data_5992 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5992 _Entry.Title ; 1H, 13C and 15N resonance assignment and secondary structure of the C-terminal domain of the human centrin 2 in complex with a 17 residue peptide from Xeroderma Pigmentosum group C protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-11-03 _Entry.Accession_date 2003-11-03 _Entry.Last_release_date 2004-05-15 _Entry.Original_release_date 2004-05-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Simona Miron . . . 5992 2 Ao Yang . . . 5992 3 Yves Blouquit . . . 5992 4 Patricia Duchambon . . . 5992 5 Constantin Craescu . T. . 5992 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5992 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 619 5992 '13C chemical shifts' 247 5992 '15N chemical shifts' 81 5992 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-05-15 2003-11-03 original author . 5992 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5992 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12890685 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignment and secondary structure of the C-terminal domain of the human centrin 2 in complex with a 17 residue peptide from Xeroderma Pigmentosum group C protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _Citation.Journal_issue 41 _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 40252 _Citation.Page_last 40261 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Simona Miron . . . 5992 1 2 Ao Yang . . . 5992 1 3 Yves Blouquit . . . 5992 1 4 Patricia Duchambon . . . 5992 1 5 Constantin Craescu . T. . 5992 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR, nuclear magnetic resonance' 5992 1 'human centrin 2' 5992 1 'resonance assignment' 5992 1 'xeroderma pigmentosum group C protein' 5992 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SC-CEN2-P1-XPC-complex _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SC-CEN2-P1-XPC-complex _Assembly.Entry_ID 5992 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of human centrin 2-Ca2+ - P1-XPC Peptide Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5992 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C-terminal domain of human centrin 2' 1 $SC-CEN2 . . . native . . . . . 5992 1 2 'P1-XPC Peptide' 2 $P1-XPC . . . native . . . . . 5992 1 3 'Calcium ion' 3 $CA . . . native . . . . . 5992 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'C-terminal domain of human centrin 2-Ca2+ - P1-XPC Peptide Complex' system 5992 1 'SC-CEN2-P1-XPC complex' abbreviation 5992 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SC-CEN2 _Entity.Sf_category entity _Entity.Sf_framecode SC-CEN2 _Entity.Entry_ID 5992 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C-terminal domain of human centrin 2' _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 ; TQKMSEKDTKEEILKAFKLF DDDETGKISFKNLKRVAKEL GENLTDEELQEMIDEADRDG DGEVSEQEFLRIMKKTSLY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2A4J . "Solution Structure Of The C-Terminal Domain (T94-Y172) Of The Human Centrin 2 In Complex With A 17 Residues Peptide (P1-Xpc) Fr" . . . . . 100.00 17 100.00 100.00 7.74e-01 . . . . 5992 1 2 no PDB 2GGM . "Human Centrin 2 Xeroderma Pigmentosum Group C Protein Complex" . . . . . 100.00 17 100.00 100.00 7.74e-01 . . . . 5992 1 3 no PDB 2OBH . "Centrin-Xpc Peptide" . . . . . 100.00 18 100.00 100.00 7.61e-01 . . . . 5992 1 4 no DBJ BAA04651 . "XP-C repair complementing protein (p125) [Homo sapiens]" . . . . . 100.00 940 100.00 100.00 6.32e-01 . . . . 5992 1 5 no DBJ BAD96564 . "xeroderma pigmentosum, complementation group C variant [Homo sapiens]" . . . . . 100.00 872 100.00 100.00 4.66e-01 . . . . 5992 1 6 no DBJ BAF82450 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 940 100.00 100.00 5.97e-01 . . . . 5992 1 7 no DBJ BAG58555 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 903 100.00 100.00 7.09e-01 . . . . 5992 1 8 no EMBL CAA46158 . "Xeroderma Pigmentosum Group C Complementing factor [Homo sapiens]" . . . . . 100.00 823 100.00 100.00 4.44e-01 . . . . 5992 1 9 no EMBL CAH90958 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 911 100.00 100.00 5.56e-01 . . . . 5992 1 10 no GB AAF87574 . "xeroderma pigmentosum group C protein [Homo sapiens]" . . . . . 100.00 940 100.00 100.00 6.32e-01 . . . . 5992 1 11 no GB AAH16620 . "Xeroderma pigmentosum, complementation group C [Homo sapiens]" . . . . . 100.00 940 100.00 100.00 6.38e-01 . . . . 5992 1 12 no GB AAM77801 . "xeroderma pigmentosum, complementation group C [Homo sapiens]" . . . . . 100.00 940 100.00 100.00 6.38e-01 . . . . 5992 1 13 no GB ADI50189 . "xeroderma pigmentosum complementation group C [Homo sapiens]" . . . . . 100.00 940 100.00 100.00 5.59e-01 . . . . 5992 1 14 no GB AHW56602 . "xeroderma pigmentosum, complementation group C isoform A, partial [Homo sapiens]" . . . . . 100.00 940 100.00 100.00 5.91e-01 . . . . 5992 1 15 no PRF 1817398A . "DNA repair enzyme" . . . . . 100.00 823 100.00 100.00 3.81e-01 . . . . 5992 1 16 no REF NP_004619 . "DNA repair protein complementing XP-C cells [Homo sapiens]" . . . . . 100.00 940 100.00 100.00 5.91e-01 . . . . 5992 1 17 no REF XP_001091593 . "PREDICTED: DNA repair protein complementing XP-C cells isoform 1 [Macaca mulatta]" . . . . . 100.00 940 100.00 100.00 5.59e-01 . . . . 5992 1 18 no REF XP_001091951 . "PREDICTED: DNA repair protein complementing XP-C cells isoform 3 [Macaca mulatta]" . . . . . 100.00 903 100.00 100.00 6.64e-01 . . . . 5992 1 19 no REF XP_001092063 . "PREDICTED: DNA repair protein complementing XP-C cells isoform 4 [Macaca mulatta]" . . . . . 100.00 940 100.00 100.00 5.59e-01 . . . . 5992 1 20 no REF XP_002798747 . "PREDICTED: DNA repair protein complementing XP-C cells [Macaca mulatta]" . . . . . 100.00 903 100.00 100.00 6.64e-01 . . . . 5992 1 21 no SP Q01831 . "RecName: Full=DNA repair protein complementing XP-C cells; AltName: Full=Xeroderma pigmentosum group C-complementing protein; A" . . . . . 100.00 940 100.00 100.00 5.91e-01 . . . . 5992 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C-terminal domain of human centrin 2' common 5992 1 SC-CEN2 abbreviation 5992 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 94 THR . 5992 1 2 95 GLN . 5992 1 3 96 LYS . 5992 1 4 97 MET . 5992 1 5 98 SER . 5992 1 6 99 GLU . 5992 1 7 100 LYS . 5992 1 8 101 ASP . 5992 1 9 102 THR . 5992 1 10 103 LYS . 5992 1 11 104 GLU . 5992 1 12 105 GLU . 5992 1 13 106 ILE . 5992 1 14 107 LEU . 5992 1 15 108 LYS . 5992 1 16 109 ALA . 5992 1 17 110 PHE . 5992 1 18 111 LYS . 5992 1 19 112 LEU . 5992 1 20 113 PHE . 5992 1 21 114 ASP . 5992 1 22 115 ASP . 5992 1 23 116 ASP . 5992 1 24 117 GLU . 5992 1 25 118 THR . 5992 1 26 119 GLY . 5992 1 27 120 LYS . 5992 1 28 121 ILE . 5992 1 29 122 SER . 5992 1 30 123 PHE . 5992 1 31 124 LYS . 5992 1 32 125 ASN . 5992 1 33 126 LEU . 5992 1 34 127 LYS . 5992 1 35 128 ARG . 5992 1 36 129 VAL . 5992 1 37 130 ALA . 5992 1 38 131 LYS . 5992 1 39 132 GLU . 5992 1 40 133 LEU . 5992 1 41 134 GLY . 5992 1 42 135 GLU . 5992 1 43 136 ASN . 5992 1 44 137 LEU . 5992 1 45 138 THR . 5992 1 46 139 ASP . 5992 1 47 140 GLU . 5992 1 48 141 GLU . 5992 1 49 142 LEU . 5992 1 50 143 GLN . 5992 1 51 144 GLU . 5992 1 52 145 MET . 5992 1 53 146 ILE . 5992 1 54 147 ASP . 5992 1 55 148 GLU . 5992 1 56 149 ALA . 5992 1 57 150 ASP . 5992 1 58 151 ARG . 5992 1 59 152 ASP . 5992 1 60 153 GLY . 5992 1 61 154 ASP . 5992 1 62 155 GLY . 5992 1 63 156 GLU . 5992 1 64 157 VAL . 5992 1 65 158 SER . 5992 1 66 159 GLU . 5992 1 67 160 GLN . 5992 1 68 161 GLU . 5992 1 69 162 PHE . 5992 1 70 163 LEU . 5992 1 71 164 ARG . 5992 1 72 165 ILE . 5992 1 73 166 MET . 5992 1 74 167 LYS . 5992 1 75 168 LYS . 5992 1 76 169 THR . 5992 1 77 170 SER . 5992 1 78 171 LEU . 5992 1 79 172 TYR . 5992 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 . THR 1 1 5992 1 . GLN 2 2 5992 1 . LYS 3 3 5992 1 . MET 4 4 5992 1 . SER 5 5 5992 1 . GLU 6 6 5992 1 . LYS 7 7 5992 1 . ASP 8 8 5992 1 . THR 9 9 5992 1 . LYS 10 10 5992 1 . GLU 11 11 5992 1 . GLU 12 12 5992 1 . ILE 13 13 5992 1 . LEU 14 14 5992 1 . LYS 15 15 5992 1 . ALA 16 16 5992 1 . PHE 17 17 5992 1 . LYS 18 18 5992 1 . LEU 19 19 5992 1 . PHE 20 20 5992 1 . ASP 21 21 5992 1 . ASP 22 22 5992 1 . ASP 23 23 5992 1 . GLU 24 24 5992 1 . THR 25 25 5992 1 . GLY 26 26 5992 1 . LYS 27 27 5992 1 . ILE 28 28 5992 1 . SER 29 29 5992 1 . PHE 30 30 5992 1 . LYS 31 31 5992 1 . ASN 32 32 5992 1 . LEU 33 33 5992 1 . LYS 34 34 5992 1 . ARG 35 35 5992 1 . VAL 36 36 5992 1 . ALA 37 37 5992 1 . LYS 38 38 5992 1 . GLU 39 39 5992 1 . LEU 40 40 5992 1 . GLY 41 41 5992 1 . GLU 42 42 5992 1 . ASN 43 43 5992 1 . LEU 44 44 5992 1 . THR 45 45 5992 1 . ASP 46 46 5992 1 . GLU 47 47 5992 1 . GLU 48 48 5992 1 . LEU 49 49 5992 1 . GLN 50 50 5992 1 . GLU 51 51 5992 1 . MET 52 52 5992 1 . ILE 53 53 5992 1 . ASP 54 54 5992 1 . GLU 55 55 5992 1 . ALA 56 56 5992 1 . ASP 57 57 5992 1 . ARG 58 58 5992 1 . ASP 59 59 5992 1 . GLY 60 60 5992 1 . ASP 61 61 5992 1 . GLY 62 62 5992 1 . GLU 63 63 5992 1 . VAL 64 64 5992 1 . SER 65 65 5992 1 . GLU 66 66 5992 1 . GLN 67 67 5992 1 . GLU 68 68 5992 1 . PHE 69 69 5992 1 . LEU 70 70 5992 1 . ARG 71 71 5992 1 . ILE 72 72 5992 1 . MET 73 73 5992 1 . LYS 74 74 5992 1 . LYS 75 75 5992 1 . THR 76 76 5992 1 . SER 77 77 5992 1 . LEU 78 78 5992 1 . TYR 79 79 5992 1 stop_ save_ save_P1-XPC _Entity.Sf_category entity _Entity.Sf_framecode P1-XPC _Entity.Entry_ID 5992 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'P1-XPC peptide' _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 NWKLLAKGLLIRERLKR _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 17 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT Q01831 . 'DNA-repair protein complementing XP-C cells (Xeroderma pigmentosum group C-complementing protein) (p125)' . . . . . 100.00 940 100.00 100.00 7.34e-01 . . . . 5992 2 . . REF XP_001092063 . 'PREDICTED: xeroderma pigmentosum, complementation group C isoform 4 [Macaca mulatta]' . . . . . 100.00 940 100.00 100.00 6.58e-01 . . . . 5992 2 . . REF XP_001091951 . 'PREDICTED: xeroderma pigmentosum, complementation group C isoform 3 [Macaca mulatta]' . . . . . 100.00 939 100.00 100.00 6.58e-01 . . . . 5992 2 . . REF XP_001091827 . 'PREDICTED: xeroderma pigmentosum, complementation group C isoform 2 [Macaca mulatta]' . . . . . 