 . . . . 74 LYS HG1 . 16181 1 397 . 1 1 40 40 LYS HG3 H 1 1.630 . . 2 . . . . 74 LYS HG2 . 16181 1 398 . 1 1 40 40 LYS CA C 13 58.470 . . 1 . . . . 74 LYS CA . 16181 1 399 . 1 1 40 40 LYS CB C 13 31.430 . . 1 . . . . 74 LYS CB . 16181 1 400 . 1 1 40 40 LYS CD C 13 28.500 . . 1 . . . . 74 LYS CD . 16181 1 401 . 1 1 40 40 LYS CE C 13 41.200 . . 1 . . . . 74 LYS CE . 16181 1 402 . 1 1 40 40 LYS CG C 13 24.200 . . 1 . . . . 74 LYS CG . 16181 1 403 . 1 1 40 40 LYS N N 15 118.778 . . 1 . . . . 74 LYS N . 16181 1 404 . 1 1 41 41 GLU H H 1 7.111 . . 1 . . . . 75 GLU HN . 16181 1 405 . 1 1 41 41 GLU HA H 1 4.420 . . 1 . . . . 75 GLU HA . 16181 1 406 . 1 1 41 41 GLU HB2 H 1 2.230 . . 2 . . . . 75 GLU HB1 . 16181 1 407 . 1 1 41 41 GLU HB3 H 1 2.230 . . 2 . . . . 75 GLU HB2 . 16181 1 408 . 1 1 41 41 GLU HG2 H 1 2.370 . . 2 . . . . 75 GLU HG1 . 16181 1 409 . 1 1 41 41 GLU HG3 H 1 2.440 . . 2 . . . . 75 GLU HG2 . 16181 1 410 . 1 1 41 41 GLU CA C 13 56.200 . . 1 . . . . 75 GLU CA . 16181 1 411 . 1 1 41 41 GLU CB C 13 29.240 . . 1 . . . . 75 GLU CB . 16181 1 412 . 1 1 41 41 GLU CG C 13 35.080 . . 1 . . . . 75 GLU CG . 16181 1 413 . 1 1 41 41 GLU N N 15 117.703 . . 1 . . . . 75 GLU N . 16181 1 414 . 1 1 42 42 MET H H 1 8.603 . . 1 . . . . 76 MET HN . 16181 1 415 . 1 1 42 42 MET HA H 1 4.010 . . 1 . . . . 76 MET HA . 16181 1 416 . 1 1 42 42 MET HB2 H 1 2.200 . . 2 . . . . 76 MET HB1 . 16181 1 417 . 1 1 42 42 MET HB3 H 1 2.280 . . 2 . . . . 76 MET HB2 . 16181 1 418 . 1 1 42 42 MET HE1 H 1 2.110 . . 1 . . . . 76 MET HE1 . 16181 1 419 . 1 1 42 42 MET HE2 H 1 2.110 . . 1 . . . . 76 MET HE1 . 16181 1 420 . 1 1 42 42 MET HE3 H 1 2.110 . . 1 . . . . 76 MET HE1 . 16181 1 421 . 1 1 42 42 MET HG2 H 1 2.380 . . 2 . . . . 76 MET HG1 . 16181 1 422 . 1 1 42 42 MET HG3 H 1 3.030 . . 2 . . . . 76 MET HG2 . 16181 1 423 . 1 1 42 42 MET CA C 13 59.100 . . 1 . . . . 76 MET CA . 16181 1 424 . 1 1 42 42 MET CB C 13 33.620 . . 1 . . . . 76 MET CB . 16181 1 425 . 1 1 42 42 MET CE C 13 16.100 . . 1 . . . . 76 MET CE . 16181 1 426 . 1 1 42 42 MET CG C 13 31.430 . . 1 . . . . 76 MET CG . 16181 1 427 . 1 1 42 42 MET N N 15 121.344 . . 1 . . . . 76 MET N . 16181 1 428 . 1 1 43 43 VAL H H 1 8.661 . . 1 . . . . 77 VAL HN . 16181 1 429 . 1 1 43 43 VAL HA H 1 4.063 . . 1 . . . . 77 VAL HA . 16181 1 430 . 1 1 43 43 VAL HB H 1 2.393 . . 1 . . . . 77 VAL HB . 16181 1 431 . 1 1 43 43 VAL HG11 H 1 1.080 . . 2 . . . . 77 VAL HG11 . 16181 1 432 . 1 1 43 43 VAL HG12 H 1 1.080 . . 2 . . . . 77 VAL HG11 . 16181 1 433 . 1 1 43 43 VAL HG13 H 1 1.080 . . 2 . . . . 77 VAL HG11 . 16181 1 434 . 1 1 43 43 VAL HG21 H 1 1.138 . . 2 . . . . 77 VAL HG21 . 16181 1 435 . 1 1 43 43 VAL HG22 H 1 1.138 . . 2 . . . . 77 VAL HG21 . 16181 1 436 . 1 1 43 43 VAL HG23 H 1 1.138 . . 2 . . . . 77 VAL HG21 . 16181 1 437 . 1 1 43 43 VAL CA C 13 63.530 . . 1 . . . . 77 VAL CA . 16181 1 438 . 1 1 43 43 VAL CB C 13 30.700 . . 1 . . . . 77 VAL CB . 16181 1 439 . 1 1 43 43 VAL CG1 C 13 19.000 . . 1 . . . . 77 VAL CG1 . 16181 1 440 . 1 1 43 43 VAL CG2 C 13 20.490 . . 1 . . . . 77 VAL CG2 . 16181 1 441 . 1 1 43 43 VAL N N 15 117.339 . . 1 . . . . 77 VAL N . 16181 1 442 . 1 1 44 44 LYS H H 1 7.464 . . 1 . . . . 78 LYS HN . 16181 1 443 . 1 1 44 44 LYS HA H 1 4.110 . . 1 . . . . 78 LYS HA . 16181 1 444 . 1 1 44 44 LYS HB2 H 1 1.950 . . 2 . . . . 78 LYS HB1 . 16181 1 445 . 1 1 44 44 LYS HB3 H 1 2.000 . . 2 . . . . 78 LYS HB2 . 16181 1 446 . 1 1 44 44 LYS HD2 H 1 1.780 . . 2 . . . . 78 LYS HD1 . 16181 1 447 . 1 1 44 44 LYS HD3 H 1 1.810 . . 2 . . . . 78 LYS HD2 . 16181 1 448 . 1 1 44 44 LYS HE2 H 1 2.990 . . 2 . . . . 78 LYS HE1 . 16181 1 449 . 1 1 44 44 LYS HE3 H 1 2.990 . . 2 . . . . 78 LYS HE2 . 16181 1 450 . 1 1 44 44 LYS HG2 H 1 1.450 . . 2 . . . . 78 LYS HG1 . 16181 1 451 . 1 1 44 44 LYS HG3 H 1 1.760 . . 2 . . . . 78 LYS HG2 . 16181 1 452 . 1 1 44 44 LYS CA C 13 58.400 . . 1 . . . . 78 LYS CA . 16181 1 453 . 1 1 44 44 LYS CB C 13 31.430 . . 1 . . . . 78 LYS CB . 16181 1 454 . 1 1 44 44 LYS CD C 13 29.200 . . 1 . . . . 78 LYS CD . 16181 1 455 . 1 1 44 44 LYS CE C 13 40.920 . . 1 . . . . 78 LYS CE . 16181 1 456 . 1 1 44 44 LYS CG C 13 24.850 . . 1 . . . . 78 LYS CG . 16181 1 457 . 1 1 44 44 LYS N N 15 124.308 . . 1 . . . . 78 LYS N . 16181 1 458 . 1 1 45 45 SER H H 1 7.534 . . 1 . . . . 79 SER HN . 16181 1 459 . 1 1 45 45 SER HA H 1 4.071 . . 1 . . . . 79 SER HA . 16181 1 460 . 1 1 45 45 SER HB2 H 1 3.830 . . 2 . . . . 79 SER HB1 . 16181 1 461 . 1 1 45 45 SER HB3 H 1 4.210 . . 2 . . . . 79 SER HB2 . 16181 1 462 . 1 1 45 45 SER CA C 13 59.880 . . 1 . . . . 79 SER CA . 16181 1 463 . 1 1 45 45 SER CB C 13 65.000 . . 1 . . . . 79 SER CB . 16181 1 464 . 1 1 45 45 SER N N 15 114.575 . . 1 . . . . 79 SER N . 16181 1 465 . 1 1 46 46 LYS H H 1 7.822 . . 1 . . . . 80 LYS HN . 16181 1 466 . 1 1 46 46 LYS HA H 1 3.930 . . 1 . . . . 80 LYS HA . 16181 1 467 . 1 1 46 46 LYS HB2 H 1 2.050 . . 2 . . . . 80 LYS HB1 . 16181 1 468 . 1 1 46 46 LYS HB3 H 1 2.200 . . 2 . . . . 80 LYS HB2 . 16181 1 469 . 1 1 46 46 LYS HD2 H 1 1.660 . . 2 . . . . 80 LYS HD1 . 16181 1 470 . 1 1 46 46 LYS HD3 H 1 1.740 . . 2 . . . . 80 LYS HD2 . 16181 1 471 . 1 1 46 46 LYS HE2 H 1 3.020 . . 2 . . . . 80 LYS HE1 . 16181 1 472 . 1 1 46 46 LYS HE3 H 1 3.030 . . 2 . . . . 80 LYS HE2 . 16181 1 473 . 1 1 46 46 LYS HG2 H 1 1.370 . . 2 . . . . 80 LYS HG1 . 16181 1 474 . 1 1 46 46 LYS HG3 H 1 1.480 . . 2 . . . . 80 LYS HG2 . 16181 1 475 . 1 1 46 46 LYS CA C 13 57.000 . . 1 . . . . 80 LYS CA . 16181 1 476 . 1 1 46 46 LYS CB C 13 28.510 . . 1 . . . . 80 LYS CB . 16181 1 477 . 1 1 46 46 LYS CD C 13 27.800 . . 1 . . . . 80 LYS CD . 16181 1 478 . 1 1 46 46 LYS CE C 13 40.920 . . 1 . . . . 80 LYS CE . 16181 1 479 . 1 1 46 46 LYS CG C 13 24.100 . . 1 . . . . 80 LYS CG . 16181 1 480 . 1 1 46 46 LYS N N 15 114.855 . . 1 . . . . 80 LYS N . 16181 1 481 . 1 1 47 47 LEU H H 1 7.505 . . 1 . . . . 81 LEU HN . 16181 1 482 . 1 1 47 47 LEU HA H 1 4.470 . . 1 . . . . 81 LEU HA . 16181 1 483 . 1 1 47 47 LEU HB2 H 1 1.037 . . 2 . . . . 81 LEU HB1 . 16181 1 484 . 1 1 47 47 LEU HB3 H 1 1.550 . . 2 . . . . 81 LEU HB2 . 16181 1 485 . 1 1 47 47 LEU HD11 H 1 0.859 . . 2 . . . . 81 LEU HD11 . 16181 1 486 . 1 1 47 47 LEU HD12 H 1 0.859 . . 2 . . . . 81 LEU HD11 . 16181 1 487 . 1 1 47 47 LEU HD13 H 1 0.859 . . 2 . . . . 81 LEU HD11 . 16181 1 488 . 1 1 47 47 LEU HD21 H 1 0.920 . . 2 . . . . 81 LEU HD21 . 16181 1 489 . 1 1 47 47 LEU HD22 H 1 0.920 . . 2 . . . . 81 LEU HD21 . 16181 1 490 . 1 1 47 47 LEU HD23 H 1 0.920 . . 2 . . . . 81 LEU HD21 . 16181 1 491 . 1 1 47 47 LEU HG H 1 1.560 . . 1 . . . . 81 LEU HG . 16181 1 492 . 1 1 47 47 LEU CA C 13 52.600 . . 1 . . . . 81 LEU CA . 16181 1 493 . 1 1 47 47 LEU CB C 13 40.920 . . 1 . . . . 81 LEU CB . 16181 1 494 . 1 1 47 47 LEU CD1 C 13 25.600 . . 1 . . . . 81 LEU CD1 . 16181 1 495 . 1 1 47 47 LEU CD2 C 13 22.600 . . 1 . . . . 81 LEU CD2 . 16181 1 496 . 1 1 47 47 LEU CG C 13 26.300 . . 1 . . . . 81 LEU CG . 16181 1 497 . 1 1 47 47 LEU N N 15 122.848 . . 1 . . . . 81 LEU N . 16181 1 498 . 1 1 48 48 PRO HA H 1 4.510 . . 1 . . . . 82 PRO HA . 16181 1 499 . 1 1 48 48 PRO HB2 H 1 1.900 . . 2 . . . . 82 PRO HB1 . 16181 1 500 . 1 1 48 48 PRO HB3 H 1 2.560 . . 2 . . . . 82 PRO HB2 . 16181 1 501 . 1 1 48 48 PRO HD2 H 1 3.330 . . 2 . . . . 82 PRO HD1 . 16181 1 502 . 1 1 48 48 PRO HD3 H 1 3.960 . . 2 . . . . 82 PRO HD2 . 16181 1 503 . 1 1 48 48 PRO HG2 H 1 2.070 . . 2 . . . . 82 PRO HG1 . 16181 1 504 . 1 1 48 48 PRO HG3 H 1 2.160 . . 2 . . . . 82 PRO HG2 . 16181 1 505 . 1 1 48 48 PRO CA C 13 61.340 . . 1 . . . . 82 PRO CA . 16181 1 506 . 1 1 48 48 PRO CB C 13 32.100 . . 1 . . . . 82 PRO CB . 16181 1 507 . 1 1 48 48 PRO CD C 13 48.940 . . 