data_7107 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7107 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments for human Keratinocyte Fatty-acid binding protein with potent small molecule inhibitor (BMS-480404) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-11 _Entry.Accession_date 2006-05-11 _Entry.Last_release_date 2006-09-11 _Entry.Original_release_date 2006-09-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Patricia McDonnell . A. . 7107 2 Keith Constantine . C. . 7107 3 William Metzler . J. . 7107 4 Luciano Mueller . . . 7107 5 Bennett Farmer . T. . 7107 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7107 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 524 7107 '15N chemical shifts' 134 7107 '1H chemical shifts' 870 7107 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-09-11 2006-05-11 original author . 7107 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7107 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16884313 _Citation.Full_citation . _Citation.Title '1H,13C and 15N assigned chemical shifts for human keratinocyte fatty acid-binding protein with a small molecule inhibitor (BMS-480404)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 49 _Citation.Journal_issue 16 _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 5013 _Citation.Page_last 5017 _Citation.Year 2006 _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 Patricia McDonnell A. . . 7107 1 2 K. Constantine L. . . 7107 1 3 V. Goldfarb . . . 7107 1 4 S. Johnson R. . . 7107 1 5 R. Sulsky . . . 7107 1 6 D. Magnin R. . . 7107 1 7 J. Robl A. . . 7107 1 8 T. Caulfield J. . . 7107 1 9 R. Parker A. . . 7107 1 10 D. Taylor S. . . 7107 1 11 L. Adam P. . . 7107 1 12 W. Metzler J. . . 7107 1 13 L. Mueller . . . 7107 1 14 B. Farmer T. . . 7107 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7107 _Assembly.ID 1 _Assembly.Name kFABP _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein-inhibitor complex' 7107 1 stop_ 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 kFABP 1 $human_keratinocyte_fatty-acid_binding_protein . . yes native no no . . . 7107 1 2 BMS4 2 $BMS4 . . . . no no . . . 7107 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_keratinocyte_fatty-acid_binding_protein _Entity.Sf_category entity _Entity.Sf_framecode human_keratinocyte_fatty-acid_binding_protein _Entity.Entry_ID 7107 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human keratinocyte fatty-acid binding protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MATVQQLEGRWRLVDSKGFD EYMKELGVGIALRKMGAMAK PDCIITCDGKNLTIKTESTL KTTQFSCTLGEKFEETTADG RKTQTVCNFTDGALVQHQEW DGKESTITRKLKDGKLVVEC VMNNVTCTRIYEKVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID BMS4 _Entity.Nonpolymer_comp_label $BMS4 _Entity.Number_of_monomers 135 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 5083 . E-FABP . . . . . 100.00 135 100.00 100.00 1.25e-92 . . . . 7107 1 2 no PDB 1B56 . "Human Recombinant Epidermal Fatty Acid Binding Protein" . . . . . 100.00 135 100.00 100.00 1.25e-92 . . . . 7107 1 3 no PDB 1JJJ . "Solution Structure Of Recombinant Human Epidermal-Type Fatty Acid Binding Protein" . . . . . 100.00 135 100.00 100.00 1.25e-92 . . . . 7107 1 4 no PDB 4AZM . "Human Epidermal Fatty Acid-binding Protein (fabp5) In Complex With The Inhibitor Bms-309413" . . . . . 100.00 138 100.00 100.00 1.66e-92 . . . . 7107 1 5 no PDB 4AZR . "Human Epidermal Fatty Acid-binding Protein (fabp5) In Complex With The Endocannabinoid Anandamide" . . . . . 100.00 138 99.26 100.00 5.29e-92 . . . . 7107 1 6 no PDB 4LKP . "Crystal Structure Of Apo Human Epidermal Fatty Acid Binding Protein (fabp5)" . . . . . 100.00 138 100.00 100.00 8.09e-93 . . . . 7107 1 7 no PDB 4LKT . "Crystal Structure Of Human Epidermal Fatty Acid Binding Protein (fabp5) In Complex With Linoleic Acid" . . . . . 100.00 138 100.00 100.00 8.09e-93 . . . . 7107 1 8 no DBJ BAG34797 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.25e-92 . . . . 7107 1 9 no GB AAA58467 . "fatty acid binding protein homologue [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.25e-92 . . . . 7107 1 10 no GB AAH19385 . "Fatty acid binding protein 5 (psoriasis-associated) [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.25e-92 . . . . 7107 1 11 no GB AAH70303 . "Fatty acid binding protein 5 (psoriasis-associated) [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.25e-92 . . . . 7107 1 12 no GB AAP36117 . "fatty acid binding protein 5 (psoriasis-associated) [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.25e-92 . . . . 7107 1 13 no GB AAX41860 . "fatty acid binding protein 5 [synthetic construct]" . . . . . 100.00 135 100.00 100.00 1.25e-92 . . . . 7107 1 14 no REF NP_001247718 . "fatty acid-binding protein, epidermal [Macaca mulatta]" . . . . . 100.00 135 98.52 100.00 3.07e-91 . . . . 7107 1 15 no REF NP_001435 . "fatty acid-binding protein, epidermal [Homo sapiens]" . . . . . 100.00 135 100.00 100.00 1.25e-92 . . . . 7107 1 16 no REF XP_002819257 . "PREDICTED: fatty acid-binding protein, epidermal [Pongo abelii]" . . . . . 100.00 135 98.52 99.26 8.74e-92 . . . . 7107 1 17 no REF XP_003831319 . "PREDICTED: fatty acid-binding protein, epidermal [Pan paniscus]" . . . . . 100.00 135 100.00 100.00 1.25e-92 . . . . 7107 1 18 no REF XP_003902954 . "PREDICTED: fatty acid-binding protein, epidermal [Papio anubis]" . . . . . 100.00 135 98.52 100.00 3.07e-91 . . . . 7107 1 19 no SP Q01469 . "RecName: Full=Fatty acid-binding protein, epidermal; AltName: Full=Epidermal-type fatty acid-binding protein; Short=E-FABP; Alt" . . . . . 100.00 135 100.00 100.00 1.25e-92 . . . . 7107 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 -2 MET . 7107 1 2 -1 ALA . 7107 1 3 1 THR . 7107 1 4 2 VAL . 7107 1 5 3 GLN . 7107 1 6 4 GLN . 7107 1 7 5 LEU . 7107 1 8 6 GLU . 7107 1 9 7 GLY . 7107 1 10 8 ARG . 7107 1 11 9 TRP . 7107 1 12 10 ARG . 7107 1 13 11 LEU . 7107 1 14 12 VAL . 7107 1 15 13 ASP . 7107 1 16 14 SER . 7107 1 17 15 LYS . 7107 1 18 16 GLY . 7107 1 19 17 PHE . 7107 1 20 18 ASP . 7107 1 21 19 GLU . 7107 1 22 20 TYR . 7107 1 23 21 MET . 7107 1 24 22 LYS . 7107 1 25 23 GLU . 7107 1 26 24 LEU . 7107 1 27 25 GLY . 7107 1 28 26 VAL . 7107 1 29 27 GLY . 7107 1 30 28 ILE . 7107 1 31 29 ALA . 7107 1 32 30 LEU . 7107 1 33 31 ARG . 7107 1 34 32 LYS . 7107 1 35 33 MET . 7107 1 36 34 GLY . 7107 1 37 35 ALA . 7107 1 38 36 MET . 7107 1 39 37 ALA . 7107 1 40 38 LYS . 7107 1 41 39 PRO . 7107 1 42 40 ASP . 7107 1 43 41 CYS . 7107 1 44 42 ILE . 7107 1 45 43 ILE . 7107 1 46 44 THR . 7107 1 47 45 CYS . 7107 1 48 46 ASP . 7107 1 49 47 GLY . 7107 1 50 48 LYS . 7107 1 51 49 ASN . 7107 1 52 50 LEU . 7107 1 53 51 THR . 7107 1 54 52 ILE . 7107 1 55 53 LYS . 7107 1 56 54 THR . 7107 1 57 55 GLU . 7107 1 58 56 SER . 7107 1 59 57 THR . 7107 1 60 58 LEU . 7107 1 61 59 LYS . 7107 1 62 60 THR . 7107 1 63 61 THR . 7107 1 64 62 GLN . 7107 1 65 63 PHE . 7107 1 66 64 SER . 7107 1 67 65 CYS . 7107 1 68 66 THR . 7107 1 69 67 LEU . 7107 1 70 68 GLY . 7107 1 71 69 GLU . 7107 1 72 70 LYS . 7107 1 73 71 PHE . 7107 1 74 72 GLU . 7107 1 75 73 GLU . 7107 1 76 74 THR . 7107 1 77 75 THR . 7107 1 78 76 ALA . 7107 1 79 77 ASP . 7107 1 80 78 GLY . 7107 1 81 79 ARG . 7107 1 82 80 LYS . 7107 1 83 81 THR . 7107 1 84 82 GLN . 7107 1 85 83 THR . 7107 1 86 84 VAL . 7107 1 87 85 CYS . 7107 1 88 86 ASN . 7107 1 89 87 PHE . 7107 1 90 88 THR . 7107 1 91 89 ASP . 7107 1 92 90 GLY . 7107 1 93 91 ALA . 7107 1 94 92 LEU . 7107 1 95 93 VAL . 7107 1 96 94 GLN . 7107 1 97 95 HIS . 7107 1 98 96 GLN . 7107 1 99 97 GLU . 7107 1 100 98 TRP . 7107 1 101 99 ASP . 7107 1 102 100 GLY . 7107 1 103 101 LYS . 7107 1 104 102 GLU . 7107 1 105 103 SER . 7107 1 106 104 THR . 7107 1 107 105 ILE . 7107 1 108 106 THR . 7107 1 109 107 ARG . 7107 1 110 108 LYS . 7107 1 111 109 LEU . 7107 1 112 110 LYS . 7107 1 113 111 ASP . 7107 1 114 112 GLY . 7107 1 115 113 LYS . 7107 1 116 114 LEU . 7107 1 117 115 VAL . 7107 1 118 116 VAL . 7107 1 119 117 GLU . 7107 1 120 118 CYS . 7107 1 121 119 VAL . 7107 1 122 120 MET . 7107 1 123 121 ASN . 7107 1 124 122 ASN . 7107 1 125 123 VAL . 7107 1 126 124 THR . 7107 1 127 125 CYS . 7107 1 128 126 THR . 7107 1 129 127 ARG . 7107 1 130 128 ILE . 7107 1 131 129 TYR . 7107 1 132 130 GLU . 7107 1 133 131 LYS . 7107 1 134 132 VAL . 7107 1 135 133 GLU . 7107 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 7107 1 . ALA 2 2 7107 1 . THR 3 3 7107 1 . VAL 4 4 7107 1 . GLN 5 5 7107 1 . GLN 6 6 7107 1 . LEU 7 7 7107 1 . GLU 8 8 7107 1 . GLY 9 9 7107 1 . ARG 10 10 7107 1 . TRP 11 11 7107 1 . ARG 12 12 7107 1 . LEU 13 13 7107 1 . VAL 14 14 7107 1 . ASP 15 15 7107 1 . SER 16 16 7107 1 . LYS 17 17 7107 1 . GLY 18 18 7107 1 . PHE 19 19 7107 1 . ASP 20 20 7107 1 . GLU 21 21 7107 1 . TYR 22 22 7107 1 . MET 23 23 7107 1 . LYS 24 24 7107 1 . GLU 25 25 7107 1 . LEU 26 26 7107 1 . GLY 27 27 7107 1 . VAL 28 28 7107 1 . GLY 29 29 7107 1 . ILE 30 30 7107 1 . ALA 31 31 7107 1 . LEU 32 32 7107 1 . ARG 33 33 7107 1 . LYS 34 34 7107 1 . MET 35 35 7107 1 . GLY 36 36 7107 1 . ALA 37 37 7107 1 . MET 38 38 7107 1 . ALA 39 39 7107 1 . LYS 40 40 7107 1 . PRO 41 41 7107 1 . ASP 42 42 7107 1 . CYS 43 43 7107 1 . ILE 44 44 7107 1 . ILE 45 45 7107 1 . THR 46 46 7107 1 . CYS 47 47 7107 1 . ASP 48 48 7107 1 . GLY 49 49 7107 1 . LYS 50 50 7107 1 . ASN 51 51 7107 1 . LEU 52 52 7107 1 . THR 53 53 7107 1 . ILE 54 54 7107 1 . LYS 55 55 7107 1 . THR 56 56 7107 1 . GLU 57 57 7107 1 . SER 58 58 7107 1 . THR 59 59 7107 1 . LEU 60 60 7107 1 . LYS 61 61 7107 1 . THR 62 62 7107 1 . THR 63 63 7107 1 . GLN 64 64 7107 1 . PHE 65 65 7107 1 . SER 66 66 7107 1 . CYS 67 67 7107 1 . THR 68 68 7107 1 . LEU 69 69 7107 1 . GLY 70 70 7107 1 . GLU 71 71 7107 1 . LYS 72 72 7107 1 . PHE 73 73 7107 1 . GLU 74 74 7107 1 . GLU 75 75 7107 1 . THR 76 76 7107 1 . THR 77 77 7107 1 . ALA 78 78 7107 1 . ASP 79 79 7107 1 . GLY 80 80 7107 1 . ARG 81 81 7107 1 . LYS 82 82 7107 1 . THR 83 83 7107 1 . GLN 84 84 7107 1 . THR 85 85 7107 1 . VAL 86 86 7107 1 . CYS 87 87 7107 1 . ASN 88 88 7107 1 . PHE 89 89 7107 1 . THR 90 90 7107 1 . ASP 91 91 7107 1 . GLY 92 92 7107 1 . ALA 93 93 7107 1 . LEU 94 94 7107 1 . VAL 95 95 7107 1 . GLN 96 96 7107 1 . HIS 97 97 7107 1 . GLN 98 98 7107 1 . GLU 99 99 7107 1 . TRP 100 100 7107 1 . ASP 101 101 7107 1 . GLY 102 102 7107 1 . LYS 103 103 7107 1 . GLU 104 104 7107 1 . SER 105 105 7107 1 . THR 106 106 7107 1 . ILE 107 107 7107 1 . THR 108 108 7107 1 . ARG 109 109 7107 1 . LYS 110 110 7107 1 . LEU 111 111 7107 1 . LYS 112 112 7107 1 . ASP 113 113 7107 1 . GLY 114 114 7107 1 . LYS 115 115 7107 1 . LEU 116 116 7107 1 . VAL 117 117 7107 1 . VAL 118 118 7107 1 . GLU 119 119 7107 1 . CYS 120 120 7107 1 . VAL 121 121 7107 1 . MET 122 122 7107 1 . ASN 123 123 7107 1 . ASN 124 124 7107 1 . VAL 125 125 7107 1 . THR 126 126 7107 1 . CYS 127 127 7107 1 . THR 128 128 7107 1 . ARG 129 129 7107 1 . ILE 130 130 7107 1 . TYR 131 131 7107 1 . GLU 132 132 7107 1 . LYS 133 133 7107 1 . VAL 134 134 7107 1 . GLU 135 135 7107 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 7107 _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 $human_keratinocyte_fatty-acid_binding_protein . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7107 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 7107 _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 $human_keratinocyte_fatty-acid_binding_protein . 'recombinant technology' . E.coli . . . . . . . . . . BL21 DE3 . . . . . . . . . . . . . . . 7107 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_BMS4 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode BMS4 _Chem_comp.Entry_ID 7107 _Chem_comp.ID BMS4 _Chem_comp.Provenance . _Chem_comp.Name BMS-480404 _Chem_comp.Type non-polymer _Chem_comp.BMRB_code BMS4 _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C22 H17 Cl2 O5' _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID BMS4 . 7107 BMS4 BMS-480404 . 7107 BMS4 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C10 . C10 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C11 . C11 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C12 . C12 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C13 . C13 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C14 . C14 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C15 . C15 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C16 . C16 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C17 . C17 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C18 . C18 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C19 . C19 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C2 . C2 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C20 . C20 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C21 . C21 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C22 . C22 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C3 . C3 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C4 . C4 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C5 . C5 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C6 . C6 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C7 . C7 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C8 . C8 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 C9 . C9 . . C . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 Cl1 . Cl1 . . Cl . . . O . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 Cl2 . Cl2 . . Cl . . . O . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 1H15 . 1H15 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 1H22 . 1H22 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 2H15 . 2H15 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 2H22 . 2H22 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H10 . H10 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H11 . H11 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H12 . H12 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H16 . H16 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H17 . H17 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H18 . H18 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H19 . H19 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H4 . H4 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H5 . H5 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H6 . H6 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H7 . H7 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H8 . H8 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 H9 . H9 . . H . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 O1 . O1 . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 O2 . O2 . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 O3 . O3 . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 O4 . O4 . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 O5 . O5 . . O . . . 0 . . . . . . . . . . . . . . . . . . . . . 7107 BMS4 stop_ loop_ _Atom_nomenclature.Atom_ID _Atom_nomenclature.Atom_name _Atom_nomenclature.Naming_system _Atom_nomenclature.Entry_ID _Atom_nomenclature.Comp_ID . C1 . 7107 BMS4 . C2 . 7107 BMS4 . C3 . 7107 BMS4 . C4 . 7107 BMS4 . C5 . 7107 BMS4 . C6 . 7107 BMS4 . C7 . 7107 BMS4 . C8 . 7107 BMS4 . C9 . 7107 BMS4 . C10 . 7107 BMS4 . C11 . 7107 BMS4 . C12 . 7107 BMS4 . C13 . 7107 BMS4 . C14 . 7107 BMS4 . C15 . 7107 BMS4 . C16 . 7107 BMS4 . C17 . 7107 BMS4 . C18 . 7107 BMS4 . C19 . 7107 BMS4 . C20 . 7107 BMS4 . C21 . 7107 BMS4 . C22 . 7107 BMS4 . O1 . 7107 BMS4 . O2 . 7107 BMS4 . O3 . 7107 BMS4 . O4 . 7107 BMS4 . O5 . 7107 BMS4 . Cl1 . 7107 BMS4 . Cl2 . 7107 BMS4 . H4 . 7107 BMS4 . H5 . 7107 BMS4 . H6 . 7107 BMS4 . H7 . 7107 BMS4 . H8 . 7107 BMS4 . H9 . 7107 BMS4 . H10 . 7107 BMS4 . H11 . 7107 BMS4 . H12 . 7107 BMS4 . 1H15 . 7107 BMS4 . 2H15 . 7107 BMS4 . H16 . 7107 BMS4 . H17 . 7107 BMS4 . H18 . 7107 BMS4 . H19 . 7107 BMS4 . 1H22 . 7107 BMS4 . 2H22 . 7107 BMS4 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C7 . . . . 7107 BMS4 2 . DOUB C1 C2 . . . . 7107 BMS4 3 . DOUB C1 C6 . . . . 7107 BMS4 4 . SING C2 O1 . . . . 7107 BMS4 5 . DOUB C2 C3 . . . . 7107 BMS4 6 . SING C3 O2 . . . . 7107 BMS4 7 . DOUB C3 C4 . . . . 7107 BMS4 8 . DOUB C4 C5 . . . . 