data_15964 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15964 _Entry.Title ; Solution structure of Oxidised ERp18 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-09-25 _Entry.Accession_date 2008-09-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _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 Michelle Rowe . L. . 15964 2 Heli Alanen . I. . 15964 3 Lloyd Ruddock . W. . 15964 4 Geoff Kelly . . . 15964 5 Jurgen Schmidt . M. . 15964 6 Richard Williamson . A. . 15964 7 Mark Howard . J. . 15964 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 . 'not applicable' 'not applicable' . 15964 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Biosciences, University of Kent' . 15964 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'endoplasmic reticulum' . 15964 oxidase . 15964 'thioredoxin fold' . 15964 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15964 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 589 15964 '15N chemical shifts' 149 15964 '1H chemical shifts' 1022 15964 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-05-25 2008-09-25 update author 'complete entry citation' 15964 1 . . 2009-04-22 2008-09-25 original author 'original release' 15964 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7430 'Reduced ERp18' 15964 PDB 2K8V 'BMRB Entry Tracking System' 15964 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15964 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19361226 _Citation.Full_citation . _Citation.Title 'Solution Structure and Dynamics of ERp18: a Small ER Resident Oxidoreductase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue 21 _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 4596 _Citation.Page_last 4606 _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 Michelle Rowe . L. . 15964 1 2 Lloyd Ruddock . W. . 15964 1 3 Geoff Kelly . . . 15964 1 4 Jurgen Schmidt . M. . 15964 1 5 Richard Williamson . A. . 15964 1 6 Mark Howard . J. . 15964 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 15964 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12761212 _Citation.Full_citation . _Citation.Title 'Functional Characterization of ERp18, a New Endoplasmic Reticulum-located Thioredoxin Superfamily Member' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _Citation.Journal_issue 31 _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 28912 _Citation.Page_last 28920 _Citation.Year 2003 _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 Heli Alanen . I. . 15964 2 2 Richard Williamson . A. . 15964 2 3 Mark Howard . J. . 15964 2 4 Anna-Kaisa Lappi . . . 15964 2 5 Heli Jantti . P. . 15964 2 6 Sini Rautio . M. . 15964 2 7 Sakari Kellokupu . . . 15964 2 8 Lloyd Ruddock . W. . 15964 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15964 _Assembly.ID 1 _Assembly.Name ERp18 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 ERp18 1 $ERp18 A . yes native no no . . . 15964 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 ERp18 1 CYS 51 51 SG . 1 ERp18 1 CYS 54 54 SG . . . . . . . . . . 15964 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ERp18 _Entity.Sf_category entity _Entity.Sf_framecode ERp18 _Entity.Entry_ID 15964 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ERp18 _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 ; MHHHHHHMSDGHNGLGKGFG DHIHWRTLEDGKKEAAASGL PLMVIIHKSWCGACKALKPK FAESTEISELSHNFVMVNLE DEEEPKDEDFSPDGGYIPRI LFLDPSGKVHPEIINENGNP SYKYFYVSAEQVVQGMKEAQ ERLTGDAFRKKHLEDEL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; x1,M x2,H x3,H ... 170,D 171,E 172,L ; _Entity.Polymer_author_seq_details 'Residues 1-8 represent a non-native affinity tag' _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 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17771 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The molecule contains an N-terminal His-tag (MHHHHHHM) followed by the ERp18 sequence with the first S being residue 24 in full length ERp18 numbering' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16962 . ERp18 . . . . . 100.00 157 100.00 100.00 2.72e-111 . . . . 15964 1 2 no PDB 2K8V . "Solution Structure Of Oxidised Erp18" . . . . . 100.00 157 100.00 100.00 2.72e-111 . . . . 15964 1 3 no DBJ BAG52132 . "unnamed protein product [Homo sapiens]" . . . . . 94.90 172 100.00 100.00 1.33e-104 . . . . 15964 1 4 no GB AAD20035 . "Unknown [Homo sapiens]" . . . . . 94.90 172 100.00 100.00 1.33e-104 . . . . 15964 1 5 no GB AAH01493 . "Thioredoxin domain containing 12 (endoplasmic reticulum) [Homo sapiens]" . . . . . 94.90 172 100.00 100.00 1.33e-104 . . . . 15964 1 6 no GB AAH08913 . "Thioredoxin domain containing 12 (endoplasmic reticulum) [Homo sapiens]" . . . . . 94.90 172 99.33 99.33 3.16e-103 . . . . 15964 1 7 no GB AAH08953 . "Thioredoxin domain containing 12 (endoplasmic reticulum) [Homo sapiens]" . . . . . 94.90 172 100.00 100.00 1.33e-104 . . . . 15964 1 8 no GB AAN34781 . "thioredoxin-like protein p19 [Homo sapiens]" . . . . . 94.90 172 100.00 100.00 1.33e-104 . . . . 15964 1 9 no REF NP_001253090 . "thioredoxin domain containing 12 (endoplasmic reticulum) precursor [Macaca mulatta]" . . . . . 94.90 172 99.33 100.00 2.15e-104 . . . . 15964 1 10 no REF NP_056997 . "thioredoxin domain-containing protein 12 precursor [Homo sapiens]" . . . . . 94.90 172 100.00 100.00 1.33e-104 . . . . 15964 1 11 no REF XP_001110583 . "PREDICTED: thioredoxin domain-containing protein 12 [Macaca mulatta]" . . . . . 94.90 208 98.66 100.00 1.93e-103 . . . . 15964 1 12 no REF XP_002915769 . "PREDICTED: thioredoxin domain-containing protein 12 isoform X1 [Ailuropoda melanoleuca]" . . . . . 94.90 172 97.32 99.33 3.81e-102 . . . . 15964 1 13 no REF XP_003364421 . "PREDICTED: thioredoxin domain-containing protein 12-like isoform X1 [Equus caballus]" . . . . . 94.90 172 97.99 99.33 1.31e-102 . . . . 15964 1 14 no SP O95881 . "RecName: Full=Thioredoxin domain-containing protein 12; AltName: Full=Endoplasmic reticulum resident protein 18; Short=ER prote" . . . . . 94.90 172 100.00 100.00 1.33e-104 . . . . 15964 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 16 MET . 15964 1 2 17 HIS . 15964 1 3 18 HIS . 15964 1 4 19 HIS . 15964 1 5 20 HIS . 15964 1 6 21 HIS . 15964 1 7 22 HIS . 15964 1 8 23 MET . 15964 1 9 24 SER . 15964 1 10 25 ASP . 15964 1 11 26 GLY . 15964 1 12 27 HIS . 15964 1 13 28 ASN . 15964 1 14 29 GLY . 15964 1 15 30 LEU . 15964 1 16 31 GLY . 15964 1 17 32 LYS . 15964 1 18 33 GLY . 15964 1 19 34 PHE . 15964 1 20 35 GLY . 15964 1 21 36 ASP . 15964 1 22 37 HIS . 15964 1 23 38 ILE . 15964 1 24 39 HIS . 15964 1 25 40 TRP . 15964 1 26 41 ARG . 15964 1 27 42 THR . 15964 1 28 43 LEU . 15964 1 29 44 GLU . 15964 1 30 45 ASP . 15964 1 31 46 GLY . 15964 1 32 47 LYS . 15964 1 33 48 LYS . 15964 1 34 49 GLU . 15964 1 35 50 ALA . 15964 1 36 51 ALA . 15964 1 37 52 ALA . 15964 1 38 53 SER . 15964 1 39 54 GLY . 15964 1 40 55 LEU . 15964 1 41 56 PRO . 15964 1 42 57 LEU . 15964 1 43 58 MET . 15964 1 44 59 VAL . 15964 1 45 60 ILE . 15964 1 46 61 ILE . 15964 1 47 62 HIS . 15964 1 48 63 LYS . 15964 1 49 64 SER . 15964 1 50 65 TRP . 15964 1 51 66 CYS . 15964 1 52 67 GLY . 15964 1 53 68 ALA . 15964 1 54 69 CYS . 15964 1 55 70 LYS . 15964 1 56 71 ALA . 15964 1 57 72 LEU . 15964 1 58 73 LYS . 15964 1 59 74 PRO . 15964 1 60 75 LYS . 15964 1 61 76 PHE . 15964 1 62 77 ALA . 15964 1 63 78 GLU . 15964 1 64 79 SER . 15964 1 65 80 THR . 15964 1 66 81 GLU . 15964 1 67 82 ILE . 15964 1 68 83 SER . 15964 1 69 84 GLU . 15964 1 70 85 LEU . 15964 1 71 86 SER . 15964 1 72 87 HIS . 15964 1 73 88 ASN . 15964 1 74 89 PHE . 15964 1 75 90 VAL . 15964 1 76 91 MET . 15964 1 77 92 VAL . 15964 1 78 93 ASN . 15964 1 79 94 LEU . 15964 1 80 95 GLU . 15964 1 81 96 ASP . 15964 1 82 97 GLU . 15964 1 83 98 GLU . 15964 1 84 99 GLU . 15964 1 85 100 PRO . 15964 1 86 101 LYS . 15964 1 87 102 ASP . 15964 1 88 103 GLU . 15964 1 89 104 ASP . 15964 1 90 105 PHE . 15964 1 91 106 SER . 15964 1 92 107 PRO . 15964 1 93 108 ASP . 15964 1 94 109 GLY . 15964 1 95 110 GLY . 15964 1 96 111 TYR . 15964 1 97 112 ILE . 15964 1 98 113 PRO . 15964 1 99 114 ARG . 15964 1 100 115 ILE . 15964 1 101 116 LEU . 15964 1 102 117 PHE . 15964 1 103 118 LEU . 15964 1 104 119 ASP . 15964 1 105 120 PRO . 15964 1 106 121 SER . 15964 1 107 122 GLY . 15964 1 108 123 LYS . 15964 1 109 124 VAL . 15964 1 110 125 HIS . 15964 1 111 126 PRO . 15964 1 112 127 GLU . 15964 1 113 128 ILE . 15964 1 114 129 ILE . 15964 1 115 130 ASN . 15964 1 116 131 GLU . 15964 1 117 132 ASN . 15964 1 118 133 GLY . 15964 1 119 134 ASN . 15964 1 120 135 PRO . 15964 1 121 136 SER . 15964 1 122 137 TYR . 15964 1 123 138 LYS . 15964 1 124 139 TYR . 15964 1 125 140 PHE . 15964 1 126 141 TYR . 15964 1 127 142 VAL . 15964 1 128 143 SER . 15964 1 129 144 ALA . 15964 1 130 145 GLU . 15964 1 131 146 GLN . 15964 1 132 147 VAL . 15964 1 133 148 VAL . 15964 1 134 149 GLN . 15964 1 135 150 GLY . 15964 1 136 151 MET . 15964 1 137 152 LYS . 15964 1 138 153 GLU . 15964 1 139 154 ALA . 15964 1 140 155 GLN . 15964 1 141 156 GLU . 15964 1 142 157 ARG . 15964 1 143 158 LEU . 15964 1 144 159 THR . 15964 1 145 160 GLY . 15964 1 146 161 ASP . 15964 1 147 162 ALA . 15964 1 148 163 PHE . 15964 1 149 164 ARG . 15964 1 150 165 LYS . 15964 1 151 166 LYS . 15964 1 152 167 HIS . 15964 1 153 168 LEU . 15964 1 154 169 GLU . 15964 1 155 170 ASP . 15964 1 156 171 GLU . 15964 1 157 172 LEU . 15964 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15964 1 . HIS 2 2 15964 1 . HIS 3 3 15964 1 . HIS 4 4 15964 1 . HIS 5 5 15964 1 . HIS 6 6 15964 1 . HIS 7 7 15964 1 . MET 8 8 15964 1 . SER 9 9 15964 1 . ASP 10 10 15964 1 . GLY 11 11 15964 1 . HIS 12 12 15964 1 . ASN 13 13 15964 1 . GLY 14 14 15964 1 . LEU 15 15 15964 1 . GLY 16 16 15964 1 . LYS 17 17 15964 1 . GLY 18 18 15964 1 . PHE 19 19 15964 1 . GLY 20 20 15964 1 . ASP 21 21 15964 1 . HIS 22 22 15964 1 . ILE 23 23 15964 1 . HIS 24 24 15964 1 . TRP 25 25 15964 1 . ARG 26 26 15964 1 . THR 27 27 15964 1 . LEU 28 28 15964 1 . GLU 29 29 15964 1 . ASP 30 30 15964 1 . GLY 31 31 15964 1 . LYS 32 32 15964 1 . LYS 33 33 15964 1 . GLU 34 34 15964 1 . ALA 35 35 15964 1 . ALA 36 36 15964 1 . ALA 37 37 15964 1 . SER 38 38 15964 1 . GLY 39 39 15964 1 . LEU 40 40 15964 1 . PRO 41 41 15964 1 . LEU 42 42 15964 1 . MET 43 43 15964 1 . VAL 44 44 15964 1 . ILE 45 45 15964 1 . ILE 46 46 15964 1 . HIS 47 47 15964 1 . LYS 48 48 15964 1 . SER 49 49 15964 1 . TRP 50 50 15964 1 . CYS 51 51 15964 1 . GLY 52 52 15964 1 . ALA 53 53 15964 1 . CYS 54 54 15964 1 . LYS 55 55 15964 1 . ALA 56 56 15964 1 . LEU 57 57 15964 1 . LYS 58 58 15964 1 . PRO 59 59 15964 1 . LYS 60 60 15964 1 . PHE 61 61 15964 1 . ALA 62 62 15964 1 . GLU 63 63 15964 1 . SER 64 64 15964 1 . THR 65 65 15964 1 . GLU 66 66 15964 1 . ILE 67 67 15964 1 . SER 68 68 15964 1 . GLU 69 69 15964 1 . LEU 70 70 15964 1 . SER 71 71 15964 1 . HIS 72 72 15964 1 . ASN 73 73 15964 1 . PHE 74 74 15964 1 . VAL 75 75 15964 1 . MET 76 76 15964 1 . VAL 77 77 15964 1 . ASN 78 78 15964 1 . LEU 79 79 15964 1 . GLU 80 80 15964 1 . ASP 81 81 15964 1 . GLU 82 82 15964 1 . GLU 83 83 15964 1 . GLU 84 84 15964 1 . PRO 85 85 15964 1 . LYS 86 86 15964 1 . ASP 87 87 15964 1 . GLU 88 88 15964 1 . ASP 89 89 15964 1 . PHE 90 90 15964 1 . SER 91 91 15964 1 . PRO 92 92 15964 1 . ASP 93 93 15964 1 . GLY 94 94 15964 1 . GLY 95 95 15964 1 . TYR 96 96 15964 1 . ILE 97 97 15964 1 . PRO 98 98 15964 1 . ARG 99 99 15964 1 . ILE 100 100 15964 1 . LEU 101 101 15964 1 . PHE 102 102 15964 1 . LEU 103 103 15964 1 . ASP 104 104 15964 1 . PRO 105 105 15964 1 . SER 106 106 15964 1 . GLY 107 107 15964 1 . LYS 108 108 15964 1 . VAL 109 109 15964 1 . HIS 110 110 15964 1 . PRO 111 111 15964 1 . GLU 112 112 15964 1 . ILE 113 113 15964 1 . ILE 114 114 15964 1 . ASN 115 115 15964 1 . GLU 116 116 15964 1 . ASN 117 117 15964 1 . GLY 118 118 15964 1 . ASN 119 119 15964 1 . PRO 120 120 15964 1 . SER 121 121 15964 1 . TYR 122 122 15964 1 . LYS 123 123 15964 1 . TYR 124 124 15964 1 . PHE 125 125 15964 1 . TYR 126 126 15964 1 . VAL 127 127 15964 1 . SER 128 128 15964 1 . ALA 129 129 15964 1 . GLU 130 130 15964 1 . GLN 131 131 15964 1 . VAL 132 132 15964 1 . VAL 133 133 15964 1 . GLN 134 134 15964 1 . GLY 135 135 15964 1 . MET 136 136 15964 1 . LYS 137 137 15964 1 . GLU 138 138 15964 1 . ALA 139 139 15964 1 . GLN 140 140 15964 1 . GLU 141 141 15964 1 . ARG 142 142 15964 1 . LEU 143 143 15964 1 . THR 144 144 15964 1 . GLY 145 145 15964 1 . ASP 146 146 15964 1 . ALA 147 147 15964 1 . PHE 148 148 15964 1 . ARG 149 149 15964 1 . LYS 150 150 15964 1 . LYS 151 151 15964 1 . HIS 152 152 15964 1 . LEU 153 153 15964 1 . GLU 154 154 15964 1 . ASP 155 155 15964 1 . GLU 156 156 15964 1 . LEU 157 157 15964 1 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 15964 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ERp18 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15964 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 15964 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ERp18 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pHIA128 . . . . . . 15964 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Oxidised_15N_ERp18 _Sample.Sf_category sample _Sample.Sf_framecode Oxidised_15N_ERp18 _Sample.Entry_ID 15964 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample Oxidised prior to concentration using 0.5 mM GSSG' _Sample.Aggregate_sample_number 2 _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 ERp18 '[U-99% 15N]' . . 1 $ERp18 . . 0.7-1.5 . . mM . . . . 15964 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15964 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . % . . . . 15964 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15964 1 stop_ save_ save_Oxidised_13C_15N_ERp18 _Sample.Sf_category sample _Sample.Sf_framecode Oxidised_13C_15N_ERp18 _Sample.Entry_ID 15964 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample Oxidised prior to concentration using 0.5 mM GSSG' _Sample.Aggregate_sample_number 2 _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 ERp18 '[U-99% 13C; U-99% 15N]' . . 1 $ERp18 . . 1-1.5 . . mM . . . . 15964 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15964 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . % . . . . 15964 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15964 2 stop_ save_ save_Oxidised_ERp18_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode Oxidised_ERp18_in_D2O _Sample.Entry_ID 15964 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample Oxidised prior to concentration using 0.5 mM GSSG' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ERp18 '[U-99% 13C; U-99% 15N]' . . 1 $ERp18 . . 0.7-1.5 . . mM . . . . 15964 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15964 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . % . . . . 15964 3 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 15964 3 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 15964 _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' 100 . mM 15964 1 pH 6.5 . pH 15964 1 pressure 1 . atm 15964 1 temperature 298 . K 15964 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15964 _Software.ID 1 _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' . . 15964 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15964 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15964 _Software.ID 2 _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' . . 15964 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15964 2 'peak picking' 15964 2 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 15964 _Software.ID 3 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 15964 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15964 3 'data analysis' 15964 3 'peak picking' 15964 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15964 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15964 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15964 4 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15964 _Software.ID 5 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15964 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15964 5 refinement 15964 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15964 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15964 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15964 6 validation 15964 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15964 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'University of Kent; 5mm HCN z-pulse field gradient probe' _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 15964 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'NIMR, Mill Hill' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15964 _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 'University of Kent; 5mm HCN z-pulse field gradient probe' . . 15964 1 2 spectrometer_2 Varian INOVA . 800 'NIMR, Mill Hill' . . 15964 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 15964 _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 $Oxidised_15N_ERp18 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15964 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $Oxidised_13C_15N_ERp18 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15964 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $Oxidised_13C_15N_ERp18 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15964 1 4 '3D HNCACB' no . . . . . . . . . . 2 $Oxidised_13C_15N_ERp18 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15964 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $Oxidised_13C_15N_ERp18 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15964 1 6 '3D HBHANH' no . . . . . . . . . . 2 $Oxidised_13C_15N_ERp18 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15964 1 7 '3D HNCO' no . . . . . . . . . . 2 $Oxidised_13C_15N_ERp18 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15964 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $Oxidised_13C_15N_ERp18 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15964 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $Oxidised_13C_15N_ERp18 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15964 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $Oxidised_ERp18_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15964 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $Oxidised_15N_ERp18 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15964 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Oxidised_15N_ERp18 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15964 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $Oxidised_13C_15N_ERp18 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15964 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 15964 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15964 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15964 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15964 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_Oxidised_ERp18 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Oxidised_ERp18 _Assigned_chem_shift_list.Entry_ID 15964 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15964 1 2 '2D 1H-13C HSQC' . . . 