data_7220 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7220 _Entry.Title ; ephrinB2 ectodomain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-10 _Entry.Accession_date 2006-07-11 _Entry.Last_release_date . _Entry.Original_release_date . _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 Xiaoyuan Ran . . . 7220 2 Jingsong Fan . . . 7220 3 Jianxing Song . . . 7220 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7220 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 561 7220 '15N chemical shifts' 154 7220 '1H chemical shifts' 800 7220 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-16 2006-07-10 update BMRB 'complete entry citation' 7220 1 . . 2006-11-06 2006-07-10 original author 'original release' 7220 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2I85 'BMRB Entry Tracking System' 7220 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7220 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17061024 _Citation.Full_citation . _Citation.Title 'NMR assignment of Human ephrinB2 ectodomain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 38 _Citation.Journal_issue 2 _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 171 _Citation.Page_last 171 _Citation.Year 2007 _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 Xiaoyuan Ran . . . 7220 1 2 Jing-song Fan . . . 7220 1 3 Jianxing Song . . . 7220 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ectodomain 7220 1 NMR 7220 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7220 _Assembly.ID 1 _Assembly.Name 'ephrinB2 ectodomain monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _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 disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ephrinB2 ectodomain monomer' 1 $ephrinB2_ectodomain . . yes native no no . . . 7220 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 38 38 SG . 1 . 1 CYS 77 77 SG . . . . . . . . . . 7220 1 2 disulfide single . 1 . 1 CYS 65 65 SG . 1 . 1 CYS 129 129 SG . . . . . . . . . . 7220 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ephrinB2_ectodomain _Entity.Sf_category entity _Entity.Sf_framecode ephrinB2_ectodomain _Entity.Entry_ID 7220 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ephrinB2 ectodomain' _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 ; SKSIVLEPIYWNSSNSKFLP GQGLVLYPQIGDKLDIICPK VDSKTVGQYEYYKVYMVDKD QADRCTIKKENTPLLNCAKP DQDIKFTIKFQEFSPNLWGL EFQKNKDYYIISTSNGSLEG LDNQEGGVCQTRAMKILMKV GQDASSAGSTR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 PDB 1IKO . "Crystal Structure Of The Murine Ephrin-B2 Ectodomain" . . . . . 98.68 178 97.99 99.33 1.29e-103 . . . . 7220 1 2 no PDB 1KGY . "Crystal Structure Of The Ephb2-Ephrinb2 Complex" . . . . . 91.39 138 97.83 99.28 1.13e-94 . . . . 7220 1 3 no PDB 2HLE . "Structural And Biophysical Characterization Of The Ephb4-ephrinb2 Protein Protein Interaction And Receptor Specificity" . . . . . 91.39 138 98.55 100.00 1.02e-95 . . . . 7220 1 4 no PDB 2I85 . "Nmr Solution Structure Of Human Ephrinb2 Ectodomain" . . . . . 94.04 142 100.00 100.00 7.65e-99 . . . . 7220 1 5 no PDB 2VSK . "Hendra Virus Attachment Glycoprotein In Complex With Human Cell Surface Receptor Ephrinb2" . . . . . 91.39 138 100.00 100.00 3.70e-96 . . . . 7220 1 6 no PDB 2VSM . "Nipah Virus Attachment Glycoprotein In Complex With Human Cell Surface Receptor Ephrinb2" . . . . . 92.05 140 99.28 99.28 1.72e-96 . . . . 7220 1 7 no PDB 2WO2 . "Crystal Structure Of The Epha4-Ephrinb2 Complex" . . . . . 94.70 153 98.60 99.30 1.55e-99 . . . . 7220 1 8 no PDB 3GXU . "Crystal Structure Of Eph Receptor And Ephrin Complex" . . . . . 94.70 143 100.00 100.00 7.31e-100 . . . . 7220 1 9 no DBJ BAE21211 . "unnamed protein product [Mus musculus]" . . . . . 100.00 386 97.35 99.34 2.44e-102 . . . . 7220 1 10 no DBJ BAE21388 . "unnamed protein product [Mus musculus]" . . . . . 100.00 336 97.35 99.34 2.96e-103 . . . . 7220 1 11 no DBJ BAE22016 . "unnamed protein product [Mus musculus]" . . . . . 100.00 336 97.35 99.34 2.96e-103 . . . . 7220 1 12 no DBJ BAE24974 . "unnamed protein product [Mus musculus]" . . . . . 100.00 336 97.35 99.34 2.96e-103 . . . . 7220 1 13 no DBJ BAE25008 . "unnamed protein product [Mus musculus]" . . . . . 100.00 336 97.35 99.34 2.96e-103 . . . . 7220 1 14 no EMBL CAJ18588 . "Efnb2 [Mus musculus]" . . . . . 100.00 336 97.35 99.34 2.96e-103 . . . . 7220 1 15 no GB AAA82934 . "ELF-2 precursor [Mus musculus]" . . . . . 100.00 334 97.35 99.34 2.93e-103 . . . . 7220 1 16 no GB AAA99707 . "LERK-5 [Homo sapiens]" . . . . . 100.00 333 100.00 100.00 2.02e-104 . . . . 7220 1 17 no GB AAA99708 . "LERK-5 [Mus musculus]" . . . . . 100.00 336 98.01 100.00 6.17e-104 . . . . 7220 1 18 no GB AAC41752 . "hepatoma transmembrane kinase ligand [Homo sapiens]" . . . . . 100.00 333 100.00 100.00 2.02e-104 . . . . 7220 1 19 no GB AAC42052 . "hepatoma transmembrane kinase ligand [Mus musculus]" . . . . . 100.00 336 97.35 99.34 2.96e-103 . . . . 7220 1 20 no PRF 2108400A . "htk ligand" . . . . . 100.00 336 97.35 99.34 2.96e-103 . . . . 7220 1 21 no PRF 2108400B . "htk ligand" . . . . . 100.00 333 100.00 100.00 2.02e-104 . . . . 7220 1 22 no REF NP_001100798 . "ephrin-B2 [Rattus norvegicus]" . . . . . 100.00 336 97.35 100.00 2.86e-103 . . . . 7220 1 23 no REF NP_001107758 . "ephrin-B2 [Sus scrofa]" . . . . . 100.00 333 97.35 100.00 1.19e-103 . . . . 7220 1 24 no REF NP_004084 . "ephrin-B2 precursor [Homo sapiens]" . . . . . 100.00 333 100.00 100.00 2.02e-104 . . . . 7220 1 25 no REF NP_034241 . "ephrin-B2 precursor [Mus musculus]" . . . . . 100.00 336 97.35 99.34 2.96e-103 . . . . 7220 1 26 no REF XP_001134800 . "PREDICTED: ephrin-B2 [Pan troglodytes]" . . . . . 100.00 333 100.00 100.00 2.02e-104 . . . . 7220 1 27 no SP P52799 . "RecName: Full=Ephrin-B2; AltName: Full=EPH-related receptor tyrosine kinase ligand 5; Short=LERK-5; AltName: Full=HTK ligand; S" . . . . . 100.00 333 100.00 100.00 2.02e-104 . . . . 7220 1 28 no SP P52800 . "RecName: Full=Ephrin-B2; AltName: Full=ELF-2; AltName: Full=EPH-related receptor tyrosine kinase ligand 5; Short=LERK-5; AltNam" . . . . . 100.00 336 97.35 99.34 2.96e-103 . . . . 7220 1 29 no TPG DAA23728 . "TPA: ephrin-B2-like [Bos taurus]" . . . . . 88.74 472 97.76 100.00 1.85e-91 . . . . 7220 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 . SER . 7220 1 2 . LYS . 7220 1 3 . SER . 7220 1 4 . ILE . 7220 1 5 . VAL . 7220 1 6 . LEU . 7220 1 7 . GLU . 7220 1 8 . PRO . 7220 1 9 . ILE . 7220 1 10 . TYR . 7220 1 11 . TRP . 7220 1 12 . ASN . 7220 1 13 . SER . 7220 1 14 . SER . 7220 1 15 . ASN . 7220 1 16 . SER . 7220 1 17 . LYS . 7220 1 18 . PHE . 7220 1 19 . LEU . 7220 1 20 . PRO . 7220 1 21 . GLY . 7220 1 22 . GLN . 7220 1 23 . GLY . 7220 1 24 . LEU . 7220 1 25 . VAL . 7220 1 26 . LEU . 7220 1 27 . TYR . 7220 1 28 . PRO . 7220 1 29 . GLN . 7220 1 30 . ILE . 7220 1 31 . GLY . 7220 1 32 . ASP . 7220 1 33 . LYS . 7220 1 34 . LEU . 7220 1 35 . ASP . 7220 1 36 . ILE . 7220 1 37 . ILE . 7220 1 38 . CYS . 7220 1 39 . PRO . 7220 1 40 . LYS . 7220 1 41 . VAL . 7220 1 42 . ASP . 7220 1 43 . SER . 7220 1 44 . LYS . 7220 1 45 . THR . 7220 1 46 . VAL . 7220 1 47 . GLY . 7220 1 48 . GLN . 7220 1 49 . TYR . 7220 1 50 . GLU . 7220 1 51 . TYR . 7220 1 52 . TYR . 7220 1 53 . LYS . 7220 1 54 . VAL . 7220 1 55 . TYR . 7220 1 56 . MET . 7220 1 57 . VAL . 7220 1 58 . ASP . 7220 1 59 . LYS . 7220 1 60 . ASP . 7220 1 61 . GLN . 7220 1 62 . ALA . 7220 1 63 . ASP . 7220 1 64 . ARG . 7220 1 65 . CYS . 7220 1 66 . THR . 7220 1 67 . ILE . 7220 1 68 . LYS . 7220 1 69 . LYS . 7220 1 70 . GLU . 7220 1 71 . ASN . 7220 1 72 . THR . 7220 1 73 . PRO . 7220 1 74 . LEU . 7220 1 75 . LEU . 7220 1 76 . ASN . 7220 1 77 . CYS . 7220 1 78 . ALA . 7220 1 79 . LYS . 7220 1 80 . PRO . 7220 1 81 . ASP . 7220 1 82 . GLN . 7220 1 83 . ASP . 7220 1 84 . ILE . 7220 1 85 . LYS . 7220 1 86 . PHE . 7220 1 87 . THR . 7220 1 88 . ILE . 7220 1 89 . LYS . 7220 1 90 . PHE . 7220 1 91 . GLN . 7220 1 92 . GLU . 7220 1 93 . PHE . 7220 1 94 . SER . 7220 1 95 . PRO . 7220 1 96 . ASN . 7220 1 97 . LEU . 7220 1 98 . TRP . 7220 1 99 . GLY . 7220 1 100 . LEU . 7220 1 101 . GLU . 7220 1 102 . PHE . 7220 1 103 . GLN . 7220 1 104 . LYS . 7220 1 105 . ASN . 7220 1 106 . LYS . 7220 1 107 . ASP . 7220 1 108 . TYR . 7220 1 109 . TYR . 7220 1 110 . ILE . 7220 1 111 . ILE . 7220 1 112 . SER . 7220 1 113 . THR . 7220 1 114 . SER . 7220 1 115 . ASN . 7220 1 116 . GLY . 7220 1 117 . SER . 7220 1 118 . LEU . 7220 1 119 . GLU . 7220 1 120 . GLY . 7220 1 121 . LEU . 7220 1 122 . ASP . 7220 1 123 . ASN . 7220 1 124 . GLN . 7220 1 125 . GLU . 7220 1 126 . GLY . 7220 1 127 . GLY . 7220 1 128 . VAL . 7220 1 129 . CYS . 7220 1 130 . GLN . 7220 1 131 . THR . 7220 1 132 . ARG . 7220 1 133 . ALA . 7220 1 134 . MET . 7220 1 135 . LYS . 7220 1 136 . ILE . 7220 1 137 . LEU . 7220 1 138 . MET . 7220 1 139 . LYS . 7220 1 140 . VAL . 7220 1 141 . GLY . 7220 1 142 . GLN . 7220 1 143 . ASP . 7220 1 144 . ALA . 7220 1 145 . SER . 7220 1 146 . SER . 7220 1 147 . ALA . 7220 1 148 . GLY . 7220 1 149 . SER . 7220 1 150 . THR . 7220 1 151 . ARG . 7220 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 . SER 1 1 7220 1 . LYS 2 2 7220 1 . SER 3 3 7220 1 . ILE 4 4 7220 1 . VAL 5 5 7220 1 . LEU 6 6 7220 1 . GLU 7 7 7220 1 . PRO 8 8 7220 1 . ILE 9 9 7220 1 . TYR 10 10 7220 1 . TRP 11 11 7220 1 . ASN 12 12 7220 1 . SER 13 13 7220 1 . SER 14 14 7220 1 . ASN 15 15 7220 1 . SER 16 16 7220 1 . LYS 17 17 7220 1 . PHE 18 18 7220 1 . LEU 19 19 7220 1 . PRO 20 20 7220 1 . GLY 21 21 7220 1 . GLN 22 22 7220 1 . GLY 23 23 7220 1 . LEU 24 24 7220 1 . VAL 25 25 7220 1 . LEU 26 26 7220 1 . TYR 27 27 7220 1 . PRO 28 28 7220 1 . GLN 29 29 7220 1 . ILE 30 30 7220 1 . GLY 31 31 7220 1 . ASP 32 32 7220 1 . LYS 33 33 7220 1 . LEU 34 34 7220 1 . ASP 35 35 7220 1 . ILE 36 36 7220 1 . ILE 37 37 7220 1 . CYS 38 38 7220 1 . PRO 39 39 7220 1 . LYS 40 40 7220 1 . VAL 41 41 7220 1 . ASP 42 42 7220 1 . SER 43 43 7220 1 . LYS 44 44 7220 1 . THR 45 45 7220 1 . VAL 46 46 7220 1 . GLY 47 47 7220 1 . GLN 48 48 7220 1 . TYR 49 49 7220 1 . GLU 50 50 7220 1 . TYR 51 51 7220 1 . TYR 52 52 7220 1 . LYS 53 53 7220 1 . VAL 54 54 7220 1 . TYR 55 55 7220 1 . MET 56 56 7220 1 . VAL 57 57 7220 1 . ASP 58 58 7220 1 . LYS 59 59 7220 1 . ASP 60 60 7220 1 . GLN 61 61 7220 1 . ALA 62 62 7220 1 . ASP 63 63 7220 1 . ARG 64 64 7220 1 . CYS 65 65 7220 1 . THR 66 66 7220 1 . ILE 67 67 7220 1 . LYS 68 68 7220 1 . LYS 69 69 7220 1 . GLU 70 70 7220 1 . ASN 71 71 7220 1 . THR 72 72 7220 1 . PRO 73 73 7220 1 . LEU 74 74 7220 1 . LEU 75 75 7220 1 . ASN 76 76 7220 1 . CYS 77 77 7220 1 . ALA 78 78 7220 1 . LYS 79 79 7220 1 . PRO 80 80 7220 1 . ASP 81 81 7220 1 . GLN 82 82 7220 1 . ASP 83 83 7220 1 . ILE 84 84 7220 1 . LYS 85 85 7220 1 . PHE 86 86 7220 1 . THR 87 87 7220 1 . ILE 88 88 7220 1 . LYS 89 89 7220 1 . PHE 90 90 7220 1 . GLN 91 91 7220 1 . GLU 92 92 7220 1 . PHE 93 93 7220 1 . SER 94 94 7220 1 . PRO 95 95 7220 1 . ASN 96 96 7220 1 . LEU 97 97 7220 1 . TRP 98 98 7220 1 . GLY 99 99 7220 1 . LEU 100 100 7220 1 . GLU 101 101 7220 1 . PHE 102 102 7220 1 . GLN 103 103 7220 1 . LYS 104 104 7220 1 . ASN 105 105 7220 1 . LYS 106 106 7220 1 . ASP 107 107 7220 1 . TYR 108 108 7220 1 . TYR 109 109 7220 1 . ILE 110 110 7220 1 . ILE 111 111 7220 1 . SER 112 112 7220 1 . THR 113 113 7220 1 . SER 114 114 7220 1 . ASN 115 115 7220 1 . GLY 116 116 7220 1 . SER 117 117 7220 1 . LEU 118 118 7220 1 . GLU 119 119 7220 1 . GLY 120 120 7220 1 . LEU 121 121 7220 1 . ASP 122 122 7220 1 . ASN 123 123 7220 1 . GLN 124 124 7220 1 . GLU 125 125 7220 1 . GLY 126 126 7220 1 . GLY 127 127 7220 1 . VAL 128 128 7220 1 . CYS 129 129 7220 1 . GLN 130 130 7220 1 . THR 131 131 7220 1 . ARG 132 132 7220 1 . ALA 133 133 7220 1 . MET 134 134 7220 1 . LYS 135 135 7220 1 . ILE 136 136 7220 1 . LEU 137 137 7220 1 . MET 138 138 7220 1 . LYS 139 139 7220 1 . VAL 140 140 7220 1 . GLY 141 141 7220 1 . GLN 142 142 7220 1 . ASP 143 143 7220 1 . ALA 144 144 7220 1 . SER 145 145 7220 1 . SER 146 146 7220 1 . ALA 147 147 7220 1 . GLY 148 148 7220 1 . SER 149 149 7220 1 . THR 150 150 7220 1 . ARG 151 151 7220 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 7220 _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 $ephrinB2_ectodomain . 9606 . no . Human . . Eukaryota Metazoa Homo Sapiens . . . . . . . . . . . . . . . . . . . . . 7220 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 7220 _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 $ephrinB2_ectodomain . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7220 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7220 _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 'ephrinB2 ectodomain' '[U-13C; U-15N]' . . 1 $ephrinB2_ectodomain . . 0.5 . . mM . . . . 7220 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 7220 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 7220 _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 6.8 0.1 pH 7220 1 temperature 293 0.1 K 7220 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7220 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7220 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7220 1 2 HSQC-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7220 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7220 1 4 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7220 1 5 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7220 1 6 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7220 1 7 (H)CC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7220 1 8 H(CCO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7220 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7220 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HSQC-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HSQC-TOCSY _NMR_spec_expt.Entry_ID 7220 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HSQC-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7220 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 7220 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7220 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 7220 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_(H)CC(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (H)CC(CO)NH _NMR_spec_expt.Entry_ID 7220 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name (H)CC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_H(CCO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode H(CCO)NH _NMR_spec_expt.Entry_ID 7220 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 7220 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7220 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7220 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7220 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 7220 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7220 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 1 1 SER H H 1 8.503 0.05 . 1 . . . . 1 SER HN . 7220 1 2 . 1 1 1 1 SER HA H 1 4.450 0.05 . 1 . . . . 1 SER HA . 7220 1 3 . 1 1 1 1 SER HB2 H 1 3.870 0.05 . 2 . . . . 1 SER HB2 . 7220 1 4 . 1 1 1 1 SER C C 13 171.570 0.1 . 1 . . . . 1 SER C . 7220 1 5 . 1 1 1 1 SER CA C 13 59.110 0.1 . 1 . . . . 1 SER CA . 7220 1 6 . 1 1 1 1 SER CB C 13 64.200 0.1 . 1 . . . . 1 SER CB . 7220 1 7 . 1 1 1 1 SER N N 15 118.380 0.1 . 1 . . . . 1 SER N . 7220 1 8 . 1 1 2 2 LYS H H 1 8.340 0.05 . 1 . . . . 2 LYS HN . 7220 1 9 . 1 1 2 2 LYS HA H 1 4.390 0.05 . 1 . . . . 2 LYS HA . 7220 1 10 . 1 1 2 2 LYS HB2 H 1 1.723 0.05 . 2 . . . . 2 LYS HB1 . 7220 1 11 . 1 1 2 2 LYS HB3 H 1 1.858 0.05 . 2 . . . . 2 LYS HB2 . 7220 1 12 . 1 1 2 2 LYS HG2 H 1 1.430 0.05 . 2 . . . . 2 LYS HG2 . 7220 1 13 . 1 1 2 2 LYS HD2 H 1 1.650 0.05 . 2 . . . . 2 LYS HD2 . 7220 1 14 . 1 1 2 2 LYS HE2 H 1 2.970 0.05 . 2 . . . . 2 LYS HE2 . 7220 1 15 . 1 1 2 2 LYS C C 13 173.550 0.1 . 1 . . . . 2 LYS C . 7220 1 16 . 1 1 2 2 LYS CA C 13 56.380 0.1 . 1 . . . . 2 LYS CA . 7220 1 17 . 1 1 2 2 LYS CB C 13 33.580 0.1 . 1 . . . . 2 LYS CB . 7220 1 18 . 1 1 2 2 LYS CG C 13 24.900 0.1 . 1 . . . . 2 LYS CG . 7220 1 19 . 1 1 2 2 LYS CD C 13 29.600 0.1 . 1 . . . . 2 LYS CD . 7220 1 20 . 1 1 2 2 LYS CE C 13 42.890 0.1 . 1 . . . . 2 LYS CE . 7220 1 21 . 1 1 2 2 LYS N N 15 123.460 0.1 . 1 . . . . 2 LYS N . 7220 1 22 . 1 1 3 3 SER H H 1 8.310 0.05 . 1 . . . . 3 SER HN . 7220 1 23 . 1 1 3 3 SER HA H 1 4.460 0.05 . 1 . . . . 3 SER HA . 7220 1 24 . 1 1 3 3 SER HB2 H 1 3.730 0.05 . 2 . . . . 3 SER HB2 . 7220 1 25 . 1 1 3 3 SER C C 13 171.320 0.1 . 1 . . . . 3 SER C . 7220 1 26 . 1 1 3 3 SER CA C 13 58.940 0.1 . 1 . . . . 3 SER CA . 7220 1 27 . 1 1 3 3 SER CB C 13 64.300 0.1 . 1 . . . . 3 SER CB . 7220 1 28 . 1 1 3 3 SER N N 15 118.180 0.1 . 1 . . . . 3 SER N . 7220 1 29 . 1 1 4 4 ILE H H 1 8.424 0.05 . 1 . . . . 4 ILE HN . 7220 1 30 . 1 1 4 4 ILE HA H 1 4.320 0.05 . 1 . . . . 4 ILE HA . 7220 1 31 . 1 1 4 4 ILE HB H 1 2.010 0.05 . 1 . . . . 4 ILE HB . 7220 1 32 . 1 1 4 4 ILE HG12 H 1 1.160 0.05 . 1 . . . . 4 ILE HG11 . 7220 1 33 . 1 1 4 4 ILE HG13 H 1 1.360 0.05 . 1 . . . . 4 ILE HG12 . 7220 1 34 . 1 1 4 4 ILE HG21 H 1 0.830 0.05 . 1 . . . . 4 ILE HG2 . 7220 1 35 . 1 1 4 4 ILE HG22 H 1 0.830 0.05 . 1 . . . . 4 ILE HG2 . 7220 1 36 . 1 1 4 4 ILE HG23 H 1 0.830 0.05 . 1 . . . . 4 ILE HG2 . 7220 1 37 . 1 1 4 4 ILE HD11 H 1 0.830 0.05 . 1 . . . . 4 ILE HD1 . 7220 1 38 . 1 1 4 4 ILE HD12 H 1 0.830 0.05 . 1 . . . . 4 ILE HD1 . 7220 1 39 . 1 1 4 4 ILE HD13 H 1 0.830 0.05 . 1 . . . . 4 ILE HD1 . 7220 1 40 . 1 1 4 4 ILE C C 13 172.470 0.1 . 1 . . . . 4 ILE C . 7220 1 41 . 1 1 4 4 ILE CA C 13 60.800 0.1 . 1 . . . . 4 ILE CA . 7220 1 42 . 1 1 4 4 ILE CB C 13 39.800 0.1 . 1 . . . . 4 ILE CB . 7220 1 43 . 1 1 4 4 ILE CG1 C 13 27.240 0.1 . 2 . . . . 4 ILE CG1 . 7220 1 44 . 1 1 4 4 ILE CG2 C 13 18.060 0.1 . 1 . . . . 4 ILE CG2 . 7220 1 45 . 1 1 4 4 ILE CD1 C 13 13.200 0.1 . 1 . . . . 4 ILE CD1 . 7220 1 46 . 1 1 4 4 ILE N N 15 123.050 0.1 . 1 . . . . 4 ILE N . 7220 1 47 . 1 1 5 5 VAL H H 1 8.140 0.05 . 1 . . . . 5 VAL HN . 7220 1 48 . 1 1 5 5 VAL HA H 1 4.230 0.05 . 1 . . . . 5 VAL HA . 7220 1 49 . 1 1 5 5 VAL HB H 1 1.980 0.05 . 1 . . . . 5 VAL HB . 7220 1 50 . 1 1 5 5 VAL HG11 H 1 0.902 0.05 . 2 . . . . 5 VAL HG1 . 7220 1 51 . 1 1 5 5 VAL HG12 H 1 0.902 0.05 . 2 . . . . 5 VAL HG1 . 7220 1 52 . 1 1 5 5 VAL HG13 H 1 0.902 0.05 . 2 . . . . 5 VAL HG1 . 7220 1 53 . 1 1 5 5 VAL CA C 13 62.230 0.1 . 1 . . . . 5 VAL CA . 7220 1 54 . 1 1 5 5 VAL CB C 13 32.230 0.1 . 1 . . . . 5 VAL CB . 7220 1 55 . 1 1 5 5 VAL CG1 C 13 22.070 0.1 . 1 . . . . 5 VAL CG1 . 7220 1 56 . 1 1 5 5 VAL N N 15 124.860 0.1 . 1 . . . . 5 VAL N . 7220 1 57 . 1 1 6 6 LEU H H 1 8.757 0.05 . 1 . . . . 6 LEU HN . 7220 1 58 . 1 1 6 6 LEU HA H 1 4.290 0.05 . 1 . . . . 6 LEU HA . 7220 1 59 . 1 1 6 6 LEU HB2 H 1 1.860 0.05 . 2 . . . . 6 LEU HB2 . 7220 1 60 . 1 1 6 6 LEU HG H 1 1.580 0.05 . 1 . . . . 6 LEU HG . 7220 1 61 . 1 1 6 6 LEU HD21 H 1 0.850 0.05 . 2 . . . . 6 LEU HD2 . 7220 1 62 . 1 1 6 6 LEU HD22 H 1 0.850 0.05 . 2 . . . . 6 LEU HD2 . 7220 1 63 . 1 1 6 6 LEU HD23 H 1 0.850 0.05 . 2 . . . . 6 LEU HD2 . 7220 1 64 . 1 1 6 6 LEU C C 13 173.460 0.1 . 1 . . . . 6 LEU C . 7220 1 65 . 1 1 6 6 LEU CA C 13 55.450 0.1 . 1 . . . . 6 LEU CA . 7220 1 66 . 1 1 6 6 LEU CB C 13 42.680 0.1 . 1 . . . . 6 LEU CB . 7220 1 67 . 1 1 6 6 LEU CG C 13 29.050 0.1 . 1 . . . . 6 LEU CG . 7220 1 68 . 1 1 6 6 LEU CD1 C 13 26.260 0.1 . 1 . . . . 6 LEU CD1 . 7220 1 69 . 1 1 6 6 LEU CD2 C 13 23.840 0.1 . 1 . . . . 6 LEU CD2 . 7220 1 70 . 1 1 6 6 LEU N N 15 129.090 0.1 . 1 . . . . 6 LEU N . 7220 1 71 . 1 1 7 7 GLU H H 1 8.250 0.05 . 1 . . . . 7 GLU HN . 7220 1 72 . 1 1 7 7 GLU HA H 1 4.360 0.05 . 1 . . . . 7 GLU HA . 7220 1 73 . 1 1 7 7 GLU HB2 H 1 1.928 0.05 . 2 . . . . 7 GLU HB1 . 7220 1 74 . 1 1 7 7 GLU HB3 H 1 2.000 0.05 . 2 . . . . 7 GLU HB2 . 7220 1 75 . 1 1 7 7 GLU HG2 H 1 2.390 0.05 . 2 . . . . 7 GLU HG2 . 7220 1 76 . 1 1 7 7 GLU C C 13 170.780 0.1 . 1 . . . . 7 GLU C . 7220 1 77 . 1 1 7 7 GLU CA C 13 55.140 0.1 . 1 . . . . 7 GLU CA . 7220 1 78 . 1 1 7 7 GLU CB C 13 29.400 0.1 . 1 . . . . 7 GLU CB . 7220 1 79 . 1 1 7 7 GLU CG C 13 36.500 0.1 . 1 . . . . 7 GLU CG . 7220 1 80 . 1 1 7 7 GLU N N 15 123.080 0.1 . 1 . . . . 7 GLU N . 7220 1 81 . 1 1 9 9 ILE H H 1 8.580 0.05 . 1 . . . . 9 ILE HN . 7220 1 82 . 1 1 9 9 ILE HA H 1 4.085 0.05 . 1 . . . . 9 ILE HA . 7220 1 83 . 1 1 9 9 ILE HB H 1 2.020 0.05 . 1 . . . . 9 ILE HB . 7220 1 84 . 1 1 9 9 ILE HG12 H 1 1.500 0.05 . 1 . . . . 9 ILE HG11 . 7220 1 85 . 1 1 9 9 ILE HG13 H 1 1.310 0.05 . 1 . . . . 9 ILE HG12 . 7220 1 86 . 1 1 9 9 ILE HG21 H 1 0.710 0.05 . 1 . . . . 9 ILE HG2 . 7220 1 87 . 1 1 9 9 ILE HG22 H 1 0.710 0.05 . 1 . . . . 9 ILE HG2 . 7220 1 88 . 1 1 9 9 ILE HG23 H 1 0.710 0.05 . 1 . . . . 9 ILE HG2 . 7220 1 89 . 1 1 9 9 ILE HD11 H 1 0.780 0.05 . 1 . . . . 9 ILE HD1 . 7220 1 90 . 1 1 9 9 ILE HD12 H 1 0.780 0.05 . 1 . . . . 9 ILE HD1 . 7220 1 91 . 1 1 9 9 ILE HD13 H 1 0.780 0.05 . 1 . . . . 9 ILE HD1 . 7220 1 92 . 1 1 9 9 ILE C C 13 172.100 0.1 . 1 . . . . 9 ILE C . 7220 1 93 . 1 1 9 9 ILE CA C 13 58.900 0.1 . 1 . . . . 9 ILE CA . 7220 1 94 . 1 1 9 9 ILE CB C 13 39.200 0.1 . 1 . . . . 9 ILE CB . 7220 1 95 . 1 1 9 9 ILE CG1 C 13 27.200 0.1 . 2 . . . . 9 ILE CG1 . 7220 1 96 . 1 1 9 9 ILE CG2 C 13 17.560 0.1 . 1 . . . . 9 ILE CG2 . 7220 1 97 . 1 1 9 9 ILE CD1 C 13 13.400 0.1 . 1 . . . . 9 ILE CD1 . 7220 1 98 . 1 1 9 9 ILE N N 15 120.880 0.1 . 1 . . . . 9 ILE N . 7220 1 99 . 1 1 10 10 TYR H H 1 8.020 0.05 . 1 . . . . 10 TYR HN . 7220 1 100 . 1 1 10 10 TYR HA H 1 5.050 0.05 . 1 . . . . 10 TYR HA . 7220 1 101 . 1 1 10 10 TYR HB2 H 1 2.690 0.05 . 2 . . . . 10 TYR HB1 . 7220 1 102 . 1 1 10 10 TYR HB3 H 1 2.920 0.05 . 2 . . . . 10 TYR HB2 . 7220 1 103 . 1 1 10 10 TYR CA C 13 57.800 0.1 . 1 . . . . 10 TYR CA . 7220 1 104 . 1 1 10 10 TYR CB C 13 38.300 0.1 . 1 . . . . 10 TYR CB . 7220 1 105 . 1 1 10 10 TYR N N 15 126.490 0.1 . 1 . . . . 10 TYR N . 7220 1 106 . 1 1 11 11 TRP H H 1 9.540 0.05 . 1 . . . . 11 TRP HN . 7220 1 107 . 1 1 11 11 TRP HA H 1 4.040 0.05 . 1 . . . . 11 TRP HA . 7220 1 108 . 1 1 11 11 TRP HB2 H 1 3.590 0.05 . 2 . . . . 11 TRP HB1 . 7220 1 109 . 1 1 11 11 TRP HB3 H 1 2.440 0.05 . 2 . . . . 11 TRP HB2 . 7220 1 110 . 1 1 11 11 TRP CA C 13 57.300 0.1 . 1 . . . . 11 TRP CA . 7220 1 111 . 1 1 11 11 TRP CB C 13 26.020 0.1 . 1 . . . . 11 TRP CB . 7220 1 112 . 1 1 11 11 TRP N N 15 131.280 0.1 . 1 . . . . 11 TRP N . 7220 1 113 . 1 1 12 12 ASN H H 1 7.260 0.05 . 1 . . . . 12 ASN HN . 7220 1 114 . 1 1 12 12 ASN HA H 1 4.600 0.05 . 1 . . . . 12 ASN HA . 7220 1 115 . 1 1 12 12 ASN HB2 H 1 2.580 0.05 . 2 . . . . 12 ASN HB1 . 7220 1 116 . 1 1 12 12 ASN HB3 H 1 2.860 0.05 . 2 . . . . 12 ASN HB2 . 7220 1 117 . 1 1 12 12 ASN HD21 H 1 8.394 0.05 . 2 . . . . 12 ASN HD21 . 7220 1 118 . 1 1 12 12 ASN HD22 H 1 6.950 0.05 . 2 . . . . 12 ASN HD22 . 7220 1 119 . 1 1 12 12 ASN CA C 13 53.400 0.1 . 1 . . . . 12 ASN CA . 7220 1 120 . 1 1 12 12 ASN CB C 13 42.200 0.1 . 1 . . . . 12 ASN CB . 7220 1 121 . 1 1 12 12 ASN N N 15 119.960 0.1 . 1 . . . . 12 ASN N . 7220 1 122 . 1 1 12 12 ASN ND2 N 15 114.710 0.1 . 1 . . . . 12 ASN ND2 . 7220 1 123 . 1 1 13 13 SER H H 1 10.360 0.05 . 1 . . . . 13 SER HN . 7220 1 124 . 1 1 13 13 SER C C 13 172.510 0.1 . 1 . . . . 13 SER C . 7220 1 125 . 1 1 13 13 SER N N 15 121.700 0.1 . 1 . . . . 13 SER N . 7220 1 126 . 1 1 14 14 SER H H 1 8.340 0.05 . 1 . . . . 14 SER HN . 7220 1 127 . 1 1 14 14 SER C C 13 171.570 0.1 . 1 . . . . 14 SER C . 7220 1 128 . 1 1 14 14 SER CA C 13 59.650 0.1 . 1 . . . . 14 SER CA . 7220 1 129 . 1 1 14 14 SER CB C 13 64.030 0.1 . 1 . . . . 14 SER CB . 7220 1 130 . 1 1 14 14 SER N N 15 117.670 0.1 . 1 . . . . 14 SER N . 7220 1 131 . 1 1 15 15 ASN H H 1 7.710 0.05 . 1 . . . . 15 ASN HN . 7220 1 132 . 1 1 15 15 ASN HA H 1 4.660 0.05 . 1 . . . . 15 ASN HA . 7220 1 133 . 1 1 15 15 ASN HB2 H 1 3.050 0.05 . 2 . . . . 15 ASN HB1 . 7220 1 134 . 1 1 15 15 ASN HB3 H 1 3.560 0.05 . 2 . . . . 15 ASN HB2 . 7220 1 135 . 1 1 15 15 ASN C C 13 173.840 0.1 . 1 . . . . 15 ASN C . 7220 1 136 . 1 1 15 15 ASN CA C 13 53.840 0.1 . 1 . . . . 15 ASN CA . 7220 1 137 . 1 1 15 15 ASN CB C 13 38.280 0.1 . 1 . . . . 15 ASN CB . 7220 1 138 . 1 1 15 15 ASN N N 15 120.590 0.1 . 1 . . . . 15 ASN N . 7220 1 139 . 1 1 16 16 SER H H 1 8.720 0.05 . 1 . . . . 16 SER HN . 7220 1 140 . 1 1 16 16 SER HA H 1 4.370 0.05 . 1 . . . . 16 SER HA . 7220 1 141 . 1 1 16 16 SER HB2 H 1 4.070 0.05 . 2 . . . . 16 SER HB1 . 7220 1 142 . 1 1 16 16 SER HB3 H 1 3.830 0.05 . 2 . . . . 16 SER HB2 . 7220 1 143 . 1 1 16 16 SER C C 13 172.680 0.1 . 1 . . . . 16 SER C . 7220 1 144 . 1 1 16 16 SER CA C 13 60.100 0.1 . 1 . . . . 16 SER CA . 7220 1 145 . 1 1 16 16 SER CB C 13 63.670 0.1 . 1 . . . . 16 SER CB . 7220 1 146 . 1 1 16 16 SER N N 15 124.240 0.1 . 1 . . . . 16 SER N . 7220 1 147 . 1 1 17 17 LYS H H 1 8.380 0.05 . 1 . . . . 17 LYS HN . 7220 1 148 . 1 1 17 17 LYS HA H 1 4.010 0.05 . 1 . . . . 17 LYS HA . 7220 1 149 . 1 1 17 17 LYS HB2 H 1 1.768 0.05 . 2 . . . . 17 LYS HB1 . 7220 1 150 . 1 1 17 17 LYS HB3 H 1 1.835 0.05 . 2 . . . . 17 LYS HB2 . 7220 1 151 . 1 1 17 17 LYS HG2 H 1 1.667 0.05 . 2 . . . . 17 LYS HG2 . 7220 1 152 . 1 1 17 17 LYS HE2 H 1 2.980 0.05 . 2 . . . . 17 LYS HE2 . 7220 1 153 . 1 1 17 17 LYS C C 13 174.410 0.1 . 1 . . . . 17 LYS C . 7220 1 154 . 1 1 17 17 LYS CA C 13 58.620 0.1 . 1 . . . . 17 LYS CA . 7220 1 155 . 1 1 17 17 LYS CB C 13 32.560 0.1 . 1 . . . . 17 LYS CB . 7220 1 156 . 1 1 17 17 LYS CG C 13 29.400 0.1 . 1 . . . . 17 LYS CG . 7220 1 157 . 1 1 17 17 LYS CD C 13 29.800 0.1 . 1 . . . . 17 LYS CD . 7220 1 158 . 1 1 17 17 LYS CE C 13 42.700 0.1 . 1 . . . . 17 LYS CE . 7220 1 159 . 1 1 17 17 LYS N N 15 119.960 0.1 . 1 . . . . 17 LYS N . 7220 1 160 . 1 1 18 18 PHE H H 1 6.726 0.05 . 1 . . . . 18 PHE HN . 7220 1 161 . 1 1 18 18 PHE HA H 1 4.130 0.05 . 1 . . . . 18 PHE HA . 7220 1 162 . 1 1 18 18 PHE HB2 H 1 2.820 0.05 . 2 . . . . 18 PHE HB1 . 7220 1 163 . 1 1 18 18 PHE HB3 H 1 3.030 0.05 . 2 . . . . 18 PHE HB2 . 7220 1 164 . 1 1 18 18 PHE C C 13 174.120 0.1 . 1 . . . . 18 PHE C . 7220 1 165 . 1 1 18 18 PHE CA C 13 57.600 0.1 . 1 . . . . 18 PHE CA . 7220 1 166 . 1 1 18 18 PHE CB C 13 37.380 0.1 . 1 . . . . 18 PHE CB . 7220 1 167 . 1 1 18 18 PHE N N 15 115.100 0.1 . 1 . . . . 18 PHE N . 7220 1 168 . 1 1 19 19 LEU H H 1 7.620 0.05 . 1 . . . . 19 LEU HN . 7220 1 169 . 1 1 19 19 LEU HA H 1 4.560 0.05 . 1 . . . . 19 LEU HA . 7220 1 170 . 1 1 19 19 LEU HB2 H 1 1.850 0.05 . 2 . . . . 19 LEU HB2 . 7220 1 171 . 1 1 19 19 LEU C C 13 171.900 0.1 . 1 . . . . 19 LEU C . 7220 1 172 . 1 1 19 19 LEU CA C 13 58.960 0.1 . 1 . . . . 19 LEU CA . 7220 1 173 . 1 1 19 19 LEU CB C 13 45.690 0.1 . 1 . . . . 19 LEU CB . 7220 1 174 . 1 1 19 19 LEU N N 15 127.790 0.1 . 1 . . . . 19 LEU N . 7220 1 175 . 1 1 21 21 GLY H H 1 8.680 0.05 . 1 . . . . 21 GLY HN . 7220 1 176 . 1 1 21 21 GLY HA2 H 1 4.120 0.05 . 2 . . . . 21 GLY HA1 . 7220 1 177 . 1 1 21 21 GLY HA3 H 1 3.850 0.05 . 2 . . . . 21 GLY HA2 . 7220 1 178 . 1 1 21 21 GLY C C 13 171.280 0.1 . 1 . . . . 21 GLY C . 7220 1 179 . 1 1 21 21 GLY CA C 13 46.490 0.1 . 1 . . . . 21 GLY CA . 7220 1 180 . 1 1 21 21 GLY N N 15 112.850 0.1 . 1 . . . . 21 GLY N . 7220 1 181 . 1 1 22 22 GLN H H 1 7.990 0.05 . 1 . . . . 22 GLN HN . 7220 1 182 . 1 1 22 22 GLN HA H 1 4.550 0.05 . 1 . . . . 22 GLN HA . 7220 1 183 . 1 1 22 22 GLN HB2 H 1 1.930 0.05 . 2 . . . . 22 GLN HB1 . 7220 1 184 . 1 1 22 22 GLN HB3 H 1 2.050 0.05 . 2 . . . . 22 GLN HB2 . 7220 1 185 . 1 1 22 22 GLN HG2 H 1 2.230 0.05 . 2 . . . . 22 GLN HG1 . 7220 1 186 . 1 1 22 22 GLN HG3 H 1 2.340 0.05 . 2 . . . . 22 GLN HG2 . 7220 1 187 . 1 1 22 22 GLN HE21 H 1 6.930 0.05 . 2 . . . . 22 GLN HE21 . 7220 1 188 . 1 1 22 22 GLN HE22 H 1 7.590 0.05 . 2 . . . . 22 GLN HE22 . 7220 1 189 . 1 1 22 22 GLN C C 13 173.050 0.1 . 1 . . . . 22 GLN C . 7220 1 190 . 1 1 22 22 GLN CA C 13 56.980 0.1 . 1 . . . . 22 GLN CA . 7220 1 191 . 1 1 22 22 GLN CB C 13 33.760 0.1 . 1 . . . . 22 GLN CB . 7220 1 192 . 1 1 22 22 GLN CG C 13 34.630 0.1 . 1 . . . . 22 GLN CG . 7220 1 193 . 1 1 22 22 GLN N N 15 118.660 0.1 . 1 . . . . 22 GLN N . 7220 1 194 . 1 1 22 22 GLN NE2 N 15 112.590 0.1 . 1 . . . . 22 GLN NE2 . 7220 1 195 . 1 1 23 23 GLY H H 1 9.440 0.05 . 1 . . . . 23 GLY HN . 7220 1 196 . 1 1 23 23 GLY HA2 H 1 4.630 0.05 . 2 . . . . 23 GLY HA1 . 7220 1 197 . 1 1 23 23 GLY HA3 H 1 4.560 0.05 . 2 . . . . 23 GLY HA2 . 7220 1 198 . 1 1 23 23 GLY C C 13 170.590 0.1 . 1 . . . . 23 GLY C . 7220 1 199 . 1 1 23 23 GLY CA C 13 46.200 0.1 . 1 . . . . 23 GLY CA . 7220 1 200 . 1 1 23 23 GLY N N 15 110.590 0.1 . 1 . . . . 23 GLY N . 7220 1 201 . 1 1 24 24 LEU H H 1 9.020 0.05 . 1 . . . . 24 LEU HN . 7220 1 202 . 1 1 24 24 LEU HA H 1 4.795 0.05 . 1 . . . . 24 LEU HA . 7220 1 203 . 1 1 24 24 LEU HB2 H 1 0.950 0.05 . 2 . . . . 24 LEU HB1 . 7220 1 204 . 1 1 24 24 LEU HB3 H 1 1.690 0.05 . 2 . . . . 24 LEU HB2 . 7220 1 205 . 1 1 24 24 LEU HG H 1 1.300 0.05 . 1 . . . . 24 LEU HG . 7220 1 206 . 1 1 24 24 LEU HD11 H 1 0.534 0.05 . 2 . . . . 24 LEU HD1 . 7220 1 207 . 1 1 24 24 LEU HD12 H 1 0.534 0.05 . 2 . . . . 24 LEU HD1 . 7220 1 208 . 1 1 24 24 LEU HD13 H 1 0.534 0.05 . 2 . . . . 24 LEU HD1 . 7220 1 209 . 1 1 24 24 LEU HD21 H 1 0.510 0.05 . 2 . . . . 24 LEU HD2 . 7220 1 210 . 1 1 24 24 LEU HD22 H 1 0.510 0.05 . 2 . . . . 24 LEU HD2 . 7220 1 211 . 1 1 24 24 LEU HD23 H 1 0.510 0.05 . 2 . . . . 24 LEU HD2 . 7220 1 212 . 1 1 24 24 LEU C C 13 171.890 0.1 . 1 . . . . 24 LEU C . 7220 1 213 . 1 1 24 24 LEU CA C 13 54.820 0.1 . 1 . . . . 24 LEU CA . 7220 1 214 . 1 1 24 24 LEU CB C 13 45.790 0.1 . 1 . . . . 24 LEU CB . 7220 1 215 . 1 1 24 24 LEU CG C 13 28.170 0.1 . 1 . . . . 24 LEU CG . 7220 1 216 . 1 1 24 24 LEU CD1 C 13 26.360 0.1 . 1 . . . . 24 LEU CD1 . 7220 1 217 . 1 1 24 24 LEU CD2 C 13 25.500 0.1 . 1 . . . . 24 LEU CD2 . 7220 1 218 . 1 1 24 24 LEU N N 15 128.250 0.1 . 1 . . . . 24 LEU N . 7220 1 219 . 1 1 25 25 VAL H H 1 8.426 0.05 . 1 . . . . 25 VAL HN . 7220 1 220 . 1 1 25 25 VAL HA H 1 4.930 0.05 . 1 . . . . 25 VAL HA . 7220 1 221 . 1 1 25 25 VAL HB H 1 1.950 0.05 . 1 . . . . 25 VAL HB . 7220 1 222 . 1 1 25 25 VAL HG11 H 1 0.930 0.05 . 2 . . . . 25 VAL HG1 . 7220 1 223 . 1 1 25 25 VAL HG12 H 1 0.930 0.05 . 2 . . . . 25 VAL HG1 . 7220 1 224 . 1 1 25 25 VAL HG13 H 1 0.930 0.05 . 2 . . . . 25 VAL HG1 . 7220 1 225 . 1 1 25 25 VAL HG21 H 1 0.660 0.05 . 2 . . . . 25 VAL HG2 . 7220 1 226 . 1 1 25 25 VAL HG22 H 1 0.660 0.05 . 2 . . . . 25 VAL HG2 . 7220 1 227 . 1 1 25 25 VAL HG23 H 1 0.660 0.05 . 2 . . . . 25 VAL HG2 . 7220 1 228 . 1 1 25 25 VAL C C 13 171.850 0.1 . 1 . . . . 25 VAL C . 7220 1 229 . 1 1 25 25 VAL CA C 13 61.880 0.1 . 1 . . . . 25 VAL CA . 7220 1 230 . 1 1 25 25 VAL CB C 13 33.270 0.1 . 1 . . . . 25 VAL CB . 7220 1 231 . 1 1 25 25 VAL CG1 C 13 20.980 0.1 . 1 . . . . 25 VAL CG1 . 7220 1 232 . 1 1 25 25 VAL CG2 C 13 18.790 0.1 . 1 . . . . 25 VAL CG2 . 7220 1 233 . 