7107 BMS4 9 . SING C4 H4 . . . . 7107 BMS4 10 . DOUB C5 C6 . . . . 7107 BMS4 11 . SING C5 H5 . . . . 7107 BMS4 12 . SING C6 H6 . . . . 7107 BMS4 13 . SING C7 O3 . . . . 7107 BMS4 14 . SING C7 C8 . . . . 7107 BMS4 15 . SING C7 H7 . . . . 7107 BMS4 16 . DOUB C8 O4 . . . . 7107 BMS4 17 . SING C8 O5 . . . . 7107 BMS4 18 . SING O3 H8 . . . . 7107 BMS4 19 . SING O1 C22 . . . . 7107 BMS4 20 . SING C22 1H22 . . . . 7107 BMS4 21 . SING C22 2H22 . . . . 7107 BMS4 22 . SING C22 C20 . . . . 7107 BMS4 23 . DOUB C20 C21 . . . . 7107 BMS4 24 . DOUB C20 C19 . . . . 7107 BMS4 25 . SING C21 Cl1 . . . . 7107 BMS4 26 . DOUB C21 C16 . . . . 7107 BMS4 27 . DOUB C16 C17 . . . . 7107 BMS4 28 . SING C16 H16 . . . . 7107 BMS4 29 . DOUB C17 C18 . . . . 7107 BMS4 30 . SING C17 H17 . . . . 7107 BMS4 31 . DOUB C18 C19 . . . . 7107 BMS4 32 . SING C18 H18 . . . . 7107 BMS4 33 . SING C19 H19 . . . . 7107 BMS4 34 . SING O2 C15 . . . . 7107 BMS4 35 . SING C15 1H15 . . . . 7107 BMS4 36 . SING C15 2H15 . . . . 7107 BMS4 37 . SING C15 C13 . . . . 7107 BMS4 38 . DOUB C13 C12 . . . . 7107 BMS4 39 . DOUB C13 C14 . . . . 7107 BMS4 40 . DOUB C12 C11 . . . . 7107 BMS4 41 . SING C12 H12 . . . . 7107 BMS4 42 . DOUB C11 C10 . . . . 7107 BMS4 43 . SING C11 H11 . . . . 7107 BMS4 44 . DOUB C10 C9 . . . . 7107 BMS4 45 . SING C10 H10 . . . . 7107 BMS4 46 . DOUB C9 C14 . . . . 7107 BMS4 47 . SING C9 H9 . . . . 7107 BMS4 48 . SING C14 Cl2 . . . . 7107 BMS4 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7107 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'human keratinocyte fatty-acid binding protein' '[U-13C; U-15N]' . . 1 $human_keratinocyte_fatty-acid_binding_protein . . 1.4 . . mM . . . . 7107 1 2 BMS4 . . . 2 $BMS4 . . . . . mM . . . . 7107 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7107 _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 pH 7.5 0.1 pH 7107 1 temperature 293 . K 7107 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 7107 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance {1H,15N,13C} probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 597.76 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7107 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 3 HNCAHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 4 HNCB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 5 HNHB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 6 HBHACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 7 CBCACONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 8 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 9 4D(CN)NOE no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 10 4D(CC)NOE no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 11 CH-HCQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 12 '3D 13C edited 13C/15N filtered HSQC-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 13 '2D F1' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 14 'F2-13C/15N filtered NOE' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 15 '2D 13C/15N double reverse filtered TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 7107 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7107 _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 . external indirect 0.25144952 . . . 1 $entry_citation . . 1 $entry_citation 7107 1 H 1 DSS 'methyl protons' . . . . ppm . internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7107 1 N 15 DSS 'methyl protons' . . . . ppm . external indirect 0.10132905 . . . 1 $entry_citation . . 1 $entry_citation 7107 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7107 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 $sample_1 isotropic 7107 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 3 3 THR HA H 1 4.569 0.03 . 1 . . . . 1 THR HA . 7107 1 2 . 1 1 3 3 THR HB H 1 4.455 0.03 . 1 . . . . 1 THR HB . 7107 1 3 . 1 1 3 3 THR HG21 H 1 1.202 0.03 . 1 . . . . 1 THR HG2 . 7107 1 4 . 1 1 3 3 THR HG22 H 1 1.202 0.03 . 1 . . . . 1 THR HG2 . 7107 1 5 . 1 1 3 3 THR HG23 H 1 1.202 0.03 . 1 . . . . 1 THR HG2 . 7107 1 6 . 1 1 3 3 THR C C 13 175.700 0.4 . 1 . . . . 1 THR C . 7107 1 7 . 1 1 3 3 THR CA C 13 59.624 0.4 . 1 . . . . 1 THR CA . 7107 1 8 . 1 1 3 3 THR CB C 13 71.836 0.4 . 1 . . . . 1 THR CB . 7107 1 9 . 1 1 3 3 THR CG2 C 13 21.874 0.4 . 1 . . . . 1 THR CG2 . 7107 1 10 . 1 1 4 4 VAL H H 1 8.197 0.03 . 1 . . . . 2 VAL H . 7107 1 11 . 1 1 4 4 VAL HA H 1 3.120 0.03 . 1 . . . . 2 VAL HA . 7107 1 12 . 1 1 4 4 VAL HB H 1 1.064 0.03 . 1 . . . . 2 VAL HB . 7107 1 13 . 1 1 4 4 VAL HG11 H 1 0.788 0.03 . 2 . . . . 2 VAL HG1 . 7107 1 14 . 1 1 4 4 VAL HG12 H 1 0.788 0.03 . 2 . . . . 2 VAL HG1 . 7107 1 15 . 1 1 4 4 VAL HG13 H 1 0.788 0.03 . 2 . . . . 2 VAL HG1 . 7107 1 16 . 1 1 4 4 VAL HG21 H 1 0.641 0.03 . 2 . . . . 2 VAL HG2 . 7107 1 17 . 1 1 4 4 VAL HG22 H 1 0.641 0.03 . 2 . . . . 2 VAL HG2 . 7107 1 18 . 1 1 4 4 VAL HG23 H 1 0.641 0.03 . 2 . . . . 2 VAL HG2 . 7107 1 19 . 1 1 4 4 VAL C C 13 175.700 0.4 . 1 . . . . 2 VAL C . 7107 1 20 . 1 1 4 4 VAL CA C 13 64.10 0.4 . 1 . . . . 2 VAL CA . 7107 1 21 . 1 1 4 4 VAL CB C 13 30.962 0.4 . 1 . . . . 2 VAL CB . 7107 1 22 . 1 1 4 4 VAL CG1 C 13 22.139 0.4 . 2 . . . . 2 VAL CG1 . 7107 1 23 . 1 1 4 4 VAL CG2 C 13 20.095 0.4 . 2 . . . . 2 VAL CG2 . 7107 1 24 . 1 1 4 4 VAL N N 15 123.100 0.4 . 1 . . . . 2 VAL N . 7107 1 25 . 1 1 5 5 GLN H H 1 8.132 0.03 . 1 . . . . 3 GLN H . 7107 1 26 . 1 1 5 5 GLN HA H 1 3.957 0.03 . 1 . . . . 3 GLN HA . 7107 1 27 . 1 1 5 5 GLN HB2 H 1 1.940 0.03 . 2 . . . . 3 GLN HB2 . 7107 1 28 . 1 1 5 5 GLN HB3 H 1 2.079 0.03 . 2 . . . . 3 GLN HB3 . 7107 1 29 . 1 1 5 5 GLN HG2 H 1 2.301 0.03 . 2 . . . . 3 GLN HG2 . 7107 1 30 . 1 1 5 5 GLN HG3 H 1 2.644 0.03 . 2 . . . . 3 GLN HG3 . 7107 1 31 . 1 1 5 5 GLN HE21 H 1 7.492 0.03 . 1 . . . . 3 GLN HE21 . 7107 1 32 . 1 1 5 5 GLN HE22 H 1 6.754 0.03 . 1 . . . . 3 GLN HE22 . 7107 1 33 . 1 1 5 5 GLN C C 13 178.600 0.4 . 1 . . . . 3 GLN C . 7107 1 34 . 1 1 5 5 GLN CA C 13 59.44 0.4 . 1 . . . . 3 GLN CA . 7107 1 35 . 1 1 5 5 GLN CB C 13 27.528 0.4 . 1 . . . . 3 GLN CB . 7107 1 36 . 1 1 5 5 GLN CG C 13 35.160 0.4 . 1 . . . . 3 GLN CG . 7107 1 37 . 1 1 5 5 GLN N N 15 119.100 0.4 . 1 . . . . 3 GLN N . 7107 1 38 . 1 1 5 5 GLN NE2 N 15 111.300 0.4 . 1 . . . . 3 GLN NE2 . 7107 1 39 . 1 1 6 6 GLN H H 1 7.500 0.03 . 1 . . . . 4 GLN H . 7107 1 40 . 1 1 6 6 GLN HA H 1 4.182 0.03 . 1 . . . . 4 GLN HA . 7107 1 41 . 1 1 6 6 GLN HB2 H 1 2.211 0.03 . 2 . . . . 4 GLN HB2 . 7107 1 42 . 1 1 6 6 GLN HB3 H 1 2.292 0.03 . 2 . . . . 4 GLN HB3 . 7107 1 43 . 1 1 6 6 GLN HG2 H 1 2.474 0.03 . 2 . . . . 4 GLN HG2 . 7107 1 44 . 1 1 6 6 GLN HG3 H 1 2.547 0.03 . 2 . . . . 4 GLN HG3 . 7107 1 45 . 1 1 6 6 GLN HE21 H 1 7.666 0.03 . 1 . . . . 4 GLN HE21 . 7107 1 46 . 1 1 6 6 GLN HE22 H 1 7.037 0.03 . 1 . . . . 4 GLN HE22 . 7107 1 47 . 1 1 6 6 GLN C C 13 176.400 0.4 . 1 . . . . 4 GLN C . 7107 1 48 . 1 1 6 6 GLN CA C 13 57.941 0.4 . 1 . . . . 4 GLN CA . 7107 1 49 . 1 1 6 6 GLN CB C 13 29.152 0.4 . 1 . . . . 4 GLN CB . 7107 1 50 . 1 1 6 6 GLN CG C 13 35.057 0.4 . 1 . . . . 4 GLN CG . 7107 1 51 . 1 1 6 6 GLN N N 15 116.800 0.4 . 1 . . . . 4 GLN N . 7107 1 52 . 1 1 6 6 GLN NE2 N 15 112.400 0.4 . 1 . . . . 4 GLN NE2 . 7107 1 53 . 1 1 7 7 LEU H H 1 7.676 0.03 . 1 . . . . 5 LEU H . 7107 1 54 . 1 1 7 7 LEU HA H 1 4.327 0.03 . 1 . . . . 5 LEU HA . 7107 1 55 . 1 1 7 7 LEU HB2 H 1 1.490 0.03 . 2 . . . . 5 LEU HB2 . 7107 1 56 . 1 1 7 7 LEU HB3 H 1 1.756 0.03 . 2 . . . . 5 LEU HB3 . 7107 1 57 . 1 1 7 7 LEU HG H 1 1.652 0.03 . 1 . . . . 5 LEU HG . 7107 1 58 . 1 1 7 7 LEU HD11 H 1 0.895 0.03 . 1 . . . . 5 LEU HD1 . 7107 1 59 . 1 1 7 7 LEU HD12 H 1 0.895 0.03 . 1 . . . . 5 LEU HD1 . 7107 1 60 . 1 1 7 7 LEU HD13 H 1 0.895 0.03 . 1 . . . . 5 LEU HD1 . 7107 1 61 . 1 1 7 7 LEU HD21 H 1 0.607 0.03 . 1 . . . . 5 LEU HD2 . 7107 1 62 . 1 1 7 7 LEU HD22 H 1 0.607 0.03 . 1 . . . . 5 LEU HD2 . 7107 1 63 . 1 1 7 7 LEU HD23 H 1 0.607 0.03 . 1 . . . . 5 LEU HD2 . 7107 1 64 . 1 1 7 7 LEU C C 13 176.200 0.4 . 1 . . . . 5 LEU C . 7107 1 65 . 1 1 7 7 LEU CA C 13 55.758 0.4 . 1 . . . . 5 LEU CA . 7107 1 66 . 1 1 7 7 LEU CB C 13 41.700 0.4 . 1 . . . . 5 LEU CB . 7107 1 67 . 1 1 7 7 LEU CG C 13 27.987 0.4 . 1 . . . . 5 LEU CG . 7107 1 68 . 1 1 7 7 LEU CD1 C 13 26.812 0.4 . 1 . . . . 5 LEU CD1 . 7107 1 69 . 1 1 7 7 LEU CD2 C 13 23.609 0.4 . 1 . . . . 5 LEU CD2 . 7107 1 70 . 1 1 7 7 LEU N N 15 116.400 0.4 . 1 . . . . 5 LEU N . 7107 1 71 . 1 1 8 8 GLU H H 1 7.222 0.03 . 1 . . . . 6 GLU H . 7107 1 72 . 1 1 8 8 GLU HA H 1 4.041 0.03 . 1 . . . . 6 GLU HA . 7107 1 73 . 1 1 8 8 GLU HB2 H 1 2.051 0.03 . 2 . . . . 6 GLU HB2 . 7107 1 74 . 1 1 8 8 GLU HB3 H 1 2.206 0.03 . 2 . . . . 6 GLU HB3 . 7107 1 75 . 1 1 8 8 GLU HG2 H 1 2.036 0.03 . 2 . . . . 6 GLU HG2 . 7107 1 76 . 1 1 8 8 GLU HG3 H 1 2.803 0.03 . 2 . . . . 6 GLU HG3 . 7107 1 77 . 1 1 8 8 GLU C C 13 176.500 0.4 . 1 . . . . 6 GLU C . 7107 1 78 . 1 1 8 8 GLU CA C 13 58.236 0.4 . 1 . . . . 6 GLU CA . 7107 1 79 . 1 1 8 8 GLU CB C 13 31.113 0.4 . 1 . . . . 6 GLU CB . 7107 1 80 . 1 1 8 8 GLU CG C 13 38.204 0.4 . 1 . . . . 6 GLU CG . 7107 1 81 . 1 1 8 8 GLU N N 15 115.300 0.4 . 1 . . . . 6 GLU N . 7107 1 82 . 1 1 9 9 GLY H H 1 8.689 0.03 . 1 . . . . 7 GLY H . 7107 1 83 . 1 1 9 9 GLY HA2 H 1 3.680 0.03 . 2 . . . . 7 GLY HA2 . 7107 1 84 . 1 1 9 9 GLY HA3 H 1 4.030 0.03 . 2 . . . . 7 GLY HA3 . 7107 1 85 . 1 1 9 9 GLY C C 13 170.300 0.4 . 1 . . . . 7 GLY C . 7107 1 86 . 1 1 9 9 GLY CA C 13 43.800 0.4 . 1 . . . . 7 GLY CA . 7107 1 87 . 1 1 9 9 GLY N N 15 109.900 0.4 . 1 . . . . 7 GLY N . 7107 1 88 . 1 1 10 10 ARG H H 1 8.220 0.03 . 1 . . . . 8 ARG H . 7107 1 89 . 1 1 10 10 ARG HA H 1 4.933 0.03 . 1 . . . . 8 ARG HA . 7107 1 90 . 1 1 10 10 ARG HB2 H 1 1.656 0.03 . 1 . . . . 8 ARG HB2 . 7107 1 91 . 1 1 10 10 ARG HB3 H 1 1.656 0.03 . 1 . . . . 8 ARG HB3 . 7107 1 92 . 1 1 10 10 ARG HD2 H 1 2.874 0.03 . 2 . . . . 8 ARG HD2 . 7107 1 93 . 1 1 10 10 ARG HD3 H 1 3.376 0.03 . 2 . . . . 8 ARG HD3 . 7107 1 94 . 1 1 10 10 ARG C C 13 173.400 0.4 . 1 . . . . 8 ARG C . 7107 1 95 . 1 1 10 10 ARG CA C 13 55.313 0.4 . 1 . . . . 8 ARG CA . 7107 1 96 . 1 1 10 10 ARG CB C 13 32.200 0.4 . 1 . . . . 8 ARG CB . 7107 1 97 . 1 1 10 10 ARG CD C 13 43.054 0.4 . 1 . . . . 8 ARG CD . 7107 1 98 . 1 1 10 10 ARG N N 15 119.800 0.4 . 1 . . . . 8 ARG N . 7107 1 99 . 1 1 11 11 TRP H H 1 9.298 0.03 . 1 . . . . 9 TRP H . 7107 1 100 . 1 1 11 11 TRP HA H 1 5.305 0.03 . 1 . . . . 9 TRP HA . 7107 1 101 . 1 1 11 11 TRP HB2 H 1 2.849 0.03 . 2 . . . . 9 TRP HB2 . 7107 1 102 . 1 1 11 11 TRP HB3 H 1 3.212 0.03 . 2 . . . . 9 TRP HB3 . 7107 1 103 . 1 1 11 11 TRP HD1 H 1 7.055 0.03 . 1 . . . . 9 TRP HD1 . 7107 1 104 . 1 1 11 11 TRP C C 13 175.200 0.4 . 1 . . . . 9 TRP C . 7107 1 105 . 1 1 11 11 TRP CA C 13 55.063 0.4 . 1 . . . . 9 TRP CA . 7107 1 106 . 1 1 11 11 TRP CB C 13 31.083 0.4 . 1 . . . . 9 TRP CB . 7107 1 107 . 1 1 11 11 TRP CD1 C 13 128.500 0.4 . 1 . . . . 9 TRP CD1 . 7107 1 108 . 1 1 11 11 TRP N N 15 128.200 0.4 . 1 . . . . 9 TRP N . 7107 1 109 . 1 1 12 12 ARG H H 1 10.228 0.03 . 1 . . . . 10 ARG H . 7107 1 110 . 1 1 12 12 ARG HA H 1 5.418 0.03 . 1 . . . . 10 ARG HA . 7107 1 111 . 1 1 12 12 ARG HB2 H 1 1.740 0.03 . 2 . . . . 10 ARG HB2 . 7107 1 112 . 1 1 12 12 ARG HB3 H 1 1.792 0.03 . 2 . . . . 10 ARG HB3 . 7107 1 113 . 1 1 12 12 ARG HG2 H 1 1.634 0.03 . 2 . . . . 10 ARG HG2 . 7107 1 114 . 1 1 12 12 ARG HG3 H 1 1.711 0.03 . 2 . . . . 10 ARG HG3 . 7107 1 115 . 1 1 12 12 ARG HD2 H 1 3.095 0.03 . 2 . . . . 10 ARG HD2 . 7107 1 116 . 1 1 12 12 ARG HD3 H 1 3.266 0.03 . 2 . . . . 10 ARG HD3 . 7107 1 117 . 1 1 12 12 ARG C C 13 176.200 0.4 . 1 . . . . 10 ARG C . 7107 1 118 . 1 1 12 12 ARG CA C 13 55.600 0.4 . 1 . . . . 10 ARG CA . 7107 1 119 . 1 1 12 12 ARG CB C 13 34.000 0.4 . 1 . . . . 10 ARG CB . 7107 1 120 . 1 1 12 12 ARG CD C 13 43.320 0.4 . 1 . . . . 10 ARG CD . 7107 1 121 . 1 1 12 12 ARG N N 15 126.000 0.4 . 1 . . . . 10 ARG N . 7107 1 122 . 1 1 13 13 LEU H H 1 7.883 0.03 . 1 . . . . 11 LEU H . 7107 1 123 . 1 1 13 13 LEU HA H 1 3.395 0.03 . 1 . . . . 11 LEU HA . 7107 1 124 . 1 1 13 13 LEU HB2 H 1 1.045 0.03 . 2 . . . . 11 LEU HB2 . 7107 1 125 . 1 1 13 13 LEU HB3 H 1 1.502 0.03 . 2 . . . . 11 LEU HB3 . 7107 1 126 . 1 1 13 13 LEU HG H 1 1.204 0.03 . 1 . . . . 11 LEU HG . 7107 1 127 . 1 1 13 13 LEU HD11 H 1 0.213 0.03 . 1 . . . . 11 LEU HD1 . 7107 1 128 . 1 1 13 13 LEU HD12 H 1 0.213 0.03 . 1 . . . . 11 LEU HD1 . 7107 1 129 . 1 1 13 13 LEU HD13 H 1 0.213 0.03 . 1 . . . . 11 LEU HD1 . 7107 1 130 . 1 1 13 13 LEU HD21 H 1 0.814 0.03 . 1 . . . . 11 LEU HD2 . 7107 1 131 . 1 1 13 13 LEU HD22 H 1 0.814 0.03 . 1 . . . . 11 LEU HD2 . 7107 1 132 . 1 1 13 13 LEU HD23 H 1 0.814 0.03 . 1 . . . . 11 LEU HD2 . 7107 1 133 . 1 1 13 13 LEU C C 13 178.200 0.4 . 1 . . . . 11 LEU C . 7107 1 134 . 1 1 13 13 LEU CA C 13 57.512 0.4 . 1 . . . . 11 LEU CA . 7107 1 135 . 1 1 13 13 LEU CB C 13 42.100 0.4 . 1 . . . . 11 LEU CB . 7107 1 136 . 1 1 13 13 LEU CD1 C 13 22.900 0.4 . 1 . . . . 11 LEU CD1 . 7107 1 137 . 1 1 13 13 LEU CD2 C 13 27.164 0.4 . 1 . . . . 11 LEU CD2 . 7107 1 138 . 1 1 13 13 LEU N N 15 129.000 0.4 . 1 . . . . 11 LEU N . 7107 1 139 . 1 1 14 14 VAL H H 1 9.403 0.03 . 1 . . . . 12 VAL H . 7107 1 140 . 1 1 14 14 VAL HA H 1 4.572 0.03 . 1 . . . . 12 VAL HA . 7107 1 141 . 1 1 14 14 VAL HB H 1 2.189 0.03 . 1 . . . . 12 VAL HB . 7107 1 142 . 1 1 14 14 VAL HG11 H 1 0.984 0.03 . 2 . . . . 12 VAL HG1 . 7107 1 143 . 1 1 14 14 VAL HG12 H 1 0.984 0.03 . 2 . . . . 12 VAL HG1 . 7107 1 144 . 1 1 14 14 VAL HG13 H 1 0.984 0.03 . 2 . . . . 12 VAL HG1 . 7107 1 145 . 1 1 14 14 VAL HG21 H 1 0.865 0.03 . 2 . . . . 12 VAL HG2 . 7107 1 146 . 1 1 14 14 VAL HG22 H 1 0.865 0.03 . 2 . . . . 12 VAL HG2 . 7107 1 147 . 1 1 14 14 VAL HG23 H 1 0.865 0.03 . 2 . . . . 12 VAL HG2 . 7107 1 148 . 1 1 14 14 VAL C C 13 175.700 0.4 . 1 . . . . 12 VAL C . 7107 1 149 . 1 1 14 14 VAL CA C 13 61.554 0.4 . 1 . . . . 12 VAL CA . 7107 1 150 . 1 1 14 14 VAL CB C 13 34.400 0.4 . 1 . . . . 12 VAL CB . 7107 1 151 . 1 1 14 14 VAL CG1 C 13 21.610 0.4 . 2 . . . . 12 VAL CG1 . 7107 1 152 . 1 1 14 14 VAL CG2 C 13 19.480 0.4 . 2 . . . . 12 VAL CG2 . 7107 1 153 . 1 1 14 14 VAL N N 15 120.000 0.4 . 1 . . . . 12 VAL N . 7107 1 154 . 1 1 15 15 ASP H H 1 7.729 0.03 . 1 . . . . 13 ASP H . 7107 1 155 . 1 1 15 15 ASP HA H 1 4.892 0.03 . 1 . . . . 13 ASP HA . 7107 1 156 . 1 1 15 15 ASP HB2 H 1 2.378 0.03 . 2 . . . . 13 ASP HB2 . 7107 1 157 . 1 1 15 15 ASP HB3 H 1 2.639 0.03 . 2 . . . . 13 ASP HB3 . 7107 1 158 . 1 1 15 15 ASP C C 13 173.800 0.4 . 1 . . . . 13 ASP C . 7107 1 159 . 1 1 15 15 ASP CA C 13 54.620 0.4 . 1 . . . . 13 ASP CA . 7107 1 160 . 1 1 15 15 ASP CB C 13 45.176 0.4 . 1 . . . . 13 ASP CB . 7107 1 161 . 1 1 15 15 ASP N N 15 119.900 0.4 . 1 . . . . 13 ASP N . 7107 1 162 . 1 1 16 16 SER H H 1 8.235 0.03 . 1 . . . . 14 SER H . 7107 1 163 . 1 1 16 16 SER HA H 1 4.979 0.03 . 1 . . . . 14 SER HA . 7107 1 164 . 1 1 16 16 SER HB2 H 1 3.401 0.03 . 2 . . . . 14 SER HB2 . 7107 1 165 . 1 1 16 16 SER HB3 H 1 3.744 0.03 . 2 . . . . 14 SER HB3 . 7107 1 166 . 1 1 16 16 SER C C 13 173.000 0.4 . 1 . . . . 14 SER C . 7107 1 167 . 1 1 16 16 SER CA C 13 57.322 0.4 . 1 . . . . 14 SER CA . 7107 1 168 . 1 1 16 16 SER CB C 13 64.400 0.4 . 1 . . . . 14 SER CB . 7107 1 169 . 1 1 16 16 SER N N 15 116.400 0.4 . 1 . . . . 14 SER N . 7107 1 170 . 1 1 17 17 LYS H H 1 9.007 0.03 . 1 . . . . 15 LYS H . 7107 1 171 . 1 1 17 17 LYS HA H 1 4.886 0.03 . 1 . . . . 15 LYS HA . 7107 1 172 . 1 1 17 17 LYS HB2 H 1 1.891 0.03 . 1 . . . . 15 LYS HB2 . 7107 1 173 . 1 1 17 17 LYS HB3 H 1 1.891 0.03 . 1 . . . . 15 LYS HB3 . 7107 1 174 . 1 1 17 17 LYS HG2 H 1 1.478 0.03 . 2 . . . . 15 LYS HG2 . 7107 1 175 . 1 1 17 17 LYS HG3 H 1 1.502 0.03 . 2 . . . . 15 LYS HG3 . 7107 1 176 . 1 1 17 17 LYS HD2 H 1 1.717 0.03 . 2 . . . . 15 LYS HD2 . 7107 1 177 . 1 1 17 17 LYS HD3 H 1 1.774 0.03 . 2 . . . . 15 LYS HD3 . 7107 1 178 . 1 1 17 17 LYS HE2 H 1 3.047 0.03 . 1 . . . . 15 LYS HE2 . 7107 1 179 . 1 1 17 17 LYS HE3 H 1 3.047 0.03 . 1 . . . . 15 LYS HE3 . 7107 1 180 . 1 1 17 17 LYS CA C 13 55.568 0.4 . 1 . . . . 15 LYS CA . 7107 1 181 . 1 1 17 17 LYS CB C 13 35.562 0.4 . 1 . . . . 15 LYS CB . 7107 1 182 . 