data_11013 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The dynein stalk head, the microtubule binding domain of dynein, derived from mouse ; _BMRB_accession_number 11013 _BMRB_flat_file_name bmr11013.str _Entry_type original _Submission_date 2007-11-03 _Accession_date 2007-11-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shimizu Youske . . 2 Kato Yusuke . . 3 Morii Hisayuki . . 4 Edamatsu Masaki . . 5 Toyoshima Yoko Yano . 6 Tanokura Masaru . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 177 "13C chemical shifts" 405 "15N chemical shifts" 131 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-18 original author . stop_ _Original_release_date 2008-06-18 save_ ############################# # Citation for this entry # ############################# save_cite1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The dynein stalk head, the microtubule binding-domain of dynein: NMR assignment and ligand binding' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18491033 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shimizu Youske . . 2 Kato Yusuke . . 3 Morii Hisayuki . . 4 Edamatsu Masaki . . 5 Toyoshima Yoko Yano . 6 Tanokura Masaru . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 41 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 89 _Page_last 96 _Year 2008 _Details . loop_ _Keyword 'backbone assignment' 'dynein stalk head' microtubule-binding 'NMR analysis' 'secondary structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'dynein heavy chain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'subunit 1' $DS(8:5) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DS(8:5) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DS(8:5) _Molecular_mass . _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; MEDLDKVEPAVIEAQNAVKS IKKQHLVEVRSMANPPAAVK LALESICLLLGESTTDWKQI RSIIMRENFIPTIVNFSAEE ISDAIREKMKKNYMSNPSYN YEIVNRASLACGPMVKWAIA QLNYADMLKRVEPLRNEHHH HHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 ASP 4 LEU 5 ASP 6 LYS 7 VAL 8 GLU 9 PRO 10 ALA 11 VAL 12 ILE 13 GLU 14 ALA 15 GLN 16 ASN 17 ALA 18 VAL 19 LYS 20 SER 21 ILE 22 LYS 23 LYS 24 GLN 25 HIS 26 LEU 27 VAL 28 GLU 29 VAL 30 ARG 31 SER 32 MET 33 ALA 34 ASN 35 PRO 36 PRO 37 ALA 38 ALA 39 VAL 40 LYS 41 LEU 42 ALA 43 LEU 44 GLU 45 SER 46 ILE 47 CYS 48 LEU 49 LEU 50 LEU 51 GLY 52 GLU 53 SER 54 THR 55 THR 56 ASP 57 TRP 58 LYS 59 GLN 60 ILE 61 ARG 62 SER 63 ILE 64 ILE 65 MET 66 ARG 67 GLU 68 ASN 69 PHE 70 ILE 71 PRO 72 THR 73 ILE 74 VAL 75 ASN 76 PHE 77 SER 78 ALA 79 GLU 80 GLU 81 ILE 82 SER 83 ASP 84 ALA 85 ILE 86 ARG 87 GLU 88 LYS 89 MET 90 LYS 91 LYS 92 ASN 93 TYR 94 MET 95 SER 96 ASN 97 PRO 98 SER 99 TYR 100 ASN 101 TYR 102 GLU 103 ILE 104 VAL 105 ASN 106 ARG 107 ALA 108 SER 109 LEU 110 ALA 111 CYS 112 GLY 113 PRO 114 MET 115 VAL 116 LYS 117 TRP 118 ALA 119 ILE 120 ALA 121 GLN 122 LEU 123 ASN 124 TYR 125 ALA 126 ASP 127 MET 128 LEU 129 LYS 130 ARG 131 VAL 132 GLU 133 PRO 134 LEU 135 ARG 136 ASN 137 GLU 138 HIS 139 HIS 140 HIS 141 HIS 142 HIS 143 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3ERR "Microtubule Binding Domain From Mouse Cytoplasmic Dynein As A Fusion With Seryl-Trna Synthetase" 95.10 536 98.53 98.53 1.57e-85 PDB 3J1T "High Affinity Dynein Microtubule Binding Domain - Tubulin Complex" 95.10 164 100.00 100.00 6.07e-94 PDB 3J1U "Low Affinity Dynein Microtubule Binding Domain - Tubulin Complex" 95.10 164 100.00 100.00 6.07e-94 PDB 3WUQ "Structure Of The Entire Stalk Region Of The Dynein Motor Domain" 95.10 283 100.00 100.00 6.24e-94 DBJ BAA02996 "cytoplasmic dynein heavy chain [Rattus norvegicus]" 95.10 4644 100.00 100.00 1.69e-83 DBJ BAA20783 "KIAA0325 protein [Homo sapiens]" 95.10 4658 100.00 100.00 1.88e-83 DBJ BAC65531 "mKIAA0325 protein [Mus musculus]" 95.10 1999 100.00 100.00 1.14e-83 DBJ BAE90822 "unnamed protein product [Macaca fascicularis]" 95.10 670 100.00 100.00 1.12e-87 DBJ BAG06711 "DYNC1H1 variant protein [Homo sapiens]" 95.10 4646 100.00 100.00 1.76e-83 GB AAA41103 "dynein heavy chain [Rattus norvegicus]" 95.10 4644 100.00 100.00 1.75e-83 GB AAF91078 "cytoplasmic dynein heavy chain [Mus musculus]" 95.10 4644 100.00 100.00 1.72e-83 GB AAT74625 "dynein, cytoplasmic, heavy polypeptide 1 [Homo sapiens]" 95.10 4646 100.00 100.00 1.76e-83 GB ACI03592 "dynein microtubule-binding domain (103:96) fused with seryl-tRNA synthetase-monomer [synthetic construct]" 95.10 707 100.00 100.00 2.03e-87 GB ACI03593 "dynein microtubule-binding domain (100:96) fused to seryl-tRNA synthase-monomer [synthetic construct]" 95.10 704 100.00 100.00 1.67e-87 REF NP_001193067 "cytoplasmic dynein 1 heavy chain 1 [Bos taurus]" 95.10 4645 100.00 100.00 1.91e-83 REF NP_001367 "cytoplasmic dynein 1 heavy chain 1 [Homo sapiens]" 95.10 4646 100.00 100.00 1.76e-83 REF NP_062099 "cytoplasmic dynein 1 heavy chain 1 [Rattus norvegicus]" 95.10 4644 100.00 100.00 1.75e-83 REF NP_084514 "cytoplasmic dynein 1 heavy chain 1 [Mus musculus]" 95.10 4644 100.00 100.00 1.72e-83 REF XP_001112455 "PREDICTED: cytoplasmic dynein 1 heavy chain 1-like [Macaca mulatta]" 95.10 4524 100.00 100.00 1.91e-83 SP P38650 "RecName: Full=Cytoplasmic dynein 1 heavy chain 1; AltName: Full=Cytoplasmic dynein heavy chain 1; AltName: Full=Dynein heavy ch" 95.10 4644 100.00 100.00 1.69e-83 SP Q14204 "RecName: Full=Cytoplasmic dynein 1 heavy chain 1; AltName: Full=Cytoplasmic dynein heavy chain 1; AltName: Full=Dynein heavy ch" 95.10 4646 100.00 100.00 1.76e-83 SP Q9JHU4 "RecName: Full=Cytoplasmic dynein 1 heavy chain 1; AltName: Full=Cytoplasmic dynein heavy chain 1; AltName: Full=Dynein heavy ch" 95.10 4644 100.00 100.00 1.72e-83 TPG DAA17428 "TPA: cytoplasmic dynein 1 heavy chain 1-like [Bos taurus]" 95.10 4645 100.00 100.00 1.91e-83 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DS(8:5) Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $DS(8:5) 'recombinant technology' . Escherichia coli 'BL21-CodonPlus (DE3)' pET17b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DS(8:5) 0.13 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'potassium chloride' 75 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' DTT 1 mM 'natural abundance' p-ABSF 0.1 mM 'natural abundance' sucrose 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 85 . mM pH 6.7 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'The list provides data from natural conformation protein' loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D H(CCO)NH' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLU HA H 4.547 . 1 2 2 2 GLU C C 175.8 . 1 3 2 2 GLU CA C 57.18 0.05 1 4 2 2 GLU CB C 31.22 0.09 1 5 3 3 ASP H H 8.711 0.003 1 6 3 3 ASP HA H 4.848 . 1 7 3 3 ASP C C 177.2 . 1 8 3 3 ASP CA C 55.59 0.15 1 9 3 3 ASP CB C 41.74 0.09 1 10 3 3 ASP N N 121.00 0.05 1 11 4 4 LEU H H 8.551 0.003 1 12 4 4 LEU HA H 4.375 . 1 13 4 4 LEU C C 178.1 . 1 14 4 4 LEU CA C 57.23 0.05 1 15 4 4 LEU CB C 42.37 0.25 1 16 4 4 LEU N N 122.24 0.02 1 17 5 5 ASP H H 8.507 0.004 1 18 5 5 ASP HA H 4.713 . 1 19 5 5 ASP C C 176.8 . 1 20 5 5 ASP CA C 56.30 0.21 1 21 5 5 ASP CB C 41.30 0.09 1 22 5 5 ASP N N 118.43 0.04 1 23 6 6 LYS H H 8.056 0.004 1 24 6 6 LYS HA H 4.537 . 1 25 6 6 LYS CA C 57.37 . 1 26 6 6 LYS N N 117.99 0.03 1 27 11 11 VAL C C 177.1 . 