1 1 25 25 VAL N N 15 127.700 0.1 . 1 . . . . 25 VAL N . 7220 1 234 . 1 1 26 26 LEU H H 1 8.910 0.05 . 1 . . . . 26 LEU HN . 7220 1 235 . 1 1 26 26 LEU HA H 1 4.690 0.05 . 1 . . . . 26 LEU HA . 7220 1 236 . 1 1 26 26 LEU HB2 H 1 1.296 0.05 . 2 . . . . 26 LEU HB2 . 7220 1 237 . 1 1 26 26 LEU HG H 1 1.360 0.05 . 1 . . . . 26 LEU HG . 7220 1 238 . 1 1 26 26 LEU HD11 H 1 0.880 0.05 . 2 . . . . 26 LEU HD1 . 7220 1 239 . 1 1 26 26 LEU HD12 H 1 0.880 0.05 . 2 . . . . 26 LEU HD1 . 7220 1 240 . 1 1 26 26 LEU HD13 H 1 0.880 0.05 . 2 . . . . 26 LEU HD1 . 7220 1 241 . 1 1 26 26 LEU HD21 H 1 0.780 0.05 . 2 . . . . 26 LEU HD2 . 7220 1 242 . 1 1 26 26 LEU HD22 H 1 0.780 0.05 . 2 . . . . 26 LEU HD2 . 7220 1 243 . 1 1 26 26 LEU HD23 H 1 0.780 0.05 . 2 . . . . 26 LEU HD2 . 7220 1 244 . 1 1 26 26 LEU C C 13 171.730 0.1 . 1 . . . . 26 LEU C . 7220 1 245 . 1 1 26 26 LEU CA C 13 53.300 0.1 . 1 . . . . 26 LEU CA . 7220 1 246 . 1 1 26 26 LEU CB C 13 48.300 0.1 . 1 . . . . 26 LEU CB . 7220 1 247 . 1 1 26 26 LEU CG C 13 27.320 0.1 . 1 . . . . 26 LEU CG . 7220 1 248 . 1 1 26 26 LEU CD1 C 13 24.220 0.1 . 1 . . . . 26 LEU CD1 . 7220 1 249 . 1 1 26 26 LEU CD2 C 13 27.320 0.1 . 1 . . . . 26 LEU CD2 . 7220 1 250 . 1 1 26 26 LEU N N 15 126.480 0.1 . 1 . . . . 26 LEU N . 7220 1 251 . 1 1 27 27 TYR H H 1 8.806 0.05 . 1 . . . . 27 TYR HN . 7220 1 252 . 1 1 27 27 TYR HA H 1 4.790 0.05 . 1 . . . . 27 TYR HA . 7220 1 253 . 1 1 27 27 TYR HB2 H 1 3.070 0.05 . 2 . . . . 27 TYR HB1 . 7220 1 254 . 1 1 27 27 TYR HB3 H 1 2.690 0.05 . 2 . . . . 27 TYR HB2 . 7220 1 255 . 1 1 27 27 TYR C C 13 171.040 0.1 . 1 . . . . 27 TYR C . 7220 1 256 . 1 1 27 27 TYR CA C 13 55.450 0.1 . 1 . . . . 27 TYR CA . 7220 1 257 . 1 1 27 27 TYR CB C 13 38.200 0.1 . 1 . . . . 27 TYR CB . 7220 1 258 . 1 1 27 27 TYR N N 15 120.080 0.1 . 1 . . . . 27 TYR N . 7220 1 259 . 1 1 28 28 PRO HA H 1 4.230 0.05 . 1 . . . . 28 PRO HA . 7220 1 260 . 1 1 28 28 PRO C C 13 172.060 0.1 . 1 . . . . 28 PRO C . 7220 1 261 . 1 1 28 28 PRO CA C 13 62.330 0.1 . 1 . . . . 28 PRO CA . 7220 1 262 . 1 1 28 28 PRO CB C 13 31.130 0.1 . 1 . . . . 28 PRO CB . 7220 1 263 . 1 1 28 28 PRO CG C 13 28.940 0.1 . 1 . . . . 28 PRO CG . 7220 1 264 . 1 1 29 29 GLN H H 1 9.260 0.05 . 1 . . . . 29 GLN HN . 7220 1 265 . 1 1 29 29 GLN HA H 1 4.200 0.05 . 1 . . . . 29 GLN HA . 7220 1 266 . 1 1 29 29 GLN HB2 H 1 1.860 0.05 . 2 . . . . 29 GLN HB1 . 7220 1 267 . 1 1 29 29 GLN HB3 H 1 2.160 0.05 . 2 . . . . 29 GLN HB2 . 7220 1 268 . 1 1 29 29 GLN HG2 H 1 2.435 0.05 . 2 . . . . 29 GLN HG2 . 7220 1 269 . 1 1 29 29 GLN HE21 H 1 7.242 0.05 . 2 . . . . 29 GLN HE21 . 7220 1 270 . 1 1 29 29 GLN HE22 H 1 6.965 0.05 . 2 . . . . 29 GLN HE22 . 7220 1 271 . 1 1 29 29 GLN C C 13 173.090 0.1 . 1 . . . . 29 GLN C . 7220 1 272 . 1 1 29 29 GLN CA C 13 52.680 0.1 . 1 . . . . 29 GLN CA . 7220 1 273 . 1 1 29 29 GLN CB C 13 29.800 0.1 . 1 . . . . 29 GLN CB . 7220 1 274 . 1 1 29 29 GLN CG C 13 34.600 0.1 . 1 . . . . 29 GLN CG . 7220 1 275 . 1 1 29 29 GLN N N 15 121.030 0.1 . 1 . . . . 29 GLN N . 7220 1 276 . 1 1 29 29 GLN NE2 N 15 115.885 0.1 . 1 . . . . 29 GLN NE2 . 7220 1 277 . 1 1 30 30 ILE H H 1 8.540 0.05 . 1 . . . . 30 ILE HN . 7220 1 278 . 1 1 30 30 ILE HA H 1 3.940 0.05 . 1 . . . . 30 ILE HA . 7220 1 279 . 1 1 30 30 ILE HB H 1 2.020 0.05 . 1 . . . . 30 ILE HB . 7220 1 280 . 1 1 30 30 ILE HG21 H 1 1.050 0.05 . 1 . . . . 30 ILE HG2 . 7220 1 281 . 1 1 30 30 ILE HG22 H 1 1.050 0.05 . 1 . . . . 30 ILE HG2 . 7220 1 282 . 1 1 30 30 ILE HG23 H 1 1.050 0.05 . 1 . . . . 30 ILE HG2 . 7220 1 283 . 1 1 30 30 ILE HD11 H 1 0.450 0.05 . 1 . . . . 30 ILE HD1 . 7220 1 284 . 1 1 30 30 ILE HD12 H 1 0.450 0.05 . 1 . . . . 30 ILE HD1 . 7220 1 285 . 1 1 30 30 ILE HD13 H 1 0.450 0.05 . 1 . . . . 30 ILE HD1 . 7220 1 286 . 1 1 30 30 ILE C C 13 175.650 0.1 . 1 . . . . 30 ILE C . 7220 1 287 . 1 1 30 30 ILE CA C 13 60.630 0.1 . 1 . . . . 30 ILE CA . 7220 1 288 . 1 1 30 30 ILE CB C 13 34.480 0.1 . 1 . . . . 30 ILE CB . 7220 1 289 . 1 1 30 30 ILE CG2 C 13 17.750 0.1 . 1 . . . . 30 ILE CG2 . 7220 1 290 . 1 1 30 30 ILE CD1 C 13 8.760 0.1 . 1 . . . . 30 ILE CD1 . 7220 1 291 . 1 1 30 30 ILE N N 15 120.310 0.1 . 1 . . . . 30 ILE N . 7220 1 292 . 1 1 31 31 GLY H H 1 9.280 0.05 . 1 . . . . 31 GLY HN . 7220 1 293 . 1 1 31 31 GLY HA2 H 1 3.620 0.05 . 2 . . . . 31 GLY HA1 . 7220 1 294 . 1 1 31 31 GLY HA3 H 1 4.570 0.05 . 2 . . . . 31 GLY HA2 . 7220 1 295 . 1 1 31 31 GLY C C 13 171.730 0.1 . 1 . . . . 31 GLY C . 7220 1 296 . 1 1 31 31 GLY CA C 13 44.900 0.1 . 1 . . . . 31 GLY CA . 7220 1 297 . 1 1 31 31 GLY N N 15 118.340 0.1 . 1 . . . . 31 GLY N . 7220 1 298 . 1 1 32 32 ASP H H 1 8.230 0.05 . 1 . . . . 32 ASP HN . 7220 1 299 . 1 1 32 32 ASP HA H 1 5.060 0.05 . 1 . . . . 32 ASP HA . 7220 1 300 . 1 1 32 32 ASP HB2 H 1 2.670 0.05 . 2 . . . . 32 ASP HB1 . 7220 1 301 . 1 1 32 32 ASP HB3 H 1 2.920 0.05 . 2 . . . . 32 ASP HB2 . 7220 1 302 . 1 1 32 32 ASP C C 13 172.760 0.1 . 1 . . . . 32 ASP C . 7220 1 303 . 1 1 32 32 ASP CA C 13 55.400 0.1 . 1 . . . . 32 ASP CA . 7220 1 304 . 1 1 32 32 ASP CB C 13 42.380 0.1 . 1 . . . . 32 ASP CB . 7220 1 305 . 1 1 32 32 ASP N N 15 122.460 0.1 . 1 . . . . 32 ASP N . 7220 1 306 . 1 1 33 33 LYS H H 1 8.278 0.05 . 1 . . . . 33 LYS HN . 7220 1 307 . 1 1 33 33 LYS HA H 1 5.440 0.05 . 1 . . . . 33 LYS HA . 7220 1 308 . 1 1 33 33 LYS HB2 H 1 1.568 0.05 . 2 . . . . 33 LYS HB1 . 7220 1 309 . 1 1 33 33 LYS HB3 H 1 1.704 0.05 . 2 . . . . 33 LYS HB2 . 7220 1 310 . 1 1 33 33 LYS HG2 H 1 1.382 0.05 . 2 . . . . 33 LYS HG1 . 7220 1 311 . 1 1 33 33 LYS HG3 H 1 1.319 0.05 . 2 . . . . 33 LYS HG2 . 7220 1 312 . 1 1 33 33 LYS HD2 H 1 1.520 0.05 . 2 . . . . 33 LYS HD1 . 7220 1 313 . 1 1 33 33 LYS HD3 H 1 1.566 0.05 . 2 . . . . 33 LYS HD2 . 7220 1 314 . 1 1 33 33 LYS HE2 H 1 2.840 0.05 . 2 . . . . 33 LYS HE2 . 7220 1 315 . 1 1 33 33 LYS C C 13 171.040 0.1 . 1 . . . . 33 LYS C . 7220 1 316 . 1 1 33 33 LYS CA C 13 55.560 0.1 . 1 . . . . 33 LYS CA . 7220 1 317 . 1 1 33 33 LYS CB C 13 37.070 0.1 . 1 . . . . 33 LYS CB . 7220 1 318 . 1 1 33 33 LYS CG C 13 25.160 0.1 . 1 . . . . 33 LYS CG . 7220 1 319 . 1 1 33 33 LYS CD C 13 30.400 0.1 . 1 . . . . 33 LYS CD . 7220 1 320 . 1 1 33 33 LYS CE C 13 42.050 0.1 . 1 . . . . 33 LYS CE . 7220 1 321 . 1 1 33 33 LYS N N 15 118.400 0.1 . 1 . . . . 33 LYS N . 7220 1 322 . 1 1 34 34 LEU H H 1 8.790 0.05 . 1 . . . . 34 LEU HN . 7220 1 323 . 1 1 34 34 LEU HA H 1 4.670 0.05 . 1 . . . . 34 LEU HA . 7220 1 324 . 1 1 34 34 LEU HB2 H 1 1.770 0.05 . 2 . . . . 34 LEU HB1 . 7220 1 325 . 1 1 34 34 LEU HB3 H 1 1.495 0.05 . 2 . . . . 34 LEU HB2 . 7220 1 326 . 1 1 34 34 LEU HD11 H 1 0.807 0.05 . 2 . . . . 34 LEU HD1 . 7220 1 327 . 1 1 34 34 LEU HD12 H 1 0.807 0.05 . 2 . . . . 34 LEU HD1 . 7220 1 328 . 1 1 34 34 LEU HD13 H 1 0.807 0.05 . 2 . . . . 34 LEU HD1 . 7220 1 329 . 1 1 34 34 LEU HD21 H 1 0.917 0.05 . 2 . . . . 34 LEU HD2 . 7220 1 330 . 1 1 34 34 LEU HD22 H 1 0.917 0.05 . 2 . . . . 34 LEU HD2 . 7220 1 331 . 1 1 34 34 LEU HD23 H 1 0.917 0.05 . 2 . . . . 34 LEU HD2 . 7220 1 332 . 1 1 34 34 LEU C C 13 170.590 0.1 . 1 . . . . 34 LEU C . 7220 1 333 . 1 1 34 34 LEU CA C 13 54.090 0.1 . 1 . . . . 34 LEU CA . 7220 1 334 . 1 1 34 34 LEU CB C 13 48.800 0.1 . 1 . . . . 34 LEU CB . 7220 1 335 . 1 1 34 34 LEU CG C 13 27.860 0.1 . 1 . . . . 34 LEU CG . 7220 1 336 . 1 1 34 34 LEU N N 15 122.640 0.1 . 1 . . . . 34 LEU N . 7220 1 337 . 1 1 35 35 ASP H H 1 8.870 0.05 . 1 . . . . 35 ASP HN . 7220 1 338 . 1 1 35 35 ASP HA H 1 5.420 0.05 . 1 . . . . 35 ASP HA . 7220 1 339 . 1 1 35 35 ASP HB2 H 1 2.060 0.05 . 2 . . . . 35 ASP HB1 . 7220 1 340 . 1 1 35 35 ASP HB3 H 1 2.470 0.05 . 2 . . . . 35 ASP HB2 . 7220 1 341 . 1 1 35 35 ASP C C 13 172.020 0.1 . 1 . . . . 35 ASP C . 7220 1 342 . 1 1 35 35 ASP CA C 13 53.400 0.1 . 1 . . . . 35 ASP CA . 7220 1 343 . 1 1 35 35 ASP CB C 13 42.570 0.1 . 1 . . . . 35 ASP CB . 7220 1 344 . 1 1 35 35 ASP N N 15 127.070 0.1 . 1 . . . . 35 ASP N . 7220 1 345 . 1 1 36 36 ILE H H 1 8.805 0.05 . 1 . . . . 36 ILE HN . 7220 1 346 . 1 1 36 36 ILE HA H 1 4.860 0.05 . 1 . . . . 36 ILE HA . 7220 1 347 . 1 1 36 36 ILE HB H 1 1.740 0.05 . 1 . . . . 36 ILE HB . 7220 1 348 . 1 1 36 36 ILE HG12 H 1 1.050 0.05 . 1 . . . . 36 ILE HG11 . 7220 1 349 . 1 1 36 36 ILE HG13 H 1 1.630 0.05 . 1 . . . . 36 ILE HG12 . 7220 1 350 . 1 1 36 36 ILE HG21 H 1 0.915 0.05 . 1 . . . . 36 ILE HG2 . 7220 1 351 . 1 1 36 36 ILE HG22 H 1 0.915 0.05 . 1 . . . . 36 ILE HG2 . 7220 1 352 . 1 1 36 36 ILE HG23 H 1 0.915 0.05 . 1 . . . . 36 ILE HG2 . 7220 1 353 . 1 1 36 36 ILE HD11 H 1 0.736 0.05 . 1 . . . . 36 ILE HD1 . 7220 1 354 . 1 1 36 36 ILE HD12 H 1 0.736 0.05 . 1 . . . . 36 ILE HD1 . 7220 1 355 . 1 1 36 36 ILE HD13 H 1 0.736 0.05 . 1 . . . . 36 ILE HD1 . 7220 1 356 . 1 1 36 36 ILE C C 13 172.350 0.1 . 1 . . . . 36 ILE C . 7220 1 357 . 1 1 36 36 ILE CA C 13 60.620 0.1 . 1 . . . . 36 ILE CA . 7220 1 358 . 1 1 36 36 ILE CB C 13 39.800 0.1 . 1 . . . . 36 ILE CB . 7220 1 359 . 1 1 36 36 ILE CG1 C 13 27.900 0.1 . 2 . . . . 36 ILE CG1 . 7220 1 360 . 1 1 36 36 ILE CG2 C 13 18.900 0.1 . 1 . . . . 36 ILE CG2 . 7220 1 361 . 1 1 36 36 ILE CD1 C 13 14.350 0.1 . 1 . . . . 36 ILE CD1 . 7220 1 362 . 1 1 36 36 ILE N N 15 121.270 0.1 . 1 . . . . 36 ILE N . 7220 1 363 . 1 1 37 37 ILE H H 1 8.750 0.05 . 1 . . . . 37 ILE HN . 7220 1 364 . 1 1 37 37 ILE HA H 1 5.020 0.05 . 1 . . . . 37 ILE HA . 7220 1 365 . 1 1 37 37 ILE HB H 1 1.230 0.05 . 1 . . . . 37 ILE HB . 7220 1 366 . 1 1 37 37 ILE HG12 H 1 0.710 0.05 . 1 . . . . 37 ILE HG11 . 7220 1 367 . 1 1 37 37 ILE HG13 H 1 1.200 0.05 . 1 . . . . 37 ILE HG12 . 7220 1 368 . 1 1 37 37 ILE HD11 H 1 0.606 0.05 . 1 . . . . 37 ILE HD1 . 7220 1 369 . 1 1 37 37 ILE HD12 H 1 0.606 0.05 . 1 . . . . 37 ILE HD1 . 7220 1 370 . 1 1 37 37 ILE HD13 H 1 0.606 0.05 . 1 . . . . 37 ILE HD1 . 7220 1 371 . 1 1 37 37 ILE C C 13 173.690 0.1 . 1 . . . . 37 ILE C . 7220 1 372 . 1 1 37 37 ILE CA C 13 60.280 0.1 . 1 . . . . 37 ILE CA . 7220 1 373 . 1 1 37 37 ILE CB C 13 43.210 0.1 . 1 . . . . 37 ILE CB . 7220 1 374 . 1 1 37 37 ILE CG1 C 13 28.070 0.1 . 2 . . . . 37 ILE CG1 . 7220 1 375 . 1 1 37 37 ILE CD1 C 13 14.670 0.1 . 1 . . . . 37 ILE CD1 . 7220 1 376 . 1 1 37 37 ILE N N 15 124.330 0.1 . 1 . . . . 37 ILE N . 7220 1 377 . 1 1 38 38 CYS H H 1 9.650 0.05 . 1 . . . . 38 CYS HN . 7220 1 378 . 1 1 38 38 CYS HA H 1 5.000 0.05 . 1 . . . . 38 CYS HA . 7220 1 379 . 1 1 38 38 CYS CA C 13 51.600 0.1 . 1 . . . . 38 CYS CA . 7220 1 380 . 1 1 38 38 CYS N N 15 127.130 0.1 . 1 . . . . 38 CYS N . 7220 1 381 . 1 1 39 39 PRO HA H 1 4.700 0.05 . 1 . . . . 39 PRO HA . 7220 1 382 . 1 1 39 39 PRO HB2 H 1 2.350 0.05 . 2 . . . . 39 PRO HB2 . 7220 1 383 . 1 1 39 39 PRO HG2 H 1 2.090 0.05 . 2 . . . . 39 PRO HG2 . 7220 1 384 . 1 1 39 39 PRO C C 13 173.420 0.1 . 1 . . . . 39 PRO C . 7220 1 385 . 1 1 39 39 PRO CA C 13 63.220 0.1 . 1 . . . . 39 PRO CA . 7220 1 386 . 1 1 39 39 PRO CB C 13 34.790 0.1 . 1 . . . . 39 PRO CB . 7220 1 387 . 1 1 39 39 PRO CG C 13 25.510 0.1 . 1 . . . . 39 PRO CG . 7220 1 388 . 1 1 39 39 PRO CD C 13 50.610 0.1 . 1 . . . . 39 PRO CD . 7220 1 389 . 1 1 40 40 LYS H H 1 8.660 0.05 . 1 . . . . 40 LYS HN . 7220 1 390 . 1 1 40 40 LYS HA H 1 4.240 0.05 . 1 . . . . 40 LYS HA . 7220 1 391 . 1 1 40 40 LYS HB2 H 1 1.830 0.05 . 2 . . . . 40 LYS HB2 . 7220 1 392 . 1 1 40 40 LYS C C 13 174.440 0.1 . 1 . . . . 40 LYS C . 7220 1 393 . 1 1 40 40 LYS CA C 13 57.320 0.1 . 1 . . . . 40 LYS CA . 7220 1 394 . 1 1 40 40 LYS CB C 13 31.120 0.1 . 1 . . . . 40 LYS CB . 7220 1 395 . 1 1 40 40 LYS N N 15 121.790 0.1 . 1 . . . . 40 LYS N . 7220 1 396 . 1 1 41 41 VAL H H 1 8.440 0.05 . 1 . . . . 41 VAL HN . 7220 1 397 . 1 1 41 41 VAL HA H 1 4.260 0.05 . 1 . . . . 41 VAL HA . 7220 1 398 . 1 1 41 41 VAL HB H 1 2.070 0.05 . 1 . . . . 41 VAL HB . 7220 1 399 . 1 1 41 41 VAL HG21 H 1 0.950 0.05 . 2 . . . . 41 VAL HG2 . 7220 1 400 . 1 1 41 41 VAL HG22 H 1 0.950 0.05 . 2 . . . . 41 VAL HG2 . 7220 1 401 . 1 1 41 41 VAL HG23 H 1 0.950 0.05 . 2 . . . . 41 VAL HG2 . 7220 1 402 . 1 1 41 41 VAL C C 13 172.470 0.1 . 1 . . . . 41 VAL C . 7220 1 403 . 1 1 41 41 VAL CA C 13 61.770 0.1 . 1 . . . . 41 VAL CA . 7220 1 404 . 1 1 41 41 VAL CB C 13 33.690 0.1 . 1 . . . . 41 VAL CB . 7220 1 405 . 1 1 41 41 VAL CG2 C 13 21.800 0.1 . 1 . . . . 41 VAL CG2 . 7220 1 406 . 1 1 41 41 VAL N N 15 117.640 0.1 . 1 . . . . 41 VAL N . 7220 1 407 . 1 1 42 42 ASP H H 1 8.340 0.05 . 1 . . . . 42 ASP HN . 7220 1 408 . 1 1 42 42 ASP HA H 1 4.635 0.05 . 1 . . . . 42 ASP HA . 7220 1 409 . 1 1 42 42 ASP HB2 H 1 2.680 0.05 . 2 . . . . 42 ASP HB1 . 7220 1 410 . 1 1 42 42 ASP HB3 H 1 2.880 0.05 . 2 . . . . 42 ASP HB2 . 7220 1 411 . 1 1 42 42 ASP C C 13 174.320 0.1 . 1 . . . . 42 ASP C . 7220 1 412 . 1 1 42 42 ASP CA C 13 53.930 0.1 . 1 . . . . 42 ASP CA . 7220 1 413 . 1 1 42 42 ASP CB C 13 42.660 0.1 . 1 . . . . 42 ASP CB . 7220 1 414 . 1 1 42 42 ASP N N 15 124.230 0.1 . 1 . . . . 42 ASP N . 7220 1 415 . 1 1 43 43 SER H H 1 8.350 0.05 . 1 . . . . 43 SER HN . 7220 1 416 . 1 1 43 43 SER HA H 1 4.220 0.05 . 1 . . . . 43 SER HA . 7220 1 417 . 1 1 43 43 SER HB2 H 1 3.920 0.05 . 2 . . . . 43 SER HB1 . 7220 1 418 . 1 1 43 43 SER HB3 H 1 3.980 0.05 . 2 . . . . 43 SER HB2 . 7220 1 419 . 1 1 43 43 SER C C 13 172.640 0.1 . 1 . . . . 43 SER C . 7220 1 420 . 1 1 43 43 SER CA C 13 60.990 0.1 . 1 . . . . 43 SER CA . 7220 1 421 . 1 1 43 43 SER CB C 13 63.400 0.1 . 1 . . . . 43 SER CB . 7220 1 422 . 1 1 43 43 SER N N 15 116.160 0.1 . 1 . . . . 43 SER N . 7220 1 423 . 1 1 44 44 LYS H H 1 8.390 0.05 . 1 . . . . 44 LYS HN . 7220 1 424 . 1 1 44 44 LYS HA H 1 4.350 0.05 . 1 . . . . 44 LYS HA . 7220 1 425 . 1 1 44 44 LYS HB2 H 1 1.910 0.05 . 2 . . . . 44 LYS HB1 . 7220 1 426 . 1 1 44 44 LYS HB3 H 1 1.850 0.05 . 2 . . . . 44 LYS HB2 . 7220 1 427 . 1 1 44 44 LYS HG2 H 1 1.450 0.05 . 2 . . . . 44 LYS HG2 . 7220 1 428 . 1 1 44 44 LYS HD2 H 1 1.660 0.05 . 2 . . . . 44 LYS HD2 . 7220 1 429 . 1 1 44 44 LYS C C 13 174.440 0.1 . 1 . . . . 44 LYS C . 7220 1 430 . 1 1 44 44 LYS CA C 13 57.280 0.1 . 1 . . . . 44 LYS CA . 7220 1 431 . 1 1 44 44 LYS CB C 13 32.710 0.1 . 1 . . . . 44 LYS CB . 7220 1 432 . 1 1 44 44 LYS CG C 13 25.420 0.1 . 1 . . . . 44 LYS CG . 7220 1 433 . 1 1 44 44 LYS CD C 13 29.380 0.1 . 1 . . . . 44 LYS CD . 7220 1 434 . 1 1 44 44 LYS CE C 13 42.570 0.1 . 1 . . . . 44 LYS CE . 7220 1 435 . 1 1 44 44 LYS N N 15 120.710 0.1 . 1 . . . . 44 LYS N . 7220 1 436 . 1 1 45 45 THR H H 1 7.870 0.05 . 1 . . . . 45 THR HN . 7220 1 437 . 1 1 45 45 THR HA H 1 4.400 0.05 . 1 . . . . 45 THR HA . 7220 1 438 . 1 1 45 45 THR HB H 1 3.080 0.05 . 1 . . . . 45 THR HB . 7220 1 439 . 1 1 45 45 THR HG21 H 1 1.160 0.05 . 1 . . . . 45 THR HG2 . 7220 1 440 . 1 1 45 45 THR HG22 H 1 1.160 0.05 . 1 . . . . 45 THR HG2 . 7220 1 441 . 1 1 45 45 THR HG23 H 1 1.160 0.05 . 1 . . . . 45 THR HG2 . 7220 1 442 . 1 1 45 45 THR C C 13 171.710 0.1 . 1 . . . . 45 THR C . 7220 1 443 . 1 1 45 45 THR CA C 13 62.060 0.1 . 1 . . . . 45 THR CA . 7220 1 444 . 1 1 45 45 THR CB C 13 70.200 0.1 . 1 . . . . 45 THR CB . 7220 1 445 . 1 1 45 45 THR N N 15 113.410 0.1 . 1 . . . . 45 THR N . 7220 1 446 . 1 1 46 46 VAL H H 1 8.000 0.05 . 1 . . . . 46 VAL HN . 7220 1 447 . 1 1 46 46 VAL HA H 1 4.010 0.05 . 1 . . . . 46 VAL HA . 7220 1 448 . 1 1 46 46 VAL HB H 1 2.120 0.05 . 1 . . . . 46 VAL HB . 7220 1 449 . 1 1 46 46 VAL HG21 H 1 0.930 0.05 . 2 . . . . 46 VAL HG2 . 7220 1 450 . 1 1 46 46 VAL HG22 H 1 0.930 0.05 . 2 . . . . 46 VAL HG2 . 7220 1 451 . 1 1 46 46 VAL HG23 H 1 0.930 0.05 . 2 . . . . 46 VAL HG2 . 