15964 1 3 '3D CBCA(CO)NH' . . . 15964 1 4 '3D HNCACB' . . . 15964 1 5 '3D HBHA(CO)NH' . . . 15964 1 6 '3D HBHANH' . . . 15964 1 7 '3D HNCO' . . . 15964 1 8 '3D C(CO)NH' . . . 15964 1 9 '3D HCCH-TOCSY' . . . 15964 1 10 '3D HCCH-TOCSY' . . . 15964 1 11 '3D 1H-15N TOCSY' . . . 15964 1 12 '3D 1H-15N NOESY' . . . 15964 1 13 '3D 1H-13C NOESY' . . . 15964 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 $NMRPipe . . 15964 1 2 $NMRView . . 15964 1 3 $CCPN_Analysis . . 15964 1 4 $CNS . . 15964 1 5 $TALOS . . 15964 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 HIS C C 13 176.758 0.5 . 1 . . . . 22 HIS C . 15964 1 2 . 1 1 7 7 HIS CA C 13 56.217 0.5 . 1 . . . . 22 HIS CA . 15964 1 3 . 1 1 7 7 HIS CB C 13 30.280 0.5 . 1 . . . . 22 HIS CB . 15964 1 4 . 1 1 8 8 MET H H 1 8.443 0.02 . 1 . . . . 23 MET H . 15964 1 5 . 1 1 8 8 MET HA H 1 4.463 0.02 . 1 . . . . 23 MET HA . 15964 1 6 . 1 1 8 8 MET HB2 H 1 2.063 0.02 . 2 . . . . 23 MET HB2 . 15964 1 7 . 1 1 8 8 MET HB3 H 1 1.953 0.02 . 2 . . . . 23 MET HB3 . 15964 1 8 . 1 1 8 8 MET HG2 H 1 2.496 0.02 . 2 . . . . 23 MET HG2 . 15964 1 9 . 1 1 8 8 MET HG3 H 1 2.434 0.02 . 2 . . . . 23 MET HG3 . 15964 1 10 . 1 1 8 8 MET CA C 13 55.916 0.5 . 1 . . . . 23 MET CA . 15964 1 11 . 1 1 8 8 MET CB C 13 32.723 0.5 . 1 . . . . 23 MET CB . 15964 1 12 . 1 1 8 8 MET CG C 13 31.992 0.5 . 1 . . . . 23 MET CG . 15964 1 13 . 1 1 8 8 MET N N 15 122.247 0.5 . 1 . . . . 23 MET N . 15964 1 14 . 1 1 9 9 SER H H 1 8.411 0.02 . 1 . . . . 24 SER H . 15964 1 15 . 1 1 9 9 SER HA H 1 4.525 0.02 . 1 . . . . 24 SER HA . 15964 1 16 . 1 1 9 9 SER HB2 H 1 3.87 0.02 . 1 . . . . 24 SER HB2 . 15964 1 17 . 1 1 9 9 SER HB3 H 1 3.87 0.02 . 1 . . . . 24 SER HB3 . 15964 1 18 . 1 1 9 9 SER C C 13 176.380 0.5 . 1 . . . . 24 SER C . 15964 1 19 . 1 1 9 9 SER CA C 13 58.244 0.5 . 1 . . . . 24 SER CA . 15964 1 20 . 1 1 9 9 SER CB C 13 63.941 0.5 . 1 . . . . 24 SER CB . 15964 1 21 . 1 1 9 9 SER N N 15 116.888 0.5 . 1 . . . . 24 SER N . 15964 1 22 . 1 1 10 10 ASP H H 1 8.358 0.02 . 1 . . . . 25 ASP H . 15964 1 23 . 1 1 10 10 ASP HA H 1 4.63 0.02 . 1 . . . . 25 ASP HA . 15964 1 24 . 1 1 10 10 ASP HB2 H 1 2.698 0.02 . 1 . . . . 25 ASP HB2 . 15964 1 25 . 1 1 10 10 ASP HB3 H 1 2.698 0.02 . 1 . . . . 25 ASP HB3 . 15964 1 26 . 1 1 10 10 ASP C C 13 176.715 0.5 . 1 . . . . 25 ASP C . 15964 1 27 . 1 1 10 10 ASP CA C 13 54.438 0.5 . 1 . . . . 25 ASP CA . 15964 1 28 . 1 1 10 10 ASP CB C 13 41.161 0.5 . 1 . . . . 25 ASP CB . 15964 1 29 . 1 1 10 10 ASP N N 15 122.467 0.5 . 1 . . . . 25 ASP N . 15964 1 30 . 1 1 11 11 GLY H H 1 8.341 0.02 . 1 . . . . 26 GLY H . 15964 1 31 . 1 1 11 11 GLY HA2 H 1 3.941 0.02 . 1 . . . . 26 GLY HA2 . 15964 1 32 . 1 1 11 11 GLY HA3 H 1 3.941 0.02 . 1 . . . . 26 GLY HA3 . 15964 1 33 . 1 1 11 11 GLY CA C 13 45.282 0.5 . 1 . . . . 26 GLY CA . 15964 1 34 . 1 1 11 11 GLY N N 15 108.752 0.5 . 1 . . . . 26 GLY N . 15964 1 35 . 1 1 12 12 HIS H H 1 8.325 0.02 . 1 . . . . 27 HIS H . 15964 1 36 . 1 1 12 12 HIS HA H 1 4.686 0.02 . 1 . . . . 27 HIS HA . 15964 1 37 . 1 1 12 12 HIS HB2 H 1 3.23 0.02 . 2 . . . . 27 HIS HB2 . 15964 1 38 . 1 1 12 12 HIS HB3 H 1 3.153 0.02 . 2 . . . . 27 HIS HB3 . 15964 1 39 . 1 1 12 12 HIS HD2 H 1 7.117 0.02 . 1 . . . . 27 HIS HD2 . 15964 1 40 . 1 1 12 12 HIS HE1 H 1 8.168 0.02 . 1 . . . . 27 HIS HE1 . 15964 1 41 . 1 1 12 12 HIS CA C 13 55.992 0.5 . 1 . . . . 27 HIS CA . 15964 1 42 . 1 1 12 12 HIS CB C 13 30.676 0.5 . 1 . . . . 27 HIS CB . 15964 1 43 . 1 1 12 12 HIS N N 15 118.880 0.5 . 1 . . . . 27 HIS N . 15964 1 44 . 1 1 13 13 ASN H H 1 8.492 0.02 . 1 . . . . 28 ASN H . 15964 1 45 . 1 1 13 13 ASN HA H 1 4.766 0.02 . 1 . . . . 28 ASN HA . 15964 1 46 . 1 1 13 13 ASN HB2 H 1 2.818 0.02 . 1 . . . . 28 ASN HB2 . 15964 1 47 . 1 1 13 13 ASN HB3 H 1 2.818 0.02 . 1 . . . . 28 ASN HB3 . 15964 1 48 . 1 1 13 13 ASN HD21 H 1 7.665 0.02 . 2 . . . . 28 ASN HD21 . 15964 1 49 . 1 1 13 13 ASN HD22 H 1 7.013 0.02 . 2 . . . . 28 ASN HD22 . 15964 1 50 . 1 1 13 13 ASN C C 13 175.691 0.5 . 1 . . . . 28 ASN C . 15964 1 51 . 1 1 13 13 ASN CA C 13 53.231 0.5 . 1 . . . . 28 ASN CA . 15964 1 52 . 1 1 13 13 ASN CB C 13 39.158 0.5 . 1 . . . . 28 ASN CB . 15964 1 53 . 1 1 13 13 ASN N N 15 119.553 0.5 . 1 . . . . 28 ASN N . 15964 1 54 . 1 1 13 13 ASN ND2 N 15 113.231 0.5 . 1 . . . . 28 ASN ND2 . 15964 1 55 . 1 1 14 14 GLY H H 1 8.684 0.02 . 1 . . . . 29 GLY H . 15964 1 56 . 1 1 14 14 GLY HA2 H 1 4.068 0.02 . 1 . . . . 29 GLY HA2 . 15964 1 57 . 1 1 14 14 GLY HA3 H 1 4.068 0.02 . 1 . . . . 29 GLY HA3 . 15964 1 58 . 1 1 14 14 GLY CA C 13 45.649 0.5 . 1 . . . . 29 GLY CA . 15964 1 59 . 1 1 14 14 GLY N N 15 110.090 0.5 . 1 . . . . 29 GLY N . 15964 1 60 . 1 1 15 15 LEU H H 1 8.450 0.02 . 1 . . . . 30 LEU H . 15964 1 61 . 1 1 15 15 LEU HA H 1 4.161 0.02 . 5 . . . . 30 LEU HA . 15964 1 62 . 1 1 15 15 LEU HB2 H 1 1.812 0.02 . 2 . . . . 30 LEU HB2 . 15964 1 63 . 1 1 15 15 LEU HB3 H 1 1.535 0.02 . 2 . . . . 30 LEU HB3 . 15964 1 64 . 1 1 15 15 LEU HD11 H 1 0.986 0.02 . 2 . . . . 30 LEU HD1 . 15964 1 65 . 1 1 15 15 LEU HD12 H 1 0.986 0.02 . 2 . . . . 30 LEU HD1 . 15964 1 66 . 1 1 15 15 LEU HD13 H 1 0.986 0.02 . 2 . . . . 30 LEU HD1 . 15964 1 67 . 1 1 15 15 LEU HD21 H 1 0.868 0.02 . 2 . . . . 30 LEU HD2 . 15964 1 68 . 1 1 15 15 LEU HD22 H 1 0.868 0.02 . 2 . . . . 30 LEU HD2 . 15964 1 69 . 1 1 15 15 LEU HD23 H 1 0.868 0.02 . 2 . . . . 30 LEU HD2 . 15964 1 70 . 1 1 15 15 LEU HG H 1 1.716 0.02 . 5 . . . . 30 LEU HG . 15964 1 71 . 1 1 15 15 LEU C C 13 178.370 0.5 . 1 . . . . 30 LEU C . 15964 1 72 . 1 1 15 15 LEU CA C 13 56.230 0.5 . 5 . . . . 30 LEU CA . 15964 1 73 . 1 1 15 15 LEU CB C 13 42.910 0.5 . 5 . . . . 30 LEU CB . 15964 1 74 . 1 1 15 15 LEU CD1 C 13 25.374 0.5 . 2 . . . . 30 LEU CD1 . 15964 1 75 . 1 1 15 15 LEU CD2 C 13 22.8 0.5 . 2 . . . . 30 LEU CD2 . 15964 1 76 . 1 1 15 15 LEU CG C 13 27.421 0.5 . 5 . . . . 30 LEU CG . 15964 1 77 . 1 1 15 15 LEU N N 15 120.493 0.5 . 1 . . . . 30 LEU N . 15964 1 78 . 1 1 16 16 GLY H H 1 8.858 0.02 . 1 . . . . 31 GLY H . 15964 1 79 . 1 1 16 16 GLY HA2 H 1 3.14 0.02 . 2 . . . . 31 GLY HA2 . 15964 1 80 . 1 1 16 16 GLY HA3 H 1 2.168 0.02 . 2 . . . . 31 GLY HA3 . 15964 1 81 . 1 1 16 16 GLY C C 13 173.756 0.5 . 1 . . . . 31 GLY C . 15964 1 82 . 1 1 16 16 GLY CA C 13 46.881 0.5 . 1 . . . . 31 GLY CA . 15964 1 83 . 1 1 16 16 GLY N N 15 108.149 0.5 . 1 . . . . 31 GLY N . 15964 1 84 . 1 1 17 17 LYS H H 1 7.831 0.02 . 1 . . . . 32 LYS H . 15964 1 85 . 1 1 17 17 LYS HA H 1 3.734 0.02 . 1 . . . . 32 LYS HA . 15964 1 86 . 1 1 17 17 LYS HB2 H 1 2 0.02 . 1 . . . . 32 LYS HB2 . 15964 1 87 . 1 1 17 17 LYS HB3 H 1 2 0.02 . 1 . . . . 32 LYS HB3 . 15964 1 88 . 1 1 17 17 LYS HD2 H 1 1.927 0.02 . 1 . . . . 32 LYS HD2 . 15964 1 89 . 1 1 17 17 LYS HD3 H 1 1.927 0.02 . 1 . . . . 32 LYS HD3 . 15964 1 90 . 1 1 17 17 LYS HE2 H 1 2.974 0.02 . 1 . . . . 32 LYS HE2 . 15964 1 91 . 1 1 17 17 LYS HE3 H 1 2.974 0.02 . 1 . . . . 32 LYS HE3 . 15964 1 92 . 1 1 17 17 LYS HG2 H 1 1.664 0.02 . 2 . . . . 32 LYS HG2 . 15964 1 93 . 1 1 17 17 LYS HG3 H 1 1.457 0.02 . 2 . . . . 32 LYS HG3 . 15964 1 94 . 1 1 17 17 LYS C C 13 175.047 0.5 . 1 . . . . 32 LYS C . 15964 1 95 . 1 1 17 17 LYS CA C 13 56.560 0.5 . 1 . . . . 32 LYS CA . 15964 1 96 . 1 1 17 17 LYS CB C 13 30.108 0.5 . 1 . . . . 32 LYS CB . 15964 1 97 . 1 1 17 17 LYS CD C 13 30.108 0.5 . 1 . . . . 32 LYS CD . 15964 1 98 . 1 1 17 17 LYS CE C 13 41.406 0.5 . 1 . . . . 32 LYS CE . 15964 1 99 . 1 1 17 17 LYS CG C 13 25.583 0.5 . 1 . . . . 32 LYS CG . 15964 1 100 . 1 1 17 17 LYS N N 15 111.334 0.5 . 1 . . . . 32 LYS N . 15964 1 101 . 1 1 18 18 GLY H H 1 8.057 0.02 . 1 . . . . 33 GLY H . 15964 1 102 . 1 1 18 18 GLY HA2 H 1 4.074 0.02 . 2 . . . . 33 GLY HA2 . 15964 1 103 . 1 1 18 18 GLY HA3 H 1 3.362 0.02 . 2 . . . . 33 GLY HA3 . 15964 1 104 . 1 1 18 18 GLY C C 13 174.81 0.5 . 1 . . . . 33 GLY C . 15964 1 105 . 1 1 18 18 GLY CA C 13 44.848 0.5 . 1 . . . . 33 GLY CA . 15964 1 106 . 1 1 18 18 GLY N N 15 104.156 0.5 . 1 . . . . 33 GLY N . 15964 1 107 . 1 1 19 19 PHE H H 1 7.866 0.02 . 1 . . . . 34 PHE H . 15964 1 108 . 1 1 19 19 PHE HA H 1 4.154 0.02 . 1 . . . . 34 PHE HA . 15964 1 109 . 1 1 19 19 PHE HB2 H 1 3.011 0.02 . 2 . . . . 34 PHE HB2 . 15964 1 110 . 1 1 19 19 PHE HB3 H 1 2.543 0.02 . 2 . . . . 34 PHE HB3 . 15964 1 111 . 1 1 19 19 PHE HD1 H 1 6.413 0.02 . 1 . . . . 34 PHE HD1 . 15964 1 112 . 1 1 19 19 PHE HD2 H 1 6.413 0.02 . 1 . . . . 34 PHE HD2 . 15964 1 113 . 1 1 19 19 PHE HE1 H 1 5.508 0.02 . 1 . . . . 34 PHE HE1 . 15964 1 114 . 1 1 19 19 PHE HE2 H 1 5.508 0.02 . 1 . . . . 34 PHE HE2 . 15964 1 115 . 1 1 19 19 PHE HZ H 1 6.066 0.02 . 1 . . . . 34 PHE HZ . 15964 1 116 . 1 1 19 19 PHE C C 13 173.98 0.5 . 1 . . . . 34 PHE C . 15964 1 117 . 1 1 19 19 PHE CA C 13 60.972 0.5 . 1 . . . . 34 PHE CA . 15964 1 118 . 1 1 19 19 PHE CB C 13 38.936 0.5 . 1 . . . . 34 PHE CB . 15964 1 119 . 1 1 19 19 PHE CD1 C 13 131.311 0.5 . 1 . . . . 34 PHE CD1 . 15964 1 120 . 1 1 19 19 PHE CD2 C 13 131.311 0.5 . 1 . . . . 34 PHE CD2 . 15964 1 121 . 1 1 19 19 PHE CE1 C 13 129.278 0.5 . 1 . . . . 34 PHE CE1 . 15964 1 122 . 1 1 19 19 PHE CE2 C 13 129.278 0.5 . 1 . . . . 34 PHE CE2 . 15964 1 123 . 1 1 19 19 PHE CZ C 13 127.527 0.5 . 1 . . . . 34 PHE CZ . 15964 1 124 . 1 1 19 19 PHE N N 15 118.019 0.5 . 1 . . . . 34 PHE N . 15964 1 125 . 1 1 20 20 GLY H H 1 7.677 0.02 . 1 . . . . 35 GLY H . 15964 1 126 . 1 1 20 20 GLY HA2 H 1 4.854 0.02 . 2 . . . . 35 GLY HA2 . 15964 1 127 . 1 1 20 20 GLY HA3 H 1 3.693 0.02 . 2 . . . . 35 GLY HA3 . 15964 1 128 . 1 1 20 20 GLY C C 13 175.483 0.5 . 1 . . . . 35 GLY C . 15964 1 129 . 1 1 20 20 GLY CA C 13 45.124 0.5 . 1 . . . . 35 GLY CA . 15964 1 130 . 1 1 20 20 GLY N N 15 102.781 0.5 . 1 . . . . 35 GLY N . 15964 1 131 . 1 1 21 21 ASP H H 1 9.254 0.02 . 1 . . . . 36 ASP H . 15964 1 132 . 1 1 21 21 ASP HA H 1 4.964 0.02 . 1 . . . . 36 ASP HA . 15964 1 133 . 1 1 21 21 ASP HB2 H 1 3.064 0.02 . 2 . . . . 36 ASP HB2 . 15964 1 134 . 1 1 21 21 ASP HB3 H 1 2.744 0.02 . 2 . . . . 36 ASP HB3 . 15964 1 135 . 1 1 21 21 ASP C C 13 175.452 0.5 . 1 . . . . 36 ASP C . 15964 1 136 . 1 1 21 21 ASP CA C 13 55.888 0.5 . 1 . . . . 36 ASP CA . 15964 1 137 . 1 1 21 21 ASP CB C 13 40.406 0.5 . 1 . . . . 36 ASP CB . 15964 1 138 . 1 1 21 21 ASP N N 15 129.309 0.5 . 1 . . . . 36 ASP N . 15964 1 139 . 1 1 22 22 HIS H H 1 9.041 0.02 . 1 . . . . 37 HIS H . 15964 1 140 . 1 1 22 22 HIS HA H 1 4.576 0.02 . 1 . . . . 37 HIS HA . 15964 1 141 . 1 1 22 22 HIS HB2 H 1 3.055 0.02 . 2 . . . . 37 HIS HB2 . 15964 1 142 . 1 1 22 22 HIS HB3 H 1 3.005 0.02 . 2 . . . . 37 HIS HB3 . 15964 1 143 . 1 1 22 22 HIS HD2 H 1 6.993 0.02 . 1 . . . . 37 HIS HD2 . 15964 1 144 . 1 1 22 22 HIS HE1 H 1 7.989 0.02 . 1 . . . . 37 HIS HE1 . 15964 1 145 . 1 1 22 22 HIS C C 13 175.118 0.5 . 1 . . . . 37 HIS C . 15964 1 146 . 1 1 22 22 HIS CA C 13 56.277 0.5 . 1 . . . . 37 HIS CA . 15964 1 147 . 1 1 22 22 HIS CB C 13 29.782 0.5 . 1 . . . . 37 HIS CB . 15964 1 148 . 1 1 22 22 HIS N N 15 116.804 0.5 . 1 . . . . 37 HIS N . 15964 1 149 . 1 1 23 23 ILE H H 1 6.449 0.02 . 1 . . . . 38 ILE H . 15964 1 150 . 1 1 23 23 ILE HA H 1 3.528 0.02 . 1 . . . . 38 ILE HA . 15964 1 151 . 1 1 23 23 ILE HB H 1 0.994 0.02 . 1 . . . . 38 ILE HB . 15964 1 152 . 1 1 23 23 ILE HD11 H 1 0.698 0.02 . 1 . . . . 38 ILE HD1 . 15964 1 153 . 1 1 23 23 ILE HD12 H 1 0.698 0.02 . 1 . . . . 38 ILE HD1 . 15964 1 154 . 1 1 23 23 ILE HD13 H 1 0.698 0.02 . 1 . . . . 38 ILE HD1 . 15964 1 155 . 1 1 23 23 ILE HG12 H 1 0.711 0.02 . 2 . . . . 38 ILE HG12 . 15964 1 156 . 1 1 23 23 ILE HG13 H 1 0.547 0.02 . 2 . . . . 38 ILE HG13 . 15964 1 157 . 1 1 23 23 ILE HG21 H 1 -0.662 0.02 . 1 . . . . 38 ILE HG2 . 15964 1 158 . 1 1 23 23 ILE HG22 H 1 -0.662 0.02 . 1 . . . . 38 ILE HG2 . 15964 1 159 . 1 1 23 23 ILE HG23 H 1 -0.662 0.02 . 1 . . . . 38 ILE HG2 . 15964 1 160 . 1 1 23 23 ILE C C 13 173.224 0.5 . 1 . . . . 38 ILE C . 15964 1 161 . 1 1 23 23 ILE CA C 13 59.071 0.5 . 1 . . . . 38 ILE CA . 15964 1 162 . 1 1 23 23 ILE CB C 13 39.334 0.5 . 1 . . . . 38 ILE CB . 15964 1 163 . 1 1 23 23 ILE CD1 C 13 12.851 0.5 . 1 . . . . 38 ILE CD1 . 15964 1 164 . 1 1 23 23 ILE CG1 C 13 28.088 0.5 . 1 . . . . 38 ILE CG1 . 15964 1 165 . 1 1 23 23 ILE CG2 C 13 16.762 0.5 . 1 . . . . 38 ILE CG2 . 15964 1 166 . 1 1 23 23 ILE N N 15 124.727 0.5 . 1 . . . . 38 ILE N . 15964 1 167 . 1 1 24 24 HIS H H 1 7.852 0.02 . 1 . . . . 39 HIS H . 15964 1 168 . 1 1 24 24 HIS HA H 1 4.634 0.02 . 1 . . . . 39 HIS HA . 15964 1 169 . 1 1 24 24 HIS HB2 H 1 2.974 0.02 . 2 . . . . 39 HIS HB2 . 15964 1 170 . 1 1 24 24 HIS HB3 H 1 2.808 0.02 . 2 . . . . 39 HIS HB3 . 15964 1 171 . 1 1 24 24 HIS HD2 H 1 6.988 0.02 . 1 . . . . 39 HIS HD2 . 15964 1 172 . 1 1 24 24 HIS HE1 H 1 8.003 0.02 . 1 . . . . 39 HIS HE1 . 15964 1 173 . 1 1 24 24 HIS C C 13 173.254 0.5 . 1 . . . . 39 HIS C . 15964 1 174 . 1 1 24 24 HIS CA C 13 52.99 0.5 . 1 . . . . 39 HIS CA . 15964 1 175 . 1 1 24 24 HIS CB C 13 28.721 0.5 . 1 . . . . 39 HIS CB . 15964 1 176 . 1 1 24 24 HIS N N 15 124.752 0.5 . 1 . . . . 39 HIS N . 15964 1 177 . 1 1 25 25 TRP H H 1 7.993 0.02 . 1 . . . . 40 TRP H . 15964 1 178 . 1 1 25 25 TRP HA H 1 4.736 0.02 . 1 . . . . 40 TRP HA . 15964 1 179 . 1 1 25 25 TRP HB2 H 1 3.382 0.02 . 2 . . . . 40 TRP HB2 . 15964 1 180 . 1 1 25 25 TRP HB3 H 1 2.725 0.02 . 2 . . . . 40 TRP HB3 . 15964 1 181 . 1 1 25 25 TRP HD1 H 1 7.241 0.02 . 1 . . . . 40 TRP HD1 . 15964 1 182 . 1 1 25 25 TRP HE1 H 1 10.599 0.02 . 1 . . . . 40 TRP HE1 . 15964 1 183 . 1 1 25 25 TRP HE3 H 1 7.392 0.02 . 1 . . . . 40 TRP HE3 . 15964 1 184 . 1 1 25 25 TRP HH2 H 1 6.881 0.02 . 1 . . . . 40 TRP HH2 . 15964 1 185 . 1 1 25 25 TRP HZ2 H 1 7.172 0.02 . 1 . . . . 40 TRP HZ2 . 15964 1 186 . 1 1 25 25 TRP HZ3 H 1 6.606 0.02 . 1 . . . . 40 TRP HZ3 . 15964 1 187 . 1 1 25 25 TRP C C 13 176.217 0.5 . 1 . . . . 40 TRP C . 15964 1 188 . 1 1 25 25 TRP CA C 13 56.955 0.5 . 1 . . . . 40 TRP CA . 15964 1 189 . 1 1 25 25 TRP CB C 13 30.129 0.5 . 1 . . . . 40 TRP CB . 15964 1 190 . 1 1 25 25 TRP CD1 C 13 129.636 0.5 . 1 . . . . 40 TRP CD1 . 15964 1 191 . 1 1 25 25 TRP CE3 C 13 120.84 0.5 . 1 . . . . 40 TRP CE3 . 15964 1 192 . 1 1 25 25 TRP CZ2 C 13 115.974 0.5 . 1 . . . . 40 TRP CZ2 . 15964 1 193 . 1 1 25 25 TRP CZ3 C 13 120.775 0.5 . 1 . . . . 40 TRP CZ3 . 15964 1 194 . 1 1 25 25 TRP N N 15 129.998 0.5 . 1 . . . . 40 TRP N . 15964 1 195 . 1 1 25 25 TRP NE1 N 15 132.109 0.5 . 1 . . . . 40 TRP NE1 . 15964 1 196 . 1 1 26 26 ARG H H 1 9.091 0.02 . 1 . . . . 41 ARG H . 15964 1 197 . 1 1 26 26 ARG HA H 1 4.964 0.02 . 1 . . . . 41 ARG HA . 15964 1 198 . 1 1 26 26 ARG HB2 H 1 2.101 0.02 . 2 . . . . 41 ARG HB2 . 15964 1 199 . 1 1 26 26 ARG HB3 H 1 1.485 0.02 . 2 . . . . 41 ARG HB3 . 15964 1 200 . 1 1 26 26 ARG HD2 H 1 2.954 0.02 . 2 . . . . 41 ARG HD2 . 15964 1 201 . 1 1 26 26 ARG HD3 H 1 2.698 0.02 . 2 . . . . 41 ARG HD3 . 15964 1 202 . 1 1 26 26 ARG HG2 H 1 1.794 0.02 . 2 . . . . 41 ARG HG2 . 15964 1 203 . 1 1 26 26 ARG HG3 H 1 1.692 0.02 . 2 . . . . 41 ARG HG3 . 15964 1 204 . 1 1 26 26 ARG C C 13 177.301 0.5 . 1 . . . . 41 ARG C . 15964 1 205 . 1 1 26 26 ARG CA C 13 54.366 0.5 . 1 . . . . 41 ARG CA . 15964 1 206 . 1 1 26 26 ARG CB C 13 34.903 0.5 . 1 . . . . 41 ARG CB . 15964 1 207 . 1 1 26 26 ARG CD C 13 44.215 0.5 . 1 . . . . 41 ARG CD . 15964 1 208 . 1 1 26 26 ARG CG C 13 28.145 0.5 . 1 . . . . 41 ARG CG . 15964 1 209 . 1 1 26 26 ARG N N 15 121.987 0.5 . 1 . . . . 41 ARG N . 15964 1 210 . 1 1 27 27 THR H H 1 8.532 0.02 . 1 . . . . 42 THR H . 15964 1 211 . 1 1 27 27 THR HA H 1 4.531 0.02 . 1 . . . . 42 THR HA . 15964 1 212 . 1 1 27 27 THR HB H 1 4.685 0.02 . 1 . . . . 42 THR HB . 15964 1 213 . 1 1 27 27 THR HG21 H 1 1.404 0.02 . 1 . . . . 42 THR HG2 . 15964 1 214 . 1 1 27 27 THR HG22 H 1 1.404 0.02 . 1 . . . . 42 THR HG2 . 15964 1 215 . 1 1 27 27 THR HG23 H 1 1.404 0.02 . 1 . . . . 42 THR HG2 . 15964 1 216 . 1 1 27 27 THR C C 13 176.109 0.5 . 1 . . . . 42 THR C . 15964 1 217 . 1 1 27 27 THR CA C 13 61.316 0.5 . 1 . . . . 42 THR CA . 15964 1 218 . 1 1 27 27 THR CB C 13 70.323 0.5 . 1 . . . . 42 THR CB . 15964 1 219 . 1 1 27 27 THR CG2 C 13 22.267 0.5 . 1 . . . . 42 THR CG2 . 15964 1 220 . 1 1 27 27 THR N N 15 111.304 0.5 . 1 . . . . 42 THR N . 15964 1 221 . 1 1 28 28 LEU H H 1 8.983 0.02 . 1 . . . . 43 LEU H . 15964 1 222 . 1 1 28 28 LEU HA H 1 4.013 0.02 . 1 . . . . 43 LEU HA . 15964 1 223 . 1 1 28 28 LEU HB2 H 1 1.907 0.02 . 2 . . . . 43 LEU HB2 . 15964 1 224 . 1 1 28 28 LEU HB3 H 1 1.404 0.02 . 2 . . . . 43 LEU HB3 . 15964 1 225 . 1 1 28 28 LEU HD11 H 1 0.901 0.02 . 2 . . . . 43 LEU HD1 . 15964 1 226 . 1 1 28 28 LEU HD12 H 1 0.901 0.02 . 2 . . . . 43 LEU HD1 . 15964 1 227 . 1 1 28 28 LEU HD13 H 1 0.901 0.02 . 2 . . . . 43 LEU HD1 . 15964 1 228 . 1 1 28 28 LEU HD21 H 1 0.81 0.02 . 2 . . . . 43 LEU HD2 . 15964 1 229 . 1 1 28 28 LEU HD22 H 1 0.81 0.02 . 2 . . . . 43 LEU HD2 . 15964 1 230 . 1 1 28 28 LEU HD23 H 1 0.81 0.02 . 2 . . . . 43 LEU HD2 . 15964 1 231 . 1 1 28 28 LEU HG H 1 1.557 0.02 . 1 . . . . 43 LEU HG . 15964 1 232 . 1 1 28 28 LEU C C 13 178.432 0.5 . 1 . . . . 43 LEU C . 15964 1 233 . 1 1 28 28 LEU CA C 13 59.055 0.5 . 1 . . . . 43 LEU CA . 15964 1 234 . 1 1 28 28 LEU CB C 13 41.563 0.5 . 1 . . . . 43 LEU CB . 15964 1 235 . 1 1 28 28 LEU CD1 C 13 29.46 0.5 . 2 . . . . 43 LEU CD1 . 15964 1 236 . 1 1 28 28 LEU CD2 C 13 25.786 0.5 . 2 . . . . 43 LEU CD2 . 15964 1 237 . 1 1 28 28 LEU CG C 13 27.168 0.5 . 1 . . . . 43 LEU CG . 15964 1 238 . 1 1 28 28 LEU N N 15 122.019 0.5 . 1 . . . . 43 LEU N . 15964 1 239 . 1 1 29 29 GLU H H 1 8.745 0.02 . 1 . . . . 44 GLU H . 15964 1 240 . 1 1 29 29 GLU HA H 1 3.989 0.02 . 1 . . . . 44 GLU HA . 15964 1 241 . 1 1 29 29 GLU HB2 H 1 2.007 0.02 . 1 . . . . 44 GLU HB2 . 15964 1 242 . 1 1 29 29 GLU HB3 H 1 2.007 0.02 . 1 . . . . 44 GLU HB3 . 15964 1 243 . 1 1 29 29 GLU HG2 H 1 2.303 0.02 . 1 . . . . 44 GLU HG2 . 15964 1 244 . 1 1 29 29 GLU HG3 H 1 2.303 0.02 . 1 . . . . 44 GLU HG3 . 15964 1 245 . 1 1 29 29 GLU C C 13 179.941 0.5 . 1 . . . . 44 GLU C . 15964 1 246 . 1 1 29 29 GLU CA C 13 60.057 0.5 . 1 . . . . 44 GLU CA . 15964 1 247 . 1 1 29 29 GLU CB C 13 28.934 0.5 . 1 . . . . 44 GLU CB . 15964 1 248 . 1 1 29 29 GLU CG C 13 36.408 0.5 . 1 . . . . 44 GLU CG . 15964 1 249 . 1 1 29 29 GLU N N 15 116.617 0.5 . 1 . . . . 44 GLU N . 15964 1 250 . 