1 28 11 11 VAL CA C 67.49 0.10 1 29 11 11 VAL CB C 32.98 0.18 1 30 12 12 ILE H H 7.637 0.011 1 31 12 12 ILE C C 178.9 . 1 32 12 12 ILE CA C 64.70 0.25 1 33 12 12 ILE CB C 38.55 0.07 1 34 12 12 ILE N N 121.05 0.07 1 35 13 13 GLU H H 8.436 0.007 1 36 13 13 GLU HA H 4.280 . 1 37 13 13 GLU C C 179.8 . 1 38 13 13 GLU CA C 60.10 0.19 1 39 13 13 GLU CB C 30.45 0.01 1 40 13 13 GLU N N 119.10 0.07 1 41 14 14 ALA H H 8.136 0.001 1 42 14 14 ALA C C 180.0 . 1 43 14 14 ALA CA C 55.85 0.14 1 44 14 14 ALA CB C 19.22 0.37 1 45 14 14 ALA N N 121.73 0.02 1 46 15 15 GLN H H 9.200 0.004 1 47 15 15 GLN C C 178.4 . 1 48 15 15 GLN CA C 60.72 0.08 1 49 15 15 GLN CB C 29.71 0.04 1 50 15 15 GLN N N 118.96 0.04 1 51 16 16 ASN H H 8.468 0.007 1 52 16 16 ASN C C 178.0 . 1 53 16 16 ASN CA C 56.71 0.15 1 54 16 16 ASN CB C 38.37 0.13 1 55 16 16 ASN N N 117.28 0.09 1 56 17 17 ALA H H 8.252 0.002 1 57 17 17 ALA C C 180.7 . 1 58 17 17 ALA CA C 55.70 0.06 1 59 17 17 ALA CB C 18.41 0.17 1 60 17 17 ALA N N 124.05 0.08 1 61 18 18 VAL H H 8.378 0.005 1 62 18 18 VAL HA H 5.002 . 1 63 18 18 VAL C C 177.8 . 1 64 18 18 VAL CA C 66.37 0.13 1 65 18 18 VAL CB C 32.35 . 1 66 18 18 VAL N N 119.77 0.04 1 67 19 19 LYS H H 8.288 0.006 1 68 19 19 LYS C C 177.5 . 1 69 19 19 LYS CA C 59.89 0.10 1 70 19 19 LYS CB C 33.49 0.18 1 71 19 19 LYS N N 118.10 0.04 1 72 20 20 SER H H 7.504 0.003 1 73 20 20 SER HA H 4.568 . 1 74 20 20 SER C C 174.2 . 1 75 20 20 SER CA C 59.38 0.07 1 76 20 20 SER CB C 64.89 0.16 1 77 20 20 SER N N 111.17 0.02 1 78 21 21 ILE H H 7.628 0.005 1 79 21 21 ILE C C 177.0 . 1 80 21 21 ILE CA C 64.05 0.04 1 81 21 21 ILE CB C 39.70 0.18 1 82 21 21 ILE N N 124.04 0.05 1 83 22 22 LYS H H 9.136 0.007 1 84 22 22 LYS C C 178.3 . 1 85 22 22 LYS CA C 56.53 0.07 1 86 22 22 LYS CB C 33.42 0.16 1 87 22 22 LYS N N 129.36 0.02 1 88 23 23 LYS H H 9.076 0.007 1 89 23 23 LYS HA H 5.046 . 1 90 23 23 LYS C C 179.1 . 1 91 23 23 LYS CA C 60.85 0.19 1 92 23 23 LYS CB C 32.63 0.09 1 93 23 23 LYS N N 125.20 0.05 1 94 24 24 GLN H H 9.157 0.005 1 95 24 24 GLN HA H 5.035 . 1 96 24 24 GLN C C 178.1 . 1 97 24 24 GLN CA C 59.28 0.17 1 98 24 24 GLN CB C 28.59 0.08 1 99 24 24 GLN N N 115.66 0.02 1 100 25 25 HIS H H 7.457 0.006 1 101 25 25 HIS C C 179.3 . 1 102 25 25 HIS CA C 58.73 0.11 1 103 25 25 HIS CB C 31.87 0.15 1 104 25 25 HIS N N 118.29 0.07 1 105 26 26 LEU H H 7.809 0.004 1 106 26 26 LEU C C 178.5 . 1 107 26 26 LEU CA C 58.38 0.09 1 108 26 26 LEU CB C 42.26 0.15 1 109 26 26 LEU N N 122.95 0.04 1 110 27 27 VAL H H 8.638 0.003 1 111 27 27 VAL C C 179.0 . 1 112 27 27 VAL CA C 67.32 0.17 1 113 27 27 VAL CB C 32.31 0.16 1 114 27 27 VAL N N 120.66 0.03 1 115 28 28 GLU H H 7.962 0.003 1 116 28 28 GLU HA H 4.283 . 1 117 28 28 GLU C C 179.2 . 1 118 28 28 GLU CA C 60.40 0.07 1 119 28 28 GLU CB C 30.77 0.08 1 120 28 28 GLU N N 119.16 0.02 1 121 29 29 VAL H H 7.367 0.003 1 122 29 29 VAL HA H 4.574 . 1 123 29 29 VAL C C 177.4 . 1 124 29 29 VAL CA C 65.60 0.17 1 125 29 29 VAL CB C 32.45 0.09 1 126 29 29 VAL N N 116.66 0.04 1 127 30 30 ARG H H 8.270 0.002 1 128 30 30 ARG HA H 3.996 . 1 129 30 30 ARG C C 177.0 . 1 130 30 30 ARG CA C 59.80 0.09 1 131 30 30 ARG CB C 30.90 0.07 1 132 30 30 ARG N N 119.13 0.04 1 133 31 31 SER H H 7.887 0.004 1 134 31 31 SER HA H 4.582 . 1 135 31 31 SER C C 174.0 . 1 136 31 31 SER CA C 59.68 0.10 1 137 31 31 SER CB C 64.73 0.16 1 138 31 31 SER N N 111.31 0.01 1 139 32 32 MET H H 7.771 0.005 1 140 32 32 MET C C 175.4 . 1 141 32 32 MET CA C 57.71 0.11 1 142 32 32 MET CB C 33.69 0.23 1 143 32 32 MET N N 121.82 0.03 1 144 33 33 ALA H H 8.774 0.006 1 145 33 33 ALA HA H 4.976 . 1 146 33 33 ALA C C 177.9 . 