data_17067 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complex hMia40-hCox17 ; _BMRB_accession_number 17067 _BMRB_flat_file_name bmr17067.str _Entry_type original _Submission_date 2010-07-20 _Accession_date 2010-07-20 _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 Bertini Ivano . . 2 Ciofi-Baffoni Simone . . 3 Gallo Angelo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 461 "13C chemical shifts" 526 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-12-01 update BMRB 'update entry citation' 2010-11-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_research_article _Saveframe_category entry_citation _Citation_full . _Citation_title 'Molecular chaperone function of Mia40 triggers consecutive induced folding steps of the substrate in mitochondrial protein import.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21059946 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Cefaro Chiara . . 4 Cenacchi Lucia . . 5 Ciofi-Baffoni Simone . . 6 Felli 'Isabella Caterina' . . 7 Gallo Angelo . . 8 Gonnelli Leonardo . . 9 Luchinat Enrico . . 10 Sideris Dionisia . . 11 Tokatlidis Kostas . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 107 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 20190 _Page_last 20195 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Complex hMia40-hCox17' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Mia40 $Mia40 Cox17 $Cox17 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_Mia40 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Mia40 _Molecular_mass 6727.517 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Mitochondrial Import and Assembly protein' 'Oxidative Protein Folding' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; GSFTMSYCRQEGKDRIIFVT KEDHETPSSAELVADDPNDP YEEHGLILPNGNINWNSPCL GGMASGPCGEQFKSAFSCFH YSTEEIKGSDCVDQFRAMQE CMQKYPDLYPQEDEDEEEER EKKPAEQAEETAPIEATATK EEEGSS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PHE 4 THR 5 MET 6 SER 7 TYR 8 CYS 9 ARG 10 GLN 11 GLU 12 GLY 13 LYS 14 ASP 15 ARG 16 ILE 17 ILE 18 PHE 19 VAL 20 THR 21 LYS 22 GLU 23 ASP 24 HIS 25 GLU 26 THR 27 PRO 28 SER 29 SER 30 ALA 31 GLU 32 LEU 33 VAL 34 ALA 35 ASP 36 ASP 37 PRO 38 ASN 39 ASP 40 PRO 41 TYR 42 GLU 43 GLU 44 HIS 45 GLY 46 LEU 47 ILE 48 LEU 49 PRO 50 ASN 51 GLY 52 ASN 53 ILE 54 ASN 55 TRP 56 ASN 57 SER 58 PRO 59 CYS 60 LEU 61 GLY 62 GLY 63 MET 64 ALA 65 SER 66 GLY 67 PRO 68 CYS 69 GLY 70 GLU 71 GLN 72 PHE 73 LYS 74 SER 75 ALA 76 PHE 77 SER 78 CYS 79 PHE 80 HIS 81 TYR 82 SER 83 THR 84 GLU 85 GLU 86 ILE 87 LYS 88 GLY 89 SER 90 ASP 91 CYS 92 VAL 93 ASP 94 GLN 95 PHE 96 ARG 97 ALA 98 MET 99 GLN 100 GLU 101 CYS 102 MET 103 GLN 104 LYS 105 TYR 106 PRO 107 ASP 108 LEU 109 TYR 110 PRO 111 GLN 112 GLU 113 ASP 114 GLU 115 ASP 116 GLU 117 GLU 118 GLU 119 GLU 120 ARG 121 GLU 122 LYS 123 LYS 124 PRO 125 ALA 126 GLU 127 GLN 128 ALA 129 GLU 130 