7220 1 452 . 1 1 46 46 VAL C C 13 173.910 0.1 . 1 . . . . 46 VAL C . 7220 1 453 . 1 1 46 46 VAL CA C 13 63.560 0.1 . 1 . . . . 46 VAL CA . 7220 1 454 . 1 1 46 46 VAL CB C 13 32.370 0.1 . 1 . . . . 46 VAL CB . 7220 1 455 . 1 1 46 46 VAL CG2 C 13 21.240 0.1 . 1 . . . . 46 VAL CG2 . 7220 1 456 . 1 1 46 46 VAL N N 15 122.370 0.1 . 1 . . . . 46 VAL N . 7220 1 457 . 1 1 47 47 GLY H H 1 8.430 0.05 . 1 . . . . 47 GLY HN . 7220 1 458 . 1 1 47 47 GLY HA2 H 1 3.640 0.05 . 2 . . . . 47 GLY HA1 . 7220 1 459 . 1 1 47 47 GLY HA3 H 1 3.910 0.05 . 2 . . . . 47 GLY HA2 . 7220 1 460 . 1 1 47 47 GLY C C 13 170.900 0.1 . 1 . . . . 47 GLY C . 7220 1 461 . 1 1 47 47 GLY CA C 13 45.700 0.1 . 1 . . . . 47 GLY CA . 7220 1 462 . 1 1 47 47 GLY N N 15 112.010 0.1 . 1 . . . . 47 GLY N . 7220 1 463 . 1 1 48 48 GLN H H 1 8.170 0.05 . 1 . . . . 48 GLN HN . 7220 1 464 . 1 1 48 48 GLN HA H 1 4.530 0.05 . 1 . . . . 48 GLN HA . 7220 1 465 . 1 1 48 48 GLN HB2 H 1 2.240 0.05 . 2 . . . . 48 GLN HB1 . 7220 1 466 . 1 1 48 48 GLN HB3 H 1 2.010 0.05 . 2 . . . . 48 GLN HB2 . 7220 1 467 . 1 1 48 48 GLN HG2 H 1 2.370 0.05 . 2 . . . . 48 GLN HG2 . 7220 1 468 . 1 1 48 48 GLN HE21 H 1 7.300 0.05 . 2 . . . . 48 GLN HE21 . 7220 1 469 . 1 1 48 48 GLN HE22 H 1 6.460 0.05 . 2 . . . . 48 GLN HE22 . 7220 1 470 . 1 1 48 48 GLN C C 13 172.610 0.1 . 1 . . . . 48 GLN C . 7220 1 471 . 1 1 48 48 GLN CA C 13 55.180 0.1 . 1 . . . . 48 GLN CA . 7220 1 472 . 1 1 48 48 GLN CB C 13 30.590 0.1 . 1 . . . . 48 GLN CB . 7220 1 473 . 1 1 48 48 GLN CG C 13 34.520 0.1 . 1 . . . . 48 GLN CG . 7220 1 474 . 1 1 48 48 GLN N N 15 118.550 0.1 . 1 . . . . 48 GLN N . 7220 1 475 . 1 1 48 48 GLN NE2 N 15 113.060 0.1 . 1 . . . . 48 GLN NE2 . 7220 1 476 . 1 1 49 49 TYR H H 1 8.420 0.05 . 1 . . . . 49 TYR HN . 7220 1 477 . 1 1 49 49 TYR HA H 1 4.130 0.05 . 1 . . . . 49 TYR HA . 7220 1 478 . 1 1 49 49 TYR HB2 H 1 2.420 0.05 . 2 . . . . 49 TYR HB1 . 7220 1 479 . 1 1 49 49 TYR HB3 H 1 2.890 0.05 . 2 . . . . 49 TYR HB2 . 7220 1 480 . 1 1 49 49 TYR C C 13 171.490 0.1 . 1 . . . . 49 TYR C . 7220 1 481 . 1 1 49 49 TYR CA C 13 59.400 0.1 . 1 . . . . 49 TYR CA . 7220 1 482 . 1 1 49 49 TYR CB C 13 39.260 0.1 . 1 . . . . 49 TYR CB . 7220 1 483 . 1 1 49 49 TYR N N 15 123.770 0.1 . 1 . . . . 49 TYR N . 7220 1 484 . 1 1 50 50 GLU CA C 13 52.600 0.1 . 1 . . . . 50 GLU CA . 7220 1 485 . 1 1 50 50 GLU CB C 13 32.500 0.1 . 1 . . . . 50 GLU CB . 7220 1 486 . 1 1 51 51 TYR H H 1 7.420 0.05 . 1 . . . . 51 TYR HN . 7220 1 487 . 1 1 51 51 TYR HA H 1 4.650 0.05 . 1 . . . . 51 TYR HA . 7220 1 488 . 1 1 51 51 TYR HB2 H 1 2.080 0.05 . 2 . . . . 51 TYR HB1 . 7220 1 489 . 1 1 51 51 TYR HB3 H 1 2.710 0.05 . 2 . . . . 51 TYR HB2 . 7220 1 490 . 1 1 51 51 TYR CA C 13 54.820 0.1 . 1 . . . . 51 TYR CA . 7220 1 491 . 1 1 51 51 TYR CB C 13 40.070 0.1 . 1 . . . . 51 TYR CB . 7220 1 492 . 1 1 51 51 TYR N N 15 120.560 0.1 . 1 . . . . 51 TYR N . 7220 1 493 . 1 1 52 52 TYR HA H 1 4.920 0.05 . 1 . . . . 52 TYR HA . 7220 1 494 . 1 1 52 52 TYR HB2 H 1 2.380 0.05 . 2 . . . . 52 TYR HB1 . 7220 1 495 . 1 1 52 52 TYR HB3 H 1 2.920 0.05 . 2 . . . . 52 TYR HB2 . 7220 1 496 . 1 1 52 52 TYR C C 13 171.860 0.1 . 1 . . . . 52 TYR C . 7220 1 497 . 1 1 52 52 TYR CA C 13 58.470 0.1 . 1 . . . . 52 TYR CA . 7220 1 498 . 1 1 52 52 TYR CB C 13 45.610 0.1 . 1 . . . . 52 TYR CB . 7220 1 499 . 1 1 53 53 LYS H H 1 8.480 0.05 . 1 . . . . 53 LYS HN . 7220 1 500 . 1 1 53 53 LYS HA H 1 4.500 0.05 . 1 . . . . 53 LYS HA . 7220 1 501 . 1 1 53 53 LYS HB2 H 1 2.520 0.05 . 2 . . . . 53 LYS HB1 . 7220 1 502 . 1 1 53 53 LYS HB3 H 1 2.610 0.05 . 2 . . . . 53 LYS HB2 . 7220 1 503 . 1 1 53 53 LYS C C 13 173.130 0.1 . 1 . . . . 53 LYS C . 7220 1 504 . 1 1 53 53 LYS CA C 13 56.790 0.1 . 1 . . . . 53 LYS CA . 7220 1 505 . 1 1 53 53 LYS CB C 13 36.310 0.1 . 1 . . . . 53 LYS CB . 7220 1 506 . 1 1 53 53 LYS CG C 13 28.300 0.1 . 1 . . . . 53 LYS CG . 7220 1 507 . 1 1 53 53 LYS N N 15 120.070 0.1 . 1 . . . . 53 LYS N . 7220 1 508 . 1 1 54 54 VAL H H 1 8.380 0.05 . 1 . . . . 54 VAL HN . 7220 1 509 . 1 1 54 54 VAL HA H 1 4.140 0.05 . 1 . . . . 54 VAL HA . 7220 1 510 . 1 1 54 54 VAL HB H 1 1.270 0.05 . 1 . . . . 54 VAL HB . 7220 1 511 . 1 1 54 54 VAL HG11 H 1 -0.269 0.05 . 2 . . . . 54 VAL HG1 . 7220 1 512 . 1 1 54 54 VAL HG12 H 1 -0.269 0.05 . 2 . . . . 54 VAL HG1 . 7220 1 513 . 1 1 54 54 VAL HG13 H 1 -0.269 0.05 . 2 . . . . 54 VAL HG1 . 7220 1 514 . 1 1 54 54 VAL HG21 H 1 -0.453 0.05 . 2 . . . . 54 VAL HG2 . 7220 1 515 . 1 1 54 54 VAL HG22 H 1 -0.453 0.05 . 2 . . . . 54 VAL HG2 . 7220 1 516 . 1 1 54 54 VAL HG23 H 1 -0.453 0.05 . 2 . . . . 54 VAL HG2 . 7220 1 517 . 1 1 54 54 VAL C C 13 171.240 0.1 . 1 . . . . 54 VAL C . 7220 1 518 . 1 1 54 54 VAL CA C 13 62.420 0.1 . 1 . . . . 54 VAL CA . 7220 1 519 . 1 1 54 54 VAL CB C 13 33.720 0.1 . 1 . . . . 54 VAL CB . 7220 1 520 . 1 1 54 54 VAL CG1 C 13 21.300 0.1 . 1 . . . . 54 VAL CG1 . 7220 1 521 . 1 1 54 54 VAL CG2 C 13 19.000 0.1 . 1 . . . . 54 VAL CG2 . 7220 1 522 . 1 1 54 54 VAL N N 15 128.140 0.1 . 1 . . . . 54 VAL N . 7220 1 523 . 1 1 55 55 TYR H H 1 8.920 0.05 . 1 . . . . 55 TYR HN . 7220 1 524 . 1 1 55 55 TYR HA H 1 4.660 0.05 . 1 . . . . 55 TYR HA . 7220 1 525 . 1 1 55 55 TYR HB2 H 1 2.406 0.05 . 2 . . . . 55 TYR HB1 . 7220 1 526 . 1 1 55 55 TYR HB3 H 1 2.850 0.05 . 2 . . . . 55 TYR HB2 . 7220 1 527 . 1 1 55 55 TYR C C 13 171.080 0.1 . 1 . . . . 55 TYR C . 7220 1 528 . 1 1 55 55 TYR CA C 13 58.140 0.1 . 1 . . . . 55 TYR CA . 7220 1 529 . 1 1 55 55 TYR CB C 13 43.900 0.1 . 1 . . . . 55 TYR CB . 7220 1 530 . 1 1 55 55 TYR N N 15 124.930 0.1 . 1 . . . . 55 TYR N . 7220 1 531 . 1 1 56 56 MET H H 1 9.155 0.05 . 1 . . . . 56 MET HN . 7220 1 532 . 1 1 56 56 MET HA H 1 5.530 0.05 . 1 . . . . 56 MET HA . 7220 1 533 . 1 1 56 56 MET HB2 H 1 1.790 0.05 . 2 . . . . 56 MET HB2 . 7220 1 534 . 1 1 56 56 MET HG2 H 1 2.690 0.05 . 2 . . . . 56 MET HG1 . 7220 1 535 . 1 1 56 56 MET HG3 H 1 2.820 0.05 . 2 . . . . 56 MET HG2 . 7220 1 536 . 1 1 56 56 MET C C 13 173.290 0.1 . 1 . . . . 56 MET C . 7220 1 537 . 1 1 56 56 MET CA C 13 55.450 0.1 . 1 . . . . 56 MET CA . 7220 1 538 . 1 1 56 56 MET CB C 13 34.610 0.1 . 1 . . . . 56 MET CB . 7220 1 539 . 1 1 56 56 MET CG C 13 32.480 0.1 . 1 . . . . 56 MET CG . 7220 1 540 . 1 1 56 56 MET N N 15 123.110 0.1 . 1 . . . . 56 MET N . 7220 1 541 . 1 1 57 57 VAL H H 1 8.990 0.05 . 1 . . . . 57 VAL HN . 7220 1 542 . 1 1 57 57 VAL HA H 1 4.970 0.05 . 1 . . . . 57 VAL HA . 7220 1 543 . 1 1 57 57 VAL HB H 1 2.390 0.05 . 1 . . . . 57 VAL HB . 7220 1 544 . 1 1 57 57 VAL HG21 H 1 0.740 0.05 . 2 . . . . 57 VAL HG2 . 7220 1 545 . 1 1 57 57 VAL HG22 H 1 0.740 0.05 . 2 . . . . 57 VAL HG2 . 7220 1 546 . 1 1 57 57 VAL HG23 H 1 0.740 0.05 . 2 . . . . 57 VAL HG2 . 7220 1 547 . 1 1 57 57 VAL C C 13 171.710 0.1 . 1 . . . . 57 VAL C . 7220 1 548 . 1 1 57 57 VAL CA C 13 59.400 0.1 . 1 . . . . 57 VAL CA . 7220 1 549 . 1 1 57 57 VAL CB C 13 36.760 0.1 . 1 . . . . 57 VAL CB . 7220 1 550 . 1 1 57 57 VAL CG2 C 13 22.500 0.1 . 1 . . . . 57 VAL CG2 . 7220 1 551 . 1 1 57 57 VAL N N 15 119.610 0.1 . 1 . . . . 57 VAL N . 7220 1 552 . 1 1 58 58 ASP HA H 1 4.910 0.05 . 1 . . . . 58 ASP HA . 7220 1 553 . 1 1 58 58 ASP HB2 H 1 2.820 0.05 . 2 . . . . 58 ASP HB1 . 7220 1 554 . 1 1 58 58 ASP HB3 H 1 3.080 0.05 . 2 . . . . 58 ASP HB2 . 7220 1 555 . 1 1 58 58 ASP C C 13 172.680 0.1 . 1 . . . . 58 ASP C . 7220 1 556 . 1 1 58 58 ASP CA C 13 52.600 0.1 . 1 . . . . 58 ASP CA . 7220 1 557 . 1 1 58 58 ASP CB C 13 42.480 0.1 . 1 . . . . 58 ASP CB . 7220 1 558 . 1 1 59 59 LYS H H 1 8.300 0.05 . 1 . . . . 59 LYS HN . 7220 1 559 . 1 1 59 59 LYS HA H 1 4.630 0.05 . 1 . . . . 59 LYS HA . 7220 1 560 . 1 1 59 59 LYS HB2 H 1 2.510 0.05 . 2 . . . . 59 LYS HB2 . 7220 1 561 . 1 1 59 59 LYS C C 13 174.280 0.1 . 1 . . . . 59 LYS C . 7220 1 562 . 1 1 59 59 LYS CA C 13 60.360 0.1 . 1 . . . . 59 LYS CA . 7220 1 563 . 1 1 59 59 LYS CB C 13 33.840 0.1 . 1 . . . . 59 LYS CB . 7220 1 564 . 1 1 59 59 LYS CG C 13 25.410 0.1 . 1 . . . . 59 LYS CG . 7220 1 565 . 1 1 59 59 LYS CD C 13 30.350 0.1 . 1 . . . . 59 LYS CD . 7220 1 566 . 1 1 59 59 LYS CE C 13 43.210 0.1 . 1 . . . . 59 LYS CE . 7220 1 567 . 1 1 59 59 LYS N N 15 119.420 0.1 . 1 . . . . 59 LYS N . 7220 1 568 . 1 1 60 60 ASP H H 1 7.920 0.05 . 1 . . . . 60 ASP HN . 7220 1 569 . 1 1 60 60 ASP HA H 1 4.190 0.05 . 1 . . . . 60 ASP HA . 7220 1 570 . 1 1 60 60 ASP HB2 H 1 2.530 0.05 . 2 . . . . 60 ASP HB1 . 7220 1 571 . 1 1 60 60 ASP HB3 H 1 2.640 0.05 . 2 . . . . 60 ASP HB2 . 7220 1 572 . 1 1 60 60 ASP C C 13 175.630 0.1 . 1 . . . . 60 ASP C . 7220 1 573 . 1 1 60 60 ASP CA C 13 58.000 0.1 . 1 . . . . 60 ASP CA . 7220 1 574 . 1 1 60 60 ASP CB C 13 41.500 0.1 . 1 . . . . 60 ASP CB . 7220 1 575 . 1 1 60 60 ASP N N 15 116.270 0.1 . 1 . . . . 60 ASP N . 7220 1 576 . 1 1 61 61 GLN H H 1 7.602 0.05 . 1 . . . . 61 GLN HN . 7220 1 577 . 1 1 61 61 GLN HA H 1 3.880 0.05 . 1 . . . . 61 GLN HA . 7220 1 578 . 1 1 61 61 GLN HB2 H 1 2.110 0.05 . 2 . . . . 61 GLN HB1 . 7220 1 579 . 1 1 61 61 GLN HB3 H 1 2.500 0.05 . 2 . . . . 61 GLN HB2 . 7220 1 580 . 1 1 61 61 GLN HG2 H 1 2.260 0.05 . 2 . . . . 61 GLN HG1 . 7220 1 581 . 1 1 61 61 GLN HG3 H 1 2.540 0.05 . 2 . . . . 61 GLN HG2 . 7220 1 582 . 1 1 61 61 GLN HE21 H 1 7.715 0.05 . 2 . . . . 61 GLN HE21 . 7220 1 583 . 1 1 61 61 GLN HE22 H 1 7.490 0.05 . 2 . . . . 61 GLN HE22 . 7220 1 584 . 1 1 61 61 GLN C C 13 175.500 0.1 . 1 . . . . 61 GLN C . 7220 1 585 . 1 1 61 61 GLN CA C 13 60.190 0.1 . 1 . . . . 61 GLN CA . 7220 1 586 . 1 1 61 61 GLN CB C 13 31.130 0.1 . 1 . . . . 61 GLN CB . 7220 1 587 . 1 1 61 61 GLN CG C 13 37.000 0.1 . 1 . . . . 61 GLN CG . 7220 1 588 . 1 1 61 61 GLN N N 15 117.100 0.1 . 1 . . . . 61 GLN N . 7220 1 589 . 1 1 61 61 GLN NE2 N 15 112.050 0.1 . 1 . . . . 61 GLN NE2 . 7220 1 590 . 1 1 62 62 ALA H H 1 7.890 0.05 . 1 . . . . 62 ALA HN . 7220 1 591 . 1 1 62 62 ALA HA H 1 3.960 0.05 . 1 . . . . 62 ALA HA . 7220 1 592 . 1 1 62 62 ALA HB1 H 1 0.940 0.05 . 1 . . . . 62 ALA HB . 7220 1 593 . 1 1 62 62 ALA HB2 H 1 0.940 0.05 . 1 . . . . 62 ALA HB . 7220 1 594 . 1 1 62 62 ALA HB3 H 1 0.940 0.05 . 1 . . . . 62 ALA HB . 7220 1 595 . 1 1 62 62 ALA C C 13 176.970 0.1 . 1 . . . . 62 ALA C . 7220 1 596 . 1 1 62 62 ALA CA C 13 55.510 0.1 . 1 . . . . 62 ALA CA . 7220 1 597 . 1 1 62 62 ALA CB C 13 18.820 0.1 . 1 . . . . 62 ALA CB . 7220 1 598 . 1 1 62 62 ALA N N 15 121.050 0.1 . 1 . . . . 62 ALA N . 7220 1 599 . 1 1 63 63 ASP H H 1 8.780 0.05 . 1 . . . . 63 ASP HN . 7220 1 600 . 1 1 63 63 ASP HA H 1 4.150 0.05 . 1 . . . . 63 ASP HA . 7220 1 601 . 1 1 63 63 ASP HB2 H 1 2.730 0.05 . 2 . . . . 63 ASP HB1 . 7220 1 602 . 1 1 63 63 ASP HB3 H 1 2.530 0.05 . 2 . . . . 63 ASP HB2 . 7220 1 603 . 1 1 63 63 ASP C C 13 175.780 0.1 . 1 . . . . 63 ASP C . 7220 1 604 . 1 1 63 63 ASP CA C 13 57.400 0.1 . 1 . . . . 63 ASP CA . 7220 1 605 . 1 1 63 63 ASP CB C 13 40.400 0.1 . 1 . . . . 63 ASP CB . 7220 1 606 . 1 1 63 63 ASP N N 15 118.090 0.1 . 1 . . . . 63 ASP N . 7220 1 607 . 1 1 64 64 ARG H H 1 7.390 0.05 . 1 . . . . 64 ARG HN . 7220 1 608 . 1 1 64 64 ARG HA H 1 4.290 0.05 . 1 . . . . 64 ARG HA . 7220 1 609 . 1 1 64 64 ARG HB2 H 1 1.660 0.05 . 2 . . . . 64 ARG HB1 . 7220 1 610 . 1 1 64 64 ARG HB3 H 1 1.930 0.05 . 2 . . . . 64 ARG HB2 . 7220 1 611 . 1 1 64 64 ARG HG2 H 1 1.770 0.05 . 2 . . . . 64 ARG HG2 . 7220 1 612 . 1 1 64 64 ARG HD2 H 1 3.140 0.05 . 2 . . . . 64 ARG HD2 . 7220 1 613 . 1 1 64 64 ARG C C 13 172.760 0.1 . 1 . . . . 64 ARG C . 7220 1 614 . 1 1 64 64 ARG CA C 13 56.000 0.1 . 1 . . . . 64 ARG CA . 7220 1 615 . 1 1 64 64 ARG CB C 13 31.200 0.1 . 1 . . . . 64 ARG CB . 7220 1 616 . 1 1 64 64 ARG CG C 13 28.720 0.1 . 1 . . . . 64 ARG CG . 7220 1 617 . 1 1 64 64 ARG CD C 13 43.960 0.1 . 1 . . . . 64 ARG CD . 7220 1 618 . 1 1 64 64 ARG N N 15 115.230 0.1 . 1 . . . . 64 ARG N . 7220 1 619 . 1 1 65 65 CYS H H 1 7.930 0.05 . 1 . . . . 65 CYS HN . 7220 1 620 . 1 1 65 65 CYS HA H 1 4.156 0.05 . 1 . . . . 65 CYS HA . 7220 1 621 . 1 1 65 65 CYS HB2 H 1 3.241 0.05 . 2 . . . . 65 CYS HB1 . 7220 1 622 . 1 1 65 65 CYS HB3 H 1 3.428 0.05 . 2 . . . . 65 CYS HB2 . 7220 1 623 . 1 1 65 65 CYS C C 13 169.680 0.1 . 1 . . . . 65 CYS C . 7220 1 624 . 1 1 65 65 CYS CA C 13 54.750 0.1 . 1 . . . . 65 CYS CA . 7220 1 625 . 1 1 65 65 CYS CB C 13 36.440 0.1 . 1 . . . . 65 CYS CB . 7220 1 626 . 1 1 65 65 CYS N N 15 119.120 0.1 . 1 . . . . 65 CYS N . 7220 1 627 . 1 1 66 66 THR H H 1 8.210 0.05 . 1 . . . . 66 THR HN . 7220 1 628 . 1 1 66 66 THR HA H 1 5.120 0.05 . 1 . . . . 66 THR HA . 7220 1 629 . 1 1 66 66 THR HB H 1 3.830 0.05 . 1 . . . . 66 THR HB . 7220 1 630 . 1 1 66 66 THR HG21 H 1 1.080 0.05 . 1 . . . . 66 THR HG2 . 7220 1 631 . 1 1 66 66 THR HG22 H 1 1.080 0.05 . 1 . . . . 66 THR HG2 . 7220 1 632 . 1 1 66 66 THR HG23 H 1 1.080 0.05 . 1 . . . . 66 THR HG2 . 7220 1 633 . 1 1 66 66 THR C C 13 171.280 0.1 . 1 . . . . 66 THR C . 7220 1 634 . 1 1 66 66 THR CA C 13 61.260 0.1 . 1 . . . . 66 THR CA . 7220 1 635 . 1 1 66 66 THR CB C 13 72.400 0.1 . 1 . . . . 66 THR CB . 7220 1 636 . 1 1 66 66 THR CG2 C 13 21.800 0.1 . 1 . . . . 66 THR CG2 . 7220 1 637 . 1 1 66 66 THR N N 15 113.490 0.1 . 1 . . . . 66 THR N . 7220 1 638 . 1 1 67 67 ILE H H 1 8.000 0.05 . 1 . . . . 67 ILE HN . 7220 1 639 . 1 1 67 67 ILE HA H 1 4.280 0.05 . 1 . . . . 67 ILE HA . 7220 1 640 . 1 1 67 67 ILE HB H 1 1.390 0.05 . 1 . . . . 67 ILE HB . 7220 1 641 . 1 1 67 67 ILE HG12 H 1 0.914 0.05 . 1 . . . . 67 ILE HG11 . 7220 1 642 . 1 1 67 67 ILE HG13 H 1 1.220 0.05 . 1 . . . . 67 ILE HG12 . 7220 1 643 . 1 1 67 67 ILE HG21 H 1 0.340 0.05 . 1 . . . . 67 ILE HG2 . 7220 1 644 . 1 1 67 67 ILE HG22 H 1 0.340 0.05 . 1 . . . . 67 ILE HG2 . 7220 1 645 . 1 1 67 67 ILE HG23 H 1 0.340 0.05 . 1 . . . . 67 ILE HG2 . 7220 1 646 . 1 1 67 67 ILE HD11 H 1 0.240 0.05 . 1 . . . . 67 ILE HD1 . 7220 1 647 . 1 1 67 67 ILE HD12 H 1 0.240 0.05 . 1 . . . . 67 ILE HD1 . 7220 1 648 . 1 1 67 67 ILE HD13 H 1 0.240 0.05 . 1 . . . . 67 ILE HD1 . 7220 1 649 . 1 1 67 67 ILE C C 13 173.060 0.1 . 1 . . . . 67 ILE C . 7220 1 650 . 1 1 67 67 ILE CA C 13 58.940 0.1 . 1 . . . . 67 ILE CA . 7220 1 651 . 1 1 67 67 ILE CB C 13 39.980 0.1 . 1 . . . . 67 ILE CB . 7220 1 652 . 1 1 67 67 ILE CG1 C 13 25.870 0.1 . 2 . . . . 67 ILE CG1 . 7220 1 653 . 1 1 67 67 ILE CG2 C 13 18.150 0.1 . 1 . . . . 67 ILE CG2 . 7220 1 654 . 1 1 67 67 ILE CD1 C 13 13.380 0.1 . 1 . . . . 67 ILE CD1 . 7220 1 655 . 1 1 67 67 ILE N N 15 118.660 0.1 . 1 . . . . 67 ILE N . 7220 1 656 . 1 1 68 68 LYS H H 1 7.970 0.05 . 1 . . . . 68 LYS HN . 7220 1 657 . 1 1 68 68 LYS HA H 1 4.420 0.05 . 1 . . . . 68 LYS HA . 7220 1 658 . 1 1 68 68 LYS HB2 H 1 1.544 0.05 . 2 . . . . 68 LYS HB1 . 7220 1 659 . 1 1 68 68 LYS HB3 H 1 1.940 0.05 . 2 . . . . 68 LYS HB2 . 7220 1 660 . 1 1 68 68 LYS HG2 H 1 1.526 0.05 . 2 . . . . 68 LYS HG2 . 7220 1 661 . 1 1 68 68 LYS HD2 H 1 1.325 0.05 . 2 . . . . 68 LYS HD2 . 7220 1 662 . 1 1 68 68 LYS HE2 H 1 2.900 0.05 . 2 . . . . 68 LYS HE1 . 7220 1 663 . 1 1 68 68 LYS HE3 H 1 2.870 0.05 . 2 . . . . 68 LYS HE2 . 7220 1 664 . 1 1 68 68 LYS C C 13 174.530 0.1 . 1 . . . . 68 LYS C . 7220 1 665 . 1 1 68 68 LYS CA C 13 55.360 0.1 . 1 . . . . 68 LYS CA . 7220 1 666 . 1 1 68 68 LYS CB C 13 34.400 0.1 . 1 . . . . 68 LYS CB . 7220 1 667 . 1 1 68 68 LYS CE C 13 42.090 0.1 . 1 . . . . 68 LYS CE . 7220 1 668 . 1 1 68 68 LYS N N 15 122.280 0.1 . 1 . . . . 68 LYS N . 7220 1 669 . 1 1 69 69 LYS H H 1 8.400 0.05 . 1 . . . . 69 LYS HN . 7220 1 670 . 1 1 69 69 LYS HA H 1 4.020 0.05 . 1 . . . . 69 LYS HA . 