1 . . . . 82 PRO CD . 16181 1 508 . 1 1 48 48 PRO CG C 13 27.060 . . 1 . . . . 82 PRO CG . 16181 1 509 . 1 1 49 49 ASN H H 1 7.580 . . 1 . . . . 83 ASN HN . 16181 1 510 . 1 1 49 49 ASN HA H 1 4.240 . . 1 . . . . 83 ASN HA . 16181 1 511 . 1 1 49 49 ASN HB2 H 1 2.900 . . 2 . . . . 83 ASN HB1 . 16181 1 512 . 1 1 49 49 ASN HB3 H 1 2.900 . . 2 . . . . 83 ASN HB2 . 16181 1 513 . 1 1 49 49 ASN HD21 H 1 7.700 . . 2 . . . . 83 ASN HD21 . 16181 1 514 . 1 1 49 49 ASN HD22 H 1 6.970 . . 2 . . . . 83 ASN HD22 . 16181 1 515 . 1 1 49 49 ASN CA C 13 56.200 . . 1 . . . . 83 ASN CA . 16181 1 516 . 1 1 49 49 ASN CB C 13 37.270 . . 1 . . . . 83 ASN CB . 16181 1 517 . 1 1 49 49 ASN ND2 N 15 115.261 . . 1 . . . . 83 ASN ND2 . 16181 1 518 . 1 1 50 50 THR H H 1 7.010 . . 1 . . . . 84 THR HN . 16181 1 519 . 1 1 50 50 THR HA H 1 4.030 . . 1 . . . . 84 THR HA . 16181 1 520 . 1 1 50 50 THR HB H 1 4.140 . . 1 . . . . 84 THR HB . 16181 1 521 . 1 1 50 50 THR HG21 H 1 1.316 . . 1 . . . . 84 THR HG21 . 16181 1 522 . 1 1 50 50 THR HG22 H 1 1.316 . . 1 . . . . 84 THR HG21 . 16181 1 523 . 1 1 50 50 THR HG23 H 1 1.316 . . 1 . . . . 84 THR HG21 . 16181 1 524 . 1 1 50 50 THR CA C 13 63.500 . . 1 . . . . 84 THR CA . 16181 1 525 . 1 1 50 50 THR CB C 13 67.170 . . 1 . . . . 84 THR CB . 16181 1 526 . 1 1 50 50 THR CG2 C 13 21.950 . . 1 . . . . 84 THR CG2 . 16181 1 527 . 1 1 51 51 VAL H H 1 6.887 . . 1 . . . . 85 VAL HN . 16181 1 528 . 1 1 51 51 VAL HA H 1 3.650 . . 1 . . . . 85 VAL HA . 16181 1 529 . 1 1 51 51 VAL HB H 1 2.110 . . 1 . . . . 85 VAL HB . 16181 1 530 . 1 1 51 51 VAL HG11 H 1 0.964 . . 2 . . . . 85 VAL HG11 . 16181 1 531 . 1 1 51 51 VAL HG12 H 1 0.964 . . 2 . . . . 85 VAL HG11 . 16181 1 532 . 1 1 51 51 VAL HG13 H 1 0.964 . . 2 . . . . 85 VAL HG11 . 16181 1 533 . 1 1 51 51 VAL HG21 H 1 1.091 . . 2 . . . . 85 VAL HG21 . 16181 1 534 . 1 1 51 51 VAL HG22 H 1 1.091 . . 2 . . . . 85 VAL HG21 . 16181 1 535 . 1 1 51 51 VAL HG23 H 1 1.091 . . 2 . . . . 85 VAL HG21 . 16181 1 536 . 1 1 51 51 VAL CA C 13 64.200 . . 1 . . . . 85 VAL CA . 16181 1 537 . 1 1 51 51 VAL CB C 13 30.700 . . 1 . . . . 85 VAL CB . 16181 1 538 . 1 1 51 51 VAL CG1 C 13 21.950 . . 1 . . . . 85 VAL CG1 . 16181 1 539 . 1 1 51 51 VAL CG2 C 13 21.950 . . 1 . . . . 85 VAL CG2 . 16181 1 540 . 1 1 51 51 VAL N N 15 125.031 . . 1 . . . . 85 VAL N . 16181 1 541 . 1 1 52 52 LEU H H 1 8.043 . . 1 . . . . 86 LEU HN . 16181 1 542 . 1 1 52 52 LEU HA H 1 3.730 . . 1 . . . . 86 LEU HA . 16181 1 543 . 1 1 52 52 LEU HB2 H 1 0.550 . . 2 . . . . 86 LEU HB1 . 16181 1 544 . 1 1 52 52 LEU HB3 H 1 1.370 . . 2 . . . . 86 LEU HB2 . 16181 1 545 . 1 1 52 52 LEU HD11 H 1 0.750 . . 2 . . . . 86 LEU HD11 . 16181 1 546 . 1 1 52 52 LEU HD12 H 1 0.750 . . 2 . . . . 86 LEU HD11 . 16181 1 547 . 1 1 52 52 LEU HD13 H 1 0.750 . . 2 . . . . 86 LEU HD11 . 16181 1 548 . 1 1 52 52 LEU HD21 H 1 0.680 . . 2 . . . . 86 LEU HD21 . 16181 1 549 . 1 1 52 52 LEU HD22 H 1 0.680 . . 2 . . . . 86 LEU HD21 . 16181 1 550 . 1 1 52 52 LEU HD23 H 1 0.680 . . 2 . . . . 86 LEU HD21 . 16181 1 551 . 1 1 52 52 LEU HG H 1 1.440 . . 1 . . . . 86 LEU HG . 16181 1 552 . 1 1 52 52 LEU CA C 13 56.960 . . 1 . . . . 86 LEU CA . 16181 1 553 . 1 1 52 52 LEU CB C 13 39.430 . . 1 . . . . 86 LEU CB . 16181 1 554 . 1 1 52 52 LEU CD1 C 13 25.600 . . 1 . . . . 86 LEU CD1 . 16181 1 555 . 1 1 52 52 LEU CD2 C 13 21.970 . . 1 . . . . 86 LEU CD2 . 16181 1 556 . 1 1 52 52 LEU CG C 13 24.800 . . 1 . . . . 86 LEU CG . 16181 1 557 . 1 1 52 52 LEU N N 15 121.307 . . 1 . . . . 86 LEU N . 16181 1 558 . 1 1 53 53 GLY H H 1 8.420 . . 1 . . . . 87 GLY HN . 16181 1 559 . 1 1 53 53 GLY HA2 H 1 3.890 . . 2 . . . . 87 GLY HA1 . 16181 1 560 . 1 1 53 53 GLY HA3 H 1 3.980 . . 2 . . . . 87 GLY HA2 . 16181 1 561 . 1 1 53 53 GLY CA C 13 46.020 . . 1 . . . . 87 GLY CA . 16181 1 562 . 1 1 53 53 GLY N N 15 108.274 . . 1 . . . . 87 GLY N . 16181 1 563 . 1 1 54 54 LYS H H 1 7.327 . . 1 . . . . 88 LYS HN . 16181 1 564 . 1 1 54 54 LYS HA H 1 4.130 . . 1 . . . . 88 LYS HA . 16181 1 565 . 1 1 54 54 LYS HB2 H 1 1.920 . . 2 . . . . 88 LYS HB1 . 16181 1 566 . 1 1 54 54 LYS HB3 H 1 2.044 . . 2 . . . . 88 LYS HB2 . 16181 1 567 . 1 1 54 54 LYS HD2 H 1 1.690 . . 2 . . . . 88 LYS HD1 . 16181 1 568 . 1 1 54 54 LYS HD3 H 1 1.690 . . 2 . . . . 88 LYS HD2 . 16181 1 569 . 1 1 54 54 LYS HE2 H 1 2.960 . . 2 . . . . 88 LYS HE1 . 16181 1 570 . 1 1 54 54 LYS HE3 H 1 2.960 . . 2 . . . . 88 LYS HE2 . 16181 1 571 . 1 1 54 54 LYS HG2 H 1 1.440 . . 2 . . . . 88 LYS HG1 . 16181 1 572 . 1 1 54 54 LYS HG3 H 1 1.620 . . 2 . . . . 88 LYS HG2 . 16181 1 573 . 1 1 54 54 LYS CA C 13 58.420 . . 1 . . . . 88 LYS CA . 16181 1 574 . 1 1 54 54 LYS CB C 13 31.430 . . 1 . . . . 88 LYS CB . 16181 1 575 . 1 1 54 54 LYS CD C 13 28.500 . . 1 . . . . 88 LYS CD . 16181 1 576 . 1 1 54 54 LYS CE C 13 40.920 . . 1 . . . . 88 LYS CE . 16181 1 577 . 1 1 54 54 LYS CG C 13 24.870 . . 1 . . . . 88 LYS CG . 16181 1 578 . 1 1 54 54 LYS N N 15 125.389 . . 1 . . . . 88 LYS N . 16181 1 579 . 1 1 55 55 ILE H H 1 8.075 . . 1 . . . . 89 ILE HN . 16181 1 580 . 1 1 55 55 ILE HA H 1 3.470 . . 1 . . . . 89 ILE HA . 16181 1 581 . 1 1 55 55 ILE HB H 1 1.864 . . 1 . . . . 89 ILE HB . 16181 1 582 . 1 1 55 55 ILE HD11 H 1 0.630 . . 1 . . . . 89 ILE HD11 . 16181 1 583 . 1 1 55 55 ILE HD12 H 1 0.630 . . 1 . . . . 89 ILE HD11 . 16181 1 584 . 1 1 55 55 ILE HD13 H 1 0.630 . . 1 . . . . 89 ILE HD11 . 16181 1 585 . 1 1 55 55 ILE HG12 H 1 0.716 . . 1 . . . . 89 ILE HG11 . 16181 1 586 . 1 1 55 55 ILE HG13 H 1 1.890 . . 1 . . . . 89 ILE HG12 . 16181 1 587 . 1 1 55 55 ILE HG21 H 1 0.902 . . 2 . . . . 89 ILE HG21 . 16181 1 588 . 1 1 55 55 ILE HG22 H 1 0.902 . . 2 . . . . 89 ILE HG21 . 16181 1 589 . 1 1 55 55 ILE HG23 H 1 0.902 . . 2 . . . . 89 ILE HG21 . 16181 1 590 . 1 1 55 55 ILE CA C 13 65.720 . . 1 . . . . 89 ILE CA . 16181 1 591 . 1 1 55 55 ILE CB C 13 36.540 . . 1 . . . . 89 ILE CB . 16181 1 592 . 1 1 55 55 ILE CD1 C 13 13.210 . . 1 . . . . 89 ILE CD1 . 16181 1 593 . 1 1 55 55 ILE CG1 C 13 29.970 . . 2 . . . . 89 ILE CG1 . 16181 1 594 . 1 1 55 55 ILE CG2 C 13 16.870 . . 1 . . . . 89 ILE CG2 . 16181 1 595 . 1 1 55 55 ILE N N 15 122.261 . . 1 . . . . 89 ILE N . 16181 1 596 . 1 1 56 56 TRP H H 1 8.706 . . 1 . . . . 90 TRP HN . 16181 1 597 . 1 1 56 56 TRP HA H 1 3.810 . . 1 . . . . 90 TRP HA . 16181 1 598 . 1 1 56 56 TRP HB2 H 1 3.370 . . 2 . . . . 90 TRP HB1 . 16181 1 599 . 1 1 56 56 TRP HB3 H 1 3.530 . . 2 . . . . 90 TRP HB2 . 16181 1 600 . 1 1 56 56 TRP HD1 H 1 7.160 . . 1 . . . . 90 TRP HD1 . 16181 1 601 . 1 1 56 56 TRP HE1 H 1 10.530 . . 3 . . . . 90 TRP HE1 . 16181 1 602 . 1 1 56 56 TRP HE3 H 1 7.360 . . 3 . . . . 90 TRP HE3 . 16181 1 603 . 1 1 56 56 TRP HH2 H 1 6.780 . . 1 . . . . 90 TRP HH2 . 16181 1 604 . 1 1 56 56 TRP HZ2 H 1 7.160 . . 3 . . . . 90 TRP HZ2 . 16181 1 605 . 1 1 56 56 TRP HZ3 H 1 6.870 . . 3 . . . . 90 TRP HZ3 . 16181 1 606 . 1 1 56 56 TRP CA C 13 60.610 . . 1 . . . . 90 TRP CA . 16181 1 607 . 1 1 56 56 TRP CB C 13 27.790 . . 1 . . . . 90 TRP CB . 16181 1 608 . 1 1 56 56 TRP CD1 C 13 124.380 . . 3 . . . . 90 TRP CD1 . 16181 1 609 . 1 1 56 56 TRP CE3 C 13 115.400 . . 3 . . . . 90 TRP CE3 . 16181 1 610 . 1 1 56 56 TRP CH2 C 13 120.300 . . 1 . . . . 90 TRP CH2 . 16181 1 611 . 1 1 56 56 TRP CZ2 C 13 111.400 . . 3 . . . . 90 TRP CZ2 . 16181 1 612 . 1 1 56 56 TRP CZ3 C 13 118.300 . . 3 . . . . 90 TRP CZ3 . 16181 1 613 . 1 1 56 56 TRP N N 15 121.947 . . 1 . . . . 90 TRP N . 16181 1 614 . 1 1 56 56 TRP NE1 N 15 132.824 . . 1 . . . . 90 TRP NE1 . 16181 1 615 . 1 1 57 57 LYS H H 1 7.581 . . 1 . . . . 91 LYS HN . 16181 1 616 . 1 1 57 57 LYS HA H 1 3.960 . . 1 . . . . 91 LYS HA . 16181 1 617 . 1 1 57 57 LYS HB2 H 1 1.960 . . 2 . . . . 91 LYS HB1 . 