1 147 33 33 ALA CA C 54.60 0.15 1 148 33 33 ALA CB C 20.05 0.23 1 149 33 33 ALA N N 128.15 0.01 1 150 34 34 ASN H H 8.354 0.003 1 151 34 34 ASN HA H 5.024 . 1 152 34 34 ASN CA C 51.33 . 1 153 34 34 ASN N N 114.36 0.03 1 154 36 36 PRO HA H 4.767 . 1 155 36 36 PRO C C 177.4 . 1 156 36 36 PRO CA C 62.81 0.04 1 157 36 36 PRO CB C 33.08 0.13 1 158 37 37 ALA H H 9.069 0.004 1 159 37 37 ALA HA H 5.013 . 1 160 37 37 ALA C C 180.2 . 1 161 37 37 ALA CA C 56.55 0.10 1 162 37 37 ALA CB C 18.47 0.21 1 163 37 37 ALA N N 127.32 0.02 1 164 38 38 ALA H H 9.202 0.004 1 165 38 38 ALA HA H 5.039 . 1 166 38 38 ALA C C 179.6 . 1 167 38 38 ALA CA C 56.09 0.16 1 168 38 38 ALA CB C 19.53 0.30 1 169 38 38 ALA N N 117.13 0.02 1 170 39 39 VAL H H 7.025 0.002 1 171 39 39 VAL C C 176.8 . 1 172 39 39 VAL CA C 66.10 0.19 1 173 39 39 VAL CB C 33.06 0.15 1 174 39 39 VAL N N 114.92 0.02 1 175 40 40 LYS H H 7.691 0.002 1 176 40 40 LYS C C 177.8 . 1 177 40 40 LYS CA C 61.56 0.11 1 178 40 40 LYS CB C 33.21 0.22 1 179 40 40 LYS N N 119.68 0.02 1 180 41 41 LEU H H 8.592 0.004 1 181 41 41 LEU C C 179.1 . 1 182 41 41 LEU CA C 58.84 0.07 1 183 41 41 LEU CB C 43.96 0.14 1 184 41 41 LEU N N 117.61 0.09 1 185 42 42 ALA H H 7.897 0.002 1 186 42 42 ALA C C 181.5 . 1 187 42 42 ALA CA C 56.35 0.10 1 188 42 42 ALA CB C 19.80 0.28 1 189 42 42 ALA N N 117.82 0.04 1 190 43 43 LEU H H 8.754 0.002 1 191 43 43 LEU C C 179.6 . 1 192 43 43 LEU CA C 58.78 0.11 1 193 43 43 LEU CB C 42.58 0.19 1 194 43 43 LEU N N 118.39 0.01 1 195 44 44 GLU H H 9.576 0.002 1 196 44 44 GLU HA H 4.063 . 1 197 44 44 GLU C C 180.7 . 1 198 44 44 GLU CA C 61.23 0.06 1 199 44 44 GLU CB C 30.90 . 1 200 44 44 GLU N N 121.72 0.03 1 201 45 45 SER H H 7.878 0.001 1 202 45 45 SER C C 173.8 . 1 203 45 45 SER CA C 62.42 0.21 1 204 45 45 SER N N 115.84 0.03 1 205 46 46 ILE H H 7.370 0.004 1 206 46 46 ILE C C 177.6 . 1 207 46 46 ILE CA C 62.78 0.08 1 208 46 46 ILE CB C 36.52 0.16 1 209 46 46 ILE N N 123.11 0.02 1 210 47 47 CYS H H 8.128 0.003 1 211 47 47 CYS C C 176.0 . 1 212 47 47 CYS CA C 66.01 0.21 1 213 47 47 CYS CB C 26.45 0.20 1 214 47 47 CYS N N 117.47 0.06 1 215 48 48 LEU H H 7.929 0.001 1 216 48 48 LEU C C 179.8 . 1 217 48 48 LEU CA C 58.87 0.04 1 218 48 48 LEU CB C 41.83 0.14 1 219 48 48 LEU N N 118.97 0.06 1 220 49 49 LEU H H 7.968 0.002 1 221 49 49 LEU C C 177.1 . 1 222 49 49 LEU CA C 59.37 0.05 1 223 49 49 LEU CB C 42.41 0.22 1 224 49 49 LEU N N 120.76 0.02 1 225 50 50 LEU H H 7.933 0.003 1 226 50 50 LEU HA H 4.232 . 1 227 50 50 LEU C C 177.9 . 1 228 50 50 LEU CA C 55.86 0.13 1 229 50 50 LEU CB C 42.66 0.14 1 230 50 50 LEU N N 112.81 0.03 1 231 51 51 GLY H H 8.060 0.002 1 232 51 51 GLY HA2 H 4.433 . 2 233 51 51 GLY C C 175.1 . 1 234 51 51 GLY CA C 46.45 0.62 1 235 51 51 GLY N N 107.02 0.02 1 236 52 52 GLU H H 8.496 0.005 1 237 52 52 GLU HA H 4.722 . 1 238 52 52 GLU C C 175.2 . 1 239 52 52 GLU CA C 55.08 0.13 1 240 52 52 GLU CB C 31.23 0.11 1 241 52 52 GLU N N 122.03 0.10 1 242 53 53 SER H H 8.231 0.003 1 243 53 53 SER HA H 5.042 . 1 244 53 53 SER C C 174.4 . 1 245 53 53 SER CA C 59.86 0.07 1 246 53 53 SER CB C 64.14 0.17 1 247 53 53 SER N N 114.43 0.02 1 248 54 54 THR H H 8.069 0.003 1 249 54 54 THR C C 172.9 . 1 250 54 54 THR CA C 61.38 0.03 1 251 54 54 THR CB C 69.21 0.15 1 252 54 54 THR N N 118.30 0.02 1 253 55 55 THR H H 8.660 0.003 1 254 55 55 THR HA H 4.754 . 1 255 55 55 THR C C 174.0 . 1 256 55 55 THR CA C 61.63 0.08 1 257 55 55 THR CB C 69.86 0.36 1 258 55 55 THR N N 115.19 0.07 1 259 56 56 ASP H H 8.641 0.007 1 260 56 56 ASP C C 176.9 . 1 261 56 56 ASP CA C 53.91 0.17 1 262 56 56 ASP CB C 43.23 0.06 1 263 56 56 ASP N N 124.64 0.05 1 264 57 57 TRP H H 9.795 0.010 1 265 57 57 TRP HA H 5.058 . 