1 1 30 30 ASP H H 1 7.659 0.02 . 1 . . . . 45 ASP H . 15964 1 251 . 1 1 30 30 ASP HA H 1 4.436 0.02 . 1 . . . . 45 ASP HA . 15964 1 252 . 1 1 30 30 ASP HB2 H 1 2.735 0.02 . 2 . . . . 45 ASP HB2 . 15964 1 253 . 1 1 30 30 ASP HB3 H 1 2.647 0.02 . 2 . . . . 45 ASP HB3 . 15964 1 254 . 1 1 30 30 ASP C C 13 179.564 0.5 . 1 . . . . 45 ASP C . 15964 1 255 . 1 1 30 30 ASP CA C 13 57.072 0.5 . 1 . . . . 45 ASP CA . 15964 1 256 . 1 1 30 30 ASP CB C 13 40.059 0.5 . 1 . . . . 45 ASP CB . 15964 1 257 . 1 1 30 30 ASP N N 15 119.194 0.5 . 1 . . . . 45 ASP N . 15964 1 258 . 1 1 31 31 GLY H H 1 9.187 0.02 . 1 . . . . 46 GLY H . 15964 1 259 . 1 1 31 31 GLY HA2 H 1 3.65 0.02 . 2 . . . . 46 GLY HA2 . 15964 1 260 . 1 1 31 31 GLY HA3 H 1 3.432 0.02 . 2 . . . . 46 GLY HA3 . 15964 1 261 . 1 1 31 31 GLY C C 13 175.363 0.5 . 1 . . . . 46 GLY C . 15964 1 262 . 1 1 31 31 GLY CA C 13 47.225 0.5 . 1 . . . . 46 GLY CA . 15964 1 263 . 1 1 31 31 GLY N N 15 111.524 0.5 . 1 . . . . 46 GLY N . 15964 1 264 . 1 1 32 32 LYS H H 1 8.677 0.02 . 1 . . . . 47 LYS H . 15964 1 265 . 1 1 32 32 LYS HA H 1 3.923 0.02 . 5 . . . . 47 LYS HA . 15964 1 266 . 1 1 32 32 LYS HB2 H 1 1.868 0.02 . 5 . . . . 47 LYS HB2 . 15964 1 267 . 1 1 32 32 LYS HB3 H 1 1.868 0.02 . 5 . . . . 47 LYS HB3 . 15964 1 268 . 1 1 32 32 LYS HD2 H 1 1.617 0.02 . 5 . . . . 47 LYS HD2 . 15964 1 269 . 1 1 32 32 LYS HD3 H 1 1.617 0.02 . 5 . . . . 47 LYS HD3 . 15964 1 270 . 1 1 32 32 LYS HE2 H 1 2.892 0.02 . 5 . . . . 47 LYS HE2 . 15964 1 271 . 1 1 32 32 LYS HE3 H 1 2.818 0.02 . 5 . . . . 47 LYS HE3 . 15964 1 272 . 1 1 32 32 LYS HG2 H 1 1.725 0.02 . 5 . . . . 47 LYS HG2 . 15964 1 273 . 1 1 32 32 LYS HG3 H 1 1.368 0.02 . 5 . . . . 47 LYS HG3 . 15964 1 274 . 1 1 32 32 LYS C C 13 180 0.5 . 1 . . . . 47 LYS C . 15964 1 275 . 1 1 32 32 LYS CA C 13 60.941 0.5 . 5 . . . . 47 LYS CA . 15964 1 276 . 1 1 32 32 LYS CB C 13 32.222 0.5 . 5 . . . . 47 LYS CB . 15964 1 277 . 1 1 32 32 LYS CD C 13 29.711 0.5 . 5 . . . . 47 LYS CD . 15964 1 278 . 1 1 32 32 LYS CE C 13 42.182 0.5 . 5 . . . . 47 LYS CE . 15964 1 279 . 1 1 32 32 LYS CG C 13 26.613 0.5 . 5 . . . . 47 LYS CG . 15964 1 280 . 1 1 32 32 LYS N N 15 121.592 0.5 . 1 . . . . 47 LYS N . 15964 1 281 . 1 1 33 33 LYS H H 1 7.201 0.02 . 1 . . . . 48 LYS H . 15964 1 282 . 1 1 33 33 LYS HA H 1 4.12 0.02 . 1 . . . . 48 LYS HA . 15964 1 283 . 1 1 33 33 LYS HB2 H 1 1.982 0.02 . 1 . . . . 48 LYS HB2 . 15964 1 284 . 1 1 33 33 LYS HB3 H 1 1.982 0.02 . 1 . . . . 48 LYS HB3 . 15964 1 285 . 1 1 33 33 LYS HD2 H 1 1.731 0.02 . 1 . . . . 48 LYS HD2 . 15964 1 286 . 1 1 33 33 LYS HD3 H 1 1.731 0.02 . 1 . . . . 48 LYS HD3 . 15964 1 287 . 1 1 33 33 LYS HE2 H 1 2.993 0.02 . 1 . . . . 48 LYS HE2 . 15964 1 288 . 1 1 33 33 LYS HE3 H 1 2.993 0.02 . 1 . . . . 48 LYS HE3 . 15964 1 289 . 1 1 33 33 LYS HG2 H 1 1.714 0.02 . 2 . . . . 48 LYS HG2 . 15964 1 290 . 1 1 33 33 LYS HG3 H 1 1.435 0.02 . 2 . . . . 48 LYS HG3 . 15964 1 291 . 1 1 33 33 LYS C C 13 179.154 0.5 . 1 . . . . 48 LYS C . 15964 1 292 . 1 1 33 33 LYS CA C 13 59.746 0.5 . 1 . . . . 48 LYS CA . 15964 1 293 . 1 1 33 33 LYS CB C 13 32.495 0.5 . 1 . . . . 48 LYS CB . 15964 1 294 . 1 1 33 33 LYS CD C 13 29.432 0.5 . 1 . . . . 48 LYS CD . 15964 1 295 . 1 1 33 33 LYS CE C 13 41.995 0.5 . 1 . . . . 48 LYS CE . 15964 1 296 . 1 1 33 33 LYS CG C 13 25.23 0.5 . 1 . . . . 48 LYS CG . 15964 1 297 . 1 1 33 33 LYS N N 15 120.013 0.5 . 1 . . . . 48 LYS N . 15964 1 298 . 1 1 34 34 GLU H H 1 8.144 0.02 . 1 . . . . 49 GLU H . 15964 1 299 . 1 1 34 34 GLU HA H 1 4.081 0.02 . 1 . . . . 49 GLU HA . 15964 1 300 . 1 1 34 34 GLU HB2 H 1 2.08 0.02 . 1 . . . . 49 GLU HB2 . 15964 1 301 . 1 1 34 34 GLU HB3 H 1 2.08 0.02 . 1 . . . . 49 GLU HB3 . 15964 1 302 . 1 1 34 34 GLU HG2 H 1 2.364 0.02 . 1 . . . . 49 GLU HG2 . 15964 1 303 . 1 1 34 34 GLU HG3 H 1 2.364 0.02 . 1 . . . . 49 GLU HG3 . 15964 1 304 . 1 1 34 34 GLU C C 13 179.541 0.5 . 1 . . . . 49 GLU C . 15964 1 305 . 1 1 34 34 GLU CA C 13 58.815 0.5 . 1 . . . . 49 GLU CA . 15964 1 306 . 1 1 34 34 GLU CB C 13 28.873 0.5 . 1 . . . . 49 GLU CB . 15964 1 307 . 1 1 34 34 GLU CG C 13 34.919 0.5 . 1 . . . . 49 GLU CG . 15964 1 308 . 1 1 34 34 GLU N N 15 121.888 0.5 . 1 . . . . 49 GLU N . 15964 1 309 . 1 1 35 35 ALA H H 1 9.111 0.02 . 1 . . . . 50 ALA H . 15964 1 310 . 1 1 35 35 ALA HA H 1 3.955 0.02 . 1 . . . . 50 ALA HA . 15964 1 311 . 1 1 35 35 ALA HB1 H 1 1.666 0.02 . 1 . . . . 50 ALA HB . 15964 1 312 . 1 1 35 35 ALA HB2 H 1 1.666 0.02 . 1 . . . . 50 ALA HB . 15964 1 313 . 1 1 35 35 ALA HB3 H 1 1.666 0.02 . 1 . . . . 50 ALA HB . 15964 1 314 . 1 1 35 35 ALA C C 13 179.283 0.5 . 1 . . . . 50 ALA C . 15964 1 315 . 1 1 35 35 ALA CA C 13 55.948 0.5 . 1 . . . . 50 ALA CA . 15964 1 316 . 1 1 35 35 ALA CB C 13 19.386 0.5 . 1 . . . . 50 ALA CB . 15964 1 317 . 1 1 35 35 ALA N N 15 125.171 0.5 . 1 . . . . 50 ALA N . 15964 1 318 . 1 1 36 36 ALA H H 1 7.516 0.02 . 1 . . . . 51 ALA H . 15964 1 319 . 1 1 36 36 ALA HA H 1 4.084 0.02 . 1 . . . . 51 ALA HA . 15964 1 320 . 1 1 36 36 ALA HB1 H 1 1.51 0.02 . 1 . . . . 51 ALA HB . 15964 1 321 . 1 1 36 36 ALA HB2 H 1 1.51 0.02 . 1 . . . . 51 ALA HB . 15964 1 322 . 1 1 36 36 ALA HB3 H 1 1.51 0.02 . 1 . . . . 51 ALA HB . 15964 1 323 . 1 1 36 36 ALA C C 13 180.391 0.5 . 1 . . . . 51 ALA C . 15964 1 324 . 1 1 36 36 ALA CA C 13 54.42 0.5 . 1 . . . . 51 ALA CA . 15964 1 325 . 1 1 36 36 ALA CB C 13 17.918 0.5 . 1 . . . . 51 ALA CB . 15964 1 326 . 1 1 36 36 ALA N N 15 118.246 0.5 . 1 . . . . 51 ALA N . 15964 1 327 . 1 1 37 37 ALA H H 1 7.52 0.02 . 1 . . . . 52 ALA H . 15964 1 328 . 1 1 37 37 ALA HA H 1 4.275 0.02 . 1 . . . . 52 ALA HA . 15964 1 329 . 1 1 37 37 ALA HB1 H 1 1.53 0.02 . 1 . . . . 52 ALA HB . 15964 1 330 . 1 1 37 37 ALA HB2 H 1 1.53 0.02 . 1 . . . . 52 ALA HB . 15964 1 331 . 1 1 37 37 ALA HB3 H 1 1.53 0.02 . 1 . . . . 52 ALA HB . 15964 1 332 . 1 1 37 37 ALA C C 13 179.391 0.5 . 1 . . . . 52 ALA C . 15964 1 333 . 1 1 37 37 ALA CA C 13 54.136 0.5 . 1 . . . . 52 ALA CA . 15964 1 334 . 1 1 37 37 ALA CB C 13 18.938 0.5 . 1 . . . . 52 ALA CB . 15964 1 335 . 1 1 37 37 ALA N N 15 118.674 0.5 . 1 . . . . 52 ALA N . 15964 1 336 . 1 1 38 38 SER H H 1 8.298 0.02 . 1 . . . . 53 SER H . 15964 1 337 . 1 1 38 38 SER HA H 1 4.515 0.02 . 1 . . . . 53 SER HA . 15964 1 338 . 1 1 38 38 SER HB2 H 1 3.948 0.02 . 2 . . . . 53 SER HB2 . 15964 1 339 . 1 1 38 38 SER HB3 H 1 3.845 0.02 . 2 . . . . 53 SER HB3 . 15964 1 340 . 1 1 38 38 SER C C 13 175.323 0.5 . 1 . . . . 53 SER C . 15964 1 341 . 1 1 38 38 SER CA C 13 58.899 0.5 . 1 . . . . 53 SER CA . 15964 1 342 . 1 1 38 38 SER CB C 13 65.215 0.5 . 1 . . . . 53 SER CB . 15964 1 343 . 1 1 38 38 SER N N 15 110.954 0.5 . 1 . . . . 53 SER N . 15964 1 344 . 1 1 39 39 GLY H H 1 8.416 0.02 . 1 . . . . 54 GLY H . 15964 1 345 . 1 1 39 39 GLY HA2 H 1 4.038 0.02 . 2 . . . . 54 GLY HA2 . 15964 1 346 . 1 1 39 39 GLY HA3 H 1 3.672 0.02 . 2 . . . . 54 GLY HA3 . 15964 1 347 . 1 1 39 39 GLY C C 13 173.367 0.5 . 1 . . . . 54 GLY C . 15964 1 348 . 1 1 39 39 GLY CA C 13 46.444 0.5 . 1 . . . . 54 GLY CA . 15964 1 349 . 1 1 39 39 GLY N N 15 112.497 0.5 . 1 . . . . 54 GLY N . 15964 1 350 . 1 1 40 40 LEU H H 1 7.552 0.02 . 1 . . . . 55 LEU H . 15964 1 351 . 1 1 40 40 LEU HA H 1 4.749 0.02 . 1 . . . . 55 LEU HA . 15964 1 352 . 1 1 40 40 LEU HB2 H 1 1.376 0.02 . 1 . . . . 55 LEU HB2 . 15964 1 353 . 1 1 40 40 LEU HB3 H 1 1.376 0.02 . 1 . . . . 55 LEU HB3 . 15964 1 354 . 1 1 40 40 LEU HD11 H 1 0.668 0.02 . 2 . . . . 55 LEU HD1 . 15964 1 355 . 1 1 40 40 LEU HD12 H 1 0.668 0.02 . 2 . . . . 55 LEU HD1 . 15964 1 356 . 1 1 40 40 LEU HD13 H 1 0.668 0.02 . 2 . . . . 55 LEU HD1 . 15964 1 357 . 1 1 40 40 LEU HD21 H 1 0.67 0.02 . 2 . . . . 55 LEU HD2 . 15964 1 358 . 1 1 40 40 LEU HD22 H 1 0.67 0.02 . 2 . . . . 55 LEU HD2 . 15964 1 359 . 1 1 40 40 LEU HD23 H 1 0.67 0.02 . 2 . . . . 55 LEU HD2 . 15964 1 360 . 1 1 40 40 LEU HG H 1 1.424 0.02 . 1 . . . . 55 LEU HG . 15964 1 361 . 1 1 40 40 LEU CA C 13 52.026 0.5 . 1 . . . . 55 LEU CA . 15964 1 362 . 1 1 40 40 LEU CB C 13 43.042 0.5 . 1 . . . . 55 LEU CB . 15964 1 363 . 1 1 40 40 LEU CD1 C 13 25.218 0.5 . 2 . . . . 55 LEU CD1 . 15964 1 364 . 1 1 40 40 LEU CD2 C 13 22.346 0.5 . 2 . . . . 55 LEU CD2 . 15964 1 365 . 1 1 40 40 LEU CG C 13 26.15 0.5 . 1 . . . . 55 LEU CG . 15964 1 366 . 1 1 40 40 LEU N N 15 121.356 0.5 . 1 . . . . 55 LEU N . 15964 1 367 . 1 1 41 41 PRO HA H 1 4.342 0.02 . 1 . . . . 56 PRO HA . 15964 1 368 . 1 1 41 41 PRO HB2 H 1 2.164 0.02 . 1 . . . . 56 PRO HB2 . 15964 1 369 . 1 1 41 41 PRO HB3 H 1 2.164 0.02 . 1 . . . . 56 PRO HB3 . 15964 1 370 . 1 1 41 41 PRO HD2 H 1 3.555 0.02 . 1 . . . . 56 PRO HD2 . 15964 1 371 . 1 1 41 41 PRO HD3 H 1 3.555 0.02 . 1 . . . . 56 PRO HD3 . 15964 1 372 . 1 1 41 41 PRO HG2 H 1 1.99 0.02 . 1 . . . . 56 PRO HG2 . 15964 1 373 . 1 1 41 41 PRO HG3 H 1 1.99 0.02 . 1 . . . . 56 PRO HG3 . 15964 1 374 . 1 1 41 41 PRO C C 13 175.034 0.5 . 1 . . . . 56 PRO C . 15964 1 375 . 1 1 41 41 PRO CA C 13 61.669 0.5 . 1 . . . . 56 PRO CA . 15964 1 376 . 1 1 41 41 PRO CB C 13 32.371 0.5 . 1 . . . . 56 PRO CB . 15964 1 377 . 1 1 41 41 PRO CG C 13 26.568 0.5 . 1 . . . . 56 PRO CG . 15964 1 378 . 1 1 42 42 LEU H H 1 8.413 0.02 . 1 . . . . 57 LEU H . 15964 1 379 . 1 1 42 42 LEU HA H 1 5.576 0.02 . 1 . . . . 57 LEU HA . 15964 1 380 . 1 1 42 42 LEU HB2 H 1 1.581 0.02 . 2 . . . . 57 LEU HB2 . 15964 1 381 . 1 1 42 42 LEU HB3 H 1 1.544 0.02 . 2 . . . . 57 LEU HB3 . 15964 1 382 . 1 1 42 42 LEU HD11 H 1 0.804 0.02 . 2 . . . . 57 LEU HD1 . 15964 1 383 . 1 1 42 42 LEU HD12 H 1 0.804 0.02 . 2 . . . . 57 LEU HD1 . 15964 1 384 . 1 1 42 42 LEU HD13 H 1 0.804 0.02 . 2 . . . . 57 LEU HD1 . 15964 1 385 . 1 1 42 42 LEU HD21 H 1 0.611 0.02 . 2 . . . . 57 LEU HD2 . 15964 1 386 . 1 1 42 42 LEU HD22 H 1 0.611 0.02 . 2 . . . . 57 LEU HD2 . 15964 1 387 . 1 1 42 42 LEU HD23 H 1 0.611 0.02 . 2 . . . . 57 LEU HD2 . 15964 1 388 . 1 1 42 42 LEU HG H 1 1.444 0.02 . 1 . . . . 57 LEU HG . 15964 1 389 . 1 1 42 42 LEU C C 13 175.38 0.5 . 1 . . . . 57 LEU C . 15964 1 390 . 1 1 42 42 LEU CA C 13 54.956 0.5 . 1 . . . . 57 LEU CA . 15964 1 391 . 1 1 42 42 LEU CB C 13 44.266 0.5 . 1 . . . . 57 LEU CB . 15964 1 392 . 1 1 42 42 LEU CD1 C 13 27.144 0.5 . 2 . . . . 57 LEU CD1 . 15964 1 393 . 1 1 42 42 LEU CD2 C 13 27.265 0.5 . 2 . . . . 57 LEU CD2 . 15964 1 394 . 1 1 42 42 LEU CG C 13 29.31 0.5 . 1 . . . . 57 LEU CG . 15964 1 395 . 1 1 42 42 LEU N N 15 116.175 0.5 . 1 . . . . 57 LEU N . 15964 1 396 . 1 1 43 43 MET H H 1 8.577 0.02 . 1 . . . . 58 MET H . 15964 1 397 . 1 1 43 43 MET HA H 1 4.45 0.02 . 1 . . . . 58 MET HA . 15964 1 398 . 1 1 43 43 MET HB2 H 1 2.25 0.02 . 2 . . . . 58 MET HB2 . 15964 1 399 . 1 1 43 43 MET HB3 H 1 1.104 0.02 . 2 . . . . 58 MET HB3 . 15964 1 400 . 1 1 43 43 MET HE1 H 1 2.195 0.02 . 1 . . . . 58 MET HE . 15964 1 401 . 1 1 43 43 MET HE2 H 1 2.195 0.02 . 1 . . . . 58 MET HE . 15964 1 402 . 1 1 43 43 MET HE3 H 1 2.195 0.02 . 1 . . . . 58 MET HE . 15964 1 403 . 1 1 43 43 MET HG2 H 1 2.745 0.02 . 2 . . . . 58 MET HG2 . 15964 1 404 . 1 1 43 43 MET HG3 H 1 2.579 0.02 . 2 . . . . 58 MET HG3 . 15964 1 405 . 1 1 43 43 MET C C 13 172.684 0.5 . 1 . . . . 58 MET C . 15964 1 406 . 1 1 43 43 MET CA C 13 54.743 0.5 . 1 . . . . 58 MET CA . 15964 1 407 . 1 1 43 43 MET CB C 13 34.179 0.5 . 1 . . . . 58 MET CB . 15964 1 408 . 1 1 43 43 MET CG C 13 32.204 0.5 . 1 . . . . 58 MET CG . 15964 1 409 . 1 1 43 43 MET N N 15 124.866 0.5 . 1 . . . . 58 MET N . 15964 1 410 . 1 1 44 44 VAL H H 1 8.734 0.02 . 1 . . . . 59 VAL H . 15964 1 411 . 1 1 44 44 VAL HA H 1 4.988 0.02 . 1 . . . . 59 VAL HA . 15964 1 412 . 1 1 44 44 VAL HB H 1 1.794 0.02 . 1 . . . . 59 VAL HB . 15964 1 413 . 1 1 44 44 VAL HG11 H 1 0.75 0.02 . 2 . . . . 59 VAL HG1 . 15964 1 414 . 1 1 44 44 VAL HG12 H 1 0.75 0.02 . 2 . . . . 59 VAL HG1 . 15964 1 415 . 1 1 44 44 VAL HG13 H 1 0.75 0.02 . 2 . . . . 59 VAL HG1 . 15964 1 416 . 1 1 44 44 VAL HG21 H 1 0.712 0.02 . 2 . . . . 59 VAL HG2 . 15964 1 417 . 1 1 44 44 VAL HG22 H 1 0.712 0.02 . 2 . . . . 59 VAL HG2 . 15964 1 418 . 1 1 44 44 VAL HG23 H 1 0.712 0.02 . 2 . . . . 59 VAL HG2 . 15964 1 419 . 1 1 44 44 VAL C C 13 173.885 0.5 . 1 . . . . 59 VAL C . 15964 1 420 . 1 1 44 44 VAL CA C 13 60.094 0.5 . 1 . . . . 59 VAL CA . 15964 1 421 . 1 1 44 44 VAL CB C 13 33.899 0.5 . 1 . . . . 59 VAL CB . 15964 1 422 . 1 1 44 44 VAL CG1 C 13 22.147 0.5 . 2 . . . . 59 VAL CG1 . 15964 1 423 . 1 1 44 44 VAL CG2 C 13 21.527 0.5 . 2 . . . . 59 VAL CG2 . 15964 1 424 . 1 1 44 44 VAL N N 15 125.168 0.5 . 1 . . . . 59 VAL N . 15964 1 425 . 1 1 45 45 ILE H H 1 8.492 0.02 . 1 . . . . 60 ILE H . 15964 1 426 . 1 1 45 45 ILE HA H 1 4.589 0.02 . 1 . . . . 60 ILE HA . 15964 1 427 . 1 1 45 45 ILE HB H 1 1.042 0.02 . 1 . . . . 60 ILE HB . 15964 1 428 . 1 1 45 45 ILE HD11 H 1 0.211 0.02 . 1 . . . . 60 ILE HD1 . 15964 1 429 . 1 1 45 45 ILE HD12 H 1 0.211 0.02 . 1 . . . . 60 ILE HD1 . 15964 1 430 . 1 1 45 45 ILE HD13 H 1 0.211 0.02 . 1 . . . . 60 ILE HD1 . 15964 1 431 . 1 1 45 45 ILE HG12 H 1 1.308 0.02 . 2 . . . . 60 ILE HG12 . 15964 1 432 . 1 1 45 45 ILE HG13 H 1 0.461 0.02 . 2 . . . . 60 ILE HG13 . 15964 1 433 . 1 1 45 45 ILE HG21 H 1 0.027 0.02 . 1 . . . . 60 ILE HG2 . 15964 1 434 . 1 1 45 45 ILE HG22 H 1 0.027 0.02 . 1 . . . . 60 ILE HG2 . 15964 1 435 . 1 1 45 45 ILE HG23 H 1 0.027 0.02 . 1 . . . . 60 ILE HG2 . 15964 1 436 . 1 1 45 45 ILE C C 13 175.383 0.5 . 1 . . . . 60 ILE C . 15964 1 437 . 1 1 45 45 ILE CA C 13 59.864 0.5 . 1 . . . . 60 ILE CA . 15964 1 438 . 1 1 45 45 ILE CB C 13 40.498 0.5 . 1 . . . . 60 ILE CB . 15964 1 439 . 1 1 45 45 ILE CD1 C 13 15.688 0.5 . 1 . . . . 60 ILE CD1 . 15964 1 440 . 1 1 45 45 ILE CG1 C 13 27.7 0.5 . 1 . . . . 60 ILE CG1 . 15964 1 441 . 1 1 45 45 ILE CG2 C 13 16.657 0.5 . 1 . . . . 60 ILE CG2 . 15964 1 442 . 1 1 45 45 ILE N N 15 125.652 0.5 . 1 . . . . 60 ILE N . 15964 1 443 . 1 1 46 46 ILE H H 1 9.535 0.02 . 1 . . . . 61 ILE H . 15964 1 444 . 1 1 46 46 ILE HA H 1 4.811 0.02 . 1 . . . . 61 ILE HA . 15964 1 445 . 1 1 46 46 ILE HB H 1 1.761 0.02 . 1 . . . . 61 ILE HB . 15964 1 446 . 1 1 46 46 ILE HD11 H 1 0.931 0.02 . 1 . . . . 61 ILE HD1 . 15964 1 447 . 1 1 46 46 ILE HD12 H 1 0.931 0.02 . 1 . . . . 61 ILE HD1 . 15964 1 448 . 1 1 46 46 ILE HD13 H 1 0.931 0.02 . 1 . . . . 61 ILE HD1 . 15964 1 449 . 1 1 46 46 ILE HG12 H 1 1.643 0.02 . 1 . . . . 61 ILE HG12 . 15964 1 450 . 1 1 46 46 ILE HG13 H 1 1.643 0.02 . 1 . . . . 61 ILE HG13 . 15964 1 451 . 1 1 46 46 ILE HG21 H 1 0.824 0.02 . 1 . . . . 61 ILE HG2 . 15964 1 452 . 1 1 46 46 ILE HG22 H 1 0.824 0.02 . 1 . . . . 61 ILE HG2 . 15964 1 453 . 1 1 46 46 ILE HG23 H 1 0.824 0.02 . 1 . . . . 61 ILE HG2 . 15964 1 454 . 1 1 46 46 ILE C C 13 174.751 0.5 . 1 . . . . 61 ILE C . 15964 1 455 . 1 1 46 46 ILE CA C 13 61.357 0.5 . 1 . . . . 61 ILE CA . 15964 1 456 . 1 1 46 46 ILE CB C 13 39.132 0.5 . 1 . . . . 61 ILE CB . 15964 1 457 . 1 1 46 46 ILE CD1 C 13 14.278 0.5 . 1 . . . . 61 ILE CD1 . 15964 1 458 . 1 1 46 46 ILE CG1 C 13 27.602 0.5 . 1 . . . . 61 ILE CG1 . 15964 1 459 . 1 1 46 46 ILE CG2 C 13 17.216 0.5 . 1 . . . . 61 ILE CG2 . 15964 1 460 . 1 1 46 46 ILE N N 15 129.866 0.5 . 1 . . . . 61 ILE N . 15964 1 461 . 1 1 47 47 HIS H H 1 9.002 0.02 . 1 . . . . 62 HIS H . 15964 1 462 . 1 1 47 47 HIS HA H 1 4.756 0.02 . 1 . . . . 62 HIS HA . 15964 1 463 . 1 1 47 47 HIS HB2 H 1 2.966 0.02 . 1 . . . . 62 HIS HB2 . 15964 1 464 . 1 1 47 47 HIS HB3 H 1 2.966 0.02 . 1 . . . . 62 HIS HB3 . 15964 1 465 . 1 1 47 47 HIS HD2 H 1 6.656 0.02 . 1 . . . . 62 HIS HD2 . 15964 1 466 . 1 1 47 47 HIS HE1 H 1 7.61 0.02 . 1 . . . . 62 HIS HE1 . 15964 1 467 . 1 1 47 47 HIS C C 13 171.722 0.5 . 1 . . . . 62 HIS C . 15964 1 468 . 1 1 47 47 HIS CA C 13 54.438 0.5 . 1 . . . . 62 HIS CA . 15964 1 469 . 1 1 47 47 HIS CB C 13 34.604 0.5 . 1 . . . . 62 HIS CB . 15964 1 470 . 1 1 47 47 HIS N N 15 121.866 0.5 . 1 . . . . 62 HIS N . 15964 1 471 . 1 1 48 48 LYS H H 1 6.78 0.02 . 1 . . . . 63 LYS H . 15964 1 472 . 1 1 48 48 LYS HA H 1 4.997 0.02 . 1 . . . . 63 LYS HA . 15964 1 473 . 1 1 48 48 LYS HB2 H 1 1.72 0.02 . 2 . . . . 63 LYS HB2 . 15964 1 474 . 1 1 48 48 LYS HB3 H 1 0.566 0.02 . 2 . . . . 63 LYS HB3 . 15964 1 475 . 1 1 48 48 LYS HD2 H 1 1.895 0.02 . 1 . . . . 63 LYS HD2 . 15964 1 476 . 1 1 48 48 LYS HD3 H 1 1.895 0.02 . 1 . . . . 63 LYS HD3 . 15964 1 477 . 1 1 48 48 LYS HE2 H 1 2.95 0.02 . 1 . . . . 63 LYS HE2 . 15964 1 478 . 1 1 48 48 LYS HE3 H 1 2.95 0.02 . 1 . . . . 63 LYS HE3 . 15964 1 479 . 1 1 48 48 LYS HG2 H 1 1.309 0.02 . 1 . . . . 63 LYS HG2 . 15964 1 480 . 1 1 48 48 LYS HG3 H 1 1.309 0.02 . 1 . . . . 63 LYS HG3 . 15964 1 481 . 1 1 48 48 LYS C C 13 177.492 0.5 . 1 . . . . 63 LYS C . 15964 1 482 . 1 1 48 48 LYS CA C 13 52.888 0.5 . 1 . . . . 63 LYS CA . 15964 1 483 . 1 1 48 48 LYS CB C 13 34.61 0.5 . 1 . . . . 63 LYS CB . 15964 1 484 . 1 1 48 48 LYS N N 15 113.6 0.5 . 1 . . . . 63 LYS N . 15964 1 485 . 1 1 49 49 SER H H 1 10.858 0.02 . 1 . . . . 64 SER H . 15964 1 486 . 1 1 49 49 SER HA H 1 4.209 0.02 . 1 . . . . 64 SER HA . 15964 1 487 . 1 1 49 49 SER HB2 H 1 3.831 0.02 . 1 . . . . 64 SER HB2 . 15964 1 488 . 1 1 49 49 SER HB3 H 1 3.831 0.02 . 1 . . . . 64 SER HB3 . 15964 1 489 . 1 1 49 49 SER C C 13 175.485 0.5 . 1 . . . . 64 SER C . 15964 1 490 . 1 1 49 49 SER CA C 13 60.72 0.5 . 1 . . . . 64 SER CA . 15964 1 491 . 1 1 49 49 SER CB C 13 62.357 0.5 . 1 . . . . 64 SER CB . 15964 1 492 . 1 1 49 49 SER N N 15 123.052 0.5 . 1 . . . . 64 SER N . 15964 1 493 . 1 1 50 50 TRP H H 1 6.786 0.02 . 1 . . . . 65 TRP H . 15964 1 494 . 1 1 50 50 TRP HA H 1 4.812 0.02 . 1 . . . . 65 TRP HA . 15964 1 495 . 1 1 50 50 TRP HB2 H 1 3.576 0.02 . 2 . . . . 65 TRP HB2 . 15964 1 496 . 1 1 50 50 TRP HB3 H 1 3.275 0.02 . 2 . . . . 65 TRP HB3 . 15964 1 497 . 1 1 50 50 TRP HD1 H 1 7.222 0.02 . 1 . . . . 65 TRP HD1 . 15964 1 498 . 1 1 50 50 TRP HE1 H 1 10.411 0.02 . 1 . . . . 65 TRP HE1 . 15964 1 499 . 1 1 50 50 TRP HE3 H 1 7.509 0.02 . 1 . . . . 65 TRP HE3 . 15964 1 500 . 1 1 50 50 TRP HH2 H 1 7.19 0.02 . 1 . . . . 65 TRP HH2 . 15964 1 501 . 1 1 50 50 TRP HZ2 H 1 7.49 0.02 . 1 . . . . 65 TRP HZ2 . 15964 1 502 . 1 1 50 50 TRP HZ3 H 1 7.156 0.02 . 1 . . . . 65 TRP HZ3 . 15964 1 503 . 1 1 50 50 TRP CA C 13 54.535 0.5 . 1 . . . . 65 TRP CA . 15964 1 504 . 1 1 50 50 TRP CB C 13 28.591 0.5 . 1 . . . . 65 TRP CB . 15964 1 505 . 1 1 50 50 TRP CD1 C 13 128.158 0.5 . 1 . . . . 65 TRP CD1 . 15964 1 506 . 1 1 50 50 TRP CE3 C 13 120.862 0.5 . 1 . . . . 65 TRP CE3 . 15964 1 507 . 1 1 50 50 TRP N N 15 117.042 0.5 . 1 . . . . 65 TRP N . 15964 1 508 . 1 1 50 50 TRP NE1 N 15 131.333 0.5 . 1 . . . . 65 TRP NE1 . 15964 1 509 . 1 1 52 52 GLY HA2 H 1 4.2 0.02 . 2 . . . . 67 GLY HA2 . 15964 1 510 . 1 1 52 52 GLY HA3 H 1 3.881 0.02 . 2 . . . . 67 GLY HA3 . 15964 1 511 . 1 1 52 52 GLY CA C 13 48.127 0.5 . 1 . . . . 67 GLY CA . 15964 1 512 . 