16181 1 618 . 1 1 57 57 LYS HB3 H 1 2.024 . . 2 . . . . 91 LYS HB2 . 16181 1 619 . 1 1 57 57 LYS HD2 H 1 1.760 . . 2 . . . . 91 LYS HD1 . 16181 1 620 . 1 1 57 57 LYS HD3 H 1 1.760 . . 2 . . . . 91 LYS HD2 . 16181 1 621 . 1 1 57 57 LYS HE2 H 1 2.960 . . 2 . . . . 91 LYS HE1 . 16181 1 622 . 1 1 57 57 LYS HE3 H 1 3.030 . . 2 . . . . 91 LYS HE2 . 16181 1 623 . 1 1 57 57 LYS HG2 H 1 1.560 . . 2 . . . . 91 LYS HG1 . 16181 1 624 . 1 1 57 57 LYS HG3 H 1 1.660 . . 2 . . . . 91 LYS HG2 . 16181 1 625 . 1 1 57 57 LYS CA C 13 58.420 . . 1 . . . . 91 LYS CA . 16181 1 626 . 1 1 57 57 LYS CB C 13 31.430 . . 1 . . . . 91 LYS CB . 16181 1 627 . 1 1 57 57 LYS CD C 13 28.500 . . 1 . . . . 91 LYS CD . 16181 1 628 . 1 1 57 57 LYS CE C 13 41.200 . . 1 . . . . 91 LYS CE . 16181 1 629 . 1 1 57 57 LYS CG C 13 24.870 . . 1 . . . . 91 LYS CG . 16181 1 630 . 1 1 57 57 LYS N N 15 116.801 . . 1 . . . . 91 LYS N . 16181 1 631 . 1 1 58 58 LEU H H 1 7.571 . . 1 . . . . 92 LEU HN . 16181 1 632 . 1 1 58 58 LEU HA H 1 3.990 . . 1 . . . . 92 LEU HA . 16181 1 633 . 1 1 58 58 LEU HB2 H 1 1.084 . . 2 . . . . 92 LEU HB1 . 16181 1 634 . 1 1 58 58 LEU HB3 H 1 1.970 . . 2 . . . . 92 LEU HB2 . 16181 1 635 . 1 1 58 58 LEU HD11 H 1 0.860 . . 2 . . . . 92 LEU HD11 . 16181 1 636 . 1 1 58 58 LEU HD12 H 1 0.860 . . 2 . . . . 92 LEU HD11 . 16181 1 637 . 1 1 58 58 LEU HD13 H 1 0.860 . . 2 . . . . 92 LEU HD11 . 16181 1 638 . 1 1 58 58 LEU HD21 H 1 0.682 . . 2 . . . . 92 LEU HD21 . 16181 1 639 . 1 1 58 58 LEU HD22 H 1 0.682 . . 2 . . . . 92 LEU HD21 . 16181 1 640 . 1 1 58 58 LEU HD23 H 1 0.682 . . 2 . . . . 92 LEU HD21 . 16181 1 641 . 1 1 58 58 LEU HG H 1 1.800 . . 1 . . . . 92 LEU HG . 16181 1 642 . 1 1 58 58 LEU CA C 13 56.200 . . 1 . . . . 92 LEU CA . 16181 1 643 . 1 1 58 58 LEU CB C 13 43.100 . . 1 . . . . 92 LEU CB . 16181 1 644 . 1 1 58 58 LEU CD1 C 13 25.600 . . 1 . . . . 92 LEU CD1 . 16181 1 645 . 1 1 58 58 LEU CD2 C 13 21.950 . . 1 . . . . 92 LEU CD2 . 16181 1 646 . 1 1 58 58 LEU CG C 13 26.300 . . 1 . . . . 92 LEU CG . 16181 1 647 . 1 1 58 58 LEU N N 15 119.520 . . 1 . . . . 92 LEU N . 16181 1 648 . 1 1 59 59 ALA H H 1 8.135 . . 1 . . . . 93 ALA HN . 16181 1 649 . 1 1 59 59 ALA HA H 1 4.120 . . 1 . . . . 93 ALA HA . 16181 1 650 . 1 1 59 59 ALA HB1 H 1 1.170 . . 1 . . . . 93 ALA HB1 . 16181 1 651 . 1 1 59 59 ALA HB2 H 1 1.170 . . 1 . . . . 93 ALA HB1 . 16181 1 652 . 1 1 59 59 ALA HB3 H 1 1.170 . . 1 . . . . 93 ALA HB1 . 16181 1 653 . 1 1 59 59 ALA CA C 13 52.590 . . 1 . . . . 93 ALA CA . 16181 1 654 . 1 1 59 59 ALA CB C 13 18.300 . . 1 . . . . 93 ALA CB . 16181 1 655 . 1 1 59 59 ALA N N 15 120.126 . . 1 . . . . 93 ALA N . 16181 1 656 . 1 1 60 60 ASP H H 1 7.530 . . 1 . . . . 94 ASP HN . 16181 1 657 . 1 1 60 60 ASP HA H 1 4.540 . . 1 . . . . 94 ASP HA . 16181 1 658 . 1 1 60 60 ASP HB2 H 1 1.210 . . 2 . . . . 94 ASP HB1 . 16181 1 659 . 1 1 60 60 ASP HB3 H 1 2.280 . . 2 . . . . 94 ASP HB2 . 16181 1 660 . 1 1 60 60 ASP CA C 13 51.100 . . 1 . . . . 94 ASP CA . 16181 1 661 . 1 1 60 60 ASP CB C 13 35.840 . . 1 . . . . 94 ASP CB . 16181 1 662 . 1 1 60 60 ASP N N 15 115.380 . . 1 . . . . 94 ASP N . 16181 1 663 . 1 1 61 61 VAL H H 1 8.340 . . 1 . . . . 95 VAL HN . 16181 1 664 . 1 1 61 61 VAL HA H 1 3.500 . . 1 . . . . 95 VAL HA . 16181 1 665 . 1 1 61 61 VAL HB H 1 1.810 . . 1 . . . . 95 VAL HB . 16181 1 666 . 1 1 61 61 VAL HG11 H 1 0.929 . . 2 . . . . 95 VAL HG11 . 16181 1 667 . 1 1 61 61 VAL HG12 H 1 0.929 . . 2 . . . . 95 VAL HG11 . 16181 1 668 . 1 1 61 61 VAL HG13 H 1 0.929 . . 2 . . . . 95 VAL HG11 . 16181 1 669 . 1 1 61 61 VAL HG21 H 1 1.067 . . 2 . . . . 95 VAL HG21 . 16181 1 670 . 1 1 61 61 VAL HG22 H 1 1.067 . . 2 . . . . 95 VAL HG21 . 16181 1 671 . 1 1 61 61 VAL HG23 H 1 1.067 . . 2 . . . . 95 VAL HG21 . 16181 1 672 . 1 1 61 61 VAL CA C 13 65.000 . . 1 . . . . 95 VAL CA . 16181 1 673 . 1 1 61 61 VAL CB C 13 31.430 . . 1 . . . . 95 VAL CB . 16181 1 674 . 1 1 61 61 VAL CG1 C 13 21.220 . . 1 . . . . 95 VAL CG1 . 16181 1 675 . 1 1 61 61 VAL CG2 C 13 21.900 . . 1 . . . . 95 VAL CG2 . 16181 1 676 . 1 1 61 61 VAL N N 15 129.560 . . 1 . . . . 95 VAL N . 16181 1 677 . 1 1 62 62 ASP H H 1 7.927 . . 1 . . . . 96 ASP HN . 16181 1 678 . 1 1 62 62 ASP HA H 1 4.530 . . 1 . . . . 96 ASP HA . 16181 1 679 . 1 1 62 62 ASP HB2 H 1 2.310 . . 2 . . . . 96 ASP HB1 . 16181 1 680 . 1 1 62 62 ASP HB3 H 1 3.100 . . 2 . . . . 96 ASP HB2 . 16181 1 681 . 1 1 62 62 ASP CA C 13 51.800 . . 1 . . . . 96 ASP CA . 16181 1 682 . 1 1 62 62 ASP CB C 13 38.700 . . 1 . . . . 96 ASP CB . 16181 1 683 . 1 1 62 62 ASP N N 15 115.789 . . 1 . . . . 96 ASP N . 16181 1 684 . 1 1 63 63 LYS H H 1 7.551 . . 1 . . . . 97 LYS HN . 16181 1 685 . 1 1 63 63 LYS HA H 1 3.860 . . 1 . . . . 97 LYS HA . 16181 1 686 . 1 1 63 63 LYS HB2 H 1 1.970 . . 2 . . . . 97 LYS HB1 . 16181 1 687 . 1 1 63 63 LYS HB3 H 1 1.970 . . 2 . . . . 97 LYS HB2 . 16181 1 688 . 1 1 63 63 LYS HD2 H 1 1.660 . . 2 . . . . 97 LYS HD1 . 16181 1 689 . 1 1 63 63 LYS HD3 H 1 1.760 . . 2 . . . . 97 LYS HD2 . 16181 1 690 . 1 1 63 63 LYS HE2 H 1 3.060 . . 2 . . . . 97 LYS HE1 . 16181 1 691 . 1 1 63 63 LYS HE3 H 1 3.060 . . 2 . . . . 97 LYS HE2 . 16181 1 692 . 1 1 63 63 LYS HG2 H 1 1.370 . . 2 . . . . 97 LYS HG1 . 16181 1 693 . 1 1 63 63 LYS HG3 H 1 1.370 . . 2 . . . . 97 LYS HG2 . 16181 1 694 . 1 1 63 63 LYS CA C 13 56.960 . . 1 . . . . 97 LYS CA . 16181 1 695 . 1 1 63 63 LYS CB C 13 28.520 . . 1 . . . . 97 LYS CB . 16181 1 696 . 1 1 63 63 LYS CD C 13 28.520 . . 1 . . . . 97 LYS CD . 16181 1 697 . 1 1 63 63 LYS CE C 13 40.920 . . 1 . . . . 97 LYS CE . 16181 1 698 . 1 1 63 63 LYS CG C 13 24.140 . . 1 . . . . 97 LYS CG . 16181 1 699 . 1 1 63 63 LYS N N 15 115.740 . . 1 . . . . 97 LYS N . 16181 1 700 . 1 1 64 64 ASP H H 1 8.363 . . 1 . . . . 98 ASP HN . 16181 1 701 . 1 1 64 64 ASP HA H 1 4.660 . . 1 . . . . 98 ASP HA . 16181 1 702 . 1 1 64 64 ASP HB2 H 1 2.440 . . 2 . . . . 98 ASP HB1 . 16181 1 703 . 1 1 64 64 ASP HB3 H 1 3.010 . . 2 . . . . 98 ASP HB2 . 16181 1 704 . 1 1 64 64 ASP CA C 13 52.600 . . 1 . . . . 98 ASP CA . 16181 1 705 . 1 1 64 64 ASP CB C 13 40.190 . . 1 . . . . 98 ASP CB . 16181 1 706 . 1 1 64 64 ASP N N 15 120.463 . . 1 . . . . 98 ASP N . 16181 1 707 . 1 1 65 65 GLY H H 1 10.641 . . 1 . . . . 99 GLY HN . 16181 1 708 . 1 1 65 65 GLY HA2 H 1 3.850 . . 2 . . . . 99 GLY HA1 . 16181 1 709 . 1 1 65 65 GLY HA3 H 1 4.322 . . 2 . . . . 99 GLY HA2 . 16181 1 710 . 1 1 65 65 GLY CA C 13 44.800 . . 1 . . . . 99 GLY CA . 16181 1 711 . 1 1 65 65 GLY N N 15 115.730 . . 1 . . . . 99 GLY N . 16181 1 712 . 1 1 66 66 LEU H H 1 8.157 . . 1 . . . . 100 LEU HN . 16181 1 713 . 1 1 66 66 LEU HA H 1 5.120 . . 1 . . . . 100 LEU HA . 16181 1 714 . 1 1 66 66 LEU HB2 H 1 1.530 . . 2 . . . . 100 LEU HB1 . 16181 1 715 . 1 1 66 66 LEU HB3 H 1 1.670 . . 2 . . . . 100 LEU HB2 . 16181 1 716 . 1 1 66 66 LEU HD11 H 1 0.820 . . 2 . . . . 100 LEU HD11 . 16181 1 717 . 1 1 66 66 LEU HD12 H 1 0.820 . . 2 . . . . 100 LEU HD11 . 16181 1 718 . 1 1 66 66 LEU HD13 H 1 0.820 . . 2 . . . . 100 LEU HD11 . 16181 1 719 . 1 1 66 66 LEU HD21 H 1 0.890 . . 2 . . . . 100 LEU HD21 . 16181 1 720 . 1 1 66 66 LEU HD22 H 1 0.890 . . 2 . . . . 100 LEU HD21 . 16181 1 721 . 1 1 66 66 LEU HD23 H 1 0.890 . . 2 . . . . 100 LEU HD21 . 16181 1 722 . 1 1 66 66 LEU HG H 1 1.550 . . 1 . . . . 100 LEU HG . 16181 1 723 . 1 1 66 66 LEU CA C 13 52.600 . . 1 . . . . 100 LEU CA . 16181 1 724 . 1 1 66 66 LEU CB C 13 44.600 . . 1 . . . . 100 LEU CB . 16181 1 725 . 1 1 66 66 LEU CD1 C 13 24.900 . . 1 . . . . 100 LEU CD1 . 16181 1 726 . 1 1 66 66 LEU CD2 C 13 24.100 . . 1 . . . . 100 LEU CD2 . 16181 1 727 . 1 1 66 66 LEU CG C 13 27.000 . . 1 . . . . 100 LEU CG . 16181 1 728 . 1 1 66 66 LEU N N 15 123.435 . . 