1 1 17 17 LYS CG C 13 24.842 0.4 . 1 . . . . 15 LYS CG . 7107 1 183 . 1 1 17 17 LYS CE C 13 42.260 0.4 . 1 . . . . 15 LYS CE . 7107 1 184 . 1 1 17 17 LYS N N 15 129.200 0.4 . 1 . . . . 15 LYS N . 7107 1 185 . 1 1 18 18 GLY HA2 H 1 4.300 0.03 . 1 . . . . 16 GLY HA2 . 7107 1 186 . 1 1 18 18 GLY HA3 H 1 4.300 0.03 . 1 . . . . 16 GLY HA3 . 7107 1 187 . 1 1 18 18 GLY C C 13 175.400 0.4 . 1 . . . . 16 GLY C . 7107 1 188 . 1 1 18 18 GLY CA C 13 46.400 0.4 . 1 . . . . 16 GLY CA . 7107 1 189 . 1 1 19 19 PHE H H 1 8.340 0.03 . 1 . . . . 17 PHE H . 7107 1 190 . 1 1 19 19 PHE HA H 1 4.815 0.03 . 1 . . . . 17 PHE HA . 7107 1 191 . 1 1 19 19 PHE HB2 H 1 2.916 0.03 . 2 . . . . 17 PHE HB2 . 7107 1 192 . 1 1 19 19 PHE HB3 H 1 3.049 0.03 . 2 . . . . 17 PHE HB3 . 7107 1 193 . 1 1 19 19 PHE HD1 H 1 7.257 0.03 . 1 . . . . 17 PHE HD1 . 7107 1 194 . 1 1 19 19 PHE HD2 H 1 7.257 0.03 . 1 . . . . 17 PHE HD2 . 7107 1 195 . 1 1 19 19 PHE CA C 13 59.704 0.4 . 1 . . . . 17 PHE CA . 7107 1 196 . 1 1 19 19 PHE CB C 13 39.493 0.4 . 1 . . . . 17 PHE CB . 7107 1 197 . 1 1 19 19 PHE N N 15 122.200 0.4 . 1 . . . . 17 PHE N . 7107 1 198 . 1 1 20 20 ASP H H 1 8.828 0.03 . 1 . . . . 18 ASP H . 7107 1 199 . 1 1 20 20 ASP HA H 1 4.100 0.03 . 1 . . . . 18 ASP HA . 7107 1 200 . 1 1 20 20 ASP HB2 H 1 2.477 0.03 . 2 . . . . 18 ASP HB2 . 7107 1 201 . 1 1 20 20 ASP HB3 H 1 2.592 0.03 . 2 . . . . 18 ASP HB3 . 7107 1 202 . 1 1 20 20 ASP C C 13 177.700 0.4 . 1 . . . . 18 ASP C . 7107 1 203 . 1 1 20 20 ASP CA C 13 58.543 0.4 . 1 . . . . 18 ASP CA . 7107 1 204 . 1 1 20 20 ASP CB C 13 41.718 0.4 . 1 . . . . 18 ASP CB . 7107 1 205 . 1 1 20 20 ASP N N 15 118.900 0.4 . 1 . . . . 18 ASP N . 7107 1 206 . 1 1 21 21 GLU H H 1 8.976 0.03 . 1 . . . . 19 GLU H . 7107 1 207 . 1 1 21 21 GLU HA H 1 3.783 0.03 . 1 . . . . 19 GLU HA . 7107 1 208 . 1 1 21 21 GLU HB2 H 1 1.916 0.03 . 2 . . . . 19 GLU HB2 . 7107 1 209 . 1 1 21 21 GLU HB3 H 1 2.222 0.03 . 2 . . . . 19 GLU HB3 . 7107 1 210 . 1 1 21 21 GLU C C 13 175.200 0.4 . 1 . . . . 19 GLU C . 7107 1 211 . 1 1 21 21 GLU CA C 13 60.96 0.4 . 1 . . . . 19 GLU CA . 7107 1 212 . 1 1 21 21 GLU CB C 13 27.995 0.4 . 1 . . . . 19 GLU CB . 7107 1 213 . 1 1 21 21 GLU N N 15 118.600 0.4 . 1 . . . . 19 GLU N . 7107 1 214 . 1 1 22 22 TYR H H 1 8.146 0.03 . 1 . . . . 20 TYR H . 7107 1 215 . 1 1 22 22 TYR HA H 1 4.054 0.03 . 1 . . . . 20 TYR HA . 7107 1 216 . 1 1 22 22 TYR HB2 H 1 2.898 0.03 . 2 . . . . 20 TYR HB2 . 7107 1 217 . 1 1 22 22 TYR HB3 H 1 3.106 0.03 . 2 . . . . 20 TYR HB3 . 7107 1 218 . 1 1 22 22 TYR HD1 H 1 6.810 0.03 . 1 . . . . 20 TYR HD1 . 7107 1 219 . 1 1 22 22 TYR HD2 H 1 6.810 0.03 . 1 . . . . 20 TYR HD2 . 7107 1 220 . 1 1 22 22 TYR HE1 H 1 6.570 0.03 . 1 . . . . 20 TYR HE1 . 7107 1 221 . 1 1 22 22 TYR HE2 H 1 6.570 0.03 . 1 . . . . 20 TYR HE2 . 7107 1 222 . 1 1 22 22 TYR C C 13 175.700 0.4 . 1 . . . . 20 TYR C . 7107 1 223 . 1 1 22 22 TYR CA C 13 49.616 0.4 . 1 . . . . 20 TYR CA . 7107 1 224 . 1 1 22 22 TYR CB C 13 39.163 0.4 . 1 . . . . 20 TYR CB . 7107 1 225 . 1 1 22 22 TYR CD1 C 13 132.700 0.4 . 1 . . . . 20 TYR CD1 . 7107 1 226 . 1 1 22 22 TYR CD2 C 13 132.700 0.4 . 1 . . . . 20 TYR CD2 . 7107 1 227 . 1 1 22 22 TYR N N 15 121.900 0.4 . 1 . . . . 20 TYR N . 7107 1 228 . 1 1 23 23 MET H H 1 8.308 0.03 . 1 . . . . 21 MET H . 7107 1 229 . 1 1 23 23 MET HA H 1 3.529 0.03 . 1 . . . . 21 MET HA . 7107 1 230 . 1 1 23 23 MET HB2 H 1 1.307 0.03 . 2 . . . . 21 MET HB2 . 7107 1 231 . 1 1 23 23 MET HB3 H 1 2.047 0.03 . 2 . . . . 21 MET HB3 . 7107 1 232 . 1 1 23 23 MET HG2 H 1 1.629 0.03 . 2 . . . . 21 MET HG2 . 7107 1 233 . 1 1 23 23 MET HG3 H 1 1.829 0.03 . 2 . . . . 21 MET HG3 . 7107 1 234 . 1 1 23 23 MET C C 13 178.400 0.4 . 1 . . . . 21 MET C . 7107 1 235 . 1 1 23 23 MET CA C 13 59.695 0.4 . 1 . . . . 21 MET CA . 7107 1 236 . 1 1 23 23 MET CB C 13 34.057 0.4 . 1 . . . . 21 MET CB . 7107 1 237 . 1 1 23 23 MET CG C 13 32.734 0.4 . 1 . . . . 21 MET CG . 7107 1 238 . 1 1 23 23 MET N N 15 116.700 0.4 . 1 . . . . 21 MET N . 7107 1 239 . 1 1 24 24 LYS H H 1 8.571 0.03 . 1 . . . . 22 LYS H . 7107 1 240 . 1 1 24 24 LYS HA H 1 3.861 0.03 . 1 . . . . 22 LYS HA . 7107 1 241 . 1 1 24 24 LYS HB2 H 1 1.718 0.03 . 2 . . . . 22 LYS HB2 . 7107 1 242 . 1 1 24 24 LYS HB3 H 1 1.918 0.03 . 2 . . . . 22 LYS HB3 . 7107 1 243 . 1 1 24 24 LYS HG2 H 1 1.255 0.03 . 2 . . . . 22 LYS HG2 . 7107 1 244 . 1 1 24 24 LYS HG3 H 1 1.462 0.03 . 2 . . . . 22 LYS HG3 . 7107 1 245 . 1 1 24 24 LYS HD2 H 1 1.620 0.03 . 1 . . . . 22 LYS HD2 . 7107 1 246 . 1 1 24 24 LYS HD3 H 1 1.620 0.03 . 1 . . . . 22 LYS HD3 . 7107 1 247 . 1 1 24 24 LYS HE2 H 1 2.915 0.03 . 1 . . . . 22 LYS HE2 . 7107 1 248 . 1 1 24 24 LYS HE3 H 1 2.915 0.03 . 1 . . . . 22 LYS HE3 . 7107 1 249 . 1 1 24 24 LYS CA C 13 60.308 0.4 . 1 . . . . 22 LYS CA . 7107 1 250 . 1 1 24 24 LYS CB C 13 32.148 0.4 . 1 . . . . 22 LYS CB . 7107 1 251 . 1 1 24 24 LYS CG C 13 25.470 0.4 . 1 . . . . 22 LYS CG . 7107 1 252 . 1 1 24 24 LYS CD C 13 29.678 0.4 . 1 . . . . 22 LYS CD . 7107 1 253 . 1 1 24 24 LYS CE C 13 41.829 0.4 . 1 . . . . 22 LYS CE . 7107 1 254 . 1 1 24 24 LYS N N 15 119.800 0.4 . 1 . . . . 22 LYS N . 7107 1 255 . 1 1 25 25 GLU H H 1 7.849 0.03 . 1 . . . . 23 GLU H . 7107 1 256 . 1 1 25 25 GLU HA H 1 3.965 0.03 . 1 . . . . 23 GLU HA . 7107 1 257 . 1 1 25 25 GLU HB2 H 1 2.090 0.03 . 1 . . . . 23 GLU HB2 . 7107 1 258 . 1 1 25 25 GLU HB3 H 1 2.090 0.03 . 1 . . . . 23 GLU HB3 . 7107 1 259 . 1 1 25 25 GLU HG2 H 1 2.476 0.03 . 1 . . . . 23 GLU HG2 . 7107 1 260 . 1 1 25 25 GLU HG3 H 1 2.476 0.03 . 1 . . . . 23 GLU HG3 . 7107 1 261 . 1 1 25 25 GLU C C 13 178.100 0.4 . 1 . . . . 23 GLU C . 7107 1 262 . 1 1 25 25 GLU CA C 13 58.706 0.4 . 1 . . . . 23 GLU CA . 7107 1 263 . 1 1 25 25 GLU CB C 13 28.846 0.4 . 1 . . . . 23 GLU CB . 7107 1 264 . 1 1 25 25 GLU CG C 13 34.990 0.4 . 1 . . . . 23 GLU CG . 7107 1 265 . 1 1 25 25 GLU N N 15 124.200 0.4 . 1 . . . . 23 GLU N . 7107 1 266 . 1 1 26 26 LEU H H 1 7.438 0.03 . 1 . . . . 24 LEU H . 7107 1 267 . 1 1 26 26 LEU HA H 1 3.978 0.03 . 1 . . . . 24 LEU HA . 7107 1 268 . 1 1 26 26 LEU HB2 H 1 1.133 0.03 . 2 . . . . 24 LEU HB2 . 7107 1 269 . 1 1 26 26 LEU HB3 H 1 1.934 0.03 . 2 . . . . 24 LEU HB3 . 7107 1 270 . 1 1 26 26 LEU HG H 1 1.185 0.03 . 1 . . . . 24 LEU HG . 7107 1 271 . 1 1 26 26 LEU HD11 H 1 0.448 0.03 . 1 . . . . 24 LEU HD1 . 7107 1 272 . 1 1 26 26 LEU HD12 H 1 0.448 0.03 . 1 . . . . 24 LEU HD1 . 7107 1 273 . 1 1 26 26 LEU HD13 H 1 0.448 0.03 . 1 . . . . 24 LEU HD1 . 7107 1 274 . 1 1 26 26 LEU HD21 H 1 0.762 0.03 . 1 . . . . 24 LEU HD2 . 7107 1 275 . 1 1 26 26 LEU HD22 H 1 0.762 0.03 . 1 . . . . 24 LEU HD2 . 7107 1 276 . 1 1 26 26 LEU HD23 H 1 0.762 0.03 . 1 . . . . 24 LEU HD2 . 7107 1 277 . 1 1 26 26 LEU C C 13 177.800 0.4 . 1 . . . . 24 LEU C . 7107 1 278 . 1 1 26 26 LEU CA C 13 56.245 0.4 . 1 . . . . 24 LEU CA . 7107 1 279 . 1 1 26 26 LEU CB C 13 44.400 0.4 . 1 . . . . 24 LEU CB . 7107 1 280 . 1 1 26 26 LEU CG C 13 25.469 0.4 . 1 . . . . 24 LEU CG . 7107 1 281 . 1 1 26 26 LEU CD1 C 13 26.667 0.4 . 1 . . . . 24 LEU CD1 . 7107 1 282 . 1 1 26 26 LEU CD2 C 13 23.952 0.4 . 1 . . . . 24 LEU CD2 . 7107 1 283 . 1 1 26 26 LEU N N 15 115.900 0.4 . 1 . . . . 24 LEU N . 7107 1 284 . 1 1 27 27 GLY H H 1 7.787 0.03 . 1 . . . . 25 GLY H . 7107 1 285 . 1 1 27 27 GLY HA2 H 1 4.190 0.03 . 2 . . . . 25 GLY HA2 . 7107 1 286 . 1 1 27 27 GLY HA3 H 1 3.690 0.03 . 2 . . . . 25 GLY HA3 . 7107 1 287 . 1 1 27 27 GLY C C 13 174.700 0.4 . 1 . . . . 25 GLY C . 7107 1 288 . 1 1 27 27 GLY CA C 13 44.900 0.4 . 1 . . . . 25 GLY CA . 7107 1 289 . 1 1 27 27 GLY N N 15 106.700 0.4 . 1 . . . . 25 GLY N . 7107 1 290 . 1 1 28 28 VAL H H 1 7.520 0.03 . 1 . . . . 26 VAL H . 7107 1 291 . 1 1 28 28 VAL HA H 1 3.750 0.03 . 1 . . . . 26 VAL HA . 7107 1 292 . 1 1 28 28 VAL HB H 1 1.565 0.03 . 1 . . . . 26 VAL HB . 7107 1 293 . 1 1 28 28 VAL HG11 H 1 1.201 0.03 . 2 . . . . 26 VAL HG1 . 7107 1 294 . 1 1 28 28 VAL HG12 H 1 1.201 0.03 . 2 . . . . 26 VAL HG1 . 7107 1 295 . 1 1 28 28 VAL HG13 H 1 1.201 0.03 . 2 . . . . 26 VAL HG1 . 7107 1 296 . 1 1 28 28 VAL HG21 H 1 0.976 0.03 . 2 . . . . 26 VAL HG2 . 7107 1 297 . 1 1 28 28 VAL HG22 H 1 0.976 0.03 . 2 . . . . 26 VAL HG2 . 7107 1 298 . 1 1 28 28 VAL HG23 H 1 0.976 0.03 . 2 . . . . 26 VAL HG2 . 7107 1 299 . 1 1 28 28 VAL C C 13 176.800 0.4 . 1 . . . . 26 VAL C . 7107 1 300 . 1 1 28 28 VAL CA C 13 63.073 0.4 . 1 . . . . 26 VAL CA . 7107 1 301 . 1 1 28 28 VAL CB C 13 32.000 0.4 . 1 . . . . 26 VAL CB . 7107 1 302 . 1 1 28 28 VAL CG1 C 13 23.451 0.4 . 2 . . . . 26 VAL CG1 . 7107 1 303 . 1 1 28 28 VAL CG2 C 13 23.390 0.4 . 2 . . . . 26 VAL CG2 . 7107 1 304 . 1 1 28 28 VAL N N 15 121.600 0.4 . 1 . . . . 26 VAL N . 7107 1 305 . 1 1 29 29 GLY H H 1 8.860 0.03 . 1 . . . . 27 GLY H . 7107 1 306 . 1 1 29 29 GLY HA2 H 1 3.920 0.03 . 2 . . . . 27 GLY HA2 . 7107 1 307 . 1 1 29 29 GLY HA3 H 1 4.140 0.03 . 2 . . . . 27 GLY HA3 . 7107 1 308 . 1 1 29 29 GLY C C 13 174.400 0.4 . 1 . . . . 27 GLY C . 7107 1 309 . 1 1 29 29 GLY CA C 13 45.200 0.4 . 1 . . . . 27 GLY CA . 7107 1 310 . 1 1 29 29 GLY N N 15 115.500 0.4 . 1 . . . . 27 GLY N . 7107 1 311 . 1 1 30 30 ILE H H 1 8.320 0.03 . 1 . . . . 28 ILE H . 7107 1 312 . 1 1 30 30 ILE HA H 1 3.656 0.03 . 1 . . . . 28 ILE HA . 7107 1 313 . 1 1 30 30 ILE HG12 H 1 1.234 0.03 . 2 . . . . 28 ILE HG12 . 7107 1 314 . 1 1 30 30 ILE HG13 H 1 1.522 0.03 . 2 . . . . 28 ILE HG13 . 7107 1 315 . 1 1 30 30 ILE HG21 H 1 0.975 0.03 . 1 . . . . 28 ILE HG2 . 7107 1 316 . 1 1 30 30 ILE HG22 H 1 0.975 0.03 . 1 . . . . 28 ILE HG2 . 7107 1 317 . 1 1 30 30 ILE HG23 H 1 0.975 0.03 . 1 . . . . 28 ILE HG2 . 7107 1 318 . 1 1 30 30 ILE HD11 H 1 0.923 0.03 . 1 . . . . 28 ILE HD1 . 7107 1 319 . 1 1 30 30 ILE HD12 H 1 0.923 0.03 . 1 . . . . 28 ILE HD1 . 7107 1 320 . 1 1 30 30 ILE HD13 H 1 0.923 0.03 . 1 . . . . 28 ILE HD1 . 7107 1 321 . 1 1 30 30 ILE C C 13 176.600 0.4 . 1 . . . . 28 ILE C . 7107 1 322 . 1 1 30 30 ILE CA C 13 64.861 0.4 . 1 . . . . 28 ILE CA . 7107 1 323 . 1 1 30 30 ILE CB C 13 38.427 0.4 . 1 . . . . 28 ILE CB . 7107 1 324 . 1 1 30 30 ILE CG1 C 13 29.082 0.4 . 1 . . . . 28 ILE CG1 . 7107 1 325 . 1 1 30 30 ILE CG2 C 13 16.938 0.4 . 1 . . . . 28 ILE CG2 . 7107 1 326 . 1 1 30 30 ILE CD1 C 13 13.584 0.4 . 1 . . . . 28 ILE CD1 . 7107 1 327 . 1 1 30 30 ILE N N 15 119.600 0.4 . 1 . . . . 28 ILE N . 7107 1 328 . 1 1 31 31 ALA H H 1 8.450 0.03 . 1 . . . . 29 ALA H . 7107 1 329 . 1 1 31 31 ALA HA H 1 4.123 0.03 . 1 . . . . 29 ALA HA . 7107 1 330 . 1 1 31 31 ALA HB1 H 1 1.413 0.03 . 1 . . . . 29 ALA HB . 7107 1 331 . 1 1 31 31 ALA HB2 H 1 1.413 0.03 . 1 . . . . 29 ALA HB . 7107 1 332 . 1 1 31 31 ALA HB3 H 1 1.413 0.03 . 1 . . . . 29 ALA HB . 7107 1 333 . 1 1 31 31 ALA C C 13 181.233 0.4 . 1 . . . . 29 ALA C . 7107 1 334 . 1 1 31 31 ALA CA C 13 55.570 0.4 . 1 . . . . 29 ALA CA . 7107 1 335 . 1 1 31 31 ALA CB C 13 17.742 0.4 . 1 . . . . 29 ALA CB . 7107 1 336 . 1 1 31 31 ALA N N 15 123.100 0.4 . 1 . . . . 29 ALA N . 7107 1 337 . 1 1 32 32 LEU H H 1 7.825 0.03 . 1 . . . . 30 LEU H . 7107 1 338 . 1 1 32 32 LEU HA H 1 4.257 0.03 . 1 . . . . 30 LEU HA . 7107 1 339 . 1 1 32 32 LEU HB2 H 1 1.433 0.03 . 2 . . . . 30 LEU HB2 . 7107 1 340 . 1 1 32 32 LEU HB3 H 1 1.704 0.03 . 2 . . . . 30 LEU HB3 . 7107 1 341 . 1 1 32 32 LEU HG H 1 1.699 0.03 . 1 . . . . 30 LEU HG . 7107 1 342 . 1 1 32 32 LEU HD11 H 1 0.959 0.03 . 1 . . . . 30 LEU HD1 . 7107 1 343 . 1 1 32 32 LEU HD12 H 1 0.959 0.03 . 1 . . . . 30 LEU HD1 . 7107 1 344 . 1 1 32 32 LEU HD13 H 1 0.959 0.03 . 1 . . . . 30 LEU HD1 . 7107 1 345 . 1 1 32 32 LEU HD21 H 1 0.881 0.03 . 1 . . . . 30 LEU HD2 . 7107 1 346 . 1 1 32 32 LEU HD22 H 1 0.881 0.03 . 1 . . . . 30 LEU HD2 . 7107 1 347 . 1 1 32 32 LEU HD23 H 1 0.881 0.03 . 1 . . . . 30 LEU HD2 . 7107 1 348 . 1 1 32 32 LEU C C 13 179.100 0.4 . 1 . . . . 30 LEU C . 7107 1 349 . 1 1 32 32 LEU CA C 13 57.160 0.4 . 1 . . . . 30 LEU CA . 7107 1 350 . 1 1 32 32 LEU CB C 13 41.900 0.4 . 1 . . . . 30 LEU CB . 7107 1 351 . 1 1 32 32 LEU CG C 13 27.820 0.4 . 1 . . . . 30 LEU CG . 7107 1 352 . 1 1 32 32 LEU CD1 C 13 25.096 0.4 . 1 . . . . 30 LEU CD1 . 7107 1 353 . 1 1 32 32 LEU CD2 C 13 24.235 0.4 . 1 . . . . 30 LEU CD2 . 7107 1 354 . 1 1 32 32 LEU N N 15 119.300 0.4 . 1 . . . . 30 LEU N . 7107 1 355 . 1 1 33 33 ARG H H 1 8.300 0.03 . 1 . . . . 31 ARG H . 7107 1 356 . 1 1 33 33 ARG HA H 1 4.005 0.03 . 1 . . . . 31 ARG HA . 7107 1 357 . 1 1 33 33 ARG HB2 H 1 1.807 0.03 . 1 . . . . 31 ARG HB2 . 7107 1 358 . 1 1 33 33 ARG HB3 H 1 1.807 0.03 . 1 . . . . 31 ARG HB3 . 7107 1 359 . 1 1 33 33 ARG HD2 H 1 2.763 0.03 . 2 . . . . 31 ARG HD2 . 7107 1 360 . 1 1 33 33 ARG HD3 H 1 3.162 0.03 . 2 . . . . 31 ARG HD3 . 7107 1 361 . 1 1 33 33 ARG C C 13 179.700 0.4 . 1 . . . . 31 ARG C . 7107 1 362 . 1 1 33 33 ARG CA C 13 59.659 0.4 . 1 . . . . 31 ARG CA . 7107 1 363 . 1 1 33 33 ARG CB C 13 29.800 0.4 . 1 . . . . 31 ARG CB . 7107 1 364 . 1 1 33 33 ARG CD C 13 44.250 0.4 . 1 . . . . 31 ARG CD . 7107 1 365 . 1 1 33 33 ARG N N 15 119.600 0.4 . 1 . . . . 31 ARG N . 7107 1 366 . 1 1 34 34 LYS H H 1 8.202 0.03 . 1 . . . . 32 LYS H . 7107 1 367 . 1 1 34 34 LYS HA H 1 3.963 0.03 . 1 . . . . 32 LYS HA . 7107 1 368 . 1 1 34 34 LYS HB2 H 1 1.850 0.03 . 1 . . . . 32 LYS HB2 . 7107 1 369 . 1 1 34 34 LYS HB3 H 1 1.850 0.03 . 1 . . . . 32 LYS HB3 . 7107 1 370 . 1 1 34 34 LYS HG2 H 1 1.412 0.03 . 2 . . . . 32 LYS HG2 . 7107 1 371 . 1 1 34 34 LYS HG3 H 1 1.603 0.03 . 2 . . . . 32 LYS HG3 . 7107 1 372 . 1 1 34 34 LYS HD2 H 1 1.607 0.03 . 1 . . . . 32 LYS HD2 . 7107 1 373 . 1 1 34 34 LYS HD3 H 1 1.607 0.03 . 1 . . . . 32 LYS HD3 . 7107 1 374 . 1 1 34 34 LYS HE2 H 1 2.934 0.03 . 1 . . . . 32 LYS HE2 . 7107 1 375 . 1 1 34 34 LYS HE3 H 1 2.934 0.03 . 1 . . . . 32 LYS HE3 . 7107 1 376 . 1 1 34 34 LYS C C 13 179.000 0.4 . 1 . . . . 32 LYS C . 7107 1 377 . 1 1 34 34 LYS CA C 13 59.485 0.4 . 1 . . . . 32 LYS CA . 7107 1 378 . 1 1 34 34 LYS CB C 13 32.200 0.4 . 1 . . . . 32 LYS CB . 7107 1 379 . 1 1 34 34 LYS CG C 13 25.305 0.4 . 1 . . . . 32 LYS CG . 7107 1 380 . 1 1 34 34 LYS CD C 13 27.633 0.4 . 1 . . . . 32 LYS CD . 7107 1 381 . 1 1 34 34 LYS CE C 13 42.007 0.4 . 1 . . . . 32 LYS CE . 7107 1 382 . 1 1 34 34 LYS N N 15 119.800 0.4 . 1 . . . . 32 LYS N . 7107 1 383 . 1 1 35 35 MET H H 1 7.310 0.03 . 1 . . . . 33 MET H . 7107 1 384 . 1 1 35 35 MET HA H 1 4.098 0.03 . 1 . . . . 33 MET HA . 7107 1 385 . 1 1 35 35 MET HB2 H 1 2.215 0.03 . 2 . . . . 33 MET HB2 . 7107 1 386 . 1 1 35 35 MET HB3 H 1 2.286 0.03 . 2 . . . . 33 MET HB3 . 7107 1 387 . 1 1 35 35 MET HG2 H 1 2.548 0.03 . 2 . . . . 33 MET HG2 . 7107 1 388 . 1 1 35 35 MET HG3 H 1 2.829 0.03 . 2 . . . . 33 MET HG3 . 7107 1 389 . 1 1 35 35 MET C C 13 179.200 0.4 . 1 . . . . 33 MET C . 7107 1 390 . 1 1 35 35 MET CA C 13 58.900 0.4 . 1 . . . . 33 MET CA . 7107 1 391 . 1 1 35 35 MET CB C 13 32.971 0.4 . 1 . . . . 33 MET CB . 7107 1 392 . 1 1 35 35 MET CG C 13 31.892 0.4 . 1 . . . . 33 MET CG . 7107 1 393 . 1 1 35 35 MET N N 15 117.500 0.4 . 1 . . . . 33 MET N . 7107 1 394 . 1 1 36 36 GLY H H 1 8.670 0.03 . 1 . . . . 34 GLY H . 7107 1 395 . 1 1 36 36 GLY HA2 H 1 2.940 0.03 . 2 . . . . 34 GLY HA2 . 7107 1 396 . 1 1 36 36 GLY HA3 H 1 3.450 0.03 . 2 . . . . 34 GLY HA3 . 7107 1 397 . 1 1 36 36 GLY C C 13 174.900 0.4 . 1 . . . . 34 GLY C . 7107 1 398 . 1 1 36 36 GLY CA C 13 47.400 0.4 . 1 . . . . 34 GLY CA . 7107 1 399 . 1 1 36 36 GLY N N 15 106.100 0.4 . 1 . . . . 34 GLY N . 7107 1 400 . 1 1 37 37 ALA H H 1 8.260 0.03 . 1 . . . . 35 ALA H . 7107 1 401 . 1 1 37 37 ALA HA H 1 4.231 0.03 . 1 . . . . 35 ALA HA . 7107 1 402 . 1 1 37 37 ALA HB1 H 1 1.485 0.03 . 1 . . . . 35 ALA HB . 7107 1 403 . 1 1 37 37 ALA HB2 H 1 1.485 0.03 . 1 . . . . 35 ALA HB . 7107 1 404 . 1 1 37 37 ALA HB3 H 1 1.485 0.03 . 1 . . . . 35 ALA HB . 7107 1 405 . 1 1 37 37 ALA C C 13 179.100 0.4 . 1 . . . . 35 ALA C . 7107 1 406 . 1 1 37 37 ALA CA C 13 54.500 0.4 . 1 . . . . 35 ALA CA . 7107 1 407 . 1 1 37 37 ALA CB C 13 18.684 0.4 . 1 . . . . 35 ALA CB . 7107 1 408 . 1 1 37 37 ALA N N 15 121.900 0.4 . 1 . . . . 35 ALA N . 7107 1 409 . 1 1 38 38 MET H H 1 7.450 0.03 . 1 . . . . 36 MET H . 7107 1 410 . 1 1 38 38 MET HA H 1 4.502 0.03 . 1 . . . . 36 MET HA . 7107 1 411 . 1 1 38 38 MET HB2 H 1 2.166 0.03 . 