7220 1 671 . 1 1 69 69 LYS HB2 H 1 1.650 0.05 . 2 . . . . 69 LYS HB1 . 7220 1 672 . 1 1 69 69 LYS HB3 H 1 1.830 0.05 . 2 . . . . 69 LYS HB2 . 7220 1 673 . 1 1 69 69 LYS HG2 H 1 1.390 0.05 . 2 . . . . 69 LYS HG2 . 7220 1 674 . 1 1 69 69 LYS C C 13 174.200 0.1 . 1 . . . . 69 LYS C . 7220 1 675 . 1 1 69 69 LYS CA C 13 58.850 0.1 . 1 . . . . 69 LYS CA . 7220 1 676 . 1 1 69 69 LYS CB C 13 32.650 0.1 . 1 . . . . 69 LYS CB . 7220 1 677 . 1 1 69 69 LYS CG C 13 25.900 0.1 . 1 . . . . 69 LYS CG . 7220 1 678 . 1 1 69 69 LYS CD C 13 30.010 0.1 . 1 . . . . 69 LYS CD . 7220 1 679 . 1 1 69 69 LYS CE C 13 42.350 0.1 . 1 . . . . 69 LYS CE . 7220 1 680 . 1 1 69 69 LYS N N 15 121.540 0.1 . 1 . . . . 69 LYS N . 7220 1 681 . 1 1 70 70 GLU H H 1 8.510 0.05 . 1 . . . . 70 GLU HN . 7220 1 682 . 1 1 70 70 GLU HA H 1 4.170 0.05 . 1 . . . . 70 GLU HA . 7220 1 683 . 1 1 70 70 GLU HB2 H 1 1.990 0.05 . 2 . . . . 70 GLU HB1 . 7220 1 684 . 1 1 70 70 GLU HB3 H 1 2.040 0.05 . 2 . . . . 70 GLU HB2 . 7220 1 685 . 1 1 70 70 GLU HG2 H 1 2.190 0.05 . 2 . . . . 70 GLU HG1 . 7220 1 686 . 1 1 70 70 GLU HG3 H 1 2.307 0.05 . 2 . . . . 70 GLU HG2 . 7220 1 687 . 1 1 70 70 GLU C C 13 173.700 0.1 . 1 . . . . 70 GLU C . 7220 1 688 . 1 1 70 70 GLU CA C 13 58.040 0.1 . 1 . . . . 70 GLU CA . 7220 1 689 . 1 1 70 70 GLU CB C 13 28.670 0.1 . 1 . . . . 70 GLU CB . 7220 1 690 . 1 1 70 70 GLU CG C 13 36.980 0.1 . 1 . . . . 70 GLU CG . 7220 1 691 . 1 1 70 70 GLU N N 15 116.130 0.1 . 1 . . . . 70 GLU N . 7220 1 692 . 1 1 71 71 ASN H H 1 7.820 0.05 . 1 . . . . 71 ASN HN . 7220 1 693 . 1 1 71 71 ASN HA H 1 4.800 0.05 . 1 . . . . 71 ASN HA . 7220 1 694 . 1 1 71 71 ASN HB2 H 1 2.640 0.05 . 2 . . . . 71 ASN HB1 . 7220 1 695 . 1 1 71 71 ASN HB3 H 1 2.890 0.05 . 2 . . . . 71 ASN HB2 . 7220 1 696 . 1 1 71 71 ASN HD21 H 1 7.530 0.05 . 2 . . . . 71 ASN HD21 . 7220 1 697 . 1 1 71 71 ASN HD22 H 1 7.380 0.05 . 2 . . . . 71 ASN HD22 . 7220 1 698 . 1 1 71 71 ASN C C 13 171.610 0.1 . 1 . . . . 71 ASN C . 7220 1 699 . 1 1 71 71 ASN CA C 13 53.900 0.1 . 1 . . . . 71 ASN CA . 7220 1 700 . 1 1 71 71 ASN CB C 13 40.780 0.1 . 1 . . . . 71 ASN CB . 7220 1 701 . 1 1 71 71 ASN N N 15 119.770 0.1 . 1 . . . . 71 ASN N . 7220 1 702 . 1 1 71 71 ASN ND2 N 15 110.520 0.1 . 1 . . . . 71 ASN ND2 . 7220 1 703 . 1 1 72 72 THR H H 1 8.730 0.05 . 1 . . . . 72 THR HN . 7220 1 704 . 1 1 72 72 THR HA H 1 4.050 0.05 . 1 . . . . 72 THR HA . 7220 1 705 . 1 1 72 72 THR HG21 H 1 1.170 0.05 . 1 . . . . 72 THR HG2 . 7220 1 706 . 1 1 72 72 THR HG22 H 1 1.170 0.05 . 1 . . . . 72 THR HG2 . 7220 1 707 . 1 1 72 72 THR HG23 H 1 1.170 0.05 . 1 . . . . 72 THR HG2 . 7220 1 708 . 1 1 72 72 THR C C 13 169.370 0.1 . 1 . . . . 72 THR C . 7220 1 709 . 1 1 72 72 THR CA C 13 60.180 0.1 . 1 . . . . 72 THR CA . 7220 1 710 . 1 1 72 72 THR CB C 13 71.100 0.1 . 1 . . . . 72 THR CB . 7220 1 711 . 1 1 72 72 THR CG2 C 13 20.950 0.1 . 1 . . . . 72 THR CG2 . 7220 1 712 . 1 1 72 72 THR N N 15 118.400 0.1 . 1 . . . . 72 THR N . 7220 1 713 . 1 1 74 74 LEU H H 1 8.535 0.05 . 1 . . . . 74 LEU HN . 7220 1 714 . 1 1 74 74 LEU HA H 1 3.700 0.05 . 1 . . . . 74 LEU HA . 7220 1 715 . 1 1 74 74 LEU HB2 H 1 0.510 0.05 . 2 . . . . 74 LEU HB1 . 7220 1 716 . 1 1 74 74 LEU HB3 H 1 0.909 0.05 . 2 . . . . 74 LEU HB2 . 7220 1 717 . 1 1 74 74 LEU HG H 1 1.300 0.05 . 1 . . . . 74 LEU HG . 7220 1 718 . 1 1 74 74 LEU HD11 H 1 0.422 0.05 . 2 . . . . 74 LEU HD1 . 7220 1 719 . 1 1 74 74 LEU HD12 H 1 0.422 0.05 . 2 . . . . 74 LEU HD1 . 7220 1 720 . 1 1 74 74 LEU HD13 H 1 0.422 0.05 . 2 . . . . 74 LEU HD1 . 7220 1 721 . 1 1 74 74 LEU C C 13 173.330 0.1 . 1 . . . . 74 LEU C . 7220 1 722 . 1 1 74 74 LEU CA C 13 55.980 0.1 . 1 . . . . 74 LEU CA . 7220 1 723 . 1 1 74 74 LEU CB C 13 42.960 0.1 . 1 . . . . 74 LEU CB . 7220 1 724 . 1 1 74 74 LEU CG C 13 26.360 0.1 . 1 . . . . 74 LEU CG . 7220 1 725 . 1 1 74 74 LEU CD1 C 13 23.460 0.1 . 1 . . . . 74 LEU CD1 . 7220 1 726 . 1 1 74 74 LEU N N 15 122.570 0.1 . 1 . . . . 74 LEU N . 7220 1 727 . 1 1 75 75 LEU H H 1 6.660 0.05 . 1 . . . . 75 LEU HN . 7220 1 728 . 1 1 75 75 LEU HA H 1 4.360 0.05 . 1 . . . . 75 LEU HA . 7220 1 729 . 1 1 75 75 LEU HB2 H 1 0.960 0.05 . 2 . . . . 75 LEU HB1 . 7220 1 730 . 1 1 75 75 LEU HB3 H 1 1.540 0.05 . 2 . . . . 75 LEU HB2 . 7220 1 731 . 1 1 75 75 LEU HG H 1 1.300 0.05 . 1 . . . . 75 LEU HG . 7220 1 732 . 1 1 75 75 LEU HD11 H 1 0.720 0.05 . 2 . . . . 75 LEU HD1 . 7220 1 733 . 1 1 75 75 LEU HD12 H 1 0.720 0.05 . 2 . . . . 75 LEU HD1 . 7220 1 734 . 1 1 75 75 LEU HD13 H 1 0.720 0.05 . 2 . . . . 75 LEU HD1 . 7220 1 735 . 1 1 75 75 LEU HD21 H 1 0.540 0.05 . 2 . . . . 75 LEU HD2 . 7220 1 736 . 1 1 75 75 LEU HD22 H 1 0.540 0.05 . 2 . . . . 75 LEU HD2 . 7220 1 737 . 1 1 75 75 LEU HD23 H 1 0.540 0.05 . 2 . . . . 75 LEU HD2 . 7220 1 738 . 1 1 75 75 LEU C C 13 171.500 0.1 . 1 . . . . 75 LEU C . 7220 1 739 . 1 1 75 75 LEU CA C 13 55.270 0.1 . 1 . . . . 75 LEU CA . 7220 1 740 . 1 1 75 75 LEU CB C 13 47.220 0.1 . 1 . . . . 75 LEU CB . 7220 1 741 . 1 1 75 75 LEU CG C 13 28.070 0.1 . 1 . . . . 75 LEU CG . 7220 1 742 . 1 1 75 75 LEU CD1 C 13 26.430 0.1 . 1 . . . . 75 LEU CD1 . 7220 1 743 . 1 1 75 75 LEU CD2 C 13 25.670 0.1 . 1 . . . . 75 LEU CD2 . 7220 1 744 . 1 1 75 75 LEU N N 15 112.070 0.1 . 1 . . . . 75 LEU N . 7220 1 745 . 1 1 76 76 ASN H H 1 9.180 0.05 . 1 . . . . 76 ASN HN . 7220 1 746 . 1 1 76 76 ASN HA H 1 4.415 0.05 . 1 . . . . 76 ASN HA . 7220 1 747 . 1 1 76 76 ASN HB2 H 1 2.907 0.05 . 2 . . . . 76 ASN HB1 . 7220 1 748 . 1 1 76 76 ASN HB3 H 1 3.100 0.05 . 2 . . . . 76 ASN HB2 . 7220 1 749 . 1 1 76 76 ASN HD21 H 1 7.160 0.05 . 2 . . . . 76 ASN HD21 . 7220 1 750 . 1 1 76 76 ASN HD22 H 1 6.330 0.05 . 2 . . . . 76 ASN HD22 . 7220 1 751 . 1 1 76 76 ASN C C 13 172.160 0.1 . 1 . . . . 76 ASN C . 7220 1 752 . 1 1 76 76 ASN CA C 13 59.440 0.1 . 1 . . . . 76 ASN CA . 7220 1 753 . 1 1 76 76 ASN CB C 13 41.560 0.1 . 1 . . . . 76 ASN CB . 7220 1 754 . 1 1 76 76 ASN N N 15 122.100 0.1 . 1 . . . . 76 ASN N . 7220 1 755 . 1 1 76 76 ASN ND2 N 15 106.350 0.1 . 1 . . . . 76 ASN ND2 . 7220 1 756 . 1 1 77 77 CYS H H 1 9.340 0.05 . 1 . . . . 77 CYS HN . 7220 1 757 . 1 1 77 77 CYS HA H 1 4.690 0.05 . 1 . . . . 77 CYS HA . 7220 1 758 . 1 1 77 77 CYS HB2 H 1 2.990 0.05 . 2 . . . . 77 CYS HB1 . 7220 1 759 . 1 1 77 77 CYS HB3 H 1 3.440 0.05 . 2 . . . . 77 CYS HB2 . 7220 1 760 . 1 1 77 77 CYS C C 13 169.650 0.1 . 1 . . . . 77 CYS C . 7220 1 761 . 1 1 77 77 CYS CA C 13 56.210 0.1 . 1 . . . . 77 CYS CA . 7220 1 762 . 1 1 77 77 CYS CB C 13 38.810 0.1 . 1 . . . . 77 CYS CB . 7220 1 763 . 1 1 77 77 CYS N N 15 122.040 0.1 . 1 . . . . 77 CYS N . 7220 1 764 . 1 1 78 78 ALA H H 1 7.017 0.05 . 1 . . . . 78 ALA HN . 7220 1 765 . 1 1 78 78 ALA HA H 1 5.080 0.05 . 1 . . . . 78 ALA HA . 7220 1 766 . 1 1 78 78 ALA HB1 H 1 1.440 0.05 . 1 . . . . 78 ALA HB . 7220 1 767 . 1 1 78 78 ALA HB2 H 1 1.440 0.05 . 1 . . . . 78 ALA HB . 7220 1 768 . 1 1 78 78 ALA HB3 H 1 1.440 0.05 . 1 . . . . 78 ALA HB . 7220 1 769 . 1 1 78 78 ALA C C 13 173.430 0.1 . 1 . . . . 78 ALA C . 7220 1 770 . 1 1 78 78 ALA CA C 13 51.120 0.1 . 1 . . . . 78 ALA CA . 7220 1 771 . 1 1 78 78 ALA CB C 13 19.400 0.1 . 1 . . . . 78 ALA CB . 7220 1 772 . 1 1 78 78 ALA N N 15 124.490 0.1 . 1 . . . . 78 ALA N . 7220 1 773 . 1 1 80 80 PRO C C 13 172.270 0.1 . 1 . . . . 80 PRO C . 7220 1 774 . 1 1 80 80 PRO CA C 13 63.680 0.1 . 1 . . . . 80 PRO CA . 7220 1 775 . 1 1 80 80 PRO CB C 13 32.900 0.1 . 1 . . . . 80 PRO CB . 7220 1 776 . 1 1 80 80 PRO CG C 13 27.220 0.1 . 1 . . . . 80 PRO CG . 7220 1 777 . 1 1 81 81 ASP H H 1 7.800 0.05 . 1 . . . . 81 ASP HN . 7220 1 778 . 1 1 81 81 ASP HA H 1 4.620 0.05 . 1 . . . . 81 ASP HA . 7220 1 779 . 1 1 81 81 ASP HB2 H 1 2.520 0.05 . 2 . . . . 81 ASP HB1 . 7220 1 780 . 1 1 81 81 ASP HB3 H 1 2.810 0.05 . 2 . . . . 81 ASP HB2 . 7220 1 781 . 1 1 81 81 ASP C C 13 173.130 0.1 . 1 . . . . 81 ASP C . 7220 1 782 . 1 1 81 81 ASP CA C 13 53.300 0.1 . 1 . . . . 81 ASP CA . 7220 1 783 . 1 1 81 81 ASP CB C 13 41.000 0.1 . 1 . . . . 81 ASP CB . 7220 1 784 . 1 1 81 81 ASP N N 15 109.020 0.1 . 1 . . . . 81 ASP N . 7220 1 785 . 1 1 82 82 GLN H H 1 7.820 0.05 . 1 . . . . 82 GLN HN . 7220 1 786 . 1 1 82 82 GLN HA H 1 4.630 0.05 . 1 . . . . 82 GLN HA . 7220 1 787 . 1 1 82 82 GLN HB2 H 1 2.000 0.05 . 2 . . . . 82 GLN HB1 . 7220 1 788 . 1 1 82 82 GLN HB3 H 1 1.780 0.05 . 2 . . . . 82 GLN HB2 . 7220 1 789 . 1 1 82 82 GLN HG2 H 1 2.190 0.05 . 2 . . . . 82 GLN HG1 . 7220 1 790 . 1 1 82 82 GLN HG3 H 1 2.300 0.05 . 2 . . . . 82 GLN HG2 . 7220 1 791 . 1 1 82 82 GLN C C 13 171.000 0.1 . 1 . . . . 82 GLN C . 7220 1 792 . 1 1 82 82 GLN CA C 13 54.980 0.1 . 1 . . . . 82 GLN CA . 7220 1 793 . 1 1 82 82 GLN CB C 13 33.300 0.1 . 1 . . . . 82 GLN CB . 7220 1 794 . 1 1 82 82 GLN CG C 13 33.640 0.1 . 1 . . . . 82 GLN CG . 7220 1 795 . 1 1 82 82 GLN N N 15 118.330 0.1 . 1 . . . . 82 GLN N . 7220 1 796 . 1 1 83 83 ASP H H 1 8.680 0.05 . 1 . . . . 83 ASP HN . 7220 1 797 . 1 1 83 83 ASP HA H 1 4.950 0.05 . 1 . . . . 83 ASP HA . 7220 1 798 . 1 1 83 83 ASP HB2 H 1 2.330 0.05 . 2 . . . . 83 ASP HB1 . 7220 1 799 . 1 1 83 83 ASP HB3 H 1 2.540 0.05 . 2 . . . . 83 ASP HB2 . 7220 1 800 . 1 1 83 83 ASP C C 13 173.470 0.1 . 1 . . . . 83 ASP C . 7220 1 801 . 1 1 83 83 ASP CA C 13 55.100 0.1 . 1 . . . . 83 ASP CA . 7220 1 802 . 1 1 83 83 ASP CB C 13 41.760 0.1 . 1 . . . . 83 ASP CB . 7220 1 803 . 1 1 83 83 ASP N N 15 122.540 0.1 . 1 . . . . 83 ASP N . 7220 1 804 . 1 1 84 84 ILE H H 1 8.030 0.05 . 1 . . . . 84 ILE HN . 7220 1 805 . 1 1 84 84 ILE HA H 1 4.420 0.05 . 1 . . . . 84 ILE HA . 7220 1 806 . 1 1 84 84 ILE HB H 1 2.030 0.05 . 1 . . . . 84 ILE HB . 7220 1 807 . 1 1 84 84 ILE HG12 H 1 1.370 0.05 . 1 . . . . 84 ILE HG11 . 7220 1 808 . 1 1 84 84 ILE HG13 H 1 1.770 0.05 . 1 . . . . 84 ILE HG12 . 7220 1 809 . 1 1 84 84 ILE HG21 H 1 1.010 0.05 . 1 . . . . 84 ILE HG2 . 7220 1 810 . 1 1 84 84 ILE HG22 H 1 1.010 0.05 . 1 . . . . 84 ILE HG2 . 7220 1 811 . 1 1 84 84 ILE HG23 H 1 1.010 0.05 . 1 . . . . 84 ILE HG2 . 7220 1 812 . 1 1 84 84 ILE HD11 H 1 1.150 0.05 . 1 . . . . 84 ILE HD1 . 7220 1 813 . 1 1 84 84 ILE HD12 H 1 1.150 0.05 . 1 . . . . 84 ILE HD1 . 7220 1 814 . 1 1 84 84 ILE HD13 H 1 1.150 0.05 . 1 . . . . 84 ILE HD1 . 7220 1 815 . 1 1 84 84 ILE C C 13 170.790 0.1 . 1 . . . . 84 ILE C . 7220 1 816 . 1 1 84 84 ILE CA C 13 60.900 0.1 . 1 . . . . 84 ILE CA . 7220 1 817 . 1 1 84 84 ILE CB C 13 40.120 0.1 . 1 . . . . 84 ILE CB . 7220 1 818 . 1 1 84 84 ILE CG1 C 13 27.900 0.1 . 2 . . . . 84 ILE CG1 . 7220 1 819 . 1 1 84 84 ILE CG2 C 13 18.100 0.1 . 1 . . . . 84 ILE CG2 . 7220 1 820 . 1 1 84 84 ILE CD1 C 13 14.160 0.1 . 1 . . . . 84 ILE CD1 . 7220 1 821 . 1 1 84 84 ILE N N 15 125.590 0.1 . 1 . . . . 84 ILE N . 7220 1 822 . 1 1 85 85 LYS H H 1 8.630 0.05 . 1 . . . . 85 LYS HN . 7220 1 823 . 1 1 85 85 LYS HA H 1 5.510 0.05 . 1 . . . . 85 LYS HA . 7220 1 824 . 1 1 85 85 LYS HB2 H 1 1.574 0.05 . 2 . . . . 85 LYS HB2 . 7220 1 825 . 1 1 85 85 LYS HG2 H 1 1.123 0.05 . 2 . . . . 85 LYS HG2 . 7220 1 826 . 1 1 85 85 LYS C C 13 172.160 0.1 . 1 . . . . 85 LYS C . 7220 1 827 . 1 1 85 85 LYS CA C 13 54.730 0.1 . 1 . . . . 85 LYS CA . 7220 1 828 . 1 1 85 85 LYS CB C 13 37.560 0.1 . 1 . . . . 85 LYS CB . 7220 1 829 . 1 1 85 85 LYS CG C 13 24.650 0.1 . 1 . . . . 85 LYS CG . 7220 1 830 . 1 1 85 85 LYS CD C 13 30.120 0.1 . 1 . . . . 85 LYS CD . 7220 1 831 . 1 1 85 85 LYS CE C 13 42.350 0.1 . 1 . . . . 85 LYS CE . 7220 1 832 . 1 1 85 85 LYS N N 15 125.750 0.1 . 1 . . . . 85 LYS N . 7220 1 833 . 1 1 86 86 PHE H H 1 9.030 0.05 . 1 . . . . 86 PHE HN . 7220 1 834 . 1 1 86 86 PHE HA H 1 4.560 0.05 . 1 . . . . 86 PHE HA . 7220 1 835 . 1 1 86 86 PHE HB2 H 1 2.910 0.05 . 2 . . . . 86 PHE HB1 . 7220 1 836 . 1 1 86 86 PHE HB3 H 1 2.610 0.05 . 2 . . . . 86 PHE HB2 . 7220 1 837 . 1 1 86 86 PHE C C 13 170.480 0.1 . 1 . . . . 86 PHE C . 7220 1 838 . 1 1 86 86 PHE CA C 13 58.400 0.1 . 1 . . . . 86 PHE CA . 7220 1 839 . 1 1 86 86 PHE CB C 13 44.180 0.1 . 1 . . . . 86 PHE CB . 7220 1 840 . 1 1 86 86 PHE N N 15 125.370 0.1 . 1 . . . . 86 PHE N . 7220 1 841 . 1 1 87 87 THR H H 1 7.604 0.05 . 1 . . . . 87 THR HN . 7220 1 842 . 1 1 87 87 THR HA H 1 4.907 0.05 . 1 . . . . 87 THR HA . 7220 1 843 . 1 1 87 87 THR HB H 1 3.400 0.05 . 1 . . . . 87 THR HB . 7220 1 844 . 1 1 87 87 THR HG21 H 1 0.907 0.05 . 1 . . . . 87 THR HG2 . 7220 1 845 . 1 1 87 87 THR HG22 H 1 0.907 0.05 . 1 . . . . 87 THR HG2 . 7220 1 846 . 1 1 87 87 THR HG23 H 1 0.907 0.05 . 1 . . . . 87 THR HG2 . 7220 1 847 . 1 1 87 87 THR C C 13 170.260 0.1 . 1 . . . . 87 THR C . 7220 1 848 . 1 1 87 87 THR CA C 13 61.890 0.1 . 1 . . . . 87 THR CA . 7220 1 849 . 1 1 87 87 THR CB C 13 70.560 0.1 . 1 . . . . 87 THR CB . 7220 1 850 . 1 1 87 87 THR CG2 C 13 22.150 0.1 . 1 . . . . 87 THR CG2 . 7220 1 851 . 1 1 87 87 THR N N 15 124.720 0.1 . 1 . . . . 87 THR N . 7220 1 852 . 1 1 88 88 ILE H H 1 9.513 0.05 . 1 . . . . 88 ILE HN . 7220 1 853 . 1 1 88 88 ILE HA H 1 3.720 0.05 . 1 . . . . 88 ILE HA . 7220 1 854 . 1 1 88 88 ILE HB H 1 1.424 0.05 . 1 . . . . 88 ILE HB . 7220 1 855 . 1 1 88 88 ILE HG12 H 1 0.840 0.05 . 1 . . . . 88 ILE HG11 . 7220 1 856 . 1 1 88 88 ILE HG13 H 1 1.760 0.05 . 1 . . . . 88 ILE HG12 . 7220 1 857 . 1 1 88 88 ILE HG21 H 1 -0.312 0.05 . 1 . . . . 88 ILE HG2 . 7220 1 858 . 1 1 88 88 ILE HG22 H 1 -0.312 0.05 . 1 . . . . 88 ILE HG2 . 7220 1 859 . 1 1 88 88 ILE HG23 H 1 -0.312 0.05 . 1 . . . . 88 ILE HG2 . 7220 1 860 . 1 1 88 88 ILE HD11 H 1 0.720 0.05 . 1 . . . . 88 ILE HD1 . 7220 1 861 . 1 1 88 88 ILE HD12 H 1 0.720 0.05 . 1 . . . . 88 ILE HD1 . 7220 1 862 . 1 1 88 88 ILE HD13 H 1 0.720 0.05 . 1 . . . . 88 ILE HD1 . 7220 1 863 . 1 1 88 88 ILE C C 13 171.410 0.1 . 1 . . . . 88 ILE C . 7220 1 864 . 1 1 88 88 ILE CA C 13 61.400 0.1 . 1 . . . . 88 ILE CA . 7220 1 865 . 1 1 88 88 ILE CB C 13 39.740 0.1 . 1 . . . . 88 ILE CB . 7220 1 866 . 1 1 88 88 ILE CG1 C 13 28.200 0.1 . 2 . . . . 88 ILE CG1 . 7220 1 867 . 1 1 88 88 ILE CG2 C 13 18.500 0.1 . 1 . . . . 88 ILE CG2 . 7220 1 868 . 1 1 88 88 ILE CD1 C 13 14.540 0.1 . 1 . . . . 88 ILE CD1 . 7220 1 869 . 1 1 88 88 ILE N N 15 128.650 0.1 . 1 . . . . 88 ILE N . 7220 1 870 . 1 1 89 89 LYS H H 1 8.140 0.05 . 1 . . . . 89 LYS HN . 7220 1 871 . 1 1 89 89 LYS HA H 1 4.540 0.05 . 1 . . . . 89 LYS HA . 7220 1 872 . 1 1 89 89 LYS HB2 H 1 1.490 0.05 . 2 . . . . 89 LYS HB2 . 7220 1 873 . 1 1 89 89 LYS C C 13 173.730 0.1 . 1 . . . . 89 LYS C . 7220 1 874 . 1 1 89 89 LYS CA C 13 55.000 0.1 . 1 . . . . 89 LYS CA . 7220 1 875 . 1 1 89 89 LYS CB C 13 33.500 0.1 . 1 . . . . 89 LYS CB . 7220 1 876 . 1 1 89 89 LYS CG C 13 26.150 0.1 . 1 . . . . 89 LYS CG . 7220 1 877 . 1 1 89 89 LYS CD C 13 30.000 0.1 . 1 . . . . 89 LYS CD . 7220 1 878 . 1 1 89 89 LYS CE C 13 42.570 0.1 . 1 . . . . 89 LYS CE . 7220 1 879 . 1 1 89 89 LYS N N 15 126.390 0.1 . 1 . . . . 89 LYS N . 7220 1 880 . 1 1 90 90 PHE H H 1 8.370 0.05 . 1 . . . . 90 PHE HN . 7220 1 881 . 1 1 90 90 PHE HA H 1 3.940 0.05 . 1 . . . . 90 PHE HA . 7220 1 882 . 1 1 90 90 PHE HB2 H 1 2.190 0.05 . 2 . . . . 90 PHE HB1 . 7220 1 883 . 1 1 90 90 PHE HB3 H 1 3.040 0.05 . 2 . . . . 90 PHE HB2 . 7220 1 884 . 1 1 90 90 PHE C C 13 171.280 0.1 . 1 . . . . 90 PHE C . 7220 1 885 . 1 1 90 90 PHE CA C 13 58.850 0.1 . 1 . . . . 90 PHE CA . 7220 1 886 . 1 1 90 90 PHE CB C 13 37.240 0.1 . 1 . . . . 90 PHE CB . 7220 1 887 . 1 1 90 90 PHE N N 15 124.970 0.1 . 1 . . . . 90 PHE N . 7220 1 888 . 1 1 91 91 GLN H H 1 7.650 0.05 . 1 . . . . 91 GLN HN . 7220 1 889 . 1 1 91 91 GLN HA H 1 4.870 0.05 . 1 . . . . 