1 . . . . 100 LEU N . 16181 1 729 . 1 1 67 67 LEU H H 1 8.687 . . 1 . . . . 101 LEU HN . 16181 1 730 . 1 1 67 67 LEU HA H 1 5.800 . . 1 . . . . 101 LEU HA . 16181 1 731 . 1 1 67 67 LEU HB2 H 1 1.560 . . 2 . . . . 101 LEU HB1 . 16181 1 732 . 1 1 67 67 LEU HB3 H 1 1.900 . . 2 . . . . 101 LEU HB2 . 16181 1 733 . 1 1 67 67 LEU HD11 H 1 0.861 . . 2 . . . . 101 LEU HD11 . 16181 1 734 . 1 1 67 67 LEU HD12 H 1 0.861 . . 2 . . . . 101 LEU HD11 . 16181 1 735 . 1 1 67 67 LEU HD13 H 1 0.861 . . 2 . . . . 101 LEU HD11 . 16181 1 736 . 1 1 67 67 LEU HD21 H 1 0.012 . . 2 . . . . 101 LEU HD21 . 16181 1 737 . 1 1 67 67 LEU HD22 H 1 0.012 . . 2 . . . . 101 LEU HD21 . 16181 1 738 . 1 1 67 67 LEU HD23 H 1 0.012 . . 2 . . . . 101 LEU HD21 . 16181 1 739 . 1 1 67 67 LEU HG H 1 1.560 . . 1 . . . . 101 LEU HG . 16181 1 740 . 1 1 67 67 LEU CA C 13 51.860 . . 1 . . . . 101 LEU CA . 16181 1 741 . 1 1 67 67 LEU CB C 13 42.370 . . 1 . . . . 101 LEU CB . 16181 1 742 . 1 1 67 67 LEU CD1 C 13 26.300 . . 1 . . . . 101 LEU CD1 . 16181 1 743 . 1 1 67 67 LEU CD2 C 13 20.500 . . 1 . . . . 101 LEU CD2 . 16181 1 744 . 1 1 67 67 LEU CG C 13 25.600 . . 1 . . . . 101 LEU CG . 16181 1 745 . 1 1 67 67 LEU N N 15 121.109 . . 1 . . . . 101 LEU N . 16181 1 746 . 1 1 68 68 ASP H H 1 9.229 . . 1 . . . . 102 ASP HN . 16181 1 747 . 1 1 68 68 ASP HA H 1 5.610 . . 1 . . . . 102 ASP HA . 16181 1 748 . 1 1 68 68 ASP HB2 H 1 2.590 . . 2 . . . . 102 ASP HB1 . 16181 1 749 . 1 1 68 68 ASP HB3 H 1 3.280 . . 2 . . . . 102 ASP HB2 . 16181 1 750 . 1 1 68 68 ASP CA C 13 51.130 . . 1 . . . . 102 ASP CA . 16181 1 751 . 1 1 68 68 ASP CB C 13 40.190 . . 1 . . . . 102 ASP CB . 16181 1 752 . 1 1 68 68 ASP N N 15 124.386 . . 1 . . . . 102 ASP N . 16181 1 753 . 1 1 69 69 ASP H H 1 8.529 . . 1 . . . . 103 ASP HN . 16181 1 754 . 1 1 69 69 ASP HA H 1 2.830 . . 1 . . . . 103 ASP HA . 16181 1 755 . 1 1 69 69 ASP HB2 H 1 1.700 . . 2 . . . . 103 ASP HB1 . 16181 1 756 . 1 1 69 69 ASP HB3 H 1 2.066 . . 2 . . . . 103 ASP HB2 . 16181 1 757 . 1 1 69 69 ASP CA C 13 56.230 . . 1 . . . . 103 ASP CA . 16181 1 758 . 1 1 69 69 ASP CB C 13 37.238 . . 1 . . . . 103 ASP CB . 16181 1 759 . 1 1 69 69 ASP N N 15 117.423 . . 1 . . . . 103 ASP N . 16181 1 760 . 1 1 70 70 GLU H H 1 7.991 . . 1 . . . . 104 GLU HN . 16181 1 761 . 1 1 70 70 GLU HA H 1 4.061 . . 1 . . . . 104 GLU HA . 16181 1 762 . 1 1 70 70 GLU HB2 H 1 1.810 . . 2 . . . . 104 GLU HB1 . 16181 1 763 . 1 1 70 70 GLU HB3 H 1 2.130 . . 2 . . . . 104 GLU HB2 . 16181 1 764 . 1 1 70 70 GLU HG2 H 1 2.000 . . 2 . . . . 104 GLU HG1 . 16181 1 765 . 1 1 70 70 GLU HG3 H 1 2.500 . . 2 . . . . 104 GLU HG2 . 16181 1 766 . 1 1 70 70 GLU CA C 13 59.130 . . 1 . . . . 104 GLU CA . 16181 1 767 . 1 1 70 70 GLU CB C 13 29.134 . . 1 . . . . 104 GLU CB . 16181 1 768 . 1 1 70 70 GLU CG C 13 36.500 . . 1 . . . . 104 GLU CG . 16181 1 769 . 1 1 70 70 GLU N N 15 124.895 . . 1 . . . . 104 GLU N . 16181 1 770 . 1 1 71 71 GLU H H 1 8.742 . . 1 . . . . 105 GLU HN . 16181 1 771 . 1 1 71 71 GLU HA H 1 4.000 . . 1 . . . . 105 GLU HA . 16181 1 772 . 1 1 71 71 GLU HB2 H 1 2.210 . . 2 . . . . 105 GLU HB1 . 16181 1 773 . 1 1 71 71 GLU HB3 H 1 2.460 . . 2 . . . . 105 GLU HB2 . 16181 1 774 . 1 1 71 71 GLU HG2 H 1 2.330 . . 2 . . . . 105 GLU HG1 . 16181 1 775 . 1 1 71 71 GLU HG3 H 1 2.910 . . 2 . . . . 105 GLU HG2 . 16181 1 776 . 1 1 71 71 GLU CA C 13 59.150 . . 1 . . . . 105 GLU CA . 16181 1 777 . 1 1 71 71 GLU CB C 13 30.700 . . 1 . . . . 105 GLU CB . 16181 1 778 . 1 1 71 71 GLU CG C 13 36.540 . . 1 . . . . 105 GLU CG . 16181 1 779 . 1 1 71 71 GLU N N 15 123.465 . . 1 . . . . 105 GLU N . 16181 1 780 . 1 1 72 72 PHE H H 1 9.426 . . 1 . . . . 106 PHE HN . 16181 1 781 . 1 1 72 72 PHE HA H 1 4.230 . . 1 . . . . 106 PHE HA . 16181 1 782 . 1 1 72 72 PHE HB2 H 1 3.010 . . 2 . . . . 106 PHE HB1 . 16181 1 783 . 1 1 72 72 PHE HB3 H 1 3.200 . . 2 . . . . 106 PHE HB2 . 16181 1 784 . 1 1 72 72 PHE HD1 H 1 7.610 . . 3 . . . . 106 PHE HD1 . 16181 1 785 . 1 1 72 72 PHE HD2 H 1 7.610 . . 3 . . . . 106 PHE HD2 . 16181 1 786 . 1 1 72 72 PHE HE1 H 1 7.430 . . 3 . . . . 106 PHE HE1 . 16181 1 787 . 1 1 72 72 PHE HE2 H 1 7.430 . . 3 . . . . 106 PHE HE2 . 16181 1 788 . 1 1 72 72 PHE HZ H 1 7.250 . . 1 . . . . 106 PHE HZ . 16181 1 789 . 1 1 72 72 PHE CA C 13 59.900 . . 1 . . . . 106 PHE CA . 16181 1 790 . 1 1 72 72 PHE CB C 13 38.730 . . 1 . . . . 106 PHE CB . 16181 1 791 . 1 1 72 72 PHE CD1 C 13 130.240 . . 3 . . . . 106 PHE CD1 . 16181 1 792 . 1 1 72 72 PHE CD2 C 13 130.240 . . 3 . . . . 106 PHE CD2 . 16181 1 793 . 1 1 72 72 PHE CE1 C 13 128.200 . . 3 . . . . 106 PHE CE1 . 16181 1 794 . 1 1 72 72 PHE CE2 C 13 128.200 . . 3 . . . . 106 PHE CE2 . 16181 1 795 . 1 1 72 72 PHE CZ C 13 126.650 . . 1 . . . . 106 PHE CZ . 16181 1 796 . 1 1 72 72 PHE N N 15 120.806 . . 1 . . . . 106 PHE N . 16181 1 797 . 1 1 73 73 ALA H H 1 8.085 . . 1 . . . . 107 ALA HN . 16181 1 798 . 1 1 73 73 ALA HA H 1 3.770 . . 1 . . . . 107 ALA HA . 16181 1 799 . 1 1 73 73 ALA HB1 H 1 1.830 . . 1 . . . . 107 ALA HB1 . 16181 1 800 . 1 1 73 73 ALA HB2 H 1 1.830 . . 1 . . . . 107 ALA HB1 . 16181 1 801 . 1 1 73 73 ALA HB3 H 1 1.830 . . 1 . . . . 107 ALA HB1 . 16181 1 802 . 1 1 73 73 ALA CA C 13 54.040 . . 1 . . . . 107 ALA CA . 16181 1 803 . 1 1 73 73 ALA CB C 13 16.870 . . 1 . . . . 107 ALA CB . 16181 1 804 . 1 1 73 73 ALA N N 15 126.845 . . 1 . . . . 107 ALA N . 16181 1 805 . 1 1 74 74 LEU H H 1 8.431 . . 1 . . . . 108 LEU HN . 16181 1 806 . 1 1 74 74 LEU HA H 1 4.050 . . 1 . . . . 108 LEU HA . 16181 1 807 . 1 1 74 74 LEU HB2 H 1 1.790 . . 2 . . . . 108 LEU HB1 . 16181 1 808 . 1 1 74 74 LEU HB3 H 1 2.580 . . 2 . . . . 108 LEU HB2 . 16181 1 809 . 1 1 74 74 LEU HD11 H 1 1.216 . . 2 . . . . 108 LEU HD11 . 16181 1 810 . 1 1 74 74 LEU HD12 H 1 1.216 . . 2 . . . . 108 LEU HD11 . 16181 1 811 . 1 1 74 74 LEU HD13 H 1 1.216 . . 2 . . . . 108 LEU HD11 . 16181 1 812 . 1 1 74 74 LEU HD21 H 1 1.177 . . 2 . . . . 108 LEU HD21 . 16181 1 813 . 1 1 74 74 LEU HD22 H 1 1.177 . . 2 . . . . 108 LEU HD21 . 16181 1 814 . 1 1 74 74 LEU HD23 H 1 1.177 . . 2 . . . . 108 LEU HD21 . 16181 1 815 . 1 1 74 74 LEU HG H 1 1.550 . . 1 . . . . 108 LEU HG . 16181 1 816 . 1 1 74 74 LEU CA C 13 56.960 . . 1 . . . . 108 LEU CA . 16181 1 817 . 1 1 74 74 LEU CB C 13 41.600 . . 1 . . . . 108 LEU CB . 16181 1 818 . 1 1 74 74 LEU CD1 C 13 27.060 . . 1 . . . . 108 LEU CD1 . 16181 1 819 . 1 1 74 74 LEU CD2 C 13 22.680 . . 1 . . . . 108 LEU CD2 . 16181 1 820 . 1 1 74 74 LEU CG C 13 27.060 . . 1 . . . . 108 LEU CG . 16181 1 821 . 1 1 74 74 LEU N N 15 121.250 . . 1 . . . . 108 LEU N . 16181 1 822 . 1 1 75 75 ALA H H 1 8.651 . . 1 . . . . 109 ALA HN . 16181 1 823 . 1 1 75 75 ALA HA H 1 3.657 . . 1 . . . . 109 ALA HA . 16181 1 824 . 1 1 75 75 ALA HB1 H 1 1.186 . . 1 . . . . 109 ALA HB1 . 16181 1 825 . 1 1 75 75 ALA HB2 H 1 1.186 . . 1 . . . . 109 ALA HB1 . 16181 1 826 . 1 1 75 75 ALA HB3 H 1 1.186 . . 1 . . . . 109 ALA HB1 . 16181 1 827 . 1 1 75 75 ALA CA C 13 54.770 . . 1 . . . . 109 ALA CA . 16181 1 828 . 1 1 75 75 ALA CB C 13 16.110 . . 1 . . . . 109 ALA CB . 16181 1 829 . 1 1 75 75 ALA N N 15 122.981 . . 1 . . . . 109 ALA N . 16181 1 830 . 1 1 76 76 ASN H H 1 7.240 . . 1 . . . . 110 ASN HN . 16181 1 831 . 1 1 76 76 ASN HA H 1 3.790 . . 1 . . . . 110 ASN HA . 16181 1 832 . 1 1 76 76 ASN HB2 H 1 1.270 . . 2 . . . . 110 ASN HB1 . 16181 1 833 . 1 1 76 76 ASN HB3 H 1 1.400 . . 2 . . . . 110 ASN HB2 . 16181 1 834 . 1 1 76 76 ASN HD21 H 1 5.775 . . 2 . . . . 110 ASN HD21 . 16181 1 835 . 1 1 76 76 ASN HD22 H 1 3.942 . . 2 . . . . 110 ASN HD22 . 16181 1 836 . 1 1 76 76 ASN CA C 13 55.540 . . 1 . . . . 110 ASN CA . 16181 1 837 . 1 1 76 76 ASN CB C 13 37.200 . . 1 . . . . 110 ASN CB . 