1 266 57 57 TRP C C 176.1 . 1 267 57 57 TRP CA C 60.24 0.09 1 268 57 57 TRP CB C 31.00 0.10 1 269 57 57 TRP N N 128.33 0.05 1 270 58 58 LYS H H 8.448 0.002 1 271 58 58 LYS C C 179.6 . 1 272 58 58 LYS CA C 60.88 0.09 1 273 58 58 LYS CB C 32.34 0.05 1 274 58 58 LYS N N 116.58 0.02 1 275 59 59 GLN H H 7.601 0.003 1 276 59 59 GLN HA H 4.363 . 1 277 59 59 GLN C C 178.9 . 1 278 59 59 GLN CA C 58.62 0.06 1 279 59 59 GLN CB C 29.01 0.55 1 280 59 59 GLN N N 118.58 0.01 1 281 60 60 ILE H H 8.412 0.005 1 282 60 60 ILE C C 177.2 . 1 283 60 60 ILE CA C 66.29 0.09 1 284 60 60 ILE CB C 38.36 0.00 1 285 60 60 ILE N N 122.24 0.07 1 286 61 61 ARG H H 8.222 0.005 1 287 61 61 ARG C C 176.9 . 1 288 61 61 ARG CA C 60.01 0.06 1 289 61 61 ARG CB C 30.46 0.14 1 290 61 61 ARG N N 117.10 0.04 1 291 62 62 SER H H 7.098 0.002 1 292 62 62 SER C C 176.4 . 1 293 62 62 SER CA C 61.84 0.08 1 294 62 62 SER CB C 63.78 0.08 1 295 62 62 SER N N 111.80 0.02 1 296 63 63 ILE H H 7.718 0.004 1 297 63 63 ILE C C 177.9 . 1 298 63 63 ILE CA C 66.43 0.13 1 299 63 63 ILE CB C 38.48 0.07 1 300 63 63 ILE N N 124.14 0.05 1 301 64 64 ILE H H 7.531 0.002 1 302 64 64 ILE C C 176.5 . 1 303 64 64 ILE CA C 62.97 0.07 1 304 64 64 ILE CB C 37.72 0.18 1 305 64 64 ILE N N 110.00 0.01 1 306 65 65 MET H H 7.219 0.001 1 307 65 65 MET HA H 4.467 . 1 308 65 65 MET C C 177.1 . 1 309 65 65 MET CA C 55.32 0.09 1 310 65 65 MET CB C 33.23 0.13 1 311 65 65 MET N N 116.60 0.02 1 312 66 66 ARG H H 7.656 0.003 1 313 66 66 ARG C C 178.9 . 1 314 66 66 ARG CA C 58.23 0.09 1 315 66 66 ARG CB C 32.06 0.03 1 316 66 66 ARG N N 121.14 0.02 1 317 67 67 GLU H H 9.232 0.004 1 318 67 67 GLU HA H 5.002 . 1 319 67 67 GLU CA C 59.86 0.10 1 320 67 67 GLU CB C 29.87 . 1 321 67 67 GLU N N 124.81 0.02 1 322 71 71 PRO C C 178.1 . 1 323 71 71 PRO CA C 66.85 0.03 1 324 71 71 PRO CB C 31.59 0.15 1 325 72 72 THR H H 7.931 0.001 1 326 72 72 THR C C 176.4 . 1 327 72 72 THR CA C 67.58 0.32 1 328 72 72 THR CB C 69.28 . 1 329 72 72 THR N N 113.35 0.02 1 330 73 73 ILE H H 7.444 0.003 1 331 73 73 ILE C C 178.0 . 1 332 73 73 ILE CA C 65.31 0.20 1 333 73 73 ILE CB C 37.83 0.07 1 334 73 73 ILE N N 121.57 0.08 1 335 74 74 VAL H H 8.371 0.001 1 336 74 74 VAL C C 177.1 . 1 337 74 74 VAL CA C 67.73 0.21 1 338 74 74 VAL CB C 32.47 0.11 1 339 74 74 VAL N N 117.36 0.02 1 340 75 75 ASN H H 8.010 0.002 1 341 75 75 ASN HA H 4.851 . 1 342 75 75 ASN C C 174.5 . 1 343 75 75 ASN CA C 54.38 0.17 1 344 75 75 ASN CB C 40.09 0.12 1 345 75 75 ASN N N 114.48 0.02 1 346 76 76 PHE H H 7.600 0.003 1 347 76 76 PHE C C 175.2 . 1 348 76 76 PHE CA C 60.32 0.05 1 349 76 76 PHE CB C 41.61 0.16 1 350 76 76 PHE N N 123.58 0.02 1 351 77 77 SER H H 8.208 0.004 1 352 77 77 SER HA H 5.030 . 1 353 77 77 SER C C 174.4 . 1 354 77 77 SER CA C 56.70 0.09 1 355 77 77 SER CB C 65.13 0.16 1 356 77 77 SER N N 123.12 0.02 1 357 78 78 ALA H H 9.083 0.004 1 358 78 78 ALA C C 179.0 . 1 359 78 78 ALA CA C 55.22 0.22 1 360 78 78 ALA CB C 19.82 0.25 1 361 78 78 ALA N N 128.78 0.03 1 362 79 79 GLU H H 8.633 0.003 1 363 79 79 GLU C C 177.0 . 1 364 79 79 GLU CA C 59.39 0.09 1 365 79 79 GLU CB C 30.19 0.08 1 366 79 79 GLU N N 116.93 0.02 1 367 80 80 GLU H H 7.884 0.002 1 368 80 80 GLU HA H 4.424 . 1 369 80 80 GLU C C 177.1 . 1 370 80 80 GLU CA C 57.04 0.08 1 371 80 80 GLU CB C 30.58 0.08 1 372 80 80 GLU N N 115.80 0.05 1 373 81 81 ILE H H 7.594 0.002 1 374 81 81 ILE C C 175.6 . 1 375 81 81 ILE CA C 63.54 0.09 1 376 81 81 ILE CB C 38.17 . 1 377 81 81 ILE N N 120.15 0.06 1 378 82 82 SER H H 8.013 0.003 1 379 82 82 SER HA H 4.521 . 1 380 82 82 SER C C 174.7 . 