100.00 823 100.00 100.00 5.52e-01 . . . . 5992 2 . . REF NP_004619 . 'xeroderma pigmentosum, complementation group C [Homo sapiens]' . . . . . 100.00 940 100.00 100.00 7.40e-01 . . . . 5992 2 . . PRF 1817398A . 'DNA repair enzyme' . . . . . 100.00 823 100.00 100.00 4.79e-01 . . . . 5992 2 . . GenBank EAW64189 . 'xeroderma pigmentosum, complementation group C, isoform CRA_a [Homo sapiens]' . . . . . 100.00 940 100.00 100.00 7.40e-01 . . . . 5992 2 . . GenBank EAW64188 . 'xeroderma pigmentosum, complementation group C, isoform CRA_a [Homo sapiens]' . . . . . 100.00 940 100.00 100.00 7.40e-01 . . . . 5992 2 . . GenBank AAM77801 . 'xeroderma pigmentosum, complementation group C [Homo sapiens]' . . . . . 100.00 940 100.00 100.00 7.40e-01 . . . . 5992 2 . . GenBank AAH16620 . 'Xeroderma pigmentosum, complementation group C [Homo sapiens]' . . . . . 100.00 940 100.00 100.00 7.40e-01 . . . . 5992 2 . . GenBank AAF87574 . 'xeroderma pigmentosum group C protein [Homo sapiens]' . . . . . 100.00 940 100.00 100.00 7.34e-01 . . . . 5992 2 . . EMBL CAH90958 . 'hypothetical protein [Pongo abelii]' . . . . . 100.00 911 100.00 100.00 6.58e-01 . . . . 5992 2 . . EMBL CAA46158 . 'Xeroderma Pigmentosum Group C Complementing factor [Homo sapiens]' . . . . . 100.00 823 100.00 100.00 5.48e-01 . . . . 5992 2 . . DBJ BAG58555 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 903 100.00 100.00 8.18e-01 . . . . 5992 2 . . DBJ BAF82450 . 'unnamed protein product [Homo sapiens]' . . . . . 100.00 940 100.00 100.00 6.98e-01 . . . . 5992 2 . . DBJ BAD96564 . 'xeroderma pigmentosum, complementation group C variant [Homo sapiens]' . . . . . 100.00 872 100.00 100.00 5.66e-01 . . . . 5992 2 . . DBJ BAA04651 . 'XP-C repair complementing protein (p125) [Homo sapiens]' . . . . . 100.00 940 100.00 100.00 7.34e-01 . . . . 5992 2 . . PDB 2OBH . 'Centrin-Xpc Peptide' . . . . . 100.00 18 100.00 100.00 5.17e+00 . . . . 5992 2 . . PDB 2GGM . 'Human Centrin 2 Xeroderma Pigmentosum Group C Protein Complex' . . . . . 100.00 17 100.00 100.00 5.17e+00 . . . . 5992 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'P1-XPC peptide' common 5992 2 P1-XPC abbreviation 5992 2 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 . ASN . 5992 2 2 . TRP . 5992 2 3 . LYS . 5992 2 4 . LEU . 5992 2 5 . LEU . 5992 2 6 . ALA . 5992 2 7 . LYS . 5992 2 8 . GLY . 5992 2 9 . LEU . 5992 2 10 . LEU . 5992 2 11 . ILE . 5992 2 12 . ARG . 5992 2 13 . GLU . 5992 2 14 . ARG . 5992 2 15 . LEU . 5992 2 16 . LYS . 5992 2 17 . ARG . 5992 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASN 1 1 5992 2 . TRP 2 2 5992 2 . LYS 3 3 5992 2 . LEU 4 4 5992 2 . LEU 5 5 5992 2 . ALA 6 6 5992 2 . LYS 7 7 5992 2 . GLY 8 8 5992 2 . LEU 9 9 5992 2 . LEU 10 10 5992 2 . ILE 11 11 5992 2 . ARG 12 12 5992 2 . GLU 13 13 5992 2 . ARG 14 14 5992 2 . LEU 15 15 5992 2 . LYS 16 16 5992 2 . ARG 17 17 5992 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 5992 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . 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 . CA . 5992 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5992 _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 $SC-CEN2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5992 1 2 2 $P1-XPC . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5992 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 5992 _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 $SC-CEN2 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 5992 1 2 2 $P1-XPC . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 5992 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 5992 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 10:43:03 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Ca+2] SMILES ACDLabs 10.04 5992 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 5992 CA [Ca++] SMILES CACTVS 3.341 5992 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5992 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 5992 CA InChI=1S/Ca/q+2 InChI InChI 1.03 5992 CA BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 5992 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 5992 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5992 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5992 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 5992 _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 'C-terminal domain of human centrin 2' . . . 1 $SC-CEN2 . . 1.2 . . mM . . . . 5992 1 2 'P1-XPC peptide' . . . 2 $P1-XPC . . 1.2 . . mM . . . . 5992 1 3 H2O . . . . . . . 93 . . % . . . . 5992 1 4 D2O . . . . . . . 7 . . % . . . . 5992 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 5992 _Sample.ID 2 _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 'C-terminal domain of human centrin 2' [U-15N] . . 1 $SC-CEN2 . . 1.2 . . mM . . . . 5992 2 2 'P1-XPC peptide' [U-15N] . . 2 $P1-XPC . . 1.2 . . mM . . . . 5992 2 3 H2O . . . . . . . 93 . . % . . . . 5992 2 4 D2O . . . . . . . 7 . . % . . . . 5992 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 5992 _Sample.ID 3 _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 'C-terminal domain of human centrin 2' '[U-13C; U-15N]' . . 1 $SC-CEN2 . . 1.2 . . mM . . . . 5992 3 2 'P1-XPC peptide' '[U-13C; U-15N]' . . 2 $P1-XPC . . 1.2 . . mM . . . . 5992 3 3 H2O . . . . . . . 93 . . % . . . . 5992 3 4 D2O . . . . . . . 7 . . % . . . . 5992 3 stop_ save_ ####################### # Sample conditions # ####################### save_Sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Sample_conditions_one _Sample_condition_list.Entry_ID 5992 _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 6.5 0.2 n/a 5992 1 temperature 308 1 K 5992 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5992 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5992 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian Unity . 500 . . . 5992 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5992 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H COSY' . . . . . . . . . . . . . . . . 1 $Sample_conditions_one . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5992 1 2 TOCSY . . . . . . . . . . . . . . . . 1 $Sample_conditions_one . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5992 1 3 NOESY . . . . . . . . . . . . . . . . 1 $Sample_conditions_one . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5992 1 4 '1H-15N 2D HSQC' . . . . . . . . . . . . . . . . 1 $Sample_conditions_one . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5992 1 5 '3D NOESY-HSQC' . . . . . . . . . . . . . . . . 1 $Sample_conditions_one . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5992 1 6 '3D TOCSY-HSQC' . . . . . . . . . . . . . . . . 1 $Sample_conditions_one . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5992 1 7 '3D HNCA' . . . . . . . . . . . . . . . . 1 $Sample_conditions_one . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5992 1 8 HN(CO)CA . . . . . . . . . . . . . . . . 1 $Sample_conditions_one . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5992 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $Sample_conditions_one . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5992 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5992 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H COSY' _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 $NMR_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_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5992 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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 $NMR_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_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5992 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name NOESY _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 $NMR_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_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5992 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N 2D 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 $NMR_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_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5992 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D NOESY-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 $NMR_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_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5992 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D TOCSY-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 $NMR_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_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5992 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HNCA' _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 $NMR_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_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5992 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HN(CO)CA _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 $NMR_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_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5992 _NMR_spec_expt.ID 9 _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 $NMR_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_chem_shift_reference_SC-CEN2-P1-XPC _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_SC-CEN2-P1-XPC _Chem_shift_reference.Entry_ID 5992 _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 H 1 H2O protons . . . . ppm 4.68 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5992 1 N 15 NH3 nitrogen . . . . ppm 0.0 external indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5992 1 C 13 TMS carbons . . . . ppm 67.8 external indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5992 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_chemical_shift_assignment_SC-CEN2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_SC-CEN2 _Assigned_chem_shift_list.Entry_ID 5992 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_SC-CEN2-P1-XPC _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_one . 5992 1 . . 2 $sample_two . 5992 1 . . 3 $sample_three . 5992 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 THR HA H 1 3.75 0.01 . 1 . . . . . . . . 5992 1 2 . 1 1 1 1 THR HB H 1 4.14 0.01 . 1 . . . . . . . . 5992 1 3 . 