1 . . . . 36 MET HB2 . 7107 1 412 . 1 1 38 38 MET HB3 H 1 2.166 0.03 . 1 . . . . 36 MET HB3 . 7107 1 413 . 1 1 38 38 MET HG2 H 1 2.736 0.03 . 1 . . . . 36 MET HG2 . 7107 1 414 . 1 1 38 38 MET HG3 H 1 2.736 0.03 . 1 . . . . 36 MET HG3 . 7107 1 415 . 1 1 38 38 MET C C 13 176.500 0.4 . 1 . . . . 36 MET C . 7107 1 416 . 1 1 38 38 MET CA C 13 55.699 0.4 . 1 . . . . 36 MET CA . 7107 1 417 . 1 1 38 38 MET CB C 13 33.479 0.4 . 1 . . . . 36 MET CB . 7107 1 418 . 1 1 38 38 MET CG C 13 31.785 0.4 . 1 . . . . 36 MET CG . 7107 1 419 . 1 1 38 38 MET N N 15 113.700 0.4 . 1 . . . . 36 MET N . 7107 1 420 . 1 1 39 39 ALA H H 1 7.351 0.03 . 1 . . . . 37 ALA H . 7107 1 421 . 1 1 39 39 ALA HA H 1 4.364 0.03 . 1 . . . . 37 ALA HA . 7107 1 422 . 1 1 39 39 ALA HB1 H 1 1.798 0.03 . 1 . . . . 37 ALA HB . 7107 1 423 . 1 1 39 39 ALA HB2 H 1 1.798 0.03 . 1 . . . . 37 ALA HB . 7107 1 424 . 1 1 39 39 ALA HB3 H 1 1.798 0.03 . 1 . . . . 37 ALA HB . 7107 1 425 . 1 1 39 39 ALA CA C 13 52.875 0.4 . 1 . . . . 37 ALA CA . 7107 1 426 . 1 1 39 39 ALA CB C 13 20.070 0.4 . 1 . . . . 37 ALA CB . 7107 1 427 . 1 1 39 39 ALA N N 15 121.800 0.4 . 1 . . . . 37 ALA N . 7107 1 428 . 1 1 41 41 PRO HA H 1 4.892 0.03 . 1 . . . . 39 Pro HA . 7107 1 429 . 1 1 41 41 PRO HB2 H 1 1.467 0.03 . 2 . . . . 39 Pro HB2 . 7107 1 430 . 1 1 41 41 PRO HB3 H 1 1.765 0.03 . 2 . . . . 39 Pro HB3 . 7107 1 431 . 1 1 41 41 PRO HG2 H 1 1.268 0.03 . 2 . . . . 39 Pro HG2 . 7107 1 432 . 1 1 41 41 PRO HG3 H 1 1.906 0.03 . 2 . . . . 39 Pro HG3 . 7107 1 433 . 1 1 41 41 PRO HD2 H 1 3.325 0.03 . 2 . . . . 39 Pro HD2 . 7107 1 434 . 1 1 41 41 PRO HD3 H 1 3.678 0.03 . 2 . . . . 39 Pro HD3 . 7107 1 435 . 1 1 41 41 PRO C C 13 175.700 0.4 . 1 . . . . 39 Pro C . 7107 1 436 . 1 1 41 41 PRO CA C 13 62.772 0.4 . 1 . . . . 39 Pro CA . 7107 1 437 . 1 1 41 41 PRO CB C 13 34.100 0.4 . 1 . . . . 39 Pro CB . 7107 1 438 . 1 1 41 41 PRO CD C 13 50.724 0.4 . 1 . . . . 39 Pro CD . 7107 1 439 . 1 1 42 42 ASP H H 1 8.294 0.03 . 1 . . . . 40 ASP H . 7107 1 440 . 1 1 42 42 ASP HA H 1 6.058 0.03 . 1 . . . . 40 ASP HA . 7107 1 441 . 1 1 42 42 ASP HB2 H 1 2.540 0.03 . 1 . . . . 40 ASP HB2 . 7107 1 442 . 1 1 42 42 ASP HB3 H 1 2.540 0.03 . 1 . . . . 40 ASP HB3 . 7107 1 443 . 1 1 42 42 ASP C C 13 175.800 0.4 . 1 . . . . 40 ASP C . 7107 1 444 . 1 1 42 42 ASP CA C 13 52.700 0.4 . 1 . . . . 40 ASP CA . 7107 1 445 . 1 1 42 42 ASP CB C 13 42.366 0.4 . 1 . . . . 40 ASP CB . 7107 1 446 . 1 1 42 42 ASP N N 15 116.800 0.4 . 1 . . . . 40 ASP N . 7107 1 447 . 1 1 43 43 CYS H H 1 9.990 0.03 . 1 . . . . 41 CYS H . 7107 1 448 . 1 1 43 43 CYS HA H 1 5.432 0.03 . 1 . . . . 41 CYS HA . 7107 1 449 . 1 1 43 43 CYS HB2 H 1 2.003 0.03 . 2 . . . . 41 CYS HB2 . 7107 1 450 . 1 1 43 43 CYS HB3 H 1 2.405 0.03 . 2 . . . . 41 CYS HB3 . 7107 1 451 . 1 1 43 43 CYS C C 13 173.200 0.4 . 1 . . . . 41 CYS C . 7107 1 452 . 1 1 43 43 CYS CA C 13 56.997 0.4 . 1 . . . . 41 CYS CA . 7107 1 453 . 1 1 43 43 CYS CB C 13 28.900 0.4 . 1 . . . . 41 CYS CB . 7107 1 454 . 1 1 43 43 CYS N N 15 121.500 0.4 . 1 . . . . 41 CYS N . 7107 1 455 . 1 1 44 44 ILE H H 1 10.030 0.03 . 1 . . . . 42 ILE H . 7107 1 456 . 1 1 44 44 ILE HA H 1 5.279 0.03 . 1 . . . . 42 ILE HA . 7107 1 457 . 1 1 44 44 ILE HG12 H 1 1.169 0.03 . 2 . . . . 42 ILE HG12 . 7107 1 458 . 1 1 44 44 ILE HG13 H 1 1.348 0.03 . 2 . . . . 42 ILE HG13 . 7107 1 459 . 1 1 44 44 ILE HG21 H 1 0.802 0.03 . 1 . . . . 42 ILE HG2 . 7107 1 460 . 1 1 44 44 ILE HG22 H 1 0.802 0.03 . 1 . . . . 42 ILE HG2 . 7107 1 461 . 1 1 44 44 ILE HG23 H 1 0.802 0.03 . 1 . . . . 42 ILE HG2 . 7107 1 462 . 1 1 44 44 ILE HD11 H 1 0.896 0.03 . 1 . . . . 42 ILE HD1 . 7107 1 463 . 1 1 44 44 ILE HD12 H 1 0.896 0.03 . 1 . . . . 42 ILE HD1 . 7107 1 464 . 1 1 44 44 ILE HD13 H 1 0.896 0.03 . 1 . . . . 42 ILE HD1 . 7107 1 465 . 1 1 44 44 ILE C C 13 176.200 0.4 . 1 . . . . 42 ILE C . 7107 1 466 . 1 1 44 44 ILE CA C 13 61.117 0.4 . 1 . . . . 42 ILE CA . 7107 1 467 . 1 1 44 44 ILE CB C 13 40.345 0.4 . 1 . . . . 42 ILE CB . 7107 1 468 . 1 1 44 44 ILE CG1 C 13 29.878 0.4 . 1 . . . . 42 ILE CG1 . 7107 1 469 . 1 1 44 44 ILE CG2 C 13 20.156 0.4 . 1 . . . . 42 ILE CG2 . 7107 1 470 . 1 1 44 44 ILE CD1 C 13 16.274 0.4 . 1 . . . . 42 ILE CD1 . 7107 1 471 . 1 1 44 44 ILE N N 15 129.900 0.4 . 1 . . . . 42 ILE N . 7107 1 472 . 1 1 45 45 ILE H H 1 9.220 0.03 . 1 . . . . 43 ILE H . 7107 1 473 . 1 1 45 45 ILE HA H 1 4.841 0.03 . 1 . . . . 43 ILE HA . 7107 1 474 . 1 1 45 45 ILE HG12 H 1 0.769 0.03 . 2 . . . . 43 ILE HG12 . 7107 1 475 . 1 1 45 45 ILE HG13 H 1 1.798 0.03 . 2 . . . . 43 ILE HG13 . 7107 1 476 . 1 1 45 45 ILE HG21 H 1 0.539 0.03 . 1 . . . . 43 ILE HG2 . 7107 1 477 . 1 1 45 45 ILE HG22 H 1 0.539 0.03 . 1 . . . . 43 ILE HG2 . 7107 1 478 . 1 1 45 45 ILE HG23 H 1 0.539 0.03 . 1 . . . . 43 ILE HG2 . 7107 1 479 . 1 1 45 45 ILE HD11 H 1 0.573 0.03 . 1 . . . . 43 ILE HD1 . 7107 1 480 . 1 1 45 45 ILE HD12 H 1 0.573 0.03 . 1 . . . . 43 ILE HD1 . 7107 1 481 . 1 1 45 45 ILE HD13 H 1 0.573 0.03 . 1 . . . . 43 ILE HD1 . 7107 1 482 . 1 1 45 45 ILE C C 13 176.000 0.4 . 1 . . . . 43 ILE C . 7107 1 483 . 1 1 45 45 ILE CA C 13 60.730 0.4 . 1 . . . . 43 ILE CA . 7107 1 484 . 1 1 45 45 ILE CB C 13 39.804 0.4 . 1 . . . . 43 ILE CB . 7107 1 485 . 1 1 45 45 ILE CG1 C 13 28.775 0.4 . 1 . . . . 43 ILE CG1 . 7107 1 486 . 1 1 45 45 ILE CG2 C 13 16.056 0.4 . 1 . . . . 43 ILE CG2 . 7107 1 487 . 1 1 45 45 ILE CD1 C 13 12.901 0.4 . 1 . . . . 43 ILE CD1 . 7107 1 488 . 1 1 45 45 ILE N N 15 129.700 0.4 . 1 . . . . 43 ILE N . 7107 1 489 . 1 1 46 46 THR H H 1 8.910 0.03 . 1 . . . . 44 THR H . 7107 1 490 . 1 1 46 46 THR HA H 1 4.795 0.03 . 1 . . . . 44 THR HA . 7107 1 491 . 1 1 46 46 THR HB H 1 3.950 0.03 . 1 . . . . 44 THR HB . 7107 1 492 . 1 1 46 46 THR HG21 H 1 1.159 0.03 . 1 . . . . 44 THR HG2 . 7107 1 493 . 1 1 46 46 THR HG22 H 1 1.159 0.03 . 1 . . . . 44 THR HG2 . 7107 1 494 . 1 1 46 46 THR HG23 H 1 1.159 0.03 . 1 . . . . 44 THR HG2 . 7107 1 495 . 1 1 46 46 THR C C 13 175.200 0.4 . 1 . . . . 44 THR C . 7107 1 496 . 1 1 46 46 THR CA C 13 60.788 0.4 . 1 . . . . 44 THR CA . 7107 1 497 . 1 1 46 46 THR CB C 13 71.200 0.4 . 1 . . . . 44 THR CB . 7107 1 498 . 1 1 46 46 THR CG2 C 13 21.612 0.4 . 1 . . . . 44 THR CG2 . 7107 1 499 . 1 1 46 46 THR N N 15 123.000 0.4 . 1 . . . . 44 THR N . 7107 1 500 . 1 1 47 47 CYS H H 1 10.258 0.03 . 1 . . . . 45 CYS H . 7107 1 501 . 1 1 47 47 CYS HA H 1 5.214 0.03 . 1 . . . . 45 CYS HA . 7107 1 502 . 1 1 47 47 CYS HB2 H 1 2.386 0.03 . 2 . . . . 45 CYS HB2 . 7107 1 503 . 1 1 47 47 CYS HB3 H 1 2.867 0.03 . 2 . . . . 45 CYS HB3 . 7107 1 504 . 1 1 47 47 CYS C C 13 172.400 0.4 . 1 . . . . 45 CYS C . 7107 1 505 . 1 1 47 47 CYS CA C 13 58.506 0.4 . 1 . . . . 45 CYS CA . 7107 1 506 . 1 1 47 47 CYS CB C 13 29.100 0.4 . 1 . . . . 45 CYS CB . 7107 1 507 . 1 1 47 47 CYS N N 15 126.000 0.4 . 1 . . . . 45 CYS N . 7107 1 508 . 1 1 48 48 ASP H H 1 8.009 0.03 . 1 . . . . 46 ASP H . 7107 1 509 . 1 1 48 48 ASP HA H 1 4.836 0.03 . 1 . . . . 46 ASP HA . 7107 1 510 . 1 1 48 48 ASP HB2 H 1 2.688 0.03 . 2 . . . . 46 ASP HB2 . 7107 1 511 . 1 1 48 48 ASP HB3 H 1 3.099 0.03 . 2 . . . . 46 ASP HB3 . 7107 1 512 . 1 1 48 48 ASP C C 13 176.900 0.4 . 1 . . . . 46 ASP C . 7107 1 513 . 1 1 48 48 ASP CA C 13 53.012 0.4 . 1 . . . . 46 ASP CA . 7107 1 514 . 1 1 48 48 ASP CB C 13 41.084 0.4 . 1 . . . . 46 ASP CB . 7107 1 515 . 1 1 48 48 ASP N N 15 126.700 0.4 . 1 . . . . 46 ASP N . 7107 1 516 . 1 1 49 49 GLY H H 1 8.305 0.03 . 1 . . . . 47 GLY H . 7107 1 517 . 1 1 49 49 GLY HA2 H 1 3.290 0.03 . 2 . . . . 47 GLY HA2 . 7107 1 518 . 1 1 49 49 GLY HA3 H 1 4.440 0.03 . 2 . . . . 47 GLY HA3 . 7107 1 519 . 1 1 49 49 GLY C C 13 173.100 0.4 . 1 . . . . 47 GLY C . 7107 1 520 . 1 1 49 49 GLY CA C 13 45.100 0.4 . 1 . . . . 47 GLY CA . 7107 1 521 . 1 1 49 49 GLY N N 15 110.600 0.4 . 1 . . . . 47 GLY N . 7107 1 522 . 1 1 50 50 LYS H H 1 8.668 0.03 . 1 . . . . 48 LYS H . 7107 1 523 . 1 1 50 50 LYS HA H 1 4.419 0.03 . 1 . . . . 48 LYS HA . 7107 1 524 . 1 1 50 50 LYS HB2 H 1 1.755 0.03 . 2 . . . . 48 LYS HB2 . 7107 1 525 . 1 1 50 50 LYS HB3 H 1 1.889 0.03 . 2 . . . . 48 LYS HB3 . 7107 1 526 . 1 1 50 50 LYS HG2 H 1 1.391 0.03 . 2 . . . . 48 LYS HG2 . 7107 1 527 . 1 1 50 50 LYS HG3 H 1 1.476 0.03 . 2 . . . . 48 LYS HG3 . 7107 1 528 . 1 1 50 50 LYS HD2 H 1 1.715 0.03 . 1 . . . . 48 LYS HD2 . 7107 1 529 . 1 1 50 50 LYS HD3 H 1 1.715 0.03 . 1 . . . . 48 LYS HD3 . 7107 1 530 . 1 1 50 50 LYS HE2 H 1 3.001 0.03 . 1 . . . . 48 LYS HE2 . 7107 1 531 . 1 1 50 50 LYS HE3 H 1 3.001 0.03 . 1 . . . . 48 LYS HE3 . 7107 1 532 . 1 1 50 50 LYS C C 13 174.200 0.4 . 1 . . . . 48 LYS C . 7107 1 533 . 1 1 50 50 LYS CA C 13 58.192 0.4 . 1 . . . . 48 LYS CA . 7107 1 534 . 1 1 50 50 LYS CB C 13 35.000 0.4 . 1 . . . . 48 LYS CB . 7107 1 535 . 1 1 50 50 LYS CG C 13 24.975 0.4 . 1 . . . . 48 LYS CG . 7107 1 536 . 1 1 50 50 LYS CD C 13 29.233 0.4 . 1 . . . . 48 LYS CD . 7107 1 537 . 1 1 50 50 LYS CE C 13 42.144 0.4 . 1 . . . . 48 LYS CE . 7107 1 538 . 1 1 50 50 LYS N N 15 122.900 0.4 . 1 . . . . 48 LYS N . 7107 1 539 . 1 1 51 51 ASN H H 1 9.526 0.03 . 1 . . . . 49 ASN H . 7107 1 540 . 1 1 51 51 ASN HA H 1 5.201 0.03 . 1 . . . . 49 ASN HA . 7107 1 541 . 1 1 51 51 ASN HB2 H 1 2.704 0.03 . 2 . . . . 49 ASN HB2 . 7107 1 542 . 1 1 51 51 ASN HB3 H 1 2.782 0.03 . 2 . . . . 49 ASN HB3 . 7107 1 543 . 1 1 51 51 ASN HD21 H 1 8.238 0.03 . 1 . . . . 49 ASN HD21 . 7107 1 544 . 1 1 51 51 ASN HD22 H 1 6.894 0.03 . 1 . . . . 49 ASN HD22 . 7107 1 545 . 1 1 51 51 ASN C C 13 173.600 0.4 . 1 . . . . 49 ASN C . 7107 1 546 . 1 1 51 51 ASN CA C 13 53.202 0.4 . 1 . . . . 49 ASN CA . 7107 1 547 . 1 1 51 51 ASN CB C 13 39.942 0.4 . 1 . . . . 49 ASN CB . 7107 1 548 . 1 1 51 51 ASN N N 15 119.900 0.4 . 1 . . . . 49 ASN N . 7107 1 549 . 1 1 51 51 ASN ND2 N 15 116.100 0.4 . 1 . . . . 49 ASN ND2 . 7107 1 550 . 1 1 52 52 LEU H H 1 8.986 0.03 . 1 . . . . 50 LEU H . 7107 1 551 . 1 1 52 52 LEU HA H 1 5.161 0.03 . 1 . . . . 50 LEU HA . 7107 1 552 . 1 1 52 52 LEU HB2 H 1 1.215 0.03 . 2 . . . . 50 LEU HB2 . 7107 1 553 . 1 1 52 52 LEU HB3 H 1 1.879 0.03 . 2 . . . . 50 LEU HB3 . 7107 1 554 . 1 1 52 52 LEU HG H 1 1.270 0.03 . 1 . . . . 50 LEU HG . 7107 1 555 . 1 1 52 52 LEU HD11 H 1 0.849 0.03 . 1 . . . . 50 LEU HD1 . 7107 1 556 . 1 1 52 52 LEU HD12 H 1 0.849 0.03 . 1 . . . . 50 LEU HD1 . 7107 1 557 . 1 1 52 52 LEU HD13 H 1 0.849 0.03 . 1 . . . . 50 LEU HD1 . 7107 1 558 . 1 1 52 52 LEU HD21 H 1 0.878 0.03 . 1 . . . . 50 LEU HD2 . 7107 1 559 . 1 1 52 52 LEU HD22 H 1 0.878 0.03 . 1 . . . . 50 LEU HD2 . 7107 1 560 . 1 1 52 52 LEU HD23 H 1 0.878 0.03 . 1 . . . . 50 LEU HD2 . 7107 1 561 . 1 1 52 52 LEU C C 13 174.700 0.4 . 1 . . . . 50 LEU C . 7107 1 562 . 1 1 52 52 LEU CA C 13 53.924 0.4 . 1 . . . . 50 LEU CA . 7107 1 563 . 1 1 52 52 LEU CB C 13 46.583 0.4 . 1 . . . . 50 LEU CB . 7107 1 564 . 1 1 52 52 LEU CG C 13 27.927 0.4 . 1 . . . . 50 LEU CG . 7107 1 565 . 1 1 52 52 LEU CD1 C 13 23.411 0.4 . 1 . . . . 50 LEU CD1 . 7107 1 566 . 1 1 52 52 LEU CD2 C 13 28.005 0.4 . 1 . . . . 50 LEU CD2 . 7107 1 567 . 1 1 52 52 LEU N N 15 127.400 0.4 . 1 . . . . 50 LEU N . 7107 1 568 . 1 1 53 53 THR H H 1 9.033 0.03 . 1 . . . . 51 THR H . 7107 1 569 . 1 1 53 53 THR HA H 1 5.156 0.03 . 1 . . . . 51 THR HA . 7107 1 570 . 1 1 53 53 THR HB H 1 3.858 0.03 . 1 . . . . 51 THR HB . 7107 1 571 . 1 1 53 53 THR HG21 H 1 1.018 0.03 . 1 . . . . 51 THR HG2 . 7107 1 572 . 1 1 53 53 THR HG22 H 1 1.018 0.03 . 1 . . . . 51 THR HG2 . 7107 1 573 . 1 1 53 53 THR HG23 H 1 1.018 0.03 . 1 . . . . 51 THR HG2 . 7107 1 574 . 1 1 53 53 THR C C 13 173.000 0.4 . 1 . . . . 51 THR C . 7107 1 575 . 1 1 53 53 THR CA C 13 61.516 0.4 . 1 . . . . 51 THR CA . 7107 1 576 . 1 1 53 53 THR CB C 13 72.000 0.4 . 1 . . . . 51 THR CB . 7107 1 577 . 1 1 53 53 THR CG2 C 13 20.731 0.4 . 1 . . . . 51 THR CG2 . 7107 1 578 . 1 1 53 53 THR N N 15 122.200 0.4 . 1 . . . . 51 THR N . 7107 1 579 . 1 1 54 54 ILE H H 1 7.700 0.03 . 1 . . . . 52 ILE H . 7107 1 580 . 1 1 54 54 ILE HA H 1 4.513 0.03 . 1 . . . . 52 ILE HA . 7107 1 581 . 1 1 54 54 ILE HG12 H 1 0.951 0.03 . 2 . . . . 52 ILE HG12 . 7107 1 582 . 1 1 54 54 ILE HG13 H 1 1.109 0.03 . 2 . . . . 52 ILE HG13 . 7107 1 583 . 1 1 54 54 ILE HG21 H 1 0.332 0.03 . 1 . . . . 52 ILE HG2 . 7107 1 584 . 1 1 54 54 ILE HG22 H 1 0.332 0.03 . 1 . . . . 52 ILE HG2 . 7107 1 585 . 1 1 54 54 ILE HG23 H 1 0.332 0.03 . 1 . . . . 52 ILE HG2 . 7107 1 586 . 1 1 54 54 ILE HD11 H 1 0.622 0.03 . 1 . . . . 52 ILE HD1 . 7107 1 587 . 1 1 54 54 ILE HD12 H 1 0.622 0.03 . 1 . . . . 52 ILE HD1 . 7107 1 588 . 1 1 54 54 ILE HD13 H 1 0.622 0.03 . 1 . . . . 52 ILE HD1 . 7107 1 589 . 1 1 54 54 ILE C C 13 174.500 0.4 . 1 . . . . 52 ILE C . 7107 1 590 . 1 1 54 54 ILE CA C 13 61.418 0.4 . 1 . . . . 52 ILE CA . 7107 1 591 . 1 1 54 54 ILE CB C 13 38.276 0.4 . 1 . . . . 52 ILE CB . 7107 1 592 . 1 1 54 54 ILE CG2 C 13 15.784 0.4 . 1 . . . . 52 ILE CG2 . 7107 1 593 . 1 1 54 54 ILE CD1 C 13 12.251 0.4 . 1 . . . . 52 ILE CD1 . 7107 1 594 . 1 1 54 54 ILE N N 15 122.200 0.4 . 1 . . . . 52 ILE N . 7107 1 595 . 1 1 55 55 LYS H H 1 8.955 0.03 . 1 . . . . 53 LYS H . 7107 1 596 . 1 1 55 55 LYS HA H 1 5.163 0.03 . 1 . . . . 53 LYS HA . 7107 1 597 . 1 1 55 55 LYS HB2 H 1 1.637 0.03 . 2 . . . . 53 LYS HB2 . 7107 1 598 . 1 1 55 55 LYS HB3 H 1 1.886 0.03 . 2 . . . . 53 LYS HB3 . 7107 1 599 . 1 1 55 55 LYS HG2 H 1 0.743 0.03 . 2 . . . . 53 LYS HG2 . 7107 1 600 . 1 1 55 55 LYS HG3 H 1 0.886 0.03 . 2 . . . . 53 LYS HG3 . 7107 1 601 . 1 1 55 55 LYS HD2 H 1 1.457 0.03 . 1 . . . . 53 LYS HD2 . 7107 1 602 . 1 1 55 55 LYS HD3 H 1 1.457 0.03 . 1 . . . . 53 LYS HD3 . 7107 1 603 . 1 1 55 55 LYS HE2 H 1 2.835 0.03 . 1 . . . . 53 LYS HE2 . 7107 1 604 . 1 1 55 55 LYS HE3 H 1 2.835 0.03 . 1 . . . . 53 LYS HE3 . 7107 1 605 . 1 1 55 55 LYS C C 13 174.400 0.4 . 1 . . . . 53 LYS C . 7107 1 606 . 1 1 55 55 LYS CA C 13 54.012 0.4 . 1 . . . . 53 LYS CA . 7107 1 607 . 1 1 55 55 LYS CB C 13 35.900 0.4 . 1 . . . . 53 LYS CB . 7107 1 608 . 1 1 55 55 LYS CG C 13 25.225 0.4 . 1 . . . . 53 LYS CG . 7107 1 609 . 1 1 55 55 LYS CD C 13 27.274 0.4 . 1 . . . . 53 LYS CD . 7107 1 610 . 1 1 55 55 LYS CE C 13 42.050 0.4 . 1 . . . . 53 LYS CE . 7107 1 611 . 1 1 55 55 LYS N N 15 132.300 0.4 . 1 . . . . 53 LYS N . 7107 1 612 . 1 1 56 56 THR H H 1 9.220 0.03 . 1 . . . . 54 THR H . 7107 1 613 . 1 1 56 56 THR HA H 1 5.149 0.03 . 1 . . . . 54 THR HA . 7107 1 614 . 1 1 56 56 THR HB H 1 4.127 0.03 . 1 . . . . 54 THR HB . 7107 1 615 . 1 1 56 56 THR HG21 H 1 0.684 0.03 . 1 . . . . 54 THR HG2 . 7107 1 616 . 1 1 56 56 THR HG22 H 1 0.684 0.03 . 1 . . . . 54 THR HG2 . 7107 1 617 . 1 1 56 56 THR HG23 H 1 0.684 0.03 . 1 . . . . 54 THR HG2 . 7107 1 618 . 1 1 56 56 THR C C 13 172.600 0.4 . 1 . . . . 54 THR C . 7107 1 619 . 1 1 56 56 THR CA C 13 62.504 0.4 . 1 . . . . 54 THR CA . 7107 1 620 . 1 1 56 56 THR CB C 13 68.963 0.4 . 1 . . . . 54 THR CB . 7107 1 621 . 1 1 56 56 THR CG2 C 13 22.038 0.4 . 1 . . . . 54 THR CG2 . 7107 1 622 . 1 1 56 56 THR N N 15 125.200 0.4 . 1 . . . . 54 THR N . 7107 1 623 . 1 1 57 57 GLU H H 1 9.317 0.03 . 1 . . . . 55 GLU H . 7107 1 624 . 1 1 57 57 GLU HA H 1 5.276 0.03 . 1 . . . . 55 GLU HA . 7107 1 625 . 1 1 57 57 GLU HB2 H 1 1.883 0.03 . 1 . . . . 55 GLU HB2 . 7107 1 626 . 1 1 57 57 GLU HB3 H 1 1.883 0.03 . 1 . . . . 55 GLU HB3 . 7107 1 627 . 1 1 57 57 GLU C C 13 174.400 0.4 . 1 . . . . 55 GLU C . 7107 1 628 . 1 1 57 57 GLU CA C 13 54.500 0.4 . 1 . . . . 55 GLU CA . 7107 1 629 . 1 1 57 57 GLU CB C 13 34.267 0.4 . 1 . . . . 55 GLU CB . 7107 1 630 . 1 1 57 57 GLU N N 15 124.500 0.4 . 1 . . . . 55 GLU N . 7107 1 631 . 1 1 58 58 SER H H 1 8.263 0.03 . 1 . . . . 56 SER H . 7107 1 632 . 1 1 58 58 SER HA H 1 5.060 0.03 . 1 . . . . 56 SER HA . 7107 1 633 . 1 1 58 58 SER HB2 H 1 3.857 0.03 . 2 . . . . 56 SER HB2 . 7107 1 634 . 1 1 58 58 SER HB3 H 1 4.331 0.03 . 2 . . . . 56 SER HB3 . 7107 1 635 . 1 1 58 58 SER CA C 13 57.362 0.4 . 1 . . . . 56 SER CA . 7107 1 636 . 1 1 58 58 SER CB C 13 67.597 0.4 . 1 . . . . 56 SER CB . 7107 1 637 . 1 1 58 58 SER N N 15 118.600 0.4 . 1 . . . . 56 SER N . 7107 1 638 . 1 1 59 59 THR HA H 1 4.025 0.03 . 1 . . . . 57 THR HA . 7107 1 639 . 1 1 59 59 THR HB H 1 4.236 0.03 . 1 . . . . 57 THR HB . 7107 1 640 . 