GLU 131 THR 132 ALA 133 PRO 134 ILE 135 GLU 136 ALA 137 THR 138 ALA 139 THR 140 LYS 141 GLU 142 GLU 143 GLU 144 GLY 145 SER 146 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 BMRB 15763 Human_Mia40 100.00 146 99.32 99.32 2.09e-101 PDB 2K3J "The Solution Structure Of Human Mia40" 100.00 146 99.32 99.32 2.09e-101 PDB 2L0Y "Complex Hmia40-Hcox17" 100.00 146 100.00 100.00 1.66e-102 DBJ BAB71132 "unnamed protein product [Homo sapiens]" 93.84 155 98.54 99.27 3.74e-93 DBJ BAF83453 "unnamed protein product [Homo sapiens]" 97.26 142 99.30 99.30 2.71e-98 GB AAH17082 "CHCHD4 protein [Homo sapiens]" 97.26 142 99.30 99.30 2.71e-98 GB AAH33775 "CHCHD4 protein [Homo sapiens]" 97.26 142 99.30 99.30 2.71e-98 GB AIC53061 "CHCHD4, partial [synthetic construct]" 97.26 142 99.30 99.30 2.71e-98 GB EAW64180 "coiled-coil-helix-coiled-coil-helix domain containing 4, isoform CRA_a [Homo sapiens]" 97.26 142 99.30 99.30 2.71e-98 GB EAW64181 "coiled-coil-helix-coiled-coil-helix domain containing 4, isoform CRA_b [Homo sapiens]" 93.84 155 98.54 99.27 3.74e-93 REF NP_001091972 "mitochondrial intermembrane space import and assembly protein 40 isoform 1 [Homo sapiens]" 97.26 142 99.30 99.30 2.71e-98 REF NP_001185638 "coiled-coil-helix-coiled-coil-helix domain containing 4 [Macaca mulatta]" 97.26 142 97.18 97.89 1.61e-96 REF NP_653237 "mitochondrial intermembrane space import and assembly protein 40 isoform 2 [Homo sapiens]" 93.84 155 98.54 99.27 3.74e-93 REF XP_001157417 "PREDICTED: mitochondrial intermembrane space import and assembly protein 40 isoform X2 [Pan troglodytes]" 97.26 142 98.59 98.59 1.64e-97 REF XP_002813171 "PREDICTED: mitochondrial intermembrane space import and assembly protein 40 isoform X2 [Pongo abelii]" 97.26 142 98.59 98.59 1.64e-97 SP Q8N4Q1 "RecName: Full=Mitochondrial intermembrane space import and assembly protein 40; AltName: Full=Coiled-coil-helix-coiled-coil-hel" 97.26 142 99.30 99.30 2.71e-98 stop_ save_ save_Cox17 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cox17 _Molecular_mass 2412.846 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Copper Chaperone of CcO' stop_ _Details . _Residue_count 67 _Mol_residue_sequence ; GSFTMPGLVDSNPAPPESQE KKPLKPCCASPETKKARDAS IIEKGEEHCGHLIEAHKESM RALGFKI ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PHE 4 THR 5 MET 6 PRO 7 GLY 8 LEU 9 VAL 10 ASP 11 SER 12 ASN 13 PRO 14 ALA 15 PRO 16 PRO 17 GLU 18 SER 19 GLN 20 GLU 21 LYS 22 LYS 23 PRO 24 LEU 25 LYS 26 PRO 27 CYS 28 CYS 29 ALA 30 SER 31 PRO 32 GLU 33 THR 34 LYS 35 LYS 36 ALA 37 ARG 38 ASP 39 ALA 40 SER 41 ILE 42 ILE 43 GLU 44 LYS 45 GLY 46 GLU 47 GLU 48 HIS 49 CYS 50 GLY 51 HIS 52 LEU 53 ILE 54 GLU 55 ALA 56 HIS 57 LYS 58 GLU 59 SER 60 MET 61 ARG 62 ALA 63 LEU 64 GLY 65 PHE 66 LYS 67 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2013-12-02 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 