91 GLN HA . 7220 1 890 . 1 1 91 91 GLN HB2 H 1 2.100 0.05 . 2 . . . . 91 GLN HB1 . 7220 1 891 . 1 1 91 91 GLN HB3 H 1 2.050 0.05 . 2 . . . . 91 GLN HB2 . 7220 1 892 . 1 1 91 91 GLN HG2 H 1 2.340 0.05 . 2 . . . . 91 GLN HG2 . 7220 1 893 . 1 1 91 91 GLN HE21 H 1 7.870 0.05 . 2 . . . . 91 GLN HE21 . 7220 1 894 . 1 1 91 91 GLN HE22 H 1 6.990 0.05 . 2 . . . . 91 GLN HE22 . 7220 1 895 . 1 1 91 91 GLN C C 13 172.000 0.1 . 1 . . . . 91 GLN C . 7220 1 896 . 1 1 91 91 GLN CA C 13 53.930 0.1 . 1 . . . . 91 GLN CA . 7220 1 897 . 1 1 91 91 GLN CB C 13 32.070 0.1 . 1 . . . . 91 GLN CB . 7220 1 898 . 1 1 91 91 GLN CG C 13 33.340 0.1 . 1 . . . . 91 GLN CG . 7220 1 899 . 1 1 91 91 GLN N N 15 123.610 0.1 . 1 . . . . 91 GLN N . 7220 1 900 . 1 1 91 91 GLN NE2 N 15 110.990 0.1 . 1 . . . . 91 GLN NE2 . 7220 1 901 . 1 1 92 92 GLU H H 1 8.930 0.05 . 1 . . . . 92 GLU HN . 7220 1 902 . 1 1 92 92 GLU HA H 1 4.860 0.05 . 1 . . . . 92 GLU HA . 7220 1 903 . 1 1 92 92 GLU HB2 H 1 1.915 0.05 . 2 . . . . 92 GLU HB2 . 7220 1 904 . 1 1 92 92 GLU HG2 H 1 2.280 0.05 . 2 . . . . 92 GLU HG2 . 7220 1 905 . 1 1 92 92 GLU C C 13 173.090 0.1 . 1 . . . . 92 GLU C . 7220 1 906 . 1 1 92 92 GLU CA C 13 57.410 0.1 . 1 . . . . 92 GLU CA . 7220 1 907 . 1 1 92 92 GLU CB C 13 32.060 0.1 . 1 . . . . 92 GLU CB . 7220 1 908 . 1 1 92 92 GLU CG C 13 37.990 0.1 . 1 . . . . 92 GLU CG . 7220 1 909 . 1 1 92 92 GLU N N 15 121.470 0.1 . 1 . . . . 92 GLU N . 7220 1 910 . 1 1 93 93 PHE H H 1 7.830 0.05 . 1 . . . . 93 PHE HN . 7220 1 911 . 1 1 93 93 PHE HA H 1 4.710 0.05 . 1 . . . . 93 PHE HA . 7220 1 912 . 1 1 93 93 PHE HB2 H 1 2.970 0.05 . 2 . . . . 93 PHE HB1 . 7220 1 913 . 1 1 93 93 PHE HB3 H 1 3.000 0.05 . 2 . . . . 93 PHE HB2 . 7220 1 914 . 1 1 93 93 PHE C C 13 171.940 0.1 . 1 . . . . 93 PHE C . 7220 1 915 . 1 1 93 93 PHE CA C 13 57.500 0.1 . 1 . . . . 93 PHE CA . 7220 1 916 . 1 1 93 93 PHE CB C 13 40.700 0.1 . 1 . . . . 93 PHE CB . 7220 1 917 . 1 1 93 93 PHE N N 15 116.270 0.1 . 1 . . . . 93 PHE N . 7220 1 918 . 1 1 94 94 SER H H 1 8.840 0.05 . 1 . . . . 94 SER HN . 7220 1 919 . 1 1 94 94 SER HA H 1 4.700 0.05 . 1 . . . . 94 SER HA . 7220 1 920 . 1 1 94 94 SER HB2 H 1 3.640 0.05 . 2 . . . . 94 SER HB2 . 7220 1 921 . 1 1 94 94 SER C C 13 170.330 0.1 . 1 . . . . 94 SER C . 7220 1 922 . 1 1 94 94 SER CA C 13 55.090 0.1 . 1 . . . . 94 SER CA . 7220 1 923 . 1 1 94 94 SER CB C 13 64.570 0.1 . 1 . . . . 94 SER CB . 7220 1 924 . 1 1 94 94 SER N N 15 120.220 0.1 . 1 . . . . 94 SER N . 7220 1 925 . 1 1 95 95 PRO HA H 1 4.320 0.05 . 1 . . . . 95 PRO HA . 7220 1 926 . 1 1 95 95 PRO HB2 H 1 2.240 0.05 . 2 . . . . 95 PRO HB2 . 7220 1 927 . 1 1 95 95 PRO HG2 H 1 1.930 0.05 . 2 . . . . 95 PRO HG2 . 7220 1 928 . 1 1 95 95 PRO C C 13 173.380 0.1 . 1 . . . . 95 PRO C . 7220 1 929 . 1 1 95 95 PRO CA C 13 64.120 0.1 . 1 . . . . 95 PRO CA . 7220 1 930 . 1 1 95 95 PRO CB C 13 32.690 0.1 . 1 . . . . 95 PRO CB . 7220 1 931 . 1 1 95 95 PRO CG C 13 27.540 0.1 . 1 . . . . 95 PRO CG . 7220 1 932 . 1 1 95 95 PRO CD C 13 51.250 0.1 . 1 . . . . 95 PRO CD . 7220 1 933 . 1 1 96 96 ASN H H 1 7.830 0.05 . 1 . . . . 96 ASN HN . 7220 1 934 . 1 1 96 96 ASN HA H 1 4.610 0.05 . 1 . . . . 96 ASN HA . 7220 1 935 . 1 1 96 96 ASN HB2 H 1 2.440 0.05 . 2 . . . . 96 ASN HB1 . 7220 1 936 . 1 1 96 96 ASN HB3 H 1 2.530 0.05 . 2 . . . . 96 ASN HB2 . 7220 1 937 . 1 1 96 96 ASN HD21 H 1 7.540 0.05 . 2 . . . . 96 ASN HD21 . 7220 1 938 . 1 1 96 96 ASN HD22 H 1 6.900 0.05 . 2 . . . . 96 ASN HD22 . 7220 1 939 . 1 1 96 96 ASN C C 13 172.420 0.1 . 1 . . . . 96 ASN C . 7220 1 940 . 1 1 96 96 ASN CA C 13 52.940 0.1 . 1 . . . . 96 ASN CA . 7220 1 941 . 1 1 96 96 ASN CB C 13 39.970 0.1 . 1 . . . . 96 ASN CB . 7220 1 942 . 1 1 96 96 ASN N N 15 115.470 0.1 . 1 . . . . 96 ASN N . 7220 1 943 . 1 1 96 96 ASN ND2 N 15 113.800 0.1 . 1 . . . . 96 ASN ND2 . 7220 1 944 . 1 1 97 97 LEU H H 1 8.080 0.05 . 1 . . . . 97 LEU HN . 7220 1 945 . 1 1 97 97 LEU HA H 1 4.030 0.05 . 1 . . . . 97 LEU HA . 7220 1 946 . 1 1 97 97 LEU HB2 H 1 1.250 0.05 . 2 . . . . 97 LEU HB1 . 7220 1 947 . 1 1 97 97 LEU HB3 H 1 1.330 0.05 . 2 . . . . 97 LEU HB2 . 7220 1 948 . 1 1 97 97 LEU HG H 1 1.270 0.05 . 1 . . . . 97 LEU HG . 7220 1 949 . 1 1 97 97 LEU HD11 H 1 0.714 0.05 . 2 . . . . 97 LEU HD1 . 7220 1 950 . 1 1 97 97 LEU HD12 H 1 0.714 0.05 . 2 . . . . 97 LEU HD1 . 7220 1 951 . 1 1 97 97 LEU HD13 H 1 0.714 0.05 . 2 . . . . 97 LEU HD1 . 7220 1 952 . 1 1 97 97 LEU HD21 H 1 0.736 0.05 . 2 . . . . 97 LEU HD2 . 7220 1 953 . 1 1 97 97 LEU HD22 H 1 0.736 0.05 . 2 . . . . 97 LEU HD2 . 7220 1 954 . 1 1 97 97 LEU HD23 H 1 0.736 0.05 . 2 . . . . 97 LEU HD2 . 7220 1 955 . 1 1 97 97 LEU C C 13 174.140 0.1 . 1 . . . . 97 LEU C . 7220 1 956 . 1 1 97 97 LEU CA C 13 56.670 0.1 . 1 . . . . 97 LEU CA . 7220 1 957 . 1 1 97 97 LEU CB C 13 42.180 0.1 . 1 . . . . 97 LEU CB . 7220 1 958 . 1 1 97 97 LEU CG C 13 26.950 0.1 . 1 . . . . 97 LEU CG . 7220 1 959 . 1 1 97 97 LEU CD1 C 13 24.340 0.1 . 1 . . . . 97 LEU CD1 . 7220 1 960 . 1 1 97 97 LEU CD2 C 13 24.600 0.1 . 1 . . . . 97 LEU CD2 . 7220 1 961 . 1 1 97 97 LEU N N 15 122.050 0.1 . 1 . . . . 97 LEU N . 7220 1 962 . 1 1 98 98 TRP H H 1 7.850 0.05 . 1 . . . . 98 TRP HN . 7220 1 963 . 1 1 98 98 TRP HA H 1 4.670 0.05 . 1 . . . . 98 TRP HA . 7220 1 964 . 1 1 98 98 TRP HB2 H 1 3.320 0.05 . 2 . . . . 98 TRP HB2 . 7220 1 965 . 1 1 98 98 TRP C C 13 173.610 0.1 . 1 . . . . 98 TRP C . 7220 1 966 . 1 1 98 98 TRP CA C 13 57.680 0.1 . 1 . . . . 98 TRP CA . 7220 1 967 . 1 1 98 98 TRP CB C 13 29.070 0.1 . 1 . . . . 98 TRP CB . 7220 1 968 . 1 1 98 98 TRP N N 15 118.630 0.1 . 1 . . . . 98 TRP N . 7220 1 969 . 1 1 99 99 GLY H H 1 7.710 0.05 . 1 . . . . 99 GLY HN . 7220 1 970 . 1 1 99 99 GLY HA2 H 1 3.920 0.05 . 2 . . . . 99 GLY HA2 . 7220 1 971 . 1 1 99 99 GLY C C 13 170.480 0.1 . 1 . . . . 99 GLY C . 7220 1 972 . 1 1 99 99 GLY CA C 13 45.340 0.1 . 1 . . . . 99 GLY CA . 7220 1 973 . 1 1 99 99 GLY N N 15 109.620 0.1 . 1 . . . . 99 GLY N . 7220 1 974 . 1 1 100 100 LEU H H 1 8.040 0.05 . 1 . . . . 100 LEU HN . 7220 1 975 . 1 1 100 100 LEU HA H 1 4.210 0.05 . 1 . . . . 100 LEU HA . 7220 1 976 . 1 1 100 100 LEU HB2 H 1 1.750 0.05 . 2 . . . . 100 LEU HB1 . 7220 1 977 . 1 1 100 100 LEU HB3 H 1 1.190 0.05 . 2 . . . . 100 LEU HB2 . 7220 1 978 . 1 1 100 100 LEU HG H 1 1.770 0.05 . 1 . . . . 100 LEU HG . 7220 1 979 . 1 1 100 100 LEU HD11 H 1 1.050 0.05 . 2 . . . . 100 LEU HD1 . 7220 1 980 . 1 1 100 100 LEU HD12 H 1 1.050 0.05 . 2 . . . . 100 LEU HD1 . 7220 1 981 . 1 1 100 100 LEU HD13 H 1 1.050 0.05 . 2 . . . . 100 LEU HD1 . 7220 1 982 . 1 1 100 100 LEU HD21 H 1 0.866 0.05 . 2 . . . . 100 LEU HD2 . 7220 1 983 . 1 1 100 100 LEU HD22 H 1 0.866 0.05 . 2 . . . . 100 LEU HD2 . 7220 1 984 . 1 1 100 100 LEU HD23 H 1 0.866 0.05 . 2 . . . . 100 LEU HD2 . 7220 1 985 . 1 1 100 100 LEU C C 13 172.140 0.1 . 1 . . . . 100 LEU C . 7220 1 986 . 1 1 100 100 LEU CA C 13 55.180 0.1 . 1 . . . . 100 LEU CA . 7220 1 987 . 1 1 100 100 LEU CB C 13 43.200 0.1 . 1 . . . . 100 LEU CB . 7220 1 988 . 1 1 100 100 LEU CG C 13 27.520 0.1 . 1 . . . . 100 LEU CG . 7220 1 989 . 1 1 100 100 LEU CD1 C 13 26.690 0.1 . 1 . . . . 100 LEU CD1 . 7220 1 990 . 1 1 100 100 LEU CD2 C 13 23.790 0.1 . 1 . . . . 100 LEU CD2 . 7220 1 991 . 1 1 100 100 LEU N N 15 120.600 0.1 . 1 . . . . 100 LEU N . 7220 1 992 . 1 1 101 101 GLU H H 1 7.740 0.05 . 1 . . . . 101 GLU HN . 7220 1 993 . 1 1 101 101 GLU HA H 1 4.510 0.05 . 1 . . . . 101 GLU HA . 7220 1 994 . 1 1 101 101 GLU HB2 H 1 1.790 0.05 . 2 . . . . 101 GLU HB2 . 7220 1 995 . 1 1 101 101 GLU HG2 H 1 1.930 0.05 . 2 . . . . 101 GLU HG1 . 7220 1 996 . 1 1 101 101 GLU HG3 H 1 2.110 0.05 . 2 . . . . 101 GLU HG2 . 7220 1 997 . 1 1 101 101 GLU C C 13 172.140 0.1 . 1 . . . . 101 GLU C . 7220 1 998 . 1 1 101 101 GLU CA C 13 55.270 0.1 . 1 . . . . 101 GLU CA . 7220 1 999 . 1 1 101 101 GLU CB C 13 32.740 0.1 . 1 . . . . 101 GLU CB . 7220 1 1000 . 1 1 101 101 GLU CG C 13 36.800 0.1 . 1 . . . . 101 GLU CG . 7220 1 1001 . 1 1 101 101 GLU N N 15 119.990 0.1 . 1 . . . . 101 GLU N . 7220 1 1002 . 1 1 102 102 PHE H H 1 8.550 0.05 . 1 . . . . 102 PHE HN . 7220 1 1003 . 1 1 102 102 PHE HA H 1 4.560 0.05 . 1 . . . . 102 PHE HA . 7220 1 1004 . 1 1 102 102 PHE HB2 H 1 2.630 0.05 . 2 . . . . 102 PHE HB1 . 7220 1 1005 . 1 1 102 102 PHE HB3 H 1 2.350 0.05 . 2 . . . . 102 PHE HB2 . 7220 1 1006 . 1 1 102 102 PHE C C 13 170.820 0.1 . 1 . . . . 102 PHE C . 7220 1 1007 . 1 1 102 102 PHE CA C 13 57.500 0.1 . 1 . . . . 102 PHE CA . 7220 1 1008 . 1 1 102 102 PHE CB C 13 42.860 0.1 . 1 . . . . 102 PHE CB . 7220 1 1009 . 1 1 102 102 PHE N N 15 120.550 0.1 . 1 . . . . 102 PHE N . 7220 1 1010 . 1 1 103 103 GLN H H 1 8.310 0.05 . 1 . . . . 103 GLN HN . 7220 1 1011 . 1 1 103 103 GLN HA H 1 4.725 0.05 . 1 . . . . 103 GLN HA . 7220 1 1012 . 1 1 103 103 GLN HB2 H 1 1.890 0.05 . 2 . . . . 103 GLN HB1 . 7220 1 1013 . 1 1 103 103 GLN HB3 H 1 2.120 0.05 . 2 . . . . 103 GLN HB2 . 7220 1 1014 . 1 1 103 103 GLN HG2 H 1 2.470 0.05 . 2 . . . . 103 GLN HG1 . 7220 1 1015 . 1 1 103 103 GLN HG3 H 1 2.340 0.05 . 2 . . . . 103 GLN HG2 . 7220 1 1016 . 1 1 103 103 GLN HE21 H 1 7.650 0.05 . 2 . . . . 103 GLN HE21 . 7220 1 1017 . 1 1 103 103 GLN HE22 H 1 6.940 0.05 . 2 . . . . 103 GLN HE22 . 7220 1 1018 . 1 1 103 103 GLN C C 13 171.900 0.1 . 1 . . . . 103 GLN C . 7220 1 1019 . 1 1 103 103 GLN CA C 13 53.900 0.1 . 1 . . . . 103 GLN CA . 7220 1 1020 . 1 1 103 103 GLN CB C 13 32.290 0.1 . 1 . . . . 103 GLN CB . 7220 1 1021 . 1 1 103 103 GLN CG C 13 34.840 0.1 . 1 . . . . 103 GLN CG . 7220 1 1022 . 1 1 103 103 GLN N N 15 118.180 0.1 . 1 . . . . 103 GLN N . 7220 1 1023 . 1 1 103 103 GLN NE2 N 15 112.860 0.1 . 1 . . . . 103 GLN NE2 . 7220 1 1024 . 1 1 104 104 LYS H H 1 8.620 0.05 . 1 . . . . 104 LYS HN . 7220 1 1025 . 1 1 104 104 LYS HA H 1 3.750 0.05 . 1 . . . . 104 LYS HA . 7220 1 1026 . 1 1 104 104 LYS HB2 H 1 1.815 0.05 . 2 . . . . 104 LYS HB2 . 7220 1 1027 . 1 1 104 104 LYS HG2 H 1 1.450 0.05 . 2 . . . . 104 LYS HG1 . 7220 1 1028 . 1 1 104 104 LYS HG3 H 1 1.570 0.05 . 2 . . . . 104 LYS HG2 . 7220 1 1029 . 1 1 104 104 LYS HD2 H 1 1.790 0.05 . 2 . . . . 104 LYS HD2 . 7220 1 1030 . 1 1 104 104 LYS HE2 H 1 3.060 0.05 . 2 . . . . 104 LYS HE2 . 7220 1 1031 . 1 1 104 104 LYS C C 13 173.900 0.1 . 1 . . . . 104 LYS C . 7220 1 1032 . 1 1 104 104 LYS CA C 13 58.490 0.1 . 1 . . . . 104 LYS CA . 7220 1 1033 . 1 1 104 104 LYS CB C 13 33.750 0.1 . 1 . . . . 104 LYS CB . 7220 1 1034 . 1 1 104 104 LYS CG C 13 26.500 0.1 . 1 . . . . 104 LYS CG . 7220 1 1035 . 1 1 104 104 LYS CD C 13 30.050 0.1 . 1 . . . . 104 LYS CD . 7220 1 1036 . 1 1 104 104 LYS CE C 13 42.070 0.1 . 1 . . . . 104 LYS CE . 7220 1 1037 . 1 1 104 104 LYS N N 15 119.150 0.1 . 1 . . . . 104 LYS N . 7220 1 1038 . 1 1 105 105 ASN H H 1 8.540 0.05 . 1 . . . . 105 ASN HN . 7220 1 1039 . 1 1 105 105 ASN HA H 1 4.210 0.05 . 1 . . . . 105 ASN HA . 7220 1 1040 . 1 1 105 105 ASN HB2 H 1 2.977 0.05 . 2 . . . . 105 ASN HB1 . 7220 1 1041 . 1 1 105 105 ASN HB3 H 1 3.130 0.05 . 2 . . . . 105 ASN HB2 . 7220 1 1042 . 1 1 105 105 ASN HD21 H 1 7.540 0.05 . 2 . . . . 105 ASN HD21 . 7220 1 1043 . 1 1 105 105 ASN HD22 H 1 6.860 0.05 . 2 . . . . 105 ASN HD22 . 7220 1 1044 . 1 1 105 105 ASN C C 13 170.540 0.1 . 1 . . . . 105 ASN C . 7220 1 1045 . 1 1 105 105 ASN CA C 13 55.460 0.1 . 1 . . . . 105 ASN CA . 7220 1 1046 . 1 1 105 105 ASN CB C 13 37.200 0.1 . 1 . . . . 105 ASN CB . 7220 1 1047 . 1 1 105 105 ASN N N 15 114.710 0.1 . 1 . . . . 105 ASN N . 7220 1 1048 . 1 1 105 105 ASN ND2 N 15 111.610 0.1 . 1 . . . . 105 ASN ND2 . 7220 1 1049 . 1 1 106 106 LYS H H 1 7.560 0.05 . 1 . . . . 106 LYS HN . 7220 1 1050 . 1 1 106 106 LYS HA H 1 4.550 0.05 . 1 . . . . 106 LYS HA . 7220 1 1051 . 1 1 106 106 LYS HB2 H 1 1.720 0.05 . 2 . . . . 106 LYS HB1 . 7220 1 1052 . 1 1 106 106 LYS HB3 H 1 1.950 0.05 . 2 . . . . 106 LYS HB2 . 7220 1 1053 . 1 1 106 106 LYS HG2 H 1 1.150 0.05 . 2 . . . . 106 LYS HG1 . 7220 1 1054 . 1 1 106 106 LYS HG3 H 1 1.390 0.05 . 2 . . . . 106 LYS HG2 . 7220 1 1055 . 1 1 106 106 LYS HD2 H 1 1.610 0.05 . 2 . . . . 106 LYS HD2 . 7220 1 1056 . 1 1 106 106 LYS HE2 H 1 2.920 0.05 . 2 . . . . 106 LYS HE2 . 7220 1 1057 . 1 1 106 106 LYS C C 13 170.330 0.1 . 1 . . . . 106 LYS C . 7220 1 1058 . 1 1 106 106 LYS CA C 13 55.630 0.1 . 1 . . . . 106 LYS CA . 7220 1 1059 . 1 1 106 106 LYS CB C 13 35.990 0.1 . 1 . . . . 106 LYS CB . 7220 1 1060 . 1 1 106 106 LYS CG C 13 26.470 0.1 . 1 . . . . 106 LYS CG . 7220 1 1061 . 1 1 106 106 LYS CD C 13 29.690 0.1 . 1 . . . . 106 LYS CD . 7220 1 1062 . 1 1 106 106 LYS CE C 13 43.100 0.1 . 1 . . . . 106 LYS CE . 7220 1 1063 . 1 1 106 106 LYS N N 15 119.120 0.1 . 1 . . . . 106 LYS N . 7220 1 1064 . 1 1 107 107 ASP H H 1 7.740 0.05 . 1 . . . . 107 ASP HN . 7220 1 1065 . 1 1 107 107 ASP HA H 1 5.560 0.05 . 1 . . . . 107 ASP HA . 7220 1 1066 . 1 1 107 107 ASP HB2 H 1 2.120 0.05 . 2 . . . . 107 ASP HB1 . 7220 1 1067 . 1 1 107 107 ASP HB3 H 1 2.500 0.05 . 2 . . . . 107 ASP HB2 . 7220 1 1068 . 1 1 107 107 ASP C C 13 172.760 0.1 . 1 . . . . 107 ASP C . 7220 1 1069 . 1 1 107 107 ASP CA C 13 52.700 0.1 . 1 . . . . 107 ASP CA . 7220 1 1070 . 1 1 107 107 ASP CB C 13 42.570 0.1 . 1 . . . . 107 ASP CB . 7220 1 1071 . 1 1 107 107 ASP N N 15 121.240 0.1 . 1 . . . . 107 ASP N . 7220 1 1072 . 1 1 108 108 TYR H H 1 8.680 0.05 . 1 . . . . 108 TYR HN . 7220 1 1073 . 1 1 108 108 TYR HA H 1 4.850 0.05 . 1 . . . . 108 TYR HA . 7220 1 1074 . 1 1 108 108 TYR HB2 H 1 2.770 0.05 . 2 . . . . 108 TYR HB1 . 7220 1 1075 . 1 1 108 108 TYR HB3 H 1 3.360 0.05 . 2 . . . . 108 TYR HB2 . 7220 1 1076 . 1 1 108 108 TYR C C 13 171.040 0.1 . 1 . . . . 108 TYR C . 7220 1 1077 . 1 1 108 108 TYR CA C 13 57.450 0.1 . 1 . . . . 108 TYR CA . 7220 1 1078 . 1 1 108 108 TYR CB C 13 42.750 0.1 . 1 . . . . 108 TYR CB . 7220 1 1079 . 1 1 108 108 TYR N N 15 119.620 0.1 . 1 . . . . 108 TYR N . 7220 1 1080 . 1 1 109 109 TYR H H 1 8.180 0.05 . 1 . . . . 109 TYR HN . 7220 1 1081 . 1 1 109 109 TYR HA H 1 4.520 0.05 . 1 . . . . 109 TYR HA . 7220 1 1082 . 1 1 109 109 TYR HB2 H 1 2.520 0.05 . 2 . . . . 109 TYR HB1 . 7220 1 1083 . 1 1 109 109 TYR HB3 H 1 2.650 0.05 . 2 . . . . 109 TYR HB2 . 7220 1 1084 . 1 1 109 109 TYR C C 13 172.380 0.1 . 1 . . . . 109 TYR C . 7220 1 1085 . 1 1 109 109 TYR CA C 13 57.590 0.1 . 1 . . . . 109 TYR CA . 7220 1 1086 . 1 1 109 109 TYR CB C 13 43.240 0.1 . 1 . . . . 109 TYR CB . 7220 1 1087 . 1 1 109 109 TYR N N 15 118.920 0.1 . 1 . . . . 109 TYR N . 7220 1 1088 . 1 1 110 110 ILE H H 1 9.170 0.05 . 1 . . . . 110 ILE HN . 7220 1 1089 . 1 1 110 110 ILE HA H 1 5.450 0.05 . 1 . . . . 110 ILE HA . 7220 1 1090 . 1 1 110 110 ILE HB H 1 1.676 0.05 . 1 . . . . 110 ILE HB . 7220 1 1091 . 1 1 110 110 ILE HG12 H 1 1.680 0.05 . 1 . . . . 110 ILE HG11 . 7220 1 1092 . 1 1 110 110 ILE HG13 H 1 1.000 0.05 . 1 . . . . 110 ILE HG12 . 7220 1 1093 . 1 1 110 110 ILE HG21 H 1 0.580 0.05 . 1 . . . . 110 ILE HG2 . 7220 1 1094 . 1 1 110 110 ILE HG22 H 1 0.580 0.05 . 1 . . . . 110 ILE HG2 . 7220 1 1095 . 1 1 110 110 ILE HG23 H 1 0.580 0.05 . 1 . . . . 110 ILE HG2 . 7220 1 1096 . 1 1 110 110 ILE HD11 H 1 0.736 0.05 . 1 . . . . 110 ILE HD1 . 7220 1 1097 . 1 1 110 110 ILE HD12 H 1 0.736 0.05 . 1 . . . . 110 ILE HD1 . 7220 1 1098 . 1 1 110 110 ILE HD13 H 1 0.736 0.05 . 1 . . . . 110 ILE HD1 . 7220 1 1099 . 1 1 110 110 ILE C C 13 173.610 0.1 . 1 . . . . 110 ILE C . 7220 1 1100 . 1 1 110 110 ILE CA C 13 59.800 0.1 . 1 . . . . 110 ILE CA . 7220 1 1101 . 1 1 110 110 ILE CB C 13 41.920 0.1 . 