1 1 1 1 THR HG21 H 1 1.30 0.01 . 1 . . . . . . . . 5992 1 4 . 1 1 1 1 THR HG22 H 1 1.30 0.01 . 1 . . . . . . . . 5992 1 5 . 1 1 1 1 THR HG23 H 1 1.30 0.01 . 1 . . . . . . . . 5992 1 6 . 1 1 1 1 THR CA C 13 59.4 0.1 . 1 . . . . . . . . 5992 1 7 . 1 1 1 1 THR CB C 13 67.2 0.1 . 1 . . . . . . . . 5992 1 8 . 1 1 1 1 THR CG2 C 13 19.54 0.1 . 1 . . . . . . . . 5992 1 9 . 1 1 2 2 GLN HB2 H 1 1.82 0.01 . 1 . . . . . . . . 5992 1 10 . 1 1 2 2 GLN HB3 H 1 1.82 0.01 . 1 . . . . . . . . 5992 1 11 . 1 1 2 2 GLN HG2 H 1 2.38 0.01 . 1 . . . . . . . . 5992 1 12 . 1 1 2 2 GLN HG3 H 1 2.38 0.01 . 1 . . . . . . . . 5992 1 13 . 1 1 2 2 GLN HE21 H 1 7.51 0.01 . 2 . . . . . . . . 5992 1 14 . 1 1 2 2 GLN HE22 H 1 6.85 0.01 . 2 . . . . . . . . 5992 1 15 . 1 1 2 2 GLN NE2 N 15 112.9 0.1 . 1 . . . . . . . . 5992 1 16 . 1 1 3 3 LYS H H 1 8.46 0.01 . 1 . . . . . . . . 5992 1 17 . 1 1 3 3 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 5992 1 18 . 1 1 3 3 LYS HB2 H 1 1.82 0.01 . 1 . . . . . . . . 5992 1 19 . 1 1 3 3 LYS HB3 H 1 1.82 0.01 . 1 . . . . . . . . 5992 1 20 . 1 1 3 3 LYS HG2 H 1 1.44 0.01 . 1 . . . . . . . . 5992 1 21 . 1 1 3 3 LYS HG3 H 1 1.44 0.01 . 1 . . . . . . . . 5992 1 22 . 1 1 3 3 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 5992 1 23 . 1 1 3 3 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 5992 1 24 . 1 1 3 3 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5992 1 25 . 1 1 3 3 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5992 1 26 . 1 1 3 3 LYS N N 15 124.6 0.1 . 1 . . . . . . . . 5992 1 27 . 1 1 3 3 LYS CA C 13 54.7 0.1 . 1 . . . . . . . . 5992 1 28 . 1 1 3 3 LYS CB C 13 30.7 0.1 . 1 . . . . . . . . 5992 1 29 . 1 1 3 3 LYS CG C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 30 . 1 1 3 3 LYS CD C 13 34.4 0.1 . 1 . . . . . . . . 5992 1 31 . 1 1 3 3 LYS CE C 13 41.5 0.1 . 1 . . . . . . . . 5992 1 32 . 1 1 4 4 MET H H 1 8.42 0.01 . 1 . . . . . . . . 5992 1 33 . 1 1 4 4 MET HA H 1 4.53 0.01 . 1 . . . . . . . . 5992 1 34 . 1 1 4 4 MET HB2 H 1 2.05 0.01 . 1 . . . . . . . . 5992 1 35 . 1 1 4 4 MET HB3 H 1 2.05 0.01 . 1 . . . . . . . . 5992 1 36 . 1 1 4 4 MET HG2 H 1 2.56 0.01 . 2 . . . . . . . . 5992 1 37 . 1 1 4 4 MET HG3 H 1 2.60 0.01 . 2 . . . . . . . . 5992 1 38 . 1 1 4 4 MET HE1 H 1 2.10 0.01 . 1 . . . . . . . . 5992 1 39 . 1 1 4 4 MET HE2 H 1 2.10 0.01 . 1 . . . . . . . . 5992 1 40 . 1 1 4 4 MET HE3 H 1 2.10 0.01 . 1 . . . . . . . . 5992 1 41 . 1 1 4 4 MET N N 15 123.2 0.1 . 1 . . . . . . . . 5992 1 42 . 1 1 4 4 MET CA C 13 54.3 0.1 . 1 . . . . . . . . 5992 1 43 . 1 1 4 4 MET CB C 13 31.8 0.1 . 1 . . . . . . . . 5992 1 44 . 1 1 4 4 MET CG C 13 30.3 0.1 . 1 . . . . . . . . 5992 1 45 . 1 1 5 5 SER H H 1 8.59 0.01 . 1 . . . . . . . . 5992 1 46 . 1 1 5 5 SER HA H 1 4.48 0.01 . 1 . . . . . . . . 5992 1 47 . 1 1 5 5 SER HB2 H 1 4.06 0.01 . 2 . . . . . . . . 5992 1 48 . 1 1 5 5 SER HB3 H 1 3.92 0.01 . 2 . . . . . . . . 5992 1 49 . 1 1 5 5 SER N N 15 118.4 0.1 . 1 . . . . . . . . 5992 1 50 . 1 1 5 5 SER CA C 13 56.7 0.1 . 1 . . . . . . . . 5992 1 51 . 1 1 5 5 SER CB C 13 61.9 0.1 . 1 . . . . . . . . 5992 1 52 . 1 1 6 6 GLU H H 1 8.66 0.01 . 1 . . . . . . . . 5992 1 53 . 1 1 6 6 GLU HA H 1 4.20 0.01 . 1 . . . . . . . . 5992 1 54 . 1 1 6 6 GLU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5992 1 55 . 1 1 6 6 GLU HB3 H 1 2.04 0.01 . 1 . . . . . . . . 5992 1 56 . 1 1 6 6 GLU HG2 H 1 2.31 0.01 . 1 . . . . . . . . 5992 1 57 . 1 1 6 6 GLU HG3 H 1 2.31 0.01 . 1 . . . . . . . . 5992 1 58 . 1 1 6 6 GLU N N 15 124.3 0.1 . 1 . . . . . . . . 5992 1 59 . 1 1 6 6 GLU CA C 13 56.2 0.1 . 1 . . . . . . . . 5992 1 60 . 1 1 6 6 GLU CB C 13 27.3 0.1 . 1 . . . . . . . . 5992 1 61 . 1 1 6 6 GLU CG C 13 35.5 0.1 . 1 . . . . . . . . 5992 1 62 . 1 1 7 7 LYS H H 1 8.22 0.01 . 1 . . . . . . . . 5992 1 63 . 1 1 7 7 LYS HA H 1 4.23 0.01 . 1 . . . . . . . . 5992 1 64 . 1 1 7 7 LYS HB2 H 1 1.79 0.01 . 1 . . . . . . . . 5992 1 65 . 1 1 7 7 LYS HB3 H 1 1.79 0.01 . 1 . . . . . . . . 5992 1 66 . 1 1 7 7 LYS HG2 H 1 1.44 0.01 . 1 . . . . . . . . 5992 1 67 . 1 1 7 7 LYS HG3 H 1 1.44 0.01 . 1 . . . . . . . . 5992 1 68 . 1 1 7 7 LYS HD2 H 1 1.65 0.01 . 1 . . . . . . . . 5992 1 69 . 1 1 7 7 LYS HD3 H 1 1.65 0.01 . 1 . . . . . . . . 5992 1 70 . 1 1 7 7 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5992 1 71 . 1 1 7 7 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5992 1 72 . 1 1 7 7 LYS N N 15 121.8 0.1 . 1 . . . . . . . . 5992 1 73 . 1 1 7 7 LYS CA C 13 55.9 0.1 . 1 . . . . . . . . 5992 1 74 . 1 1 7 7 LYS CB C 13 31.4 0.1 . 1 . . . . . . . . 5992 1 75 . 1 1 7 7 LYS CG C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 76 . 1 1 7 7 LYS CD C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 77 . 1 1 7 7 LYS CE C 13 39.6 0.1 . 1 . . . . . . . . 5992 1 78 . 1 1 8 8 ASP H H 1 8.15 0.01 . 1 . . . . . . . . 5992 1 79 . 1 1 8 8 ASP HA H 1 4.61 0.01 . 1 . . . . . . . . 5992 1 80 . 1 1 8 8 ASP HB2 H 1 2.72 0.01 . 1 . . . . . . . . 5992 1 81 . 1 1 8 8 ASP HB3 H 1 2.72 0.01 . 1 . . . . . . . . 5992 1 82 . 1 1 8 8 ASP N N 15 121.8 0.1 . 1 . . . . . . . . 5992 1 83 . 1 1 8 8 ASP CA C 13 53.5 0.1 . 1 . . . . . . . . 5992 1 84 . 1 1 8 8 ASP CB C 13 38.1 0.1 . 1 . . . . . . . . 5992 1 85 . 1 1 9 9 THR H H 1 8.21 0.01 . 1 . . . . . . . . 5992 1 86 . 1 1 9 9 THR HA H 1 4.19 0.01 . 1 . . . . . . . . 5992 1 87 . 1 1 9 9 THR HB H 1 4.36 0.01 . 1 . . . . . . . . 5992 1 88 . 1 1 9 9 THR HG21 H 1 1.26 0.01 . 1 . . . . . . . . 5992 1 89 . 1 1 9 9 THR HG22 H 1 1.26 0.01 . 1 . . . . . . . . 5992 1 90 . 1 1 9 9 THR HG23 H 1 1.26 0.01 . 1 . . . . . . . . 5992 1 91 . 1 1 9 9 THR N N 15 116.4 0.1 . 1 . . . . . . . . 5992 1 92 . 1 1 9 9 THR CA C 13 62.2 0.1 . 1 . . . . . . . . 5992 1 93 . 1 1 9 9 THR CB C 13 67.2 0.1 . 1 . . . . . . . . 5992 1 94 . 1 1 9 9 THR CG2 C 13 19.5 0.1 . 1 . . . . . . . . 5992 1 95 . 1 1 10 10 LYS H H 1 8.26 0.01 . 1 . . . . . . . . 5992 1 96 . 1 1 10 10 LYS HA H 1 3.92 0.01 . 1 . . . . . . . . 5992 1 97 . 1 1 10 10 LYS HB2 H 1 1.93 0.01 . 1 . . . . . . . . 5992 1 98 . 1 1 10 10 LYS HB3 H 1 1.93 0.01 . 1 . . . . . . . . 5992 1 99 . 1 1 10 10 LYS HG2 H 1 1.41 0.01 . 1 . . . . . . . . 5992 1 100 . 1 1 10 10 LYS HG3 H 1 1.41 0.01 . 1 . . . . . . . . 5992 1 101 . 1 1 10 10 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 5992 1 102 . 1 1 10 10 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 5992 1 103 . 1 1 10 10 LYS HE2 H 1 2.94 0.01 . 1 . . . . . . . . 5992 1 104 . 1 1 10 10 LYS HE3 H 1 2.94 0.01 . 1 . . . . . . . . 5992 1 105 . 1 1 10 10 LYS N N 15 123.0 0.1 . 1 . . . . . . . . 5992 1 106 . 1 1 10 10 LYS CA C 13 58.0 0.1 . 1 . . . . . . . . 5992 1 107 . 1 1 10 10 LYS CB C 13 29.9 0.1 . 1 . . . . . . . . 5992 1 108 . 1 1 10 10 LYS CG C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 109 . 1 1 10 10 LYS CD C 13 34.4 0.1 . 1 . . . . . . . . 5992 1 110 . 1 1 10 10 LYS CE C 13 39.2 0.1 . 1 . . . . . . . . 5992 1 111 . 1 1 11 11 GLU H H 1 8.22 0.01 . 1 . . . . . . . . 5992 1 112 . 1 1 11 11 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 5992 1 113 . 1 1 11 11 GLU HB2 H 1 2.13 0.01 . 2 . . . . . . . . 5992 1 114 . 1 1 11 11 GLU HB3 H 1 2.30 0.01 . 2 . . . . . . . . 5992 1 115 . 1 1 11 11 GLU HG2 H 1 2.34 0.01 . 2 . . . . . . . . 5992 1 116 . 1 1 11 11 GLU HG3 H 1 2.41 0.01 . 2 . . . . . . . . 5992 1 117 . 1 1 11 11 GLU N N 15 118.4 0.1 . 1 . . . . . . . . 5992 1 118 . 1 1 11 11 GLU CA C 13 57.5 0.1 . 1 . . . . . . . . 5992 1 119 . 1 1 11 11 GLU CB C 13 26.2 0.1 . 1 . . . . . . . . 5992 1 120 . 1 1 11 11 GLU CG C 13 31.4 0.1 . 1 . . . . . . . . 5992 1 121 . 1 1 12 12 GLU H H 1 8.02 0.01 . 1 . . . . . . . . 5992 1 122 . 1 1 12 12 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . 5992 1 123 . 1 1 12 12 GLU HB2 H 1 2.17 0.01 . 1 . . . . . . . . 5992 1 124 . 1 1 12 12 GLU HB3 H 1 2.17 0.01 . 1 . . . . . . . . 5992 1 125 . 1 1 12 12 GLU HG2 H 1 2.35 0.01 . 1 . . . . . . . . 5992 1 126 . 1 1 12 12 GLU HG3 H 1 2.35 0.01 . 1 . . . . . . . . 5992 1 127 . 1 1 12 12 GLU N N 15 121.0 0.1 . 1 . . . . . . . . 5992 1 128 . 1 1 12 12 GLU CA C 13 57.5 0.1 . 1 . . . . . . . . 5992 1 129 . 1 1 12 12 GLU CB C 13 34.4 0.1 . 1 . . . . . . . . 5992 1 130 . 1 1 12 12 GLU CG C 13 35.5 0.1 . 1 . . . . . . . . 5992 1 131 . 1 1 13 13 ILE H H 1 8.02 0.01 . 1 . . . . . . . . 5992 1 132 . 1 1 13 13 ILE HA H 1 3.83 0.01 . 1 . . . . . . . . 5992 1 133 . 1 1 13 13 ILE HB H 1 2.02 0.01 . 1 . . . . . . . . 5992 1 134 . 1 1 13 13 ILE HG21 H 1 0.94 0.01 . 1 . . . . . . . . 5992 1 135 . 1 1 13 13 ILE HG22 H 1 0.94 0.01 . 1 . . . . . . . . 5992 1 136 . 1 1 13 13 ILE HG23 H 1 0.94 0.01 . 1 . . . . . . . . 5992 1 137 . 1 1 13 13 ILE HG12 H 1 1.78 0.01 . 2 . . . . . . . . 5992 1 138 . 1 1 13 13 ILE HG13 H 1 0.98 0.01 . 2 . . . . . . . . 5992 1 139 . 1 1 13 13 ILE HD11 H 1 0.75 0.01 . 1 . . . . . . . . 5992 1 140 . 1 1 13 13 ILE HD12 H 1 0.75 0.01 . 1 . . . . . . . . 5992 1 141 . 1 1 13 13 ILE HD13 H 1 0.75 0.01 . 1 . . . . . . . . 5992 1 142 . 1 1 13 13 ILE N N 15 120.6 0.1 . 1 . . . . . . . . 5992 1 143 . 1 1 13 13 ILE CA C 13 63.4 0.1 . 1 . . . . . . . . 5992 1 144 . 1 1 13 13 ILE CB C 13 35.9 0.1 . 1 . . . . . . . . 5992 1 145 . 1 1 13 13 ILE CG1 C 13 27.3 0.1 . 1 . . . . . . . . 5992 1 146 . 1 1 13 13 ILE CG2 C 13 17.1 0.1 . 1 . . . . . . . . 5992 1 147 . 1 1 13 13 ILE CD1 C 13 11.3 0.1 . 1 . . . . . . . . 5992 1 148 . 1 1 14 14 LEU H H 1 8.33 0.01 . 1 . . . . . . . . 5992 1 149 . 1 1 14 14 LEU HA H 1 4.28 0.01 . 1 . . . . . . . . 5992 1 150 . 1 1 14 14 LEU HB2 H 1 1.94 0.01 . 2 . . . . . . . . 5992 1 151 . 1 1 14 14 LEU HB3 H 1 1.61 0.01 . 2 . . . . . . . . 5992 1 152 . 1 1 14 14 LEU HG H 1 1.85 0.01 . 1 . . . . . . . . 5992 1 153 . 1 1 14 14 LEU HD11 H 1 0.92 0.01 . 2 . . . . . . . . 5992 1 154 . 1 1 14 14 LEU HD12 H 1 0.92 0.01 . 2 . . . . . . . . 5992 1 155 . 1 1 14 14 LEU HD13 H 1 0.92 0.01 . 2 . . . . . . . . 5992 1 156 . 1 1 14 14 LEU HD21 H 1 0.82 0.01 . 2 . . . . . . . . 5992 1 157 . 1 1 14 14 LEU HD22 H 1 0.82 0.01 . 2 . . . . . . . . 5992 1 158 . 1 1 14 14 LEU HD23 H 1 0.82 0.01 . 2 . . . . . . . . 5992 1 159 . 1 1 14 14 LEU N N 15 120.6 0.1 . 1 . . . . . . . . 5992 1 160 . 1 1 14 14 LEU CA C 13 56.0 0.1 . 1 . . . . . . . . 5992 1 161 . 1 1 14 14 LEU CB C 13 38.9 0.1 . 1 . . . . . . . . 5992 1 162 . 1 1 14 14 LEU CG C 13 25.5 0.1 . 1 . . . . . . . . 5992 1 163 . 1 1 14 14 LEU CD1 C 13 20.6 0.1 . 