16181 1 838 . 1 1 76 76 ASN N N 15 115.681 . . 1 . . . . 110 ASN N . 16181 1 839 . 1 1 76 76 ASN ND2 N 15 109.957 . . 1 . . . . 110 ASN ND2 . 16181 1 840 . 1 1 77 77 HIS H H 1 8.345 . . 1 . . . . 111 HIS HN . 16181 1 841 . 1 1 77 77 HIS HA H 1 4.094 . . 1 . . . . 111 HIS HA . 16181 1 842 . 1 1 77 77 HIS HB2 H 1 3.030 . . 2 . . . . 111 HIS HB1 . 16181 1 843 . 1 1 77 77 HIS HB3 H 1 3.280 . . 2 . . . . 111 HIS HB2 . 16181 1 844 . 1 1 77 77 HIS HD2 H 1 6.270 . . 3 . . . . 111 HIS HD2 . 16181 1 845 . 1 1 77 77 HIS HE1 H 1 7.550 . . 3 . . . . 111 HIS HE1 . 16181 1 846 . 1 1 77 77 HIS CA C 13 59.150 . . 1 . . . . 111 HIS CA . 16181 1 847 . 1 1 77 77 HIS CB C 13 30.700 . . 1 . . . . 111 HIS CB . 16181 1 848 . 1 1 77 77 HIS CD2 C 13 114.440 . . 1 . . . . 111 HIS CD2 . 16181 1 849 . 1 1 77 77 HIS CE1 C 13 135.340 . . 1 . . . . 111 HIS CE1 . 16181 1 850 . 1 1 77 77 HIS N N 15 124.686 . . 1 . . . . 111 HIS N . 16181 1 851 . 1 1 78 78 LEU H H 1 8.290 . . 1 . . . . 112 LEU HN . 16181 1 852 . 1 1 78 78 LEU HA H 1 3.810 . . 1 . . . . 112 LEU HA . 16181 1 853 . 1 1 78 78 LEU HB2 H 1 1.100 . . 2 . . . . 112 LEU HB1 . 16181 1 854 . 1 1 78 78 LEU HB3 H 1 2.030 . . 2 . . . . 112 LEU HB2 . 16181 1 855 . 1 1 78 78 LEU HD11 H 1 0.830 . . 2 . . . . 112 LEU HD11 . 16181 1 856 . 1 1 78 78 LEU HD12 H 1 0.830 . . 2 . . . . 112 LEU HD11 . 16181 1 857 . 1 1 78 78 LEU HD13 H 1 0.830 . . 2 . . . . 112 LEU HD11 . 16181 1 858 . 1 1 78 78 LEU HD21 H 1 0.740 . . 2 . . . . 112 LEU HD21 . 16181 1 859 . 1 1 78 78 LEU HD22 H 1 0.740 . . 2 . . . . 112 LEU HD21 . 16181 1 860 . 1 1 78 78 LEU HD23 H 1 0.740 . . 2 . . . . 112 LEU HD21 . 16181 1 861 . 1 1 78 78 LEU HG H 1 1.960 . . 1 . . . . 112 LEU HG . 16181 1 862 . 1 1 78 78 LEU CA C 13 56.200 . . 1 . . . . 112 LEU CA . 16181 1 863 . 1 1 78 78 LEU CB C 13 41.600 . . 1 . . . . 112 LEU CB . 16181 1 864 . 1 1 78 78 LEU CD1 C 13 27.000 . . 1 . . . . 112 LEU CD1 . 16181 1 865 . 1 1 78 78 LEU CD2 C 13 20.390 . . 1 . . . . 112 LEU CD2 . 16181 1 866 . 1 1 78 78 LEU CG C 13 26.300 . . 1 . . . . 112 LEU CG . 16181 1 867 . 1 1 78 78 LEU N N 15 119.085 . . 1 . . . . 112 LEU N . 16181 1 868 . 1 1 79 79 ILE H H 1 7.792 . . 1 . . . . 113 ILE HN . 16181 1 869 . 1 1 79 79 ILE HA H 1 3.290 . . 1 . . . . 113 ILE HA . 16181 1 870 . 1 1 79 79 ILE HB H 1 1.915 . . 1 . . . . 113 ILE HB . 16181 1 871 . 1 1 79 79 ILE HD11 H 1 0.783 . . 1 . . . . 113 ILE HD11 . 16181 1 872 . 1 1 79 79 ILE HD12 H 1 0.783 . . 1 . . . . 113 ILE HD11 . 16181 1 873 . 1 1 79 79 ILE HD13 H 1 0.783 . . 1 . . . . 113 ILE HD11 . 16181 1 874 . 1 1 79 79 ILE HG12 H 1 0.710 . . 1 . . . . 113 ILE HG11 . 16181 1 875 . 1 1 79 79 ILE HG13 H 1 1.960 . . 1 . . . . 113 ILE HG12 . 16181 1 876 . 1 1 79 79 ILE HG21 H 1 0.900 . . 2 . . . . 113 ILE HG21 . 16181 1 877 . 1 1 79 79 ILE HG22 H 1 0.900 . . 2 . . . . 113 ILE HG21 . 16181 1 878 . 1 1 79 79 ILE HG23 H 1 0.900 . . 2 . . . . 113 ILE HG21 . 16181 1 879 . 1 1 79 79 ILE CA C 13 65.000 . . 1 . . . . 113 ILE CA . 16181 1 880 . 1 1 79 79 ILE CB C 13 37.200 . . 1 . . . . 113 ILE CB . 16181 1 881 . 1 1 79 79 ILE CD1 C 13 13.200 . . 1 . . . . 113 ILE CD1 . 16181 1 882 . 1 1 79 79 ILE CG1 C 13 30.000 . . 2 . . . . 113 ILE CG1 . 16181 1 883 . 1 1 79 79 ILE CG2 C 13 16.870 . . 1 . . . . 113 ILE CG2 . 16181 1 884 . 1 1 79 79 ILE N N 15 121.304 . . 1 . . . . 113 ILE N . 16181 1 885 . 1 1 80 80 LYS H H 1 7.546 . . 1 . . . . 114 LYS HN . 16181 1 886 . 1 1 80 80 LYS HA H 1 3.820 . . 1 . . . . 114 LYS HA . 16181 1 887 . 1 1 80 80 LYS HB2 H 1 1.820 . . 2 . . . . 114 LYS HB1 . 16181 1 888 . 1 1 80 80 LYS HB3 H 1 1.960 . . 2 . . . . 114 LYS HB2 . 16181 1 889 . 1 1 80 80 LYS HD2 H 1 1.660 . . 2 . . . . 114 LYS HD1 . 16181 1 890 . 1 1 80 80 LYS HD3 H 1 1.660 . . 2 . . . . 114 LYS HD2 . 16181 1 891 . 1 1 80 80 LYS HE2 H 1 2.990 . . 2 . . . . 114 LYS HE1 . 16181 1 892 . 1 1 80 80 LYS HE3 H 1 3.030 . . 2 . . . . 114 LYS HE2 . 16181 1 893 . 1 1 80 80 LYS HG2 H 1 1.200 . . 2 . . . . 114 LYS HG1 . 16181 1 894 . 1 1 80 80 LYS HG3 H 1 1.480 . . 2 . . . . 114 LYS HG2 . 16181 1 895 . 1 1 80 80 LYS CA C 13 59.100 . . 1 . . . . 114 LYS CA . 16181 1 896 . 1 1 80 80 LYS CB C 13 30.700 . . 1 . . . . 114 LYS CB . 16181 1 897 . 1 1 80 80 LYS CD C 13 28.500 . . 1 . . . . 114 LYS CD . 16181 1 898 . 1 1 80 80 LYS CE C 13 40.920 . . 1 . . . . 114 LYS CE . 16181 1 899 . 1 1 80 80 LYS CG C 13 24.100 . . 1 . . . . 114 LYS CG . 16181 1 900 . 1 1 80 80 LYS N N 15 122.150 . . 1 . . . . 114 LYS N . 16181 1 901 . 1 1 81 81 VAL H H 1 8.110 . . 1 . . . . 115 VAL HN . 16181 1 902 . 1 1 81 81 VAL HA H 1 3.740 . . 1 . . . . 115 VAL HA . 16181 1 903 . 1 1 81 81 VAL HB H 1 2.054 . . 1 . . . . 115 VAL HB . 16181 1 904 . 1 1 81 81 VAL HG11 H 1 0.708 . . 2 . . . . 115 VAL HG11 . 16181 1 905 . 1 1 81 81 VAL HG12 H 1 0.708 . . 2 . . . . 115 VAL HG11 . 16181 1 906 . 1 1 81 81 VAL HG13 H 1 0.708 . . 2 . . . . 115 VAL HG11 . 16181 1 907 . 1 1 81 81 VAL HG21 H 1 0.678 . . 2 . . . . 115 VAL HG21 . 16181 1 908 . 1 1 81 81 VAL HG22 H 1 0.678 . . 2 . . . . 115 VAL HG21 . 16181 1 909 . 1 1 81 81 VAL HG23 H 1 0.678 . . 2 . . . . 115 VAL HG21 . 16181 1 910 . 1 1 81 81 VAL CA C 13 64.900 . . 1 . . . . 115 VAL CA . 16181 1 911 . 1 1 81 81 VAL CB C 13 30.720 . . 1 . . . . 115 VAL CB . 16181 1 912 . 1 1 81 81 VAL CG1 C 13 20.430 . . 1 . . . . 115 VAL CG1 . 16181 1 913 . 1 1 81 81 VAL CG2 C 13 21.200 . . 1 . . . . 115 VAL CG2 . 16181 1 914 . 1 1 81 81 VAL N N 15 118.999 . . 1 . . . . 115 VAL N . 16181 1 915 . 1 1 82 82 LYS H H 1 7.853 . . 1 . . . . 116 LYS HN . 16181 1 916 . 1 1 82 82 LYS HA H 1 4.540 . . 1 . . . . 116 LYS HA . 16181 1 917 . 1 1 82 82 LYS HB2 H 1 1.740 . . 2 . . . . 116 LYS HB1 . 16181 1 918 . 1 1 82 82 LYS HB3 H 1 2.090 . . 2 . . . . 116 LYS HB2 . 16181 1 919 . 1 1 82 82 LYS HD2 H 1 1.690 . . 2 . . . . 116 LYS HD1 . 16181 1 920 . 1 1 82 82 LYS HD3 H 1 2.000 . . 2 . . . . 116 LYS HD2 . 16181 1 921 . 1 1 82 82 LYS HE2 H 1 3.030 . . 2 . . . . 116 LYS HE1 . 16181 1 922 . 1 1 82 82 LYS HE3 H 1 2.960 . . 2 . . . . 116 LYS HE2 . 16181 1 923 . 1 1 82 82 LYS HG2 H 1 1.281 . . 2 . . . . 116 LYS HG1 . 16181 1 924 . 1 1 82 82 LYS HG3 H 1 1.480 . . 2 . . . . 116 LYS HG2 . 16181 1 925 . 1 1 82 82 LYS CA C 13 56.230 . . 1 . . . . 116 LYS CA . 16181 1 926 . 1 1 82 82 LYS CB C 13 30.700 . . 1 . . . . 116 LYS CB . 16181 1 927 . 1 1 82 82 LYS CD C 13 27.060 . . 1 . . . . 116 LYS CD . 16181 1 928 . 1 1 82 82 LYS CE C 13 40.920 . . 1 . . . . 116 LYS CE . 16181 1 929 . 1 1 82 82 LYS CG C 13 24.100 . . 1 . . . . 116 LYS CG . 16181 1 930 . 1 1 82 82 LYS N N 15 123.030 . . 1 . . . . 116 LYS N . 16181 1 931 . 1 1 83 83 LEU H H 1 8.959 . . 1 . . . . 117 LEU HN . 16181 1 932 . 1 1 83 83 LEU HA H 1 4.080 . . 1 . . . . 117 LEU HA . 16181 1 933 . 1 1 83 83 LEU HB2 H 1 1.440 . . 2 . . . . 117 LEU HB1 . 16181 1 934 . 1 1 83 83 LEU HB3 H 1 2.072 . . 2 . . . . 117 LEU HB2 . 16181 1 935 . 1 1 83 83 LEU HD11 H 1 0.867 . . 2 . . . . 117 LEU HD11 . 16181 1 936 . 1 1 83 83 LEU HD12 H 1 0.867 . . 2 . . . . 117 LEU HD11 . 16181 1 937 . 1 1 83 83 LEU HD13 H 1 0.867 . . 2 . . . . 117 LEU HD11 . 16181 1 938 . 1 1 83 83 LEU HD21 H 1 0.930 . . 2 . . . . 117 LEU HD21 . 16181 1 939 . 1 1 83 83 LEU HD22 H 1 0.930 . . 2 . . . . 117 LEU HD21 . 16181 1 940 . 1 1 83 83 LEU HD23 H 1 0.930 . . 2 . . . . 117 LEU HD21 . 16181 1 941 . 1 1 83 83 LEU HG H 1 1.850 . . 1 . . . . 117 LEU HG . 16181 1 942 . 1 1 83 83 LEU CA C 13 56.900 . . 1 . . . . 117 LEU CA . 16181 1 943 . 1 1 83 83 LEU CB C 13 40.920 . . 1 . . . . 117 LEU CB . 16181 1 944 . 1 1 83 83 LEU CD1 C 13 25.670 . . 1 . . . . 117 LEU CD1 . 16181 1 945 . 1 1 83 83 LEU CD2 C 13 21.950 . . 1 . . . . 117 LEU CD2 . 16181 1 946 . 1 1 83 83 LEU CG C 13 26.330 . . 