1 1 59 59 THR HG21 H 1 1.328 0.03 . 1 . . . . 57 THR HG2 . 7107 1 641 . 1 1 59 59 THR HG22 H 1 1.328 0.03 . 1 . . . . 57 THR HG2 . 7107 1 642 . 1 1 59 59 THR HG23 H 1 1.328 0.03 . 1 . . . . 57 THR HG2 . 7107 1 643 . 1 1 59 59 THR C C 13 175.900 0.4 . 1 . . . . 57 THR C . 7107 1 644 . 1 1 59 59 THR CA C 13 65.628 0.4 . 1 . . . . 57 THR CA . 7107 1 645 . 1 1 59 59 THR CB C 13 68.788 0.4 . 1 . . . . 57 THR CB . 7107 1 646 . 1 1 59 59 THR CG2 C 13 22.432 0.4 . 1 . . . . 57 THR CG2 . 7107 1 647 . 1 1 60 60 LEU H H 1 7.838 0.03 . 1 . . . . 58 LEU H . 7107 1 648 . 1 1 60 60 LEU HA H 1 4.455 0.03 . 1 . . . . 58 LEU HA . 7107 1 649 . 1 1 60 60 LEU HB2 H 1 1.701 0.03 . 1 . . . . 58 LEU HB2 . 7107 1 650 . 1 1 60 60 LEU HB3 H 1 1.701 0.03 . 1 . . . . 58 LEU HB3 . 7107 1 651 . 1 1 60 60 LEU HD11 H 1 1.005 0.03 . 1 . . . . 58 LEU HD1 . 7107 1 652 . 1 1 60 60 LEU HD12 H 1 1.005 0.03 . 1 . . . . 58 LEU HD1 . 7107 1 653 . 1 1 60 60 LEU HD13 H 1 1.005 0.03 . 1 . . . . 58 LEU HD1 . 7107 1 654 . 1 1 60 60 LEU HD21 H 1 0.910 0.03 . 1 . . . . 58 LEU HD2 . 7107 1 655 . 1 1 60 60 LEU HD22 H 1 0.910 0.03 . 1 . . . . 58 LEU HD2 . 7107 1 656 . 1 1 60 60 LEU HD23 H 1 0.910 0.03 . 1 . . . . 58 LEU HD2 . 7107 1 657 . 1 1 60 60 LEU C C 13 176.600 0.4 . 1 . . . . 58 LEU C . 7107 1 658 . 1 1 60 60 LEU CA C 13 55.708 0.4 . 1 . . . . 58 LEU CA . 7107 1 659 . 1 1 60 60 LEU CB C 13 43.361 0.4 . 1 . . . . 58 LEU CB . 7107 1 660 . 1 1 60 60 LEU CD1 C 13 25.318 0.4 . 1 . . . . 58 LEU CD1 . 7107 1 661 . 1 1 60 60 LEU CD2 C 13 23.490 0.4 . 1 . . . . 58 LEU CD2 . 7107 1 662 . 1 1 60 60 LEU N N 15 117.500 0.4 . 1 . . . . 58 LEU N . 7107 1 663 . 1 1 61 61 LYS H H 1 7.315 0.03 . 1 . . . . 59 LYS H . 7107 1 664 . 1 1 61 61 LYS HA H 1 4.563 0.03 . 1 . . . . 59 LYS HA . 7107 1 665 . 1 1 61 61 LYS HB2 H 1 1.562 0.03 . 2 . . . . 59 LYS HB2 . 7107 1 666 . 1 1 61 61 LYS HB3 H 1 1.934 0.03 . 2 . . . . 59 LYS HB3 . 7107 1 667 . 1 1 61 61 LYS C C 13 173.800 0.4 . 1 . . . . 59 LYS C . 7107 1 668 . 1 1 61 61 LYS CA C 13 55.761 0.4 . 1 . . . . 59 LYS CA . 7107 1 669 . 1 1 61 61 LYS CB C 13 33.863 0.4 . 1 . . . . 59 LYS CB . 7107 1 670 . 1 1 61 61 LYS N N 15 117.700 0.4 . 1 . . . . 59 LYS N . 7107 1 671 . 1 1 62 62 THR H H 1 8.842 0.03 . 1 . . . . 60 THR H . 7107 1 672 . 1 1 62 62 THR HA H 1 5.786 0.03 . 1 . . . . 60 THR HA . 7107 1 673 . 1 1 62 62 THR HB H 1 4.065 0.03 . 1 . . . . 60 THR HB . 7107 1 674 . 1 1 62 62 THR HG21 H 1 1.286 0.03 . 1 . . . . 60 THR HG2 . 7107 1 675 . 1 1 62 62 THR HG22 H 1 1.286 0.03 . 1 . . . . 60 THR HG2 . 7107 1 676 . 1 1 62 62 THR HG23 H 1 1.286 0.03 . 1 . . . . 60 THR HG2 . 7107 1 677 . 1 1 62 62 THR C C 13 174.100 0.4 . 1 . . . . 60 THR C . 7107 1 678 . 1 1 62 62 THR CA C 13 61.412 0.4 . 1 . . . . 60 THR CA . 7107 1 679 . 1 1 62 62 THR CB C 13 72.087 0.4 . 1 . . . . 60 THR CB . 7107 1 680 . 1 1 62 62 THR CG2 C 13 21.628 0.4 . 1 . . . . 60 THR CG2 . 7107 1 681 . 1 1 62 62 THR N N 15 125.400 0.4 . 1 . . . . 60 THR N . 7107 1 682 . 1 1 63 63 THR H H 1 9.284 0.03 . 1 . . . . 61 THR H . 7107 1 683 . 1 1 63 63 THR HA H 1 4.820 0.03 . 1 . . . . 61 THR HA . 7107 1 684 . 1 1 63 63 THR HB H 1 4.306 0.03 . 1 . . . . 61 THR HB . 7107 1 685 . 1 1 63 63 THR HG21 H 1 1.075 0.03 . 1 . . . . 61 THR HG2 . 7107 1 686 . 1 1 63 63 THR HG22 H 1 1.075 0.03 . 1 . . . . 61 THR HG2 . 7107 1 687 . 1 1 63 63 THR HG23 H 1 1.075 0.03 . 1 . . . . 61 THR HG2 . 7107 1 688 . 1 1 63 63 THR C C 13 172.800 0.4 . 1 . . . . 61 THR C . 7107 1 689 . 1 1 63 63 THR CA C 13 59.474 0.4 . 1 . . . . 61 THR CA . 7107 1 690 . 1 1 63 63 THR CB C 13 72.168 0.4 . 1 . . . . 61 THR CB . 7107 1 691 . 1 1 63 63 THR N N 15 117.500 0.4 . 1 . . . . 61 THR N . 7107 1 692 . 1 1 64 64 GLN H H 1 8.514 0.03 . 1 . . . . 62 GLN H . 7107 1 693 . 1 1 64 64 GLN HA H 1 5.395 0.03 . 1 . . . . 62 GLN HA . 7107 1 694 . 1 1 64 64 GLN HB2 H 1 2.028 0.03 . 1 . . . . 62 GLN HB2 . 7107 1 695 . 1 1 64 64 GLN HB3 H 1 2.028 0.03 . 1 . . . . 62 GLN HB3 . 7107 1 696 . 1 1 64 64 GLN HG2 H 1 2.214 0.03 . 1 . . . . 62 GLN HG2 . 7107 1 697 . 1 1 64 64 GLN HG3 H 1 2.214 0.03 . 1 . . . . 62 GLN HG3 . 7107 1 698 . 1 1 64 64 GLN HE21 H 1 7.477 0.03 . 1 . . . . 62 GLN HE21 . 7107 1 699 . 1 1 64 64 GLN HE22 H 1 6.797 0.03 . 1 . . . . 62 GLN HE22 . 7107 1 700 . 1 1 64 64 GLN C C 13 174.000 0.4 . 1 . . . . 62 GLN C . 7107 1 701 . 1 1 64 64 GLN CA C 13 55.373 0.4 . 1 . . . . 62 GLN CA . 7107 1 702 . 1 1 64 64 GLN CB C 13 32.328 0.4 . 1 . . . . 62 GLN CB . 7107 1 703 . 1 1 64 64 GLN CG C 13 35.425 0.4 . 1 . . . . 62 GLN CG . 7107 1 704 . 1 1 64 64 GLN N N 15 117.700 0.4 . 1 . . . . 62 GLN N . 7107 1 705 . 1 1 64 64 GLN NE2 N 15 111.700 0.4 . 1 . . . . 62 GLN NE2 . 7107 1 706 . 1 1 65 65 PHE H H 1 7.968 0.03 . 1 . . . . 63 PHE H . 7107 1 707 . 1 1 65 65 PHE HA H 1 5.095 0.03 . 1 . . . . 63 PHE HA . 7107 1 708 . 1 1 65 65 PHE HB2 H 1 3.314 0.03 . 2 . . . . 63 PHE HB2 . 7107 1 709 . 1 1 65 65 PHE HB3 H 1 3.352 0.03 . 2 . . . . 63 PHE HB3 . 7107 1 710 . 1 1 65 65 PHE HD1 H 1 6.884 0.03 . 1 . . . . 63 PHE HD1 . 7107 1 711 . 1 1 65 65 PHE HD2 H 1 6.884 0.03 . 1 . . . . 63 PHE HD2 . 7107 1 712 . 1 1 65 65 PHE HE1 H 1 7.134 0.03 . 1 . . . . 63 PHE HE1 . 7107 1 713 . 1 1 65 65 PHE HE2 H 1 7.134 0.03 . 1 . . . . 63 PHE HE2 . 7107 1 714 . 1 1 65 65 PHE C C 13 172.400 0.4 . 1 . . . . 63 PHE C . 7107 1 715 . 1 1 65 65 PHE CA C 13 56.602 0.4 . 1 . . . . 63 PHE CA . 7107 1 716 . 1 1 65 65 PHE CB C 13 42.027 0.4 . 1 . . . . 63 PHE CB . 7107 1 717 . 1 1 65 65 PHE CD1 C 13 133.000 0.4 . 1 . . . . 63 PHE CD1 . 7107 1 718 . 1 1 65 65 PHE CD2 C 13 133.000 0.4 . 1 . . . . 63 PHE CD2 . 7107 1 719 . 1 1 65 65 PHE N N 15 118.200 0.4 . 1 . . . . 63 PHE N . 7107 1 720 . 1 1 66 66 SER H H 1 8.262 0.03 . 1 . . . . 64 SER H . 7107 1 721 . 1 1 66 66 SER HA H 1 5.619 0.03 . 1 . . . . 64 SER HA . 7107 1 722 . 1 1 66 66 SER HB2 H 1 3.530 0.03 . 2 . . . . 64 SER HB2 . 7107 1 723 . 1 1 66 66 SER HB3 H 1 3.817 0.03 . 2 . . . . 64 SER HB3 . 7107 1 724 . 1 1 66 66 SER C C 13 172.400 0.4 . 1 . . . . 64 SER C . 7107 1 725 . 1 1 66 66 SER CA C 13 56.666 0.4 . 1 . . . . 64 SER CA . 7107 1 726 . 1 1 66 66 SER CB C 13 65.938 0.4 . 1 . . . . 64 SER CB . 7107 1 727 . 1 1 66 66 SER N N 15 114.800 0.4 . 1 . . . . 64 SER N . 7107 1 728 . 1 1 67 67 CYS H H 1 9.311 0.03 . 1 . . . . 65 CYS H . 7107 1 729 . 1 1 67 67 CYS HA H 1 4.751 0.03 . 1 . . . . 65 CYS HA . 7107 1 730 . 1 1 67 67 CYS HB2 H 1 1.530 0.03 . 2 . . . . 65 CYS HB2 . 7107 1 731 . 1 1 67 67 CYS HB3 H 1 2.619 0.03 . 2 . . . . 65 CYS HB3 . 7107 1 732 . 1 1 67 67 CYS C C 13 172.800 0.4 . 1 . . . . 65 CYS C . 7107 1 733 . 1 1 67 67 CYS CA C 13 55.508 0.4 . 1 . . . . 65 CYS CA . 7107 1 734 . 1 1 67 67 CYS CB C 13 32.700 0.4 . 1 . . . . 65 CYS CB . 7107 1 735 . 1 1 67 67 CYS N N 15 117.400 0.4 . 1 . . . . 65 CYS N . 7107 1 736 . 1 1 68 68 THR H H 1 9.149 0.03 . 1 . . . . 66 THR H . 7107 1 737 . 1 1 68 68 THR HA H 1 4.968 0.03 . 1 . . . . 66 THR HA . 7107 1 738 . 1 1 68 68 THR HB H 1 3.849 0.03 . 1 . . . . 66 THR HB . 7107 1 739 . 1 1 68 68 THR HG21 H 1 1.267 0.03 . 1 . . . . 66 THR HG2 . 7107 1 740 . 1 1 68 68 THR HG22 H 1 1.267 0.03 . 1 . . . . 66 THR HG2 . 7107 1 741 . 1 1 68 68 THR HG23 H 1 1.267 0.03 . 1 . . . . 66 THR HG2 . 7107 1 742 . 1 1 68 68 THR C C 13 175.800 0.4 . 1 . . . . 66 THR C . 7107 1 743 . 1 1 68 68 THR CA C 13 61.330 0.4 . 1 . . . . 66 THR CA . 7107 1 744 . 1 1 68 68 THR CB C 13 70.381 0.4 . 1 . . . . 66 THR CB . 7107 1 745 . 1 1 68 68 THR CG2 C 13 21.986 0.4 . 1 . . . . 66 THR CG2 . 7107 1 746 . 1 1 68 68 THR N N 15 118.600 0.4 . 1 . . . . 66 THR N . 7107 1 747 . 1 1 69 69 LEU H H 1 9.142 0.03 . 1 . . . . 67 LEU H . 7107 1 748 . 1 1 69 69 LEU HA H 1 4.164 0.03 . 1 . . . . 67 LEU HA . 7107 1 749 . 1 1 69 69 LEU HB2 H 1 1.652 0.03 . 2 . . . . 67 LEU HB2 . 7107 1 750 . 1 1 69 69 LEU HB3 H 1 1.869 0.03 . 2 . . . . 67 LEU HB3 . 7107 1 751 . 1 1 69 69 LEU HG H 1 1.653 0.03 . 1 . . . . 67 LEU HG . 7107 1 752 . 1 1 69 69 LEU HD11 H 1 0.839 0.03 . 1 . . . . 67 LEU HD1 . 7107 1 753 . 1 1 69 69 LEU HD12 H 1 0.839 0.03 . 1 . . . . 67 LEU HD1 . 7107 1 754 . 1 1 69 69 LEU HD13 H 1 0.839 0.03 . 1 . . . . 67 LEU HD1 . 7107 1 755 . 1 1 69 69 LEU HD21 H 1 0.700 0.03 . 1 . . . . 67 LEU HD2 . 7107 1 756 . 1 1 69 69 LEU HD22 H 1 0.700 0.03 . 1 . . . . 67 LEU HD2 . 7107 1 757 . 1 1 69 69 LEU HD23 H 1 0.700 0.03 . 1 . . . . 67 LEU HD2 . 7107 1 758 . 1 1 69 69 LEU C C 13 178.100 0.4 . 1 . . . . 67 LEU C . 7107 1 759 . 1 1 69 69 LEU CA C 13 57.194 0.4 . 1 . . . . 67 LEU CA . 7107 1 760 . 1 1 69 69 LEU CB C 13 40.500 0.4 . 1 . . . . 67 LEU CB . 7107 1 761 . 1 1 69 69 LEU CG C 13 27.125 0.4 . 1 . . . . 67 LEU CG . 7107 1 762 . 1 1 69 69 LEU CD1 C 13 25.830 0.4 . 1 . . . . 67 LEU CD1 . 7107 1 763 . 1 1 69 69 LEU CD2 C 13 23.985 0.4 . 1 . . . . 67 LEU CD2 . 7107 1 764 . 1 1 69 69 LEU N N 15 128.100 0.4 . 1 . . . . 67 LEU N . 7107 1 765 . 1 1 70 70 GLY H H 1 9.170 0.03 . 1 . . . . 68 GLY H . 7107 1 766 . 1 1 70 70 GLY HA2 H 1 3.770 0.03 . 2 . . . . 68 GLY HA2 . 7107 1 767 . 1 1 70 70 GLY HA3 H 1 4.350 0.03 . 2 . . . . 68 GLY HA3 . 7107 1 768 . 1 1 70 70 GLY C C 13 173.700 0.4 . 1 . . . . 68 GLY C . 7107 1 769 . 1 1 70 70 GLY CA C 13 45.500 0.4 . 1 . . . . 68 GLY CA . 7107 1 770 . 1 1 70 70 GLY N N 15 110.100 0.4 . 1 . . . . 68 GLY N . 7107 1 771 . 1 1 71 71 GLU H H 1 7.904 0.03 . 1 . . . . 69 GLU H . 7107 1 772 . 1 1 71 71 GLU HA H 1 4.847 0.03 . 1 . . . . 69 GLU HA . 7107 1 773 . 1 1 71 71 GLU HB2 H 1 2.013 0.03 . 2 . . . . 69 GLU HB2 . 7107 1 774 . 1 1 71 71 GLU HB3 H 1 2.183 0.03 . 2 . . . . 69 GLU HB3 . 7107 1 775 . 1 1 71 71 GLU HG2 H 1 2.270 0.03 . 1 . . . . 69 GLU HG2 . 7107 1 776 . 1 1 71 71 GLU HG3 H 1 2.270 0.03 . 1 . . . . 69 GLU HG3 . 7107 1 777 . 1 1 71 71 GLU C C 13 176.500 0.4 . 1 . . . . 69 GLU C . 7107 1 778 . 1 1 71 71 GLU CA C 13 54.948 0.4 . 1 . . . . 69 GLU CA . 7107 1 779 . 1 1 71 71 GLU CB C 13 31.300 0.4 . 1 . . . . 69 GLU CB . 7107 1 780 . 1 1 71 71 GLU N N 15 120.200 0.4 . 1 . . . . 69 GLU N . 7107 1 781 . 1 1 72 72 LYS H H 1 9.021 0.03 . 1 . . . . 70 LYS H . 7107 1 782 . 1 1 72 72 LYS HA H 1 5.025 0.03 . 1 . . . . 70 LYS HA . 7107 1 783 . 1 1 72 72 LYS HB2 H 1 1.781 0.03 . 1 . . . . 70 LYS HB2 . 7107 1 784 . 1 1 72 72 LYS HB3 H 1 1.781 0.03 . 1 . . . . 70 LYS HB3 . 7107 1 785 . 1 1 72 72 LYS HG2 H 1 1.454 0.03 . 1 . . . . 70 LYS HG2 . 7107 1 786 . 1 1 72 72 LYS HG3 H 1 1.454 0.03 . 1 . . . . 70 LYS HG3 . 7107 1 787 . 1 1 72 72 LYS HD2 H 1 1.661 0.03 . 1 . . . . 70 LYS HD2 . 7107 1 788 . 1 1 72 72 LYS HD3 H 1 1.661 0.03 . 1 . . . . 70 LYS HD3 . 7107 1 789 . 1 1 72 72 LYS HE2 H 1 2.954 0.03 . 1 . . . . 70 LYS HE2 . 7107 1 790 . 1 1 72 72 LYS HE3 H 1 2.954 0.03 . 1 . . . . 70 LYS HE3 . 7107 1 791 . 1 1 72 72 LYS C C 13 175.700 0.4 . 1 . . . . 70 LYS C . 7107 1 792 . 1 1 72 72 LYS CA C 13 57.150 0.4 . 1 . . . . 70 LYS CA . 7107 1 793 . 1 1 72 72 LYS CB C 13 32.900 0.4 . 1 . . . . 70 LYS CB . 7107 1 794 . 1 1 72 72 LYS CG C 13 24.800 0.4 . 1 . . . . 70 LYS CG . 7107 1 795 . 1 1 72 72 LYS CD C 13 29.404 0.4 . 1 . . . . 70 LYS CD . 7107 1 796 . 1 1 72 72 LYS CE C 13 41.750 0.4 . 1 . . . . 70 LYS CE . 7107 1 797 . 1 1 72 72 LYS N N 15 130.400 0.4 . 1 . . . . 70 LYS N . 7107 1 798 . 1 1 73 73 PHE H H 1 9.473 0.03 . 1 . . . . 71 PHE H . 7107 1 799 . 1 1 73 73 PHE HA H 1 5.095 0.03 . 1 . . . . 71 PHE HA . 7107 1 800 . 1 1 73 73 PHE HB2 H 1 3.142 0.03 . 2 . . . . 71 PHE HB2 . 7107 1 801 . 1 1 73 73 PHE HB3 H 1 3.322 0.03 . 2 . . . . 71 PHE HB3 . 7107 1 802 . 1 1 73 73 PHE HD1 H 1 7.382 0.03 . 1 . . . . 71 PHE HD1 . 7107 1 803 . 1 1 73 73 PHE HD2 H 1 7.382 0.03 . 1 . . . . 71 PHE HD2 . 7107 1 804 . 1 1 73 73 PHE C C 13 171.800 0.4 . 1 . . . . 71 PHE C . 7107 1 805 . 1 1 73 73 PHE CA C 13 55.784 0.4 . 1 . . . . 71 PHE CA . 7107 1 806 . 1 1 73 73 PHE CB C 13 41.886 0.4 . 1 . . . . 71 PHE CB . 7107 1 807 . 1 1 73 73 PHE CD1 C 13 133.600 0.4 . 1 . . . . 71 PHE CD1 . 7107 1 808 . 1 1 73 73 PHE CD2 C 13 133.600 0.4 . 1 . . . . 71 PHE CD2 . 7107 1 809 . 1 1 73 73 PHE N N 15 122.900 0.4 . 1 . . . . 71 PHE N . 7107 1 810 . 1 1 74 74 GLU H H 1 8.559 0.03 . 1 . . . . 72 GLU H . 7107 1 811 . 1 1 74 74 GLU HA H 1 3.868 0.03 . 1 . . . . 72 GLU HA . 7107 1 812 . 1 1 74 74 GLU HB2 H 1 1.718 0.03 . 2 . . . . 72 GLU HB2 . 7107 1 813 . 1 1 74 74 GLU HB3 H 1 1.911 0.03 . 2 . . . . 72 GLU HB3 . 7107 1 814 . 1 1 74 74 GLU HG2 H 1 2.921 0.03 . 1 . . . . 72 GLU HG2 . 7107 1 815 . 1 1 74 74 GLU HG3 H 1 2.921 0.03 . 1 . . . . 72 GLU HG3 . 7107 1 816 . 1 1 74 74 GLU C C 13 180.600 0.4 . 1 . . . . 72 GLU C . 7107 1 817 . 1 1 74 74 GLU CA C 13 60.27 0.4 . 1 . . . . 72 GLU CA . 7107 1 818 . 1 1 74 74 GLU CB C 13 32.034 0.4 . 1 . . . . 72 GLU CB . 7107 1 819 . 1 1 74 74 GLU N N 15 119.700 0.4 . 1 . . . . 72 GLU N . 7107 1 820 . 1 1 75 75 GLU H H 1 7.844 0.03 . 1 . . . . 73 GLU H . 7107 1 821 . 1 1 75 75 GLU HA H 1 3.969 0.03 . 1 . . . . 73 GLU HA . 7107 1 822 . 1 1 75 75 GLU HB2 H 1 2.120 0.03 . 1 . . . . 73 GLU HB2 . 7107 1 823 . 1 1 75 75 GLU HB3 H 1 2.120 0.03 . 1 . . . . 73 GLU HB3 . 7107 1 824 . 1 1 75 75 GLU HG2 H 1 2.474 0.03 . 1 . . . . 73 GLU HG2 . 7107 1 825 . 1 1 75 75 GLU HG3 H 1 2.474 0.03 . 1 . . . . 73 GLU HG3 . 7107 1 826 . 1 1 75 75 GLU C C 13 178.000 0.4 . 1 . . . . 73 GLU C . 7107 1 827 . 1 1 75 75 GLU CA C 13 58.764 0.4 . 1 . . . . 73 GLU CA . 7107 1 828 . 1 1 75 75 GLU CB C 13 28.800 0.4 . 1 . . . . 73 GLU CB . 7107 1 829 . 1 1 75 75 GLU CG C 13 34.977 0.4 . 1 . . . . 73 GLU CG . 7107 1 830 . 1 1 75 75 GLU N N 15 124.100 0.4 . 1 . . . . 73 GLU N . 7107 1 831 . 1 1 76 76 THR HA H 1 5.253 0.03 . 1 . . . . 74 THR HA . 7107 1 832 . 1 1 76 76 THR HB H 1 4.098 0.03 . 1 . . . . 74 THR HB . 7107 1 833 . 1 1 76 76 THR HG21 H 1 1.134 0.03 . 1 . . . . 74 THR HG2 . 7107 1 834 . 1 1 76 76 THR HG22 H 1 1.134 0.03 . 1 . . . . 74 THR HG2 . 7107 1 835 . 1 1 76 76 THR HG23 H 1 1.134 0.03 . 1 . . . . 74 THR HG2 . 7107 1 836 . 1 1 76 76 THR C C 13 176.200 0.4 . 1 . . . . 74 THR C . 7107 1 837 . 1 1 76 76 THR CA C 13 61.735 0.4 . 1 . . . . 74 THR CA . 7107 1 838 . 1 1 76 76 THR CB C 13 68.978 0.4 . 1 . . . . 74 THR CB . 7107 1 839 . 1 1 76 76 THR CG2 C 13 20.730 0.4 . 1 . . . . 74 THR CG2 . 7107 1 840 . 1 1 77 77 THR H H 1 8.890 0.03 . 1 . . . . 75 THR H . 7107 1 841 . 1 1 77 77 THR HA H 1 4.428 0.03 . 1 . . . . 75 THR HA . 7107 1 842 . 1 1 77 77 THR HB H 1 4.330 0.03 . 1 . . . . 75 THR HB . 7107 1 843 . 1 1 77 77 THR HG21 H 1 0.640 0.03 . 1 . . . . 75 THR HG2 . 7107 1 844 . 1 1 77 77 THR HG22 H 1 0.640 0.03 . 1 . . . . 75 THR HG2 . 7107 1 845 . 1 1 77 77 THR HG23 H 1 0.640 0.03 . 1 . . . . 75 THR HG2 . 7107 1 846 . 1 1 77 77 THR C C 13 177.300 0.4 . 1 . . . . 75 THR C . 7107 1 847 . 1 1 77 77 THR CA C 13 61.472 0.4 . 1 . . . . 75 THR CA . 7107 1 848 . 1 1 77 77 THR CB C 13 70.422 0.4 . 1 . . . . 75 THR CB . 7107 1 849 . 1 1 77 77 THR CG2 C 13 22.316 0.4 . 1 . . . . 75 THR CG2 . 7107 1 850 . 1 1 77 77 THR N N 15 120.300 0.4 . 1 . . . . 75 THR N . 7107 1 851 . 1 1 78 78 ALA H H 1 9.807 0.03 . 1 . . . . 76 ALA H . 7107 1 852 . 1 1 78 78 ALA HA H 1 3.542 0.03 . 1 . . . . 76 ALA HA . 7107 1 853 . 1 1 78 78 ALA HB1 H 1 0.456 0.03 . 1 . . . . 76 ALA HB . 7107 1 854 . 1 1 78 78 ALA HB2 H 1 0.456 0.03 . 1 . . . . 76 ALA HB . 7107 1 855 . 1 1 78 78 ALA HB3 H 1 0.456 0.03 . 1 . . . . 76 ALA HB . 7107 1 856 . 1 1 78 78 ALA C C 13 177.000 0.4 . 1 . . . . 76 ALA C . 7107 1 857 . 1 1 78 78 ALA CA C 13 54.891 0.4 . 1 . . . . 76 ALA CA . 7107 1 858 . 1 1 78 78 ALA CB C 13 18.059 0.4 . 1 . . . . 76 ALA CB . 7107 1 859 . 1 1 78 78 ALA N N 15 125.000 0.4 . 1 . . . . 76 ALA N . 7107 1 860 . 1 1 79 79 ASP H H 1 9.173 0.03 . 1 . . . . 77 ASP H . 7107 1 861 . 1 1 79 79 ASP HA H 1 4.202 0.03 . 1 . . . . 77 ASP HA . 7107 1 862 . 1 1 79 79 ASP HB2 H 1 2.316 0.03 . 2 . . . . 77 ASP HB2 . 7107 1 863 . 1 1 79 79 ASP HB3 H 1 2.755 0.03 . 2 . . . . 77 ASP HB3 . 7107 1 864 . 1 1 79 79 ASP C C 13 174.800 0.4 . 1 . . . . 77 ASP C . 7107 1 865 . 1 1 79 79 ASP CA C 13 52.448 0.4 . 1 . . . . 77 ASP CA . 7107 1 866 . 1 1 79 79 ASP CB C 13 39.489 0.4 . 1 . . . . 77 ASP CB . 7107 1 867 . 1 1 79 79 ASP N N 15 107.500 0.4 . 1 . . . . 77 ASP N . 7107 1 868 . 1 1 80 80 GLY H H 1 7.614 0.03 . 1 . . . . 78 GLY H . 7107 1 869 . 