1 381 82 82 SER CA C 57.87 0.09 1 382 82 82 SER CB C 66.17 0.12 1 383 82 82 SER N N 125.77 0.03 1 384 83 83 ASP H H 9.273 0.004 1 385 83 83 ASP C C 178.6 . 1 386 83 83 ASP CA C 58.66 0.11 1 387 83 83 ASP CB C 40.55 0.17 1 388 83 83 ASP N N 121.97 0.02 1 389 84 84 ALA H H 8.665 0.002 1 390 84 84 ALA HA H 4.972 . 1 391 84 84 ALA C C 181.2 . 1 392 84 84 ALA CA C 55.77 0.13 1 393 84 84 ALA CB C 18.99 0.24 1 394 84 84 ALA N N 121.40 0.03 1 395 85 85 ILE H H 7.838 0.007 1 396 85 85 ILE C C 177.7 . 1 397 85 85 ILE CA C 65.40 0.13 1 398 85 85 ILE CB C 37.75 0.09 1 399 85 85 ILE N N 120.16 0.04 1 400 86 86 ARG H H 8.674 0.006 1 401 86 86 ARG C C 178.2 . 1 402 86 86 ARG CA C 61.42 0.15 1 403 86 86 ARG CB C 31.31 0.16 1 404 86 86 ARG N N 120.93 0.02 1 405 87 87 GLU H H 8.290 0.002 1 406 87 87 GLU C C 178.8 . 1 407 87 87 GLU CA C 59.96 0.19 1 408 87 87 GLU CB C 30.41 0.12 1 409 87 87 GLU N N 116.85 0.03 1 410 88 88 LYS H H 8.039 0.006 1 411 88 88 LYS C C 179.5 . 1 412 88 88 LYS CA C 60.53 0.12 1 413 88 88 LYS CB C 33.76 0.13 1 414 88 88 LYS N N 120.31 0.07 1 415 89 89 MET H H 9.086 0.002 1 416 89 89 MET C C 179.7 . 1 417 89 89 MET CA C 58.13 0.04 1 418 89 89 MET CB C 32.18 0.14 1 419 89 89 MET N N 118.61 0.01 1 420 90 90 LYS H H 8.208 0.004 1 421 90 90 LYS C C 178.3 . 1 422 90 90 LYS CA C 61.00 0.13 1 423 90 90 LYS CB C 33.27 0.19 1 424 90 90 LYS N N 120.21 0.01 1 425 91 91 LYS H H 8.495 0.005 1 426 91 91 LYS C C 179.0 . 1 427 91 91 LYS CA C 59.47 0.13 1 428 91 91 LYS CB C 33.81 0.26 1 429 91 91 LYS N N 116.94 0.05 1 430 92 92 ASN H H 8.616 0.002 1 431 92 92 ASN HA H 4.821 . 1 432 92 92 ASN C C 174.8 . 1 433 92 92 ASN CA C 55.01 0.12 1 434 92 92 ASN CB C 39.88 0.11 1 435 92 92 ASN N N 114.86 0.02 1 436 93 93 TYR H H 7.257 0.001 1 437 93 93 TYR HA H 4.485 . 1 438 93 93 TYR C C 175.9 . 1 439 93 93 TYR CA C 61.68 0.11 1 440 93 93 TYR CB C 39.08 0.05 1 441 93 93 TYR N N 115.24 0.03 1 442 94 94 MET H H 8.448 0.002 1 443 94 94 MET C C 177.0 . 1 444 94 94 MET CA C 58.55 0.10 1 445 94 94 MET CB C 33.02 0.35 1 446 94 94 MET N N 114.23 0.04 1 447 95 95 SER H H 7.380 0.003 1 448 95 95 SER HA H 4.578 . 1 449 95 95 SER C C 173.8 . 1 450 95 95 SER CA C 58.49 0.12 1 451 95 95 SER CB C 64.46 0.17 1 452 95 95 SER N N 109.02 0.02 1 453 96 96 ASN H H 7.923 0.004 1 454 96 96 ASN HA H 5.127 . 1 455 96 96 ASN CA C 51.97 0.05 1 456 96 96 ASN CB C 40.89 . 1 457 96 96 ASN N N 125.42 0.02 1 458 97 97 PRO HA H 4.588 . 1 459 97 97 PRO C C 177.8 . 1 460 97 97 PRO CA C 65.38 0.04 1 461 97 97 PRO CB C 33.00 0.17 1 462 98 98 SER H H 8.809 0.003 1 463 98 98 SER HA H 4.008 . 1 464 98 98 SER C C 172.7 . 1 465 98 98 SER CA C 60.03 0.10 1 466 98 98 SER CB C 63.98 0.20 1 467 98 98 SER N N 111.84 0.02 1 468 99 99 TYR H H 8.401 0.002 1 469 99 99 TYR C C 173.0 . 1 470 99 99 TYR CA C 58.78 0.23 1 471 99 99 TYR CB C 38.97 0.14 1 472 99 99 TYR N N 123.52 0.04 1 473 100 100 ASN H H 7.517 0.003 1 474 100 100 ASN HA H 4.735 . 1 475 100 100 ASN C C 173.8 . 1 476 100 100 ASN CA C 53.38 0.13 1 477 100 100 ASN CB C 42.49 0.10 1 478 100 100 ASN N N 120.27 0.02 1 479 101 101 TYR H H 9.522 0.005 1 480 101 101 TYR HA H 5.031 . 1 481 101 101 TYR C C 174.9 . 1 482 101 101 TYR CA C 62.97 0.12 1 483 101 101 TYR CB C 39.38 0.14 1 484 101 101 TYR N N 124.40 0.03 1 485 102 102 GLU H H 8.533 0.002 1 486 102 102 GLU C C 179.5 . 1 487 102 102 GLU CA C 61.04 0.16 1 488 102 102 GLU CB C 29.60 0.06 1 489 102 102 GLU N N 118.13 0.03 1 490 103 103 ILE H H 8.098 0.002 1 491 103 103 ILE C C 179.1 . 1 492 103 103 ILE CA C 65.06 0.31 1 493 103 103 ILE CB C 38.79 0.13 1 494 103 103 ILE N N 118.26 0.01 1 495 104 104 VAL H H 8.207 0.002 1 496 104 104 VAL C C 177.2 . 