1 . . . . 110 ILE CB . 7220 1 1102 . 1 1 110 110 ILE CG1 C 13 29.000 0.1 . 2 . . . . 110 ILE CG1 . 7220 1 1103 . 1 1 110 110 ILE CG2 C 13 19.200 0.1 . 1 . . . . 110 ILE CG2 . 7220 1 1104 . 1 1 110 110 ILE CD1 C 13 14.300 0.1 . 1 . . . . 110 ILE CD1 . 7220 1 1105 . 1 1 110 110 ILE N N 15 122.100 0.1 . 1 . . . . 110 ILE N . 7220 1 1106 . 1 1 111 111 ILE H H 1 8.980 0.05 . 1 . . . . 111 ILE HN . 7220 1 1107 . 1 1 111 111 ILE HA H 1 5.580 0.05 . 1 . . . . 111 ILE HA . 7220 1 1108 . 1 1 111 111 ILE HB H 1 1.801 0.05 . 1 . . . . 111 ILE HB . 7220 1 1109 . 1 1 111 111 ILE HG21 H 1 1.120 0.05 . 1 . . . . 111 ILE HG2 . 7220 1 1110 . 1 1 111 111 ILE HG22 H 1 1.120 0.05 . 1 . . . . 111 ILE HG2 . 7220 1 1111 . 1 1 111 111 ILE HG23 H 1 1.120 0.05 . 1 . . . . 111 ILE HG2 . 7220 1 1112 . 1 1 111 111 ILE HD11 H 1 0.758 0.05 . 1 . . . . 111 ILE HD1 . 7220 1 1113 . 1 1 111 111 ILE HD12 H 1 0.758 0.05 . 1 . . . . 111 ILE HD1 . 7220 1 1114 . 1 1 111 111 ILE HD13 H 1 0.758 0.05 . 1 . . . . 111 ILE HD1 . 7220 1 1115 . 1 1 111 111 ILE C C 13 171.340 0.1 . 1 . . . . 111 ILE C . 7220 1 1116 . 1 1 111 111 ILE CA C 13 59.900 0.1 . 1 . . . . 111 ILE CA . 7220 1 1117 . 1 1 111 111 ILE CB C 13 45.430 0.1 . 1 . . . . 111 ILE CB . 7220 1 1118 . 1 1 111 111 ILE CG2 C 13 17.650 0.1 . 1 . . . . 111 ILE CG2 . 7220 1 1119 . 1 1 111 111 ILE CD1 C 13 15.200 0.1 . 1 . . . . 111 ILE CD1 . 7220 1 1120 . 1 1 111 111 ILE N N 15 115.840 0.1 . 1 . . . . 111 ILE N . 7220 1 1121 . 1 1 112 112 SER H H 1 6.780 0.05 . 1 . . . . 112 SER HN . 7220 1 1122 . 1 1 112 112 SER HA H 1 5.090 0.05 . 1 . . . . 112 SER HA . 7220 1 1123 . 1 1 112 112 SER HB2 H 1 3.850 0.05 . 2 . . . . 112 SER HB2 . 7220 1 1124 . 1 1 112 112 SER C C 13 171.040 0.1 . 1 . . . . 112 SER C . 7220 1 1125 . 1 1 112 112 SER CA C 13 58.670 0.1 . 1 . . . . 112 SER CA . 7220 1 1126 . 1 1 112 112 SER CB C 13 67.870 0.1 . 1 . . . . 112 SER CB . 7220 1 1127 . 1 1 112 112 SER N N 15 109.190 0.1 . 1 . . . . 112 SER N . 7220 1 1128 . 1 1 113 113 THR H H 1 9.940 0.05 . 1 . . . . 113 THR HN . 7220 1 1129 . 1 1 113 113 THR HA H 1 4.910 0.05 . 1 . . . . 113 THR HA . 7220 1 1130 . 1 1 113 113 THR HB H 1 3.910 0.05 . 1 . . . . 113 THR HB . 7220 1 1131 . 1 1 113 113 THR HG21 H 1 0.810 0.05 . 1 . . . . 113 THR HG2 . 7220 1 1132 . 1 1 113 113 THR HG22 H 1 0.810 0.05 . 1 . . . . 113 THR HG2 . 7220 1 1133 . 1 1 113 113 THR HG23 H 1 0.810 0.05 . 1 . . . . 113 THR HG2 . 7220 1 1134 . 1 1 113 113 THR C C 13 172.190 0.1 . 1 . . . . 113 THR C . 7220 1 1135 . 1 1 113 113 THR CA C 13 62.360 0.1 . 1 . . . . 113 THR CA . 7220 1 1136 . 1 1 113 113 THR CB C 13 67.700 0.1 . 1 . . . . 113 THR CB . 7220 1 1137 . 1 1 113 113 THR CG2 C 13 22.500 0.1 . 1 . . . . 113 THR CG2 . 7220 1 1138 . 1 1 113 113 THR N N 15 119.450 0.1 . 1 . . . . 113 THR N . 7220 1 1139 . 1 1 114 114 SER H H 1 8.580 0.05 . 1 . . . . 114 SER HN . 7220 1 1140 . 1 1 114 114 SER HA H 1 4.070 0.05 . 1 . . . . 114 SER HA . 7220 1 1141 . 1 1 114 114 SER C C 13 170.890 0.1 . 1 . . . . 114 SER C . 7220 1 1142 . 1 1 114 114 SER CA C 13 60.540 0.1 . 1 . . . . 114 SER CA . 7220 1 1143 . 1 1 114 114 SER CB C 13 63.670 0.1 . 1 . . . . 114 SER CB . 7220 1 1144 . 1 1 114 114 SER N N 15 120.880 0.1 . 1 . . . . 114 SER N . 7220 1 1145 . 1 1 115 115 ASN H H 1 7.140 0.05 . 1 . . . . 115 ASN HN . 7220 1 1146 . 1 1 115 115 ASN HA H 1 5.107 0.05 . 1 . . . . 115 ASN HA . 7220 1 1147 . 1 1 115 115 ASN HB2 H 1 2.990 0.05 . 2 . . . . 115 ASN HB1 . 7220 1 1148 . 1 1 115 115 ASN HB3 H 1 3.390 0.05 . 2 . . . . 115 ASN HB2 . 7220 1 1149 . 1 1 115 115 ASN HD21 H 1 7.270 0.05 . 2 . . . . 115 ASN HD21 . 7220 1 1150 . 1 1 115 115 ASN HD22 H 1 7.980 0.05 . 2 . . . . 115 ASN HD22 . 7220 1 1151 . 1 1 115 115 ASN C C 13 173.430 0.1 . 1 . . . . 115 ASN C . 7220 1 1152 . 1 1 115 115 ASN CA C 13 53.000 0.1 . 1 . . . . 115 ASN CA . 7220 1 1153 . 1 1 115 115 ASN CB C 13 39.080 0.1 . 1 . . . . 115 ASN CB . 7220 1 1154 . 1 1 115 115 ASN N N 15 117.650 0.1 . 1 . . . . 115 ASN N . 7220 1 1155 . 1 1 115 115 ASN ND2 N 15 112.450 0.1 . 1 . . . . 115 ASN ND2 . 7220 1 1156 . 1 1 116 116 GLY H H 1 8.880 0.05 . 1 . . . . 116 GLY HN . 7220 1 1157 . 1 1 116 116 GLY HA2 H 1 3.270 0.05 . 2 . . . . 116 GLY HA1 . 7220 1 1158 . 1 1 116 116 GLY HA3 H 1 4.410 0.05 . 2 . . . . 116 GLY HA2 . 7220 1 1159 . 1 1 116 116 GLY C C 13 172.050 0.1 . 1 . . . . 116 GLY C . 7220 1 1160 . 1 1 116 116 GLY CA C 13 45.400 0.1 . 1 . . . . 116 GLY CA . 7220 1 1161 . 1 1 116 116 GLY N N 15 111.830 0.1 . 1 . . . . 116 GLY N . 7220 1 1162 . 1 1 117 117 SER H H 1 8.134 0.05 . 1 . . . . 117 SER HN . 7220 1 1163 . 1 1 117 117 SER HA H 1 5.000 0.05 . 1 . . . . 117 SER HA . 7220 1 1164 . 1 1 117 117 SER HB2 H 1 3.980 0.05 . 2 . . . . 117 SER HB1 . 7220 1 1165 . 1 1 117 117 SER HB3 H 1 4.140 0.05 . 2 . . . . 117 SER HB2 . 7220 1 1166 . 1 1 117 117 SER C C 13 173.420 0.1 . 1 . . . . 117 SER C . 7220 1 1167 . 1 1 117 117 SER CA C 13 57.680 0.1 . 1 . . . . 117 SER CA . 7220 1 1168 . 1 1 117 117 SER CB C 13 66.530 0.1 . 1 . . . . 117 SER CB . 7220 1 1169 . 1 1 117 117 SER N N 15 118.250 0.1 . 1 . . . . 117 SER N . 7220 1 1170 . 1 1 118 118 LEU H H 1 9.210 0.05 . 1 . . . . 118 LEU HN . 7220 1 1171 . 1 1 118 118 LEU HA H 1 3.140 0.05 . 1 . . . . 118 LEU HA . 7220 1 1172 . 1 1 118 118 LEU HB2 H 1 0.624 0.05 . 2 . . . . 118 LEU HB1 . 7220 1 1173 . 1 1 118 118 LEU HB3 H 1 1.385 0.05 . 2 . . . . 118 LEU HB2 . 7220 1 1174 . 1 1 118 118 LEU HG H 1 1.070 0.05 . 1 . . . . 118 LEU HG . 7220 1 1175 . 1 1 118 118 LEU HD11 H 1 0.690 0.05 . 2 . . . . 118 LEU HD1 . 7220 1 1176 . 1 1 118 118 LEU HD12 H 1 0.690 0.05 . 2 . . . . 118 LEU HD1 . 7220 1 1177 . 1 1 118 118 LEU HD13 H 1 0.690 0.05 . 2 . . . . 118 LEU HD1 . 7220 1 1178 . 1 1 118 118 LEU HD21 H 1 0.534 0.05 . 2 . . . . 118 LEU HD2 . 7220 1 1179 . 1 1 118 118 LEU HD22 H 1 0.534 0.05 . 2 . . . . 118 LEU HD2 . 7220 1 1180 . 1 1 118 118 LEU HD23 H 1 0.534 0.05 . 2 . . . . 118 LEU HD2 . 7220 1 1181 . 1 1 118 118 LEU C C 13 176.670 0.1 . 1 . . . . 118 LEU C . 7220 1 1182 . 1 1 118 118 LEU CA C 13 59.650 0.1 . 1 . . . . 118 LEU CA . 7220 1 1183 . 1 1 118 118 LEU CB C 13 41.150 0.1 . 1 . . . . 118 LEU CB . 7220 1 1184 . 1 1 118 118 LEU CG C 13 26.840 0.1 . 1 . . . . 118 LEU CG . 7220 1 1185 . 1 1 118 118 LEU CD1 C 13 25.780 0.1 . 1 . . . . 118 LEU CD1 . 7220 1 1186 . 1 1 118 118 LEU CD2 C 13 22.960 0.1 . 1 . . . . 118 LEU CD2 . 7220 1 1187 . 1 1 118 118 LEU N N 15 129.070 0.1 . 1 . . . . 118 LEU N . 7220 1 1188 . 1 1 119 119 GLU H H 1 8.990 0.05 . 1 . . . . 119 GLU HN . 7220 1 1189 . 1 1 119 119 GLU HA H 1 3.960 0.05 . 1 . . . . 119 GLU HA . 7220 1 1190 . 1 1 119 119 GLU HB2 H 1 2.000 0.05 . 2 . . . . 119 GLU HB2 . 7220 1 1191 . 1 1 119 119 GLU HG2 H 1 2.370 0.05 . 2 . . . . 119 GLU HG1 . 7220 1 1192 . 1 1 119 119 GLU HG3 H 1 2.270 0.05 . 2 . . . . 119 GLU HG2 . 7220 1 1193 . 1 1 119 119 GLU C C 13 174.880 0.1 . 1 . . . . 119 GLU C . 7220 1 1194 . 1 1 119 119 GLU CA C 13 59.450 0.1 . 1 . . . . 119 GLU CA . 7220 1 1195 . 1 1 119 119 GLU CB C 13 28.620 0.1 . 1 . . . . 119 GLU CB . 7220 1 1196 . 1 1 119 119 GLU CG C 13 36.990 0.1 . 1 . . . . 119 GLU CG . 7220 1 1197 . 1 1 119 119 GLU N N 15 116.720 0.1 . 1 . . . . 119 GLU N . 7220 1 1198 . 1 1 120 120 GLY H H 1 7.600 0.05 . 1 . . . . 120 GLY HN . 7220 1 1199 . 1 1 120 120 GLY HA2 H 1 4.460 0.05 . 2 . . . . 120 GLY HA1 . 7220 1 1200 . 1 1 120 120 GLY HA3 H 1 3.600 0.05 . 2 . . . . 120 GLY HA2 . 7220 1 1201 . 1 1 120 120 GLY C C 13 172.640 0.1 . 1 . . . . 120 GLY C . 7220 1 1202 . 1 1 120 120 GLY CA C 13 44.630 0.1 . 1 . . . . 120 GLY CA . 7220 1 1203 . 1 1 120 120 GLY N N 15 108.180 0.1 . 1 . . . . 120 GLY N . 7220 1 1204 . 1 1 121 121 LEU H H 1 7.060 0.05 . 1 . . . . 121 LEU HN . 7220 1 1205 . 1 1 121 121 LEU HA H 1 4.360 0.05 . 1 . . . . 121 LEU HA . 7220 1 1206 . 1 1 121 121 LEU HB2 H 1 1.660 0.05 . 2 . . . . 121 LEU HB2 . 7220 1 1207 . 1 1 121 121 LEU HG H 1 1.480 0.05 . 1 . . . . 121 LEU HG . 7220 1 1208 . 1 1 121 121 LEU HD11 H 1 0.916 0.05 . 2 . . . . 121 LEU HD1 . 7220 1 1209 . 1 1 121 121 LEU HD12 H 1 0.916 0.05 . 2 . . . . 121 LEU HD1 . 7220 1 1210 . 1 1 121 121 LEU HD13 H 1 0.916 0.05 . 2 . . . . 121 LEU HD1 . 7220 1 1211 . 1 1 121 121 LEU HD21 H 1 0.960 0.05 . 2 . . . . 121 LEU HD2 . 7220 1 1212 . 1 1 121 121 LEU HD22 H 1 0.960 0.05 . 2 . . . . 121 LEU HD2 . 7220 1 1213 . 1 1 121 121 LEU HD23 H 1 0.960 0.05 . 2 . . . . 121 LEU HD2 . 7220 1 1214 . 1 1 121 121 LEU C C 13 176.710 0.1 . 1 . . . . 121 LEU C . 7220 1 1215 . 1 1 121 121 LEU CA C 13 58.900 0.1 . 1 . . . . 121 LEU CA . 7220 1 1216 . 1 1 121 121 LEU CB C 13 44.460 0.1 . 1 . . . . 121 LEU CB . 7220 1 1217 . 1 1 121 121 LEU CG C 13 27.010 0.1 . 1 . . . . 121 LEU CG . 7220 1 1218 . 1 1 121 121 LEU CD1 C 13 25.000 0.1 . 1 . . . . 121 LEU CD1 . 7220 1 1219 . 1 1 121 121 LEU CD2 C 13 26.640 0.1 . 1 . . . . 121 LEU CD2 . 7220 1 1220 . 1 1 121 121 LEU N N 15 123.310 0.1 . 1 . . . . 121 LEU N . 7220 1 1221 . 1 1 122 122 ASP H H 1 8.590 0.05 . 1 . . . . 122 ASP HN . 7220 1 1222 . 1 1 122 122 ASP HA H 1 4.810 0.05 . 1 . . . . 122 ASP HA . 7220 1 1223 . 1 1 122 122 ASP HB2 H 1 2.404 0.05 . 2 . . . . 122 ASP HB1 . 7220 1 1224 . 1 1 122 122 ASP HB3 H 1 2.980 0.05 . 2 . . . . 122 ASP HB2 . 7220 1 1225 . 1 1 122 122 ASP C C 13 172.080 0.1 . 1 . . . . 122 ASP C . 7220 1 1226 . 1 1 122 122 ASP CA C 13 54.850 0.1 . 1 . . . . 122 ASP CA . 7220 1 1227 . 1 1 122 122 ASP CB C 13 41.070 0.1 . 1 . . . . 122 ASP CB . 7220 1 1228 . 1 1 122 122 ASP N N 15 116.620 0.1 . 1 . . . . 122 ASP N . 7220 1 1229 . 1 1 123 123 ASN H H 1 7.302 0.05 . 1 . . . . 123 ASN HN . 7220 1 1230 . 1 1 123 123 ASN HA H 1 4.400 0.05 . 1 . . . . 123 ASN HA . 7220 1 1231 . 1 1 123 123 ASN HB2 H 1 2.980 0.05 . 2 . . . . 123 ASN HB1 . 7220 1 1232 . 1 1 123 123 ASN HB3 H 1 3.090 0.05 . 2 . . . . 123 ASN HB2 . 7220 1 1233 . 1 1 123 123 ASN HD21 H 1 8.540 0.05 . 2 . . . . 123 ASN HD21 . 7220 1 1234 . 1 1 123 123 ASN HD22 H 1 7.030 0.05 . 2 . . . . 123 ASN HD22 . 7220 1 1235 . 1 1 123 123 ASN C C 13 175.140 0.1 . 1 . . . . 123 ASN C . 7220 1 1236 . 1 1 123 123 ASN CA C 13 55.630 0.1 . 1 . . . . 123 ASN CA . 7220 1 1237 . 1 1 123 123 ASN CB C 13 39.000 0.1 . 1 . . . . 123 ASN CB . 7220 1 1238 . 1 1 123 123 ASN N N 15 120.360 0.1 . 1 . . . . 123 ASN N . 7220 1 1239 . 1 1 123 123 ASN ND2 N 15 113.400 0.1 . 1 . . . . 123 ASN ND2 . 7220 1 1240 . 1 1 124 124 GLN H H 1 9.060 0.05 . 1 . . . . 124 GLN HN . 7220 1 1241 . 1 1 124 124 GLN HA H 1 4.240 0.05 . 1 . . . . 124 GLN HA . 7220 1 1242 . 1 1 124 124 GLN HB2 H 1 1.940 0.05 . 2 . . . . 124 GLN HB2 . 7220 1 1243 . 1 1 124 124 GLN HG2 H 1 2.470 0.05 . 2 . . . . 124 GLN HG1 . 7220 1 1244 . 1 1 124 124 GLN HG3 H 1 2.210 0.05 . 2 . . . . 124 GLN HG2 . 7220 1 1245 . 1 1 124 124 GLN HE21 H 1 7.370 0.05 . 2 . . . . 124 GLN HE21 . 7220 1 1246 . 1 1 124 124 GLN HE22 H 1 6.580 0.05 . 2 . . . . 124 GLN HE22 . 7220 1 1247 . 1 1 124 124 GLN C C 13 170.700 0.1 . 1 . . . . 124 GLN C . 7220 1 1248 . 1 1 124 124 GLN CA C 13 57.300 0.1 . 1 . . . . 124 GLN CA . 7220 1 1249 . 1 1 124 124 GLN CB C 13 31.290 0.1 . 1 . . . . 124 GLN CB . 7220 1 1250 . 1 1 124 124 GLN CG C 13 35.060 0.1 . 1 . . . . 124 GLN CG . 7220 1 1251 . 1 1 124 124 GLN N N 15 124.230 0.1 . 1 . . . . 124 GLN N . 7220 1 1252 . 1 1 124 124 GLN NE2 N 15 111.370 0.1 . 1 . . . . 124 GLN NE2 . 7220 1 1253 . 1 1 125 125 GLU H H 1 7.090 0.05 . 1 . . . . 125 GLU HN . 7220 1 1254 . 1 1 125 125 GLU HA H 1 5.341 0.05 . 1 . . . . 125 GLU HA . 7220 1 1255 . 1 1 125 125 GLU HB2 H 1 1.980 0.05 . 2 . . . . 125 GLU HB1 . 7220 1 1256 . 1 1 125 125 GLU HB3 H 1 2.030 0.05 . 2 . . . . 125 GLU HB2 . 7220 1 1257 . 1 1 125 125 GLU HG2 H 1 2.196 0.05 . 2 . . . . 125 GLU HG1 . 7220 1 1258 . 1 1 125 125 GLU HG3 H 1 2.257 0.05 . 2 . . . . 125 GLU HG2 . 7220 1 1259 . 1 1 125 125 GLU C C 13 172.760 0.1 . 1 . . . . 125 GLU C . 7220 1 1260 . 1 1 125 125 GLU CA C 13 55.140 0.1 . 1 . . . . 125 GLU CA . 7220 1 1261 . 1 1 125 125 GLU CB C 13 33.300 0.1 . 1 . . . . 125 GLU CB . 7220 1 1262 . 1 1 125 125 GLU CG C 13 36.010 0.1 . 1 . . . . 125 GLU CG . 7220 1 1263 . 1 1 125 125 GLU N N 15 115.700 0.1 . 1 . . . . 125 GLU N . 7220 1 1264 . 1 1 126 126 GLY H H 1 9.590 0.05 . 1 . . . . 126 GLY HN . 7220 1 1265 . 1 1 126 126 GLY HA2 H 1 3.490 0.05 . 2 . . . . 126 GLY HA1 . 7220 1 1266 . 1 1 126 126 GLY HA3 H 1 4.280 0.05 . 2 . . . . 126 GLY HA2 . 7220 1 1267 . 1 1 126 126 GLY C C 13 169.920 0.1 . 1 . . . . 126 GLY C . 7220 1 1268 . 1 1 126 126 GLY CA C 13 47.130 0.1 . 1 . . . . 126 GLY CA . 7220 1 1269 . 1 1 126 126 GLY N N 15 115.230 0.1 . 1 . . . . 126 GLY N . 7220 1 1270 . 1 1 127 127 GLY H H 1 8.700 0.05 . 1 . . . . 127 GLY HN . 7220 1 1271 . 1 1 127 127 GLY HA2 H 1 3.900 0.05 . 2 . . . . 127 GLY HA2 . 7220 1 1272 . 1 1 127 127 GLY C C 13 173.320 0.1 . 1 . . . . 127 GLY C . 7220 1 1273 . 1 1 127 127 GLY CA C 13 45.970 0.1 . 1 . . . . 127 GLY CA . 7220 1 1274 . 1 1 127 127 GLY N N 15 113.990 0.1 . 1 . . . . 127 GLY N . 7220 1 1275 . 1 1 128 128 VAL H H 1 8.390 0.05 . 1 . . . . 128 VAL HN . 7220 1 1276 . 1 1 128 128 VAL HA H 1 4.410 0.05 . 1 . . . . 128 VAL HA . 7220 1 1277 . 1 1 128 128 VAL HB H 1 2.180 0.05 . 1 . . . . 128 VAL HB . 7220 1 1278 . 1 1 128 128 VAL HG11 H 1 1.190 0.05 . 2 . . . . 128 VAL HG1 . 7220 1 1279 . 1 1 128 128 VAL HG12 H 1 1.190 0.05 . 2 . . . . 128 VAL HG1 . 7220 1 1280 . 1 1 128 128 VAL HG13 H 1 1.190 0.05 . 2 . . . . 128 VAL HG1 . 7220 1 1281 . 1 1 128 128 VAL HG21 H 1 1.330 0.05 . 2 . . . . 128 VAL HG2 . 7220 1 1282 . 1 1 128 128 VAL HG22 H 1 1.330 0.05 . 2 . . . . 128 VAL HG2 . 7220 1 1283 . 1 1 128 128 VAL HG23 H 1 1.330 0.05 . 2 . . . . 128 VAL HG2 . 7220 1 1284 . 1 1 128 128 VAL C C 13 176.340 0.1 . 1 . . . . 128 VAL C . 7220 1 1285 . 1 1 128 128 VAL CA C 13 66.820 0.1 . 1 . . . . 128 VAL CA . 7220 1 1286 . 1 1 128 128 VAL CB C 13 32.000 0.1 . 1 . . . . 128 VAL CB . 7220 1 1287 . 1 1 128 128 VAL CG1 C 13 23.080 0.1 . 1 . . . . 128 VAL CG1 . 7220 1 1288 . 1 1 128 128 VAL CG2 C 13 19.410 0.1 . 1 . . . . 128 VAL CG2 . 7220 1 1289 . 1 1 128 128 VAL N N 15 114.670 0.1 . 1 . . . . 128 VAL N . 7220 1 1290 . 1 1 129 129 CYS H H 1 8.110 0.05 . 1 . . . . 129 CYS HN . 7220 1 1291 . 1 1 129 129 CYS HA H 1 4.027 0.05 . 1 . . . . 129 CYS HA . 7220 1 1292 . 1 1 129 129 CYS HB2 H 1 3.165 0.05 . 2 . . . . 129 CYS HB1 . 7220 1 1293 . 1 1 129 129 CYS HB3 H 1 3.525 0.05 . 2 . . . . 129 CYS HB2 . 7220 1 1294 . 1 1 129 129 CYS C C 13 170.820 0.1 . 1 . . . . 129 CYS C . 7220 1 1295 . 1 1 129 129 CYS CA C 13 61.050 0.1 . 1 . . . . 129 CYS CA . 7220 1 1296 . 1 1 129 129 CYS CB C 13 36.100 0.1 . 1 . . . . 129 CYS CB . 7220 1 1297 . 1 1 129 129 CYS N N 15 124.160 0.1 . 1 . . . . 129 CYS N . 7220 1 1298 . 1 1 130 130 GLN H H 1 7.270 0.05 . 1 . . . . 130 GLN HN . 7220 1 1299 . 1 1 130 130 GLN HA H 1 4.200 0.05 . 1 . . . . 130 GLN HA . 7220 1 1300 . 1 1 130 130 GLN HB2 H 1 2.180 0.05 . 2 . . . . 130 GLN HB2 . 7220 1 1301 . 1 1 130 130 GLN HG2 H 1 2.400 0.05 . 2 . . . . 130 GLN HG2 . 7220 1 1302 . 1 1 130 130 GLN C C 13 175.550 0.1 . 1 . . . . 130 GLN C . 7220 1 1303 . 1 1 130 130 GLN CA C 13 57.770 0.1 . 1 . . . . 130 GLN CA . 7220 1 1304 . 1 1 130 130 GLN CB C 13 31.220 0.1 . 1 . . . . 130 GLN CB . 7220 1 1305 . 1 1 130 130 GLN CG C 13 34.400 0.1 . 1 . . . . 130 GLN CG . 7220 1 1306 . 1 1 130 130 GLN N N 15 119.090 0.1 . 1 . . . . 130 GLN N . 7220 1 1307 . 1 1 131 131 THR H H 1 9.150 0.05 . 1 . . . . 131 THR HN . 7220 1 1308 . 1 1 131 131 THR HA H 1 4.160 0.05 . 