1 1 80 80 GLY HA2 H 1 3.370 0.03 . 2 . . . . 78 GLY HA2 . 7107 1 870 . 1 1 80 80 GLY HA3 H 1 4.040 0.03 . 2 . . . . 78 GLY HA3 . 7107 1 871 . 1 1 80 80 GLY C C 13 175.500 0.4 . 1 . . . . 78 GLY C . 7107 1 872 . 1 1 80 80 GLY CA C 13 45.400 0.4 . 1 . . . . 78 GLY CA . 7107 1 873 . 1 1 80 80 GLY N N 15 108.000 0.4 . 1 . . . . 78 GLY N . 7107 1 874 . 1 1 81 81 ARG H H 1 7.177 0.03 . 1 . . . . 79 ARG H . 7107 1 875 . 1 1 81 81 ARG HA H 1 3.984 0.03 . 1 . . . . 79 ARG HA . 7107 1 876 . 1 1 81 81 ARG HB2 H 1 0.584 0.03 . 2 . . . . 79 ARG HB2 . 7107 1 877 . 1 1 81 81 ARG HB3 H 1 1.470 0.03 . 2 . . . . 79 ARG HB3 . 7107 1 878 . 1 1 81 81 ARG HD2 H 1 2.583 0.03 . 1 . . . . 79 ARG HD2 . 7107 1 879 . 1 1 81 81 ARG HD3 H 1 2.583 0.03 . 1 . . . . 79 ARG HD3 . 7107 1 880 . 1 1 81 81 ARG C C 13 175.400 0.4 . 1 . . . . 79 ARG C . 7107 1 881 . 1 1 81 81 ARG CA C 13 55.964 0.4 . 1 . . . . 79 ARG CA . 7107 1 882 . 1 1 81 81 ARG CB C 13 30.900 0.4 . 1 . . . . 79 ARG CB . 7107 1 883 . 1 1 81 81 ARG CD C 13 43.024 0.4 . 1 . . . . 79 ARG CD . 7107 1 884 . 1 1 81 81 ARG N N 15 119.000 0.4 . 1 . . . . 79 ARG N . 7107 1 885 . 1 1 82 82 LYS H H 1 7.996 0.03 . 1 . . . . 80 LYS H . 7107 1 886 . 1 1 82 82 LYS HA H 1 5.370 0.03 . 1 . . . . 80 LYS HA . 7107 1 887 . 1 1 82 82 LYS HB2 H 1 1.550 0.03 . 2 . . . . 80 LYS HB2 . 7107 1 888 . 1 1 82 82 LYS HB3 H 1 1.689 0.03 . 2 . . . . 80 LYS HB3 . 7107 1 889 . 1 1 82 82 LYS HG2 H 1 1.315 0.03 . 2 . . . . 80 LYS HG2 . 7107 1 890 . 1 1 82 82 LYS HG3 H 1 1.393 0.03 . 2 . . . . 80 LYS HG3 . 7107 1 891 . 1 1 82 82 LYS HD2 H 1 1.573 0.03 . 2 . . . . 80 LYS HD2 . 7107 1 892 . 1 1 82 82 LYS HD3 H 1 1.678 0.03 . 2 . . . . 80 LYS HD3 . 7107 1 893 . 1 1 82 82 LYS HE2 H 1 2.942 0.03 . 1 . . . . 80 LYS HE2 . 7107 1 894 . 1 1 82 82 LYS HE3 H 1 2.942 0.03 . 1 . . . . 80 LYS HE3 . 7107 1 895 . 1 1 82 82 LYS C C 13 176.900 0.4 . 1 . . . . 80 LYS C . 7107 1 896 . 1 1 82 82 LYS CA C 13 54.388 0.4 . 1 . . . . 80 LYS CA . 7107 1 897 . 1 1 82 82 LYS CB C 13 32.211 0.4 . 1 . . . . 80 LYS CB . 7107 1 898 . 1 1 82 82 LYS CG C 13 24.636 0.4 . 1 . . . . 80 LYS CG . 7107 1 899 . 1 1 82 82 LYS CD C 13 29.122 0.4 . 1 . . . . 80 LYS CD . 7107 1 900 . 1 1 82 82 LYS CE C 13 42.093 0.4 . 1 . . . . 80 LYS CE . 7107 1 901 . 1 1 82 82 LYS N N 15 121.200 0.4 . 1 . . . . 80 LYS N . 7107 1 902 . 1 1 83 83 THR H H 1 9.120 0.03 . 1 . . . . 81 THR H . 7107 1 903 . 1 1 83 83 THR HA H 1 4.872 0.03 . 1 . . . . 81 THR HA . 7107 1 904 . 1 1 83 83 THR HB H 1 4.016 0.03 . 1 . . . . 81 THR HB . 7107 1 905 . 1 1 83 83 THR HG21 H 1 0.376 0.03 . 1 . . . . 81 THR HG2 . 7107 1 906 . 1 1 83 83 THR HG22 H 1 0.376 0.03 . 1 . . . . 81 THR HG2 . 7107 1 907 . 1 1 83 83 THR HG23 H 1 0.376 0.03 . 1 . . . . 81 THR HG2 . 7107 1 908 . 1 1 83 83 THR C C 13 173.900 0.4 . 1 . . . . 81 THR C . 7107 1 909 . 1 1 83 83 THR CA C 13 59.880 0.4 . 1 . . . . 81 THR CA . 7107 1 910 . 1 1 83 83 THR CB C 13 70.000 0.4 . 1 . . . . 81 THR CB . 7107 1 911 . 1 1 83 83 THR CG2 C 13 21.722 0.4 . 1 . . . . 81 THR CG2 . 7107 1 912 . 1 1 83 83 THR N N 15 115.300 0.4 . 1 . . . . 81 THR N . 7107 1 913 . 1 1 84 84 GLN H H 1 9.017 0.03 . 1 . . . . 82 GLN H . 7107 1 914 . 1 1 84 84 GLN HA H 1 4.784 0.03 . 1 . . . . 82 GLN HA . 7107 1 915 . 1 1 84 84 GLN HB2 H 1 1.944 0.03 . 2 . . . . 82 GLN HB2 . 7107 1 916 . 1 1 84 84 GLN HB3 H 1 2.160 0.03 . 2 . . . . 82 GLN HB3 . 7107 1 917 . 1 1 84 84 GLN HG2 H 1 2.406 0.03 . 1 . . . . 82 GLN HG2 . 7107 1 918 . 1 1 84 84 GLN HG3 H 1 2.406 0.03 . 1 . . . . 82 GLN HG3 . 7107 1 919 . 1 1 84 84 GLN HE21 H 1 7.720 0.03 . 1 . . . . 82 GLN HE21 . 7107 1 920 . 1 1 84 84 GLN HE22 H 1 6.912 0.03 . 1 . . . . 82 GLN HE22 . 7107 1 921 . 1 1 84 84 GLN C C 13 176.000 0.4 . 1 . . . . 82 GLN C . 7107 1 922 . 1 1 84 84 GLN CA C 13 54.778 0.4 . 1 . . . . 82 GLN CA . 7107 1 923 . 1 1 84 84 GLN CB C 13 29.210 0.4 . 1 . . . . 82 GLN CB . 7107 1 924 . 1 1 84 84 GLN CG C 13 33.871 0.4 . 1 . . . . 82 GLN CG . 7107 1 925 . 1 1 84 84 GLN N N 15 119.900 0.4 . 1 . . . . 82 GLN N . 7107 1 926 . 1 1 84 84 GLN NE2 N 15 112.800 0.4 . 1 . . . . 82 GLN NE2 . 7107 1 927 . 1 1 85 85 THR H H 1 9.250 0.03 . 1 . . . . 83 THR H . 7107 1 928 . 1 1 85 85 THR HA H 1 5.721 0.03 . 1 . . . . 83 THR HA . 7107 1 929 . 1 1 85 85 THR HB H 1 2.289 0.03 . 1 . . . . 83 THR HB . 7107 1 930 . 1 1 85 85 THR HG21 H 1 0.878 0.03 . 1 . . . . 83 THR HG2 . 7107 1 931 . 1 1 85 85 THR HG22 H 1 0.878 0.03 . 1 . . . . 83 THR HG2 . 7107 1 932 . 1 1 85 85 THR HG23 H 1 0.878 0.03 . 1 . . . . 83 THR HG2 . 7107 1 933 . 1 1 85 85 THR C C 13 171.700 0.4 . 1 . . . . 83 THR C . 7107 1 934 . 1 1 85 85 THR CA C 13 60.028 0.4 . 1 . . . . 83 THR CA . 7107 1 935 . 1 1 85 85 THR CB C 13 70.398 0.4 . 1 . . . . 83 THR CB . 7107 1 936 . 1 1 85 85 THR CG2 C 13 25.590 0.4 . 1 . . . . 83 THR CG2 . 7107 1 937 . 1 1 85 85 THR N N 15 127.000 0.4 . 1 . . . . 83 THR N . 7107 1 938 . 1 1 86 86 VAL H H 1 8.373 0.03 . 1 . . . . 84 VAL H . 7107 1 939 . 1 1 86 86 VAL HA H 1 4.547 0.03 . 1 . . . . 84 VAL HA . 7107 1 940 . 1 1 86 86 VAL HB H 1 1.990 0.03 . 1 . . . . 84 VAL HB . 7107 1 941 . 1 1 86 86 VAL HG11 H 1 0.998 0.03 . 2 . . . . 84 VAL HG1 . 7107 1 942 . 1 1 86 86 VAL HG12 H 1 0.998 0.03 . 2 . . . . 84 VAL HG1 . 7107 1 943 . 1 1 86 86 VAL HG13 H 1 0.998 0.03 . 2 . . . . 84 VAL HG1 . 7107 1 944 . 1 1 86 86 VAL HG21 H 1 0.926 0.03 . 2 . . . . 84 VAL HG2 . 7107 1 945 . 1 1 86 86 VAL HG22 H 1 0.926 0.03 . 2 . . . . 84 VAL HG2 . 7107 1 946 . 1 1 86 86 VAL HG23 H 1 0.926 0.03 . 2 . . . . 84 VAL HG2 . 7107 1 947 . 1 1 86 86 VAL C C 13 174.400 0.4 . 1 . . . . 84 VAL C . 7107 1 948 . 1 1 86 86 VAL CA C 13 61.302 0.4 . 1 . . . . 84 VAL CA . 7107 1 949 . 1 1 86 86 VAL CB C 13 35.879 0.4 . 1 . . . . 84 VAL CB . 7107 1 950 . 1 1 86 86 VAL CG1 C 13 19.900 0.4 . 2 . . . . 84 VAL CG1 . 7107 1 951 . 1 1 86 86 VAL CG2 C 13 21.299 0.4 . 2 . . . . 84 VAL CG2 . 7107 1 952 . 1 1 86 86 VAL N N 15 121.200 0.4 . 1 . . . . 84 VAL N . 7107 1 953 . 1 1 87 87 CYS H H 1 9.800 0.03 . 1 . . . . 85 CYS H . 7107 1 954 . 1 1 87 87 CYS HA H 1 6.019 0.03 . 1 . . . . 85 CYS HA . 7107 1 955 . 1 1 87 87 CYS HB2 H 1 2.530 0.03 . 2 . . . . 85 CYS HB2 . 7107 1 956 . 1 1 87 87 CYS HB3 H 1 2.940 0.03 . 2 . . . . 85 CYS HB3 . 7107 1 957 . 1 1 87 87 CYS C C 13 173.500 0.4 . 1 . . . . 85 CYS C . 7107 1 958 . 1 1 87 87 CYS CA C 13 56.533 0.4 . 1 . . . . 85 CYS CA . 7107 1 959 . 1 1 87 87 CYS CB C 13 30.400 0.4 . 1 . . . . 85 CYS CB . 7107 1 960 . 1 1 87 87 CYS N N 15 125.900 0.4 . 1 . . . . 85 CYS N . 7107 1 961 . 1 1 88 88 ASN H H 1 9.138 0.03 . 1 . . . . 86 ASN H . 7107 1 962 . 1 1 88 88 ASN HA H 1 5.054 0.03 . 1 . . . . 86 ASN HA . 7107 1 963 . 1 1 88 88 ASN HB2 H 1 2.570 0.03 . 1 . . . . 86 ASN HB2 . 7107 1 964 . 1 1 88 88 ASN HB3 H 1 2.570 0.03 . 1 . . . . 86 ASN HB3 . 7107 1 965 . 1 1 88 88 ASN HD21 H 1 7.864 0.03 . 1 . . . . 86 ASN HD21 . 7107 1 966 . 1 1 88 88 ASN HD22 H 1 6.993 0.03 . 1 . . . . 86 ASN HD22 . 7107 1 967 . 1 1 88 88 ASN C C 13 172.700 0.4 . 1 . . . . 86 ASN C . 7107 1 968 . 1 1 88 88 ASN CA C 13 52.679 0.4 . 1 . . . . 86 ASN CA . 7107 1 969 . 1 1 88 88 ASN CB C 13 43.688 0.4 . 1 . . . . 86 ASN CB . 7107 1 970 . 1 1 88 88 ASN N N 15 120.500 0.4 . 1 . . . . 86 ASN N . 7107 1 971 . 1 1 88 88 ASN ND2 N 15 114.600 0.4 . 1 . . . . 86 ASN ND2 . 7107 1 972 . 1 1 89 89 PHE H H 1 9.475 0.03 . 1 . . . . 87 PHE H . 7107 1 973 . 1 1 89 89 PHE HA H 1 5.594 0.03 . 1 . . . . 87 PHE HA . 7107 1 974 . 1 1 89 89 PHE HB2 H 1 2.518 0.03 . 2 . . . . 87 PHE HB2 . 7107 1 975 . 1 1 89 89 PHE HB3 H 1 3.311 0.03 . 2 . . . . 87 PHE HB3 . 7107 1 976 . 1 1 89 89 PHE HD1 H 1 7.032 0.03 . 1 . . . . 87 PHE HD1 . 7107 1 977 . 1 1 89 89 PHE HD2 H 1 7.032 0.03 . 1 . . . . 87 PHE HD2 . 7107 1 978 . 1 1 89 89 PHE HE1 H 1 7.083 0.03 . 1 . . . . 87 PHE HE1 . 7107 1 979 . 1 1 89 89 PHE HE2 H 1 7.083 0.03 . 1 . . . . 87 PHE HE2 . 7107 1 980 . 1 1 89 89 PHE C C 13 174.200 0.4 . 1 . . . . 87 PHE C . 7107 1 981 . 1 1 89 89 PHE CA C 13 57.196 0.4 . 1 . . . . 87 PHE CA . 7107 1 982 . 1 1 89 89 PHE CB C 13 40.313 0.4 . 1 . . . . 87 PHE CB . 7107 1 983 . 1 1 89 89 PHE CD1 C 13 131.900 0.4 . 1 . . . . 87 PHE CD1 . 7107 1 984 . 1 1 89 89 PHE CD2 C 13 131.900 0.4 . 1 . . . . 87 PHE CD2 . 7107 1 985 . 1 1 89 89 PHE N N 15 125.300 0.4 . 1 . . . . 87 PHE N . 7107 1 986 . 1 1 90 90 THR H H 1 8.712 0.03 . 1 . . . . 88 THR H . 7107 1 987 . 1 1 90 90 THR HA H 1 4.445 0.03 . 1 . . . . 88 THR HA . 7107 1 988 . 1 1 90 90 THR HB H 1 3.777 0.03 . 1 . . . . 88 THR HB . 7107 1 989 . 1 1 90 90 THR HG21 H 1 1.101 0.03 . 1 . . . . 88 THR HG2 . 7107 1 990 . 1 1 90 90 THR HG22 H 1 1.101 0.03 . 1 . . . . 88 THR HG2 . 7107 1 991 . 1 1 90 90 THR HG23 H 1 1.101 0.03 . 1 . . . . 88 THR HG2 . 7107 1 992 . 1 1 90 90 THR CA C 13 60.572 0.4 . 1 . . . . 88 THR CA . 7107 1 993 . 1 1 90 90 THR CB C 13 70.991 0.4 . 1 . . . . 88 THR CB . 7107 1 994 . 1 1 90 90 THR CG2 C 13 21.009 0.4 . 1 . . . . 88 THR CG2 . 7107 1 995 . 1 1 90 90 THR N N 15 123.900 0.4 . 1 . . . . 88 THR N . 7107 1 996 . 1 1 91 91 ASP HA H 1 4.200 0.03 . 1 . . . . 89 ASP HA . 7107 1 997 . 1 1 91 91 ASP HB2 H 1 2.440 0.03 . 2 . . . . 89 ASP HB2 . 7107 1 998 . 1 1 91 91 ASP HB3 H 1 2.858 0.03 . 2 . . . . 89 ASP HB3 . 7107 1 999 . 1 1 91 91 ASP C C 13 175.900 0.4 . 1 . . . . 89 ASP C . 7107 1 1000 . 1 1 91 91 ASP CA C 13 55.123 0.4 . 1 . . . . 89 ASP CA . 7107 1 1001 . 1 1 91 91 ASP CB C 13 39.625 0.4 . 1 . . . . 89 ASP CB . 7107 1 1002 . 1 1 92 92 GLY H H 1 7.950 0.03 . 1 . . . . 90 GLY H . 7107 1 1003 . 1 1 92 92 GLY HA2 H 1 3.340 0.03 . 2 . . . . 90 GLY HA2 . 7107 1 1004 . 1 1 92 92 GLY HA3 H 1 3.950 0.03 . 2 . . . . 90 GLY HA3 . 7107 1 1005 . 1 1 92 92 GLY C C 13 172.000 0.4 . 1 . . . . 90 GLY C . 7107 1 1006 . 1 1 92 92 GLY CA C 13 46.200 0.4 . 1 . . . . 90 GLY CA . 7107 1 1007 . 1 1 92 92 GLY N N 15 101.800 0.4 . 1 . . . . 90 GLY N . 7107 1 1008 . 1 1 93 93 ALA H H 1 7.170 0.03 . 1 . . . . 91 ALA H . 7107 1 1009 . 1 1 93 93 ALA HA H 1 4.644 0.03 . 1 . . . . 91 ALA HA . 7107 1 1010 . 1 1 93 93 ALA HB1 H 1 1.094 0.03 . 1 . . . . 91 ALA HB . 7107 1 1011 . 1 1 93 93 ALA HB2 H 1 1.094 0.03 . 1 . . . . 91 ALA HB . 7107 1 1012 . 1 1 93 93 ALA HB3 H 1 1.094 0.03 . 1 . . . . 91 ALA HB . 7107 1 1013 . 1 1 93 93 ALA C C 13 174.200 0.4 . 1 . . . . 91 ALA C . 7107 1 1014 . 1 1 93 93 ALA CA C 13 49.931 0.4 . 1 . . . . 91 ALA CA . 7107 1 1015 . 1 1 93 93 ALA CB C 13 22.417 0.4 . 1 . . . . 91 ALA CB . 7107 1 1016 . 1 1 93 93 ALA N N 15 121.900 0.4 . 1 . . . . 91 ALA N . 7107 1 1017 . 1 1 94 94 LEU H H 1 8.843 0.03 . 1 . . . . 92 LEU H . 7107 1 1018 . 1 1 94 94 LEU HA H 1 5.060 0.03 . 1 . . . . 92 LEU HA . 7107 1 1019 . 1 1 94 94 LEU HB2 H 1 1.462 0.03 . 2 . . . . 92 LEU HB2 . 7107 1 1020 . 1 1 94 94 LEU HB3 H 1 1.987 0.03 . 2 . . . . 92 LEU HB3 . 7107 1 1021 . 1 1 94 94 LEU HG H 1 1.592 0.03 . 1 . . . . 92 LEU HG . 7107 1 1022 . 1 1 94 94 LEU HD11 H 1 0.884 0.03 . 1 . . . . 92 LEU HD1 . 7107 1 1023 . 1 1 94 94 LEU HD12 H 1 0.884 0.03 . 1 . . . . 92 LEU HD1 . 7107 1 1024 . 1 1 94 94 LEU HD13 H 1 0.884 0.03 . 1 . . . . 92 LEU HD1 . 7107 1 1025 . 1 1 94 94 LEU HD21 H 1 0.904 0.03 . 1 . . . . 92 LEU HD2 . 7107 1 1026 . 1 1 94 94 LEU HD22 H 1 0.904 0.03 . 1 . . . . 92 LEU HD2 . 7107 1 1027 . 1 1 94 94 LEU HD23 H 1 0.904 0.03 . 1 . . . . 92 LEU HD2 . 7107 1 1028 . 1 1 94 94 LEU C C 13 176.100 0.4 . 1 . . . . 92 LEU C . 7107 1 1029 . 1 1 94 94 LEU CA C 13 53.751 0.4 . 1 . . . . 92 LEU CA . 7107 1 1030 . 1 1 94 94 LEU CB C 13 44.200 0.4 . 1 . . . . 92 LEU CB . 7107 1 1031 . 1 1 94 94 LEU CG C 13 27.400 0.4 . 1 . . . . 92 LEU CG . 7107 1 1032 . 1 1 94 94 LEU CD1 C 13 23.773 0.4 . 1 . . . . 92 LEU CD1 . 7107 1 1033 . 1 1 94 94 LEU CD2 C 13 26.396 0.4 . 1 . . . . 92 LEU CD2 . 7107 1 1034 . 1 1 94 94 LEU N N 15 120.400 0.4 . 1 . . . . 92 LEU N . 7107 1 1035 . 1 1 95 95 VAL H H 1 9.956 0.03 . 1 . . . . 93 VAL H . 7107 1 1036 . 1 1 95 95 VAL HA H 1 4.436 0.03 . 1 . . . . 93 VAL HA . 7107 1 1037 . 1 1 95 95 VAL HB H 1 2.106 0.03 . 1 . . . . 93 VAL HB . 7107 1 1038 . 1 1 95 95 VAL HG11 H 1 0.899 0.03 . 2 . . . . 93 VAL HG1 . 7107 1 1039 . 1 1 95 95 VAL HG12 H 1 0.899 0.03 . 2 . . . . 93 VAL HG1 . 7107 1 1040 . 1 1 95 95 VAL HG13 H 1 0.899 0.03 . 2 . . . . 93 VAL HG1 . 7107 1 1041 . 1 1 95 95 VAL HG21 H 1 0.871 0.03 . 2 . . . . 93 VAL HG2 . 7107 1 1042 . 1 1 95 95 VAL HG22 H 1 0.871 0.03 . 2 . . . . 93 VAL HG2 . 7107 1 1043 . 1 1 95 95 VAL HG23 H 1 0.871 0.03 . 2 . . . . 93 VAL HG2 . 7107 1 1044 . 1 1 95 95 VAL C C 13 173.500 0.4 . 1 . . . . 93 VAL C . 7107 1 1045 . 1 1 95 95 VAL CA C 13 63.142 0.4 . 1 . . . . 93 VAL CA . 7107 1 1046 . 1 1 95 95 VAL CB C 13 33.396 0.4 . 1 . . . . 93 VAL CB . 7107 1 1047 . 1 1 95 95 VAL CG1 C 13 21.177 0.4 . 2 . . . . 93 VAL CG1 . 7107 1 1048 . 1 1 95 95 VAL CG2 C 13 21.370 0.4 . 2 . . . . 93 VAL CG2 . 7107 1 1049 . 1 1 95 95 VAL N N 15 133.600 0.4 . 1 . . . . 93 VAL N . 7107 1 1050 . 1 1 96 96 GLN H H 1 9.230 0.03 . 1 . . . . 94 GLN H . 7107 1 1051 . 1 1 96 96 GLN HA H 1 5.260 0.03 . 1 . . . . 94 GLN HA . 7107 1 1052 . 1 1 96 96 GLN HB2 H 1 1.842 0.03 . 2 . . . . 94 GLN HB2 . 7107 1 1053 . 1 1 96 96 GLN HB3 H 1 2.527 0.03 . 2 . . . . 94 GLN HB3 . 7107 1 1054 . 1 1 96 96 GLN HE21 H 1 6.818 0.03 . 1 . . . . 94 GLN HE21 . 7107 1 1055 . 1 1 96 96 GLN HE22 H 1 6.381 0.03 . 1 . . . . 94 GLN HE22 . 7107 1 1056 . 1 1 96 96 GLN C C 13 173.200 0.4 . 1 . . . . 94 GLN C . 7107 1 1057 . 1 1 96 96 GLN CA C 13 54.066 0.4 . 1 . . . . 94 GLN CA . 7107 1 1058 . 1 1 96 96 GLN CB C 13 29.800 0.4 . 1 . . . . 94 GLN CB . 7107 1 1059 . 1 1 96 96 GLN N N 15 131.300 0.4 . 1 . . . . 94 GLN N . 7107 1 1060 . 1 1 96 96 GLN NE2 N 15 113.800 0.4 . 1 . . . . 94 GLN NE2 . 7107 1 1061 . 1 1 97 97 HIS H H 1 9.265 0.03 . 1 . . . . 95 HIS H . 7107 1 1062 . 1 1 97 97 HIS HA H 1 5.375 0.03 . 1 . . . . 95 HIS HA . 7107 1 1063 . 1 1 97 97 HIS HB2 H 1 2.940 0.03 . 2 . . . . 95 HIS HB2 . 7107 1 1064 . 1 1 97 97 HIS HB3 H 1 3.263 0.03 . 2 . . . . 95 HIS HB3 . 7107 1 1065 . 1 1 97 97 HIS HD2 H 1 7.165 0.03 . 1 . . . . 95 HIS HD2 . 7107 1 1066 . 1 1 97 97 HIS C C 13 173.800 0.4 . 1 . . . . 95 HIS C . 7107 1 1067 . 1 1 97 97 HIS CA C 13 55.656 0.4 . 1 . . . . 95 HIS CA . 7107 1 1068 . 1 1 97 97 HIS CB C 13 33.151 0.4 . 1 . . . . 95 HIS CB . 7107 1 1069 . 1 1 97 97 HIS N N 15 128.700 0.4 . 1 . . . . 95 HIS N . 7107 1 1070 . 1 1 98 98 GLN H H 1 8.978 0.03 . 1 . . . . 96 GLN H . 7107 1 1071 . 1 1 98 98 GLN HA H 1 4.917 0.03 . 1 . . . . 96 GLN HA . 7107 1 1072 . 1 1 98 98 GLN HB2 H 1 2.349 0.03 . 2 . . . . 96 GLN HB2 . 7107 1 1073 . 1 1 98 98 GLN HB3 H 1 2.908 0.03 . 2 . . . . 96 GLN HB3 . 7107 1 1074 . 1 1 98 98 GLN HE21 H 1 7.523 0.03 . 1 . . . . 96 GLN HE21 . 7107 1 1075 . 1 1 98 98 GLN HE22 H 1 6.798 0.03 . 1 . . . . 96 GLN HE22 . 7107 1 1076 . 1 1 98 98 GLN C C 13 175.700 0.4 . 1 . . . . 96 GLN C . 7107 1 1077 . 1 1 98 98 GLN CA C 13 54.400 0.4 . 1 . . . . 96 GLN CA . 7107 1 1078 . 1 1 98 98 GLN CB C 13 32.500 0.4 . 1 . . . . 96 GLN CB . 7107 1 1079 . 1 1 98 98 GLN CG C 13 33.099 0.4 . 1 . . . . 96 GLN CG . 7107 1 1080 . 1 1 98 98 GLN N N 15 124.400 0.4 . 1 . . . . 96 GLN N . 7107 1 1081 . 1 1 98 98 GLN NE2 N 15 111.800 0.4 . 1 . . . . 96 GLN NE2 . 7107 1 1082 . 1 1 99 99 GLU H H 1 8.836 0.03 . 1 . . . . 97 GLU H . 7107 1 1083 . 1 1 99 99 GLU HA H 1 5.394 0.03 . 1 . . . . 97 GLU HA . 7107 1 1084 . 1 1 99 99 GLU HB2 H 1 2.053 0.03 . 1 . . . . 97 GLU HB2 . 7107 1 1085 . 1 1 99 99 GLU HB3 H 1 2.053 0.03 . 1 . . . . 97 GLU HB3 . 7107 1 1086 . 1 1 99 99 GLU HG2 H 1 2.205 0.03 . 1 . . . . 97 GLU HG2 . 7107 1 1087 . 1 1 99 99 GLU HG3 H 1 2.205 0.03 . 1 . . . . 97 GLU HG3 . 7107 1 1088 . 1 1 99 99 GLU C C 13 176.100 0.4 . 1 . . . . 97 GLU C . 7107 1 1089 . 1 1 99 99 GLU CA C 13 55.276 0.4 . 1 . . . . 97 GLU CA . 7107 1 1090 . 1 1 99 99 GLU CB C 13 33.700 0.4 . 1 . . . . 97 GLU CB . 7107 1 1091 . 1 1 99 99 GLU CG C 13 36.700 0.4 . 1 . . . . 97 GLU CG . 7107 1 1092 . 1 1 99 99 GLU N N 15 119.000 0.4 . 1 . . . . 97 GLU N . 7107 1 1093 . 1 1 100 100 TRP H H 1 8.284 0.03 . 1 . . . . 98 TRP H . 7107 1 1094 . 1 1 100 100 TRP HA H 1 4.852 0.03 . 1 . . . . 98 TRP HA . 7107 1 1095 . 1 1 100 100 TRP HB2 H 1 3.103 0.03 . 2 . . . . 98 TRP HB2 . 7107 1 1096 . 1 1 100 100 TRP HB3 H 1 3.490 0.03 . 