1 497 104 104 VAL CA C 67.45 0.17 1 498 104 104 VAL CB C 32.71 . 1 499 104 104 VAL N N 119.81 0.02 1 500 105 105 ASN H H 9.057 0.002 1 501 105 105 ASN C C 176.7 . 1 502 105 105 ASN CA C 56.19 0.07 1 503 105 105 ASN CB C 39.71 0.24 1 504 105 105 ASN N N 117.98 0.02 1 505 106 106 ARG H H 7.138 0.004 1 506 106 106 ARG C C 177.6 . 1 507 106 106 ARG CA C 58.74 0.11 1 508 106 106 ARG CB C 30.99 0.19 1 509 106 106 ARG N N 113.25 0.01 1 510 107 107 ALA H H 7.339 0.003 1 511 107 107 ALA C C 178.6 . 1 512 107 107 ALA CA C 53.96 0.17 1 513 107 107 ALA CB C 20.34 0.27 1 514 107 107 ALA N N 120.62 0.03 1 515 108 108 SER H H 8.472 0.004 1 516 108 108 SER C C 174.1 . 1 517 108 108 SER CA C 57.96 0.03 1 518 108 108 SER CB C 65.47 0.15 1 519 108 108 SER N N 112.26 0.02 1 520 109 109 LEU H H 9.129 0.005 1 521 109 109 LEU C C 179.4 . 1 522 109 109 LEU CA C 57.33 0.17 1 523 109 109 LEU CB C 42.30 0.22 1 524 109 109 LEU N N 130.91 0.05 1 525 110 110 ALA H H 7.986 0.004 1 526 110 110 ALA C C 177.5 . 1 527 110 110 ALA CA C 54.30 0.07 1 528 110 110 ALA CB C 19.73 0.19 1 529 110 110 ALA N N 116.62 0.04 1 530 111 111 CYS H H 7.557 0.004 1 531 111 111 CYS C C 177.4 . 1 532 111 111 CYS CA C 62.42 0.11 1 533 111 111 CYS CB C 29.35 0.29 1 534 111 111 CYS N N 110.92 0.01 1 535 112 112 GLY H H 8.194 0.002 1 536 112 112 GLY CA C 50.06 0.22 1 537 112 112 GLY N N 108.08 0.02 1 538 113 113 PRO C C 177.8 . 1 539 113 113 PRO CA C 65.96 0.08 1 540 113 113 PRO CB C 33.66 0.26 1 541 114 114 MET H H 6.888 0.003 1 542 114 114 MET C C 177.3 . 1 543 114 114 MET CA C 60.44 0.10 1 544 114 114 MET CB C 32.55 0.20 1 545 114 114 MET N N 111.95 0.03 1 546 115 115 VAL H H 7.957 0.002 1 547 115 115 VAL C C 177.0 . 1 548 115 115 VAL CA C 66.91 0.06 1 549 115 115 VAL CB C 32.62 0.12 1 550 115 115 VAL N N 119.28 0.15 1 551 116 116 LYS H H 7.874 0.002 1 552 116 116 LYS C C 179.3 . 1 553 116 116 LYS CA C 60.68 0.03 1 554 116 116 LYS CB C 33.49 0.19 1 555 116 116 LYS N N 118.78 0.02 1 556 117 117 TRP H H 8.507 0.003 1 557 117 117 TRP C C 175.6 . 1 558 117 117 TRP CA C 62.95 0.15 1 559 117 117 TRP CB C 29.11 0.26 1 560 117 117 TRP N N 119.41 0.03 1 561 118 118 ALA H H 8.953 0.001 1 562 118 118 ALA C C 179.4 . 1 563 118 118 ALA CA C 56.64 0.09 1 564 118 118 ALA CB C 19.25 0.35 1 565 118 118 ALA N N 123.98 0.02 1 566 119 119 ILE H H 8.381 0.003 1 567 119 119 ILE C C 177.9 . 1 568 119 119 ILE CA C 66.36 0.12 1 569 119 119 ILE CB C 39.71 0.12 1 570 119 119 ILE N N 115.99 0.03 1 571 120 120 ALA H H 7.979 0.002 1 572 120 120 ALA C C 181.6 . 1 573 120 120 ALA CA C 55.67 0.05 1 574 120 120 ALA CB C 18.31 0.30 1 575 120 120 ALA N N 120.50 0.02 1 576 121 121 GLN H H 8.695 0.003 1 577 121 121 GLN C C 178.3 . 1 578 121 121 GLN CA C 58.54 0.04 1 579 121 121 GLN CB C 28.61 . 1 580 121 121 GLN N N 117.72 0.02 1 581 122 122 LEU H H 8.366 0.002 1 582 122 122 LEU C C 179.0 . 1 583 122 122 LEU CA C 57.95 0.03 1 584 122 122 LEU CB C 41.44 0.10 1 585 122 122 LEU N N 121.68 0.03 1 586 123 123 ASN H H 8.647 0.003 1 587 123 123 ASN C C 178.6 . 1 588 123 123 ASN CA C 56.48 0.11 1 589 123 123 ASN CB C 38.16 0.12 1 590 123 123 ASN N N 117.12 0.02 1 591 124 124 TYR H H 8.338 0.003 1 592 124 124 TYR C C 176.9 . 1 593 124 124 TYR CA C 60.83 0.22 1 594 124 124 TYR CB C 39.05 0.05 1 595 124 124 TYR N N 123.11 0.08 1 596 125 125 ALA H H 9.066 0.002 1 597 125 125 ALA C C 180.2 . 1 598 125 125 ALA CA C 56.00 0.13 1 599 125 125 ALA CB C 18.84 0.19 1 600 125 125 ALA N N 121.95 0.05 1 601 126 126 ASP H H 8.558 0.005 1 602 126 126 ASP C C 178.9 . 1 603 126 126 ASP CA C 57.75 0.24 1 604 126 126 ASP CB C 41.26 0.07 1 605 126 126 ASP N N 117.46 0.05 1 606 127 127 MET H H 7.827 0.003 1 607 127 127 MET C C 178.6 . 