BMRB 17821 "Human C30S/C59S-Cox17 mutant" 100.00 67 98.51 98.51 4.68e-39 PDB 2LGQ "Human C30sC59S-Cox17 Mutant" 100.00 67 98.51 98.51 4.68e-39 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Mia40 Human 9606 Eukaryota Metazoa Homo sapiens $Cox17 Human 9606 Eukaryota Metazoa Homo sapiens 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 $Mia40 'recombinant technology' . Escherichia coli . pDEST-His-MBP $Cox17 'recombinant technology' . Escherichia coli . pETG-30A 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 $Mia40 0.5 mM '[U-100% 13C; U-100% 15N]' $Cox17 0.5 mM 'natural abundance' Phosphate 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Mia40 0.5 mM '[U-100% 13C; U-100% 15N]' $Cox17 0.5 mM 'natural abundance' Phosphate 50 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 2 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 10.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_ω1-_13C-edited,_ω2-13C-filtered_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D ω1- 13C-edited, ω2-13C-filtered NOESY' _Sample_label $sample_1 save_ save_3D_ω1-_13C-edited,_ω2-13C-filtered_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D ω1- 13C-edited, ω2-13C-filtered NOESY' _Sample_label $sample_2 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' 50 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . 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 Dioxane C 13 'methylene carbons' ppm 0 external direct . . . 1.0 TMS H 1 'methyl protons' ppm 0 external direct . . . 1.0 TMS N 15 'methyl protons' ppm 0 external 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_Mia40_cs_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Mia40 _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 26 26 THR H H 8.27 0.02 1 2 26 26 THR C C 170.0 0.3 1 3 26 26 THR CA C 57.1 0.3 1 4 26 26 THR CB C 66.9 0.3 1 5 26 26 THR N N 118.4 0.3 1 6 28 28 SER H H 8.43 0.02 1 7 28 28 SER HA H 4.31 0.02 1 8 28 28 SER C C 172.1 0.3 1 9 28 28 SER CA C 55.5 0.3 1 10 28 28 SER CB C 61.1 0.3 1 11 28 28 SER N N 116.5 0.3 1 12 29 29 SER H H 8.27 0.02 1 13 29 29 SER HA H 4.29 0.02 1 14 29 29 SER C C 171.6 0.3 1 15 29 29 SER CA C 55.7 0.3 1 16 29 29 SER CB C 60.9 0.3 1 17 29 29 SER N N 117.6 0.3 1 18 30 30 ALA H H 8.20 0.02 1 19 30 30 ALA HA H 4.18 0.02 1 20 30 30 ALA C C 174.9 0.3 1 21 30 30 ALA CA C 50.0 0.3 1 22 30 30 ALA CB C 16.3 0.3 1 23 30 30 ALA N N 125.5 0.3 1 24 31 31 GLU H H 8.14 0.02 1 25 31 31 GLU HA H 4.12 0.02 1 26 31 31 GLU HB2 H 1.83 0.02 2 27 31 31 GLU HB3 H 1.92 0.02 2 28 31 31 GLU HG2 H 2.14 0.02 2 29 31 31 GLU HG3 H 2.12 0.02 2 30 31 31 GLU C C 173.5 0.3 1 31 31 31 GLU CA C 53.8 0.3 1 32 31 31 GLU CB C 27.3 0.3 1 33 31 31 GLU CG C 33.4 0.3 1 34 31 31 GLU N N 119.3 0.3 1 35 32 32 LEU H H 8.05 0.02 1 36 32 32 LEU HA H 4.23 0.02 1 37 32 32 LEU HB2 H 1.41 0.02 2 38 32 32 LEU HB3 H 1.49 