1 . . . . 117 LEU CG . 16181 1 947 . 1 1 83 83 LEU N N 15 125.378 . . 1 . . . . 117 LEU N . 16181 1 948 . 1 1 84 84 GLU H H 1 7.817 . . 1 . . . . 118 GLU HN . 16181 1 949 . 1 1 84 84 GLU HA H 1 4.150 . . 1 . . . . 118 GLU HA . 16181 1 950 . 1 1 84 84 GLU HB2 H 1 2.150 . . 2 . . . . 118 GLU HB1 . 16181 1 951 . 1 1 84 84 GLU HB3 H 1 2.150 . . 2 . . . . 118 GLU HB2 . 16181 1 952 . 1 1 84 84 GLU HG2 H 1 2.250 . . 2 . . . . 118 GLU HG1 . 16181 1 953 . 1 1 84 84 GLU HG3 H 1 2.530 . . 2 . . . . 118 GLU HG2 . 16181 1 954 . 1 1 84 84 GLU CA C 13 56.200 . . 1 . . . . 118 GLU CA . 16181 1 955 . 1 1 84 84 GLU CB C 13 29.200 . . 1 . . . . 118 GLU CB . 16181 1 956 . 1 1 84 84 GLU CG C 13 35.800 . . 1 . . . . 118 GLU CG . 16181 1 957 . 1 1 84 84 GLU N N 15 119.766 . . 1 . . . . 118 GLU N . 16181 1 958 . 1 1 85 85 GLY H H 1 7.862 . . 1 . . . . 119 GLY HN . 16181 1 959 . 1 1 85 85 GLY HA2 H 1 3.640 . . 2 . . . . 119 GLY HA1 . 16181 1 960 . 1 1 85 85 GLY HA3 H 1 4.140 . . 2 . . . . 119 GLY HA2 . 16181 1 961 . 1 1 85 85 GLY CA C 13 43.800 . . 1 . . . . 119 GLY CA . 16181 1 962 . 1 1 85 85 GLY N N 15 107.902 . . 1 . . . . 119 GLY N . 16181 1 963 . 1 1 86 86 HIS H H 1 7.714 . . 1 . . . . 120 HIS HN . 16181 1 964 . 1 1 86 86 HIS HA H 1 4.680 . . 1 . . . . 120 HIS HA . 16181 1 965 . 1 1 86 86 HIS HB2 H 1 2.880 . . 2 . . . . 120 HIS HB1 . 16181 1 966 . 1 1 86 86 HIS HB3 H 1 3.060 . . 2 . . . . 120 HIS HB2 . 16181 1 967 . 1 1 86 86 HIS HD2 H 1 7.180 . . 3 . . . . 120 HIS HD2 . 16181 1 968 . 1 1 86 86 HIS HE1 H 1 8.750 . . 3 . . . . 120 HIS HE1 . 16181 1 969 . 1 1 86 86 HIS CA C 13 54.000 . . 1 . . . . 120 HIS CA . 16181 1 970 . 1 1 86 86 HIS CB C 13 30.000 . . 1 . . . . 120 HIS CB . 16181 1 971 . 1 1 86 86 HIS CD2 C 13 116.760 . . 1 . . . . 120 HIS CD2 . 16181 1 972 . 1 1 86 86 HIS N N 15 122.124 . . 1 . . . . 120 HIS N . 16181 1 973 . 1 1 87 87 GLU H H 1 8.491 . . 1 . . . . 121 GLU HN . 16181 1 974 . 1 1 87 87 GLU HA H 1 4.300 . . 1 . . . . 121 GLU HA . 16181 1 975 . 1 1 87 87 GLU HB2 H 1 1.850 . . 2 . . . . 121 GLU HB1 . 16181 1 976 . 1 1 87 87 GLU HB3 H 1 2.010 . . 2 . . . . 121 GLU HB2 . 16181 1 977 . 1 1 87 87 GLU HG2 H 1 2.280 . . 2 . . . . 121 GLU HG1 . 16181 1 978 . 1 1 87 87 GLU HG3 H 1 2.390 . . 2 . . . . 121 GLU HG2 . 16181 1 979 . 1 1 87 87 GLU CA C 13 54.040 . . 1 . . . . 121 GLU CA . 16181 1 980 . 1 1 87 87 GLU CB C 13 29.240 . . 1 . . . . 121 GLU CB . 16181 1 981 . 1 1 87 87 GLU CG C 13 35.080 . . 1 . . . . 121 GLU CG . 16181 1 982 . 1 1 87 87 GLU N N 15 121.826 . . 1 . . . . 121 GLU N . 16181 1 983 . 1 1 88 88 LEU H H 1 8.672 . . 1 . . . . 122 LEU HN . 16181 1 984 . 1 1 88 88 LEU HA H 1 4.410 . . 1 . . . . 122 LEU HA . 16181 1 985 . 1 1 88 88 LEU HB2 H 1 1.180 . . 2 . . . . 122 LEU HB1 . 16181 1 986 . 1 1 88 88 LEU HB3 H 1 1.670 . . 2 . . . . 122 LEU HB2 . 16181 1 987 . 1 1 88 88 LEU HD11 H 1 0.798 . . 2 . . . . 122 LEU HD11 . 16181 1 988 . 1 1 88 88 LEU HD12 H 1 0.798 . . 2 . . . . 122 LEU HD11 . 16181 1 989 . 1 1 88 88 LEU HD13 H 1 0.798 . . 2 . . . . 122 LEU HD11 . 16181 1 990 . 1 1 88 88 LEU HD21 H 1 0.860 . . 2 . . . . 122 LEU HD21 . 16181 1 991 . 1 1 88 88 LEU HD22 H 1 0.860 . . 2 . . . . 122 LEU HD21 . 16181 1 992 . 1 1 88 88 LEU HD23 H 1 0.860 . . 2 . . . . 122 LEU HD21 . 16181 1 993 . 1 1 88 88 LEU HG H 1 1.680 . . 1 . . . . 122 LEU HG . 16181 1 994 . 1 1 88 88 LEU CA C 13 51.130 . . 1 . . . . 122 LEU CA . 16181 1 995 . 1 1 88 88 LEU CB C 13 40.200 . . 1 . . . . 122 LEU CB . 16181 1 996 . 1 1 88 88 LEU CD1 C 13 22.680 . . 1 . . . . 122 LEU CD1 . 16181 1 997 . 1 1 88 88 LEU CD2 C 13 26.230 . . 1 . . . . 122 LEU CD2 . 16181 1 998 . 1 1 88 88 LEU CG C 13 26.330 . . 1 . . . . 122 LEU CG . 16181 1 999 . 1 1 88 88 LEU N N 15 125.316 . . 1 . . . . 122 LEU N . 16181 1 1000 . 1 1 89 89 PRO HA H 1 4.560 . . 1 . . . . 123 PRO HA . 16181 1 1001 . 1 1 89 89 PRO HB2 H 1 2.290 . . 2 . . . . 123 PRO HB1 . 16181 1 1002 . 1 1 89 89 PRO HB3 H 1 2.330 . . 2 . . . . 123 PRO HB2 . 16181 1 1003 . 1 1 89 89 PRO HD2 H 1 3.330 . . 2 . . . . 123 PRO HD1 . 16181 1 1004 . 1 1 89 89 PRO HD3 H 1 3.750 . . 2 . . . . 123 PRO HD2 . 16181 1 1005 . 1 1 89 89 PRO HG2 H 1 1.840 . . 2 . . . . 123 PRO HG1 . 16181 1 1006 . 1 1 89 89 PRO HG3 H 1 1.920 . . 2 . . . . 123 PRO HG2 . 16181 1 1007 . 1 1 89 89 PRO CA C 13 61.340 . . 1 . . . . 123 PRO CA . 16181 1 1008 . 1 1 89 89 PRO CB C 13 30.700 . . 1 . . . . 123 PRO CB . 16181 1 1009 . 1 1 89 89 PRO CD C 13 48.200 . . 1 . . . . 123 PRO CD . 16181 1 1010 . 1 1 89 89 PRO CG C 13 25.600 . . 1 . . . . 123 PRO CG . 16181 1 1011 . 1 1 90 90 ALA H H 1 8.464 . . 1 . . . . 124 ALA HN . 16181 1 1012 . 1 1 90 90 ALA HA H 1 4.063 . . 1 . . . . 124 ALA HA . 16181 1 1013 . 1 1 90 90 ALA HB1 H 1 1.390 . . 1 . . . . 124 ALA HB1 . 16181 1 1014 . 1 1 90 90 ALA HB2 H 1 1.390 . . 1 . . . . 124 ALA HB1 . 16181 1 1015 . 1 1 90 90 ALA HB3 H 1 1.390 . . 1 . . . . 124 ALA HB1 . 16181 1 1016 . 1 1 90 90 ALA CA C 13 53.320 . . 1 . . . . 124 ALA CA . 16181 1 1017 . 1 1 90 90 ALA CB C 13 18.300 . . 1 . . . . 124 ALA CB . 16181 1 1018 . 1 1 90 90 ALA N N 15 123.603 . . 1 . . . . 124 ALA N . 16181 1 1019 . 1 1 91 91 ASP H H 1 7.482 . . 1 . . . . 125 ASP HN . 16181 1 1020 . 1 1 91 91 ASP HA H 1 4.640 . . 1 . . . . 125 ASP HA . 16181 1 1021 . 1 1 91 91 ASP HB2 H 1 2.340 . . 2 . . . . 125 ASP HB1 . 16181 1 1022 . 1 1 91 91 ASP HB3 H 1 2.500 . . 2 . . . . 125 ASP HB2 . 16181 1 1023 . 1 1 91 91 ASP CA C 13 50.430 . . 1 . . . . 125 ASP CA . 16181 1 1024 . 1 1 91 91 ASP CB C 13 43.100 . . 1 . . . . 125 ASP CB . 16181 1 1025 . 1 1 91 91 ASP N N 15 115.317 . . 1 . . . . 125 ASP N . 16181 1 1026 . 1 1 92 92 LEU H H 1 8.883 . . 1 . . . . 126 LEU HN . 16181 1 1027 . 1 1 92 92 LEU HA H 1 4.189 . . 1 . . . . 126 LEU HA . 16181 1 1028 . 1 1 92 92 LEU HB2 H 1 1.560 . . 2 . . . . 126 LEU HB1 . 16181 1 1029 . 1 1 92 92 LEU HB3 H 1 1.560 . . 2 . . . . 126 LEU HB2 . 16181 1 1030 . 1 1 92 92 LEU HD11 H 1 0.890 . . 2 . . . . 126 LEU HD11 . 16181 1 1031 . 1 1 92 92 LEU HD12 H 1 0.890 . . 2 . . . . 126 LEU HD11 . 16181 1 1032 . 1 1 92 92 LEU HD13 H 1 0.890 . . 2 . . . . 126 LEU HD11 . 16181 1 1033 . 1 1 92 92 LEU HD21 H 1 0.980 . . 2 . . . . 126 LEU HD21 . 16181 1 1034 . 1 1 92 92 LEU HD22 H 1 0.980 . . 2 . . . . 126 LEU HD21 . 16181 1 1035 . 1 1 92 92 LEU HD23 H 1 0.980 . . 2 . . . . 126 LEU HD21 . 16181 1 1036 . 1 1 92 92 LEU HG H 1 1.720 . . 1 . . . . 126 LEU HG . 16181 1 1037 . 1 1 92 92 LEU CA C 13 52.500 . . 1 . . . . 126 LEU CA . 16181 1 1038 . 1 1 92 92 LEU CB C 13 41.600 . . 1 . . . . 126 LEU CB . 16181 1 1039 . 1 1 92 92 LEU CD1 C 13 24.800 . . 1 . . . . 126 LEU CD1 . 16181 1 1040 . 1 1 92 92 LEU CD2 C 13 25.630 . . 1 . . . . 126 LEU CD2 . 16181 1 1041 . 1 1 92 92 LEU CG C 13 25.630 . . 1 . . . . 126 LEU CG . 16181 1 1042 . 1 1 92 92 LEU N N 15 125.329 . . 1 . . . . 126 LEU N . 16181 1 1043 . 1 1 93 93 PRO HA H 1 4.860 . . 1 . . . . 127 PRO HA . 16181 1 1044 . 1 1 93 93 PRO HB2 H 1 1.930 . . 2 . . . . 127 PRO HB1 . 16181 1 1045 . 1 1 93 93 PRO HB3 H 1 2.500 . . 2 . . . . 127 PRO HB2 . 16181 1 1046 . 1 1 93 93 PRO HD2 H 1 3.490 . . 2 . . . . 127 PRO HD1 . 16181 1 1047 . 1 1 93 93 PRO HD3 H 1 4.110 . . 2 . . . . 127 PRO HD2 . 16181 1 1048 . 1 1 93 93 PRO HG2 H 1 1.550 . . 2 . . . . 127 PRO HG1 . 16181 1 1049 . 1 1 93 93 PRO HG3 H 1 2.130 . . 2 . . . . 127 PRO HG2 . 16181 1 1050 . 1 1 93 93 PRO CA C 13 59.800 . . 1 . . . . 127 PRO CA . 16181 1 1051 . 1 1 93 93 PRO CB C 13 29.970 . . 1 . . . . 127 PRO CB . 16181 1 1052 . 1 1 93 93 PRO CD C 13 49.670 . . 1 . . . . 127 PRO CD . 16181 1 1053 . 1 1 93 93 PRO CG C 13 26.300 . . 1 . . . . 127 PRO CG . 16181 1 1054 . 1 1 94 94 PRO HA H 1 4.210 . . 1 . . . . 128 PRO HA . 16181 1 1055 . 