1 . . . . 131 THR HA . 7220 1 1309 . 1 1 131 131 THR HB H 1 4.290 0.05 . 1 . . . . 131 THR HB . 7220 1 1310 . 1 1 131 131 THR HG21 H 1 1.250 0.05 . 1 . . . . 131 THR HG2 . 7220 1 1311 . 1 1 131 131 THR HG22 H 1 1.250 0.05 . 1 . . . . 131 THR HG2 . 7220 1 1312 . 1 1 131 131 THR HG23 H 1 1.250 0.05 . 1 . . . . 131 THR HG2 . 7220 1 1313 . 1 1 131 131 THR C C 13 174.060 0.1 . 1 . . . . 131 THR C . 7220 1 1314 . 1 1 131 131 THR CA C 13 64.750 0.1 . 1 . . . . 131 THR CA . 7220 1 1315 . 1 1 131 131 THR CB C 13 69.660 0.1 . 1 . . . . 131 THR CB . 7220 1 1316 . 1 1 131 131 THR CG2 C 13 21.900 0.1 . 1 . . . . 131 THR CG2 . 7220 1 1317 . 1 1 131 131 THR N N 15 110.380 0.1 . 1 . . . . 131 THR N . 7220 1 1318 . 1 1 132 132 ARG H H 1 7.660 0.05 . 1 . . . . 132 ARG HN . 7220 1 1319 . 1 1 132 132 ARG HA H 1 4.680 0.05 . 1 . . . . 132 ARG HA . 7220 1 1320 . 1 1 132 132 ARG HB2 H 1 1.480 0.05 . 2 . . . . 132 ARG HB1 . 7220 1 1321 . 1 1 132 132 ARG HB3 H 1 1.930 0.05 . 2 . . . . 132 ARG HB2 . 7220 1 1322 . 1 1 132 132 ARG HG2 H 1 1.590 0.05 . 2 . . . . 132 ARG HG2 . 7220 1 1323 . 1 1 132 132 ARG HD2 H 1 3.172 0.05 . 2 . . . . 132 ARG HD2 . 7220 1 1324 . 1 1 132 132 ARG C C 13 171.490 0.1 . 1 . . . . 132 ARG C . 7220 1 1325 . 1 1 132 132 ARG CA C 13 54.580 0.1 . 1 . . . . 132 ARG CA . 7220 1 1326 . 1 1 132 132 ARG CB C 13 32.420 0.1 . 1 . . . . 132 ARG CB . 7220 1 1327 . 1 1 132 132 ARG CG C 13 27.190 0.1 . 1 . . . . 132 ARG CG . 7220 1 1328 . 1 1 132 132 ARG CD C 13 43.250 0.1 . 1 . . . . 132 ARG CD . 7220 1 1329 . 1 1 132 132 ARG N N 15 119.400 0.1 . 1 . . . . 132 ARG N . 7220 1 1330 . 1 1 133 133 ALA H H 1 6.950 0.05 . 1 . . . . 133 ALA HN . 7220 1 1331 . 1 1 133 133 ALA HA H 1 3.990 0.05 . 1 . . . . 133 ALA HA . 7220 1 1332 . 1 1 133 133 ALA HB1 H 1 1.360 0.05 . 1 . . . . 133 ALA HB . 7220 1 1333 . 1 1 133 133 ALA HB2 H 1 1.360 0.05 . 1 . . . . 133 ALA HB . 7220 1 1334 . 1 1 133 133 ALA HB3 H 1 1.360 0.05 . 1 . . . . 133 ALA HB . 7220 1 1335 . 1 1 133 133 ALA C C 13 172.680 0.1 . 1 . . . . 133 ALA C . 7220 1 1336 . 1 1 133 133 ALA CA C 13 53.420 0.1 . 1 . . . . 133 ALA CA . 7220 1 1337 . 1 1 133 133 ALA CB C 13 17.520 0.1 . 1 . . . . 133 ALA CB . 7220 1 1338 . 1 1 133 133 ALA N N 15 119.490 0.1 . 1 . . . . 133 ALA N . 7220 1 1339 . 1 1 134 134 MET H H 1 7.150 0.05 . 1 . . . . 134 MET HN . 7220 1 1340 . 1 1 134 134 MET HA H 1 3.190 0.05 . 1 . . . . 134 MET HA . 7220 1 1341 . 1 1 134 134 MET HB2 H 1 0.820 0.05 . 2 . . . . 134 MET HB1 . 7220 1 1342 . 1 1 134 134 MET HB3 H 1 1.050 0.05 . 2 . . . . 134 MET HB2 . 7220 1 1343 . 1 1 134 134 MET HG2 H 1 0.445 0.05 . 2 . . . . 134 MET HG1 . 7220 1 1344 . 1 1 134 134 MET HG3 H 1 1.230 0.05 . 2 . . . . 134 MET HG2 . 7220 1 1345 . 1 1 134 134 MET C C 13 169.320 0.1 . 1 . . . . 134 MET C . 7220 1 1346 . 1 1 134 134 MET CA C 13 56.400 0.1 . 1 . . . . 134 MET CA . 7220 1 1347 . 1 1 134 134 MET CB C 13 29.870 0.1 . 1 . . . . 134 MET CB . 7220 1 1348 . 1 1 134 134 MET CG C 13 32.800 0.1 . 1 . . . . 134 MET CG . 7220 1 1349 . 1 1 134 134 MET N N 15 117.000 0.1 . 1 . . . . 134 MET N . 7220 1 1350 . 1 1 135 135 LYS H H 1 7.710 0.05 . 1 . . . . 135 LYS HN . 7220 1 1351 . 1 1 135 135 LYS HA H 1 5.540 0.05 . 1 . . . . 135 LYS HA . 7220 1 1352 . 1 1 135 135 LYS HB2 H 1 1.820 0.05 . 2 . . . . 135 LYS HB2 . 7220 1 1353 . 1 1 135 135 LYS HG2 H 1 1.140 0.05 . 2 . . . . 135 LYS HG1 . 7220 1 1354 . 1 1 135 135 LYS HG3 H 1 1.190 0.05 . 2 . . . . 135 LYS HG2 . 7220 1 1355 . 1 1 135 135 LYS HD2 H 1 1.610 0.05 . 2 . . . . 135 LYS HD1 . 7220 1 1356 . 1 1 135 135 LYS HD3 H 1 1.720 0.05 . 2 . . . . 135 LYS HD2 . 7220 1 1357 . 1 1 135 135 LYS HE2 H 1 2.790 0.05 . 2 . . . . 135 LYS HE2 . 7220 1 1358 . 1 1 135 135 LYS C C 13 171.940 0.1 . 1 . . . . 135 LYS C . 7220 1 1359 . 1 1 135 135 LYS CA C 13 54.200 0.1 . 1 . . . . 135 LYS CA . 7220 1 1360 . 1 1 135 135 LYS CB C 13 37.220 0.1 . 1 . . . . 135 LYS CB . 7220 1 1361 . 1 1 135 135 LYS CG C 13 24.350 0.1 . 1 . . . . 135 LYS CG . 7220 1 1362 . 1 1 135 135 LYS CD C 13 30.500 0.1 . 1 . . . . 135 LYS CD . 7220 1 1363 . 1 1 135 135 LYS CE C 13 41.710 0.1 . 1 . . . . 135 LYS CE . 7220 1 1364 . 1 1 135 135 LYS N N 15 121.240 0.1 . 1 . . . . 135 LYS N . 7220 1 1365 . 1 1 136 136 ILE H H 1 9.810 0.05 . 1 . . . . 136 ILE HN . 7220 1 1366 . 1 1 136 136 ILE HA H 1 5.300 0.05 . 1 . . . . 136 ILE HA . 7220 1 1367 . 1 1 136 136 ILE HB H 1 1.900 0.05 . 1 . . . . 136 ILE HB . 7220 1 1368 . 1 1 136 136 ILE HG12 H 1 1.230 0.05 . 1 . . . . 136 ILE HG12 . 7220 1 1369 . 1 1 136 136 ILE HG21 H 1 0.826 0.05 . 1 . . . . 136 ILE HG2 . 7220 1 1370 . 1 1 136 136 ILE HG22 H 1 0.826 0.05 . 1 . . . . 136 ILE HG2 . 7220 1 1371 . 1 1 136 136 ILE HG23 H 1 0.826 0.05 . 1 . . . . 136 ILE HG2 . 7220 1 1372 . 1 1 136 136 ILE HD11 H 1 1.120 0.05 . 1 . . . . 136 ILE HD1 . 7220 1 1373 . 1 1 136 136 ILE HD12 H 1 1.120 0.05 . 1 . . . . 136 ILE HD1 . 7220 1 1374 . 1 1 136 136 ILE HD13 H 1 1.120 0.05 . 1 . . . . 136 ILE HD1 . 7220 1 1375 . 1 1 136 136 ILE C C 13 171.900 0.1 . 1 . . . . 136 ILE C . 7220 1 1376 . 1 1 136 136 ILE CA C 13 60.080 0.1 . 1 . . . . 136 ILE CA . 7220 1 1377 . 1 1 136 136 ILE CB C 13 41.610 0.1 . 1 . . . . 136 ILE CB . 7220 1 1378 . 1 1 136 136 ILE CG1 C 13 28.500 0.1 . 2 . . . . 136 ILE CG1 . 7220 1 1379 . 1 1 136 136 ILE CG2 C 13 18.060 0.1 . 1 . . . . 136 ILE CG2 . 7220 1 1380 . 1 1 136 136 ILE CD1 C 13 15.360 0.1 . 1 . . . . 136 ILE CD1 . 7220 1 1381 . 1 1 136 136 ILE N N 15 121.540 0.1 . 1 . . . . 136 ILE N . 7220 1 1382 . 1 1 137 137 LEU H H 1 8.910 0.05 . 1 . . . . 137 LEU HN . 7220 1 1383 . 1 1 137 137 LEU HA H 1 4.680 0.05 . 1 . . . . 137 LEU HA . 7220 1 1384 . 1 1 137 137 LEU HB2 H 1 1.750 0.05 . 2 . . . . 137 LEU HB1 . 7220 1 1385 . 1 1 137 137 LEU HB3 H 1 1.434 0.05 . 2 . . . . 137 LEU HB2 . 7220 1 1386 . 1 1 137 137 LEU HG H 1 0.850 0.05 . 1 . . . . 137 LEU HG . 7220 1 1387 . 1 1 137 137 LEU HD11 H 1 0.400 0.05 . 2 . . . . 137 LEU HD1 . 7220 1 1388 . 1 1 137 137 LEU HD12 H 1 0.400 0.05 . 2 . . . . 137 LEU HD1 . 7220 1 1389 . 1 1 137 137 LEU HD13 H 1 0.400 0.05 . 2 . . . . 137 LEU HD1 . 7220 1 1390 . 1 1 137 137 LEU C C 13 171.240 0.1 . 1 . . . . 137 LEU C . 7220 1 1391 . 1 1 137 137 LEU CA C 13 53.750 0.1 . 1 . . . . 137 LEU CA . 7220 1 1392 . 1 1 137 137 LEU CB C 13 43.460 0.1 . 1 . . . . 137 LEU CB . 7220 1 1393 . 1 1 137 137 LEU CG C 13 26.650 0.1 . 1 . . . . 137 LEU CG . 7220 1 1394 . 1 1 137 137 LEU CD1 C 13 22.530 0.1 . 1 . . . . 137 LEU CD1 . 7220 1 1395 . 1 1 137 137 LEU N N 15 130.530 0.1 . 1 . . . . 137 LEU N . 7220 1 1396 . 1 1 138 138 MET H H 1 9.270 0.05 . 1 . . . . 138 MET HN . 7220 1 1397 . 1 1 138 138 MET HA H 1 4.460 0.05 . 1 . . . . 138 MET HA . 7220 1 1398 . 1 1 138 138 MET HB2 H 1 1.980 0.05 . 2 . . . . 138 MET HB1 . 7220 1 1399 . 1 1 138 138 MET HB3 H 1 1.350 0.05 . 2 . . . . 138 MET HB2 . 7220 1 1400 . 1 1 138 138 MET HG2 H 1 2.400 0.05 . 2 . . . . 138 MET HG2 . 7220 1 1401 . 1 1 138 138 MET C C 13 170.830 0.1 . 1 . . . . 138 MET C . 7220 1 1402 . 1 1 138 138 MET CA C 13 54.100 0.1 . 1 . . . . 138 MET CA . 7220 1 1403 . 1 1 138 138 MET CB C 13 34.600 0.1 . 1 . . . . 138 MET CB . 7220 1 1404 . 1 1 138 138 MET CG C 13 32.590 0.1 . 1 . . . . 138 MET CG . 7220 1 1405 . 1 1 138 138 MET N N 15 124.180 0.1 . 1 . . . . 138 MET N . 7220 1 1406 . 1 1 139 139 LYS H H 1 8.630 0.05 . 1 . . . . 139 LYS HN . 7220 1 1407 . 1 1 139 139 LYS HA H 1 4.650 0.05 . 1 . . . . 139 LYS HA . 7220 1 1408 . 1 1 139 139 LYS HB2 H 1 1.470 0.05 . 2 . . . . 139 LYS HB1 . 7220 1 1409 . 1 1 139 139 LYS HB3 H 1 1.280 0.05 . 2 . . . . 139 LYS HB2 . 7220 1 1410 . 1 1 139 139 LYS C C 13 173.020 0.1 . 1 . . . . 139 LYS C . 7220 1 1411 . 1 1 139 139 LYS CA C 13 55.900 0.1 . 1 . . . . 139 LYS CA . 7220 1 1412 . 1 1 139 139 LYS CB C 13 28.260 0.1 . 1 . . . . 139 LYS CB . 7220 1 1413 . 1 1 139 139 LYS N N 15 128.190 0.1 . 1 . . . . 139 LYS N . 7220 1 1414 . 1 1 140 140 VAL H H 1 7.730 0.05 . 1 . . . . 140 VAL HN . 7220 1 1415 . 1 1 140 140 VAL HA H 1 3.940 0.05 . 1 . . . . 140 VAL HA . 7220 1 1416 . 1 1 140 140 VAL HB H 1 2.710 0.05 . 1 . . . . 140 VAL HB . 7220 1 1417 . 1 1 140 140 VAL HG21 H 1 0.890 0.05 . 2 . . . . 140 VAL HG2 . 7220 1 1418 . 1 1 140 140 VAL HG22 H 1 0.890 0.05 . 2 . . . . 140 VAL HG2 . 7220 1 1419 . 1 1 140 140 VAL HG23 H 1 0.890 0.05 . 2 . . . . 140 VAL HG2 . 7220 1 1420 . 1 1 140 140 VAL C C 13 172.720 0.1 . 1 . . . . 140 VAL C . 7220 1 1421 . 1 1 140 140 VAL CA C 13 64.350 0.1 . 1 . . . . 140 VAL CA . 7220 1 1422 . 1 1 140 140 VAL CB C 13 31.220 0.1 . 1 . . . . 140 VAL CB . 7220 1 1423 . 1 1 140 140 VAL CG2 C 13 24.170 0.1 . 1 . . . . 140 VAL CG2 . 7220 1 1424 . 1 1 140 140 VAL N N 15 122.070 0.1 . 1 . . . . 140 VAL N . 7220 1 1425 . 1 1 141 141 GLY H H 1 9.620 0.05 . 1 . . . . 141 GLY HN . 7220 1 1426 . 1 1 141 141 GLY HA2 H 1 3.703 0.05 . 2 . . . . 141 GLY HA1 . 7220 1 1427 . 1 1 141 141 GLY HA3 H 1 4.250 0.05 . 2 . . . . 141 GLY HA2 . 7220 1 1428 . 1 1 141 141 GLY C C 13 170.370 0.1 . 1 . . . . 141 GLY C . 7220 1 1429 . 1 1 141 141 GLY CA C 13 46.600 0.1 . 1 . . . . 141 GLY CA . 7220 1 1430 . 1 1 141 141 GLY N N 15 115.490 0.1 . 1 . . . . 141 GLY N . 7220 1 1431 . 1 1 142 142 GLN H H 1 7.280 0.05 . 1 . . . . 142 GLN HN . 7220 1 1432 . 1 1 142 142 GLN HA H 1 4.580 0.05 . 1 . . . . 142 GLN HA . 7220 1 1433 . 1 1 142 142 GLN HB2 H 1 1.790 0.05 . 2 . . . . 142 GLN HB2 . 7220 1 1434 . 1 1 142 142 GLN HG2 H 1 2.330 0.05 . 2 . . . . 142 GLN HG2 . 7220 1 1435 . 1 1 142 142 GLN C C 13 171.260 0.1 . 1 . . . . 142 GLN C . 7220 1 1436 . 1 1 142 142 GLN CA C 13 55.540 0.1 . 1 . . . . 142 GLN CA . 7220 1 1437 . 1 1 142 142 GLN CB C 13 32.420 0.1 . 1 . . . . 142 GLN CB . 7220 1 1438 . 1 1 142 142 GLN CG C 13 35.480 0.1 . 1 . . . . 142 GLN CG . 7220 1 1439 . 1 1 142 142 GLN N N 15 117.750 0.1 . 1 . . . . 142 GLN N . 7220 1 1440 . 1 1 143 143 ASP H H 1 8.510 0.05 . 1 . . . . 143 ASP HN . 7220 1 1441 . 1 1 143 143 ASP HA H 1 4.510 0.05 . 1 . . . . 143 ASP HA . 7220 1 1442 . 1 1 143 143 ASP HB2 H 1 2.520 0.05 . 2 . . . . 143 ASP HB1 . 7220 1 1443 . 1 1 143 143 ASP HB3 H 1 2.650 0.05 . 2 . . . . 143 ASP HB2 . 7220 1 1444 . 1 1 143 143 ASP C C 13 173.050 0.1 . 1 . . . . 143 ASP C . 7220 1 1445 . 1 1 143 143 ASP CA C 13 53.840 0.1 . 1 . . . . 143 ASP CA . 7220 1 1446 . 1 1 143 143 ASP CB C 13 43.200 0.1 . 1 . . . . 143 ASP CB . 7220 1 1447 . 1 1 143 143 ASP N N 15 119.570 0.1 . 1 . . . . 143 ASP N . 7220 1 1448 . 1 1 144 144 ALA H H 1 8.270 0.05 . 1 . . . . 144 ALA HN . 7220 1 1449 . 1 1 144 144 ALA HA H 1 3.410 0.05 . 1 . . . . 144 ALA HA . 7220 1 1450 . 1 1 144 144 ALA HB1 H 1 0.950 0.05 . 1 . . . . 144 ALA HB . 7220 1 1451 . 1 1 144 144 ALA HB2 H 1 0.950 0.05 . 1 . . . . 144 ALA HB . 7220 1 1452 . 1 1 144 144 ALA HB3 H 1 0.950 0.05 . 1 . . . . 144 ALA HB . 7220 1 1453 . 1 1 144 144 ALA C C 13 175.700 0.1 . 1 . . . . 144 ALA C . 7220 1 1454 . 1 1 144 144 ALA CA C 13 53.530 0.1 . 1 . . . . 144 ALA CA . 7220 1 1455 . 1 1 144 144 ALA CB C 13 18.750 0.1 . 1 . . . . 144 ALA CB . 7220 1 1456 . 1 1 144 144 ALA N N 15 126.940 0.1 . 1 . . . . 144 ALA N . 7220 1 1457 . 1 1 145 145 SER H H 1 8.300 0.05 . 1 . . . . 145 SER HN . 7220 1 1458 . 1 1 145 145 SER HA H 1 4.300 0.05 . 1 . . . . 145 SER HA . 7220 1 1459 . 1 1 145 145 SER HB2 H 1 3.820 0.05 . 2 . . . . 145 SER HB1 . 7220 1 1460 . 1 1 145 145 SER HB3 H 1 3.870 0.05 . 2 . . . . 145 SER HB2 . 7220 1 1461 . 1 1 145 145 SER C C 13 172.350 0.1 . 1 . . . . 145 SER C . 7220 1 1462 . 1 1 145 145 SER CA C 13 59.840 0.1 . 1 . . . . 145 SER CA . 7220 1 1463 . 1 1 145 145 SER CB C 13 63.940 0.1 . 1 . . . . 145 SER CB . 7220 1 1464 . 1 1 145 145 SER N N 15 114.280 0.1 . 1 . . . . 145 SER N . 7220 1 1465 . 1 1 146 146 SER H H 1 8.020 0.05 . 1 . . . . 146 SER HN . 7220 1 1466 . 1 1 146 146 SER HA H 1 4.410 0.05 . 1 . . . . 146 SER HA . 7220 1 1467 . 1 1 146 146 SER HB2 H 1 3.920 0.05 . 2 . . . . 146 SER HB1 . 7220 1 1468 . 1 1 146 146 SER HB3 H 1 3.860 0.05 . 2 . . . . 146 SER HB2 . 7220 1 1469 . 1 1 146 146 SER C C 13 171.820 0.1 . 1 . . . . 146 SER C . 7220 1 1470 . 1 1 146 146 SER CA C 13 59.110 0.1 . 1 . . . . 146 SER CA . 7220 1 1471 . 1 1 146 146 SER CB C 13 64.120 0.1 . 1 . . . . 146 SER CB . 7220 1 1472 . 1 1 146 146 SER N N 15 117.480 0.1 . 1 . . . . 146 SER N . 7220 1 1473 . 1 1 147 147 ALA H H 1 8.100 0.05 . 1 . . . . 147 ALA HN . 7220 1 1474 . 1 1 147 147 ALA HA H 1 4.310 0.05 . 1 . . . . 147 ALA HA . 7220 1 1475 . 1 1 147 147 ALA HB1 H 1 1.410 0.05 . 1 . . . . 147 ALA HB . 7220 1 1476 . 1 1 147 147 ALA HB2 H 1 1.410 0.05 . 1 . . . . 147 ALA HB . 7220 1 1477 . 1 1 147 147 ALA HB3 H 1 1.410 0.05 . 1 . . . . 147 ALA HB . 7220 1 1478 . 1 1 147 147 ALA C C 13 175.520 0.1 . 1 . . . . 147 ALA C . 7220 1 1479 . 1 1 147 147 ALA CA C 13 53.260 0.1 . 1 . . . . 147 ALA CA . 7220 1 1480 . 1 1 147 147 ALA CB C 13 19.400 0.1 . 1 . . . . 147 ALA CB . 7220 1 1481 . 1 1 147 147 ALA N N 15 125.850 0.1 . 1 . . . . 147 ALA N . 7220 1 1482 . 1 1 148 148 GLY H H 1 8.300 0.05 . 1 . . . . 148 GLY HN . 7220 1 1483 . 1 1 148 148 GLY HA2 H 1 3.650 0.05 . 2 . . . . 148 GLY HA1 . 7220 1 1484 . 1 1 148 148 GLY HA3 H 1 3.970 0.05 . 2 . . . . 148 GLY HA2 . 7220 1 1485 . 1 1 148 148 GLY C C 13 171.530 0.1 . 1 . . . . 148 GLY C . 7220 1 1486 . 1 1 148 148 GLY CA C 13 45.790 0.1 . 1 . . . . 148 GLY CA . 7220 1 1487 . 1 1 148 148 GLY N N 15 108.000 0.1 . 1 . . . . 148 GLY N . 7220 1 1488 . 1 1 149 149 SER H H 1 8.160 0.05 . 1 . . . . 149 SER HN . 7220 1 1489 . 1 1 149 149 SER HA H 1 4.520 0.05 . 1 . . . . 149 SER HA . 7220 1 1490 . 1 1 149 149 SER HB2 H 1 3.880 0.05 . 2 . . . . 149 SER HB2 . 7220 1 1491 . 1 1 149 149 SER C C 13 172.050 0.1 . 1 . . . . 149 SER C . 7220 1 1492 . 1 1 149 149 SER CA C 13 58.800 0.1 . 1 . . . . 149 SER CA . 7220 1 1493 . 1 1 149 149 SER CB C 13 64.400 0.1 . 1 . . . . 149 SER CB . 7220 1 1494 . 1 1 149 149 SER N N 15 115.640 0.1 . 1 . . . . 149 SER N . 7220 1 1495 . 1 1 150 150 THR H H 1 8.240 0.05 . 1 . . . . 150 THR HN . 7220 1 1496 . 1 1 150 150 THR HA H 1 4.330 0.05 . 1 . . . . 150 THR HA . 7220 1 1497 . 1 1 150 150 THR HG21 H 1 1.190 0.05 . 1 . . . . 150 THR HG2 . 7220 1 1498 . 1 1 150 150 THR HG22 H 1 1.190 0.05 . 1 . . . . 150 THR HG2 . 7220 1 1499 . 1 1 150 150 THR HG23 H 1 1.190 0.05 . 1 . . . . 150 THR HG2 . 7220 1 1500 . 1 1 150 150 THR C C 13 170.930 0.1 . 1 . . . . 150 THR C . 7220 1 1501 . 1 1 150 150 THR CA C 13 62.420 0.1 . 1 . . . . 150 THR CA . 7220 1 1502 . 1 1 150 150 THR CB C 13 70.290 0.1 . 1 . . . . 150 THR CB . 7220 1 1503 . 1 1 150 150 THR N N 15 116.490 0.1 . 1 . . . . 150 THR N . 7220 1 1504 . 1 1 151 151 ARG H H 1 7.620 0.05 . 1 . . . . 151 ARG HN . 7220 1 1505 . 1 1 151 151 ARG HA H 1 4.200 0.05 . 1 . . . . 151 ARG HA . 7220 1 1506 . 1 1 151 151 ARG HB2 H 1 1.705 0.05 . 2 . . . . 151 ARG HB1 . 7220 1 1507 . 1 1 151 151 ARG HB3 H 1 1.850 0.05 . 2 . . . . 151 ARG HB2 . 7220 1 1508 . 1 1 151 151 ARG HG2 H 1 1.600 0.05 . 2 . . . . 151 ARG HG2 . 7220 1 1509 . 1 1 151 151 ARG HD2 H 1 3.180 0.05 . 2 . . . . 151 ARG HD2 . 7220 1 1510 . 1 1 151 151 ARG C C 13 178.170 0.1 . 1 . . . . 151 ARG C . 7220 1 1511 . 1 1 151 151 ARG CA C 13 58.040 0.1 . 1 . . . . 151 ARG CA . 7220 1 1512 . 1 1 151 151 ARG CB C 13 31.650 0.1 . 1 . . . . 151 ARG CB . 7220 1 1513 . 1 1 151 151 ARG CG C 13 30.000 0.1 . 1 . . . . 151 ARG CG . 7220 1 1514 . 1 1 151 151 ARG CD C 13 44.690 0.1 . 1 . . . . 151 ARG CD . 7220 1 1515 . 1 1 151 151 ARG N N 15 127.800 0.1 . 1 . . . . 151 ARG N . 7220 1 stop_ save_