1 . . . . . . . . 5992 1 164 . 1 1 14 14 LEU CD2 C 13 23.6 0.1 . 1 . . . . . . . . 5992 1 165 . 1 1 15 15 LYS H H 1 7.97 0.01 . 1 . . . . . . . . 5992 1 166 . 1 1 15 15 LYS HA H 1 4.12 0.01 . 1 . . . . . . . . 5992 1 167 . 1 1 15 15 LYS HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5992 1 168 . 1 1 15 15 LYS HB3 H 1 2.04 0.01 . 1 . . . . . . . . 5992 1 169 . 1 1 15 15 LYS HG2 H 1 1.63 0.01 . 2 . . . . . . . . 5992 1 170 . 1 1 15 15 LYS HG3 H 1 1.35 0.01 . 2 . . . . . . . . 5992 1 171 . 1 1 15 15 LYS HD2 H 1 1.72 0.01 . 1 . . . . . . . . 5992 1 172 . 1 1 15 15 LYS HD3 H 1 1.72 0.01 . 1 . . . . . . . . 5992 1 173 . 1 1 15 15 LYS HE2 H 1 2.94 0.01 . 1 . . . . . . . . 5992 1 174 . 1 1 15 15 LYS HE3 H 1 2.94 0.01 . 1 . . . . . . . . 5992 1 175 . 1 1 15 15 LYS N N 15 121.7 0.1 . 1 . . . . . . . . 5992 1 176 . 1 1 15 15 LYS CA C 13 57.6 0.1 . 1 . . . . . . . . 5992 1 177 . 1 1 15 15 LYS CB C 13 29.9 0.1 . 1 . . . . . . . . 5992 1 178 . 1 1 15 15 LYS CG C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 179 . 1 1 15 15 LYS CD C 13 27.3 0.1 . 1 . . . . . . . . 5992 1 180 . 1 1 15 15 LYS CE C 13 41.4 0.1 . 1 . . . . . . . . 5992 1 181 . 1 1 16 16 ALA H H 1 8.16 0.01 . 1 . . . . . . . . 5992 1 182 . 1 1 16 16 ALA HA H 1 4.11 0.01 . 1 . . . . . . . . 5992 1 183 . 1 1 16 16 ALA HB1 H 1 1.90 0.01 . 1 . . . . . . . . 5992 1 184 . 1 1 16 16 ALA HB2 H 1 1.90 0.01 . 1 . . . . . . . . 5992 1 185 . 1 1 16 16 ALA HB3 H 1 1.90 0.01 . 1 . . . . . . . . 5992 1 186 . 1 1 16 16 ALA N N 15 121.2 0.1 . 1 . . . . . . . . 5992 1 187 . 1 1 16 16 ALA CA C 13 53.7 0.1 . 1 . . . . . . . . 5992 1 188 . 1 1 16 16 ALA CB C 13 15.4 0.1 . 1 . . . . . . . . 5992 1 189 . 1 1 17 17 PHE H H 1 8.33 0.01 . 1 . . . . . . . . 5992 1 190 . 1 1 17 17 PHE HA H 1 3.23 0.01 . 1 . . . . . . . . 5992 1 191 . 1 1 17 17 PHE HB2 H 1 3.36 0.01 . 1 . . . . . . . . 5992 1 192 . 1 1 17 17 PHE HB3 H 1 3.36 0.01 . 1 . . . . . . . . 5992 1 193 . 1 1 17 17 PHE HD1 H 1 6.63 0.01 . 1 . . . . . . . . 5992 1 194 . 1 1 17 17 PHE HD2 H 1 6.63 0.01 . 1 . . . . . . . . 5992 1 195 . 1 1 17 17 PHE HE1 H 1 7.02 0.01 . 1 . . . . . . . . 5992 1 196 . 1 1 17 17 PHE HE2 H 1 7.02 0.01 . 1 . . . . . . . . 5992 1 197 . 1 1 17 17 PHE HZ H 1 7.16 0.01 . 1 . . . . . . . . 5992 1 198 . 1 1 17 17 PHE N N 15 118.8 0.1 . 1 . . . . . . . . 5992 1 199 . 1 1 17 17 PHE CA C 13 54.0 0.1 . 1 . . . . . . . . 5992 1 200 . 1 1 17 17 PHE CB C 13 37.0 0.1 . 1 . . . . . . . . 5992 1 201 . 1 1 18 18 LYS H H 1 7.60 0.01 . 1 . . . . . . . . 5992 1 202 . 1 1 18 18 LYS HA H 1 3.98 0.01 . 1 . . . . . . . . 5992 1 203 . 1 1 18 18 LYS HB2 H 1 1.98 0.01 . 1 . . . . . . . . 5992 1 204 . 1 1 18 18 LYS HB3 H 1 1.98 0.01 . 1 . . . . . . . . 5992 1 205 . 1 1 18 18 LYS HG2 H 1 1.68 0.01 . 1 . . . . . . . . 5992 1 206 . 1 1 18 18 LYS HG3 H 1 1.68 0.01 . 1 . . . . . . . . 5992 1 207 . 1 1 18 18 LYS HD2 H 1 1.83 0.01 . 1 . . . . . . . . 5992 1 208 . 1 1 18 18 LYS HD3 H 1 1.83 0.01 . 1 . . . . . . . . 5992 1 209 . 1 1 18 18 LYS HE2 H 1 3.08 0.01 . 1 . . . . . . . . 5992 1 210 . 1 1 18 18 LYS HE3 H 1 3.08 0.01 . 1 . . . . . . . . 5992 1 211 . 1 1 18 18 LYS N N 15 116.4 0.1 . 1 . . . . . . . . 5992 1 212 . 1 1 18 18 LYS CA C 13 57.0 0.1 . 1 . . . . . . . . 5992 1 213 . 1 1 18 18 LYS CB C 13 30.3 0.1 . 1 . . . . . . . . 5992 1 214 . 1 1 18 18 LYS CG C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 215 . 1 1 18 18 LYS CD C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 216 . 1 1 18 18 LYS CE C 13 40.7 0.1 . 1 . . . . . . . . 5992 1 217 . 1 1 19 19 LEU H H 1 7.55 0.01 . 1 . . . . . . . . 5992 1 218 . 1 1 19 19 LEU HA H 1 4.07 0.01 . 1 . . . . . . . . 5992 1 219 . 1 1 19 19 LEU HB2 H 1 2.03 0.01 . 2 . . . . . . . . 5992 1 220 . 1 1 19 19 LEU HB3 H 1 1.30 0.01 . 2 . . . . . . . . 5992 1 221 . 1 1 19 19 LEU HG H 1 1.90 0.01 . 1 . . . . . . . . 5992 1 222 . 1 1 19 19 LEU HD11 H 1 0.82 0.01 . 2 . . . . . . . . 5992 1 223 . 1 1 19 19 LEU HD12 H 1 0.82 0.01 . 2 . . . . . . . . 5992 1 224 . 1 1 19 19 LEU HD13 H 1 0.82 0.01 . 2 . . . . . . . . 5992 1 225 . 1 1 19 19 LEU HD21 H 1 0.79 0.01 . 2 . . . . . . . . 5992 1 226 . 1 1 19 19 LEU HD22 H 1 0.79 0.01 . 2 . . . . . . . . 5992 1 227 . 1 1 19 19 LEU HD23 H 1 0.79 0.01 . 2 . . . . . . . . 5992 1 228 . 1 1 19 19 LEU N N 15 117.7 0.1 . 1 . . . . . . . . 5992 1 229 . 1 1 19 19 LEU CA C 13 54.7 0.1 . 1 . . . . . . . . 5992 1 230 . 1 1 19 19 LEU CB C 13 40.0 0.1 . 1 . . . . . . . . 5992 1 231 . 1 1 19 19 LEU CG C 13 24.7 0.1 . 1 . . . . . . . . 5992 1 232 . 1 1 19 19 LEU CD1 C 13 19.9 0.1 . 1 . . . . . . . . 5992 1 233 . 1 1 19 19 LEU CD2 C 13 23.6 0.1 . 1 . . . . . . . . 5992 1 234 . 1 1 20 20 PHE H H 1 7.77 0.01 . 1 . . . . . . . . 5992 1 235 . 1 1 20 20 PHE HA H 1 3.98 0.01 . 1 . . . . . . . . 5992 1 236 . 1 1 20 20 PHE HB2 H 1 2.92 0.01 . 2 . . . . . . . . 5992 1 237 . 1 1 20 20 PHE HB3 H 1 2.57 0.01 . 2 . . . . . . . . 5992 1 238 . 1 1 20 20 PHE HD1 H 1 7.23 0.01 . 1 . . . . . . . . 5992 1 239 . 1 1 20 20 PHE HD2 H 1 7.23 0.01 . 1 . . . . . . . . 5992 1 240 . 1 1 20 20 PHE HE1 H 1 7.47 0.01 . 1 . . . . . . . . 5992 1 241 . 1 1 20 20 PHE HE2 H 1 7.47 0.01 . 1 . . . . . . . . 5992 1 242 . 1 1 20 20 PHE HZ H 1 6.58 0.01 . 1 . . . . . . . . 5992 1 243 . 1 1 20 20 PHE N N 15 118.5 0.1 . 1 . . . . . . . . 5992 1 244 . 1 1 20 20 PHE CA C 13 59.4 0.1 . 1 . . . . . . . . 5992 1 245 . 1 1 20 20 PHE CB C 13 39.2 0.1 . 1 . . . . . . . . 5992 1 246 . 1 1 21 21 ASP H H 1 7.21 0.01 . 1 . . . . . . . . 5992 1 247 . 1 1 21 21 ASP HA H 1 4.50 0.01 . 1 . . . . . . . . 5992 1 248 . 1 1 21 21 ASP HB2 H 1 2.43 0.01 . 2 . . . . . . . . 5992 1 249 . 1 1 21 21 ASP HB3 H 1 1.53 0.01 . 2 . . . . . . . . 5992 1 250 . 1 1 21 21 ASP N N 15 118.8 0.1 . 1 . . . . . . . . 5992 1 251 . 1 1 21 21 ASP CA C 13 51.2 0.1 . 1 . . . . . . . . 5992 1 252 . 1 1 21 21 ASP CB C 13 37.8 0.1 . 1 . . . . . . . . 5992 1 253 . 1 1 22 22 ASP H H 1 8.49 0.01 . 1 . . . . . . . . 5992 1 254 . 1 1 22 22 ASP HA H 1 4.32 0.01 . 1 . . . . . . . . 5992 1 255 . 1 1 22 22 ASP HB2 H 1 2.65 0.01 . 2 . . . . . . . . 5992 1 256 . 1 1 22 22 ASP HB3 H 1 2.60 0.01 . 2 . . . . . . . . 5992 1 257 . 1 1 22 22 ASP N N 15 123.1 0.1 . 1 . . . . . . . . 5992 1 258 . 1 1 22 22 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . 5992 1 259 . 1 1 22 22 ASP CB C 13 38.5 0.1 . 1 . . . . . . . . 5992 1 260 . 1 1 23 23 ASP H H 1 8.97 0.01 . 1 . . . . . . . . 5992 1 261 . 1 1 23 23 ASP HA H 1 4.54 0.01 . 1 . . . . . . . . 5992 1 262 . 1 1 23 23 ASP HB2 H 1 2.98 0.01 . 2 . . . . . . . . 5992 1 263 . 1 1 23 23 ASP HB3 H 1 2.64 0.01 . 2 . . . . . . . . 5992 1 264 . 1 1 23 23 ASP N N 15 116.5 0.1 . 1 . . . . . . . . 5992 1 265 . 1 1 23 23 ASP CA C 13 50.4 0.1 . 1 . . . . . . . . 5992 1 266 . 1 1 24 24 GLU H H 1 7.90 0.01 . 1 . . . . . . . . 5992 1 267 . 1 1 24 24 GLU HA H 1 3.96 0.01 . 1 . . . . . . . . 5992 1 268 . 1 1 24 24 GLU HB2 H 1 2.07 0.01 . 1 . . . . . . . . 5992 1 269 . 1 1 24 24 GLU HB3 H 1 2.07 0.01 . 1 . . . . . . . . 5992 1 270 . 1 1 24 24 GLU HG2 H 1 2.20 0.01 . 1 . . . . . . . . 5992 1 271 . 1 1 24 24 GLU HG3 H 1 2.20 0.01 . 1 . . . . . . . . 5992 1 272 . 1 1 24 24 GLU N N 15 118.5 0.1 . 1 . . . . . . . . 5992 1 273 . 1 1 24 24 GLU CA C 13 55.2 0.1 . 1 . . . . . . . . 5992 1 274 . 1 1 24 24 GLU CB C 13 25.5 0.1 . 1 . . . . . . . . 5992 1 275 . 1 1 24 24 GLU CG C 13 25.5 0.1 . 1 . . . . . . . . 5992 1 276 . 1 1 25 25 THR H H 1 9.70 0.01 . 1 . . . . . . . . 5992 1 277 . 1 1 25 25 THR HA H 1 4.47 0.01 . 1 . . . . . . . . 5992 1 278 . 1 1 25 25 THR HB H 1 4.48 0.01 . 1 . . . . . . . . 5992 1 279 . 1 1 25 25 THR HG21 H 1 1.09 0.01 . 1 . . . . . . . . 5992 1 280 . 1 1 25 25 THR HG22 H 1 1.09 0.01 . 1 . . . . . . . . 5992 1 281 . 1 1 25 25 THR HG23 H 1 1.09 0.01 . 1 . . . . . . . . 5992 1 282 . 1 1 25 25 THR N N 15 112.8 0.1 . 1 . . . . . . . . 5992 1 283 . 1 1 25 25 THR CA C 13 60.4 0.1 . 1 . . . . . . . . 5992 1 284 . 1 1 25 25 THR CB C 13 67.5 0.1 . 1 . . . . . . . . 5992 1 285 . 1 1 25 25 THR CG2 C 13 20.2 0.1 . 1 . . . . . . . . 5992 1 286 . 1 1 26 26 GLY H H 1 11.0 0.01 . 1 . . . . . . . . 5992 1 287 . 1 1 26 26 GLY HA2 H 1 4.33 0.01 . 1 . . . . . . . . 5992 1 288 . 1 1 26 26 GLY HA3 H 1 3.66 0.01 . 1 . . . . . . . . 5992 1 289 . 1 1 26 26 GLY N N 15 117.5 0.1 . 1 . . . . . . . . 5992 1 290 . 1 1 26 26 GLY CA C 13 43.5 0.1 . 1 . . . . . . . . 5992 1 291 . 1 1 27 27 LYS H H 1 7.66 0.01 . 1 . . . . . . . . 5992 1 292 . 1 1 27 27 LYS HA H 1 4.96 0.01 . 1 . . . . . . . . 5992 1 293 . 1 1 27 27 LYS HB2 H 1 1.56 0.01 . 1 . . . . . . . . 5992 1 294 . 1 1 27 27 LYS HB3 H 1 1.56 0.01 . 1 . . . . . . . . 5992 1 295 . 1 1 27 27 LYS HG2 H 1 1.22 0.01 . 1 . . . . . . . . 5992 1 296 . 1 1 27 27 LYS HG3 H 1 1.22 0.01 . 1 . . . . . . . . 5992 1 297 . 1 1 27 27 LYS HD2 H 1 1.41 0.01 . 1 . . . . . . . . 5992 1 298 . 1 1 27 27 LYS HD3 H 1 1.41 0.01 . 1 . . . . . . . . 5992 1 299 . 1 1 27 27 LYS HE2 H 1 2.67 0.01 . 1 . . . . . . . . 5992 1 300 . 1 1 27 27 LYS HE3 H 1 2.67 0.01 . 1 . . . . . . . . 5992 1 301 . 1 1 27 27 LYS N N 15 117.6 0.1 . 1 . . . . . . . . 5992 1 302 . 1 1 27 27 LYS CA C 13 52.6 0.1 . 1 . . . . . . . . 5992 1 303 . 1 1 27 27 LYS CB C 13 35.9 0.1 . 1 . . . . . . . . 5992 1 304 . 1 1 27 27 LYS CD C 13 31.0 0.1 . 1 . . . . . . . . 5992 1 305 . 1 1 28 28 ILE H H 1 9.52 0.01 . 1 . . . . . . . . 5992 1 306 . 1 1 28 28 ILE HA H 1 4.47 0.01 . 1 . . . . . . . . 5992 1 307 . 1 1 28 28 ILE HB H 1 1.80 0.01 . 1 . . . . . . . . 5992 1 308 . 1 1 28 28 ILE HG21 H 1 0.93 0.01 . 1 . . . . . . . . 5992 1 309 . 1 1 28 28 ILE HG22 H 1 0.93 0.01 . 1 . . . . . . . . 5992 1 310 . 1 1 28 28 ILE HG23 H 1 0.93 0.01 . 1 . . . . . . . . 5992 1 311 . 1 1 28 28 ILE HG12 H 1 1.28 0.01 . 2 . . . . . . . . 5992 1 312 . 1 1 28 28 ILE HG13 H 1 0.14 0.01 . 2 . . . . . . . . 5992 1 313 . 1 1 28 28 ILE HD11 H 1 0.01 0.01 . 1 . . . . . . . . 5992 1 314 . 1 1 28 28 ILE HD12 H 1 0.01 0.01 . 1 . . . . . . . . 5992 1 315 . 1 1 28 28 ILE HD13 H 1 0.01 0.01 . 1 . . . . . . . . 5992 1 316 . 1 1 28 28 ILE N N 15 122.1 0.1 . 1 . . . . . . . . 5992 1 317 . 1 1 28 28 ILE CA C 13 59.2 0.1 . 1 . . . . . . . . 5992 1 318 . 1 1 28 28 ILE CB C 13 37.0 0.1 . 1 . . . . . . . . 5992 1 319 . 1 1 28 28 ILE CG1 C 13 25.5 0.1 . 1 . . . . . . . . 5992 1 320 . 1 1 28 28 ILE CG2 C 13 15.4 0.1 . 1 . . . . . . . . 5992 1 321 . 1 1 28 28 ILE CD1 C 13 13.9 0.1 . 