1 1 53 53 ALA HA H 1 4.379 0.02 . 1 . . . . 68 ALA HA . 15964 1 513 . 1 1 53 53 ALA HB1 H 1 1.759 0.02 . 1 . . . . 68 ALA HB . 15964 1 514 . 1 1 53 53 ALA HB2 H 1 1.759 0.02 . 1 . . . . 68 ALA HB . 15964 1 515 . 1 1 53 53 ALA HB3 H 1 1.759 0.02 . 1 . . . . 68 ALA HB . 15964 1 516 . 1 1 53 53 ALA C C 13 179.922 0.5 . 1 . . . . 68 ALA C . 15964 1 517 . 1 1 53 53 ALA CA C 13 54.775 0.5 . 1 . . . . 68 ALA CA . 15964 1 518 . 1 1 53 53 ALA CB C 13 18.316 0.5 . 1 . . . . 68 ALA CB . 15964 1 519 . 1 1 54 54 CYS H H 1 8.729 0.02 . 1 . . . . 69 CYS H . 15964 1 520 . 1 1 54 54 CYS HA H 1 4.265 0.02 . 1 . . . . 69 CYS HA . 15964 1 521 . 1 1 54 54 CYS HB2 H 1 2.804 0.02 . 1 . . . . 69 CYS HB2 . 15964 1 522 . 1 1 54 54 CYS HB3 H 1 2.804 0.02 . 1 . . . . 69 CYS HB3 . 15964 1 523 . 1 1 54 54 CYS C C 13 174.1 0.5 . 1 . . . . 69 CYS C . 15964 1 524 . 1 1 54 54 CYS CA C 13 63.583 0.5 . 1 . . . . 69 CYS CA . 15964 1 525 . 1 1 54 54 CYS CB C 13 33.572 0.5 . 1 . . . . 69 CYS CB . 15964 1 526 . 1 1 54 54 CYS N N 15 115.52 0.5 . 1 . . . . 69 CYS N . 15964 1 527 . 1 1 55 55 LYS H H 1 7.833 0.02 . 1 . . . . 70 LYS H . 15964 1 528 . 1 1 55 55 LYS HA H 1 3.705 0.02 . 1 . . . . 70 LYS HA . 15964 1 529 . 1 1 55 55 LYS HB2 H 1 1.97 0.02 . 1 . . . . 70 LYS HB2 . 15964 1 530 . 1 1 55 55 LYS HB3 H 1 1.97 0.02 . 1 . . . . 70 LYS HB3 . 15964 1 531 . 1 1 55 55 LYS HD2 H 1 1.71 0.02 . 1 . . . . 70 LYS HD2 . 15964 1 532 . 1 1 55 55 LYS HD3 H 1 1.71 0.02 . 1 . . . . 70 LYS HD3 . 15964 1 533 . 1 1 55 55 LYS HE2 H 1 2.98 0.02 . 1 . . . . 70 LYS HE2 . 15964 1 534 . 1 1 55 55 LYS HE3 H 1 2.98 0.02 . 1 . . . . 70 LYS HE3 . 15964 1 535 . 1 1 55 55 LYS HG2 H 1 1.659 0.02 . 1 . . . . 70 LYS HG2 . 15964 1 536 . 1 1 55 55 LYS HG3 H 1 1.659 0.02 . 1 . . . . 70 LYS HG3 . 15964 1 537 . 1 1 55 55 LYS C C 13 178.525 0.5 . 1 . . . . 70 LYS C . 15964 1 538 . 1 1 55 55 LYS CA C 13 59.62 0.5 . 1 . . . . 70 LYS CA . 15964 1 539 . 1 1 55 55 LYS CB C 13 32.383 0.5 . 1 . . . . 70 LYS CB . 15964 1 540 . 1 1 55 55 LYS CD C 13 29.543 0.5 . 1 . . . . 70 LYS CD . 15964 1 541 . 1 1 55 55 LYS CE C 13 42.289 0.5 . 1 . . . . 70 LYS CE . 15964 1 542 . 1 1 55 55 LYS CG C 13 25.449 0.5 . 1 . . . . 70 LYS CG . 15964 1 543 . 1 1 55 55 LYS N N 15 119.716 0.5 . 1 . . . . 70 LYS N . 15964 1 544 . 1 1 56 56 ALA H H 1 7.648 0.02 . 1 . . . . 71 ALA H . 15964 1 545 . 1 1 56 56 ALA HA H 1 4.18 0.02 . 1 . . . . 71 ALA HA . 15964 1 546 . 1 1 56 56 ALA HB1 H 1 1.486 0.02 . 1 . . . . 71 ALA HB . 15964 1 547 . 1 1 56 56 ALA HB2 H 1 1.486 0.02 . 1 . . . . 71 ALA HB . 15964 1 548 . 1 1 56 56 ALA HB3 H 1 1.486 0.02 . 1 . . . . 71 ALA HB . 15964 1 549 . 1 1 56 56 ALA C C 13 179.031 0.5 . 1 . . . . 71 ALA C . 15964 1 550 . 1 1 56 56 ALA CA C 13 54.17 0.5 . 1 . . . . 71 ALA CA . 15964 1 551 . 1 1 56 56 ALA CB C 13 18.5 0.5 . 1 . . . . 71 ALA CB . 15964 1 552 . 1 1 56 56 ALA N N 15 118.63 0.5 . 1 . . . . 71 ALA N . 15964 1 553 . 1 1 57 57 LEU H H 1 7.193 0.02 . 1 . . . . 72 LEU H . 15964 1 554 . 1 1 57 57 LEU HA H 1 4.161 0.02 . 5 . . . . 72 LEU HA . 15964 1 555 . 1 1 57 57 LEU HB2 H 1 1.812 0.02 . 5 . . . . 72 LEU HB2 . 15964 1 556 . 1 1 57 57 LEU HB3 H 1 1.535 0.02 . 5 . . . . 72 LEU HB3 . 15964 1 557 . 1 1 57 57 LEU HD11 H 1 0.986 0.02 . 5 . . . . 72 LEU HD1 . 15964 1 558 . 1 1 57 57 LEU HD12 H 1 0.986 0.02 . 5 . . . . 72 LEU HD1 . 15964 1 559 . 1 1 57 57 LEU HD13 H 1 0.986 0.02 . 5 . . . . 72 LEU HD1 . 15964 1 560 . 1 1 57 57 LEU HD21 H 1 0.868 0.02 . 5 . . . . 72 LEU HD2 . 15964 1 561 . 1 1 57 57 LEU HD22 H 1 0.868 0.02 . 5 . . . . 72 LEU HD2 . 15964 1 562 . 1 1 57 57 LEU HD23 H 1 0.868 0.02 . 5 . . . . 72 LEU HD2 . 15964 1 563 . 1 1 57 57 LEU HG H 1 1.716 0.02 . 5 . . . . 72 LEU HG . 15964 1 564 . 1 1 57 57 LEU C C 13 177.743 0.5 . 1 . . . . 72 LEU C . 15964 1 565 . 1 1 57 57 LEU CA C 13 56.23 0.5 . 5 . . . . 72 LEU CA . 15964 1 566 . 1 1 57 57 LEU CB C 13 42.91 0.5 . 5 . . . . 72 LEU CB . 15964 1 567 . 1 1 57 57 LEU CD1 C 13 25.374 0.5 . 5 . . . . 72 LEU CD1 . 15964 1 568 . 1 1 57 57 LEU CD2 C 13 22.8 0.5 . 5 . . . . 72 LEU CD2 . 15964 1 569 . 1 1 57 57 LEU CG C 13 27.421 0.5 . 5 . . . . 72 LEU CG . 15964 1 570 . 1 1 57 57 LEU N N 15 116.987 0.5 . 1 . . . . 72 LEU N . 15964 1 571 . 1 1 58 58 LYS H H 1 7.014 0.02 . 1 . . . . 73 LYS H . 15964 1 572 . 1 1 58 58 LYS HA H 1 3.334 0.02 . 1 . . . . 73 LYS HA . 15964 1 573 . 1 1 58 58 LYS HB2 H 1 1.435 0.02 . 1 . . . . 73 LYS HB2 . 15964 1 574 . 1 1 58 58 LYS HB3 H 1 1.435 0.02 . 1 . . . . 73 LYS HB3 . 15964 1 575 . 1 1 58 58 LYS HD2 H 1 1.183 0.02 . 1 . . . . 73 LYS HD2 . 15964 1 576 . 1 1 58 58 LYS HD3 H 1 1.183 0.02 . 1 . . . . 73 LYS HD3 . 15964 1 577 . 1 1 58 58 LYS HG2 H 1 1.164 0.02 . 1 . . . . 73 LYS HG2 . 15964 1 578 . 1 1 58 58 LYS HG3 H 1 1.164 0.02 . 1 . . . . 73 LYS HG3 . 15964 1 579 . 1 1 58 58 LYS CA C 13 62.395 0.5 . 1 . . . . 73 LYS CA . 15964 1 580 . 1 1 58 58 LYS CB C 13 30.179 0.5 . 1 . . . . 73 LYS CB . 15964 1 581 . 1 1 58 58 LYS CD C 13 30.859 0.5 . 1 . . . . 73 LYS CD . 15964 1 582 . 1 1 58 58 LYS CG C 13 26.9 0.5 . 1 . . . . 73 LYS CG . 15964 1 583 . 1 1 58 58 LYS N N 15 115.853 0.5 . 1 . . . . 73 LYS N . 15964 1 584 . 1 1 59 59 PRO HA H 1 4.342 0.02 . 1 . . . . 74 PRO HA . 15964 1 585 . 1 1 59 59 PRO HB2 H 1 2.195 0.02 . 2 . . . . 74 PRO HB2 . 15964 1 586 . 1 1 59 59 PRO HB3 H 1 1.86 0.02 . 2 . . . . 74 PRO HB3 . 15964 1 587 . 1 1 59 59 PRO HD2 H 1 3.42 0.02 . 1 . . . . 74 PRO HD2 . 15964 1 588 . 1 1 59 59 PRO HD3 H 1 3.42 0.02 . 1 . . . . 74 PRO HD3 . 15964 1 589 . 1 1 59 59 PRO HG2 H 1 1.984 0.02 . 1 . . . . 74 PRO HG2 . 15964 1 590 . 1 1 59 59 PRO HG3 H 1 1.984 0.02 . 1 . . . . 74 PRO HG3 . 15964 1 591 . 1 1 59 59 PRO C C 13 179.363 0.5 . 1 . . . . 74 PRO C . 15964 1 592 . 1 1 59 59 PRO CA C 13 65.672 0.5 . 1 . . . . 74 PRO CA . 15964 1 593 . 1 1 59 59 PRO CB C 13 30.785 0.5 . 1 . . . . 74 PRO CB . 15964 1 594 . 1 1 59 59 PRO CD C 13 49.869 0.5 . 1 . . . . 74 PRO CD . 15964 1 595 . 1 1 59 59 PRO CG C 13 28.14 0.5 . 1 . . . . 74 PRO CG . 15964 1 596 . 1 1 60 60 LYS H H 1 6.634 0.02 . 1 . . . . 75 LYS H . 15964 1 597 . 1 1 60 60 LYS HA H 1 4.113 0.02 . 1 . . . . 75 LYS HA . 15964 1 598 . 1 1 60 60 LYS HB2 H 1 2.046 0.02 . 1 . . . . 75 LYS HB2 . 15964 1 599 . 1 1 60 60 LYS HB3 H 1 2.046 0.02 . 1 . . . . 75 LYS HB3 . 15964 1 600 . 1 1 60 60 LYS HD2 H 1 1.768 0.02 . 1 . . . . 75 LYS HD2 . 15964 1 601 . 1 1 60 60 LYS HD3 H 1 1.768 0.02 . 1 . . . . 75 LYS HD3 . 15964 1 602 . 1 1 60 60 LYS HE2 H 1 3.072 0.02 . 1 . . . . 75 LYS HE2 . 15964 1 603 . 1 1 60 60 LYS HE3 H 1 3.072 0.02 . 1 . . . . 75 LYS HE3 . 15964 1 604 . 1 1 60 60 LYS HG2 H 1 1.56 0.02 . 1 . . . . 75 LYS HG2 . 15964 1 605 . 1 1 60 60 LYS HG3 H 1 1.56 0.02 . 1 . . . . 75 LYS HG3 . 15964 1 606 . 1 1 60 60 LYS C C 13 178.776 0.5 . 1 . . . . 75 LYS C . 15964 1 607 . 1 1 60 60 LYS CA C 13 58.244 0.5 . 1 . . . . 75 LYS CA . 15964 1 608 . 1 1 60 60 LYS CB C 13 32.67 0.5 . 1 . . . . 75 LYS CB . 15964 1 609 . 1 1 60 60 LYS CD C 13 29.727 0.5 . 1 . . . . 75 LYS CD . 15964 1 610 . 1 1 60 60 LYS CE C 13 42.367 0.5 . 1 . . . . 75 LYS CE . 15964 1 611 . 1 1 60 60 LYS CG C 13 25.472 0.5 . 1 . . . . 75 LYS CG . 15964 1 612 . 1 1 60 60 LYS N N 15 115.766 0.5 . 1 . . . . 75 LYS N . 15964 1 613 . 1 1 61 61 PHE H H 1 8.281 0.02 . 1 . . . . 76 PHE H . 15964 1 614 . 1 1 61 61 PHE HA H 1 4.002 0.02 . 1 . . . . 76 PHE HA . 15964 1 615 . 1 1 61 61 PHE HB2 H 1 2.919 0.02 . 2 . . . . 76 PHE HB2 . 15964 1 616 . 1 1 61 61 PHE HB3 H 1 2.848 0.02 . 2 . . . . 76 PHE HB3 . 15964 1 617 . 1 1 61 61 PHE HD1 H 1 7.479 0.02 . 1 . . . . 76 PHE HD1 . 15964 1 618 . 1 1 61 61 PHE HD2 H 1 7.479 0.02 . 1 . . . . 76 PHE HD2 . 15964 1 619 . 1 1 61 61 PHE HE1 H 1 7.177 0.02 . 1 . . . . 76 PHE HE1 . 15964 1 620 . 1 1 61 61 PHE HE2 H 1 7.177 0.02 . 1 . . . . 76 PHE HE2 . 15964 1 621 . 1 1 61 61 PHE HZ H 1 6.973 0.02 . 1 . . . . 76 PHE HZ . 15964 1 622 . 1 1 61 61 PHE C C 13 177.673 0.5 . 1 . . . . 76 PHE C . 15964 1 623 . 1 1 61 61 PHE CA C 13 60.347 0.5 . 1 . . . . 76 PHE CA . 15964 1 624 . 1 1 61 61 PHE CB C 13 41.717 0.5 . 1 . . . . 76 PHE CB . 15964 1 625 . 1 1 61 61 PHE CD1 C 13 132.54 0.5 . 1 . . . . 76 PHE CD1 . 15964 1 626 . 1 1 61 61 PHE CD2 C 13 132.54 0.5 . 1 . . . . 76 PHE CD2 . 15964 1 627 . 1 1 61 61 PHE N N 15 120.61 0.5 . 1 . . . . 76 PHE N . 15964 1 628 . 1 1 62 62 ALA H H 1 8.989 0.02 . 1 . . . . 77 ALA H . 15964 1 629 . 1 1 62 62 ALA HA H 1 4.341 0.02 . 1 . . . . 77 ALA HA . 15964 1 630 . 1 1 62 62 ALA HB1 H 1 1.465 0.02 . 1 . . . . 77 ALA HB . 15964 1 631 . 1 1 62 62 ALA HB2 H 1 1.465 0.02 . 1 . . . . 77 ALA HB . 15964 1 632 . 1 1 62 62 ALA HB3 H 1 1.465 0.02 . 1 . . . . 77 ALA HB . 15964 1 633 . 1 1 62 62 ALA C C 13 179.055 0.5 . 1 . . . . 77 ALA C . 15964 1 634 . 1 1 62 62 ALA CA C 13 55.04 0.5 . 1 . . . . 77 ALA CA . 15964 1 635 . 1 1 62 62 ALA CB C 13 19.019 0.5 . 1 . . . . 77 ALA CB . 15964 1 636 . 1 1 62 62 ALA N N 15 119.934 0.5 . 1 . . . . 77 ALA N . 15964 1 637 . 1 1 63 63 GLU H H 1 7.514 0.02 . 1 . . . . 78 GLU H . 15964 1 638 . 1 1 63 63 GLU HA H 1 4.338 0.02 . 1 . . . . 78 GLU HA . 15964 1 639 . 1 1 63 63 GLU HB2 H 1 2.073 0.02 . 2 . . . . 78 GLU HB2 . 15964 1 640 . 1 1 63 63 GLU HB3 H 1 1.93 0.02 . 2 . . . . 78 GLU HB3 . 15964 1 641 . 1 1 63 63 GLU HG2 H 1 2.266 0.02 . 1 . . . . 78 GLU HG2 . 15964 1 642 . 1 1 63 63 GLU HG3 H 1 2.266 0.02 . 1 . . . . 78 GLU HG3 . 15964 1 643 . 1 1 63 63 GLU C C 13 176.693 0.5 . 1 . . . . 78 GLU C . 15964 1 644 . 1 1 63 63 GLU CA C 13 54.781 0.5 . 1 . . . . 78 GLU CA . 15964 1 645 . 1 1 63 63 GLU CB C 13 30.567 0.5 . 1 . . . . 78 GLU CB . 15964 1 646 . 1 1 63 63 GLU CG C 13 36.145 0.5 . 1 . . . . 78 GLU CG . 15964 1 647 . 1 1 63 63 GLU N N 15 111.686 0.5 . 1 . . . . 78 GLU N . 15964 1 648 . 1 1 64 64 SER H H 1 6.829 0.02 . 1 . . . . 79 SER H . 15964 1 649 . 1 1 64 64 SER HA H 1 4.59 0.02 . 1 . . . . 79 SER HA . 15964 1 650 . 1 1 64 64 SER HB2 H 1 3.914 0.02 . 1 . . . . 79 SER HB2 . 15964 1 651 . 1 1 64 64 SER HB3 H 1 3.914 0.02 . 1 . . . . 79 SER HB3 . 15964 1 652 . 1 1 64 64 SER C C 13 176.995 0.5 . 1 . . . . 79 SER C . 15964 1 653 . 1 1 64 64 SER CA C 13 57.257 0.5 . 1 . . . . 79 SER CA . 15964 1 654 . 1 1 64 64 SER CB C 13 63.919 0.5 . 1 . . . . 79 SER CB . 15964 1 655 . 1 1 64 64 SER N N 15 111.95 0.5 . 1 . . . . 79 SER N . 15964 1 656 . 1 1 65 65 THR H H 1 9.145 0.02 . 1 . . . . 80 THR H . 15964 1 657 . 1 1 65 65 THR HA H 1 4.083 0.02 . 1 . . . . 80 THR HA . 15964 1 658 . 1 1 65 65 THR HB H 1 4.198 0.02 . 1 . . . . 80 THR HB . 15964 1 659 . 1 1 65 65 THR HG21 H 1 1.271 0.02 . 1 . . . . 80 THR HG2 . 15964 1 660 . 1 1 65 65 THR HG22 H 1 1.271 0.02 . 1 . . . . 80 THR HG2 . 15964 1 661 . 1 1 65 65 THR HG23 H 1 1.271 0.02 . 1 . . . . 80 THR HG2 . 15964 1 662 . 1 1 65 65 THR C C 13 175.009 0.5 . 1 . . . . 80 THR C . 15964 1 663 . 1 1 65 65 THR CA C 13 65.32 0.5 . 1 . . . . 80 THR CA . 15964 1 664 . 1 1 65 65 THR CB C 13 68.102 0.5 . 1 . . . . 80 THR CB . 15964 1 665 . 1 1 65 65 THR CG2 C 13 21.904 0.5 . 1 . . . . 80 THR CG2 . 15964 1 666 . 1 1 65 65 THR N N 15 129.733 0.5 . 1 . . . . 80 THR N . 15964 1 667 . 1 1 66 66 GLU H H 1 8.329 0.02 . 1 . . . . 81 GLU H . 15964 1 668 . 1 1 66 66 GLU HA H 1 4.079 0.02 . 1 . . . . 81 GLU HA . 15964 1 669 . 1 1 66 66 GLU HB2 H 1 1.794 0.02 . 1 . . . . 81 GLU HB2 . 15964 1 670 . 1 1 66 66 GLU HB3 H 1 1.794 0.02 . 1 . . . . 81 GLU HB3 . 15964 1 671 . 1 1 66 66 GLU HG2 H 1 2.294 0.02 . 1 . . . . 81 GLU HG2 . 15964 1 672 . 1 1 66 66 GLU HG3 H 1 2.294 0.02 . 1 . . . . 81 GLU HG3 . 15964 1 673 . 1 1 66 66 GLU C C 13 178.872 0.5 . 1 . . . . 81 GLU C . 15964 1 674 . 1 1 66 66 GLU CA C 13 60.357 0.5 . 1 . . . . 81 GLU CA . 15964 1 675 . 1 1 66 66 GLU CB C 13 30.157 0.5 . 1 . . . . 81 GLU CB . 15964 1 676 . 1 1 66 66 GLU CG C 13 37.263 0.5 . 1 . . . . 81 GLU CG . 15964 1 677 . 1 1 66 66 GLU N N 15 123.697 0.5 . 1 . . . . 81 GLU N . 15964 1 678 . 1 1 67 67 ILE H H 1 7.899 0.02 . 1 . . . . 82 ILE H . 15964 1 679 . 1 1 67 67 ILE HA H 1 3.292 0.02 . 1 . . . . 82 ILE HA . 15964 1 680 . 1 1 67 67 ILE HB H 1 1.469 0.02 . 1 . . . . 82 ILE HB . 15964 1 681 . 1 1 67 67 ILE HD11 H 1 0.518 0.02 . 1 . . . . 82 ILE HD1 . 15964 1 682 . 1 1 67 67 ILE HD12 H 1 0.518 0.02 . 1 . . . . 82 ILE HD1 . 15964 1 683 . 1 1 67 67 ILE HD13 H 1 0.518 0.02 . 1 . . . . 82 ILE HD1 . 15964 1 684 . 1 1 67 67 ILE HG12 H 1 1.618 0.02 . 1 . . . . 82 ILE HG12 . 15964 1 685 . 1 1 67 67 ILE HG13 H 1 1.618 0.02 . 1 . . . . 82 ILE HG13 . 15964 1 686 . 1 1 67 67 ILE HG21 H 1 -0.009 0.02 . 1 . . . . 82 ILE HG2 . 15964 1 687 . 1 1 67 67 ILE HG22 H 1 -0.009 0.02 . 1 . . . . 82 ILE HG2 . 15964 1 688 . 1 1 67 67 ILE HG23 H 1 -0.009 0.02 . 1 . . . . 82 ILE HG2 . 15964 1 689 . 1 1 67 67 ILE C C 13 177.595 0.5 . 1 . . . . 82 ILE C . 15964 1 690 . 1 1 67 67 ILE CA C 13 66.058 0.5 . 1 . . . . 82 ILE CA . 15964 1 691 . 1 1 67 67 ILE CB C 13 37.674 0.5 . 1 . . . . 82 ILE CB . 15964 1 692 . 1 1 67 67 ILE CD1 C 13 13.363 0.5 . 1 . . . . 82 ILE CD1 . 15964 1 693 . 1 1 67 67 ILE CG1 C 13 30.445 0.5 . 1 . . . . 82 ILE CG1 . 15964 1 694 . 1 1 67 67 ILE CG2 C 13 15.947 0.5 . 1 . . . . 82 ILE CG2 . 15964 1 695 . 1 1 67 67 ILE N N 15 119.558 0.5 . 1 . . . . 82 ILE N . 15964 1 696 . 1 1 68 68 SER H H 1 7.2 0.02 . 1 . . . . 83 SER H . 15964 1 697 . 1 1 68 68 SER HA H 1 3.784 0.02 . 1 . . . . 83 SER HA . 15964 1 698 . 1 1 68 68 SER HB2 H 1 4.21 0.02 . 2 . . . . 83 SER HB2 . 15964 1 699 . 1 1 68 68 SER HB3 H 1 4.02 0.02 . 2 . . . . 83 SER HB3 . 15964 1 700 . 1 1 68 68 SER CA C 13 61.45 0.5 . 1 . . . . 83 SER CA . 15964 1 701 . 1 1 68 68 SER CB C 13 62.425 0.5 . 1 . . . . 83 SER CB . 15964 1 702 . 1 1 68 68 SER N N 15 112.604 0.5 . 1 . . . . 83 SER N . 15964 1 703 . 1 1 69 69 GLU C C 13 178.281 0.5 . 1 . . . . 84 GLU C . 15964 1 704 . 1 1 70 70 LEU H H 1 8.194 0.02 . 1 . . . . 85 LEU H . 15964 1 705 . 1 1 70 70 LEU HA H 1 4.168 0.02 . 1 . . . . 85 LEU HA . 15964 1 706 . 1 1 70 70 LEU HB2 H 1 1.948 0.02 . 2 . . . . 85 LEU HB2 . 15964 1 707 . 1 1 70 70 LEU HB3 H 1 1.494 0.02 . 2 . . . . 85 LEU HB3 . 15964 1 708 . 1 1 70 70 LEU HD11 H 1 0.963 0.02 . 2 . . . . 85 LEU HD1 . 15964 1 709 . 1 1 70 70 LEU HD12 H 1 0.963 0.02 . 2 . . . . 85 LEU HD1 . 15964 1 710 . 1 1 70 70 LEU HD13 H 1 0.963 0.02 . 2 . . . . 85 LEU HD1 . 15964 1 711 . 1 1 70 70 LEU HD21 H 1 0.955 0.02 . 2 . . . . 85 LEU HD2 . 15964 1 712 . 1 1 70 70 LEU HD22 H 1 0.955 0.02 . 2 . . . . 85 LEU HD2 . 15964 1 713 . 1 1 70 70 LEU HD23 H 1 0.955 0.02 . 2 . . . . 85 LEU HD2 . 15964 1 714 . 1 1 70 70 LEU HG H 1 1.941 0.02 . 1 . . . . 85 LEU HG . 15964 1 715 . 1 1 70 70 LEU C C 13 180.182 0.5 . 1 . . . . 85 LEU C . 15964 1 716 . 1 1 70 70 LEU CA C 13 57.26 0.5 . 1 . . . . 85 LEU CA . 15964 1 717 . 1 1 70 70 LEU CB C 13 42.871 0.5 . 1 . . . . 85 LEU CB . 15964 1 718 . 1 1 70 70 LEU CD1 C 13 27.533 0.5 . 2 . . . . 85 LEU CD1 . 15964 1 719 . 1 1 70 70 LEU CD2 C 13 27.534 0.5 . 2 . . . . 85 LEU CD2 . 15964 1 720 . 1 1 70 70 LEU CG C 13 27.443 0.5 . 1 . . . . 85 LEU CG . 15964 1 721 . 1 1 70 70 LEU N N 15 120.329 0.5 . 1 . . . . 85 LEU N . 15964 1 722 . 1 1 71 71 SER H H 1 8.553 0.02 . 1 . . . . 86 SER H . 15964 1 723 . 1 1 71 71 SER HA H 1 3.75 0.02 . 1 . . . . 86 SER HA . 15964 1 724 . 1 1 71 71 SER HB2 H 1 4.181 0.02 . 2 . . . . 86 SER HB2 . 15964 1 725 . 1 1 71 71 SER HB3 H 1 4.005 0.02 . 2 . . . . 86 SER HB3 . 15964 1 726 . 1 1 71 71 SER C C 13 175.45 0.5 . 1 . . . . 86 SER C . 15964 1 727 . 1 1 71 71 SER CA C 13 61.689 0.5 . 1 . . . . 86 SER CA . 15964 1 728 . 1 1 71 71 SER CB C 13 62.719 0.5 . 1 . . . . 86 SER CB . 15964 1 729 . 1 1 71 71 SER N N 15 114.987 0.5 . 1 . . . . 86 SER N . 15964 1 730 . 1 1 72 72 HIS H H 1 7.155 0.02 . 1 . . . . 87 HIS H . 15964 1 731 . 1 1 72 72 HIS HA H 1 4.532 0.02 . 1 . . . . 87 HIS HA . 15964 1 732 . 1 1 72 72 HIS HB2 H 1 3.389 0.02 . 2 . . . . 87 HIS HB2 . 15964 1 733 . 1 1 72 72 HIS HB3 H 1 3.108 0.02 . 2 . . . . 87 HIS HB3 . 15964 1 734 . 1 1 72 72 HIS HD2 H 1 7.45 0.02 . 1 . . . . 87 HIS HD2 . 15964 1 735 . 1 1 72 72 HIS HE1 H 1 8.321 0.02 . 1 . . . . 87 HIS HE1 . 15964 1 736 . 1 1 72 72 HIS C C 13 175.103 0.5 . 1 . . . . 87 HIS C . 15964 1 737 . 1 1 72 72 HIS CA C 13 57.615 0.5 . 1 . . . . 87 HIS CA . 15964 1 738 . 1 1 72 72 HIS CB C 13 29.03 0.5 . 1 . . . . 87 HIS CB . 15964 1 739 . 1 1 72 72 HIS CD2 C 13 120.667 0.5 . 1 . . . . 87 HIS CD2 . 15964 1 740 . 1 1 72 72 HIS CE1 C 13 137.341 0.5 . 1 . . . . 87 HIS CE1 . 15964 1 741 . 1 1 72 72 HIS N N 15 119.21 0.5 . 1 . . . . 87 HIS N . 15964 1 742 . 1 1 73 73 ASN H H 1 8.129 0.02 . 1 . . . . 88 ASN H . 15964 1 743 . 1 1 73 73 ASN HA H 1 4.442 0.02 . 1 . . . . 88 ASN HA . 15964 1 744 . 1 1 73 73 ASN HB2 H 1 2.876 0.02 . 2 . . . . 88 ASN HB2 . 15964 1 745 . 1 1 73 73 ASN HB3 H 1 2.565 0.02 . 2 . . . . 88 ASN HB3 . 15964 1 746 . 1 1 73 73 ASN HD21 H 1 7.302 0.02 . 2 . . . . 88 ASN HD21 . 15964 1 747 . 1 1 73 73 ASN HD22 H 1 7.141 0.02 . 2 . . . . 88 ASN HD22 . 15964 1 748 . 1 1 73 73 ASN C C 13 171.708 0.5 . 1 . . . . 88 ASN C . 15964 1 749 . 1 1 73 73 ASN CA C 13 52.851 0.5 . 1 . . . . 88 ASN CA . 15964 1 750 . 1 1 73 73 ASN CB C 13 38.348 0.5 . 1 . . . . 88 ASN CB . 15964 1 751 . 1 1 73 73 ASN N N 15 116.721 0.5 . 1 . . . . 88 ASN N . 15964 1 752 . 1 1 73 73 ASN ND2 N 15 113.715 0.5 . 1 . . . . 88 ASN ND2 . 15964 1 753 . 1 1 74 74 PHE H H 1 7.588 0.02 . 1 . . . . 89 PHE H . 15964 1 754 . 1 1 74 74 PHE HA H 1 4.796 0.02 . 1 . . . . 89 PHE HA . 15964 1 755 . 1 1 74 74 PHE HB2 H 1 2.759 0.02 . 2 . . . . 89 PHE HB2 . 15964 1 756 . 1 1 74 74 PHE HB3 H 1 2.596 0.02 . 2 . . . . 89 PHE HB3 . 15964 1 757 . 1 1 74 74 PHE HD1 H 1 7.117 0.02 . 1 . . . . 89 PHE HD1 . 15964 1 758 . 1 1 74 74 PHE HD2 H 1 7.117 0.02 . 1 . . . . 89 PHE HD2 . 15964 1 759 . 1 1 74 74 PHE HE1 H 1 7.042 0.02 . 1 . . . . 89 PHE HE1 . 15964 1 760 . 1 1 74 74 PHE HE2 H 1 7.042 0.02 . 1 . . . . 89 PHE HE2 . 15964 1 761 . 1 1 74 74 PHE HZ H 1 7.069 0.02 . 1 . . . . 89 PHE HZ . 15964 1 762 . 1 1 74 74 PHE C C 13 175.402 0.5 . 1 . . . . 89 PHE C . 15964 1 763 . 1 1 74 74 PHE CA C 13 56.797 0.5 . 1 . . . . 89 PHE CA . 15964 1 764 . 1 1 74 74 PHE CB C 13 44.944 0.5 . 1 . . . . 89 PHE CB . 15964 1 765 . 1 1 74 74 PHE N N 15 114.748 0.5 . 1 . . . . 89 PHE N . 15964 1 766 . 1 1 75 75 VAL H H 1 8.915 0.02 . 1 . . . . 90 VAL H . 15964 1 767 . 1 1 75 75 VAL HA H 1 3.826 0.02 . 1 . . . . 90 VAL HA . 15964 1 768 . 1 1 75 75 VAL HB H 1 1.87 0.02 . 1 . . . . 90 VAL HB . 15964 1 769 . 1 1 75 75 VAL HG11 H 1 0.819 0.02 . 2 . . . . 90 VAL HG1 . 15964 1 770 . 1 1 75 75 VAL HG12 H 1 0.819 0.02 . 2 . . . . 90 VAL HG1 . 15964 1 771 . 1 1 75 75 VAL HG13 H 1 0.819 0.02 . 2 . . . . 90 VAL HG1 . 15964 1 772 . 1 1 75 75 VAL HG21 H 1 0.751 0.02 . 2 . . . . 90 VAL HG2 . 15964 1 773 . 1 1 75 75 VAL HG22 H 1 0.751 0.02 . 2 . . . . 90 VAL HG2 . 15964 1 774 . 