2 . . . . 98 TRP HB3 . 7107 1 1097 . 1 1 100 100 TRP HD1 H 1 7.158 0.03 . 1 . . . . 98 TRP HD1 . 7107 1 1098 . 1 1 100 100 TRP C C 13 172.400 0.4 . 1 . . . . 98 TRP C . 7107 1 1099 . 1 1 100 100 TRP CA C 13 57.806 0.4 . 1 . . . . 98 TRP CA . 7107 1 1100 . 1 1 100 100 TRP CB C 13 31.711 0.4 . 1 . . . . 98 TRP CB . 7107 1 1101 . 1 1 100 100 TRP CD1 C 13 128.500 0.4 . 1 . . . . 98 TRP CD1 . 7107 1 1102 . 1 1 100 100 TRP N N 15 126.800 0.4 . 1 . . . . 98 TRP N . 7107 1 1103 . 1 1 101 101 ASP H H 1 9.181 0.03 . 1 . . . . 99 ASP H . 7107 1 1104 . 1 1 101 101 ASP HA H 1 4.249 0.03 . 1 . . . . 99 ASP HA . 7107 1 1105 . 1 1 101 101 ASP HB2 H 1 2.441 0.03 . 2 . . . . 99 ASP HB2 . 7107 1 1106 . 1 1 101 101 ASP HB3 H 1 2.782 0.03 . 2 . . . . 99 ASP HB3 . 7107 1 1107 . 1 1 101 101 ASP C C 13 175.200 0.4 . 1 . . . . 99 ASP C . 7107 1 1108 . 1 1 101 101 ASP CA C 13 55.274 0.4 . 1 . . . . 99 ASP CA . 7107 1 1109 . 1 1 101 101 ASP CB C 13 41.242 0.4 . 1 . . . . 99 ASP CB . 7107 1 1110 . 1 1 101 101 ASP N N 15 122.000 0.4 . 1 . . . . 99 ASP N . 7107 1 1111 . 1 1 102 102 GLY H H 1 8.494 0.03 . 1 . . . . 100 GLY H . 7107 1 1112 . 1 1 102 102 GLY HA2 H 1 3.560 0.03 . 2 . . . . 100 GLY HA2 . 7107 1 1113 . 1 1 102 102 GLY HA3 H 1 3.940 0.03 . 2 . . . . 100 GLY HA3 . 7107 1 1114 . 1 1 102 102 GLY C C 13 173.900 0.4 . 1 . . . . 100 GLY C . 7107 1 1115 . 1 1 102 102 GLY CA C 13 45.900 0.4 . 1 . . . . 100 GLY CA . 7107 1 1116 . 1 1 102 102 GLY N N 15 104.400 0.4 . 1 . . . . 100 GLY N . 7107 1 1117 . 1 1 103 103 LYS H H 1 8.328 0.03 . 1 . . . . 101 LYS H . 7107 1 1118 . 1 1 103 103 LYS HA H 1 4.233 0.03 . 1 . . . . 101 LYS HA . 7107 1 1119 . 1 1 103 103 LYS HB2 H 1 0.143 0.03 . 2 . . . . 101 LYS HB2 . 7107 1 1120 . 1 1 103 103 LYS HB3 H 1 0.858 0.03 . 2 . . . . 101 LYS HB3 . 7107 1 1121 . 1 1 103 103 LYS HG2 H 1 1.095 0.03 . 1 . . . . 101 LYS HG2 . 7107 1 1122 . 1 1 103 103 LYS HG3 H 1 1.095 0.03 . 1 . . . . 101 LYS HG3 . 7107 1 1123 . 1 1 103 103 LYS HD2 H 1 1.245 0.03 . 1 . . . . 101 LYS HD2 . 7107 1 1124 . 1 1 103 103 LYS HD3 H 1 1.245 0.03 . 1 . . . . 101 LYS HD3 . 7107 1 1125 . 1 1 103 103 LYS HE2 H 1 2.821 0.03 . 2 . . . . 101 LYS HE2 . 7107 1 1126 . 1 1 103 103 LYS HE3 H 1 2.874 0.03 . 2 . . . . 101 LYS HE3 . 7107 1 1127 . 1 1 103 103 LYS C C 13 175.000 0.4 . 1 . . . . 101 LYS C . 7107 1 1128 . 1 1 103 103 LYS CA C 13 54.483 0.4 . 1 . . . . 101 LYS CA . 7107 1 1129 . 1 1 103 103 LYS CB C 13 33.800 0.4 . 1 . . . . 101 LYS CB . 7107 1 1130 . 1 1 103 103 LYS CG C 13 24.632 0.4 . 1 . . . . 101 LYS CG . 7107 1 1131 . 1 1 103 103 LYS CD C 13 29.070 0.4 . 1 . . . . 101 LYS CD . 7107 1 1132 . 1 1 103 103 LYS N N 15 122.800 0.4 . 1 . . . . 101 LYS N . 7107 1 1133 . 1 1 104 104 GLU H H 1 7.989 0.03 . 1 . . . . 102 GLU H . 7107 1 1134 . 1 1 104 104 GLU HA H 1 5.594 0.03 . 1 . . . . 102 GLU HA . 7107 1 1135 . 1 1 104 104 GLU HB2 H 1 1.901 0.03 . 2 . . . . 102 GLU HB2 . 7107 1 1136 . 1 1 104 104 GLU HB3 H 1 2.076 0.03 . 2 . . . . 102 GLU HB3 . 7107 1 1137 . 1 1 104 104 GLU HG2 H 1 2.093 0.03 . 2 . . . . 102 GLU HG2 . 7107 1 1138 . 1 1 104 104 GLU HG3 H 1 2.223 0.03 . 2 . . . . 102 GLU HG3 . 7107 1 1139 . 1 1 104 104 GLU C C 13 175.100 0.4 . 1 . . . . 102 GLU C . 7107 1 1140 . 1 1 104 104 GLU CA C 13 54.644 0.4 . 1 . . . . 102 GLU CA . 7107 1 1141 . 1 1 104 104 GLU CB C 13 33.827 0.4 . 1 . . . . 102 GLU CB . 7107 1 1142 . 1 1 104 104 GLU CG C 13 35.465 0.4 . 1 . . . . 102 GLU CG . 7107 1 1143 . 1 1 104 104 GLU N N 15 115.400 0.4 . 1 . . . . 102 GLU N . 7107 1 1144 . 1 1 105 105 SER H H 1 8.799 0.03 . 1 . . . . 103 SER H . 7107 1 1145 . 1 1 105 105 SER HA H 1 5.260 0.03 . 1 . . . . 103 SER HA . 7107 1 1146 . 1 1 105 105 SER HB2 H 1 3.955 0.03 . 2 . . . . 103 SER HB2 . 7107 1 1147 . 1 1 105 105 SER HB3 H 1 4.479 0.03 . 2 . . . . 103 SER HB3 . 7107 1 1148 . 1 1 105 105 SER C C 13 172.800 0.4 . 1 . . . . 103 SER C . 7107 1 1149 . 1 1 105 105 SER CA C 13 56.853 0.4 . 1 . . . . 103 SER CA . 7107 1 1150 . 1 1 105 105 SER CB C 13 66.188 0.4 . 1 . . . . 103 SER CB . 7107 1 1151 . 1 1 105 105 SER N N 15 112.700 0.4 . 1 . . . . 103 SER N . 7107 1 1152 . 1 1 106 106 THR H H 1 8.028 0.03 . 1 . . . . 104 THR H . 7107 1 1153 . 1 1 106 106 THR HA H 1 5.499 0.03 . 1 . . . . 104 THR HA . 7107 1 1154 . 1 1 106 106 THR HB H 1 3.941 0.03 . 1 . . . . 104 THR HB . 7107 1 1155 . 1 1 106 106 THR HG21 H 1 1.215 0.03 . 1 . . . . 104 THR HG2 . 7107 1 1156 . 1 1 106 106 THR HG22 H 1 1.215 0.03 . 1 . . . . 104 THR HG2 . 7107 1 1157 . 1 1 106 106 THR HG23 H 1 1.215 0.03 . 1 . . . . 104 THR HG2 . 7107 1 1158 . 1 1 106 106 THR C C 13 173.200 0.4 . 1 . . . . 104 THR C . 7107 1 1159 . 1 1 106 106 THR CA C 13 62.058 0.4 . 1 . . . . 104 THR CA . 7107 1 1160 . 1 1 106 106 THR CB C 13 71.047 0.4 . 1 . . . . 104 THR CB . 7107 1 1161 . 1 1 106 106 THR CG2 C 13 22.567 0.4 . 1 . . . . 104 THR CG2 . 7107 1 1162 . 1 1 106 106 THR N N 15 120.600 0.4 . 1 . . . . 104 THR N . 7107 1 1163 . 1 1 107 107 ILE H H 1 9.680 0.03 . 1 . . . . 105 ILE H . 7107 1 1164 . 1 1 107 107 ILE HA H 1 5.181 0.03 . 1 . . . . 105 ILE HA . 7107 1 1165 . 1 1 107 107 ILE HG12 H 1 1.374 0.03 . 2 . . . . 105 ILE HG12 . 7107 1 1166 . 1 1 107 107 ILE HG13 H 1 1.582 0.03 . 2 . . . . 105 ILE HG13 . 7107 1 1167 . 1 1 107 107 ILE HG21 H 1 0.949 0.03 . 1 . . . . 105 ILE HG2 . 7107 1 1168 . 1 1 107 107 ILE HG22 H 1 0.949 0.03 . 1 . . . . 105 ILE HG2 . 7107 1 1169 . 1 1 107 107 ILE HG23 H 1 0.949 0.03 . 1 . . . . 105 ILE HG2 . 7107 1 1170 . 1 1 107 107 ILE HD11 H 1 0.897 0.03 . 1 . . . . 105 ILE HD1 . 7107 1 1171 . 1 1 107 107 ILE HD12 H 1 0.897 0.03 . 1 . . . . 105 ILE HD1 . 7107 1 1172 . 1 1 107 107 ILE HD13 H 1 0.897 0.03 . 1 . . . . 105 ILE HD1 . 7107 1 1173 . 1 1 107 107 ILE C C 13 176.600 0.4 . 1 . . . . 105 ILE C . 7107 1 1174 . 1 1 107 107 ILE CA C 13 60.640 0.4 . 1 . . . . 105 ILE CA . 7107 1 1175 . 1 1 107 107 ILE CB C 13 41.836 0.4 . 1 . . . . 105 ILE CB . 7107 1 1176 . 1 1 107 107 ILE CG2 C 13 18.832 0.4 . 1 . . . . 105 ILE CG2 . 7107 1 1177 . 1 1 107 107 ILE CD1 C 13 15.417 0.4 . 1 . . . . 105 ILE CD1 . 7107 1 1178 . 1 1 107 107 ILE N N 15 129.100 0.4 . 1 . . . . 105 ILE N . 7107 1 1179 . 1 1 108 108 THR H H 1 9.979 0.03 . 1 . . . . 106 THR H . 7107 1 1180 . 1 1 108 108 THR HA H 1 5.239 0.03 . 1 . . . . 106 THR HA . 7107 1 1181 . 1 1 108 108 THR HB H 1 4.037 0.03 . 1 . . . . 106 THR HB . 7107 1 1182 . 1 1 108 108 THR HG21 H 1 1.133 0.03 . 1 . . . . 106 THR HG2 . 7107 1 1183 . 1 1 108 108 THR HG22 H 1 1.133 0.03 . 1 . . . . 106 THR HG2 . 7107 1 1184 . 1 1 108 108 THR HG23 H 1 1.133 0.03 . 1 . . . . 106 THR HG2 . 7107 1 1185 . 1 1 108 108 THR C C 13 173.200 0.4 . 1 . . . . 106 THR C . 7107 1 1186 . 1 1 108 108 THR CA C 13 61.876 0.4 . 1 . . . . 106 THR CA . 7107 1 1187 . 1 1 108 108 THR CB C 13 70.192 0.4 . 1 . . . . 106 THR CB . 7107 1 1188 . 1 1 108 108 THR CG2 C 13 21.898 0.4 . 1 . . . . 106 THR CG2 . 7107 1 1189 . 1 1 108 108 THR N N 15 128.000 0.4 . 1 . . . . 106 THR N . 7107 1 1190 . 1 1 109 109 ARG H H 1 9.191 0.03 . 1 . . . . 107 ARG H . 7107 1 1191 . 1 1 109 109 ARG HA H 1 5.451 0.03 . 1 . . . . 107 ARG HA . 7107 1 1192 . 1 1 109 109 ARG HB2 H 1 1.296 0.03 . 2 . . . . 107 ARG HB2 . 7107 1 1193 . 1 1 109 109 ARG HB3 H 1 1.599 0.03 . 2 . . . . 107 ARG HB3 . 7107 1 1194 . 1 1 109 109 ARG HD2 H 1 2.638 0.03 . 2 . . . . 107 ARG HD2 . 7107 1 1195 . 1 1 109 109 ARG HD3 H 1 2.783 0.03 . 2 . . . . 107 ARG HD3 . 7107 1 1196 . 1 1 109 109 ARG C C 13 173.400 0.4 . 1 . . . . 107 ARG C . 7107 1 1197 . 1 1 109 109 ARG CA C 13 54.624 0.4 . 1 . . . . 107 ARG CA . 7107 1 1198 . 1 1 109 109 ARG CB C 13 32.800 0.4 . 1 . . . . 107 ARG CB . 7107 1 1199 . 1 1 109 109 ARG CD C 13 43.371 0.4 . 1 . . . . 107 ARG CD . 7107 1 1200 . 1 1 109 109 ARG N N 15 125.000 0.4 . 1 . . . . 107 ARG N . 7107 1 1201 . 1 1 110 110 LYS H H 1 8.720 0.03 . 1 . . . . 108 LYS H . 7107 1 1202 . 1 1 110 110 LYS HA H 1 4.878 0.03 . 1 . . . . 108 LYS HA . 7107 1 1203 . 1 1 110 110 LYS HB2 H 1 1.726 0.03 . 1 . . . . 108 LYS HB2 . 7107 1 1204 . 1 1 110 110 LYS HB3 H 1 1.726 0.03 . 1 . . . . 108 LYS HB3 . 7107 1 1205 . 1 1 110 110 LYS HG2 H 1 1.147 0.03 . 2 . . . . 108 LYS HG2 . 7107 1 1206 . 1 1 110 110 LYS HG3 H 1 1.416 0.03 . 2 . . . . 108 LYS HG3 . 7107 1 1207 . 1 1 110 110 LYS HD2 H 1 1.519 0.03 . 2 . . . . 108 LYS HD2 . 7107 1 1208 . 1 1 110 110 LYS HD3 H 1 1.565 0.03 . 2 . . . . 108 LYS HD3 . 7107 1 1209 . 1 1 110 110 LYS HE2 H 1 2.756 0.03 . 1 . . . . 108 LYS HE2 . 7107 1 1210 . 1 1 110 110 LYS HE3 H 1 2.756 0.03 . 1 . . . . 108 LYS HE3 . 7107 1 1211 . 1 1 110 110 LYS C C 13 173.200 0.4 . 1 . . . . 108 LYS C . 7107 1 1212 . 1 1 110 110 LYS CA C 13 54.280 0.4 . 1 . . . . 108 LYS CA . 7107 1 1213 . 1 1 110 110 LYS CB C 13 36.400 0.4 . 1 . . . . 108 LYS CB . 7107 1 1214 . 1 1 110 110 LYS CG C 13 23.937 0.4 . 1 . . . . 108 LYS CG . 7107 1 1215 . 1 1 110 110 LYS CD C 13 29.681 0.4 . 1 . . . . 108 LYS CD . 7107 1 1216 . 1 1 110 110 LYS CE C 13 42.039 0.4 . 1 . . . . 108 LYS CE . 7107 1 1217 . 1 1 110 110 LYS N N 15 121.000 0.4 . 1 . . . . 108 LYS N . 7107 1 1218 . 1 1 111 111 LEU H H 1 8.621 0.03 . 1 . . . . 109 LEU H . 7107 1 1219 . 1 1 111 111 LEU HA H 1 5.182 0.03 . 1 . . . . 109 LEU HA . 7107 1 1220 . 1 1 111 111 LEU HB2 H 1 1.494 0.03 . 1 . . . . 109 LEU HB2 . 7107 1 1221 . 1 1 111 111 LEU HB3 H 1 1.494 0.03 . 1 . . . . 109 LEU HB3 . 7107 1 1222 . 1 1 111 111 LEU HG H 1 1.458 0.03 . 1 . . . . 109 LEU HG . 7107 1 1223 . 1 1 111 111 LEU HD11 H 1 0.886 0.03 . 1 . . . . 109 LEU HD1 . 7107 1 1224 . 1 1 111 111 LEU HD12 H 1 0.886 0.03 . 1 . . . . 109 LEU HD1 . 7107 1 1225 . 1 1 111 111 LEU HD13 H 1 0.886 0.03 . 1 . . . . 109 LEU HD1 . 7107 1 1226 . 1 1 111 111 LEU HD21 H 1 0.743 0.03 . 1 . . . . 109 LEU HD2 . 7107 1 1227 . 1 1 111 111 LEU HD22 H 1 0.743 0.03 . 1 . . . . 109 LEU HD2 . 7107 1 1228 . 1 1 111 111 LEU HD23 H 1 0.743 0.03 . 1 . . . . 109 LEU HD2 . 7107 1 1229 . 1 1 111 111 LEU C C 13 177.800 0.4 . 1 . . . . 109 LEU C . 7107 1 1230 . 1 1 111 111 LEU CA C 13 53.606 0.4 . 1 . . . . 109 LEU CA . 7107 1 1231 . 1 1 111 111 LEU CB C 13 43.100 0.4 . 1 . . . . 109 LEU CB . 7107 1 1232 . 1 1 111 111 LEU CG C 13 27.274 0.4 . 1 . . . . 109 LEU CG . 7107 1 1233 . 1 1 111 111 LEU CD1 C 13 25.399 0.4 . 1 . . . . 109 LEU CD1 . 7107 1 1234 . 1 1 111 111 LEU CD2 C 13 25.225 0.4 . 1 . . . . 109 LEU CD2 . 7107 1 1235 . 1 1 111 111 LEU N N 15 122.100 0.4 . 1 . . . . 109 LEU N . 7107 1 1236 . 1 1 112 112 LYS H H 1 9.315 0.03 . 1 . . . . 110 LYS H . 7107 1 1237 . 1 1 112 112 LYS HA H 1 4.519 0.03 . 1 . . . . 110 LYS HA . 7107 1 1238 . 1 1 112 112 LYS HB2 H 1 1.540 0.03 . 2 . . . . 110 LYS HB2 . 7107 1 1239 . 1 1 112 112 LYS HB3 H 1 1.721 0.03 . 2 . . . . 110 LYS HB3 . 7107 1 1240 . 1 1 112 112 LYS HG2 H 1 1.264 0.03 . 2 . . . . 110 LYS HG2 . 7107 1 1241 . 1 1 112 112 LYS HG3 H 1 1.346 0.03 . 2 . . . . 110 LYS HG3 . 7107 1 1242 . 1 1 112 112 LYS HD2 H 1 1.612 0.03 . 2 . . . . 110 LYS HD2 . 7107 1 1243 . 1 1 112 112 LYS HD3 H 1 1.680 0.03 . 2 . . . . 110 LYS HD3 . 7107 1 1244 . 1 1 112 112 LYS HE2 H 1 2.962 0.03 . 1 . . . . 110 LYS HE2 . 7107 1 1245 . 1 1 112 112 LYS HE3 H 1 2.962 0.03 . 1 . . . . 110 LYS HE3 . 7107 1 1246 . 1 1 112 112 LYS CA C 13 56.040 0.4 . 1 . . . . 110 LYS CA . 7107 1 1247 . 1 1 112 112 LYS CB C 13 35.167 0.4 . 1 . . . . 110 LYS CB . 7107 1 1248 . 1 1 112 112 LYS CG C 13 24.802 0.4 . 1 . . . . 110 LYS CG . 7107 1 1249 . 1 1 112 112 LYS CD C 13 29.259 0.4 . 1 . . . . 110 LYS CD . 7107 1 1250 . 1 1 112 112 LYS N N 15 125.700 0.4 . 1 . . . . 110 LYS N . 7107 1 1251 . 1 1 113 113 ASP HA H 1 4.362 0.03 . 1 . . . . 111 ASP HA . 7107 1 1252 . 1 1 113 113 ASP HB2 H 1 2.691 0.03 . 2 . . . . 111 ASP HB2 . 7107 1 1253 . 1 1 113 113 ASP HB3 H 1 2.989 0.03 . 2 . . . . 111 ASP HB3 . 7107 1 1254 . 1 1 113 113 ASP C C 13 175.800 0.4 . 1 . . . . 111 ASP C . 7107 1 1255 . 1 1 113 113 ASP CA C 13 55.600 0.4 . 1 . . . . 111 ASP CA . 7107 1 1256 . 1 1 113 113 ASP CB C 13 39.818 0.4 . 1 . . . . 111 ASP CB . 7107 1 1257 . 1 1 114 114 GLY H H 1 8.640 0.03 . 1 . . . . 112 GLY H . 7107 1 1258 . 1 1 114 114 GLY HA2 H 1 3.720 0.03 . 2 . . . . 112 GLY HA2 . 7107 1 1259 . 1 1 114 114 GLY HA3 H 1 4.320 0.03 . 2 . . . . 112 GLY HA3 . 7107 1 1260 . 1 1 114 114 GLY C C 13 173.900 0.4 . 1 . . . . 112 GLY C . 7107 1 1261 . 1 1 114 114 GLY CA C 13 45.600 0.4 . 1 . . . . 112 GLY CA . 7107 1 1262 . 1 1 114 114 GLY N N 15 103.000 0.4 . 1 . . . . 112 GLY N . 7107 1 1263 . 1 1 115 115 LYS H H 1 8.004 0.03 . 1 . . . . 113 LYS H . 7107 1 1264 . 1 1 115 115 LYS HA H 1 4.998 0.03 . 1 . . . . 113 LYS HA . 7107 1 1265 . 1 1 115 115 LYS HB2 H 1 1.828 0.03 . 2 . . . . 113 LYS HB2 . 7107 1 1266 . 1 1 115 115 LYS HB3 H 1 1.995 0.03 . 2 . . . . 113 LYS HB3 . 7107 1 1267 . 1 1 115 115 LYS HG2 H 1 1.571 0.03 . 1 . . . . 113 LYS HG2 . 7107 1 1268 . 1 1 115 115 LYS HG3 H 1 1.571 0.03 . 1 . . . . 113 LYS HG3 . 7107 1 1269 . 1 1 115 115 LYS HD2 H 1 1.622 0.03 . 2 . . . . 113 LYS HD2 . 7107 1 1270 . 1 1 115 115 LYS HD3 H 1 1.725 0.03 . 2 . . . . 113 LYS HD3 . 7107 1 1271 . 1 1 115 115 LYS HE2 H 1 3.058 0.03 . 2 . . . . 113 LYS HE2 . 7107 1 1272 . 1 1 115 115 LYS HE3 H 1 3.111 0.03 . 2 . . . . 113 LYS HE3 . 7107 1 1273 . 1 1 115 115 LYS C C 13 173.600 0.4 . 1 . . . . 113 LYS C . 7107 1 1274 . 1 1 115 115 LYS CA C 13 54.982 0.4 . 1 . . . . 113 LYS CA . 7107 1 1275 . 1 1 115 115 LYS CB C 13 34.100 0.4 . 1 . . . . 113 LYS CB . 7107 1 1276 . 1 1 115 115 LYS CG C 13 25.837 0.4 . 1 . . . . 113 LYS CG . 7107 1 1277 . 1 1 115 115 LYS CD C 13 29.035 0.4 . 1 . . . . 113 LYS CD . 7107 1 1278 . 1 1 115 115 LYS CE C 13 42.541 0.4 . 1 . . . . 113 LYS CE . 7107 1 1279 . 1 1 115 115 LYS N N 15 121.500 0.4 . 1 . . . . 113 LYS N . 7107 1 1280 . 1 1 116 116 LEU H H 1 8.329 0.03 . 1 . . . . 114 LEU H . 7107 1 1281 . 1 1 116 116 LEU HA H 1 4.260 0.03 . 1 . . . . 114 LEU HA . 7107 1 1282 . 1 1 116 116 LEU HB2 H 1 -0.827 0.03 . 2 . . . . 114 LEU HB2 . 7107 1 1283 . 1 1 116 116 LEU HB3 H 1 1.111 0.03 . 2 . . . . 114 LEU HB3 . 7107 1 1284 . 1 1 116 116 LEU HG H 1 0.770 0.03 . 1 . . . . 114 LEU HG . 7107 1 1285 . 1 1 116 116 LEU HD11 H 1 0.029 0.03 . 1 . . . . 114 LEU HD1 . 7107 1 1286 . 1 1 116 116 LEU HD12 H 1 0.029 0.03 . 1 . . . . 114 LEU HD1 . 7107 1 1287 . 1 1 116 116 LEU HD13 H 1 0.029 0.03 . 1 . . . . 114 LEU HD1 . 7107 1 1288 . 1 1 116 116 LEU HD21 H 1 -0.474 0.03 . 1 . . . . 114 LEU HD2 . 7107 1 1289 . 1 1 116 116 LEU HD22 H 1 -0.474 0.03 . 1 . . . . 114 LEU HD2 . 7107 1 1290 . 1 1 116 116 LEU HD23 H 1 -0.474 0.03 . 1 . . . . 114 LEU HD2 . 7107 1 1291 . 1 1 116 116 LEU C C 13 174.300 0.4 . 1 . . . . 114 LEU C . 7107 1 1292 . 1 1 116 116 LEU CA C 13 54.288 0.4 . 1 . . . . 114 LEU CA . 7107 1 1293 . 1 1 116 116 LEU CB C 13 42.200 0.4 . 1 . . . . 114 LEU CB . 7107 1 1294 . 1 1 116 116 LEU CG C 13 26.208 0.4 . 1 . . . . 114 LEU CG . 7107 1 1295 . 1 1 116 116 LEU CD1 C 13 23.890 0.4 . 1 . . . . 114 LEU CD1 . 7107 1 1296 . 1 1 116 116 LEU CD2 C 13 24.724 0.4 . 1 . . . . 114 LEU CD2 . 7107 1 1297 . 1 1 116 116 LEU N N 15 123.900 0.4 . 1 . . . . 114 LEU N . 7107 1 1298 . 1 1 117 117 VAL H H 1 9.199 0.03 . 1 . . . . 115 VAL H . 7107 1 1299 . 1 1 117 117 VAL HA H 1 4.495 0.03 . 1 . . . . 115 VAL HA . 7107 1 1300 . 1 1 117 117 VAL HB H 1 1.916 0.03 . 1 . . . . 115 VAL HB . 7107 1 1301 . 1 1 117 117 VAL HG11 H 1 0.928 0.03 . 2 . . . . 115 VAL HG1 . 7107 1 1302 . 1 1 117 117 VAL HG12 H 1 0.928 0.03 . 2 . . . . 115 VAL HG1 . 7107 1 1303 . 1 1 117 117 VAL HG13 H 1 0.928 0.03 . 2 . . . . 115 VAL HG1 . 7107 1 1304 . 1 1 117 117 VAL HG21 H 1 0.826 0.03 . 2 . . . . 115 VAL HG2 . 7107 1 1305 . 1 1 117 117 VAL HG22 H 1 0.826 0.03 . 2 . . . . 115 VAL HG2 . 7107 1 1306 . 1 1 117 117 VAL HG23 H 1 0.826 0.03 . 2 . . . . 115 VAL HG2 . 7107 1 1307 . 1 1 117 117 VAL C C 13 175.300 0.4 . 1 . . . . 115 VAL C . 7107 1 1308 . 1 1 117 117 VAL CA C 13 62.075 0.4 . 1 . . . . 115 VAL CA . 7107 1 1309 . 1 1 117 117 VAL CB C 13 32.539 0.4 . 1 . . . . 115 VAL CB . 7107 1 1310 . 1 1 117 117 VAL CG1 C 13 21.826 0.4 . 2 . . . . 115 VAL CG1 . 7107 1 1311 . 1 1 117 117 VAL CG2 C 13 21.216 0.4 . 2 . . . . 115 VAL CG2 . 7107 1 1312 . 1 1 117 117 VAL N N 15 129.100 0.4 . 1 . . . . 115 VAL N . 7107 1 1313 . 