1 . . . . . . . . 5992 1 322 . 1 1 29 29 SER H H 1 8.75 0.01 . 1 . . . . . . . . 5992 1 323 . 1 1 29 29 SER HA H 1 4.94 0.01 . 1 . . . . . . . . 5992 1 324 . 1 1 29 29 SER HB2 H 1 4.47 0.01 . 2 . . . . . . . . 5992 1 325 . 1 1 29 29 SER HB3 H 1 3.92 0.01 . 2 . . . . . . . . 5992 1 326 . 1 1 29 29 SER N N 15 123.8 0.1 . 1 . . . . . . . . 5992 1 327 . 1 1 29 29 SER CA C 13 53.9 0.1 . 1 . . . . . . . . 5992 1 328 . 1 1 29 29 SER CB C 13 65.3 0.1 . 1 . . . . . . . . 5992 1 329 . 1 1 30 30 PHE H H 1 9.63 0.01 . 1 . . . . . . . . 5992 1 330 . 1 1 30 30 PHE HA H 1 3.92 0.01 . 1 . . . . . . . . 5992 1 331 . 1 1 30 30 PHE HB2 H 1 3.25 0.01 . 2 . . . . . . . . 5992 1 332 . 1 1 30 30 PHE HB3 H 1 3.19 0.01 . 2 . . . . . . . . 5992 1 333 . 1 1 30 30 PHE HD1 H 1 7.04 0.01 . 1 . . . . . . . . 5992 1 334 . 1 1 30 30 PHE HD2 H 1 7.04 0.01 . 1 . . . . . . . . 5992 1 335 . 1 1 30 30 PHE HE1 H 1 7.44 0.01 . 1 . . . . . . . . 5992 1 336 . 1 1 30 30 PHE HE2 H 1 7.44 0.01 . 1 . . . . . . . . 5992 1 337 . 1 1 30 30 PHE HZ H 1 7.23 0.01 . 1 . . . . . . . . 5992 1 338 . 1 1 30 30 PHE N N 15 123.3 0.1 . 1 . . . . . . . . 5992 1 339 . 1 1 30 30 PHE CA C 13 61.4 0.1 . 1 . . . . . . . . 5992 1 340 . 1 1 30 30 PHE CB C 13 37.7 0.1 . 1 . . . . . . . . 5992 1 341 . 1 1 31 31 LYS H H 1 8.29 0.01 . 1 . . . . . . . . 5992 1 342 . 1 1 31 31 LYS HA H 1 3.90 0.01 . 1 . . . . . . . . 5992 1 343 . 1 1 31 31 LYS HB2 H 1 2.00 0.01 . 2 . . . . . . . . 5992 1 344 . 1 1 31 31 LYS HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5992 1 345 . 1 1 31 31 LYS HG2 H 1 1.63 0.01 . 2 . . . . . . . . 5992 1 346 . 1 1 31 31 LYS HG3 H 1 1.52 0.01 . 2 . . . . . . . . 5992 1 347 . 1 1 31 31 LYS HD2 H 1 1.74 0.01 . 1 . . . . . . . . 5992 1 348 . 1 1 31 31 LYS HD3 H 1 1.74 0.01 . 1 . . . . . . . . 5992 1 349 . 1 1 31 31 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 5992 1 350 . 1 1 31 31 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 5992 1 351 . 1 1 31 31 LYS N N 15 117.8 0.1 . 1 . . . . . . . . 5992 1 352 . 1 1 31 31 LYS CA C 13 58.2 0.1 . 1 . . . . . . . . 5992 1 353 . 1 1 31 31 LYS CB C 13 30.3 0.1 . 1 . . . . . . . . 5992 1 354 . 1 1 31 31 LYS CG C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 355 . 1 1 31 31 LYS CD C 13 26.9 0.1 . 1 . . . . . . . . 5992 1 356 . 1 1 31 31 LYS CE C 13 39.6 0.1 . 1 . . . . . . . . 5992 1 357 . 1 1 32 32 ASN H H 1 7.80 0.01 . 1 . . . . . . . . 5992 1 358 . 1 1 32 32 ASN HA H 1 4.79 0.01 . 1 . . . . . . . . 5992 1 359 . 1 1 32 32 ASN HB2 H 1 3.54 0.01 . 2 . . . . . . . . 5992 1 360 . 1 1 32 32 ASN HB3 H 1 3.25 0.01 . 2 . . . . . . . . 5992 1 361 . 1 1 32 32 ASN N N 15 120.0 0.1 . 1 . . . . . . . . 5992 1 362 . 1 1 32 32 ASN CA C 13 55.4 0.1 . 1 . . . . . . . . 5992 1 363 . 1 1 32 32 ASN CB C 13 38.1 0.1 . 1 . . . . . . . . 5992 1 364 . 1 1 33 33 LEU H H 1 8.03 0.01 . 1 . . . . . . . . 5992 1 365 . 1 1 33 33 LEU HA H 1 3.92 0.01 . 1 . . . . . . . . 5992 1 366 . 1 1 33 33 LEU HB2 H 1 1.64 0.01 . 2 . . . . . . . . 5992 1 367 . 1 1 33 33 LEU HB3 H 1 1.35 0.01 . 2 . . . . . . . . 5992 1 368 . 1 1 33 33 LEU HG H 1 1.52 0.01 . 1 . . . . . . . . 5992 1 369 . 1 1 33 33 LEU HD11 H 1 0.65 0.01 . 2 . . . . . . . . 5992 1 370 . 1 1 33 33 LEU HD12 H 1 0.65 0.01 . 2 . . . . . . . . 5992 1 371 . 1 1 33 33 LEU HD13 H 1 0.65 0.01 . 2 . . . . . . . . 5992 1 372 . 1 1 33 33 LEU HD21 H 1 0.57 0.01 . 2 . . . . . . . . 5992 1 373 . 1 1 33 33 LEU HD22 H 1 0.57 0.01 . 2 . . . . . . . . 5992 1 374 . 1 1 33 33 LEU HD23 H 1 0.57 0.01 . 2 . . . . . . . . 5992 1 375 . 1 1 33 33 LEU N N 15 119.8 0.1 . 1 . . . . . . . . 5992 1 376 . 1 1 33 33 LEU CA C 13 56.4 0.1 . 1 . . . . . . . . 5992 1 377 . 1 1 33 33 LEU CB C 13 40.7 0.1 . 1 . . . . . . . . 5992 1 378 . 1 1 33 33 LEU CG C 13 24.7 0.1 . 1 . . . . . . . . 5992 1 379 . 1 1 33 33 LEU CD1 C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 380 . 1 1 33 33 LEU CD2 C 13 24.0 0.1 . 1 . . . . . . . . 5992 1 381 . 1 1 34 34 LYS H H 1 8.49 0.01 . 1 . . . . . . . . 5992 1 382 . 1 1 34 34 LYS HA H 1 3.65 0.01 . 1 . . . . . . . . 5992 1 383 . 1 1 34 34 LYS HB2 H 1 1.67 0.01 . 2 . . . . . . . . 5992 1 384 . 1 1 34 34 LYS HB3 H 1 1.23 0.01 . 2 . . . . . . . . 5992 1 385 . 1 1 34 34 LYS HG2 H 1 0.86 0.01 . 1 . . . . . . . . 5992 1 386 . 1 1 34 34 LYS HG3 H 1 0.86 0.01 . 1 . . . . . . . . 5992 1 387 . 1 1 34 34 LYS HD2 H 1 1.48 0.01 . 1 . . . . . . . . 5992 1 388 . 1 1 34 34 LYS HD3 H 1 1.48 0.01 . 1 . . . . . . . . 5992 1 389 . 1 1 34 34 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5992 1 390 . 1 1 34 34 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5992 1 391 . 1 1 34 34 LYS N N 15 119.6 0.1 . 1 . . . . . . . . 5992 1 392 . 1 1 34 34 LYS CA C 13 57.8 0.1 . 1 . . . . . . . . 5992 1 393 . 1 1 34 34 LYS CB C 13 29.9 0.1 . 1 . . . . . . . . 5992 1 394 . 1 1 34 34 LYS CG C 13 23.6 0.1 . 1 . . . . . . . . 5992 1 395 . 1 1 34 34 LYS CE C 13 40.7 0.1 . 1 . . . . . . . . 5992 1 396 . 1 1 35 35 ARG H H 1 7.56 0.01 . 1 . . . . . . . . 5992 1 397 . 1 1 35 35 ARG HA H 1 4.00 0.01 . 1 . . . . . . . . 5992 1 398 . 1 1 35 35 ARG HB2 H 1 2.31 0.01 . 1 . . . . . . . . 5992 1 399 . 1 1 35 35 ARG HB3 H 1 2.31 0.01 . 1 . . . . . . . . 5992 1 400 . 1 1 35 35 ARG HG2 H 1 1.99 0.01 . 2 . . . . . . . . 5992 1 401 . 1 1 35 35 ARG HG3 H 1 1.85 0.01 . 2 . . . . . . . . 5992 1 402 . 1 1 35 35 ARG HD2 H 1 3.16 0.01 . 1 . . . . . . . . 5992 1 403 . 1 1 35 35 ARG HD3 H 1 3.16 0.01 . 1 . . . . . . . . 5992 1 404 . 1 1 35 35 ARG N N 15 120.2 0.1 . 1 . . . . . . . . 5992 1 405 . 1 1 35 35 ARG CA C 13 57.6 0.1 . 1 . . . . . . . . 5992 1 406 . 1 1 35 35 ARG CB C 13 26.6 0.1 . 1 . . . . . . . . 5992 1 407 . 1 1 35 35 ARG CG C 13 26.6 0.1 . 1 . . . . . . . . 5992 1 408 . 1 1 35 35 ARG CD C 13 40.7 0.1 . 1 . . . . . . . . 5992 1 409 . 1 1 36 36 VAL H H 1 8.12 0.01 . 1 . . . . . . . . 5992 1 410 . 1 1 36 36 VAL HA H 1 3.34 0.01 . 1 . . . . . . . . 5992 1 411 . 1 1 36 36 VAL HB H 1 2.21 0.01 . 1 . . . . . . . . 5992 1 412 . 1 1 36 36 VAL HG11 H 1 1.08 0.01 . 2 . . . . . . . . 5992 1 413 . 1 1 36 36 VAL HG12 H 1 1.08 0.01 . 2 . . . . . . . . 5992 1 414 . 1 1 36 36 VAL HG13 H 1 1.08 0.01 . 2 . . . . . . . . 5992 1 415 . 1 1 36 36 VAL HG21 H 1 0.71 0.01 . 2 . . . . . . . . 5992 1 416 . 1 1 36 36 VAL HG22 H 1 0.71 0.01 . 2 . . . . . . . . 5992 1 417 . 1 1 36 36 VAL HG23 H 1 0.71 0.01 . 2 . . . . . . . . 5992 1 418 . 1 1 36 36 VAL N N 15 120.9 0.1 . 1 . . . . . . . . 5992 1 419 . 1 1 36 36 VAL CA C 13 65.6 0.1 . 1 . . . . . . . . 5992 1 420 . 1 1 36 36 VAL CB C 13 29.9 0.1 . 1 . . . . . . . . 5992 1 421 . 1 1 36 36 VAL CG1 C 13 21.8 0.1 . 1 . . . . . . . . 5992 1 422 . 1 1 36 36 VAL CG2 C 13 20.6 0.1 . 1 . . . . . . . . 5992 1 423 . 1 1 37 37 ALA H H 1 8.56 0.01 . 1 . . . . . . . . 5992 1 424 . 1 1 37 37 ALA HA H 1 3.76 0.01 . 1 . . . . . . . . 5992 1 425 . 1 1 37 37 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 5992 1 426 . 1 1 37 37 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 5992 1 427 . 1 1 37 37 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 5992 1 428 . 1 1 37 37 ALA N N 15 121.2 0.1 . 1 . . . . . . . . 5992 1 429 . 1 1 37 37 ALA CA C 13 54.7 0.1 . 1 . . . . . . . . 5992 1 430 . 1 1 37 37 ALA CB C 13 15.8 0.1 . 1 . . . . . . . . 5992 1 431 . 1 1 38 38 LYS H H 1 7.79 0.01 . 1 . . . . . . . . 5992 1 432 . 1 1 38 38 LYS HA H 1 4.13 0.01 . 1 . . . . . . . . 5992 1 433 . 1 1 38 38 LYS HB2 H 1 1.98 0.01 . 1 . . . . . . . . 5992 1 434 . 1 1 38 38 LYS HB3 H 1 1.98 0.01 . 1 . . . . . . . . 5992 1 435 . 1 1 38 38 LYS HG2 H 1 1.57 0.01 . 2 . . . . . . . . 5992 1 436 . 1 1 38 38 LYS HG3 H 1 1.46 0.01 . 2 . . . . . . . . 5992 1 437 . 1 1 38 38 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 5992 1 438 . 1 1 38 38 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 5992 1 439 . 1 1 38 38 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 5992 1 440 . 1 1 38 38 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 5992 1 441 . 1 1 38 38 LYS N N 15 116.9 0.1 . 1 . . . . . . . . 5992 1 442 . 1 1 38 38 LYS CA C 13 57.0 0.1 . 1 . . . . . . . . 5992 1 443 . 1 1 38 38 LYS CB C 13 30.3 0.1 . 1 . . . . . . . . 5992 1 444 . 1 1 38 38 LYS CG C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 445 . 1 1 38 38 LYS CD C 13 27.3 0.1 . 1 . . . . . . . . 5992 1 446 . 1 1 38 38 LYS CE C 13 38.5 0.1 . 1 . . . . . . . . 5992 1 447 . 1 1 39 39 GLU H H 1 8.61 0.01 . 1 . . . . . . . . 5992 1 448 . 1 1 39 39 GLU HA H 1 3.99 0.01 . 1 . . . . . . . . 5992 1 449 . 1 1 39 39 GLU HB2 H 1 2.19 0.01 . 1 . . . . . . . . 5992 1 450 . 1 1 39 39 GLU HB3 H 1 2.19 0.01 . 1 . . . . . . . . 5992 1 451 . 1 1 39 39 GLU HG2 H 1 2.47 0.01 . 2 . . . . . . . . 5992 1 452 . 1 1 39 39 GLU HG3 H 1 1.96 0.01 . 2 . . . . . . . . 5992 1 453 . 1 1 39 39 GLU N N 15 122.2 0.1 . 1 . . . . . . . . 5992 1 454 . 1 1 39 39 GLU CA C 13 57.8 0.1 . 1 . . . . . . . . 5992 1 455 . 1 1 39 39 GLU CB C 13 34.8 0.1 . 1 . . . . . . . . 5992 1 456 . 1 1 39 39 GLU CG C 13 34.8 0.1 . 1 . . . . . . . . 5992 1 457 . 1 1 40 40 LEU H H 1 8.12 0.01 . 1 . . . . . . . . 5992 1 458 . 1 1 40 40 LEU HA H 1 4.25 0.01 . 1 . . . . . . . . 5992 1 459 . 1 1 40 40 LEU HB2 H 1 1.68 0.01 . 1 . . . . . . . . 5992 1 460 . 1 1 40 40 LEU HB3 H 1 1.68 0.01 . 1 . . . . . . . . 5992 1 461 . 1 1 40 40 LEU HG H 1 1.85 0.01 . 1 . . . . . . . . 5992 1 462 . 1 1 40 40 LEU HD11 H 1 0.86 0.01 . 2 . . . . . . . . 5992 1 463 . 1 1 40 40 LEU HD12 H 1 0.86 0.01 . 2 . . . . . . . . 5992 1 464 . 1 1 40 40 LEU HD13 H 1 0.86 0.01 . 2 . . . . . . . . 5992 1 465 . 1 1 40 40 LEU HD21 H 1 0.70 0.01 . 2 . . . . . . . . 5992 1 466 . 1 1 40 40 LEU HD22 H 1 0.70 0.01 . 2 . . . . . . . . 5992 1 467 . 1 1 40 40 LEU HD23 H 1 0.70 0.01 . 2 . . . . . . . . 5992 1 468 . 1 1 40 40 LEU N N 15 116.1 0.1 . 1 . . . . . . . . 5992 1 469 . 1 1 40 40 LEU CA C 13 53.1 0.1 . 1 . . . . . . . . 5992 1 470 . 1 1 40 40 LEU CB C 13 40.0 0.1 . 1 . . . . . . . . 5992 1 471 . 1 1 40 40 LEU CG C 13 24.7 0.1 . 1 . . . . . . . . 5992 1 472 . 1 1 40 40 LEU CD1 C 13 24.7 0.1 . 1 . . . . . . . . 5992 1 473 . 1 1 40 40 LEU CD2 C 13 20.6 0.1 . 1 . . . . . . . . 5992 1 474 . 1 1 41 41 GLY H H 1 7.80 0.01 . 1 . . . . . . . . 5992 1 475 . 1 1 41 41 GLY HA2 H 1 3.97 0.01 . 1 . . . . . . . . 5992 1 476 . 1 1 41 41 GLY HA3 H 1 3.83 0.01 . 1 . . . . . . . . 5992 1 477 . 1 1 41 41 GLY N N 15 109.4 0.1 . 