1 1 75 75 VAL HG23 H 1 0.751 0.02 . 2 . . . . 90 VAL HG2 . 15964 1 775 . 1 1 75 75 VAL C C 13 174.812 0.5 . 1 . . . . 90 VAL C . 15964 1 776 . 1 1 75 75 VAL CA C 13 63.476 0.5 . 1 . . . . 90 VAL CA . 15964 1 777 . 1 1 75 75 VAL CB C 13 31.401 0.5 . 1 . . . . 90 VAL CB . 15964 1 778 . 1 1 75 75 VAL CG1 C 13 21.724 0.5 . 2 . . . . 90 VAL CG1 . 15964 1 779 . 1 1 75 75 VAL CG2 C 13 21.016 0.5 . 2 . . . . 90 VAL CG2 . 15964 1 780 . 1 1 75 75 VAL N N 15 120.03 0.5 . 1 . . . . 90 VAL N . 15964 1 781 . 1 1 76 76 MET H H 1 7.491 0.02 . 1 . . . . 91 MET H . 15964 1 782 . 1 1 76 76 MET HA H 1 4.861 0.02 . 1 . . . . 91 MET HA . 15964 1 783 . 1 1 76 76 MET HB2 H 1 2.39 0.02 . 2 . . . . 91 MET HB2 . 15964 1 784 . 1 1 76 76 MET HB3 H 1 1.731 0.02 . 2 . . . . 91 MET HB3 . 15964 1 785 . 1 1 76 76 MET HE1 H 1 2.28 0.02 . 1 . . . . 91 MET HE . 15964 1 786 . 1 1 76 76 MET HE2 H 1 2.28 0.02 . 1 . . . . 91 MET HE . 15964 1 787 . 1 1 76 76 MET HE3 H 1 2.28 0.02 . 1 . . . . 91 MET HE . 15964 1 788 . 1 1 76 76 MET HG2 H 1 2.695 0.02 . 1 . . . . 91 MET HG2 . 15964 1 789 . 1 1 76 76 MET HG3 H 1 2.695 0.02 . 1 . . . . 91 MET HG3 . 15964 1 790 . 1 1 76 76 MET C C 13 175.019 0.5 . 1 . . . . 91 MET C . 15964 1 791 . 1 1 76 76 MET CA C 13 53.201 0.5 . 1 . . . . 91 MET CA . 15964 1 792 . 1 1 76 76 MET CB C 13 30.51 0.5 . 1 . . . . 91 MET CB . 15964 1 793 . 1 1 76 76 MET CG C 13 26.84 0.5 . 1 . . . . 91 MET CG . 15964 1 794 . 1 1 76 76 MET N N 15 129.206 0.5 . 1 . . . . 91 MET N . 15964 1 795 . 1 1 77 77 VAL H H 1 8.991 0.02 . 1 . . . . 92 VAL H . 15964 1 796 . 1 1 77 77 VAL HA H 1 4.993 0.02 . 1 . . . . 92 VAL HA . 15964 1 797 . 1 1 77 77 VAL HB H 1 2.092 0.02 . 1 . . . . 92 VAL HB . 15964 1 798 . 1 1 77 77 VAL HG11 H 1 0.886 0.02 . 2 . . . . 92 VAL HG1 . 15964 1 799 . 1 1 77 77 VAL HG12 H 1 0.886 0.02 . 2 . . . . 92 VAL HG1 . 15964 1 800 . 1 1 77 77 VAL HG13 H 1 0.886 0.02 . 2 . . . . 92 VAL HG1 . 15964 1 801 . 1 1 77 77 VAL HG21 H 1 0.798 0.02 . 2 . . . . 92 VAL HG2 . 15964 1 802 . 1 1 77 77 VAL HG22 H 1 0.798 0.02 . 2 . . . . 92 VAL HG2 . 15964 1 803 . 1 1 77 77 VAL HG23 H 1 0.798 0.02 . 2 . . . . 92 VAL HG2 . 15964 1 804 . 1 1 77 77 VAL C C 13 174.878 0.5 . 1 . . . . 92 VAL C . 15964 1 805 . 1 1 77 77 VAL CA C 13 60.995 0.5 . 1 . . . . 92 VAL CA . 15964 1 806 . 1 1 77 77 VAL CB C 13 36.873 0.5 . 1 . . . . 92 VAL CB . 15964 1 807 . 1 1 77 77 VAL CG1 C 13 20.606 0.5 . 2 . . . . 92 VAL CG1 . 15964 1 808 . 1 1 77 77 VAL CG2 C 13 20.877 0.5 . 2 . . . . 92 VAL CG2 . 15964 1 809 . 1 1 77 77 VAL N N 15 122.986 0.5 . 1 . . . . 92 VAL N . 15964 1 810 . 1 1 78 78 ASN H H 1 10.213 0.02 . 1 . . . . 93 ASN H . 15964 1 811 . 1 1 78 78 ASN HA H 1 5.623 0.02 . 1 . . . . 93 ASN HA . 15964 1 812 . 1 1 78 78 ASN HB2 H 1 1.731 0.02 . 2 . . . . 93 ASN HB2 . 15964 1 813 . 1 1 78 78 ASN HB3 H 1 1.653 0.02 . 2 . . . . 93 ASN HB3 . 15964 1 814 . 1 1 78 78 ASN HD21 H 1 4.275 0.02 . 2 . . . . 93 ASN HD21 . 15964 1 815 . 1 1 78 78 ASN HD22 H 1 6.507 0.02 . 2 . . . . 93 ASN HD22 . 15964 1 816 . 1 1 78 78 ASN C C 13 171.647 0.5 . 1 . . . . 93 ASN C . 15964 1 817 . 1 1 78 78 ASN CA C 13 52.044 0.5 . 1 . . . . 93 ASN CA . 15964 1 818 . 1 1 78 78 ASN CB C 13 41.984 0.5 . 1 . . . . 93 ASN CB . 15964 1 819 . 1 1 78 78 ASN N N 15 126.528 0.5 . 1 . . . . 93 ASN N . 15964 1 820 . 1 1 78 78 ASN ND2 N 15 112.526 0.5 . 1 . . . . 93 ASN ND2 . 15964 1 821 . 1 1 79 79 LEU H H 1 9.035 0.02 . 1 . . . . 94 LEU H . 15964 1 822 . 1 1 79 79 LEU HA H 1 4.774 0.02 . 1 . . . . 94 LEU HA . 15964 1 823 . 1 1 79 79 LEU HB2 H 1 1.541 0.02 . 1 . . . . 94 LEU HB2 . 15964 1 824 . 1 1 79 79 LEU HB3 H 1 1.541 0.02 . 1 . . . . 94 LEU HB3 . 15964 1 825 . 1 1 79 79 LEU HD11 H 1 0.8 0.02 . 2 . . . . 94 LEU HD1 . 15964 1 826 . 1 1 79 79 LEU HD12 H 1 0.8 0.02 . 2 . . . . 94 LEU HD1 . 15964 1 827 . 1 1 79 79 LEU HD13 H 1 0.8 0.02 . 2 . . . . 94 LEU HD1 . 15964 1 828 . 1 1 79 79 LEU HD21 H 1 0.666 0.02 . 2 . . . . 94 LEU HD2 . 15964 1 829 . 1 1 79 79 LEU HD22 H 1 0.666 0.02 . 2 . . . . 94 LEU HD2 . 15964 1 830 . 1 1 79 79 LEU HD23 H 1 0.666 0.02 . 2 . . . . 94 LEU HD2 . 15964 1 831 . 1 1 79 79 LEU HG H 1 1.322 0.02 . 1 . . . . 94 LEU HG . 15964 1 832 . 1 1 79 79 LEU C C 13 172.412 0.5 . 1 . . . . 94 LEU C . 15964 1 833 . 1 1 79 79 LEU CA C 13 52.21 0.5 . 1 . . . . 94 LEU CA . 15964 1 834 . 1 1 79 79 LEU CB C 13 42.79 0.5 . 1 . . . . 94 LEU CB . 15964 1 835 . 1 1 79 79 LEU CD1 C 13 24.18 0.5 . 2 . . . . 94 LEU CD1 . 15964 1 836 . 1 1 79 79 LEU CD2 C 13 26.925 0.5 . 2 . . . . 94 LEU CD2 . 15964 1 837 . 1 1 79 79 LEU CG C 13 26.561 0.5 . 1 . . . . 94 LEU CG . 15964 1 838 . 1 1 79 79 LEU N N 15 123.082 0.5 . 1 . . . . 94 LEU N . 15964 1 839 . 1 1 80 80 GLU H H 1 9.14 0.02 . 1 . . . . 95 GLU H . 15964 1 840 . 1 1 80 80 GLU HA H 1 3.888 0.02 . 1 . . . . 95 GLU HA . 15964 1 841 . 1 1 80 80 GLU HB2 H 1 1.731 0.02 . 2 . . . . 95 GLU HB2 . 15964 1 842 . 1 1 80 80 GLU HB3 H 1 1.13 0.02 . 2 . . . . 95 GLU HB3 . 15964 1 843 . 1 1 80 80 GLU HG2 H 1 1.839 0.02 . 2 . . . . 95 GLU HG2 . 15964 1 844 . 1 1 80 80 GLU HG3 H 1 1.37 0.02 . 2 . . . . 95 GLU HG3 . 15964 1 845 . 1 1 80 80 GLU C C 13 176.268 0.5 . 1 . . . . 95 GLU C . 15964 1 846 . 1 1 80 80 GLU CA C 13 53.324 0.5 . 1 . . . . 95 GLU CA . 15964 1 847 . 1 1 80 80 GLU CB C 13 33.815 0.5 . 1 . . . . 95 GLU CB . 15964 1 848 . 1 1 80 80 GLU CG C 13 37.824 0.5 . 1 . . . . 95 GLU CG . 15964 1 849 . 1 1 80 80 GLU N N 15 125.693 0.5 . 1 . . . . 95 GLU N . 15964 1 850 . 1 1 81 81 ASP H H 1 7.904 0.02 . 1 . . . . 96 ASP H . 15964 1 851 . 1 1 81 81 ASP HA H 1 4.183 0.02 . 1 . . . . 96 ASP HA . 15964 1 852 . 1 1 81 81 ASP HB2 H 1 2.898 0.02 . 1 . . . . 96 ASP HB2 . 15964 1 853 . 1 1 81 81 ASP HB3 H 1 2.898 0.02 . 1 . . . . 96 ASP HB3 . 15964 1 854 . 1 1 81 81 ASP C C 13 177.472 0.5 . 1 . . . . 96 ASP C . 15964 1 855 . 1 1 81 81 ASP CA C 13 57.476 0.5 . 1 . . . . 96 ASP CA . 15964 1 856 . 1 1 81 81 ASP CB C 13 38.704 0.5 . 1 . . . . 96 ASP CB . 15964 1 857 . 1 1 81 81 ASP N N 15 125.876 0.5 . 1 . . . . 96 ASP N . 15964 1 858 . 1 1 82 82 GLU H H 1 8.819 0.02 . 1 . . . . 97 GLU H . 15964 1 859 . 1 1 82 82 GLU HA H 1 4.294 0.02 . 1 . . . . 97 GLU HA . 15964 1 860 . 1 1 82 82 GLU HB2 H 1 2.255 0.02 . 2 . . . . 97 GLU HB2 . 15964 1 861 . 1 1 82 82 GLU HB3 H 1 2.043 0.02 . 2 . . . . 97 GLU HB3 . 15964 1 862 . 1 1 82 82 GLU HG2 H 1 2.289 0.02 . 1 . . . . 97 GLU HG2 . 15964 1 863 . 1 1 82 82 GLU HG3 H 1 2.289 0.02 . 1 . . . . 97 GLU HG3 . 15964 1 864 . 1 1 82 82 GLU C C 13 176.235 0.5 . 1 . . . . 97 GLU C . 15964 1 865 . 1 1 82 82 GLU CA C 13 58.329 0.5 . 1 . . . . 97 GLU CA . 15964 1 866 . 1 1 82 82 GLU CB C 13 28.185 0.5 . 1 . . . . 97 GLU CB . 15964 1 867 . 1 1 82 82 GLU CG C 13 36.468 0.5 . 1 . . . . 97 GLU CG . 15964 1 868 . 1 1 82 82 GLU N N 15 123.678 0.5 . 1 . . . . 97 GLU N . 15964 1 869 . 1 1 83 83 GLU H H 1 8.088 0.02 . 1 . . . . 98 GLU H . 15964 1 870 . 1 1 83 83 GLU HA H 1 4.004 0.02 . 1 . . . . 98 GLU HA . 15964 1 871 . 1 1 83 83 GLU HB2 H 1 2.027 0.02 . 2 . . . . 98 GLU HB2 . 15964 1 872 . 1 1 83 83 GLU HB3 H 1 1.838 0.02 . 2 . . . . 98 GLU HB3 . 15964 1 873 . 1 1 83 83 GLU HG2 H 1 2.22 0.02 . 1 . . . . 98 GLU HG2 . 15964 1 874 . 1 1 83 83 GLU HG3 H 1 2.22 0.02 . 1 . . . . 98 GLU HG3 . 15964 1 875 . 1 1 83 83 GLU C C 13 176.815 0.5 . 1 . . . . 98 GLU C . 15964 1 876 . 1 1 83 83 GLU CA C 13 56.469 0.5 . 1 . . . . 98 GLU CA . 15964 1 877 . 1 1 83 83 GLU CB C 13 30.316 0.5 . 1 . . . . 98 GLU CB . 15964 1 878 . 1 1 83 83 GLU CG C 13 36.371 0.5 . 1 . . . . 98 GLU CG . 15964 1 879 . 1 1 83 83 GLU N N 15 118.043 0.5 . 1 . . . . 98 GLU N . 15964 1 880 . 1 1 84 84 GLU H H 1 7.303 0.02 . 1 . . . . 99 GLU H . 15964 1 881 . 1 1 84 84 GLU HA H 1 3.82 0.02 . 1 . . . . 99 GLU HA . 15964 1 882 . 1 1 84 84 GLU HB2 H 1 2.27 0.02 . 2 . . . . 99 GLU HB2 . 15964 1 883 . 1 1 84 84 GLU HB3 H 1 1.856 0.02 . 2 . . . . 99 GLU HB3 . 15964 1 884 . 1 1 84 84 GLU CA C 13 54.53 0.5 . 1 . . . . 99 GLU CA . 15964 1 885 . 1 1 84 84 GLU CB C 13 29.541 0.5 . 1 . . . . 99 GLU CB . 15964 1 886 . 1 1 84 84 GLU N N 15 119.656 0.5 . 1 . . . . 99 GLU N . 15964 1 887 . 1 1 85 85 PRO HA H 1 4.255 0.02 . 1 . . . . 100 PRO HA . 15964 1 888 . 1 1 85 85 PRO HB2 H 1 2.014 0.02 . 2 . . . . 100 PRO HB2 . 15964 1 889 . 1 1 85 85 PRO HB3 H 1 1.412 0.02 . 2 . . . . 100 PRO HB3 . 15964 1 890 . 1 1 85 85 PRO HD2 H 1 3.786 0.02 . 2 . . . . 100 PRO HD2 . 15964 1 891 . 1 1 85 85 PRO HD3 H 1 2.896 0.02 . 2 . . . . 100 PRO HD3 . 15964 1 892 . 1 1 85 85 PRO HG2 H 1 1.141 0.02 . 2 . . . . 100 PRO HG2 . 15964 1 893 . 1 1 85 85 PRO HG3 H 1 0.768 0.02 . 2 . . . . 100 PRO HG3 . 15964 1 894 . 1 1 85 85 PRO C C 13 176.748 0.5 . 1 . . . . 100 PRO C . 15964 1 895 . 1 1 85 85 PRO CA C 13 62.667 0.5 . 1 . . . . 100 PRO CA . 15964 1 896 . 1 1 85 85 PRO CB C 13 32.639 0.5 . 1 . . . . 100 PRO CB . 15964 1 897 . 1 1 85 85 PRO CD C 13 50.921 0.5 . 1 . . . . 100 PRO CD . 15964 1 898 . 1 1 85 85 PRO CG C 13 26.93 0.5 . 1 . . . . 100 PRO CG . 15964 1 899 . 1 1 86 86 LYS H H 1 8.594 0.02 . 1 . . . . 101 LYS H . 15964 1 900 . 1 1 86 86 LYS HA H 1 4.208 0.02 . 1 . . . . 101 LYS HA . 15964 1 901 . 1 1 86 86 LYS HB2 H 1 1.841 0.02 . 2 . . . . 101 LYS HB2 . 15964 1 902 . 1 1 86 86 LYS HB3 H 1 1.671 0.02 . 2 . . . . 101 LYS HB3 . 15964 1 903 . 1 1 86 86 LYS HD2 H 1 1.621 0.02 . 1 . . . . 101 LYS HD2 . 15964 1 904 . 1 1 86 86 LYS HD3 H 1 1.621 0.02 . 1 . . . . 101 LYS HD3 . 15964 1 905 . 1 1 86 86 LYS HE2 H 1 2.979 0.02 . 1 . . . . 101 LYS HE2 . 15964 1 906 . 1 1 86 86 LYS HE3 H 1 2.979 0.02 . 1 . . . . 101 LYS HE3 . 15964 1 907 . 1 1 86 86 LYS HG2 H 1 1.387 0.02 . 1 . . . . 101 LYS HG2 . 15964 1 908 . 1 1 86 86 LYS HG3 H 1 1.387 0.02 . 1 . . . . 101 LYS HG3 . 15964 1 909 . 1 1 86 86 LYS C C 13 176.335 0.5 . 1 . . . . 101 LYS C . 15964 1 910 . 1 1 86 86 LYS CA C 13 55.526 0.5 . 1 . . . . 101 LYS CA . 15964 1 911 . 1 1 86 86 LYS CB C 13 30.897 0.5 . 1 . . . . 101 LYS CB . 15964 1 912 . 1 1 86 86 LYS CD C 13 28.528 0.5 . 1 . . . . 101 LYS CD . 15964 1 913 . 1 1 86 86 LYS CE C 13 41.898 0.5 . 1 . . . . 101 LYS CE . 15964 1 914 . 1 1 86 86 LYS CG C 13 24.643 0.5 . 1 . . . . 101 LYS CG . 15964 1 915 . 1 1 86 86 LYS N N 15 122.987 0.5 . 1 . . . . 101 LYS N . 15964 1 916 . 1 1 87 87 ASP H H 1 7.407 0.02 . 1 . . . . 102 ASP H . 15964 1 917 . 1 1 87 87 ASP HA H 1 4.494 0.02 . 1 . . . . 102 ASP HA . 15964 1 918 . 1 1 87 87 ASP HB2 H 1 2.751 0.02 . 2 . . . . 102 ASP HB2 . 15964 1 919 . 1 1 87 87 ASP HB3 H 1 2.605 0.02 . 2 . . . . 102 ASP HB3 . 15964 1 920 . 1 1 87 87 ASP C C 13 177.503 0.5 . 1 . . . . 102 ASP C . 15964 1 921 . 1 1 87 87 ASP CA C 13 54.015 0.5 . 1 . . . . 102 ASP CA . 15964 1 922 . 1 1 87 87 ASP CB C 13 41.976 0.5 . 1 . . . . 102 ASP CB . 15964 1 923 . 1 1 87 87 ASP N N 15 119.203 0.5 . 1 . . . . 102 ASP N . 15964 1 924 . 1 1 88 88 GLU H H 1 9.089 0.02 . 1 . . . . 103 GLU H . 15964 1 925 . 1 1 88 88 GLU HA H 1 4.068 0.02 . 1 . . . . 103 GLU HA . 15964 1 926 . 1 1 88 88 GLU HB2 H 1 2.067 0.02 . 2 . . . . 103 GLU HB2 . 15964 1 927 . 1 1 88 88 GLU HB3 H 1 1.936 0.02 . 2 . . . . 103 GLU HB3 . 15964 1 928 . 1 1 88 88 GLU HG2 H 1 2.301 0.02 . 1 . . . . 103 GLU HG2 . 15964 1 929 . 1 1 88 88 GLU HG3 H 1 2.301 0.02 . 1 . . . . 103 GLU HG3 . 15964 1 930 . 1 1 88 88 GLU C C 13 178.232 0.5 . 1 . . . . 103 GLU C . 15964 1 931 . 1 1 88 88 GLU CA C 13 58.872 0.5 . 1 . . . . 103 GLU CA . 15964 1 932 . 1 1 88 88 GLU CB C 13 29.064 0.5 . 1 . . . . 103 GLU CB . 15964 1 933 . 1 1 88 88 GLU CG C 13 36.63 0.5 . 1 . . . . 103 GLU CG . 15964 1 934 . 1 1 88 88 GLU N N 15 126.924 0.5 . 1 . . . . 103 GLU N . 15964 1 935 . 1 1 89 89 ASP H H 1 8.999 0.02 . 1 . . . . 104 ASP H . 15964 1 936 . 1 1 89 89 ASP HA H 1 4.28 0.02 . 1 . . . . 104 ASP HA . 15964 1 937 . 1 1 89 89 ASP HB2 H 1 2.499 0.02 . 2 . . . . 104 ASP HB2 . 15964 1 938 . 1 1 89 89 ASP HB3 H 1 2.298 0.02 . 2 . . . . 104 ASP HB3 . 15964 1 939 . 1 1 89 89 ASP C C 13 176.652 0.5 . 1 . . . . 104 ASP C . 15964 1 940 . 1 1 89 89 ASP CA C 13 55.941 0.5 . 1 . . . . 104 ASP CA . 15964 1 941 . 1 1 89 89 ASP CB C 13 39.498 0.5 . 1 . . . . 104 ASP CB . 15964 1 942 . 1 1 89 89 ASP N N 15 121.284 0.5 . 1 . . . . 104 ASP N . 15964 1 943 . 1 1 90 90 PHE H H 1 7.605 0.02 . 1 . . . . 105 PHE H . 15964 1 944 . 1 1 90 90 PHE HA H 1 4.254 0.02 . 1 . . . . 105 PHE HA . 15964 1 945 . 1 1 90 90 PHE HB2 H 1 3.177 0.02 . 2 . . . . 105 PHE HB2 . 15964 1 946 . 1 1 90 90 PHE HB3 H 1 2.981 0.02 . 2 . . . . 105 PHE HB3 . 15964 1 947 . 1 1 90 90 PHE HD1 H 1 7.04 0.02 . 1 . . . . 105 PHE HD1 . 15964 1 948 . 1 1 90 90 PHE HD2 H 1 7.04 0.02 . 1 . . . . 105 PHE HD2 . 15964 1 949 . 1 1 90 90 PHE HE1 H 1 7.178 0.02 . 1 . . . . 105 PHE HE1 . 15964 1 950 . 1 1 90 90 PHE HE2 H 1 7.178 0.02 . 1 . . . . 105 PHE HE2 . 15964 1 951 . 1 1 90 90 PHE HZ H 1 6.969 0.02 . 1 . . . . 105 PHE HZ . 15964 1 952 . 1 1 90 90 PHE C C 13 175.346 0.5 . 1 . . . . 105 PHE C . 15964 1 953 . 1 1 90 90 PHE CA C 13 58.058 0.5 . 1 . . . . 105 PHE CA . 15964 1 954 . 1 1 90 90 PHE CB C 13 38.624 0.5 . 1 . . . . 105 PHE CB . 15964 1 955 . 1 1 90 90 PHE N N 15 111.919 0.5 . 1 . . . . 105 PHE N . 15964 1 956 . 1 1 91 91 SER H H 1 7.932 0.02 . 1 . . . . 106 SER H . 15964 1 957 . 1 1 91 91 SER HA H 1 4.603 0.02 . 1 . . . . 106 SER HA . 15964 1 958 . 1 1 91 91 SER HB2 H 1 3.711 0.02 . 2 . . . . 106 SER HB2 . 15964 1 959 . 1 1 91 91 SER HB3 H 1 3.458 0.02 . 2 . . . . 106 SER HB3 . 15964 1 960 . 1 1 91 91 SER CA C 13 55.6 0.5 . 1 . . . . 106 SER CA . 15964 1 961 . 1 1 91 91 SER CB C 13 62.777 0.5 . 1 . . . . 106 SER CB . 15964 1 962 . 1 1 91 91 SER N N 15 115.741 0.5 . 1 . . . . 106 SER N . 15964 1 963 . 1 1 92 92 PRO HA H 1 4.49 0.02 . 1 . . . . 107 PRO HA . 15964 1 964 . 1 1 92 92 PRO HB2 H 1 2.456 0.02 . 2 . . . . 107 PRO HB2 . 15964 1 965 . 1 1 92 92 PRO HB3 H 1 2.102 0.02 . 2 . . . . 107 PRO HB3 . 15964 1 966 . 1 1 92 92 PRO HD2 H 1 3.902 0.02 . 1 . . . . 107 PRO HD2 . 15964 1 967 . 1 1 92 92 PRO HD3 H 1 3.902 0.02 . 1 . . . . 107 PRO HD3 . 15964 1 968 . 1 1 92 92 PRO HG2 H 1 2.673 0.02 . 1 . . . . 107 PRO HG2 . 15964 1 969 . 1 1 92 92 PRO HG3 H 1 2.673 0.02 . 1 . . . . 107 PRO HG3 . 15964 1 970 . 1 1 92 92 PRO C C 13 178 0.5 . 1 . . . . 107 PRO C . 15964 1 971 . 1 1 92 92 PRO CA C 13 65.335 0.5 . 1 . . . . 107 PRO CA . 15964 1 972 . 1 1 92 92 PRO CB C 13 31.48 0.5 . 1 . . . . 107 PRO CB . 15964 1 973 . 1 1 93 93 ASP H H 1 9.059 0.02 . 1 . . . . 108 ASP H . 15964 1 974 . 1 1 93 93 ASP HA H 1 4.998 0.02 . 1 . . . . 108 ASP HA . 15964 1 975 . 1 1 93 93 ASP HB2 H 1 3.188 0.02 . 2 . . . . 108 ASP HB2 . 15964 1 976 . 1 1 93 93 ASP HB3 H 1 2.658 0.02 . 2 . . . . 108 ASP HB3 . 15964 1 977 . 1 1 93 93 ASP C C 13 174.998 0.5 . 1 . . . . 108 ASP C . 15964 1 978 . 1 1 93 93 ASP CA C 13 52.654 0.5 . 1 . . . . 108 ASP CA . 15964 1 979 . 1 1 93 93 ASP CB C 13 40.556 0.5 . 1 . . . . 108 ASP CB . 15964 1 980 . 1 1 93 93 ASP N N 15 115.546 0.5 . 1 . . . . 108 ASP N . 15964 1 981 . 1 1 94 94 GLY H H 1 6.931 0.02 . 1 . . . . 109 GLY H . 15964 1 982 . 1 1 94 94 GLY HA2 H 1 5.003 0.02 . 2 . . . . 109 GLY HA2 . 15964 1 983 . 1 1 94 94 GLY HA3 H 1 3.903 0.02 . 2 . . . . 109 GLY HA3 . 15964 1 984 . 1 1 94 94 GLY C C 13 174.376 0.5 . 1 . . . . 109 GLY C . 15964 1 985 . 1 1 94 94 GLY CA C 13 44.138 0.5 . 1 . . . . 109 GLY CA . 15964 1 986 . 1 1 94 94 GLY N N 15 106.774 0.5 . 1 . . . . 109 GLY N . 15964 1 987 . 1 1 95 95 GLY H H 1 8.414 0.02 . 1 . . . . 110 GLY H . 15964 1 988 . 1 1 95 95 GLY HA2 H 1 4.22 0.02 . 2 . . . . 110 GLY HA2 . 15964 1 989 . 1 1 95 95 GLY HA3 H 1 3.535 0.02 . 2 . . . . 110 GLY HA3 . 15964 1 990 . 1 1 95 95 GLY C C 13 174.568 0.5 . 1 . . . . 110 GLY C . 15964 1 991 . 1 1 95 95 GLY CA C 13 45.683 0.5 . 1 . . . . 110 GLY CA . 15964 1 992 . 1 1 95 95 GLY N N 15 107.27 0.5 . 1 . . . . 110 GLY N . 15964 1 993 . 1 1 96 96 TYR H H 1 6.387 0.02 . 1 . . . . 111 TYR H . 15964 1 994 . 1 1 96 96 TYR HA H 1 4.575 0.02 . 1 . . . . 111 TYR HA . 15964 1 995 . 1 1 96 96 TYR HB2 H 1 3.002 0.02 . 1 . . . . 111 TYR HB2 . 15964 1 996 . 1 1 96 96 TYR HB3 H 1 3.002 0.02 . 1 . . . . 111 TYR HB3 . 15964 1 997 . 1 1 96 96 TYR HD1 H 1 6.952 0.02 . 1 . . . . 111 TYR HD1 . 15964 1 998 . 1 1 96 96 TYR HD2 H 1 6.952 0.02 . 1 . . . . 111 TYR HD2 . 15964 1 999 . 1 1 96 96 TYR HE1 H 1 6.967 0.02 . 1 . . . . 111 TYR HE1 . 15964 1 1000 . 1 1 96 96 TYR HE2 H 1 6.967 0.02 . 1 . . . . 111 TYR HE2 . 15964 1 1001 . 1 1 96 96 TYR C C 13 174.175 0.5 . 1 . . . . 111 TYR C . 15964 1 1002 . 1 1 96 96 TYR CA C 13 55.697 0.5 . 1 . . . . 111 TYR CA . 15964 1 1003 . 1 1 96 96 TYR CB C 13 38.408 0.5 . 1 . . . . 111 TYR CB . 15964 1 1004 . 1 1 96 96 TYR N N 15 116.214 0.5 . 1 . . . . 111 TYR N . 15964 1 1005 . 1 1 97 97 ILE H H 1 8.103 0.02 . 1 . . . . 112 ILE H . 15964 1 1006 . 1 1 97 97 ILE HA H 1 4.703 0.02 . 1 . . . . 112 ILE HA . 15964 1 1007 . 1 1 97 97 ILE HB H 1 1.926 0.02 . 1 . . . . 112 ILE HB . 15964 1 1008 . 1 1 97 97 ILE HD11 H 1 0.888 0.02 . 1 . . . . 112 ILE HD1 . 15964 1 1009 . 1 1 97 97 ILE HD12 H 1 0.888 0.02 . 1 . . . . 112 ILE HD1 . 15964 1 1010 . 1 1 97 97 ILE HD13 H 1 0.888 0.02 . 1 . . . . 112 ILE HD1 . 15964 1 1011 . 1 1 97 97 ILE HG12 H 1 1.746 0.02 . 2 . . . . 112 ILE HG12 . 15964 1 1012 . 1 1 97 97 ILE HG13 H 1 1.334 0.02 . 2 . . . . 112 ILE HG13 . 15964 1 1013 . 1 1 97 97 ILE HG21 H 1 0.915 0.02 . 1 . . . . 112 ILE HG2 . 15964 1 1014 . 1 1 97 97 ILE HG22 H 1 0.915 0.02 . 1 . . . . 112 ILE HG2 . 15964 1 1015 . 1 1 97 97 ILE HG23 H 1 0.915 0.02 . 1 . . . . 112 ILE HG2 . 15964 1 1016 . 1 1 97 97 ILE CA C 13 58.446 0.5 . 1 . . . . 112 ILE CA . 15964 1 1017 . 1 1 97 97 ILE CB C 13 40.798 0.5 . 1 . . . . 112 ILE CB . 15964 1 1018 . 1 1 97 97 ILE CD1 C 13 13.777 0.5 . 1 . . . . 112 ILE CD1 . 15964 1 1019 . 1 1 97 97 ILE CG1 C 13 25.083 0.5 . 1 . . . . 112 ILE CG1 . 15964 1 1020 . 1 1 97 97 ILE CG2 C 13 20.763 0.5 . 1 . . . . 112 ILE CG2 . 15964 1 1021 . 1 1 97 97 ILE N N 15 112.601 0.5 . 1 . . . . 112 ILE N . 15964 1 1022 . 1 1 98 98 PRO HA H 1 5.234 0.02 . 1 . . . . 113 PRO HA . 15964 1 1023 . 1 1 98 98 PRO HB2 H 1 2.298 0.02 . 2 . . . . 113 PRO HB2 . 15964 1 1024 . 1 1 98 98 PRO HB3 H 1 1.95 0.02 . 2 . . . . 113 PRO HB3 . 15964 1 1025 . 1 1 98 98 PRO C C 13 175.647 0.5 . 1 . . . . 113 PRO C . 15964 1 1026 . 1 1 98 98 PRO CA C 13 62.551 0.5 . 1 . . . . 113 PRO CA . 15964 1 1027 . 1 1 98 98 PRO CB C 13 34.351 0.5 . 1 . . . . 113 PRO CB . 15964 1 1028 . 1 1 99 99 ARG H H 1 8.539 0.02 . 1 . . . . 114 ARG H . 15964 1 1029 . 1 1 99 99 ARG HA H 1 5.574 0.02 . 1 . . . . 114 ARG HA . 15964 1 1030 . 1 1 99 99 ARG HB2 H 1 1.664 0.02 . 1 . . . . 114 ARG HB2 . 15964 1 1031 . 1 1 99 99 ARG HB3 H 1 1.664 0.02 . 1 . . . . 114 ARG HB3 . 15964 1 1032 . 1 1 99 99 ARG HD2 H 1 3.006 0.02 . 1 . . . . 114 ARG HD2 . 15964 1 1033 . 1 1 99 99 ARG HD3 H 1 3.006 0.02 . 1 . . . . 