0.02 2 39 32 32 LEU HG H 1.47 0.02 1 40 32 32 LEU C C 174.3 0.3 1 41 32 32 LEU CA C 52.3 0.3 1 42 32 32 LEU CB C 39.5 0.3 1 43 32 32 LEU CD1 C 22.0 0.3 1 44 32 32 LEU CD2 C 20.8 0.3 1 45 32 32 LEU CG C 24.2 0.3 1 46 32 32 LEU N N 123.1 0.3 1 47 33 33 VAL H H 8.05 0.02 1 48 33 33 VAL HA H 3.96 0.02 1 49 33 33 VAL HB H 1.92 0.02 1 50 33 33 VAL C C 172.9 0.3 1 51 33 33 VAL CA C 59.1 0.3 1 52 33 33 VAL CB C 29.9 0.3 1 53 33 33 VAL CG1 C 17.8 0.3 1 54 33 33 VAL CG2 C 18.5 0.3 1 55 33 33 VAL N N 122.0 0.3 1 56 34 34 ALA H H 8.29 0.02 1 57 34 34 ALA HA H 4.18 0.02 1 58 34 34 ALA C C 174.3 0.3 1 59 34 34 ALA CA C 49.4 0.3 1 60 34 34 ALA CB C 16.6 0.3 1 61 34 34 ALA N N 128.4 0.3 1 62 35 35 ASP H H 8.18 0.02 1 63 35 35 ASP HA H 4.34 0.02 1 64 35 35 ASP C C 172.8 0.3 1 65 35 35 ASP CA C 51.4 0.3 1 66 35 35 ASP CB C 38.4 0.3 1 67 35 35 ASP N N 120.2 0.3 1 68 36 36 ASP H H 8.23 0.02 1 69 36 36 ASP HA H 4.74 0.02 1 70 36 36 ASP HB2 H 2.70 0.02 2 71 36 36 ASP HB3 H 2.43 0.02 2 72 36 36 ASP C C 172.4 0.3 1 73 36 36 ASP CA C 49.1 0.3 1 74 36 36 ASP CB C 38.6 0.3 1 75 36 36 ASP N N 121.9 0.3 1 76 37 37 PRO HA H 4.26 0.02 1 77 37 37 PRO HB2 H 2.10 0.02 2 78 37 37 PRO HB3 H 1.82 0.02 2 79 37 37 PRO HD2 H 3.70 0.02 2 80 37 37 PRO HD3 H 3.60 0.02 2 81 37 37 PRO HG2 H 1.90 0.02 2 82 37 37 PRO HG3 H 1.83 0.02 2 83 37 37 PRO CA C 60.7 0.3 1 84 37 37 PRO CB C 29.2 0.3 1 85 37 37 PRO CD C 47.9 0.3 1 86 37 37 PRO CG C 24.0 0.3 1 87 38 38 ASN H H 8.39 0.02 1 88 38 38 ASN HA H 4.51 0.02 1 89 38 38 ASN HB2 H 2.65 0.02 2 90 38 38 ASN HB3 H 2.61 0.02 2 91 38 38 ASN HD21 H 6.84 0.02 1 92 38 38 ASN HD22 H 7.72 0.02 1 93 38 38 ASN C C 171.8 0.3 1 94 38 38 ASN CA C 50.5 0.3 1 95 38 38 ASN CB C 36.2 0.3 1 96 38 38 ASN N N 117.9 0.3 1 97 39 39 ASP H H 8.04 0.02 1 98 39 39 ASP HA H 4.72 0.02 1 99 39 39 ASP HB2 H 2.41 0.02 2 100 39 39 ASP HB3 H 2.66 0.02 2 101 39 39 ASP C C 171.7 0.3 1 102 39 39 ASP CA C 49.5 0.3 1 103 39 39 ASP CB C 38.3 0.3 1 104 39 39 ASP N N 121.6 0.3 1 105 41 41 TYR H H 8.21 0.02 1 106 41 41 TYR C C 173.1 0.3 1 107 41 41 TYR CA C 55.3 0.3 1 108 41 41 TYR CB C 35.5 0.3 1 109 41 41 TYR N N 119.8 0.3 1 110 42 42 GLU H H 7.86 0.02 1 111 42 42 GLU C C 173.2 0.3 1 112 42 42 GLU CA C 53.6 0.3 1 113 42 42 GLU CB C 27.6 0.3 1 114 42 42 GLU N N 122.3 0.3 1 115 44 44 HIS HA H 4.51 0.02 1 116 44 44 HIS HB2 H 3.05 0.02 2 117 44 44 HIS HB3 H 2.95 0.02 2 118 44 44 HIS CA C 53.1 0.3 1 119 44 44 HIS CB C 27.6 0.3 1 120 45 45 GLY H H 8.23 0.02 1 121 45 45 GLY HA2 H 3.78 0.02 2 122 45 45 GLY HA3 H 3.93 0.02 2 123 45 45 GLY C C 171.0 0.3 1 124 45 45 GLY CA C 42.7 0.3 1 125 45 45 GLY N N 108.8 0.3 1 126 46 46 LEU HA H 3.99 0.02 1 127 46 46 LEU HB2 H 1.43 0.02 2 128 46 46 LEU HB3 H 1.49 0.02 2 129 46 46 LEU HG H 0.74 0.02 1 130 46 46 LEU CA C 54.8 0.3 1 131 46 46 LEU CB C 40.2 0.3 1 132 46 46 LEU CD1 C 21.3 0.3 1 133 46 46 LEU CD2 C 21.1 0.3 