1 . . . . . . . . 5992 1 478 . 1 1 41 41 GLY CA C 13 44.5 0.1 . 1 . . . . . . . . 5992 1 479 . 1 1 42 42 GLU H H 1 8.01 0.01 . 1 . . . . . . . . 5992 1 480 . 1 1 42 42 GLU HA H 1 4.41 0.01 . 1 . . . . . . . . 5992 1 481 . 1 1 42 42 GLU HB2 H 1 1.53 0.01 . 1 . . . . . . . . 5992 1 482 . 1 1 42 42 GLU HB3 H 1 1.53 0.01 . 1 . . . . . . . . 5992 1 483 . 1 1 42 42 GLU HG2 H 1 1.99 0.01 . 2 . . . . . . . . 5992 1 484 . 1 1 42 42 GLU HG3 H 1 2.02 0.01 . 2 . . . . . . . . 5992 1 485 . 1 1 42 42 GLU N N 15 118.9 0.1 . 1 . . . . . . . . 5992 1 486 . 1 1 42 42 GLU CA C 13 53.1 0.1 . 1 . . . . . . . . 5992 1 487 . 1 1 42 42 GLU CB C 13 28.8 0.1 . 1 . . . . . . . . 5992 1 488 . 1 1 42 42 GLU CG C 13 33.3 0.1 . 1 . . . . . . . . 5992 1 489 . 1 1 43 43 ASN H H 1 8.85 0.01 . 1 . . . . . . . . 5992 1 490 . 1 1 43 43 ASN HA H 1 4.69 0.01 . 1 . . . . . . . . 5992 1 491 . 1 1 43 43 ASN HB2 H 1 2.87 0.01 . 2 . . . . . . . . 5992 1 492 . 1 1 43 43 ASN HB3 H 1 2.69 0.01 . 2 . . . . . . . . 5992 1 493 . 1 1 43 43 ASN HD21 H 1 7.53 0.01 . 2 . . . . . . . . 5992 1 494 . 1 1 43 43 ASN HD22 H 1 6.78 0.01 . 2 . . . . . . . . 5992 1 495 . 1 1 43 43 ASN N N 15 124.7 0.1 . 1 . . . . . . . . 5992 1 496 . 1 1 43 43 ASN ND2 N 15 113.4 0.1 . 1 . . . . . . . . 5992 1 497 . 1 1 43 43 ASN CA C 13 51.1 0.1 . 1 . . . . . . . . 5992 1 498 . 1 1 43 43 ASN CB C 13 35.9 0.1 . 1 . . . . . . . . 5992 1 499 . 1 1 44 44 LEU H H 1 7.29 0.01 . 1 . . . . . . . . 5992 1 500 . 1 1 44 44 LEU HA H 1 4.73 0.01 . 1 . . . . . . . . 5992 1 501 . 1 1 44 44 LEU HB2 H 1 1.31 0.01 . 1 . . . . . . . . 5992 1 502 . 1 1 44 44 LEU HB3 H 1 1.31 0.01 . 1 . . . . . . . . 5992 1 503 . 1 1 44 44 LEU HG H 1 1.49 0.01 . 1 . . . . . . . . 5992 1 504 . 1 1 44 44 LEU HD11 H 1 0.76 0.01 . 2 . . . . . . . . 5992 1 505 . 1 1 44 44 LEU HD12 H 1 0.76 0.01 . 2 . . . . . . . . 5992 1 506 . 1 1 44 44 LEU HD13 H 1 0.76 0.01 . 2 . . . . . . . . 5992 1 507 . 1 1 44 44 LEU HD21 H 1 0.71 0.01 . 2 . . . . . . . . 5992 1 508 . 1 1 44 44 LEU HD22 H 1 0.71 0.01 . 2 . . . . . . . . 5992 1 509 . 1 1 44 44 LEU HD23 H 1 0.71 0.01 . 2 . . . . . . . . 5992 1 510 . 1 1 44 44 LEU N N 15 124.1 0.1 . 1 . . . . . . . . 5992 1 511 . 1 1 44 44 LEU CA C 13 52.5 0.1 . 1 . . . . . . . . 5992 1 512 . 1 1 44 44 LEU CB C 13 42.2 0.1 . 1 . . . . . . . . 5992 1 513 . 1 1 44 44 LEU CG C 13 26.2 0.1 . 1 . . . . . . . . 5992 1 514 . 1 1 44 44 LEU CD1 C 13 21.8 0.1 . 1 . . . . . . . . 5992 1 515 . 1 1 44 44 LEU CD2 C 13 24.7 0.1 . 1 . . . . . . . . 5992 1 516 . 1 1 45 45 THR H H 1 9.37 0.01 . 1 . . . . . . . . 5992 1 517 . 1 1 45 45 THR HA H 1 4.39 0.01 . 1 . . . . . . . . 5992 1 518 . 1 1 45 45 THR HB H 1 4.83 0.01 . 1 . . . . . . . . 5992 1 519 . 1 1 45 45 THR HG21 H 1 1.38 0.01 . 1 . . . . . . . . 5992 1 520 . 1 1 45 45 THR HG22 H 1 1.38 0.01 . 1 . . . . . . . . 5992 1 521 . 1 1 45 45 THR HG23 H 1 1.38 0.01 . 1 . . . . . . . . 5992 1 522 . 1 1 45 45 THR N N 15 116.4 0.1 . 1 . . . . . . . . 5992 1 523 . 1 1 45 45 THR CA C 13 59.2 0.1 . 1 . . . . . . . . 5992 1 524 . 1 1 45 45 THR CB C 13 69.4 0.1 . 1 . . . . . . . . 5992 1 525 . 1 1 45 45 THR CG2 C 13 19.9 0.1 . 1 . . . . . . . . 5992 1 526 . 1 1 46 46 ASP H H 1 9.07 0.01 . 1 . . . . . . . . 5992 1 527 . 1 1 46 46 ASP HA H 1 4.53 0.01 . 1 . . . . . . . . 5992 1 528 . 1 1 46 46 ASP HB2 H 1 2.87 0.01 . 2 . . . . . . . . 5992 1 529 . 1 1 46 46 ASP HB3 H 1 2.76 0.01 . 2 . . . . . . . . 5992 1 530 . 1 1 46 46 ASP N N 15 122.3 0.1 . 1 . . . . . . . . 5992 1 531 . 1 1 46 46 ASP CA C 13 56.4 0.1 . 1 . . . . . . . . 5992 1 532 . 1 1 46 46 ASP CB C 13 38.1 0.1 . 1 . . . . . . . . 5992 1 533 . 1 1 47 47 GLU H H 1 8.62 0.01 . 1 . . . . . . . . 5992 1 534 . 1 1 47 47 GLU HA H 1 4.07 0.01 . 1 . . . . . . . . 5992 1 535 . 1 1 47 47 GLU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 5992 1 536 . 1 1 47 47 GLU HB3 H 1 1.97 0.01 . 2 . . . . . . . . 5992 1 537 . 1 1 47 47 GLU HG2 H 1 2.39 0.01 . 2 . . . . . . . . 5992 1 538 . 1 1 47 47 GLU HG3 H 1 2.32 0.01 . 2 . . . . . . . . 5992 1 539 . 1 1 47 47 GLU N N 15 119.9 0.1 . 1 . . . . . . . . 5992 1 540 . 1 1 47 47 GLU CA C 13 58.8 0.1 . 1 . . . . . . . . 5992 1 541 . 1 1 47 47 GLU CB C 13 27.7 0.1 . 1 . . . . . . . . 5992 1 542 . 1 1 47 47 GLU CG C 13 31.4 0.1 . 1 . . . . . . . . 5992 1 543 . 1 1 48 48 GLU H H 1 7.83 0.01 . 1 . . . . . . . . 5992 1 544 . 1 1 48 48 GLU HA H 1 3.98 0.01 . 1 . . . . . . . . 5992 1 545 . 1 1 48 48 GLU HB2 H 1 2.41 0.01 . 1 . . . . . . . . 5992 1 546 . 1 1 48 48 GLU HB3 H 1 2.41 0.01 . 1 . . . . . . . . 5992 1 547 . 1 1 48 48 GLU HG2 H 1 2.26 0.01 . 2 . . . . . . . . 5992 1 548 . 1 1 48 48 GLU HG3 H 1 1.79 0.01 . 2 . . . . . . . . 5992 1 549 . 1 1 48 48 GLU N N 15 121.9 0.1 . 1 . . . . . . . . 5992 1 550 . 1 1 48 48 GLU CA C 13 57.6 0.1 . 1 . . . . . . . . 5992 1 551 . 1 1 48 48 GLU CB C 13 34.8 0.1 . 1 . . . . . . . . 5992 1 552 . 1 1 48 48 GLU CG C 13 34.8 0.1 . 1 . . . . . . . . 5992 1 553 . 1 1 49 49 LEU H H 1 8.31 0.01 . 1 . . . . . . . . 5992 1 554 . 1 1 49 49 LEU HA H 1 4.01 0.01 . 1 . . . . . . . . 5992 1 555 . 1 1 49 49 LEU HB2 H 1 2.17 0.01 . 1 . . . . . . . . 5992 1 556 . 1 1 49 49 LEU HB3 H 1 2.17 0.01 . 1 . . . . . . . . 5992 1 557 . 1 1 49 49 LEU HG H 1 1.74 0.01 . 1 . . . . . . . . 5992 1 558 . 1 1 49 49 LEU HD11 H 1 0.98 0.01 . 2 . . . . . . . . 5992 1 559 . 1 1 49 49 LEU HD12 H 1 0.98 0.01 . 2 . . . . . . . . 5992 1 560 . 1 1 49 49 LEU HD13 H 1 0.98 0.01 . 2 . . . . . . . . 5992 1 561 . 1 1 49 49 LEU HD21 H 1 0.53 0.01 . 2 . . . . . . . . 5992 1 562 . 1 1 49 49 LEU HD22 H 1 0.53 0.01 . 2 . . . . . . . . 5992 1 563 . 1 1 49 49 LEU HD23 H 1 0.53 0.01 . 2 . . . . . . . . 5992 1 564 . 1 1 49 49 LEU N N 15 121.7 0.1 . 1 . . . . . . . . 5992 1 565 . 1 1 49 49 LEU CA C 13 55.7 0.1 . 1 . . . . . . . . 5992 1 566 . 1 1 49 49 LEU CB C 13 39.6 0.1 . 1 . . . . . . . . 5992 1 567 . 1 1 49 49 LEU CG C 13 23.6 0.1 . 1 . . . . . . . . 5992 1 568 . 1 1 49 49 LEU CD1 C 13 16.9 0.1 . 1 . . . . . . . . 5992 1 569 . 1 1 49 49 LEU CD2 C 13 21.4 0.1 . 1 . . . . . . . . 5992 1 570 . 1 1 50 50 GLN H H 1 8.51 0.01 . 2 . . . . . . . . 5992 1 571 . 1 1 50 50 GLN HA H 1 4.03 0.01 . 2 . . . . . . . . 5992 1 572 . 1 1 50 50 GLN HB2 H 1 2.17 0.01 . 1 . . . . . . . . 5992 1 573 . 1 1 50 50 GLN HB3 H 1 2.17 0.01 . 1 . . . . . . . . 5992 1 574 . 1 1 50 50 GLN HG2 H 1 2.46 0.01 . 2 . . . . . . . . 5992 1 575 . 1 1 50 50 GLN HG3 H 1 2.36 0.01 . 2 . . . . . . . . 5992 1 576 . 1 1 50 50 GLN HE21 H 1 7.56 0.01 . 2 . . . . . . . . 5992 1 577 . 1 1 50 50 GLN HE22 H 1 6.80 0.01 . 2 . . . . . . . . 5992 1 578 . 1 1 50 50 GLN NE2 N 15 114.6 0.1 . 1 . . . . . . . . 5992 1 579 . 1 1 50 50 GLN N N 15 119.7 0.1 . 1 . . . . . . . . 5992 1 580 . 1 1 50 50 GLN CA C 13 55.6 0.1 . 1 . . . . . . . . 5992 1 581 . 1 1 50 50 GLN CB C 13 27.7 0.1 . 1 . . . . . . . . 5992 1 582 . 1 1 50 50 GLN CG C 13 34.8 0.1 . 1 . . . . . . . . 5992 1 583 . 1 1 51 51 GLU H H 1 8.16 0.01 . 1 . . . . . . . . 5992 1 584 . 1 1 51 51 GLU HA H 1 4.18 0.01 . 1 . . . . . . . . 5992 1 585 . 1 1 51 51 GLU HB2 H 1 2.19 0.01 . 1 . . . . . . . . 5992 1 586 . 1 1 51 51 GLU HB3 H 1 2.19 0.01 . 1 . . . . . . . . 5992 1 587 . 1 1 51 51 GLU HG2 H 1 2.54 0.01 . 2 . . . . . . . . 5992 1 588 . 1 1 51 51 GLU HG3 H 1 2.39 0.01 . 2 . . . . . . . . 5992 1 589 . 1 1 51 51 GLU N N 15 120.2 0.1 . 1 . . . . . . . . 5992 1 590 . 1 1 51 51 GLU CA C 13 57.7 0.1 . 1 . . . . . . . . 5992 1 591 . 1 1 51 51 GLU CB C 13 34.8 0.1 . 1 . . . . . . . . 5992 1 592 . 1 1 51 51 GLU CG C 13 34.8 0.1 . 1 . . . . . . . . 5992 1 593 . 1 1 52 52 MET H H 1 7.56 0.01 . 1 . . . . . . . . 5992 1 594 . 1 1 52 52 MET HA H 1 4.28 0.01 . 1 . . . . . . . . 5992 1 595 . 1 1 52 52 MET HB2 H 1 2.25 0.01 . 1 . . . . . . . . 5992 1 596 . 1 1 52 52 MET HB3 H 1 2.25 0.01 . 1 . . . . . . . . 5992 1 597 . 1 1 52 52 MET HG2 H 1 2.68 0.01 . 1 . . . . . . . . 5992 1 598 . 1 1 52 52 MET HG3 H 1 2.68 0.01 . 1 . . . . . . . . 5992 1 599 . 1 1 52 52 MET N N 15 119.3 0.1 . 1 . . . . . . . . 5992 1 600 . 1 1 52 52 MET CA C 13 58.0 0.1 . 1 . . . . . . . . 5992 1 601 . 1 1 52 52 MET CB C 13 34.8 0.1 . 1 . . . . . . . . 5992 1 602 . 1 1 53 53 ILE H H 1 7.48 0.01 . 1 . . . . . . . . 5992 1 603 . 1 1 53 53 ILE HA H 1 3.79 0.01 . 1 . . . . . . . . 5992 1 604 . 1 1 53 53 ILE HB H 1 2.39 0.01 . 1 . . . . . . . . 5992 1 605 . 1 1 53 53 ILE HG21 H 1 0.89 0.01 . 1 . . . . . . . . 5992 1 606 . 1 1 53 53 ILE HG22 H 1 0.89 0.01 . 1 . . . . . . . . 5992 1 607 . 1 1 53 53 ILE HG23 H 1 0.89 0.01 . 1 . . . . . . . . 5992 1 608 . 1 1 53 53 ILE HG12 H 1 1.39 0.01 . 2 . . . . . . . . 5992 1 609 . 1 1 53 53 ILE HG13 H 1 1.70 0.01 . 2 . . . . . . . . 5992 1 610 . 1 1 53 53 ILE HD11 H 1 0.94 0.01 . 1 . . . . . . . . 5992 1 611 . 1 1 53 53 ILE HD12 H 1 0.94 0.01 . 1 . . . . . . . . 5992 1 612 . 1 1 53 53 ILE HD13 H 1 0.94 0.01 . 1 . . . . . . . . 5992 1 613 . 1 1 53 53 ILE N N 15 121.3 0.1 . 1 . . . . . . . . 5992 1 614 . 1 1 53 53 ILE CA C 13 62.7 0.1 . 1 . . . . . . . . 5992 1 615 . 1 1 53 53 ILE CB C 13 34.8 0.1 . 1 . . . . . . . . 5992 1 616 . 1 1 53 53 ILE CG1 C 13 26.6 0.1 . 1 . . . . . . . . 5992 1 617 . 1 1 53 53 ILE CG2 C 13 15.4 0.1 . 1 . . . . . . . . 5992 1 618 . 1 1 53 53 ILE CD1 C 13 9.49 0.1 . 1 . . . . . . . . 5992 1 619 . 1 1 54 54 ASP H H 1 8.81 0.01 . 1 . . . . . . . . 5992 1 620 . 1 1 54 54 ASP HA H 1 4.40 0.01 . 1 . . . . . . . . 5992 1 621 . 1 1 54 54 ASP HB2 H 1 2.82 0.01 . 2 . . . . . . . . 5992 1 622 . 1 1 54 54 ASP HB3 H 1 2.78 0.01 . 2 . . . . . . . . 5992 1 623 . 1 1 54 54 ASP N N 15 120.5 0.1 . 1 . . . . . . . . 5992 1 624 . 1 1 54 54 ASP CA C 13 55.8 0.1 . 1 . . . . . . . . 5992 1 625 . 1 1 54 54 ASP CB C 13 38.9 0.1 . 1 . . . . . . . . 5992 1 626 . 1 1 55 55 GLU H H 1 8.25 0.01 . 1 . . . . . . . . 5992 1 627 . 1 1 55 55 GLU HA H 1 4.15 0.01 . 1 . . . . . . . . 5992 1 628 . 1 1 55 55 GLU HB2 H 1 2.36 0.01 . 2 . . . . . . . . 5992 1 629 . 1 1 55 55 GLU HB3 H 1 2.26 0.01 . 2 . . . . . . . . 5992 1 630 . 1 1 55 55 GLU HG2 H 1 2.49 0.01 . 1 . . . . . . . . 5992 1 631 . 1 1 55 55 GLU HG3 H 1 2.49 0.01 . 1 . . . . . . . . 5992 1 632 . 1 1 55 55 GLU N N 15 117.8 0.1 . 1 . . . . . . . . 5992 1 633 . 1 1 55 55 GLU CA C 13 56.6 0.1 . 1 . . . . . . . . 5992 1 634 . 1 1 55 55 GLU CB C 13 34.8 0.1 . 1 . . . . . . . . 5992 1 635 . 1 1 55 55 GLU CG C 13 34.8 0.1 . 1 . . . . . . . . 5992 1 636 . 