114 ARG HD3 . 15964 1 1034 . 1 1 99 99 ARG HG2 H 1 1.557 0.02 . 1 . . . . 114 ARG HG2 . 15964 1 1035 . 1 1 99 99 ARG HG3 H 1 1.557 0.02 . 1 . . . . 114 ARG HG3 . 15964 1 1036 . 1 1 99 99 ARG C C 13 174.244 0.5 . 1 . . . . 114 ARG C . 15964 1 1037 . 1 1 99 99 ARG CA C 13 54.777 0.5 . 1 . . . . 114 ARG CA . 15964 1 1038 . 1 1 99 99 ARG CB C 13 34.187 0.5 . 1 . . . . 114 ARG CB . 15964 1 1039 . 1 1 99 99 ARG CD C 13 43.517 0.5 . 1 . . . . 114 ARG CD . 15964 1 1040 . 1 1 99 99 ARG CG C 13 27.764 0.5 . 1 . . . . 114 ARG CG . 15964 1 1041 . 1 1 99 99 ARG N N 15 116.94 0.5 . 1 . . . . 114 ARG N . 15964 1 1042 . 1 1 100 100 ILE H H 1 8.813 0.02 . 1 . . . . 115 ILE H . 15964 1 1043 . 1 1 100 100 ILE HA H 1 5 0.02 . 1 . . . . 115 ILE HA . 15964 1 1044 . 1 1 100 100 ILE HB H 1 1.806 0.02 . 1 . . . . 115 ILE HB . 15964 1 1045 . 1 1 100 100 ILE HD11 H 1 0.347 0.02 . 1 . . . . 115 ILE HD1 . 15964 1 1046 . 1 1 100 100 ILE HD12 H 1 0.347 0.02 . 1 . . . . 115 ILE HD1 . 15964 1 1047 . 1 1 100 100 ILE HD13 H 1 0.347 0.02 . 1 . . . . 115 ILE HD1 . 15964 1 1048 . 1 1 100 100 ILE HG12 H 1 1.584 0.02 . 2 . . . . 115 ILE HG12 . 15964 1 1049 . 1 1 100 100 ILE HG13 H 1 0.716 0.02 . 2 . . . . 115 ILE HG13 . 15964 1 1050 . 1 1 100 100 ILE HG21 H 1 0.027 0.02 . 1 . . . . 115 ILE HG2 . 15964 1 1051 . 1 1 100 100 ILE HG22 H 1 0.027 0.02 . 1 . . . . 115 ILE HG2 . 15964 1 1052 . 1 1 100 100 ILE HG23 H 1 0.027 0.02 . 1 . . . . 115 ILE HG2 . 15964 1 1053 . 1 1 100 100 ILE C C 13 173.882 0.5 . 1 . . . . 115 ILE C . 15964 1 1054 . 1 1 100 100 ILE CA C 13 61.128 0.5 . 1 . . . . 115 ILE CA . 15964 1 1055 . 1 1 100 100 ILE CB C 13 39.026 0.5 . 1 . . . . 115 ILE CB . 15964 1 1056 . 1 1 100 100 ILE CD1 C 13 12.969 0.5 . 1 . . . . 115 ILE CD1 . 15964 1 1057 . 1 1 100 100 ILE CG1 C 13 27.457 0.5 . 1 . . . . 115 ILE CG1 . 15964 1 1058 . 1 1 100 100 ILE CG2 C 13 17.158 0.5 . 1 . . . . 115 ILE CG2 . 15964 1 1059 . 1 1 100 100 ILE N N 15 121.795 0.5 . 1 . . . . 115 ILE N . 15964 1 1060 . 1 1 101 101 LEU H H 1 8.659 0.02 . 1 . . . . 116 LEU H . 15964 1 1061 . 1 1 101 101 LEU HA H 1 4.824 0.02 . 1 . . . . 116 LEU HA . 15964 1 1062 . 1 1 101 101 LEU HB2 H 1 1.242 0.02 . 1 . . . . 116 LEU HB2 . 15964 1 1063 . 1 1 101 101 LEU HB3 H 1 1.242 0.02 . 1 . . . . 116 LEU HB3 . 15964 1 1064 . 1 1 101 101 LEU HD11 H 1 0.633 0.02 . 2 . . . . 116 LEU HD1 . 15964 1 1065 . 1 1 101 101 LEU HD12 H 1 0.633 0.02 . 2 . . . . 116 LEU HD1 . 15964 1 1066 . 1 1 101 101 LEU HD13 H 1 0.633 0.02 . 2 . . . . 116 LEU HD1 . 15964 1 1067 . 1 1 101 101 LEU HD21 H 1 0.357 0.02 . 2 . . . . 116 LEU HD2 . 15964 1 1068 . 1 1 101 101 LEU HD22 H 1 0.357 0.02 . 2 . . . . 116 LEU HD2 . 15964 1 1069 . 1 1 101 101 LEU HD23 H 1 0.357 0.02 . 2 . . . . 116 LEU HD2 . 15964 1 1070 . 1 1 101 101 LEU HG H 1 1.401 0.02 . 1 . . . . 116 LEU HG . 15964 1 1071 . 1 1 101 101 LEU C C 13 174.08 0.5 . 1 . . . . 116 LEU C . 15964 1 1072 . 1 1 101 101 LEU CA C 13 52.274 0.5 . 1 . . . . 116 LEU CA . 15964 1 1073 . 1 1 101 101 LEU CB C 13 46.584 0.5 . 1 . . . . 116 LEU CB . 15964 1 1074 . 1 1 101 101 LEU CD1 C 13 25.984 0.5 . 2 . . . . 116 LEU CD1 . 15964 1 1075 . 1 1 101 101 LEU CD2 C 13 24.542 0.5 . 2 . . . . 116 LEU CD2 . 15964 1 1076 . 1 1 101 101 LEU CG C 13 28.136 0.5 . 1 . . . . 116 LEU CG . 15964 1 1077 . 1 1 101 101 LEU N N 15 127.343 0.5 . 1 . . . . 116 LEU N . 15964 1 1078 . 1 1 102 102 PHE H H 1 8.989 0.02 . 1 . . . . 117 PHE H . 15964 1 1079 . 1 1 102 102 PHE HA H 1 5.381 0.02 . 1 . . . . 117 PHE HA . 15964 1 1080 . 1 1 102 102 PHE HB2 H 1 2.823 0.02 . 1 . . . . 117 PHE HB2 . 15964 1 1081 . 1 1 102 102 PHE HB3 H 1 2.823 0.02 . 1 . . . . 117 PHE HB3 . 15964 1 1082 . 1 1 102 102 PHE HD1 H 1 7.176 0.02 . 1 . . . . 117 PHE HD1 . 15964 1 1083 . 1 1 102 102 PHE HD2 H 1 7.176 0.02 . 1 . . . . 117 PHE HD2 . 15964 1 1084 . 1 1 102 102 PHE HE1 H 1 7.176 0.02 . 1 . . . . 117 PHE HE1 . 15964 1 1085 . 1 1 102 102 PHE HE2 H 1 7.176 0.02 . 1 . . . . 117 PHE HE2 . 15964 1 1086 . 1 1 102 102 PHE HZ H 1 7.176 0.02 . 1 . . . . 117 PHE HZ . 15964 1 1087 . 1 1 102 102 PHE C C 13 174.537 0.5 . 1 . . . . 117 PHE C . 15964 1 1088 . 1 1 102 102 PHE CA C 13 56.949 0.5 . 1 . . . . 117 PHE CA . 15964 1 1089 . 1 1 102 102 PHE CB C 13 41.857 0.5 . 1 . . . . 117 PHE CB . 15964 1 1090 . 1 1 102 102 PHE N N 15 116.821 0.5 . 1 . . . . 117 PHE N . 15964 1 1091 . 1 1 103 103 LEU H H 1 9.273 0.02 . 1 . . . . 118 LEU H . 15964 1 1092 . 1 1 103 103 LEU HA H 1 5.436 0.02 . 1 . . . . 118 LEU HA . 15964 1 1093 . 1 1 103 103 LEU HB2 H 1 1.63 0.02 . 1 . . . . 118 LEU HB2 . 15964 1 1094 . 1 1 103 103 LEU HB3 H 1 1.63 0.02 . 1 . . . . 118 LEU HB3 . 15964 1 1095 . 1 1 103 103 LEU HD11 H 1 0.793 0.02 . 2 . . . . 118 LEU HD1 . 15964 1 1096 . 1 1 103 103 LEU HD12 H 1 0.793 0.02 . 2 . . . . 118 LEU HD1 . 15964 1 1097 . 1 1 103 103 LEU HD13 H 1 0.793 0.02 . 2 . . . . 118 LEU HD1 . 15964 1 1098 . 1 1 103 103 LEU HD21 H 1 0.67 0.02 . 2 . . . . 118 LEU HD2 . 15964 1 1099 . 1 1 103 103 LEU HD22 H 1 0.67 0.02 . 2 . . . . 118 LEU HD2 . 15964 1 1100 . 1 1 103 103 LEU HD23 H 1 0.67 0.02 . 2 . . . . 118 LEU HD2 . 15964 1 1101 . 1 1 103 103 LEU HG H 1 1.45 0.02 . 1 . . . . 118 LEU HG . 15964 1 1102 . 1 1 103 103 LEU C C 13 177.059 0.2 . 1 . . . . 118 LEU C . 15964 1 1103 . 1 1 103 103 LEU CA C 13 53.37 0.2 . 1 . . . . 118 LEU CA . 15964 1 1104 . 1 1 103 103 LEU CB C 13 45.606 0.2 . 1 . . . . 118 LEU CB . 15964 1 1105 . 1 1 103 103 LEU CD1 C 13 26.889 0.2 . 2 . . . . 118 LEU CD1 . 15964 1 1106 . 1 1 103 103 LEU CD2 C 13 24.117 0.2 . 2 . . . . 118 LEU CD2 . 15964 1 1107 . 1 1 103 103 LEU CG C 13 29.833 0.2 . 1 . . . . 118 LEU CG . 15964 1 1108 . 1 1 103 103 LEU N N 15 124.806 0.2 . 1 . . . . 118 LEU N . 15964 1 1109 . 1 1 104 104 ASP H H 1 8.328 0.02 . 1 . . . . 119 ASP H . 15964 1 1110 . 1 1 104 104 ASP HA H 1 4.534 0.02 . 1 . . . . 119 ASP HA . 15964 1 1111 . 1 1 104 104 ASP HB2 H 1 3.284 0.02 . 2 . . . . 119 ASP HB2 . 15964 1 1112 . 1 1 104 104 ASP HB3 H 1 2.365 0.02 . 2 . . . . 119 ASP HB3 . 15964 1 1113 . 1 1 104 104 ASP CA C 13 52.578 0.5 . 1 . . . . 119 ASP CA . 15964 1 1114 . 1 1 104 104 ASP CB C 13 39.4 0.5 . 1 . . . . 119 ASP CB . 15964 1 1115 . 1 1 104 104 ASP N N 15 117.604 0.5 . 1 . . . . 119 ASP N . 15964 1 1116 . 1 1 105 105 PRO HA H 1 4.329 0.02 . 1 . . . . 120 PRO HA . 15964 1 1117 . 1 1 105 105 PRO HB2 H 1 2.366 0.02 . 2 . . . . 120 PRO HB2 . 15964 1 1118 . 1 1 105 105 PRO HB3 H 1 1.699 0.02 . 2 . . . . 120 PRO HB3 . 15964 1 1119 . 1 1 105 105 PRO HD2 H 1 3.722 0.02 . 1 . . . . 120 PRO HD2 . 15964 1 1120 . 1 1 105 105 PRO HD3 H 1 3.722 0.02 . 1 . . . . 120 PRO HD3 . 15964 1 1121 . 1 1 105 105 PRO C C 13 177.278 0.5 . 1 . . . . 120 PRO C . 15964 1 1122 . 1 1 105 105 PRO CA C 13 65.171 0.5 . 1 . . . . 120 PRO CA . 15964 1 1123 . 1 1 105 105 PRO CB C 13 31.48 0.5 . 1 . . . . 120 PRO CB . 15964 1 1124 . 1 1 105 105 PRO CD C 13 48.932 0.5 . 1 . . . . 120 PRO CD . 15964 1 1125 . 1 1 106 106 SER H H 1 8.19 0.02 . 1 . . . . 121 SER H . 15964 1 1126 . 1 1 106 106 SER HA H 1 4.509 0.02 . 1 . . . . 121 SER HA . 15964 1 1127 . 1 1 106 106 SER HB2 H 1 4.109 0.02 . 2 . . . . 121 SER HB2 . 15964 1 1128 . 1 1 106 106 SER HB3 H 1 3.894 0.02 . 2 . . . . 121 SER HB3 . 15964 1 1129 . 1 1 106 106 SER C C 13 174.92 0.5 . 1 . . . . 121 SER C . 15964 1 1130 . 1 1 106 106 SER CA C 13 58.795 0.5 . 1 . . . . 121 SER CA . 15964 1 1131 . 1 1 106 106 SER CB C 13 64.019 0.5 . 1 . . . . 121 SER CB . 15964 1 1132 . 1 1 106 106 SER N N 15 111.602 0.5 . 1 . . . . 121 SER N . 15964 1 1133 . 1 1 107 107 GLY H H 1 8.94 0.02 . 1 . . . . 122 GLY H . 15964 1 1134 . 1 1 107 107 GLY HA2 H 1 4.177 0.02 . 2 . . . . 122 GLY HA2 . 15964 1 1135 . 1 1 107 107 GLY HA3 H 1 3.423 0.02 . 2 . . . . 122 GLY HA3 . 15964 1 1136 . 1 1 107 107 GLY C C 13 172.422 0.5 . 1 . . . . 122 GLY C . 15964 1 1137 . 1 1 107 107 GLY CA C 13 45.232 0.5 . 1 . . . . 122 GLY CA . 15964 1 1138 . 1 1 107 107 GLY N N 15 111.685 0.5 . 1 . . . . 122 GLY N . 15964 1 1139 . 1 1 108 108 LYS H H 1 7.378 0.02 . 1 . . . . 123 LYS H . 15964 1 1140 . 1 1 108 108 LYS HA H 1 4.469 0.02 . 1 . . . . 123 LYS HA . 15964 1 1141 . 1 1 108 108 LYS HB2 H 1 1.827 0.02 . 1 . . . . 123 LYS HB2 . 15964 1 1142 . 1 1 108 108 LYS HB3 H 1 1.827 0.02 . 1 . . . . 123 LYS HB3 . 15964 1 1143 . 1 1 108 108 LYS HD2 H 1 1.676 0.02 . 2 . . . . 123 LYS HD2 . 15964 1 1144 . 1 1 108 108 LYS HD3 H 1 1.59 0.02 . 2 . . . . 123 LYS HD3 . 15964 1 1145 . 1 1 108 108 LYS HE2 H 1 2.907 0.02 . 1 . . . . 123 LYS HE2 . 15964 1 1146 . 1 1 108 108 LYS HE3 H 1 2.907 0.02 . 1 . . . . 123 LYS HE3 . 15964 1 1147 . 1 1 108 108 LYS HG2 H 1 1.396 0.02 . 2 . . . . 123 LYS HG2 . 15964 1 1148 . 1 1 108 108 LYS HG3 H 1 1.278 0.02 . 2 . . . . 123 LYS HG3 . 15964 1 1149 . 1 1 108 108 LYS C C 13 177.047 0.5 . 1 . . . . 123 LYS C . 15964 1 1150 . 1 1 108 108 LYS CA C 13 54.438 0.5 . 1 . . . . 123 LYS CA . 15964 1 1151 . 1 1 108 108 LYS CB C 13 33.003 0.5 . 1 . . . . 123 LYS CB . 15964 1 1152 . 1 1 108 108 LYS CD C 13 28.909 0.5 . 1 . . . . 123 LYS CD . 15964 1 1153 . 1 1 108 108 LYS CE C 13 42.135 0.5 . 1 . . . . 123 LYS CE . 15964 1 1154 . 1 1 108 108 LYS CG C 13 24.504 0.5 . 1 . . . . 123 LYS CG . 15964 1 1155 . 1 1 108 108 LYS N N 15 120.996 0.5 . 1 . . . . 123 LYS N . 15964 1 1156 . 1 1 109 109 VAL H H 1 8.862 0.02 . 1 . . . . 124 VAL H . 15964 1 1157 . 1 1 109 109 VAL HA H 1 3.711 0.02 . 1 . . . . 124 VAL HA . 15964 1 1158 . 1 1 109 109 VAL HB H 1 1.647 0.02 . 1 . . . . 124 VAL HB . 15964 1 1159 . 1 1 109 109 VAL HG11 H 1 0.654 0.02 . 2 . . . . 124 VAL HG1 . 15964 1 1160 . 1 1 109 109 VAL HG12 H 1 0.654 0.02 . 2 . . . . 124 VAL HG1 . 15964 1 1161 . 1 1 109 109 VAL HG13 H 1 0.654 0.02 . 2 . . . . 124 VAL HG1 . 15964 1 1162 . 1 1 109 109 VAL HG21 H 1 0.182 0.02 . 2 . . . . 124 VAL HG2 . 15964 1 1163 . 1 1 109 109 VAL HG22 H 1 0.182 0.02 . 2 . . . . 124 VAL HG2 . 15964 1 1164 . 1 1 109 109 VAL HG23 H 1 0.182 0.02 . 2 . . . . 124 VAL HG2 . 15964 1 1165 . 1 1 109 109 VAL C C 13 176.442 0.5 . 1 . . . . 124 VAL C . 15964 1 1166 . 1 1 109 109 VAL CA C 13 64.102 0.5 . 1 . . . . 124 VAL CA . 15964 1 1167 . 1 1 109 109 VAL CB C 13 32.181 0.5 . 1 . . . . 124 VAL CB . 15964 1 1168 . 1 1 109 109 VAL CG1 C 13 21.308 0.5 . 2 . . . . 124 VAL CG1 . 15964 1 1169 . 1 1 109 109 VAL CG2 C 13 20.622 0.5 . 2 . . . . 124 VAL CG2 . 15964 1 1170 . 1 1 109 109 VAL N N 15 126.956 0.5 . 1 . . . . 124 VAL N . 15964 1 1171 . 1 1 110 110 HIS H H 1 8.876 0.02 . 1 . . . . 125 HIS H . 15964 1 1172 . 1 1 110 110 HIS HA H 1 4.989 0.02 . 1 . . . . 125 HIS HA . 15964 1 1173 . 1 1 110 110 HIS HB2 H 1 3.291 0.02 . 2 . . . . 125 HIS HB2 . 15964 1 1174 . 1 1 110 110 HIS HB3 H 1 3.01 0.02 . 2 . . . . 125 HIS HB3 . 15964 1 1175 . 1 1 110 110 HIS HD2 H 1 7.699 0.02 . 1 . . . . 125 HIS HD2 . 15964 1 1176 . 1 1 110 110 HIS HE1 H 1 8.48 0.02 . 1 . . . . 125 HIS HE1 . 15964 1 1177 . 1 1 110 110 HIS CA C 13 54.215 0.5 . 1 . . . . 125 HIS CA . 15964 1 1178 . 1 1 110 110 HIS CB C 13 32.9 0.5 . 1 . . . . 125 HIS CB . 15964 1 1179 . 1 1 110 110 HIS N N 15 127.184 0.5 . 1 . . . . 125 HIS N . 15964 1 1180 . 1 1 111 111 PRO HA H 1 4.399 0.02 . 1 . . . . 126 PRO HA . 15964 1 1181 . 1 1 111 111 PRO HB2 H 1 2.256 0.02 . 2 . . . . 126 PRO HB2 . 15964 1 1182 . 1 1 111 111 PRO HB3 H 1 1.897 0.02 . 2 . . . . 126 PRO HB3 . 15964 1 1183 . 1 1 111 111 PRO HD2 H 1 3.707 0.02 . 1 . . . . 126 PRO HD2 . 15964 1 1184 . 1 1 111 111 PRO HD3 H 1 3.707 0.02 . 1 . . . . 126 PRO HD3 . 15964 1 1185 . 1 1 111 111 PRO HG2 H 1 1.998 0.02 . 1 . . . . 126 PRO HG2 . 15964 1 1186 . 1 1 111 111 PRO HG3 H 1 1.998 0.02 . 1 . . . . 126 PRO HG3 . 15964 1 1187 . 1 1 111 111 PRO C C 13 176.44 0.5 . 1 . . . . 126 PRO C . 15964 1 1188 . 1 1 111 111 PRO CA C 13 63.274 0.5 . 1 . . . . 126 PRO CA . 15964 1 1189 . 1 1 111 111 PRO CB C 13 32.083 0.5 . 1 . . . . 126 PRO CB . 15964 1 1190 . 1 1 111 111 PRO CD C 13 50.558 0.5 . 1 . . . . 126 PRO CD . 15964 1 1191 . 1 1 111 111 PRO CG C 13 27.326 0.5 . 1 . . . . 126 PRO CG . 15964 1 1192 . 1 1 112 112 GLU H H 1 10.936 0.02 . 1 . . . . 127 GLU H . 15964 1 1193 . 1 1 112 112 GLU HA H 1 4.273 0.02 . 1 . . . . 127 GLU HA . 15964 1 1194 . 1 1 112 112 GLU HB2 H 1 1.946 0.02 . 1 . . . . 127 GLU HB2 . 15964 1 1195 . 1 1 112 112 GLU HB3 H 1 1.946 0.02 . 1 . . . . 127 GLU HB3 . 15964 1 1196 . 1 1 112 112 GLU HG2 H 1 2.101 0.02 . 1 . . . . 127 GLU HG2 . 15964 1 1197 . 1 1 112 112 GLU HG3 H 1 2.101 0.02 . 1 . . . . 127 GLU HG3 . 15964 1 1198 . 1 1 112 112 GLU C C 13 175.801 0.5 . 1 . . . . 127 GLU C . 15964 1 1199 . 1 1 112 112 GLU CA C 13 57.062 0.5 . 1 . . . . 127 GLU CA . 15964 1 1200 . 1 1 112 112 GLU CB C 13 27.327 0.5 . 1 . . . . 127 GLU CB . 15964 1 1201 . 1 1 112 112 GLU CG C 13 34.043 0.5 . 1 . . . . 127 GLU CG . 15964 1 1202 . 1 1 112 112 GLU N N 15 123.144 0.5 . 1 . . . . 127 GLU N . 15964 1 1203 . 1 1 113 113 ILE H H 1 7.461 0.02 . 1 . . . . 128 ILE H . 15964 1 1204 . 1 1 113 113 ILE HA H 1 4.514 0.02 . 1 . . . . 128 ILE HA . 15964 1 1205 . 1 1 113 113 ILE HB H 1 2.456 0.02 . 1 . . . . 128 ILE HB . 15964 1 1206 . 1 1 113 113 ILE HD11 H 1 0.785 0.02 . 1 . . . . 128 ILE HD1 . 15964 1 1207 . 1 1 113 113 ILE HD12 H 1 0.785 0.02 . 1 . . . . 128 ILE HD1 . 15964 1 1208 . 1 1 113 113 ILE HD13 H 1 0.785 0.02 . 1 . . . . 128 ILE HD1 . 15964 1 1209 . 1 1 113 113 ILE HG12 H 1 1.521 0.02 . 2 . . . . 128 ILE HG12 . 15964 1 1210 . 1 1 113 113 ILE HG13 H 1 1.165 0.02 . 2 . . . . 128 ILE HG13 . 15964 1 1211 . 1 1 113 113 ILE HG21 H 1 0.835 0.02 . 1 . . . . 128 ILE HG2 . 15964 1 1212 . 1 1 113 113 ILE HG22 H 1 0.835 0.02 . 1 . . . . 128 ILE HG2 . 15964 1 1213 . 1 1 113 113 ILE HG23 H 1 0.835 0.02 . 1 . . . . 128 ILE HG2 . 15964 1 1214 . 1 1 113 113 ILE C C 13 176.274 0.5 . 1 . . . . 128 ILE C . 15964 1 1215 . 1 1 113 113 ILE CA C 13 61.61 0.5 . 1 . . . . 128 ILE CA . 15964 1 1216 . 1 1 113 113 ILE CB C 13 35.326 0.5 . 1 . . . . 128 ILE CB . 15964 1 1217 . 1 1 113 113 ILE CD1 C 13 12.967 0.5 . 1 . . . . 128 ILE CD1 . 15964 1 1218 . 1 1 113 113 ILE CG1 C 13 27.418 0.5 . 1 . . . . 128 ILE CG1 . 15964 1 1219 . 1 1 113 113 ILE CG2 C 13 18.118 0.5 . 1 . . . . 128 ILE CG2 . 15964 1 1220 . 1 1 113 113 ILE N N 15 123.507 0.5 . 1 . . . . 128 ILE N . 15964 1 1221 . 1 1 114 114 ILE H H 1 8.312 0.02 . 1 . . . . 129 ILE H . 15964 1 1222 . 1 1 114 114 ILE HA H 1 4.722 0.02 . 1 . . . . 129 ILE HA . 15964 1 1223 . 1 1 114 114 ILE HB H 1 1.709 0.02 . 1 . . . . 129 ILE HB . 15964 1 1224 . 1 1 114 114 ILE HD11 H 1 0.75 0.02 . 1 . . . . 129 ILE HD1 . 15964 1 1225 . 1 1 114 114 ILE HD12 H 1 0.75 0.02 . 1 . . . . 129 ILE HD1 . 15964 1 1226 . 1 1 114 114 ILE HD13 H 1 0.75 0.02 . 1 . . . . 129 ILE HD1 . 15964 1 1227 . 1 1 114 114 ILE HG12 H 1 1.002 0.02 . 2 . . . . 129 ILE HG12 . 15964 1 1228 . 1 1 114 114 ILE HG13 H 1 0.872 0.02 . 2 . . . . 129 ILE HG13 . 15964 1 1229 . 1 1 114 114 ILE HG21 H 1 0.781 0.02 . 1 . . . . 129 ILE HG2 . 15964 1 1230 . 1 1 114 114 ILE HG22 H 1 0.781 0.02 . 1 . . . . 129 ILE HG2 . 15964 1 1231 . 1 1 114 114 ILE HG23 H 1 0.781 0.02 . 1 . . . . 129 ILE HG2 . 15964 1 1232 . 1 1 114 114 ILE C C 13 174.436 0.5 . 1 . . . . 129 ILE C . 15964 1 1233 . 1 1 114 114 ILE CA C 13 58.968 0.5 . 1 . . . . 129 ILE CA . 15964 1 1234 . 1 1 114 114 ILE CB C 13 42.034 0.5 . 1 . . . . 129 ILE CB . 15964 1 1235 . 1 1 114 114 ILE CD1 C 13 14.671 0.5 . 1 . . . . 129 ILE CD1 . 15964 1 1236 . 1 1 114 114 ILE CG2 C 13 18.172 0.5 . 1 . . . . 129 ILE CG2 . 15964 1 1237 . 1 1 114 114 ILE N N 15 123.457 0.5 . 1 . . . . 129 ILE N . 15964 1 1238 . 1 1 115 115 ASN H H 1 8.59 0.02 . 1 . . . . 130 ASN H . 15964 1 1239 . 1 1 115 115 ASN HA H 1 4.577 0.02 . 1 . . . . 130 ASN HA . 15964 1 1240 . 1 1 115 115 ASN HB2 H 1 2.485 0.02 . 2 . . . . 130 ASN HB2 . 15964 1 1241 . 1 1 115 115 ASN HB3 H 1 0.943 0.02 . 2 . . . . 130 ASN HB3 . 15964 1 1242 . 1 1 115 115 ASN HD21 H 1 7.722 0.02 . 2 . . . . 130 ASN HD21 . 15964 1 1243 . 1 1 115 115 ASN HD22 H 1 6.073 0.02 . 2 . . . . 130 ASN HD22 . 15964 1 1244 . 1 1 115 115 ASN C C 13 176.472 0.5 . 1 . . . . 130 ASN C . 15964 1 1245 . 1 1 115 115 ASN CA C 13 51.382 0.5 . 1 . . . . 130 ASN CA . 15964 1 1246 . 1 1 115 115 ASN CB C 13 34.973 0.5 . 1 . . . . 130 ASN CB . 15964 1 1247 . 1 1 115 115 ASN N N 15 114.695 0.5 . 1 . . . . 130 ASN N . 15964 1 1248 . 1 1 115 115 ASN ND2 N 15 110.106 0.5 . 1 . . . . 130 ASN ND2 . 15964 1 1249 . 1 1 116 116 GLU H H 1 8.414 0.02 . 1 . . . . 131 GLU H . 15964 1 1250 . 1 1 116 116 GLU HA H 1 3.854 0.02 . 1 . . . . 131 GLU HA . 15964 1 1251 . 1 1 116 116 GLU HB2 H 1 2.071 0.02 . 2 . . . . 131 GLU HB2 . 15964 1 1252 . 1 1 116 116 GLU HB3 H 1 1.894 0.02 . 2 . . . . 131 GLU HB3 . 15964 1 1253 . 1 1 116 116 GLU HG2 H 1 2.316 0.02 . 1 . . . . 131 GLU HG2 . 15964 1 1254 . 1 1 116 116 GLU HG3 H 1 2.316 0.02 . 1 . . . . 131 GLU HG3 . 15964 1 1255 . 1 1 116 116 GLU C C 13 176.681 0.5 . 1 . . . . 131 GLU C . 15964 1 1256 . 1 1 116 116 GLU CA C 13 58.82 0.5 . 1 . . . . 131 GLU CA . 15964 1 1257 . 1 1 116 116 GLU CB C 13 29.347 0.5 . 1 . . . . 131 GLU CB . 15964 1 1258 . 1 1 116 116 GLU CG C 13 35.741 0.5 . 1 . . . . 131 GLU CG . 15964 1 1259 . 1 1 116 116 GLU N N 15 127.994 0.5 . 1 . . . . 131 GLU N . 15964 1 1260 . 1 1 117 117 ASN H H 1 7.513 0.02 . 1 . . . . 132 ASN H . 15964 1 1261 . 1 1 117 117 ASN HA H 1 4.905 0.02 . 1 . . . . 132 ASN HA . 15964 1 1262 . 1 1 117 117 ASN HB2 H 1 3.011 0.02 . 2 . . . . 132 ASN HB2 . 15964 1 1263 . 1 1 117 117 ASN HB3 H 1 2.497 0.02 . 2 . . . . 132 ASN HB3 . 15964 1 1264 . 1 1 117 117 ASN HD21 H 1 7.717 0.02 . 2 . . . . 132 ASN HD21 . 15964 1 1265 . 1 1 117 117 ASN HD22 H 1 7.123 0.02 . 2 . . . . 132 ASN HD22 . 15964 1 1266 . 1 1 117 117 ASN C C 13 174.418 0.5 . 1 . . . . 132 ASN C . 15964 1 1267 . 1 1 117 117 ASN CA C 13 52.89 0.5 . 1 . . . . 132 ASN CA . 15964 1 1268 . 1 1 117 117 ASN CB C 13 39.652 0.5 . 1 . . . . 132 ASN CB . 15964 1 1269 . 1 1 117 117 ASN N N 15 113.975 0.5 . 1 . . . . 132 ASN N . 15964 1 1270 . 1 1 117 117 ASN ND2 N 15 114.362 0.5 . 1 . . . . 132 ASN ND2 . 15964 1 1271 . 1 1 118 118 GLY H H 1 7.077 0.02 . 1 . . . . 133 GLY H . 15964 1 1272 . 1 1 118 118 GLY HA2 H 1 4.282 0.02 . 2 . . . . 133 GLY HA2 . 15964 1 1273 . 1 1 118 118 GLY HA3 H 1 3.64 0.02 . 2 . . . . 133 GLY HA3 . 15964 1 1274 . 1 1 118 118 GLY C C 13 172.75 0.5 . 1 . . . . 133 GLY C . 15964 1 1275 . 1 1 118 118 GLY CA C 13 44.44 0.5 . 1 . . . . 133 GLY CA . 15964 1 1276 . 1 1 118 118 GLY N N 15 107.344 0.5 . 1 . . . . 133 GLY N . 15964 1 1277 . 1 1 119 119 ASN H H 1 8.728 0.02 . 1 . . . . 134 ASN H . 15964 1 1278 . 1 1 119 119 ASN HA H 1 4.929 0.02 . 1 . . . . 134 ASN HA . 15964 1 1279 . 1 1 119 119 ASN HB2 H 1 2.876 0.02 . 2 . . . . 134 ASN HB2 . 15964 1 1280 . 1 1 119 119 ASN HB3 H 1 2.818 0.02 . 2 . . . . 134 ASN HB3 . 15964 1 1281 . 