1 1 94 94 PRO HB2 H 1 2.060 . . 2 . . . . 128 PRO HB1 . 16181 1 1056 . 1 1 94 94 PRO HB3 H 1 2.440 . . 2 . . . . 128 PRO HB2 . 16181 1 1057 . 1 1 94 94 PRO HD2 H 1 3.880 . . 2 . . . . 128 PRO HD1 . 16181 1 1058 . 1 1 94 94 PRO HD3 H 1 3.920 . . 2 . . . . 128 PRO HD2 . 16181 1 1059 . 1 1 94 94 PRO HG2 H 1 2.120 . . 2 . . . . 128 PRO HG1 . 16181 1 1060 . 1 1 94 94 PRO HG3 H 1 2.250 . . 2 . . . . 128 PRO HG2 . 16181 1 1061 . 1 1 94 94 PRO CA C 13 65.000 . . 1 . . . . 128 PRO CA . 16181 1 1062 . 1 1 94 94 PRO CB C 13 31.430 . . 1 . . . . 128 PRO CB . 16181 1 1063 . 1 1 94 94 PRO CD C 13 49.670 . . 1 . . . . 128 PRO CD . 16181 1 1064 . 1 1 94 94 PRO CG C 13 27.060 . . 1 . . . . 128 PRO CG . 16181 1 1065 . 1 1 95 95 HIS H H 1 7.922 . . 1 . . . . 129 HIS HN . 16181 1 1066 . 1 1 95 95 HIS HA H 1 4.640 . . 1 . . . . 129 HIS HA . 16181 1 1067 . 1 1 95 95 HIS HB2 H 1 3.060 . . 2 . . . . 129 HIS HB1 . 16181 1 1068 . 1 1 95 95 HIS HB3 H 1 3.420 . . 2 . . . . 129 HIS HB2 . 16181 1 1069 . 1 1 95 95 HIS HD2 H 1 6.900 . . 3 . . . . 129 HIS HD2 . 16181 1 1070 . 1 1 95 95 HIS HE1 H 1 7.790 . . 3 . . . . 129 HIS HE1 . 16181 1 1071 . 1 1 95 95 HIS CA C 13 56.900 . . 1 . . . . 129 HIS CA . 16181 1 1072 . 1 1 95 95 HIS CB C 13 28.550 . . 1 . . . . 129 HIS CB . 16181 1 1073 . 1 1 95 95 HIS CD2 C 13 115.000 . . 1 . . . . 129 HIS CD2 . 16181 1 1074 . 1 1 95 95 HIS CE1 C 13 136.100 . . 1 . . . . 129 HIS CE1 . 16181 1 1075 . 1 1 95 95 HIS N N 15 112.757 . . 1 . . . . 129 HIS N . 16181 1 1076 . 1 1 96 96 LEU H H 1 7.717 . . 1 . . . . 130 LEU HN . 16181 1 1077 . 1 1 96 96 LEU HA H 1 4.640 . . 1 . . . . 130 LEU HA . 16181 1 1078 . 1 1 96 96 LEU HB2 H 1 1.450 . . 2 . . . . 130 LEU HB1 . 16181 1 1079 . 1 1 96 96 LEU HB3 H 1 1.710 . . 2 . . . . 130 LEU HB2 . 16181 1 1080 . 1 1 96 96 LEU HD11 H 1 0.785 . . 2 . . . . 130 LEU HD11 . 16181 1 1081 . 1 1 96 96 LEU HD12 H 1 0.785 . . 2 . . . . 130 LEU HD11 . 16181 1 1082 . 1 1 96 96 LEU HD13 H 1 0.785 . . 2 . . . . 130 LEU HD11 . 16181 1 1083 . 1 1 96 96 LEU HD21 H 1 0.616 . . 2 . . . . 130 LEU HD21 . 16181 1 1084 . 1 1 96 96 LEU HD22 H 1 0.616 . . 2 . . . . 130 LEU HD21 . 16181 1 1085 . 1 1 96 96 LEU HD23 H 1 0.616 . . 2 . . . . 130 LEU HD21 . 16181 1 1086 . 1 1 96 96 LEU HG H 1 0.976 . . 1 . . . . 130 LEU HG . 16181 1 1087 . 1 1 96 96 LEU CA C 13 53.300 . . 1 . . . . 130 LEU CA . 16181 1 1088 . 1 1 96 96 LEU CB C 13 42.370 . . 1 . . . . 130 LEU CB . 16181 1 1089 . 1 1 96 96 LEU CD1 C 13 24.130 . . 1 . . . . 130 LEU CD1 . 16181 1 1090 . 1 1 96 96 LEU CD2 C 13 22.680 . . 1 . . . . 130 LEU CD2 . 16181 1 1091 . 1 1 96 96 LEU CG C 13 25.600 . . 1 . . . . 130 LEU CG . 16181 1 1092 . 1 1 96 96 LEU N N 15 121.128 . . 1 . . . . 130 LEU N . 16181 1 1093 . 1 1 97 97 VAL H H 1 7.184 . . 1 . . . . 131 VAL HN . 16181 1 1094 . 1 1 97 97 VAL HA H 1 3.730 . . 1 . . . . 131 VAL HA . 16181 1 1095 . 1 1 97 97 VAL HB H 1 1.960 . . 1 . . . . 131 VAL HB . 16181 1 1096 . 1 1 97 97 VAL HG11 H 1 0.810 . . 2 . . . . 131 VAL HG11 . 16181 1 1097 . 1 1 97 97 VAL HG12 H 1 0.810 . . 2 . . . . 131 VAL HG11 . 16181 1 1098 . 1 1 97 97 VAL HG13 H 1 0.810 . . 2 . . . . 131 VAL HG11 . 16181 1 1099 . 1 1 97 97 VAL HG21 H 1 1.001 . . 2 . . . . 131 VAL HG21 . 16181 1 1100 . 1 1 97 97 VAL HG22 H 1 1.001 . . 2 . . . . 131 VAL HG21 . 16181 1 1101 . 1 1 97 97 VAL HG23 H 1 1.001 . . 2 . . . . 131 VAL HG21 . 16181 1 1102 . 1 1 97 97 VAL CA C 13 60.640 . . 1 . . . . 131 VAL CA . 16181 1 1103 . 1 1 97 97 VAL CB C 13 31.420 . . 1 . . . . 131 VAL CB . 16181 1 1104 . 1 1 97 97 VAL CG1 C 13 20.400 . . 1 . . . . 131 VAL CG1 . 16181 1 1105 . 1 1 97 97 VAL CG2 C 13 21.950 . . 1 . . . . 131 VAL CG2 . 16181 1 1106 . 1 1 97 97 VAL N N 15 125.572 . . 1 . . . . 131 VAL N . 16181 1 1107 . 1 1 98 98 PRO HA H 1 2.680 . . 1 . . . . 132 PRO HA . 16181 1 1108 . 1 1 98 98 PRO HB2 H 1 1.420 . . 2 . . . . 132 PRO HB1 . 16181 1 1109 . 1 1 98 98 PRO HB3 H 1 1.850 . . 2 . . . . 132 PRO HB2 . 16181 1 1110 . 1 1 98 98 PRO HD2 H 1 3.250 . . 2 . . . . 132 PRO HD1 . 16181 1 1111 . 1 1 98 98 PRO HD3 H 1 4.300 . . 2 . . . . 132 PRO HD2 . 16181 1 1112 . 1 1 98 98 PRO HG2 H 1 1.750 . . 2 . . . . 132 PRO HG1 . 16181 1 1113 . 1 1 98 98 PRO HG3 H 1 1.850 . . 2 . . . . 132 PRO HG2 . 16181 1 1114 . 1 1 98 98 PRO CA C 13 59.880 . . 1 . . . . 132 PRO CA . 16181 1 1115 . 1 1 98 98 PRO CB C 13 30.700 . . 1 . . . . 132 PRO CB . 16181 1 1116 . 1 1 98 98 PRO CD C 13 49.670 . . 1 . . . . 132 PRO CD . 16181 1 1117 . 1 1 98 98 PRO CG C 13 26.300 . . 1 . . . . 132 PRO CG . 16181 1 1118 . 1 1 99 99 PRO HA H 1 3.600 . . 1 . . . . 133 PRO HA . 16181 1 1119 . 1 1 99 99 PRO HB2 H 1 1.870 . . 2 . . . . 133 PRO HB1 . 16181 1 1120 . 1 1 99 99 PRO HB3 H 1 2.170 . . 2 . . . . 133 PRO HB2 . 16181 1 1121 . 1 1 99 99 PRO HD2 H 1 1.910 . . 2 . . . . 133 PRO HD1 . 16181 1 1122 . 1 1 99 99 PRO HD3 H 1 2.150 . . 2 . . . . 133 PRO HD2 . 16181 1 1123 . 1 1 99 99 PRO HG2 H 1 1.490 . . 2 . . . . 133 PRO HG1 . 16181 1 1124 . 1 1 99 99 PRO HG3 H 1 1.740 . . 2 . . . . 133 PRO HG2 . 16181 1 1125 . 1 1 99 99 PRO CA C 13 64.990 . . 1 . . . . 133 PRO CA . 16181 1 1126 . 1 1 99 99 PRO CB C 13 31.400 . . 1 . . . . 133 PRO CB . 16181 1 1127 . 1 1 99 99 PRO CD C 13 48.200 . . 1 . . . . 133 PRO CD . 16181 1 1128 . 1 1 99 99 PRO CG C 13 26.350 . . 1 . . . . 133 PRO CG . 16181 1 1129 . 1 1 100 100 SER H H 1 9.200 . . 1 . . . . 134 SER HN . 16181 1 1130 . 1 1 100 100 SER HA H 1 4.150 . . 1 . . . . 134 SER HA . 16181 1 1131 . 1 1 100 100 SER HB2 H 1 3.900 . . 2 . . . . 134 SER HB1 . 16181 1 1132 . 1 1 100 100 SER HB3 H 1 3.900 . . 2 . . . . 134 SER HB2 . 16181 1 1133 . 1 1 100 100 SER CA C 13 59.880 . . 1 . . . . 134 SER CA . 16181 1 1134 . 1 1 100 100 SER CB C 13 61.340 . . 1 . . . . 134 SER CB . 16181 1 1135 . 1 1 100 100 SER N N 15 115.005 . . 1 . . . . 134 SER N . 16181 1 1136 . 1 1 101 101 LYS H H 1 7.867 . . 1 . . . . 135 LYS HN . 16181 1 1137 . 1 1 101 101 LYS HA H 1 4.447 . . 1 . . . . 135 LYS HA . 16181 1 1138 . 1 1 101 101 LYS HB2 H 1 1.520 . . 2 . . . . 135 LYS HB1 . 16181 1 1139 . 1 1 101 101 LYS HB3 H 1 2.000 . . 2 . . . . 135 LYS HB2 . 16181 1 1140 . 1 1 101 101 LYS HD2 H 1 1.380 . . 2 . . . . 135 LYS HD1 . 16181 1 1141 . 1 1 101 101 LYS HD3 H 1 1.500 . . 2 . . . . 135 LYS HD2 . 16181 1 1142 . 1 1 101 101 LYS HE2 H 1 2.730 . . 2 . . . . 135 LYS HE1 . 16181 1 1143 . 1 1 101 101 LYS HE3 H 1 3.020 . . 2 . . . . 135 LYS HE2 . 16181 1 1144 . 1 1 101 101 LYS HG2 H 1 1.110 . . 2 . . . . 135 LYS HG1 . 16181 1 1145 . 1 1 101 101 LYS HG3 H 1 1.430 . . 2 . . . . 135 LYS HG2 . 16181 1 1146 . 1 1 101 101 LYS CA C 13 52.600 . . 1 . . . . 135 LYS CA . 16181 1 1147 . 1 1 101 101 LYS CB C 13 30.700 . . 1 . . . . 135 LYS CB . 16181 1 1148 . 1 1 101 101 LYS CD C 13 27.000 . . 1 . . . . 135 LYS CD . 16181 1 1149 . 1 1 101 101 LYS CE C 13 40.920 . . 1 . . . . 135 LYS CE . 16181 1 1150 . 1 1 101 101 LYS CG C 13 24.100 . . 1 . . . . 135 LYS CG . 16181 1 1151 . 1 1 101 101 LYS N N 15 121.053 . . 1 . . . . 135 LYS N . 16181 1 1152 . 1 1 102 102 ARG H H 1 7.077 . . 1 . . . . 136 ARG HN . 16181 1 1153 . 1 1 102 102 ARG HA H 1 4.100 . . 1 . . . . 136 ARG HA . 16181 1 1154 . 1 1 102 102 ARG HB2 H 1 1.610 . . 2 . . . . 136 ARG HB1 . 16181 1 1155 . 1 1 102 102 ARG HB3 H 1 1.760 . . 2 . . . . 136 ARG HB2 . 16181 1 1156 . 1 1 102 102 ARG HD2 H 1 2.980 . . 2 . . . . 136 ARG HD1 . 16181 1 1157 . 1 1 102 102 ARG HD3 H 1 3.170 . . 2 . . . . 136 ARG HD2 . 16181 1 1158 . 1 1 102 102 ARG HG2 H 1 1.450 . . 2 . . . . 136 ARG HG1 . 16181 1 1159 . 1 1 102 102 ARG HG3 H 1 1.750 . . 2 . . . . 136 ARG HG2 . 16181 1 1160 . 1 1 102 102 ARG HH11 H 1 6.400 . . 1 . . . . 136 ARG HH11 . 16181 1 1161 . 1 1 102 102 ARG HH12 H 1 7.160 . . 1 . . . . 136 ARG HH12 . 