1 1 56 56 ALA H H 1 7.42 0.01 . 1 . . . . . . . . 5992 1 637 . 1 1 56 56 ALA HA H 1 4.40 0.01 . 1 . . . . . . . . 5992 1 638 . 1 1 56 56 ALA HB1 H 1 1.30 0.01 . 1 . . . . . . . . 5992 1 639 . 1 1 56 56 ALA HB2 H 1 1.30 0.01 . 1 . . . . . . . . 5992 1 640 . 1 1 56 56 ALA HB3 H 1 1.30 0.01 . 1 . . . . . . . . 5992 1 641 . 1 1 56 56 ALA N N 15 119.5 0.1 . 1 . . . . . . . . 5992 1 642 . 1 1 56 56 ALA CA C 13 50.2 0.1 . 1 . . . . . . . . 5992 1 643 . 1 1 56 56 ALA CB C 13 18.8 0.1 . 1 . . . . . . . . 5992 1 644 . 1 1 57 57 ASP H H 1 8.59 0.01 . 1 . . . . . . . . 5992 1 645 . 1 1 57 57 ASP HA H 1 4.54 0.01 . 1 . . . . . . . . 5992 1 646 . 1 1 57 57 ASP HB2 H 1 2.89 0.01 . 2 . . . . . . . . 5992 1 647 . 1 1 57 57 ASP HB3 H 1 2.56 0.01 . 2 . . . . . . . . 5992 1 648 . 1 1 57 57 ASP N N 15 119.9 0.1 . 1 . . . . . . . . 5992 1 649 . 1 1 57 57 ASP CA C 13 53.3 0.1 . 1 . . . . . . . . 5992 1 650 . 1 1 57 57 ASP CB C 13 40.3 0.1 . 1 . . . . . . . . 5992 1 651 . 1 1 58 58 ARG H H 1 8.57 0.01 . 1 . . . . . . . . 5992 1 652 . 1 1 58 58 ARG HA H 1 4.44 0.01 . 1 . . . . . . . . 5992 1 653 . 1 1 58 58 ARG HB2 H 1 2.06 0.01 . 2 . . . . . . . . 5992 1 654 . 1 1 58 58 ARG HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5992 1 655 . 1 1 58 58 ARG HG2 H 1 1.75 0.01 . 1 . . . . . . . . 5992 1 656 . 1 1 58 58 ARG HG3 H 1 1.75 0.01 . 1 . . . . . . . . 5992 1 657 . 1 1 58 58 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 5992 1 658 . 1 1 58 58 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 5992 1 659 . 1 1 58 58 ARG N N 15 127.8 0.1 . 1 . . . . . . . . 5992 1 660 . 1 1 58 58 ARG CA C 13 54.5 0.1 . 1 . . . . . . . . 5992 1 661 . 1 1 58 58 ARG CB C 13 29.6 0.1 . 1 . . . . . . . . 5992 1 662 . 1 1 58 58 ARG CG C 13 24.3 0.1 . 1 . . . . . . . . 5992 1 663 . 1 1 58 58 ARG CD C 13 40.7 0.1 . 1 . . . . . . . . 5992 1 664 . 1 1 59 59 ASP H H 1 8.28 0.01 . 1 . . . . . . . . 5992 1 665 . 1 1 59 59 ASP HA H 1 4.72 0.01 . 1 . . . . . . . . 5992 1 666 . 1 1 59 59 ASP HB2 H 1 3.12 0.01 . 2 . . . . . . . . 5992 1 667 . 1 1 59 59 ASP HB3 H 1 2.60 0.01 . 2 . . . . . . . . 5992 1 668 . 1 1 59 59 ASP N N 15 117.3 0.1 . 1 . . . . . . . . 5992 1 669 . 1 1 59 59 ASP CA C 13 51.2 0.1 . 1 . . . . . . . . 5992 1 670 . 1 1 59 59 ASP CB C 13 38.1 0.1 . 1 . . . . . . . . 5992 1 671 . 1 1 60 60 GLY H H 1 7.73 0.01 . 1 . . . . . . . . 5992 1 672 . 1 1 60 60 GLY HA2 H 1 4.03 0.01 . 1 . . . . . . . . 5992 1 673 . 1 1 60 60 GLY HA3 H 1 3.88 0.01 . 1 . . . . . . . . 5992 1 674 . 1 1 60 60 GLY N N 15 108.9 0.1 . 1 . . . . . . . . 5992 1 675 . 1 1 60 60 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 5992 1 676 . 1 1 61 61 ASP H H 1 8.28 0.01 . 1 . . . . . . . . 5992 1 677 . 1 1 61 61 ASP HA H 1 4.59 0.01 . 1 . . . . . . . . 5992 1 678 . 1 1 61 61 ASP HB2 H 1 3.12 0.01 . 2 . . . . . . . . 5992 1 679 . 1 1 61 61 ASP HB3 H 1 2.58 0.01 . 2 . . . . . . . . 5992 1 680 . 1 1 61 61 ASP N N 15 120.6 0.1 . 1 . . . . . . . . 5992 1 681 . 1 1 61 61 ASP CA C 13 51.7 0.1 . 1 . . . . . . . . 5992 1 682 . 1 1 61 61 ASP CB C 13 38.9 0.1 . 1 . . . . . . . . 5992 1 683 . 1 1 62 62 GLY H H 1 9.87 0.01 . 1 . . . . . . . . 5992 1 684 . 1 1 62 62 GLY HA2 H 1 4.14 0.01 . 1 . . . . . . . . 5992 1 685 . 1 1 62 62 GLY HA3 H 1 3.58 0.01 . 1 . . . . . . . . 5992 1 686 . 1 1 62 62 GLY N N 15 112.8 0.1 . 1 . . . . . . . . 5992 1 687 . 1 1 62 62 GLY CA C 13 43.9 0.1 . 1 . . . . . . . . 5992 1 688 . 1 1 63 63 GLU H H 1 7.92 0.01 . 1 . . . . . . . . 5992 1 689 . 1 1 63 63 GLU HA H 1 4.90 0.01 . 1 . . . . . . . . 5992 1 690 . 1 1 63 63 GLU HB2 H 1 1.90 0.01 . 2 . . . . . . . . 5992 1 691 . 1 1 63 63 GLU HB3 H 1 1.56 0.01 . 2 . . . . . . . . 5992 1 692 . 1 1 63 63 GLU HG2 H 1 2.12 0.01 . 1 . . . . . . . . 5992 1 693 . 1 1 63 63 GLU HG3 H 1 2.12 0.01 . 1 . . . . . . . . 5992 1 694 . 1 1 63 63 GLU N N 15 117.5 0.1 . 1 . . . . . . . . 5992 1 695 . 1 1 63 63 GLU CA C 13 52.2 0.1 . 1 . . . . . . . . 5992 1 696 . 1 1 63 63 GLU CB C 13 33.3 0.1 . 1 . . . . . . . . 5992 1 697 . 1 1 63 63 GLU CG C 13 35.1 0.1 . 1 . . . . . . . . 5992 1 698 . 1 1 64 64 VAL H H 1 9.44 0.01 . 1 . . . . . . . . 5992 1 699 . 1 1 64 64 VAL HA H 1 5.05 0.01 . 1 . . . . . . . . 5992 1 700 . 1 1 64 64 VAL HB H 1 2.34 0.01 . 1 . . . . . . . . 5992 1 701 . 1 1 64 64 VAL HG11 H 1 1.13 0.01 . 2 . . . . . . . . 5992 1 702 . 1 1 64 64 VAL HG12 H 1 1.13 0.01 . 2 . . . . . . . . 5992 1 703 . 1 1 64 64 VAL HG13 H 1 1.13 0.01 . 2 . . . . . . . . 5992 1 704 . 1 1 64 64 VAL HG21 H 1 0.92 0.01 . 2 . . . . . . . . 5992 1 705 . 1 1 64 64 VAL HG22 H 1 0.92 0.01 . 2 . . . . . . . . 5992 1 706 . 1 1 64 64 VAL HG23 H 1 0.92 0.01 . 2 . . . . . . . . 5992 1 707 . 1 1 64 64 VAL N N 15 126.3 0.1 . 1 . . . . . . . . 5992 1 708 . 1 1 64 64 VAL CA C 13 60.3 0.1 . 1 . . . . . . . . 5992 1 709 . 1 1 64 64 VAL CB C 13 31.4 0.1 . 1 . . . . . . . . 5992 1 710 . 1 1 64 64 VAL CG1 C 13 20.6 0.1 . 1 . . . . . . . . 5992 1 711 . 1 1 64 64 VAL CG2 C 13 19.5 0.1 . 1 . . . . . . . . 5992 1 712 . 1 1 65 65 SER H H 1 9.83 0.01 . 1 . . . . . . . . 5992 1 713 . 1 1 65 65 SER HA H 1 4.83 0.01 . 1 . . . . . . . . 5992 1 714 . 1 1 65 65 SER HB2 H 1 4.51 0.01 . 2 . . . . . . . . 5992 1 715 . 1 1 65 65 SER HB3 H 1 4.29 0.01 . 2 . . . . . . . . 5992 1 716 . 1 1 65 65 SER N N 15 126.5 0.1 . 1 . . . . . . . . 5992 1 717 . 1 1 65 65 SER CA C 13 55.6 0.1 . 1 . . . . . . . . 5992 1 718 . 1 1 65 65 SER CB C 13 63.4 0.1 . 1 . . . . . . . . 5992 1 719 . 1 1 66 66 GLU H H 1 8.78 0.01 . 1 . . . . . . . . 5992 1 720 . 1 1 66 66 GLU HA H 1 2.94 0.01 . 1 . . . . . . . . 5992 1 721 . 1 1 66 66 GLU HB2 H 1 1.42 0.01 . 2 . . . . . . . . 5992 1 722 . 1 1 66 66 GLU HB3 H 1 1.39 0.01 . 2 . . . . . . . . 5992 1 723 . 1 1 66 66 GLU HG2 H 1 1.59 0.01 . 1 . . . . . . . . 5992 1 724 . 1 1 66 66 GLU HG3 H 1 1.59 0.01 . 1 . . . . . . . . 5992 1 725 . 1 1 66 66 GLU N N 15 122.5 0.1 . 1 . . . . . . . . 5992 1 726 . 1 1 66 66 GLU CA C 13 58.8 0.1 . 1 . . . . . . . . 5992 1 727 . 1 1 66 66 GLU CB C 13 34.8 0.1 . 1 . . . . . . . . 5992 1 728 . 1 1 66 66 GLU CG C 13 26.6 0.1 . 1 . . . . . . . . 5992 1 729 . 1 1 67 67 GLN H H 1 8.30 0.01 . 2 . . . . . . . . 5992 1 730 . 1 1 67 67 GLN HA H 1 3.95 0.01 . 2 . . . . . . . . 5992 1 731 . 1 1 67 67 GLN HB2 H 1 2.04 0.01 . 1 . . . . . . . . 5992 1 732 . 1 1 67 67 GLN HB3 H 1 2.04 0.01 . 1 . . . . . . . . 5992 1 733 . 1 1 67 67 GLN HG2 H 1 2.45 0.01 . 1 . . . . . . . . 5992 1 734 . 1 1 67 67 GLN HG3 H 1 2.45 0.01 . 1 . . . . . . . . 5992 1 735 . 1 1 67 67 GLN HE21 H 1 7.56 0.01 . 2 . . . . . . . . 5992 1 736 . 1 1 67 67 GLN HE22 H 1 6.82 0.01 . 2 . . . . . . . . 5992 1 737 . 1 1 67 67 GLN NE2 N 15 113.1 0.1 . 1 . . . . . . . . 5992 1 738 . 1 1 67 67 GLN N N 15 117.1 0.1 . 1 . . . . . . . . 5992 1 739 . 1 1 67 67 GLN CA C 13 57.8 0.1 . 1 . . . . . . . . 5992 1 740 . 1 1 67 67 GLN CB C 13 26.2 0.1 . 1 . . . . . . . . 5992 1 741 . 1 1 67 67 GLN CG C 13 32.2 0.1 . 1 . . . . . . . . 5992 1 742 . 1 1 68 68 GLU H H 1 7.70 0.01 . 1 . . . . . . . . 5992 1 743 . 1 1 68 68 GLU HA H 1 3.95 0.01 . 1 . . . . . . . . 5992 1 744 . 1 1 68 68 GLU HB2 H 1 2.20 0.01 . 1 . . . . . . . . 5992 1 745 . 1 1 68 68 GLU HB3 H 1 2.20 0.01 . 1 . . . . . . . . 5992 1 746 . 1 1 68 68 GLU HG2 H 1 2.58 0.01 . 2 . . . . . . . . 5992 1 747 . 1 1 68 68 GLU HG3 H 1 2.38 0.01 . 2 . . . . . . . . 5992 1 748 . 1 1 68 68 GLU N N 15 121.3 0.1 . 1 . . . . . . . . 5992 1 749 . 1 1 68 68 GLU CA C 13 56.9 0.1 . 1 . . . . . . . . 5992 1 750 . 1 1 68 68 GLU CB C 13 34.4 0.1 . 1 . . . . . . . . 5992 1 751 . 1 1 68 68 GLU CG C 13 35.5 0.1 . 1 . . . . . . . . 5992 1 752 . 1 1 69 69 PHE H H 1 8.90 0.01 . 1 . . . . . . . . 5992 1 753 . 1 1 69 69 PHE HA H 1 3.66 0.01 . 1 . . . . . . . . 5992 1 754 . 1 1 69 69 PHE HB2 H 1 3.13 0.01 . 2 . . . . . . . . 5992 1 755 . 1 1 69 69 PHE HB3 H 1 2.94 0.01 . 2 . . . . . . . . 5992 1 756 . 1 1 69 69 PHE HD1 H 1 7.23 0.01 . 1 . . . . . . . . 5992 1 757 . 1 1 69 69 PHE HD2 H 1 7.23 0.01 . 1 . . . . . . . . 5992 1 758 . 1 1 69 69 PHE HE1 H 1 7.20 0.01 . 1 . . . . . . . . 5992 1 759 . 1 1 69 69 PHE HE2 H 1 7.20 0.01 . 1 . . . . . . . . 5992 1 760 . 1 1 69 69 PHE HZ H 1 7.40 0.01 . 1 . . . . . . . . 5992 1 761 . 1 1 69 69 PHE N N 15 124.1 0.1 . 1 . . . . . . . . 5992 1 762 . 1 1 69 69 PHE CA C 13 59.0 0.1 . 1 . . . . . . . . 5992 1 763 . 1 1 69 69 PHE CB C 13 37.7 0.1 . 1 . . . . . . . . 5992 1 764 . 1 1 70 70 LEU H H 1 8.52 0.01 . 1 . . . . . . . . 5992 1 765 . 1 1 70 70 LEU HA H 1 3.64 0.01 . 1 . . . . . . . . 5992 1 766 . 1 1 70 70 LEU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 5992 1 767 . 1 1 70 70 LEU HB3 H 1 1.56 0.01 . 2 . . . . . . . . 5992 1 768 . 1 1 70 70 LEU HG H 1 1.71 0.01 . 1 . . . . . . . . 5992 1 769 . 1 1 70 70 LEU HD11 H 1 0.94 0.01 . 2 . . . . . . . . 5992 1 770 . 1 1 70 70 LEU HD12 H 1 0.94 0.01 . 2 . . . . . . . . 5992 1 771 . 1 1 70 70 LEU HD13 H 1 0.94 0.01 . 2 . . . . . . . . 5992 1 772 . 1 1 70 70 LEU HD21 H 1 0.89 0.01 . 2 . . . . . . . . 5992 1 773 . 1 1 70 70 LEU HD22 H 1 0.89 0.01 . 2 . . . . . . . . 5992 1 774 . 1 1 70 70 LEU HD23 H 1 0.89 0.01 . 2 . . . . . . . . 5992 1 775 . 1 1 70 70 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 5992 1 776 . 1 1 70 70 LEU CA C 13 56.8 0.1 . 1 . . . . . . . . 5992 1 777 . 1 1 70 70 LEU CB C 13 39.6 0.1 . 1 . . . . . . . . 5992 1 778 . 1 1 70 70 LEU CG C 13 25.5 0.1 . 1 . . . . . . . . 5992 1 779 . 1 1 70 70 LEU CD1 C 13 22.5 0.1 . 1 . . . . . . . . 5992 1 780 . 1 1 70 70 LEU CD2 C 13 23.6 0.1 . 1 . . . . . . . . 5992 1 781 . 1 1 71 71 ARG H H 1 7.38 0.01 . 1 . . . . . . . . 5992 1 782 . 1 1 71 71 ARG HA H 1 3.92 0.01 . 1 . . . . . . . . 5992 1 783 . 1 1 71 71 ARG HB2 H 1 1.85 0.01 . 1 . . . . . . . . 5992 1 784 . 1 1 71 71 ARG HB3 H 1 1.85 0.01 . 1 . . . . . . . . 5992 1 785 . 1 1 71 71 ARG HG2 H 1 1.71 0.01 . 2 . . . . . . . . 5992 1 786 . 1 1 71 71 ARG HG3 H 1 1.44 0.01 . 2 . . . . . . . . 5992 1 787 . 1 1 71 71 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 5992 1 788 . 1 1 71 71 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 5992 1 789 . 1 1 71 71 ARG N N 15 116.6 0.1 . 1 . . . . . . . . 5992 1 790 . 1 1 71 71 ARG CA C 13 57.8 0.1 . 1 . . . . . . . . 5992 1 791 . 1 1 71 71 ARG CB C 13 29.9 0.1 . 1 . . . . . . . . 5992 1 792 . 1 1 71 71 ARG CG C 13 25.8 0.1 . 1 . . . . . . . . 5992 1 793 . 1 1 71 71 ARG CD C 13 41.4 0.1 . 1 . . . . . . . . 