1 1 119 119 ASN HD21 H 1 7.811 0.02 . 2 . . . . 134 ASN HD21 . 15964 1 1282 . 1 1 119 119 ASN HD22 H 1 7.166 0.02 . 2 . . . . 134 ASN HD22 . 15964 1 1283 . 1 1 119 119 ASN CA C 13 50.274 0.5 . 1 . . . . 134 ASN CA . 15964 1 1284 . 1 1 119 119 ASN CB C 13 40.065 0.5 . 1 . . . . 134 ASN CB . 15964 1 1285 . 1 1 119 119 ASN N N 15 122.863 0.5 . 1 . . . . 134 ASN N . 15964 1 1286 . 1 1 119 119 ASN ND2 N 15 113.592 0.5 . 1 . . . . 134 ASN ND2 . 15964 1 1287 . 1 1 120 120 PRO HA H 1 4.24 0.02 . 1 . . . . 135 PRO HA . 15964 1 1288 . 1 1 120 120 PRO HB2 H 1 2.271 0.02 . 2 . . . . 135 PRO HB2 . 15964 1 1289 . 1 1 120 120 PRO HB3 H 1 1.923 0.02 . 2 . . . . 135 PRO HB3 . 15964 1 1290 . 1 1 120 120 PRO HD2 H 1 3.711 0.02 . 1 . . . . 135 PRO HD2 . 15964 1 1291 . 1 1 120 120 PRO HD3 H 1 3.711 0.02 . 1 . . . . 135 PRO HD3 . 15964 1 1292 . 1 1 120 120 PRO HG2 H 1 1.974 0.02 . 1 . . . . 135 PRO HG2 . 15964 1 1293 . 1 1 120 120 PRO HG3 H 1 1.974 0.02 . 1 . . . . 135 PRO HG3 . 15964 1 1294 . 1 1 120 120 PRO C C 13 177.289 0.5 . 1 . . . . 135 PRO C . 15964 1 1295 . 1 1 120 120 PRO CA C 13 64.378 0.5 . 1 . . . . 135 PRO CA . 15964 1 1296 . 1 1 120 120 PRO CB C 13 32.029 0.5 . 1 . . . . 135 PRO CB . 15964 1 1297 . 1 1 120 120 PRO CD C 13 50.454 0.5 . 1 . . . . 135 PRO CD . 15964 1 1298 . 1 1 120 120 PRO CG C 13 26.98 0.5 . 1 . . . . 135 PRO CG . 15964 1 1299 . 1 1 121 121 SER H H 1 8.241 0.02 . 1 . . . . 136 SER H . 15964 1 1300 . 1 1 121 121 SER HA H 1 4.161 0.02 . 1 . . . . 136 SER HA . 15964 1 1301 . 1 1 121 121 SER HB2 H 1 3.214 0.02 . 2 . . . . 136 SER HB2 . 15964 1 1302 . 1 1 121 121 SER HB3 H 1 3.069 0.02 . 2 . . . . 136 SER HB3 . 15964 1 1303 . 1 1 121 121 SER C C 13 171.446 0.5 . 1 . . . . 136 SER C . 15964 1 1304 . 1 1 121 121 SER CA C 13 60.057 0.5 . 1 . . . . 136 SER CA . 15964 1 1305 . 1 1 121 121 SER CB C 13 63.157 0.5 . 1 . . . . 136 SER CB . 15964 1 1306 . 1 1 121 121 SER N N 15 113.7 0.5 . 1 . . . . 136 SER N . 15964 1 1307 . 1 1 122 122 TYR H H 1 7.564 0.02 . 1 . . . . 137 TYR H . 15964 1 1308 . 1 1 122 122 TYR HA H 1 4.695 0.02 . 1 . . . . 137 TYR HA . 15964 1 1309 . 1 1 122 122 TYR HB2 H 1 2.456 0.02 . 2 . . . . 137 TYR HB2 . 15964 1 1310 . 1 1 122 122 TYR HB3 H 1 1.953 0.02 . 2 . . . . 137 TYR HB3 . 15964 1 1311 . 1 1 122 122 TYR HD1 H 1 6.209 0.02 . 1 . . . . 137 TYR HD1 . 15964 1 1312 . 1 1 122 122 TYR HD2 H 1 6.209 0.02 . 1 . . . . 137 TYR HD2 . 15964 1 1313 . 1 1 122 122 TYR HE1 H 1 6.51 0.02 . 1 . . . . 137 TYR HE1 . 15964 1 1314 . 1 1 122 122 TYR HE2 H 1 6.51 0.02 . 1 . . . . 137 TYR HE2 . 15964 1 1315 . 1 1 122 122 TYR C C 13 176.638 0.5 . 1 . . . . 137 TYR C . 15964 1 1316 . 1 1 122 122 TYR CA C 13 54.441 0.5 . 1 . . . . 137 TYR CA . 15964 1 1317 . 1 1 122 122 TYR CB C 13 38.833 0.5 . 1 . . . . 137 TYR CB . 15964 1 1318 . 1 1 122 122 TYR CD1 C 13 133.544 0.5 . 1 . . . . 137 TYR CD1 . 15964 1 1319 . 1 1 122 122 TYR CD2 C 13 133.544 0.5 . 1 . . . . 137 TYR CD2 . 15964 1 1320 . 1 1 122 122 TYR CE1 C 13 117.221 0.5 . 1 . . . . 137 TYR CE1 . 15964 1 1321 . 1 1 122 122 TYR CE2 C 13 117.221 0.5 . 1 . . . . 137 TYR CE2 . 15964 1 1322 . 1 1 122 122 TYR N N 15 119.926 0.5 . 1 . . . . 137 TYR N . 15964 1 1323 . 1 1 123 123 LYS H H 1 9.495 0.02 . 1 . . . . 138 LYS H . 15964 1 1324 . 1 1 123 123 LYS HA H 1 3.809 0.02 . 1 . . . . 138 LYS HA . 15964 1 1325 . 1 1 123 123 LYS HB2 H 1 0.939 0.02 . 1 . . . . 138 LYS HB2 . 15964 1 1326 . 1 1 123 123 LYS HB3 H 1 0.939 0.02 . 1 . . . . 138 LYS HB3 . 15964 1 1327 . 1 1 123 123 LYS HD2 H 1 1.61 0.02 . 1 . . . . 138 LYS HD2 . 15964 1 1328 . 1 1 123 123 LYS HD3 H 1 1.61 0.02 . 1 . . . . 138 LYS HD3 . 15964 1 1329 . 1 1 123 123 LYS HE2 H 1 3.023 0.02 . 1 . . . . 138 LYS HE2 . 15964 1 1330 . 1 1 123 123 LYS HE3 H 1 3.023 0.02 . 1 . . . . 138 LYS HE3 . 15964 1 1331 . 1 1 123 123 LYS HG2 H 1 1.491 0.02 . 2 . . . . 138 LYS HG2 . 15964 1 1332 . 1 1 123 123 LYS HG3 H 1 1.481 0.02 . 2 . . . . 138 LYS HG3 . 15964 1 1333 . 1 1 123 123 LYS C C 13 175.782 0.5 . 1 . . . . 138 LYS C . 15964 1 1334 . 1 1 123 123 LYS CA C 13 60.536 0.5 . 1 . . . . 138 LYS CA . 15964 1 1335 . 1 1 123 123 LYS CB C 13 31.834 0.5 . 1 . . . . 138 LYS CB . 15964 1 1336 . 1 1 123 123 LYS CD C 13 29.59 0.5 . 1 . . . . 138 LYS CD . 15964 1 1337 . 1 1 123 123 LYS CE C 13 41.932 0.5 . 1 . . . . 138 LYS CE . 15964 1 1338 . 1 1 123 123 LYS CG C 13 26.298 0.5 . 1 . . . . 138 LYS CG . 15964 1 1339 . 1 1 123 123 LYS N N 15 124.053 0.5 . 1 . . . . 138 LYS N . 15964 1 1340 . 1 1 124 124 TYR H H 1 8.454 0.02 . 1 . . . . 139 TYR H . 15964 1 1341 . 1 1 124 124 TYR HA H 1 5.147 0.02 . 1 . . . . 139 TYR HA . 15964 1 1342 . 1 1 124 124 TYR HB2 H 1 4.195 0.02 . 2 . . . . 139 TYR HB2 . 15964 1 1343 . 1 1 124 124 TYR HB3 H 1 2.773 0.02 . 2 . . . . 139 TYR HB3 . 15964 1 1344 . 1 1 124 124 TYR HD1 H 1 7.551 0.02 . 1 . . . . 139 TYR HD1 . 15964 1 1345 . 1 1 124 124 TYR HD2 H 1 7.551 0.02 . 1 . . . . 139 TYR HD2 . 15964 1 1346 . 1 1 124 124 TYR HE1 H 1 6.95 0.02 . 1 . . . . 139 TYR HE1 . 15964 1 1347 . 1 1 124 124 TYR HE2 H 1 6.95 0.02 . 1 . . . . 139 TYR HE2 . 15964 1 1348 . 1 1 124 124 TYR C C 13 175.048 0.5 . 1 . . . . 139 TYR C . 15964 1 1349 . 1 1 124 124 TYR CA C 13 55.988 0.5 . 1 . . . . 139 TYR CA . 15964 1 1350 . 1 1 124 124 TYR CB C 13 37.66 0.5 . 1 . . . . 139 TYR CB . 15964 1 1351 . 1 1 124 124 TYR CD1 C 13 134.169 0.5 . 1 . . . . 139 TYR CD1 . 15964 1 1352 . 1 1 124 124 TYR CD2 C 13 134.169 0.5 . 1 . . . . 139 TYR CD2 . 15964 1 1353 . 1 1 124 124 TYR CE1 C 13 117.833 0.5 . 1 . . . . 139 TYR CE1 . 15964 1 1354 . 1 1 124 124 TYR CE2 C 13 117.833 0.5 . 1 . . . . 139 TYR CE2 . 15964 1 1355 . 1 1 124 124 TYR N N 15 113.725 0.5 . 1 . . . . 139 TYR N . 15964 1 1356 . 1 1 125 125 PHE H H 1 7.569 0.02 . 1 . . . . 140 PHE H . 15964 1 1357 . 1 1 125 125 PHE HA H 1 5.324 0.02 . 1 . . . . 140 PHE HA . 15964 1 1358 . 1 1 125 125 PHE HB2 H 1 3.317 0.02 . 2 . . . . 140 PHE HB2 . 15964 1 1359 . 1 1 125 125 PHE HB3 H 1 3.097 0.02 . 2 . . . . 140 PHE HB3 . 15964 1 1360 . 1 1 125 125 PHE HD1 H 1 7.329 0.02 . 1 . . . . 140 PHE HD1 . 15964 1 1361 . 1 1 125 125 PHE HD2 H 1 7.329 0.02 . 1 . . . . 140 PHE HD2 . 15964 1 1362 . 1 1 125 125 PHE HE1 H 1 7.344 0.02 . 1 . . . . 140 PHE HE1 . 15964 1 1363 . 1 1 125 125 PHE HE2 H 1 7.344 0.02 . 1 . . . . 140 PHE HE2 . 15964 1 1364 . 1 1 125 125 PHE HZ H 1 7.332 0.02 . 1 . . . . 140 PHE HZ . 15964 1 1365 . 1 1 125 125 PHE C C 13 175.131 0.5 . 1 . . . . 140 PHE C . 15964 1 1366 . 1 1 125 125 PHE CA C 13 56.639 0.5 . 1 . . . . 140 PHE CA . 15964 1 1367 . 1 1 125 125 PHE CB C 13 41.109 0.5 . 1 . . . . 140 PHE CB . 15964 1 1368 . 1 1 125 125 PHE N N 15 122.842 0.5 . 1 . . . . 140 PHE N . 15964 1 1369 . 1 1 126 126 TYR H H 1 8.231 0.02 . 1 . . . . 141 TYR H . 15964 1 1370 . 1 1 126 126 TYR HA H 1 4.476 0.02 . 1 . . . . 141 TYR HA . 15964 1 1371 . 1 1 126 126 TYR HB2 H 1 2.606 0.02 . 1 . . . . 141 TYR HB2 . 15964 1 1372 . 1 1 126 126 TYR HB3 H 1 2.606 0.02 . 1 . . . . 141 TYR HB3 . 15964 1 1373 . 1 1 126 126 TYR HD1 H 1 7.037 0.02 . 1 . . . . 141 TYR HD1 . 15964 1 1374 . 1 1 126 126 TYR HD2 H 1 7.037 0.02 . 1 . . . . 141 TYR HD2 . 15964 1 1375 . 1 1 126 126 TYR HE1 H 1 7.183 0.02 . 1 . . . . 141 TYR HE1 . 15964 1 1376 . 1 1 126 126 TYR HE2 H 1 7.183 0.02 . 1 . . . . 141 TYR HE2 . 15964 1 1377 . 1 1 126 126 TYR C C 13 172.993 0.5 . 1 . . . . 141 TYR C . 15964 1 1378 . 1 1 126 126 TYR CA C 13 57.034 0.5 . 1 . . . . 141 TYR CA . 15964 1 1379 . 1 1 126 126 TYR CB C 13 41.457 0.5 . 1 . . . . 141 TYR CB . 15964 1 1380 . 1 1 126 126 TYR N N 15 129.357 0.5 . 1 . . . . 141 TYR N . 15964 1 1381 . 1 1 127 127 VAL H H 1 8.129 0.02 . 1 . . . . 142 VAL H . 15964 1 1382 . 1 1 127 127 VAL HA H 1 4.299 0.02 . 1 . . . . 142 VAL HA . 15964 1 1383 . 1 1 127 127 VAL HB H 1 2.142 0.02 . 1 . . . . 142 VAL HB . 15964 1 1384 . 1 1 127 127 VAL HG11 H 1 0.923 0.02 . 2 . . . . 142 VAL HG1 . 15964 1 1385 . 1 1 127 127 VAL HG12 H 1 0.923 0.02 . 2 . . . . 142 VAL HG1 . 15964 1 1386 . 1 1 127 127 VAL HG13 H 1 0.923 0.02 . 2 . . . . 142 VAL HG1 . 15964 1 1387 . 1 1 127 127 VAL HG21 H 1 0.765 0.02 . 2 . . . . 142 VAL HG2 . 15964 1 1388 . 1 1 127 127 VAL HG22 H 1 0.765 0.02 . 2 . . . . 142 VAL HG2 . 15964 1 1389 . 1 1 127 127 VAL HG23 H 1 0.765 0.02 . 2 . . . . 142 VAL HG2 . 15964 1 1390 . 1 1 127 127 VAL C C 13 174.989 0.5 . 1 . . . . 142 VAL C . 15964 1 1391 . 1 1 127 127 VAL CA C 13 61.436 0.5 . 1 . . . . 142 VAL CA . 15964 1 1392 . 1 1 127 127 VAL CB C 13 34.124 0.5 . 1 . . . . 142 VAL CB . 15964 1 1393 . 1 1 127 127 VAL CG1 C 13 20.37 0.5 . 2 . . . . 142 VAL CG1 . 15964 1 1394 . 1 1 127 127 VAL CG2 C 13 21.337 0.5 . 2 . . . . 142 VAL CG2 . 15964 1 1395 . 1 1 127 127 VAL N N 15 112.735 0.5 . 1 . . . . 142 VAL N . 15964 1 1396 . 1 1 128 128 SER H H 1 7.345 0.02 . 1 . . . . 143 SER H . 15964 1 1397 . 1 1 128 128 SER HA H 1 4.845 0.02 . 1 . . . . 143 SER HA . 15964 1 1398 . 1 1 128 128 SER HB2 H 1 4.342 0.02 . 2 . . . . 143 SER HB2 . 15964 1 1399 . 1 1 128 128 SER HB3 H 1 3.797 0.02 . 2 . . . . 143 SER HB3 . 15964 1 1400 . 1 1 128 128 SER C C 13 174.063 0.5 . 1 . . . . 143 SER C . 15964 1 1401 . 1 1 128 128 SER CA C 13 54.902 0.5 . 1 . . . . 143 SER CA . 15964 1 1402 . 1 1 128 128 SER CB C 13 62.998 0.5 . 1 . . . . 143 SER CB . 15964 1 1403 . 1 1 128 128 SER N N 15 113.07 0.5 . 1 . . . . 143 SER N . 15964 1 1404 . 1 1 129 129 ALA H H 1 9.319 0.02 . 1 . . . . 144 ALA H . 15964 1 1405 . 1 1 129 129 ALA HA H 1 3.887 0.02 . 1 . . . . 144 ALA HA . 15964 1 1406 . 1 1 129 129 ALA HB1 H 1 1.441 0.02 . 1 . . . . 144 ALA HB . 15964 1 1407 . 1 1 129 129 ALA HB2 H 1 1.441 0.02 . 1 . . . . 144 ALA HB . 15964 1 1408 . 1 1 129 129 ALA HB3 H 1 1.441 0.02 . 1 . . . . 144 ALA HB . 15964 1 1409 . 1 1 129 129 ALA C C 13 178.562 0.5 . 1 . . . . 144 ALA C . 15964 1 1410 . 1 1 129 129 ALA CA C 13 55.558 0.5 . 1 . . . . 144 ALA CA . 15964 1 1411 . 1 1 129 129 ALA CB C 13 17.833 0.5 . 1 . . . . 144 ALA CB . 15964 1 1412 . 1 1 129 129 ALA N N 15 124.413 0.5 . 1 . . . . 144 ALA N . 15964 1 1413 . 1 1 130 130 GLU H H 1 9.104 0.02 . 1 . . . . 145 GLU H . 15964 1 1414 . 1 1 130 130 GLU HA H 1 3.959 0.02 . 1 . . . . 145 GLU HA . 15964 1 1415 . 1 1 130 130 GLU HB2 H 1 2.133 0.02 . 2 . . . . 145 GLU HB2 . 15964 1 1416 . 1 1 130 130 GLU HB3 H 1 1.959 0.02 . 2 . . . . 145 GLU HB3 . 15964 1 1417 . 1 1 130 130 GLU HG2 H 1 2.45 0.02 . 2 . . . . 145 GLU HG2 . 15964 1 1418 . 1 1 130 130 GLU HG3 H 1 2.3 0.02 . 2 . . . . 145 GLU HG3 . 15964 1 1419 . 1 1 130 130 GLU C C 13 179.798 0.5 . 1 . . . . 145 GLU C . 15964 1 1420 . 1 1 130 130 GLU CA C 13 60.632 0.5 . 1 . . . . 145 GLU CA . 15964 1 1421 . 1 1 130 130 GLU CB C 13 28.666 0.5 . 1 . . . . 145 GLU CB . 15964 1 1422 . 1 1 130 130 GLU CG C 13 36.874 0.5 . 1 . . . . 145 GLU CG . 15964 1 1423 . 1 1 130 130 GLU N N 15 117.052 0.5 . 1 . . . . 145 GLU N . 15964 1 1424 . 1 1 131 131 GLN H H 1 7.601 0.02 . 1 . . . . 146 GLN H . 15964 1 1425 . 1 1 131 131 GLN HA H 1 4.269 0.02 . 1 . . . . 146 GLN HA . 15964 1 1426 . 1 1 131 131 GLN HB2 H 1 2.261 0.02 . 2 . . . . 146 GLN HB2 . 15964 1 1427 . 1 1 131 131 GLN HB3 H 1 2.033 0.02 . 2 . . . . 146 GLN HB3 . 15964 1 1428 . 1 1 131 131 GLN HE21 H 1 7.571 0.02 . 2 . . . . 146 GLN HE21 . 15964 1 1429 . 1 1 131 131 GLN HE22 H 1 6.924 0.02 . 2 . . . . 146 GLN HE22 . 15964 1 1430 . 1 1 131 131 GLN HG2 H 1 2.378 0.02 . 1 . . . . 146 GLN HG2 . 15964 1 1431 . 1 1 131 131 GLN HG3 H 1 2.378 0.02 . 1 . . . . 146 GLN HG3 . 15964 1 1432 . 1 1 131 131 GLN C C 13 179.516 0.5 . 1 . . . . 146 GLN C . 15964 1 1433 . 1 1 131 131 GLN CA C 13 58.615 0.5 . 1 . . . . 146 GLN CA . 15964 1 1434 . 1 1 131 131 GLN CB C 13 28.461 0.5 . 1 . . . . 146 GLN CB . 15964 1 1435 . 1 1 131 131 GLN CG C 13 36.747 0.5 . 1 . . . . 146 GLN CG . 15964 1 1436 . 1 1 131 131 GLN N N 15 117.672 0.5 . 1 . . . . 146 GLN N . 15964 1 1437 . 1 1 131 131 GLN NE2 N 15 112.499 0.5 . 1 . . . . 146 GLN NE2 . 15964 1 1438 . 1 1 132 132 VAL H H 1 7.747 0.02 . 1 . . . . 147 VAL H . 15964 1 1439 . 1 1 132 132 VAL HA H 1 3.419 0.02 . 1 . . . . 147 VAL HA . 15964 1 1440 . 1 1 132 132 VAL HB H 1 2.253 0.02 . 1 . . . . 147 VAL HB . 15964 1 1441 . 1 1 132 132 VAL HG11 H 1 0.872 0.02 . 2 . . . . 147 VAL HG1 . 15964 1 1442 . 1 1 132 132 VAL HG12 H 1 0.872 0.02 . 2 . . . . 147 VAL HG1 . 15964 1 1443 . 1 1 132 132 VAL HG13 H 1 0.872 0.02 . 2 . . . . 147 VAL HG1 . 15964 1 1444 . 1 1 132 132 VAL HG21 H 1 0.724 0.02 . 2 . . . . 147 VAL HG2 . 15964 1 1445 . 1 1 132 132 VAL HG22 H 1 0.724 0.02 . 2 . . . . 147 VAL HG2 . 15964 1 1446 . 1 1 132 132 VAL HG23 H 1 0.724 0.02 . 2 . . . . 147 VAL HG2 . 15964 1 1447 . 1 1 132 132 VAL C C 13 177.688 0.5 . 1 . . . . 147 VAL C . 15964 1 1448 . 1 1 132 132 VAL CA C 13 66.874 0.5 . 1 . . . . 147 VAL CA . 15964 1 1449 . 1 1 132 132 VAL CB C 13 31.103 0.5 . 1 . . . . 147 VAL CB . 15964 1 1450 . 1 1 132 132 VAL CG1 C 13 22.518 0.5 . 2 . . . . 147 VAL CG1 . 15964 1 1451 . 1 1 132 132 VAL CG2 C 13 22.827 0.5 . 2 . . . . 147 VAL CG2 . 15964 1 1452 . 1 1 132 132 VAL N N 15 121.488 0.5 . 1 . . . . 147 VAL N . 15964 1 1453 . 1 1 133 133 VAL H H 1 8.563 0.02 . 1 . . . . 148 VAL H . 15964 1 1454 . 1 1 133 133 VAL HA H 1 3.313 0.02 . 1 . . . . 148 VAL HA . 15964 1 1455 . 1 1 133 133 VAL HB H 1 2.07 0.02 . 1 . . . . 148 VAL HB . 15964 1 1456 . 1 1 133 133 VAL HG11 H 1 0.899 0.02 . 2 . . . . 148 VAL HG1 . 15964 1 1457 . 1 1 133 133 VAL HG12 H 1 0.899 0.02 . 2 . . . . 148 VAL HG1 . 15964 1 1458 . 1 1 133 133 VAL HG13 H 1 0.899 0.02 . 2 . . . . 148 VAL HG1 . 15964 1 1459 . 1 1 133 133 VAL HG21 H 1 0.852 0.02 . 2 . . . . 148 VAL HG2 . 15964 1 1460 . 1 1 133 133 VAL HG22 H 1 0.852 0.02 . 2 . . . . 148 VAL HG2 . 15964 1 1461 . 1 1 133 133 VAL HG23 H 1 0.852 0.02 . 2 . . . . 148 VAL HG2 . 15964 1 1462 . 1 1 133 133 VAL C C 13 177.214 0.5 . 1 . . . . 148 VAL C . 15964 1 1463 . 1 1 133 133 VAL CA C 13 66.975 0.5 . 1 . . . . 148 VAL CA . 15964 1 1464 . 1 1 133 133 VAL CB C 13 31.787 0.5 . 1 . . . . 148 VAL CB . 15964 1 1465 . 1 1 133 133 VAL CG1 C 13 24.345 0.5 . 2 . . . . 148 VAL CG1 . 15964 1 1466 . 1 1 133 133 VAL CG2 C 13 20.976 0.5 . 2 . . . . 148 VAL CG2 . 15964 1 1467 . 1 1 133 133 VAL N N 15 119.638 0.5 . 1 . . . . 148 VAL N . 15964 1 1468 . 1 1 134 134 GLN H H 1 7.345 0.02 . 1 . . . . 149 GLN H . 15964 1 1469 . 1 1 134 134 GLN HA H 1 4.004 0.02 . 1 . . . . 149 GLN HA . 15964 1 1470 . 1 1 134 134 GLN HB2 H 1 2.276 0.02 . 1 . . . . 149 GLN HB2 . 15964 1 1471 . 1 1 134 134 GLN HB3 H 1 2.276 0.02 . 1 . . . . 149 GLN HB3 . 15964 1 1472 . 1 1 134 134 GLN HE21 H 1 6.794 0.02 . 2 . . . . 149 GLN HE21 . 15964 1 1473 . 1 1 134 134 GLN HE22 H 1 6.246 0.02 . 2 . . . . 149 GLN HE22 . 15964 1 1474 . 1 1 134 134 GLN HG2 H 1 2.548 0.02 . 1 . . . . 149 GLN HG2 . 15964 1 1475 . 1 1 134 134 GLN HG3 H 1 2.548 0.02 . 1 . . . . 149 GLN HG3 . 15964 1 1476 . 1 1 134 134 GLN C C 13 179.157 0.5 . 1 . . . . 149 GLN C . 15964 1 1477 . 1 1 134 134 GLN CA C 13 59.085 0.5 . 1 . . . . 149 GLN CA . 15964 1 1478 . 1 1 134 134 GLN CB C 13 27.697 0.5 . 1 . . . . 149 GLN CB . 15964 1 1479 . 1 1 134 134 GLN CG C 13 33.677 0.5 . 1 . . . . 149 GLN CG . 15964 1 1480 . 1 1 134 134 GLN N N 15 117.119 0.5 . 1 . . . . 149 GLN N . 15964 1 1481 . 1 1 134 134 GLN NE2 N 15 108.369 0.5 . 1 . . . . 149 GLN NE2 . 15964 1 1482 . 1 1 135 135 GLY H H 1 8.056 0.02 . 1 . . . . 150 GLY H . 15964 1 1483 . 1 1 135 135 GLY HA2 H 1 4.179 0.02 . 2 . . . . 150 GLY HA2 . 15964 1 1484 . 1 1 135 135 GLY HA3 H 1 3.856 0.02 . 2 . . . . 150 GLY HA3 . 15964 1 1485 . 1 1 135 135 GLY C C 13 174.497 0.5 . 1 . . . . 150 GLY C . 15964 1 1486 . 1 1 135 135 GLY CA C 13 47.274 0.5 . 1 . . . . 150 GLY CA . 15964 1 1487 . 1 1 135 135 GLY N N 15 107.932 0.5 . 1 . . . . 150 GLY N . 15964 1 1488 . 1 1 136 136 MET H H 1 8.6 0.02 . 1 . . . . 151 MET H . 15964 1 1489 . 1 1 136 136 MET HA H 1 3.574 0.02 . 1 . . . . 151 MET HA . 15964 1 1490 . 1 1 136 136 MET HB2 H 1 2.13 0.02 . 2 . . . . 151 MET HB2 . 15964 1 1491 . 1 1 136 136 MET HB3 H 1 2.01 0.02 . 2 . . . . 151 MET HB3 . 15964 1 1492 . 1 1 136 136 MET HE1 H 1 2.139 0.02 . 1 . . . . 151 MET HE . 15964 1 1493 . 1 1 136 136 MET HE2 H 1 2.139 0.02 . 1 . . . . 151 MET HE . 15964 1 1494 . 1 1 136 136 MET HE3 H 1 2.139 0.02 . 1 . . . . 151 MET HE . 15964 1 1495 . 1 1 136 136 MET HG2 H 1 2.723 0.02 . 1 . . . . 151 MET HG2 . 15964 1 1496 . 1 1 136 136 MET HG3 H 1 2.723 0.02 . 1 . . . . 151 MET HG3 . 15964 1 1497 . 1 1 136 136 MET C C 13 178.973 0.5 . 1 . . . . 151 MET C . 15964 1 1498 . 1 1 136 136 MET CA C 13 59.636 0.5 . 1 . . . . 151 MET CA . 15964 1 1499 . 1 1 136 136 MET CB C 13 35.26 0.5 . 1 . . . . 151 MET CB . 15964 1 1500 . 1 1 136 136 MET CG C 13 32.402 0.5 . 1 . . . . 151 MET CG . 15964 1 1501 . 1 1 136 136 MET N N 15 119.595 0.5 . 1 . . . . 151 MET N . 15964 1 1502 . 1 1 137 137 LYS H H 1 8.576 0.02 . 1 . . . . 152 LYS H . 15964 1 1503 . 1 1 137 137 LYS HA H 1 3.946 0.02 . 5 . . . . 152 LYS HA . 15964 1 1504 . 1 1 137 137 LYS HB2 H 1 1.873 0.02 . 5 . . . . 152 LYS HB2 . 15964 1 1505 . 1 1 137 137 LYS HD2 H 1 1.617 0.02 . 5 . . . . 152 LYS HD2 . 15964 1 1506 . 1 1 137 137 LYS HE2 H 1 2.892 0.02 . 5 . . . . 152 LYS HE2 . 15964 1 1507 . 1 1 137 137 LYS HE3 H 1 2.818 0.02 . 5 . . . . 152 LYS HE3 . 15964 1 1508 . 1 1 137 137 LYS HG2 H 1 1.725 0.02 . 5 . . . . 152 LYS HG2 . 15964 1 1509 . 1 1 137 137 LYS HG3 H 1 1.368 0.02 . 5 . . . . 152 LYS HG3 . 15964 1 1510 . 1 1 137 137 LYS C C 13 179.632 0.5 . 1 . . . . 152 LYS C . 15964 1 1511 . 1 1 137 137 LYS CA C 13 60.606 0.5 . 5 . . . . 152 LYS CA . 15964 1 1512 . 1 1 137 137 LYS CB C 13 32.364 0.5 . 5 . . . . 152 LYS CB . 15964 1 1513 . 1 1 137 137 LYS CD C 13 29.711 0.5 . 5 . . . . 152 LYS CD . 15964 1 1514 . 1 1 137 137 LYS CE C 13 42.182 0.5 . 5 . . . . 152 LYS CE . 15964 1 1515 . 1 1 137 137 LYS CG C 13 26.613 0.5 . 5 . . . . 152 LYS CG . 15964 1 1516 . 1 1 137 137 LYS N N 15 119.239 0.5 . 1 . . . . 152 LYS N . 15964 1 1517 . 1 1 138 138 GLU H H 1 7.832 0.02 . 1 . . . . 153 GLU H . 15964 1 1518 . 1 1 138 138 GLU HA H 1 4.074 0.02 . 1 . . . . 153 GLU HA . 15964 1 1519 . 1 1 138 138 GLU HB2 H 1 2.074 0.02 . 1 . . . . 153 GLU HB2 . 15964 1 1520 . 1 1 138 138 GLU HB3 H 1 2.074 0.02 . 1 . . . . 153 GLU HB3 . 15964 1 1521 . 1 1 138 138 GLU HG2 H 1 2.335 0.02 . 1 . . . . 153 GLU HG2 . 15964 1 1522 . 1 1 138 138 GLU HG3 H 1 2.335 0.02 . 1 . . . . 153 GLU HG3 . 15964 1 1523 . 1 1 138 138 GLU C C 13 178.638 0.5 . 1 . . . . 153 GLU C . 15964 1 1524 . 1 1 138 138 GLU CA C 13 59.136 0.5 . 1 . . . . 153 GLU CA . 15964 1 1525 . 1 1 138 138 GLU CB C 13 29.053 0.5 . 1 . . . . 153 GLU CB . 15964 1 1526 . 1 1 138 138 GLU CG C 13 35.338 0.5 . 1 . . . . 153 GLU CG . 15964 1 1527 . 1 1 138 138 GLU N N 15 120.8 0.5 . 1 . . . . 153 GLU N . 15964 1 1528 . 1 1 139 139 ALA H H 1 8.462 0.02 . 1 . . . . 