1 1 118 118 VAL H H 1 9.608 0.03 . 1 . . . . 116 VAL H . 7107 1 1314 . 1 1 118 118 VAL HA H 1 4.963 0.03 . 1 . . . . 116 VAL HA . 7107 1 1315 . 1 1 118 118 VAL HB H 1 2.269 0.03 . 1 . . . . 116 VAL HB . 7107 1 1316 . 1 1 118 118 VAL HG11 H 1 0.830 0.03 . 2 . . . . 116 VAL HG1 . 7107 1 1317 . 1 1 118 118 VAL HG12 H 1 0.830 0.03 . 2 . . . . 116 VAL HG1 . 7107 1 1318 . 1 1 118 118 VAL HG13 H 1 0.830 0.03 . 2 . . . . 116 VAL HG1 . 7107 1 1319 . 1 1 118 118 VAL HG21 H 1 0.830 0.03 . 2 . . . . 116 VAL HG2 . 7107 1 1320 . 1 1 118 118 VAL HG22 H 1 0.830 0.03 . 2 . . . . 116 VAL HG2 . 7107 1 1321 . 1 1 118 118 VAL HG23 H 1 0.830 0.03 . 2 . . . . 116 VAL HG2 . 7107 1 1322 . 1 1 118 118 VAL C C 13 175.100 0.4 . 1 . . . . 116 VAL C . 7107 1 1323 . 1 1 118 118 VAL CA C 13 60.824 0.4 . 1 . . . . 116 VAL CA . 7107 1 1324 . 1 1 118 118 VAL CB C 13 32.800 0.4 . 1 . . . . 116 VAL CB . 7107 1 1325 . 1 1 118 118 VAL CG1 C 13 21.067 0.4 . 1 . . . . 116 VAL CG1 . 7107 1 1326 . 1 1 118 118 VAL CG2 C 13 21.067 0.4 . 1 . . . . 116 VAL CG2 . 7107 1 1327 . 1 1 118 118 VAL N N 15 130.300 0.4 . 1 . . . . 116 VAL N . 7107 1 1328 . 1 1 119 119 GLU H H 1 9.330 0.03 . 1 . . . . 117 GLU H . 7107 1 1329 . 1 1 119 119 GLU HA H 1 5.514 0.03 . 1 . . . . 117 GLU HA . 7107 1 1330 . 1 1 119 119 GLU HB2 H 1 1.900 0.03 . 1 . . . . 117 GLU HB2 . 7107 1 1331 . 1 1 119 119 GLU HB3 H 1 1.900 0.03 . 1 . . . . 117 GLU HB3 . 7107 1 1332 . 1 1 119 119 GLU HG2 H 1 2.030 0.03 . 2 . . . . 117 GLU HG2 . 7107 1 1333 . 1 1 119 119 GLU HG3 H 1 2.148 0.03 . 2 . . . . 117 GLU HG3 . 7107 1 1334 . 1 1 119 119 GLU C C 13 176.100 0.4 . 1 . . . . 117 GLU C . 7107 1 1335 . 1 1 119 119 GLU CA C 13 54.163 0.4 . 1 . . . . 117 GLU CA . 7107 1 1336 . 1 1 119 119 GLU CB C 13 32.700 0.4 . 1 . . . . 117 GLU CB . 7107 1 1337 . 1 1 119 119 GLU CG C 13 37.077 0.4 . 1 . . . . 117 GLU CG . 7107 1 1338 . 1 1 119 119 GLU N N 15 127.400 0.4 . 1 . . . . 117 GLU N . 7107 1 1339 . 1 1 120 120 CYS H H 1 9.090 0.03 . 1 . . . . 118 CYS H . 7107 1 1340 . 1 1 120 120 CYS HA H 1 5.183 0.03 . 1 . . . . 118 CYS HA . 7107 1 1341 . 1 1 120 120 CYS HB2 H 1 1.874 0.03 . 1 . . . . 118 CYS HB2 . 7107 1 1342 . 1 1 120 120 CYS HB3 H 1 1.874 0.03 . 1 . . . . 118 CYS HB3 . 7107 1 1343 . 1 1 120 120 CYS C C 13 173.500 0.4 . 1 . . . . 118 CYS C . 7107 1 1344 . 1 1 120 120 CYS CA C 13 55.440 0.4 . 1 . . . . 118 CYS CA . 7107 1 1345 . 1 1 120 120 CYS CB C 13 28.300 0.4 . 1 . . . . 118 CYS CB . 7107 1 1346 . 1 1 120 120 CYS N N 15 124.500 0.4 . 1 . . . . 118 CYS N . 7107 1 1347 . 1 1 121 121 VAL H H 1 8.901 0.03 . 1 . . . . 119 VAL H . 7107 1 1348 . 1 1 121 121 VAL HA H 1 5.422 0.03 . 1 . . . . 119 VAL HA . 7107 1 1349 . 1 1 121 121 VAL HB H 1 2.071 0.03 . 1 . . . . 119 VAL HB . 7107 1 1350 . 1 1 121 121 VAL HG11 H 1 0.977 0.03 . 2 . . . . 119 VAL HG1 . 7107 1 1351 . 1 1 121 121 VAL HG12 H 1 0.977 0.03 . 2 . . . . 119 VAL HG1 . 7107 1 1352 . 1 1 121 121 VAL HG13 H 1 0.977 0.03 . 2 . . . . 119 VAL HG1 . 7107 1 1353 . 1 1 121 121 VAL HG21 H 1 0.981 0.03 . 2 . . . . 119 VAL HG2 . 7107 1 1354 . 1 1 121 121 VAL HG22 H 1 0.981 0.03 . 2 . . . . 119 VAL HG2 . 7107 1 1355 . 1 1 121 121 VAL HG23 H 1 0.981 0.03 . 2 . . . . 119 VAL HG2 . 7107 1 1356 . 1 1 121 121 VAL C C 13 177.500 0.4 . 1 . . . . 119 VAL C . 7107 1 1357 . 1 1 121 121 VAL CA C 13 60.329 0.4 . 1 . . . . 119 VAL CA . 7107 1 1358 . 1 1 121 121 VAL CB C 13 35.392 0.4 . 1 . . . . 119 VAL CB . 7107 1 1359 . 1 1 121 121 VAL CG1 C 13 21.503 0.4 . 2 . . . . 119 VAL CG1 . 7107 1 1360 . 1 1 121 121 VAL CG2 C 13 20.713 0.4 . 2 . . . . 119 VAL CG2 . 7107 1 1361 . 1 1 121 121 VAL N N 15 121.300 0.4 . 1 . . . . 119 VAL N . 7107 1 1362 . 1 1 122 122 MET H H 1 9.144 0.03 . 1 . . . . 120 MET H . 7107 1 1363 . 1 1 122 122 MET HA H 1 4.988 0.03 . 1 . . . . 120 MET HA . 7107 1 1364 . 1 1 122 122 MET HB2 H 1 1.893 0.03 . 2 . . . . 120 MET HB2 . 7107 1 1365 . 1 1 122 122 MET HB3 H 1 2.123 0.03 . 2 . . . . 120 MET HB3 . 7107 1 1366 . 1 1 122 122 MET HG2 H 1 2.432 0.03 . 2 . . . . 120 MET HG2 . 7107 1 1367 . 1 1 122 122 MET HG3 H 1 2.960 0.03 . 2 . . . . 120 MET HG3 . 7107 1 1368 . 1 1 122 122 MET C C 13 174.200 0.4 . 1 . . . . 120 MET C . 7107 1 1369 . 1 1 122 122 MET CA C 13 56.532 0.4 . 1 . . . . 120 MET CA . 7107 1 1370 . 1 1 122 122 MET CB C 13 34.900 0.4 . 1 . . . . 120 MET CB . 7107 1 1371 . 1 1 122 122 MET CG C 13 32.743 0.4 . 1 . . . . 120 MET CG . 7107 1 1372 . 1 1 122 122 MET N N 15 129.900 0.4 . 1 . . . . 120 MET N . 7107 1 1373 . 1 1 123 123 ASN H H 1 10.018 0.03 . 1 . . . . 121 ASN H . 7107 1 1374 . 1 1 123 123 ASN HA H 1 4.333 0.03 . 1 . . . . 121 ASN HA . 7107 1 1375 . 1 1 123 123 ASN HB2 H 1 2.960 0.03 . 2 . . . . 121 ASN HB2 . 7107 1 1376 . 1 1 123 123 ASN HB3 H 1 3.244 0.03 . 2 . . . . 121 ASN HB3 . 7107 1 1377 . 1 1 123 123 ASN HD21 H 1 8.936 0.03 . 1 . . . . 121 ASN HD21 . 7107 1 1378 . 1 1 123 123 ASN HD22 H 1 6.960 0.03 . 1 . . . . 121 ASN HD22 . 7107 1 1379 . 1 1 123 123 ASN CA C 13 55.092 0.4 . 1 . . . . 121 ASN CA . 7107 1 1380 . 1 1 123 123 ASN CB C 13 36.330 0.4 . 1 . . . . 121 ASN CB . 7107 1 1381 . 1 1 123 123 ASN N N 15 127.400 0.4 . 1 . . . . 121 ASN N . 7107 1 1382 . 1 1 123 123 ASN ND2 N 15 115.400 0.4 . 1 . . . . 121 ASN ND2 . 7107 1 1383 . 1 1 124 124 ASN HA H 1 4.680 0.03 . 1 . . . . 122 ASN HA . 7107 1 1384 . 1 1 124 124 ASN HB2 H 1 2.882 0.03 . 2 . . . . 122 ASN HB2 . 7107 1 1385 . 1 1 124 124 ASN HB3 H 1 3.018 0.03 . 2 . . . . 122 ASN HB3 . 7107 1 1386 . 1 1 124 124 ASN HD21 H 1 7.612 0.03 . 1 . . . . 122 ASN HD21 . 7107 1 1387 . 1 1 124 124 ASN HD22 H 1 6.938 0.03 . 1 . . . . 122 ASN HD22 . 7107 1 1388 . 1 1 124 124 ASN C C 13 174.300 0.4 . 1 . . . . 122 ASN C . 7107 1 1389 . 1 1 124 124 ASN CA C 13 54.070 0.4 . 1 . . . . 122 ASN CA . 7107 1 1390 . 1 1 124 124 ASN CB C 13 38.160 0.4 . 1 . . . . 122 ASN CB . 7107 1 1391 . 1 1 124 124 ASN ND2 N 15 113.100 0.4 . 1 . . . . 122 ASN ND2 . 7107 1 1392 . 1 1 125 125 VAL H H 1 8.571 0.03 . 1 . . . . 123 VAL H . 7107 1 1393 . 1 1 125 125 VAL HA H 1 4.231 0.03 . 1 . . . . 123 VAL HA . 7107 1 1394 . 1 1 125 125 VAL HB H 1 2.420 0.03 . 1 . . . . 123 VAL HB . 7107 1 1395 . 1 1 125 125 VAL HG11 H 1 1.017 0.03 . 2 . . . . 123 VAL HG1 . 7107 1 1396 . 1 1 125 125 VAL HG12 H 1 1.017 0.03 . 2 . . . . 123 VAL HG1 . 7107 1 1397 . 1 1 125 125 VAL HG13 H 1 1.017 0.03 . 2 . . . . 123 VAL HG1 . 7107 1 1398 . 1 1 125 125 VAL HG21 H 1 0.940 0.03 . 2 . . . . 123 VAL HG2 . 7107 1 1399 . 1 1 125 125 VAL HG22 H 1 0.940 0.03 . 2 . . . . 123 VAL HG2 . 7107 1 1400 . 1 1 125 125 VAL HG23 H 1 0.940 0.03 . 2 . . . . 123 VAL HG2 . 7107 1 1401 . 1 1 125 125 VAL C C 13 174.700 0.4 . 1 . . . . 123 VAL C . 7107 1 1402 . 1 1 125 125 VAL CA C 13 63.079 0.4 . 1 . . . . 123 VAL CA . 7107 1 1403 . 1 1 125 125 VAL CB C 13 33.048 0.4 . 1 . . . . 123 VAL CB . 7107 1 1404 . 1 1 125 125 VAL CG1 C 13 21.364 0.4 . 2 . . . . 123 VAL CG1 . 7107 1 1405 . 1 1 125 125 VAL CG2 C 13 21.179 0.4 . 2 . . . . 123 VAL CG2 . 7107 1 1406 . 1 1 125 125 VAL N N 15 124.000 0.4 . 1 . . . . 123 VAL N . 7107 1 1407 . 1 1 126 126 THR H H 1 8.350 0.03 . 1 . . . . 124 THR H . 7107 1 1408 . 1 1 126 126 THR HA H 1 5.341 0.03 . 1 . . . . 124 THR HA . 7107 1 1409 . 1 1 126 126 THR HB H 1 3.957 0.03 . 1 . . . . 124 THR HB . 7107 1 1410 . 1 1 126 126 THR HG21 H 1 1.046 0.03 . 1 . . . . 124 THR HG2 . 7107 1 1411 . 1 1 126 126 THR HG22 H 1 1.046 0.03 . 1 . . . . 124 THR HG2 . 7107 1 1412 . 1 1 126 126 THR HG23 H 1 1.046 0.03 . 1 . . . . 124 THR HG2 . 7107 1 1413 . 1 1 126 126 THR C C 13 173.700 0.4 . 1 . . . . 124 THR C . 7107 1 1414 . 1 1 126 126 THR CA C 13 60.763 0.4 . 1 . . . . 124 THR CA . 7107 1 1415 . 1 1 126 126 THR CB C 13 71.000 0.4 . 1 . . . . 124 THR CB . 7107 1 1416 . 1 1 126 126 THR CG2 C 13 21.202 0.4 . 1 . . . . 124 THR CG2 . 7107 1 1417 . 1 1 126 126 THR N N 15 120.600 0.4 . 1 . . . . 124 THR N . 7107 1 1418 . 1 1 127 127 CYS H H 1 9.019 0.03 . 1 . . . . 125 CYS H . 7107 1 1419 . 1 1 127 127 CYS HA H 1 5.288 0.03 . 1 . . . . 125 CYS HA . 7107 1 1420 . 1 1 127 127 CYS HB2 H 1 2.284 0.03 . 2 . . . . 125 CYS HB2 . 7107 1 1421 . 1 1 127 127 CYS HB3 H 1 3.232 0.03 . 2 . . . . 125 CYS HB3 . 7107 1 1422 . 1 1 127 127 CYS C C 13 173.100 0.4 . 1 . . . . 125 CYS C . 7107 1 1423 . 1 1 127 127 CYS CA C 13 55.295 0.4 . 1 . . . . 125 CYS CA . 7107 1 1424 . 1 1 127 127 CYS CB C 13 29.700 0.4 . 1 . . . . 125 CYS CB . 7107 1 1425 . 1 1 127 127 CYS N N 15 125.000 0.4 . 1 . . . . 125 CYS N . 7107 1 1426 . 1 1 128 128 THR H H 1 8.667 0.03 . 1 . . . . 126 THR H . 7107 1 1427 . 1 1 128 128 THR HA H 1 5.314 0.03 . 1 . . . . 126 THR HA . 7107 1 1428 . 1 1 128 128 THR HB H 1 3.778 0.03 . 1 . . . . 126 THR HB . 7107 1 1429 . 1 1 128 128 THR HG21 H 1 1.104 0.03 . 1 . . . . 126 THR HG2 . 7107 1 1430 . 1 1 128 128 THR HG22 H 1 1.104 0.03 . 1 . . . . 126 THR HG2 . 7107 1 1431 . 1 1 128 128 THR HG23 H 1 1.104 0.03 . 1 . . . . 126 THR HG2 . 7107 1 1432 . 1 1 128 128 THR C C 13 173.800 0.4 . 1 . . . . 126 THR C . 7107 1 1433 . 1 1 128 128 THR CA C 13 61.985 0.4 . 1 . . . . 126 THR CA . 7107 1 1434 . 1 1 128 128 THR CB C 13 70.976 0.4 . 1 . . . . 126 THR CB . 7107 1 1435 . 1 1 128 128 THR CG2 C 13 20.816 0.4 . 1 . . . . 126 THR CG2 . 7107 1 1436 . 1 1 128 128 THR N N 15 122.100 0.4 . 1 . . . . 126 THR N . 7107 1 1437 . 1 1 129 129 ARG H H 1 9.893 0.03 . 1 . . . . 127 ARG H . 7107 1 1438 . 1 1 129 129 ARG HA H 1 4.912 0.03 . 1 . . . . 127 ARG HA . 7107 1 1439 . 1 1 129 129 ARG HB2 H 1 1.523 0.03 . 2 . . . . 127 ARG HB2 . 7107 1 1440 . 1 1 129 129 ARG HB3 H 1 1.717 0.03 . 2 . . . . 127 ARG HB3 . 7107 1 1441 . 1 1 129 129 ARG C C 13 173.200 0.4 . 1 . . . . 127 ARG C . 7107 1 1442 . 1 1 129 129 ARG CA C 13 54.381 0.4 . 1 . . . . 127 ARG CA . 7107 1 1443 . 1 1 129 129 ARG CB C 13 34.000 0.4 . 1 . . . . 127 ARG CB . 7107 1 1444 . 1 1 129 129 ARG N N 15 130.500 0.4 . 1 . . . . 127 ARG N . 7107 1 1445 . 1 1 130 130 ILE H H 1 8.692 0.03 . 1 . . . . 128 ILE H . 7107 1 1446 . 1 1 130 130 ILE HA H 1 5.112 0.03 . 1 . . . . 128 ILE HA . 7107 1 1447 . 1 1 130 130 ILE HG12 H 1 1.172 0.03 . 1 . . . . 128 ILE HG12 . 7107 1 1448 . 1 1 130 130 ILE HG13 H 1 1.172 0.03 . 1 . . . . 128 ILE HG13 . 7107 1 1449 . 1 1 130 130 ILE HG21 H 1 0.880 0.03 . 1 . . . . 128 ILE HG2 . 7107 1 1450 . 1 1 130 130 ILE HG22 H 1 0.880 0.03 . 1 . . . . 128 ILE HG2 . 7107 1 1451 . 1 1 130 130 ILE HG23 H 1 0.880 0.03 . 1 . . . . 128 ILE HG2 . 7107 1 1452 . 1 1 130 130 ILE HD11 H 1 0.842 0.03 . 1 . . . . 128 ILE HD1 . 7107 1 1453 . 1 1 130 130 ILE HD12 H 1 0.842 0.03 . 1 . . . . 128 ILE HD1 . 7107 1 1454 . 1 1 130 130 ILE HD13 H 1 0.842 0.03 . 1 . . . . 128 ILE HD1 . 7107 1 1455 . 1 1 130 130 ILE C C 13 174.700 0.4 . 1 . . . . 128 ILE C . 7107 1 1456 . 1 1 130 130 ILE CA C 13 59.717 0.4 . 1 . . . . 128 ILE CA . 7107 1 1457 . 1 1 130 130 ILE CB C 13 39.915 0.4 . 1 . . . . 128 ILE CB . 7107 1 1458 . 1 1 130 130 ILE CG1 C 13 27.624 0.4 . 1 . . . . 128 ILE CG1 . 7107 1 1459 . 1 1 130 130 ILE CG2 C 13 18.185 0.4 . 1 . . . . 128 ILE CG2 . 7107 1 1460 . 1 1 130 130 ILE CD1 C 13 12.819 0.4 . 1 . . . . 128 ILE CD1 . 7107 1 1461 . 1 1 130 130 ILE N N 15 122.300 0.4 . 1 . . . . 128 ILE N . 7107 1 1462 . 1 1 131 131 TYR H H 1 9.873 0.03 . 1 . . . . 129 TYR H . 7107 1 1463 . 1 1 131 131 TYR HA H 1 5.482 0.03 . 1 . . . . 129 TYR HA . 7107 1 1464 . 1 1 131 131 TYR HB2 H 1 3.128 0.03 . 1 . . . . 129 TYR HB2 . 7107 1 1465 . 1 1 131 131 TYR HB3 H 1 3.128 0.03 . 1 . . . . 129 TYR HB3 . 7107 1 1466 . 1 1 131 131 TYR HD1 H 1 6.901 0.03 . 1 . . . . 129 TYR HD1 . 7107 1 1467 . 1 1 131 131 TYR HD2 H 1 6.901 0.03 . 1 . . . . 129 TYR HD2 . 7107 1 1468 . 1 1 131 131 TYR HE1 H 1 6.516 0.03 . 1 . . . . 129 TYR HE1 . 7107 1 1469 . 1 1 131 131 TYR HE2 H 1 6.516 0.03 . 1 . . . . 129 TYR HE2 . 7107 1 1470 . 1 1 131 131 TYR C C 13 175.000 0.4 . 1 . . . . 129 TYR C . 7107 1 1471 . 1 1 131 131 TYR CA C 13 56.222 0.4 . 1 . . . . 129 TYR CA . 7107 1 1472 . 1 1 131 131 TYR CB C 13 42.940 0.4 . 1 . . . . 129 TYR CB . 7107 1 1473 . 1 1 131 131 TYR CD1 C 13 133.100 0.4 . 1 . . . . 129 TYR CD1 . 7107 1 1474 . 1 1 131 131 TYR CD2 C 13 133.100 0.4 . 1 . . . . 129 TYR CD2 . 7107 1 1475 . 1 1 131 131 TYR N N 15 127.200 0.4 . 1 . . . . 129 TYR N . 7107 1 1476 . 1 1 132 132 GLU H H 1 9.400 0.03 . 1 . . . . 130 GLU H . 7107 1 1477 . 1 1 132 132 GLU HA H 1 5.381 0.03 . 1 . . . . 130 GLU HA . 7107 1 1478 . 1 1 132 132 GLU HB2 H 1 2.064 0.03 . 1 . . . . 130 GLU HB2 . 7107 1 1479 . 1 1 132 132 GLU HB3 H 1 2.064 0.03 . 1 . . . . 130 GLU HB3 . 7107 1 1480 . 1 1 132 132 GLU HG2 H 1 2.310 0.03 . 2 . . . . 130 GLU HG2 . 7107 1 1481 . 1 1 132 132 GLU HG3 H 1 2.438 0.03 . 2 . . . . 130 GLU HG3 . 7107 1 1482 . 1 1 132 132 GLU C C 13 176.100 0.4 . 1 . . . . 130 GLU C . 7107 1 1483 . 1 1 132 132 GLU CA C 13 53.710 0.4 . 1 . . . . 130 GLU CA . 7107 1 1484 . 1 1 132 132 GLU CB C 13 33.194 0.4 . 1 . . . . 130 GLU CB . 7107 1 1485 . 1 1 132 132 GLU CG C 13 36.538 0.4 . 1 . . . . 130 GLU CG . 7107 1 1486 . 1 1 132 132 GLU N N 15 120.100 0.4 . 1 . . . . 130 GLU N . 7107 1 1487 . 1 1 133 133 LYS H H 1 9.504 0.03 . 1 . . . . 131 LYS H . 7107 1 1488 . 1 1 133 133 LYS HA H 1 3.691 0.03 . 1 . . . . 131 LYS HA . 7107 1 1489 . 1 1 133 133 LYS HB2 H 1 1.220 0.03 . 2 . . . . 131 LYS HB2 . 7107 1 1490 . 1 1 133 133 LYS HB3 H 1 1.523 0.03 . 2 . . . . 131 LYS HB3 . 7107 1 1491 . 1 1 133 133 LYS HG2 H 1 0.176 0.03 . 2 . . . . 131 LYS HG2 . 7107 1 1492 . 1 1 133 133 LYS HG3 H 1 0.877 0.03 . 2 . . . . 131 LYS HG3 . 7107 1 1493 . 1 1 133 133 LYS HD2 H 1 1.031 0.03 . 2 . . . . 131 LYS HD2 . 7107 1 1494 . 1 1 133 133 LYS HD3 H 1 1.110 0.03 . 2 . . . . 131 LYS HD3 . 7107 1 1495 . 1 1 133 133 LYS HE2 H 1 2.529 0.03 . 2 . . . . 131 LYS HE2 . 7107 1 1496 . 1 1 133 133 LYS HE3 H 1 2.543 0.03 . 2 . . . . 131 LYS HE3 . 7107 1 1497 . 1 1 133 133 LYS C C 13 176.900 0.4 . 1 . . . . 131 LYS C . 7107 1 1498 . 1 1 133 133 LYS CA C 13 57.537 0.4 . 1 . . . . 131 LYS CA . 7107 1 1499 . 1 1 133 133 LYS CB C 13 32.700 0.4 . 1 . . . . 131 LYS CB . 7107 1 1500 . 1 1 133 133 LYS CG C 13 24.657 0.4 . 1 . . . . 131 LYS CG . 7107 1 1501 . 1 1 133 133 LYS CD C 13 28.292 0.4 . 1 . . . . 131 LYS CD . 7107 1 1502 . 1 1 133 133 LYS CE C 13 42.137 0.4 . 1 . . . . 131 LYS CE . 7107 1 1503 . 1 1 133 133 LYS N N 15 127.400 0.4 . 1 . . . . 131 LYS N . 7107 1 1504 . 1 1 134 134 VAL H H 1 8.776 0.03 . 1 . . . . 132 VAL H . 7107 1 1505 . 1 1 134 134 VAL HA H 1 4.058 0.03 . 1 . . . . 132 VAL HA . 7107 1 1506 . 1 1 134 134 VAL HB H 1 1.727 0.03 . 1 . . . . 132 VAL HB . 7107 1 1507 . 1 1 134 134 VAL HG11 H 1 0.866 0.03 . 2 . . . . 132 VAL HG1 . 7107 1 1508 . 1 1 134 134 VAL HG12 H 1 0.866 0.03 . 2 . . . . 132 VAL HG1 . 7107 1 1509 . 1 1 134 134 VAL HG13 H 1 0.866 0.03 . 2 . . . . 132 VAL HG1 . 7107 1 1510 . 1 1 134 134 VAL HG21 H 1 0.826 0.03 . 2 . . . . 132 VAL HG2 . 7107 1 1511 . 1 1 134 134 VAL HG22 H 1 0.826 0.03 . 2 . . . . 132 VAL HG2 . 7107 1 1512 . 1 1 134 134 VAL HG23 H 1 0.826 0.03 . 2 . . . . 132 VAL HG2 . 7107 1 1513 . 1 1 134 134 VAL C C 13 175.100 0.4 . 1 . . . . 132 VAL C . 7107 1 1514 . 1 1 134 134 VAL CA C 13 62.364 0.4 . 1 . . . . 132 VAL CA . 7107 1 1515 . 1 1 134 134 VAL CB C 13 32.644 0.4 . 1 . . . . 132 VAL CB . 7107 1 1516 . 1 1 134 134 VAL CG1 C 13 21.245 0.4 . 2 . . . . 132 VAL CG1 . 7107 1 1517 . 1 1 134 134 VAL CG2 C 13 21.606 0.4 . 2 . . . . 132 VAL CG2 . 7107 1 1518 . 1 1 134 134 VAL N N 15 127.500 0.4 . 1 . . . . 132 VAL N . 7107 1 1519 . 1 1 135 135 GLU H H 1 7.965 0.03 . 1 . . . . 133 GLU H . 7107 1 1520 . 1 1 135 135 GLU HA H 1 4.093 0.03 . 1 . . . . 133 GLU HA . 7107 1 1521 . 1 1 135 135 GLU HB2 H 1 1.826 0.03 . 2 . . . . 133 GLU HB2 . 7107 1 1522 . 1 1 135 135 GLU HB3 H 1 1.998 0.03 . 2 . . . . 133 GLU HB3 . 7107 1 1523 . 1 1 135 135 GLU HG2 H 1 2.098 0.03 . 1 . . . . 133 GLU HG2 . 7107 1 1524 . 1 1 135 135 GLU HG3 H 1 2.098 0.03 . 1 . . . . 133 GLU HG3 . 7107 1 1525 . 1 1 135 135 GLU CA C 13 57.780 0.4 . 1 . . . . 133 GLU CA . 7107 1 1526 . 1 1 135 135 GLU CB C 13 31.405 0.4 . 1 . . . . 133 GLU CB . 7107 1 1527 . 1 1 135 135 GLU CG C 13 36.474 0.4 . 1 . . . . 133 GLU CG . 7107 1 1528 . 1 1 135 135 GLU N N 15 129.300 0.4 . 1 . . . . 133 GLU N . 7107 1 stop_ save_