5992 1 794 . 1 1 72 72 ILE H H 1 7.38 0.01 . 1 . . . . . . . . 5992 1 795 . 1 1 72 72 ILE HA H 1 4.05 0.01 . 1 . . . . . . . . 5992 1 796 . 1 1 72 72 ILE HB H 1 1.54 0.01 . 1 . . . . . . . . 5992 1 797 . 1 1 72 72 ILE HG21 H 1 0.27 0.01 . 1 . . . . . . . . 5992 1 798 . 1 1 72 72 ILE HG22 H 1 0.27 0.01 . 1 . . . . . . . . 5992 1 799 . 1 1 72 72 ILE HG23 H 1 0.27 0.01 . 1 . . . . . . . . 5992 1 800 . 1 1 72 72 ILE HG12 H 1 1.04 0.01 . 2 . . . . . . . . 5992 1 801 . 1 1 72 72 ILE HG13 H 1 1.13 0.01 . 2 . . . . . . . . 5992 1 802 . 1 1 72 72 ILE HD11 H 1 0.57 0.01 . 1 . . . . . . . . 5992 1 803 . 1 1 72 72 ILE HD12 H 1 0.57 0.01 . 1 . . . . . . . . 5992 1 804 . 1 1 72 72 ILE HD13 H 1 0.57 0.01 . 1 . . . . . . . . 5992 1 805 . 1 1 72 72 ILE N N 15 118.4 0.1 . 1 . . . . . . . . 5992 1 806 . 1 1 72 72 ILE CA C 13 59.7 0.1 . 1 . . . . . . . . 5992 1 807 . 1 1 72 72 ILE CB C 13 35.9 0.1 . 1 . . . . . . . . 5992 1 808 . 1 1 72 72 ILE CG1 C 13 26.9 0.1 . 1 . . . . . . . . 5992 1 809 . 1 1 72 72 ILE CG2 C 13 15.4 0.1 . 1 . . . . . . . . 5992 1 810 . 1 1 72 72 ILE CD1 C 13 11.3 0.1 . 1 . . . . . . . . 5992 1 811 . 1 1 73 73 MET H H 1 7.70 0.01 . 1 . . . . . . . . 5992 1 812 . 1 1 73 73 MET HA H 1 4.29 0.01 . 1 . . . . . . . . 5992 1 813 . 1 1 73 73 MET HB2 H 1 1.38 0.01 . 1 . . . . . . . . 5992 1 814 . 1 1 73 73 MET HB3 H 1 1.38 0.01 . 1 . . . . . . . . 5992 1 815 . 1 1 73 73 MET HG2 H 1 1.64 0.01 . 1 . . . . . . . . 5992 1 816 . 1 1 73 73 MET HG3 H 1 1.64 0.01 . 1 . . . . . . . . 5992 1 817 . 1 1 73 73 MET N N 15 120.7 0.1 . 1 . . . . . . . . 5992 1 818 . 1 1 73 73 MET CA C 13 53.5 0.1 . 1 . . . . . . . . 5992 1 819 . 1 1 73 73 MET CB C 13 38.5 0.1 . 1 . . . . . . . . 5992 1 820 . 1 1 74 74 LYS H H 1 7.60 0.01 . 1 . . . . . . . . 5992 1 821 . 1 1 74 74 LYS HA H 1 4.12 0.01 . 1 . . . . . . . . 5992 1 822 . 1 1 74 74 LYS HB2 H 1 1.85 0.01 . 1 . . . . . . . . 5992 1 823 . 1 1 74 74 LYS HB3 H 1 1.85 0.01 . 1 . . . . . . . . 5992 1 824 . 1 1 74 74 LYS HG2 H 1 1.49 0.01 . 2 . . . . . . . . 5992 1 825 . 1 1 74 74 LYS HG3 H 1 1.38 0.01 . 2 . . . . . . . . 5992 1 826 . 1 1 74 74 LYS HD2 H 1 1.64 0.01 . 1 . . . . . . . . 5992 1 827 . 1 1 74 74 LYS HD3 H 1 1.64 0.01 . 1 . . . . . . . . 5992 1 828 . 1 1 74 74 LYS HE2 H 1 2.91 0.01 . 1 . . . . . . . . 5992 1 829 . 1 1 74 74 LYS HE3 H 1 2.91 0.01 . 1 . . . . . . . . 5992 1 830 . 1 1 74 74 LYS N N 15 119.8 0.1 . 1 . . . . . . . . 5992 1 831 . 1 1 74 74 LYS CA C 13 55.8 0.1 . 1 . . . . . . . . 5992 1 832 . 1 1 74 74 LYS CB C 13 30.3 0.1 . 1 . . . . . . . . 5992 1 833 . 1 1 74 74 LYS CG C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 834 . 1 1 74 74 LYS CD C 13 34.4 0.1 . 1 . . . . . . . . 5992 1 835 . 1 1 74 74 LYS CE C 13 39.6 0.1 . 1 . . . . . . . . 5992 1 836 . 1 1 75 75 LYS H H 1 7.59 0.01 . 1 . . . . . . . . 5992 1 837 . 1 1 75 75 LYS HA H 1 4.25 0.01 . 1 . . . . . . . . 5992 1 838 . 1 1 75 75 LYS HB2 H 1 2.00 0.01 . 2 . . . . . . . . 5992 1 839 . 1 1 75 75 LYS HB3 H 1 1.85 0.01 . 2 . . . . . . . . 5992 1 840 . 1 1 75 75 LYS HG2 H 1 1.49 0.01 . 1 . . . . . . . . 5992 1 841 . 1 1 75 75 LYS HG3 H 1 1.49 0.01 . 1 . . . . . . . . 5992 1 842 . 1 1 75 75 LYS HD2 H 1 1.71 0.01 . 1 . . . . . . . . 5992 1 843 . 1 1 75 75 LYS HD3 H 1 1.71 0.01 . 1 . . . . . . . . 5992 1 844 . 1 1 75 75 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 5992 1 845 . 1 1 75 75 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 5992 1 846 . 1 1 75 75 LYS N N 15 119.5 0.1 . 1 . . . . . . . . 5992 1 847 . 1 1 75 75 LYS CA C 13 55.7 0.1 . 1 . . . . . . . . 5992 1 848 . 1 1 75 75 LYS CB C 13 31.0 0.1 . 1 . . . . . . . . 5992 1 849 . 1 1 75 75 LYS CG C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 850 . 1 1 75 75 LYS CD C 13 26.6 0.1 . 1 . . . . . . . . 5992 1 851 . 1 1 75 75 LYS CE C 13 39.6 0.1 . 1 . . . . . . . . 5992 1 852 . 1 1 76 76 THR H H 1 7.76 0.01 . 1 . . . . . . . . 5992 1 853 . 1 1 76 76 THR HA H 1 4.41 0.01 . 1 . . . . . . . . 5992 1 854 . 1 1 76 76 THR HB H 1 4.22 0.01 . 1 . . . . . . . . 5992 1 855 . 1 1 76 76 THR HG21 H 1 1.25 0.01 . 1 . . . . . . . . 5992 1 856 . 1 1 76 76 THR HG22 H 1 1.25 0.01 . 1 . . . . . . . . 5992 1 857 . 1 1 76 76 THR HG23 H 1 1.25 0.01 . 1 . . . . . . . . 5992 1 858 . 1 1 76 76 THR N N 15 113.8 0.1 . 1 . . . . . . . . 5992 1 859 . 1 1 76 76 THR CB C 13 67.9 0.1 . 1 . . . . . . . . 5992 1 860 . 1 1 76 76 THR CG2 C 13 19.5 0.1 . 1 . . . . . . . . 5992 1 861 . 1 1 77 77 SER H H 1 8.15 0.01 . 1 . . . . . . . . 5992 1 862 . 1 1 77 77 SER HA H 1 4.44 0.01 . 1 . . . . . . . . 5992 1 863 . 1 1 77 77 SER HB2 H 1 3.92 0.01 . 1 . . . . . . . . 5992 1 864 . 1 1 77 77 SER HB3 H 1 3.92 0.01 . 1 . . . . . . . . 5992 1 865 . 1 1 77 77 SER N N 15 117.8 0.1 . 1 . . . . . . . . 5992 1 866 . 1 1 77 77 SER CA C 13 56.4 0.1 . 1 . . . . . . . . 5992 1 867 . 1 1 77 77 SER CB C 13 61.6 0.1 . 1 . . . . . . . . 5992 1 868 . 1 1 78 78 LEU H H 1 8.33 0.01 . 1 . . . . . . . . 5992 1 869 . 1 1 78 78 LEU HA H 1 4.21 0.01 . 1 . . . . . . . . 5992 1 870 . 1 1 78 78 LEU HB2 H 1 1.50 0.01 . 2 . . . . . . . . 5992 1 871 . 1 1 78 78 LEU HB3 H 1 1.38 0.01 . 2 . . . . . . . . 5992 1 872 . 1 1 78 78 LEU HG H 1 1.50 0.01 . 1 . . . . . . . . 5992 1 873 . 1 1 78 78 LEU HD11 H 1 0.87 0.01 . 2 . . . . . . . . 5992 1 874 . 1 1 78 78 LEU HD12 H 1 0.87 0.01 . 2 . . . . . . . . 5992 1 875 . 1 1 78 78 LEU HD13 H 1 0.87 0.01 . 2 . . . . . . . . 5992 1 876 . 1 1 78 78 LEU HD21 H 1 0.81 0.01 . 2 . . . . . . . . 5992 1 877 . 1 1 78 78 LEU HD22 H 1 0.81 0.01 . 2 . . . . . . . . 5992 1 878 . 1 1 78 78 LEU HD23 H 1 0.81 0.01 . 2 . . . . . . . . 5992 1 879 . 1 1 78 78 LEU N N 15 124.6 0.1 . 1 . . . . . . . . 5992 1 880 . 1 1 78 78 LEU CA C 13 54.0 0.1 . 1 . . . . . . . . 5992 1 881 . 1 1 78 78 LEU CB C 13 40.7 0.1 . 1 . . . . . . . . 5992 1 882 . 1 1 78 78 LEU CG C 13 24.7 0.1 . 1 . . . . . . . . 5992 1 883 . 1 1 78 78 LEU CD1 C 13 21.4 0.1 . 1 . . . . . . . . 5992 1 884 . 1 1 78 78 LEU CD2 C 13 22.8 0.1 . 1 . . . . . . . . 5992 1 885 . 1 1 79 79 TYR H H 1 7.46 0.01 . 1 . . . . . . . . 5992 1 886 . 1 1 79 79 TYR HA H 1 4.39 0.01 . 1 . . . . . . . . 5992 1 887 . 1 1 79 79 TYR HB2 H 1 3.09 0.01 . 2 . . . . . . . . 5992 1 888 . 1 1 79 79 TYR HB3 H 1 2.79 0.01 . 2 . . . . . . . . 5992 1 889 . 1 1 79 79 TYR HD1 H 1 7.07 0.01 . 1 . . . . . . . . 5992 1 890 . 1 1 79 79 TYR HD2 H 1 7.07 0.01 . 1 . . . . . . . . 5992 1 891 . 1 1 79 79 TYR HE1 H 1 6.80 0.01 . 1 . . . . . . . . 5992 1 892 . 1 1 79 79 TYR HE2 H 1 6.80 0.01 . 1 . . . . . . . . 5992 1 893 . 1 1 79 79 TYR N N 15 123.3 0.1 . 1 . . . . . . . . 5992 1 894 . 1 1 79 79 TYR CA C 13 57.3 0.1 . 1 . . . . . . . . 5992 1 895 . 1 1 79 79 TYR CB C 13 38.2 0.1 . 1 . . . . . . . . 5992 1 stop_ save_ save_chemical_shift_assignment_P1-XPC _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_P1-XPC _Assigned_chem_shift_list.Entry_ID 5992 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_SC-CEN2-P1-XPC _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_one . 5992 2 . . 2 $sample_two . 5992 2 . . 3 $sample_three . 5992 2 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 . 2 2 1 1 ASN HA H 1 4.40 0.01 . 1 . . . . . . . . 5992 2 2 . 2 2 1 1 ASN HB2 H 1 2.79 0.01 . 1 . . . . . . . . 5992 2 3 . 2 2 1 1 ASN HB3 H 1 2.79 0.01 . 1 . . . . . . . . 5992 2 4 . 2 2 2 2 TRP H H 1 8.58 0.01 . 1 . . . . . . . . 5992 2 5 . 2 2 2 2 TRP HA H 1 4.18 0.01 . 1 . . . . . . . . 5992 2 6 . 2 2 2 2 TRP HB2 H 1 3.14 0.01 . 1 . . . . . . . . 5992 2 7 . 2 2 2 2 TRP HB3 H 1 3.14 0.01 . 1 . . . . . . . . 5992 2 8 . 2 2 2 2 TRP HD1 H 1 7.56 0.01 . 1 . . . . . . . . 5992 2 9 . 2 2 2 2 TRP HE1 H 1 10.02 0.01 . 1 . . . . . . . . 5992 2 10 . 2 2 2 2 TRP HE3 H 1 7.41 0.01 . 1 . . . . . . . . 5992 2 11 . 2 2 2 2 TRP HH2 H 1 6.73 0.01 . 1 . . . . . . . . 5992 2 12 . 2 2 2 2 TRP HZ2 H 1 7.08 0.01 . 1 . . . . . . . . 5992 2 13 . 2 2 2 2 TRP HZ3 H 1 6.17 0.01 . 1 . . . . . . . . 5992 2 14 . 2 2 3 3 LYS H H 1 7.80 0.01 . 1 . . . . . . . . 5992 2 15 . 2 2 3 3 LYS HA H 1 4.27 0.01 . 1 . . . . . . . . 5992 2 16 . 2 2 3 3 LYS HB2 H 1 1.91 0.01 . 1 . . . . . . . . 5992 2 17 . 2 2 3 3 LYS HB3 H 1 1.91 0.01 . 1 . . . . . . . . 5992 2 18 . 2 2 4 4 LEU H H 1 7.97 0.01 . 1 . . . . . . . . 5992 2 19 . 2 2 4 4 LEU HA H 1 4.04 0.01 . 1 . . . . . . . . 5992 2 20 . 2 2 4 4 LEU HB2 H 1 1.88 0.01 . 2 . . . . . . . . 5992 2 21 . 2 2 4 4 LEU HB3 H 1 1.72 0.01 . 2 . . . . . . . . 5992 2 22 . 2 2 5 5 LEU H H 1 8.63 0.01 . 1 . . . . . . . . 5992 2 23 . 2 2 5 5 LEU HA H 1 4.01 0.01 . 1 . . . . . . . . 5992 2 24 . 2 2 6 6 ALA H H 1 7.77 0.01 . 1 . . . . . . . . 5992 2 25 . 2 2 6 6 ALA HA H 1 4.16 0.01 . 1 . . . . . . . . 5992 2 26 . 2 2 6 6 ALA HB1 H 1 1.30 0.01 . 1 . . . . . . . . 5992 2 27 . 2 2 6 6 ALA HB2 H 1 1.30 0.01 . 1 . . . . . . . . 5992 2 28 . 2 2 6 6 ALA HB3 H 1 1.30 0.01 . 1 . . . . . . . . 5992 2 29 . 2 2 7 7 LYS H H 1 8.00 0.01 . 1 . . . . . . . . 5992 2 30 . 2 2 8 8 GLY H H 1 8.54 0.01 . 1 . . . . . . . . 5992 2 31 . 2 2 9 9 LEU H H 1 8.17 0.01 . 1 . . . . . . . . 5992 2 32 . 2 2 9 9 LEU HA H 1 3.98 0.01 . 1 . . . . . . . . 5992 2 33 . 2 2 9 9 LEU HB2 H 1 1.91 0.01 . 2 . . . . . . . . 5992 2 34 . 2 2 9 9 LEU HB3 H 1 1.31 0.01 . 2 . . . . . . . . 5992 2 35 . 2 2 9 9 LEU HG H 1 1.56 0.01 . 1 . . . . . . . . 5992 2 36 . 2 2 9 9 LEU HD11 H 1 0.63 0.01 . 2 . . . . . . . . 5992 2 37 . 2 2 9 9 LEU HD12 H 1 0.63 0.01 . 2 . . . . . . . . 5992 2 38 . 2 2 9 9 LEU HD13 H 1 0.63 0.01 . 2 . . . . . . . . 5992 2 39 . 2 2 9 9 LEU HD21 H 1 -0.06 0.01 . 2 . . . . . . . . 5992 2 40 . 2 2 9 9 LEU HD22 H 1 -0.06 0.01 . 2 . . . . . . . . 5992 2 41 . 2 2 9 9 LEU HD23 H 1 -0.06 0.01 . 2 . . . . . . . . 5992 2 42 . 2 2 10 10 LEU H H 1 8.00 0.01 . 1 . . . . . . . . 5992 2 43 . 2 2 11 11 ILE H H 1 8.06 0.01 . 1 . . . . . . . . 5992 2 44 . 2 2 11 11 ILE HA H 1 4.02 0.01 . 1 . . . . . . . . 5992 2 45 . 2 2 11 11 ILE HG21 H 1 0.67 0.01 . 1 . . . . . . . . 5992 2 46 . 2 2 11 11 ILE HG22 H 1 0.67 0.01 . 1 . . . . . . . . 5992 2 47 . 2 2 11 11 ILE HG23 H 1 0.67 0.01 . 1 . . . . . . . . 5992 2 48 . 2 2 12 12 ARG H H 1 8.66 0.01 . 1 . . . . . . . . 5992 2 49 . 2 2 12 12 ARG HA H 1 4.19 0.01 . 1 . . . . . . . . 5992 2 50 . 2 2 13 13 GLU H H 1 8.54 0.01 . 1 . . . . . . . . 5992 2 51 . 2 2 14 14 ARG H H 1 7.86 0.01 . 1 . . . . . . . . 5992 2 52 . 2 2 15 15 LEU H H 1 7.93 0.01 . 1 . . . . . . . . 5992 2 stop_ save_