154 ALA H . 15964 1 1529 . 1 1 139 139 ALA HA H 1 3.638 0.02 . 1 . . . . 154 ALA HA . 15964 1 1530 . 1 1 139 139 ALA HB1 H 1 0.761 0.02 . 1 . . . . 154 ALA HB . 15964 1 1531 . 1 1 139 139 ALA HB2 H 1 0.761 0.02 . 1 . . . . 154 ALA HB . 15964 1 1532 . 1 1 139 139 ALA HB3 H 1 0.761 0.02 . 1 . . . . 154 ALA HB . 15964 1 1533 . 1 1 139 139 ALA C C 13 179.36 0.5 . 1 . . . . 154 ALA C . 15964 1 1534 . 1 1 139 139 ALA CA C 13 55.318 0.5 . 1 . . . . 154 ALA CA . 15964 1 1535 . 1 1 139 139 ALA CB C 13 18.587 0.5 . 1 . . . . 154 ALA CB . 15964 1 1536 . 1 1 139 139 ALA N N 15 120.62 0.5 . 1 . . . . 154 ALA N . 15964 1 1537 . 1 1 140 140 GLN H H 1 8.56 0.02 . 1 . . . . 155 GLN H . 15964 1 1538 . 1 1 140 140 GLN HA H 1 3.594 0.02 . 1 . . . . 155 GLN HA . 15964 1 1539 . 1 1 140 140 GLN HB2 H 1 2.135 0.02 . 2 . . . . 155 GLN HB2 . 15964 1 1540 . 1 1 140 140 GLN HB3 H 1 2.086 0.02 . 2 . . . . 155 GLN HB3 . 15964 1 1541 . 1 1 140 140 GLN HE21 H 1 7.551 0.02 . 2 . . . . 155 GLN HE21 . 15964 1 1542 . 1 1 140 140 GLN HE22 H 1 6.975 0.02 . 2 . . . . 155 GLN HE22 . 15964 1 1543 . 1 1 140 140 GLN HG2 H 1 2.283 0.02 . 1 . . . . 155 GLN HG2 . 15964 1 1544 . 1 1 140 140 GLN HG3 H 1 2.283 0.02 . 1 . . . . 155 GLN HG3 . 15964 1 1545 . 1 1 140 140 GLN C C 13 178.637 0.5 . 1 . . . . 155 GLN C . 15964 1 1546 . 1 1 140 140 GLN CA C 13 58.881 0.5 . 1 . . . . 155 GLN CA . 15964 1 1547 . 1 1 140 140 GLN CB C 13 27.674 0.5 . 1 . . . . 155 GLN CB . 15964 1 1548 . 1 1 140 140 GLN CG C 13 33.153 0.5 . 1 . . . . 155 GLN CG . 15964 1 1549 . 1 1 140 140 GLN N N 15 116.542 0.5 . 1 . . . . 155 GLN N . 15964 1 1550 . 1 1 140 140 GLN NE2 N 15 111.864 0.5 . 1 . . . . 155 GLN NE2 . 15964 1 1551 . 1 1 141 141 GLU H H 1 7.538 0.02 . 1 . . . . 156 GLU H . 15964 1 1552 . 1 1 141 141 GLU HA H 1 4.018 0.02 . 1 . . . . 156 GLU HA . 15964 1 1553 . 1 1 141 141 GLU HB2 H 1 2.164 0.02 . 1 . . . . 156 GLU HB2 . 15964 1 1554 . 1 1 141 141 GLU HB3 H 1 2.164 0.02 . 1 . . . . 156 GLU HB3 . 15964 1 1555 . 1 1 141 141 GLU HG2 H 1 2.266 0.02 . 1 . . . . 156 GLU HG2 . 15964 1 1556 . 1 1 141 141 GLU HG3 H 1 2.266 0.02 . 1 . . . . 156 GLU HG3 . 15964 1 1557 . 1 1 141 141 GLU C C 13 178.472 0.5 . 1 . . . . 156 GLU C . 15964 1 1558 . 1 1 141 141 GLU CA C 13 58.984 0.5 . 1 . . . . 156 GLU CA . 15964 1 1559 . 1 1 141 141 GLU CB C 13 29.749 0.5 . 1 . . . . 156 GLU CB . 15964 1 1560 . 1 1 141 141 GLU CG C 13 36.077 0.5 . 1 . . . . 156 GLU CG . 15964 1 1561 . 1 1 141 141 GLU N N 15 118.838 0.5 . 1 . . . . 156 GLU N . 15964 1 1562 . 1 1 142 142 ARG H H 1 8.123 0.02 . 1 . . . . 157 ARG H . 15964 1 1563 . 1 1 142 142 ARG HA H 1 4.221 0.02 . 1 . . . . 157 ARG HA . 15964 1 1564 . 1 1 142 142 ARG HB2 H 1 1.84 0.02 . 2 . . . . 157 ARG HB2 . 15964 1 1565 . 1 1 142 142 ARG HB3 H 1 1.621 0.02 . 2 . . . . 157 ARG HB3 . 15964 1 1566 . 1 1 142 142 ARG HD2 H 1 3.107 0.02 . 1 . . . . 157 ARG HD2 . 15964 1 1567 . 1 1 142 142 ARG HD3 H 1 3.107 0.02 . 1 . . . . 157 ARG HD3 . 15964 1 1568 . 1 1 142 142 ARG HG2 H 1 1.719 0.02 . 1 . . . . 157 ARG HG2 . 15964 1 1569 . 1 1 142 142 ARG HG3 H 1 1.719 0.02 . 1 . . . . 157 ARG HG3 . 15964 1 1570 . 1 1 142 142 ARG C C 13 178.598 0.5 . 1 . . . . 157 ARG C . 15964 1 1571 . 1 1 142 142 ARG CA C 13 58.102 0.5 . 1 . . . . 157 ARG CA . 15964 1 1572 . 1 1 142 142 ARG CB C 13 31.769 0.5 . 1 . . . . 157 ARG CB . 15964 1 1573 . 1 1 142 142 ARG CD C 13 43.411 0.5 . 1 . . . . 157 ARG CD . 15964 1 1574 . 1 1 142 142 ARG CG C 13 27.741 0.5 . 1 . . . . 157 ARG CG . 15964 1 1575 . 1 1 142 142 ARG N N 15 114.758 0.5 . 1 . . . . 157 ARG N . 15964 1 1576 . 1 1 143 143 LEU H H 1 8.232 0.02 . 1 . . . . 158 LEU H . 15964 1 1577 . 1 1 143 143 LEU HA H 1 4.385 0.02 . 1 . . . . 158 LEU HA . 15964 1 1578 . 1 1 143 143 LEU HB2 H 1 1.789 0.02 . 2 . . . . 158 LEU HB2 . 15964 1 1579 . 1 1 143 143 LEU HB3 H 1 1.221 0.02 . 2 . . . . 158 LEU HB3 . 15964 1 1580 . 1 1 143 143 LEU HD11 H 1 0.584 0.02 . 2 . . . . 158 LEU HD1 . 15964 1 1581 . 1 1 143 143 LEU HD12 H 1 0.584 0.02 . 2 . . . . 158 LEU HD1 . 15964 1 1582 . 1 1 143 143 LEU HD13 H 1 0.584 0.02 . 2 . . . . 158 LEU HD1 . 15964 1 1583 . 1 1 143 143 LEU HD21 H 1 -0.044 0.02 . 2 . . . . 158 LEU HD2 . 15964 1 1584 . 1 1 143 143 LEU HD22 H 1 -0.044 0.02 . 2 . . . . 158 LEU HD2 . 15964 1 1585 . 1 1 143 143 LEU HD23 H 1 -0.044 0.02 . 2 . . . . 158 LEU HD2 . 15964 1 1586 . 1 1 143 143 LEU HG H 1 1.52 0.02 . 1 . . . . 158 LEU HG . 15964 1 1587 . 1 1 143 143 LEU C C 13 176.331 0.5 . 1 . . . . 158 LEU C . 15964 1 1588 . 1 1 143 143 LEU CA C 13 54.535 0.5 . 1 . . . . 158 LEU CA . 15964 1 1589 . 1 1 143 143 LEU CB C 13 42.449 0.5 . 1 . . . . 158 LEU CB . 15964 1 1590 . 1 1 143 143 LEU CD1 C 13 25.957 0.5 . 2 . . . . 158 LEU CD1 . 15964 1 1591 . 1 1 143 143 LEU CD2 C 13 20.871 0.5 . 2 . . . . 158 LEU CD2 . 15964 1 1592 . 1 1 143 143 LEU CG C 13 26.441 0.5 . 1 . . . . 158 LEU CG . 15964 1 1593 . 1 1 143 143 LEU N N 15 113.531 0.5 . 1 . . . . 158 LEU N . 15964 1 1594 . 1 1 144 144 THR H H 1 6.97 0.02 . 1 . . . . 159 THR H . 15964 1 1595 . 1 1 144 144 THR HA H 1 4.262 0.02 . 1 . . . . 159 THR HA . 15964 1 1596 . 1 1 144 144 THR HB H 1 4.196 0.02 . 1 . . . . 159 THR HB . 15964 1 1597 . 1 1 144 144 THR HG21 H 1 1.248 0.02 . 1 . . . . 159 THR HG2 . 15964 1 1598 . 1 1 144 144 THR HG22 H 1 1.248 0.02 . 1 . . . . 159 THR HG2 . 15964 1 1599 . 1 1 144 144 THR HG23 H 1 1.248 0.02 . 1 . . . . 159 THR HG2 . 15964 1 1600 . 1 1 144 144 THR C C 13 175.176 0.5 . 1 . . . . 159 THR C . 15964 1 1601 . 1 1 144 144 THR CA C 13 63.111 0.5 . 1 . . . . 159 THR CA . 15964 1 1602 . 1 1 144 144 THR CB C 13 69.544 0.5 . 1 . . . . 159 THR CB . 15964 1 1603 . 1 1 144 144 THR CG2 C 13 21.707 0.5 . 1 . . . . 159 THR CG2 . 15964 1 1604 . 1 1 144 144 THR N N 15 111.231 0.5 . 1 . . . . 159 THR N . 15964 1 1605 . 1 1 145 145 GLY H H 1 8.666 0.02 . 1 . . . . 160 GLY H . 15964 1 1606 . 1 1 145 145 GLY HA2 H 1 4.019 0.02 . 1 . . . . 160 GLY HA2 . 15964 1 1607 . 1 1 145 145 GLY HA3 H 1 4.019 0.02 . 1 . . . . 160 GLY HA3 . 15964 1 1608 . 1 1 145 145 GLY C C 13 174.426 0.5 . 1 . . . . 160 GLY C . 15964 1 1609 . 1 1 145 145 GLY CA C 13 45.649 0.5 . 1 . . . . 160 GLY CA . 15964 1 1610 . 1 1 145 145 GLY N N 15 112.389 0.5 . 1 . . . . 160 GLY N . 15964 1 1611 . 1 1 146 146 ASP H H 1 8.473 0.02 . 1 . . . . 161 ASP H . 15964 1 1612 . 1 1 146 146 ASP HA H 1 4.477 0.02 . 1 . . . . 161 ASP HA . 15964 1 1613 . 1 1 146 146 ASP HB2 H 1 2.625 0.02 . 1 . . . . 161 ASP HB2 . 15964 1 1614 . 1 1 146 146 ASP HB3 H 1 2.625 0.02 . 1 . . . . 161 ASP HB3 . 15964 1 1615 . 1 1 146 146 ASP C C 13 177.165 0.5 . 1 . . . . 161 ASP C . 15964 1 1616 . 1 1 146 146 ASP CA C 13 55.328 0.5 . 1 . . . . 161 ASP CA . 15964 1 1617 . 1 1 146 146 ASP CB C 13 41.162 0.5 . 1 . . . . 161 ASP CB . 15964 1 1618 . 1 1 146 146 ASP N N 15 121.21 0.5 . 1 . . . . 161 ASP N . 15964 1 1619 . 1 1 147 147 ALA H H 1 8.264 0.02 . 1 . . . . 162 ALA H . 15964 1 1620 . 1 1 147 147 ALA HA H 1 4.059 0.02 . 1 . . . . 162 ALA HA . 15964 1 1621 . 1 1 147 147 ALA HB1 H 1 1.199 0.02 . 1 . . . . 162 ALA HB . 15964 1 1622 . 1 1 147 147 ALA HB2 H 1 1.199 0.02 . 1 . . . . 162 ALA HB . 15964 1 1623 . 1 1 147 147 ALA HB3 H 1 1.199 0.02 . 1 . . . . 162 ALA HB . 15964 1 1624 . 1 1 147 147 ALA C C 13 178.198 0.5 . 1 . . . . 162 ALA C . 15964 1 1625 . 1 1 147 147 ALA CA C 13 53.855 0.5 . 1 . . . . 162 ALA CA . 15964 1 1626 . 1 1 147 147 ALA CB C 13 18.521 0.5 . 1 . . . . 162 ALA CB . 15964 1 1627 . 1 1 147 147 ALA N N 15 122.384 0.5 . 1 . . . . 162 ALA N . 15964 1 1628 . 1 1 148 148 PHE H H 1 7.866 0.02 . 1 . . . . 163 PHE H . 15964 1 1629 . 1 1 148 148 PHE HA H 1 4.537 0.02 . 1 . . . . 163 PHE HA . 15964 1 1630 . 1 1 148 148 PHE HB2 H 1 3.199 0.02 . 2 . . . . 163 PHE HB2 . 15964 1 1631 . 1 1 148 148 PHE HB3 H 1 3.059 0.02 . 2 . . . . 163 PHE HB3 . 15964 1 1632 . 1 1 148 148 PHE HD1 H 1 7.259 0.02 . 1 . . . . 163 PHE HD1 . 15964 1 1633 . 1 1 148 148 PHE HD2 H 1 7.259 0.02 . 1 . . . . 163 PHE HD2 . 15964 1 1634 . 1 1 148 148 PHE HE1 H 1 7.352 0.02 . 1 . . . . 163 PHE HE1 . 15964 1 1635 . 1 1 148 148 PHE HE2 H 1 7.352 0.02 . 1 . . . . 163 PHE HE2 . 15964 1 1636 . 1 1 148 148 PHE HZ H 1 7.286 0.02 . 1 . . . . 163 PHE HZ . 15964 1 1637 . 1 1 148 148 PHE C C 13 175.539 0.5 . 1 . . . . 163 PHE C . 15964 1 1638 . 1 1 148 148 PHE CA C 13 58.358 0.5 . 1 . . . . 163 PHE CA . 15964 1 1639 . 1 1 148 148 PHE CB C 13 39.245 0.5 . 1 . . . . 163 PHE CB . 15964 1 1640 . 1 1 148 148 PHE N N 15 116.337 0.5 . 1 . . . . 163 PHE N . 15964 1 1641 . 1 1 149 149 ARG H H 1 7.683 0.02 . 1 . . . . 164 ARG H . 15964 1 1642 . 1 1 149 149 ARG HA H 1 4.24 0.02 . 1 . . . . 164 ARG HA . 15964 1 1643 . 1 1 149 149 ARG HB2 H 1 1.751 0.02 . 1 . . . . 164 ARG HB2 . 15964 1 1644 . 1 1 149 149 ARG HB3 H 1 1.751 0.02 . 1 . . . . 164 ARG HB3 . 15964 1 1645 . 1 1 149 149 ARG HD2 H 1 3.167 0.02 . 1 . . . . 164 ARG HD2 . 15964 1 1646 . 1 1 149 149 ARG HD3 H 1 3.167 0.02 . 1 . . . . 164 ARG HD3 . 15964 1 1647 . 1 1 149 149 ARG HG2 H 1 1.515 0.02 . 1 . . . . 164 ARG HG2 . 15964 1 1648 . 1 1 149 149 ARG HG3 H 1 1.515 0.02 . 1 . . . . 164 ARG HG3 . 15964 1 1649 . 1 1 149 149 ARG CA C 13 55.667 0.5 . 1 . . . . 164 ARG CA . 15964 1 1650 . 1 1 149 149 ARG CB C 13 30.775 0.5 . 1 . . . . 164 ARG CB . 15964 1 1651 . 1 1 149 149 ARG CD C 13 43.272 0.5 . 1 . . . . 164 ARG CD . 15964 1 1652 . 1 1 149 149 ARG CG C 13 27.216 0.5 . 1 . . . . 164 ARG CG . 15964 1 1653 . 1 1 149 149 ARG N N 15 120.555 0.5 . 1 . . . . 164 ARG N . 15964 1 1654 . 1 1 150 150 LYS H H 1 8.085 0.02 . 1 . . . . 165 LYS H . 15964 1 1655 . 1 1 150 150 LYS HA H 1 4.155 0.02 . 5 . . . . 165 LYS HA . 15964 1 1656 . 1 1 150 150 LYS HB2 H 1 1.814 0.02 . 5 . . . . 165 LYS HB2 . 15964 1 1657 . 1 1 150 150 LYS HB3 H 1 1.705 0.02 . 5 . . . . 165 LYS HB3 . 15964 1 1658 . 1 1 150 150 LYS HD2 H 1 1.658 0.02 . 5 . . . . 165 LYS HD2 . 15964 1 1659 . 1 1 150 150 LYS HD3 H 1 1.658 0.02 . 5 . . . . 165 LYS HD3 . 15964 1 1660 . 1 1 150 150 LYS HE2 H 1 2.974 0.02 . 5 . . . . 165 LYS HE2 . 15964 1 1661 . 1 1 150 150 LYS HE3 H 1 2.974 0.02 . 5 . . . . 165 LYS HE3 . 15964 1 1662 . 1 1 150 150 LYS HG2 H 1 1.396 0.02 . 5 . . . . 165 LYS HG2 . 15964 1 1663 . 1 1 150 150 LYS HG3 H 1 1.396 0.02 . 5 . . . . 165 LYS HG3 . 15964 1 1664 . 1 1 150 150 LYS CA C 13 57.616 0.5 . 5 . . . . 165 LYS CA . 15964 1 1665 . 1 1 150 150 LYS CB C 13 33.533 0.5 . 5 . . . . 165 LYS CB . 15964 1 1666 . 1 1 150 150 LYS CD C 13 28.475 0.5 . 5 . . . . 165 LYS CD . 15964 1 1667 . 1 1 150 150 LYS CE C 13 41.932 0.5 . 5 . . . . 165 LYS CE . 15964 1 1668 . 1 1 150 150 LYS CG C 13 24.758 0.5 . 5 . . . . 165 LYS CG . 15964 1 1669 . 1 1 150 150 LYS N N 15 121.349 0.5 . 1 . . . . 165 LYS N . 15964 1 1670 . 1 1 151 151 LYS H H 1 8.131 0.02 . 1 . . . . 166 LYS H . 15964 1 1671 . 1 1 151 151 LYS HA H 1 4.155 0.02 . 5 . . . . 166 LYS HA . 15964 1 1672 . 1 1 151 151 LYS HB2 H 1 1.814 0.02 . 5 . . . . 166 LYS HB2 . 15964 1 1673 . 1 1 151 151 LYS HB3 H 1 1.705 0.02 . 5 . . . . 166 LYS HB3 . 15964 1 1674 . 1 1 151 151 LYS HD2 H 1 1.658 0.02 . 5 . . . . 166 LYS HD2 . 15964 1 1675 . 1 1 151 151 LYS HD3 H 1 1.658 0.02 . 5 . . . . 166 LYS HD3 . 15964 1 1676 . 1 1 151 151 LYS HE2 H 1 2.974 0.02 . 5 . . . . 166 LYS HE2 . 15964 1 1677 . 1 1 151 151 LYS HE3 H 1 2.974 0.02 . 5 . . . . 166 LYS HE3 . 15964 1 1678 . 1 1 151 151 LYS HG2 H 1 1.396 0.02 . 5 . . . . 166 LYS HG2 . 15964 1 1679 . 1 1 151 151 LYS HG3 H 1 1.396 0.02 . 5 . . . . 166 LYS HG3 . 15964 1 1680 . 1 1 151 151 LYS C C 13 179.824 0.5 . 1 . . . . 166 LYS C . 15964 1 1681 . 1 1 151 151 LYS CA C 13 57.616 0.5 . 5 . . . . 166 LYS CA . 15964 1 1682 . 1 1 151 151 LYS CB C 13 33.533 0.5 . 5 . . . . 166 LYS CB . 15964 1 1683 . 1 1 151 151 LYS CD C 13 28.475 0.5 . 5 . . . . 166 LYS CD . 15964 1 1684 . 1 1 151 151 LYS CE C 13 41.932 0.5 . 5 . . . . 166 LYS CE . 15964 1 1685 . 1 1 151 151 LYS CG C 13 24.758 0.5 . 5 . . . . 166 LYS CG . 15964 1 1686 . 1 1 151 151 LYS N N 15 122.064 0.5 . 1 . . . . 166 LYS N . 15964 1 1687 . 1 1 152 152 HIS H H 1 8.397 0.02 . 1 . . . . 167 HIS H . 15964 1 1688 . 1 1 152 152 HIS HA H 1 4.575 0.02 . 1 . . . . 167 HIS HA . 15964 1 1689 . 1 1 152 152 HIS HB2 H 1 3.069 0.02 . 2 . . . . 167 HIS HB2 . 15964 1 1690 . 1 1 152 152 HIS HB3 H 1 3.01 0.02 . 2 . . . . 167 HIS HB3 . 15964 1 1691 . 1 1 152 152 HIS HD2 H 1 6.97 0.02 . 1 . . . . 167 HIS HD2 . 15964 1 1692 . 1 1 152 152 HIS HE1 H 1 7.99 0.02 . 1 . . . . 167 HIS HE1 . 15964 1 1693 . 1 1 152 152 HIS C C 13 175.498 0.5 . 1 . . . . 167 HIS C . 15964 1 1694 . 1 1 152 152 HIS CA C 13 56.015 0.5 . 1 . . . . 167 HIS CA . 15964 1 1695 . 1 1 152 152 HIS CB C 13 30.549 0.5 . 1 . . . . 167 HIS CB . 15964 1 1696 . 1 1 152 152 HIS N N 15 120.039 0.5 . 1 . . . . 167 HIS N . 15964 1 1697 . 1 1 153 153 LEU H H 1 8.24 0.02 . 1 . . . . 168 LEU H . 15964 1 1698 . 1 1 153 153 LEU HA H 1 4.339 0.02 . 1 . . . . 168 LEU HA . 15964 1 1699 . 1 1 153 153 LEU HB2 H 1 1.597 0.02 . 1 . . . . 168 LEU HB2 . 15964 1 1700 . 1 1 153 153 LEU HB3 H 1 1.597 0.02 . 1 . . . . 168 LEU HB3 . 15964 1 1701 . 1 1 153 153 LEU HD11 H 1 0.888 0.02 . 2 . . . . 168 LEU HD1 . 15964 1 1702 . 1 1 153 153 LEU HD12 H 1 0.888 0.02 . 2 . . . . 168 LEU HD1 . 15964 1 1703 . 1 1 153 153 LEU HD13 H 1 0.888 0.02 . 2 . . . . 168 LEU HD1 . 15964 1 1704 . 1 1 153 153 LEU HD21 H 1 0.834 0.02 . 2 . . . . 168 LEU HD2 . 15964 1 1705 . 1 1 153 153 LEU HD22 H 1 0.834 0.02 . 2 . . . . 168 LEU HD2 . 15964 1 1706 . 1 1 153 153 LEU HD23 H 1 0.834 0.02 . 2 . . . . 168 LEU HD2 . 15964 1 1707 . 1 1 153 153 LEU HG H 1 1.472 0.02 . 1 . . . . 168 LEU HG . 15964 1 1708 . 1 1 153 153 LEU C C 13 175.236 0.5 . 1 . . . . 168 LEU C . 15964 1 1709 . 1 1 153 153 LEU CA C 13 55.02 0.5 . 1 . . . . 168 LEU CA . 15964 1 1710 . 1 1 153 153 LEU CB C 13 42.359 0.5 . 1 . . . . 168 LEU CB . 15964 1 1711 . 1 1 153 153 LEU CD1 C 13 24.948 0.5 . 2 . . . . 168 LEU CD1 . 15964 1 1712 . 1 1 153 153 LEU CD2 C 13 23.285 0.5 . 2 . . . . 168 LEU CD2 . 15964 1 1713 . 1 1 153 153 LEU CG C 13 26.779 0.5 . 1 . . . . 168 LEU CG . 15964 1 1714 . 1 1 153 153 LEU N N 15 123.747 0.5 . 1 . . . . 168 LEU N . 15964 1 1715 . 1 1 154 154 GLU H H 1 8.503 0.02 . 1 . . . . 169 GLU H . 15964 1 1716 . 1 1 154 154 GLU HA H 1 4.18 0.02 . 1 . . . . 169 GLU HA . 15964 1 1717 . 1 1 154 154 GLU HB2 H 1 1.921 0.02 . 1 . . . . 169 GLU HB2 . 15964 1 1718 . 1 1 154 154 GLU HB3 H 1 1.921 0.02 . 1 . . . . 169 GLU HB3 . 15964 1 1719 . 1 1 154 154 GLU HG2 H 1 2.271 0.02 . 1 . . . . 169 GLU HG2 . 15964 1 1720 . 1 1 154 154 GLU HG3 H 1 2.271 0.02 . 1 . . . . 169 GLU HG3 . 15964 1 1721 . 1 1 154 154 GLU C C 13 176.369 0.5 . 1 . . . . 169 GLU C . 15964 1 1722 . 1 1 154 154 GLU CA C 13 57.05 0.5 . 1 . . . . 169 GLU CA . 15964 1 1723 . 1 1 154 154 GLU CB C 13 30.153 0.5 . 1 . . . . 169 GLU CB . 15964 1 1724 . 1 1 154 154 GLU CG C 13 36.057 0.5 . 1 . . . . 169 GLU CG . 15964 1 1725 . 1 1 154 154 GLU N N 15 120.306 0.5 . 1 . . . . 169 GLU N . 15964 1 1726 . 1 1 155 155 ASP H H 1 8.159 0.02 . 1 . . . . 170 ASP H . 15964 1 1727 . 1 1 155 155 ASP HA H 1 4.55 0.02 . 1 . . . . 170 ASP HA . 15964 1 1728 . 1 1 155 155 ASP HB2 H 1 2.625 0.02 . 2 . . . . 170 ASP HB2 . 15964 1 1729 . 1 1 155 155 ASP HB3 H 1 2.559 0.02 . 2 . . . . 170 ASP HB3 . 15964 1 1730 . 1 1 155 155 ASP CA C 13 54.638 0.5 . 1 . . . . 170 ASP CA . 15964 1 1731 . 1 1 155 155 ASP CB C 13 41.241 0.5 . 1 . . . . 170 ASP CB . 15964 1 1732 . 1 1 155 155 ASP N N 15 120.101 0.5 . 1 . . . . 170 ASP N . 15964 1 1733 . 1 1 156 156 GLU H H 1 8.124 0.02 . 1 . . . . 171 GLU H . 15964 1 1734 . 1 1 156 156 GLU HA H 1 4.312 0.02 . 1 . . . . 171 GLU HA . 15964 1 1735 . 1 1 156 156 GLU HB2 H 1 2.068 0.02 . 2 . . . . 171 GLU HB2 . 15964 1 1736 . 1 1 156 156 GLU HB3 H 1 1.937 0.02 . 2 . . . . 171 GLU HB3 . 15964 1 1737 . 1 1 156 156 GLU HG2 H 1 2.263 0.02 . 1 . . . . 171 GLU HG2 . 15964 1 1738 . 1 1 156 156 GLU HG3 H 1 2.263 0.02 . 1 . . . . 171 GLU HG3 . 15964 1 1739 . 1 1 156 156 GLU C C 13 175.388 0.5 . 1 . . . . 171 GLU C . 15964 1 1740 . 1 1 156 156 GLU CA C 13 56.396 0.5 . 1 . . . . 171 GLU CA . 15964 1 1741 . 1 1 156 156 GLU CB C 13 30.314 0.5 . 1 . . . . 171 GLU CB . 15964 1 1742 . 1 1 156 156 GLU CG C 13 36.129 0.5 . 1 . . . . 171 GLU CG . 15964 1 1743 . 1 1 156 156 GLU N N 15 120.838 0.5 . 1 . . . . 171 GLU N . 15964 1 1744 . 1 1 157 157 LEU H H 1 7.82 0.02 . 1 . . . . 172 LEU H . 15964 1 1745 . 1 1 157 157 LEU HA H 1 4.182 0.02 . 1 . . . . 172 LEU HA . 15964 1 1746 . 1 1 157 157 LEU HB2 H 1 1.574 0.02 . 1 . . . . 172 LEU HB2 . 15964 1 1747 . 1 1 157 157 LEU HB3 H 1 1.574 0.02 . 1 . . . . 172 LEU HB3 . 15964 1 1748 . 1 1 157 157 LEU HD11 H 1 0.895 0.02 . 1 . . . . 172 LEU HD1 . 15964 1 1749 . 1 1 157 157 LEU HD12 H 1 0.895 0.02 . 1 . . . . 172 LEU HD1 . 15964 1 1750 . 1 1 157 157 LEU HD13 H 1 0.895 0.02 . 1 . . . . 172 LEU HD1 . 15964 1 1751 . 1 1 157 157 LEU HD21 H 1 0.895 0.02 . 1 . . . . 172 LEU HD2 . 15964 1 1752 . 1 1 157 157 LEU HD22 H 1 0.895 0.02 . 1 . . . . 172 LEU HD2 . 15964 1 1753 . 1 1 157 157 LEU HD23 H 1 0.895 0.02 . 1 . . . . 172 LEU HD2 . 15964 1 1754 . 1 1 157 157 LEU HG H 1 1.551 0.02 . 1 . . . . 172 LEU HG . 15964 1 1755 . 1 1 157 157 LEU CA C 13 56.663 0.5 . 1 . . . . 172 LEU CA . 15964 1 1756 . 1 1 157 157 LEU CB C 13 43.337 0.5 . 1 . . . . 172 LEU CB . 15964 1 1757 . 1 1 157 157 LEU CD1 C 13 25.082 0.5 . 1 . . . . 172 LEU CD1 . 15964 1 1758 . 1 1 157 157 LEU CD2 C 13 25.082 0.5 . 1 . . . . 172 LEU CD2 . 15964 1 1759 . 1 1 157 157 LEU CG C 13 27.313 0.5 . 1 . . . . 172 LEU CG . 15964 1 1760 . 1 1 157 157 LEU N N 15 128.92 0.5 . 1 . . . . 172 LEU N . 15964 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 61 15964 1 1 554 15964 1 2 70 15964 1 2 563 15964 1 3 72 15964 1 3 565 15964 1 4 73 15964 1 4 566 15964 1 5 76 15964 1 5 569 15964 1 6 265 15964 1 6 1503 15964 1 6 1655 15964 1 6 1671 15964 1 7 266 15964 1 7 267 15964 1 7 1504 15964 1 7 1656 15964 1 7 1657 15964 1 7 1672 15964 1 7 1673 15964 1 8 268 15964 1 8 269 15964 1 8 1505 15964 1 8 1658 15964 1 8 1659 15964 1 8 1674 15964 1 8 1675 15964 1 9 270 15964 1 9 271 15964 1 9 1506 15964 1 9 1507 15964 1 9 1660 15964 1 9 1661 15964 1 9 1676 15964 1 9 1677 15964 1 10 272 15964 1 10 273 15964 1 10 1508 15964 1 10 1509 15964 1 10 1662 15964 1 10 1663 15964 1 10 1678 15964 1 10 1679 15964 1 11 275 15964 1 11 1511 15964 1 11 1664 15964 1 11 1681 15964 1 12 276 15964 1 12 1512 15964 1 12 1665 15964 1 12 1682 15964 1 13 277 15964 1 13 1513 15964 1 13 1666 15964 1 13 1683 15964 1 14 278 15964 1 14 1514 15964 1 14 1667 15964 1 14 1684 15964 1 15 279 15964 1 15 1515 15964 1 15 1668 15964 1 15 1685 15964 1 16 555 15964 1 16 556 15964 1 17 557 15964 1 17 558 15964 1 17 559 15964 1 18 560 15964 1 18 561 15964 1 18 562 15964 1 19 567 15964 1 20 568 15964 1 stop_ save_