16181 1 1162 . 1 1 102 102 ARG HH21 H 1 6.400 . . 1 . . . . 136 ARG HH21 . 16181 1 1163 . 1 1 102 102 ARG HH22 H 1 7.160 . . 1 . . . . 136 ARG HH22 . 16181 1 1164 . 1 1 102 102 ARG CA C 13 55.500 . . 1 . . . . 136 ARG CA . 16181 1 1165 . 1 1 102 102 ARG CB C 13 30.000 . . 1 . . . . 136 ARG CB . 16181 1 1166 . 1 1 102 102 ARG CD C 13 43.100 . . 1 . . . . 136 ARG CD . 16181 1 1167 . 1 1 102 102 ARG CG C 13 26.330 . . 1 . . . . 136 ARG CG . 16181 1 1168 . 1 1 102 102 ARG N N 15 121.939 . . 1 . . . . 136 ARG N . 16181 1 1169 . 1 1 103 103 ARG H H 1 8.289 . . 1 . . . . 137 ARG HN . 16181 1 1170 . 1 1 103 103 ARG HA H 1 4.290 . . 1 . . . . 137 ARG HA . 16181 1 1171 . 1 1 103 103 ARG HB2 H 1 1.700 . . 2 . . . . 137 ARG HB1 . 16181 1 1172 . 1 1 103 103 ARG HB3 H 1 1.770 . . 2 . . . . 137 ARG HB2 . 16181 1 1173 . 1 1 103 103 ARG HD2 H 1 2.960 . . 2 . . . . 137 ARG HD1 . 16181 1 1174 . 1 1 103 103 ARG HD3 H 1 3.160 . . 2 . . . . 137 ARG HD2 . 16181 1 1175 . 1 1 103 103 ARG HG2 H 1 1.520 . . 2 . . . . 137 ARG HG1 . 16181 1 1176 . 1 1 103 103 ARG HG3 H 1 1.580 . . 2 . . . . 137 ARG HG2 . 16181 1 1177 . 1 1 103 103 ARG HH11 H 1 6.400 . . 1 . . . . 137 ARG HH11 . 16181 1 1178 . 1 1 103 103 ARG HH12 H 1 7.160 . . 1 . . . . 137 ARG HH12 . 16181 1 1179 . 1 1 103 103 ARG HH21 H 1 6.400 . . 1 . . . . 137 ARG HH21 . 16181 1 1180 . 1 1 103 103 ARG HH22 H 1 7.160 . . 1 . . . . 137 ARG HH22 . 16181 1 1181 . 1 1 103 103 ARG CA C 13 54.770 . . 1 . . . . 137 ARG CA . 16181 1 1182 . 1 1 103 103 ARG CB C 13 30.000 . . 1 . . . . 137 ARG CB . 16181 1 1183 . 1 1 103 103 ARG CD C 13 43.100 . . 1 . . . . 137 ARG CD . 16181 1 1184 . 1 1 103 103 ARG CG C 13 26.330 . . 1 . . . . 137 ARG CG . 16181 1 1185 . 1 1 103 103 ARG N N 15 123.504 . . 1 . . . . 137 ARG N . 16181 1 1186 . 1 1 104 104 HIS H H 1 8.370 . . 1 . . . . 138 HIS HN . 16181 1 1187 . 1 1 104 104 HIS HA H 1 4.660 . . 1 . . . . 138 HIS HA . 16181 1 1188 . 1 1 104 104 HIS HB2 H 1 3.110 . . 2 . . . . 138 HIS HB1 . 16181 1 1189 . 1 1 104 104 HIS HB3 H 1 3.170 . . 2 . . . . 138 HIS HB2 . 16181 1 1190 . 1 1 104 104 HIS HD2 H 1 7.140 . . 3 . . . . 138 HIS HD2 . 16181 1 1191 . 1 1 104 104 HIS HE1 H 1 8.550 . . 3 . . . . 138 HIS HE1 . 16181 1 1192 . 1 1 104 104 HIS CA C 13 54.040 . . 1 . . . . 138 HIS CA . 16181 1 1193 . 1 1 104 104 HIS CB C 13 29.240 . . 1 . . . . 138 HIS CB . 16181 1 1194 . 1 1 104 104 HIS CD2 C 13 117.000 . . 1 . . . . 138 HIS CD2 . 16181 1 1195 . 1 1 105 105 GLU H H 1 8.140 . . 1 . . . . 139 GLU HN . 16181 1 1196 . 1 1 105 105 GLU HA H 1 4.110 . . 1 . . . . 139 GLU HA . 16181 1 1197 . 1 1 105 105 GLU HB2 H 1 1.890 . . 2 . . . . 139 GLU HB1 . 16181 1 1198 . 1 1 105 105 GLU HB3 H 1 2.053 . . 2 . . . . 139 GLU HB2 . 16181 1 1199 . 1 1 105 105 GLU HG2 H 1 2.166 . . 2 . . . . 139 GLU HG1 . 16181 1 1200 . 1 1 105 105 GLU HG3 H 1 2.166 . . 2 . . . . 139 GLU HG2 . 16181 1 1201 . 1 1 105 105 GLU CA C 13 56.950 . . 1 . . . . 139 GLU CA . 16181 1 1202 . 1 1 105 105 GLU CB C 13 30.700 . . 1 . . . . 139 GLU CB . 16181 1 1203 . 1 1 105 105 GLU CG C 13 35.800 . . 1 . . . . 139 GLU CG . 16181 1 1204 . 1 1 105 105 GLU N N 15 129.491 . . 1 . . . . 139 GLU N . 16181 1 1205 . 2 2 2 2 ASN H H 1 8.190 . . 1 . . . . 144 ASN HN . 16181 1 1206 . 2 2 2 2 ASN HA H 1 3.970 . . 1 . . . . 144 ASN HA . 16181 1 1207 . 2 2 2 2 ASN HB2 H 1 3.140 . . 2 . . . . 144 ASN HB1 . 16181 1 1208 . 2 2 2 2 ASN HB3 H 1 2.920 . . 2 . . . . 144 ASN HB2 . 16181 1 1209 . 2 2 2 2 ASN HD21 H 1 7.280 . . 2 . . . . 144 ASN HD21 . 16181 1 1210 . 2 2 2 2 ASN HD22 H 1 7.070 . . 2 . . . . 144 ASN HD22 . 16181 1 1211 . 2 2 3 3 TYR H H 1 8.350 . . 1 . . . . 145 TYR HN . 16181 1 1212 . 2 2 3 3 TYR HA H 1 4.500 . . 1 . . . . 145 TYR HA . 16181 1 1213 . 2 2 3 3 TYR HB2 H 1 2.930 . . 2 . . . . 145 TYR HB1 . 16181 1 1214 . 2 2 3 3 TYR HB3 H 1 3.092 . . 2 . . . . 145 TYR HB2 . 16181 1 1215 . 2 2 3 3 TYR HD2 H 1 7.150 . . 3 . . . . 145 TYR HD2 . 16181 1 1216 . 2 2 3 3 TYR HE1 H 1 6.820 . . 3 . . . . 145 TYR HE1 . 16181 1 1217 . 2 2 3 3 TYR HE2 H 1 6.820 . . 3 . . . . 145 TYR HE2 . 16181 1 1218 . 2 2 3 3 TYR HD1 H 1 7.150 . . 3 . . . . 145 TYR HD1 . 16181 1 1219 . 2 2 4 4 GLU H H 1 8.350 . . 1 . . . . 146 GLU HN . 16181 1 1220 . 2 2 4 4 GLU HA H 1 4.290 . . 1 . . . . 146 GLU HA . 16181 1 1221 . 2 2 4 4 GLU HB2 H 1 1.930 . . 2 . . . . 146 GLU HB1 . 16181 1 1222 . 2 2 4 4 GLU HG2 H 1 2.220 . . 2 . . . . 146 GLU HG1 . 16181 1 1223 . 2 2 4 4 GLU HG3 H 1 2.220 . . 2 . . . . 146 GLU HG2 . 16181 1 1224 . 2 2 5 5 SER H H 1 8.300 . . 1 . . . . 147 SER HN . 16181 1 1225 . 2 2 5 5 SER HA H 1 4.500 . . 1 . . . . 147 SER HA . 16181 1 1226 . 2 2 5 5 SER HB2 H 1 3.880 . . 2 . . . . 147 SER HB2 . 16181 1 1227 . 2 2 6 6 THR H H 1 8.130 . . 1 . . . . 148 THR HN . 16181 1 1228 . 2 2 6 6 THR HA H 1 4.450 . . 1 . . . . 148 THR HA . 16181 1 1229 . 2 2 6 6 THR HB H 1 4.320 . . 1 . . . . 148 THR HB . 16181 1 1230 . 2 2 6 6 THR HG21 H 1 1.210 . . 1 . . . . 148 THR HG21 . 16181 1 1231 . 2 2 6 6 THR HG22 H 1 1.210 . . 1 . . . . 148 THR HG21 . 16181 1 1232 . 2 2 6 6 THR HG23 H 1 1.210 . . 1 . . . . 148 THR HG21 . 16181 1 1233 . 2 2 7 7 GLY H H 1 8.190 . . 1 . . . . 149 GLY HN . 16181 1 1234 . 2 2 7 7 GLY HA2 H 1 3.980 . . 2 . . . . 149 GLY HA1 . 16181 1 1235 . 2 2 7 7 GLY HA3 H 1 3.900 . . 2 . . . . 149 GLY HA2 . 16181 1 1236 . 2 2 8 8 PRO HA H 1 4.390 . . 1 . . . . 150 PRO HA . 16181 1 1237 . 2 2 8 8 PRO HB2 H 1 1.650 . . 2 . . . . 150 PRO HB1 . 16181 1 1238 . 2 2 8 8 PRO HB3 H 1 1.650 . . 2 . . . . 150 PRO HB2 . 16181 1 1239 . 2 2 8 8 PRO HD2 H 1 3.370 . . 2 . . . . 150 PRO HD1 . 16181 1 1240 . 2 2 8 8 PRO HD3 H 1 3.110 . . 2 . . . . 150 PRO HD2 . 16181 1 1241 . 2 2 8 8 PRO HG2 H 1 1.800 . . 2 . . . . 150 PRO HG1 . 16181 1 1242 . 2 2 8 8 PRO HG3 H 1 2.050 . . 2 . . . . 150 PRO HG2 . 16181 1 1243 . 2 2 9 9 PHE H H 1 8.230 . . 1 . . . . 151 PHE HN . 16181 1 1244 . 2 2 9 9 PHE HA H 1 4.650 . . 1 . . . . 151 PHE HA . 16181 1 1245 . 2 2 9 9 PHE HB2 H 1 2.960 . . 2 . . . . 151 PHE HB1 . 16181 1 1246 . 2 2 9 9 PHE HB3 H 1 3.180 . . 2 . . . . 151 PHE HB2 . 16181 1 1247 . 2 2 9 9 PHE HD1 H 1 7.250 . . 3 . . . . 151 PHE HD1 . 16181 1 1248 . 2 2 9 9 PHE HD2 H 1 7.250 . . 3 . . . . 151 PHE HD2 . 16181 1 1249 . 2 2 9 9 PHE HE1 H 1 7.310 . . 3 . . . . 151 PHE HE1 . 16181 1 1250 . 2 2 9 9 PHE HE2 H 1 7.310 . . 3 . . . . 151 PHE HE2 . 16181 1 1251 . 2 2 10 10 THR H H 1 7.560 . . 1 . . . . 152 THR HN . 16181 1 1252 . 2 2 10 10 THR HA H 1 4.100 . . 1 . . . . 152 THR HA . 16181 1 1253 . 2 2 10 10 THR HB H 1 4.180 . . 1 . . . . 152 THR HB . 16181 1 1254 . 2 2 10 10 THR HG21 H 1 1.180 . . 1 . . . . 152 THR HG21 . 16181 1 1255 . 2 2 10 10 THR HG22 H 1 1.180 . . 1 . . . . 152 THR HG21 . 16181 1 1256 . 2 2 10 10 THR HG23 H 1 1.180 . . 1 . . . . 152 THR HG21 . 16181 1 1257 . 2 2 11 11 ALA H H 1 8.220 . . 1 . . . . 153 ALA HN . 16181 1 1258 . 2 2 11 11 ALA HA H 1 4.300 . . 1 . . . . 153 ALA HA . 16181 1 1259 . 2 2 11 11 ALA HB1 H 1 1.400 . . 1 . . . . 153 ALA HB1 . 16181 1 1260 . 2 2 11 11 ALA HB2 H 1 1.400 . . 1 . . . . 153 ALA HB1 . 16181 1 1261 . 2 2 11 11 ALA HB3 H 1 1.400 . . 1 . . . . 153 ALA HB1 . 16181 1 1262 . 2 2 12 12 LYS H H 1 7.900 . . 1 . . . . 154 LYS HN . 16181 1 1263 . 2 2 12 12 LYS HA H 1 4.130 . . 1 . . . . 154 LYS HA . 16181 1 1264 . 2 2 12 12 LYS HB2 H 1 1.650 . . 2 . . . . 154 LYS HB1 . 16181 1 1265 . 2 2 12 12 LYS HB3 H 1 1.700 . . 2 . . . . 154 LYS HB2 . 16181 1 1266 . 2 2 12 12 LYS HD2 H 1 2.980 . . 2 . . . . 154 LYS HD1 . 16181 1 1267 . 2 2 12 12 LYS HD3 H 1 2.980 . . 2 . . . . 154 LYS HD2 . 16181 1 1268 . 2 2 12 12 LYS HG2 H 1 1.650 . . 2 . . . . 154 LYS HG1 . 16181 1 1269 . 2 2 12 12 LYS HG3 H 1 1.650 . . 2 . . . . 154 LYS HG2 . 16181 1 stop_ save_