1 608 127 127 MET CA C 58.98 0.07 1 609 127 127 MET CB C 32.57 0.45 1 610 127 127 MET N N 120.63 0.08 1 611 128 128 LEU H H 8.372 0.005 1 612 128 128 LEU C C 179.2 . 1 613 128 128 LEU CA C 57.95 0.07 1 614 128 128 LEU CB C 42.74 0.06 1 615 128 128 LEU N N 119.89 0.05 1 616 129 129 LYS H H 7.687 0.001 1 617 129 129 LYS C C 177.4 . 1 618 129 129 LYS CA C 56.90 0.11 1 619 129 129 LYS CB C 32.71 0.08 1 620 129 129 LYS N N 116.63 0.04 1 621 130 130 ARG H H 7.820 0.004 1 622 130 130 ARG C C 176.9 . 1 623 130 130 ARG CA C 57.98 0.12 1 624 130 130 ARG CB C 31.55 0.20 1 625 130 130 ARG N N 119.56 0.04 1 626 131 131 VAL H H 8.094 0.004 1 627 131 131 VAL HA H 4.374 . 1 628 131 131 VAL C C 175.0 . 1 629 131 131 VAL CA C 62.73 0.18 1 630 131 131 VAL CB C 33.61 0.05 1 631 131 131 VAL N N 117.93 0.06 1 632 132 132 GLU H H 8.121 0.009 1 633 132 132 GLU HA H 4.721 . 1 634 132 132 GLU CA C 55.01 0.09 1 635 132 132 GLU CB C 31.13 . 1 636 132 132 GLU N N 122.99 0.05 1 637 133 133 PRO C C 177.2 . 1 638 133 133 PRO CA C 64.27 0.13 1 639 133 133 PRO CB C 32.78 0.18 1 640 134 134 LEU H H 8.421 0.005 1 641 134 134 LEU HA H 4.464 . 1 642 134 134 LEU C C 177.8 . 1 643 134 134 LEU CA C 56.08 0.06 1 644 134 134 LEU CB C 42.64 0.11 1 645 134 134 LEU N N 120.64 0.04 1 646 135 135 ARG H H 8.398 0.007 1 647 135 135 ARG HA H 4.501 . 1 648 135 135 ARG C C 176.2 . 1 649 135 135 ARG CA C 57.01 0.12 1 650 135 135 ARG CB C 31.46 0.19 1 651 135 135 ARG N N 121.34 0.06 1 652 136 136 ASN H H 8.609 0.005 1 653 136 136 ASN C C 175.4 . 1 654 136 136 ASN CA C 54.06 0.13 1 655 136 136 ASN CB C 39.63 0.14 1 656 136 136 ASN N N 119.50 0.03 1 657 137 137 GLU H H 8.574 0.007 1 658 137 137 GLU C C 176.3 . 1 659 137 137 GLU CA C 57.54 0.09 1 660 137 137 GLU CB C 30.82 0.18 1 661 137 137 GLU N N 120.99 0.02 1 662 138 138 HIS H H 8.482 0.002 1 663 138 138 HIS CA C 55.51 . 1 664 138 138 HIS N N 119.41 0.06 1 stop_ save_ save_assigned_chem_shift_list2 _Saveframe_category assigned_chemical_shifts _Details 'The list provides data from deteriorated protein' loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D H(CCO)NH' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLU C C 175.7 . 1 2 2 2 GLU CA C 57.04 0.11 1 3 2 2 GLU CB C 31.28 0.01 1 4 3 3 ASP H H 8.733 0.004 1 5 3 3 ASP C C 176.6 . 1 6 3 3 ASP CA C 55.23 0.30 1 7 3 3 ASP CB C 41.79 0.09 1 8 3 3 ASP N N 121.82 0.07 1 9 4 4 LEU H H 8.501 0.003 1 10 4 4 LEU C C 177.5 . 1 11 4 4 LEU CA C 56.22 0.08 1 12 4 4 LEU CB C 42.95 0.10 1 13 4 4 LEU N N 122.73 0.05 1 14 5 5 ASP H H 8.500 0.001 1 15 5 5 ASP C C 176.1 . 1 16 5 5 ASP CA C 55.42 0.18 1 17 5 5 ASP CB C 41.80 0.18 1 18 5 5 ASP N N 119.90 0.13 1 19 6 6 LYS H H 8.136 0.002 1 20 6 6 LYS C C 176.3 . 1 21 6 6 LYS CA C 56.76 0.12 1 22 6 6 LYS CB C 33.78 0.23 1 23 6 6 LYS N N 120.83 0.02 1 24 7 7 VAL H H 8.257 0.010 1 25 7 7 VAL C C 176.0 . 1 26 7 7 VAL CA C 62.63 0.19 1 27 7 7 VAL CB C 33.72 0.24 1 28 7 7 VAL N N 121.92 0.07 1 29 8 8 GLU H H 8.708 0.007 1 30 8 8 GLU CA C 55.00 0.04 1 31 8 8 GLU CB C 30.58 . 1 32 8 8 GLU N N 126.81 0.03 1 33 9 9 PRO C C 177.0 . 1 34 9 9 PRO CA C 64.11 0.05 1 35 9 9 PRO CB C 32.61 0.19 1 36 10 10 ALA H H 8.603 0.003 1 37 10 10 ALA C C 178.1 . 1 38 10 10 ALA CA C 53.72 0.08 1 39 10 10 ALA CB C 19.71 0.31 1 40 10 10 ALA N N 123.36 0.07 1 41 11 11 VAL H H 8.163 0.007 1 42 11 11 VAL C C 176.6 . 1 43 11 11 VAL CA C 63.44 0.22 1 44 11 11 VAL CB C 33.17 . 1 45 11 11 VAL N N 118.93 0.03 1 46 12 12 ILE H H 8.271 0.008 1 47 12 12 ILE CA C 62.14 0.14 1 48 12 12 ILE CB C 39.31 . 1 49 12 12 ILE N N 124.68 0.14 1 stop_ save_