1 134 46 46 LEU CG C 22.7 0.3 1 135 47 47 ILE H H 7.62 0.02 1 136 47 47 ILE HA H 4.21 0.02 1 137 47 47 ILE HB H 1.71 0.02 1 138 47 47 ILE HG12 H 1.26 0.02 2 139 47 47 ILE HG13 H 1.09 0.02 2 140 47 47 ILE C C 174.4 0.3 1 141 47 47 ILE CA C 54.8 0.3 1 142 47 47 ILE CB C 33.9 0.3 1 143 47 47 ILE CD1 C 6.8 0.3 1 144 47 47 ILE CG1 C 23.5 0.3 1 145 47 47 ILE CG2 C 14.0 0.3 1 146 47 47 ILE N N 115.3 0.3 1 147 48 48 LEU H H 8.73 0.02 1 148 48 48 LEU HA H 4.21 0.02 1 149 48 48 LEU HB2 H 1.49 0.02 2 150 48 48 LEU HB3 H 1.41 0.02 2 151 48 48 LEU HG H 0.66 0.02 1 152 48 48 LEU C C 174.4 0.3 1 153 48 48 LEU CA C 51.4 0.3 1 154 48 48 LEU CB C 37.4 0.3 1 155 48 48 LEU CD1 C 17.7 0.3 1 156 48 48 LEU CD2 C 19.6 0.3 1 157 48 48 LEU CG C 22.7 0.3 1 158 48 48 LEU N N 127.5 0.3 1 159 49 49 PRO HA H 4.15 0.02 1 160 49 49 PRO HB2 H 2.24 0.02 2 161 49 49 PRO HB3 H 1.72 0.02 2 162 49 49 PRO HG2 H 2.01 0.02 2 163 49 49 PRO HG3 H 1.91 0.02 2 164 49 49 PRO CA C 62.7 0.3 1 165 49 49 PRO CB C 29.2 0.3 1 166 49 49 PRO CD C 47.5 0.3 1 167 49 49 PRO CG C 24.7 0.3 1 168 50 50 ASN H H 7.21 0.02 1 169 50 50 ASN HA H 4.40 0.02 1 170 50 50 ASN HB2 H 3.07 0.02 2 171 50 50 ASN HB3 H 2.65 0.02 2 172 50 50 ASN HD21 H 6.44 0.02 1 173 50 50 ASN HD22 H 7.28 0.02 1 174 50 50 ASN C C 173.7 0.3 1 175 50 50 ASN CA C 49.5 0.3 1 176 50 50 ASN CB C 34.3 0.3 1 177 50 50 ASN N N 111.0 0.3 1 178 51 51 GLY H H 8.38 0.02 1 179 51 51 GLY HA2 H 4.21 0.02 2 180 51 51 GLY HA3 H 3.39 0.02 2 181 51 51 GLY C C 171.5 0.3 1 182 51 51 GLY CA C 42.2 0.3 1 183 51 51 GLY N N 108.3 0.3 1 184 52 52 ASN H H 7.83 0.02 1 185 52 52 ASN HA H 4.64 0.02 1 186 52 52 ASN HB2 H 2.77 0.02 2 187 52 52 ASN HB3 H 2.80 0.02 2 188 52 52 ASN HD21 H 6.92 0.02 1 189 52 52 ASN HD22 H 7.07 0.02 1 190 52 52 ASN C C 170.8 0.3 1 191 52 52 ASN CA C 49.4 0.3 1 192 52 52 ASN CB C 35.9 0.3 1 193 52 52 ASN N N 119.2 0.3 1 194 53 53 ILE H H 8.07 0.02 1 195 53 53 ILE HA H 3.53 0.02 1 196 53 53 ILE HB H 0.52 0.02 1 197 53 53 ILE HG12 H 0.14 0.02 2 198 53 53 ILE HG13 H 1.24 0.02 2 199 53 53 ILE C C 172.3 0.3 1 200 53 53 ILE CA C 59.0 0.3 1 201 53 53 ILE CB C 35.9 0.3 1 202 53 53 ILE CD1 C 11.0 0.3 1 203 53 53 ILE CG1 C 25.4 0.3 1 204 53 53 ILE CG2 C 12.6 0.3 1 205 53 53 ILE N N 120.1 0.3 1 206 54 54 ASN H H 8.71 0.02 1 207 54 54 ASN HA H 4.37 0.02 1 208 54 54 ASN HB2 H 3.28 0.02 2 209 54 54 ASN HB3 H 2.10 0.02 2 210 54 54 ASN HD21 H 7.70 0.02 1 211 54 54 ASN HD22 H 7.01 0.02 1 212 54 54 ASN C C 172.3 0.3 1 213 54 54 ASN CA C 47.4 0.3 1 214 54 54 ASN CB C 34.4 0.3 1 215 54 54 ASN N N 123.2 0.3 1 216 55 55 TRP H H 7.56 0.02 1 217 55 55 TRP HA H 4.31 0.02 1 218 55 55 TRP HB2 H 3.25 0.02 2 219 55 55 TRP HB3 H 2.85 0.02 2 220 55 55 TRP HD1 H 7.30 0.02 1 221 55 55 TRP HE1 H 10.10 0.02 1 222 55 55 TRP HE3 H 7.31 0.02 1 223 55 55 TRP HH2 H 7.35 0.02 1 224 55 55 TRP HZ2 H 7.46 0.02 1 225 55 55 TRP HZ3 H 6.71 0.02 1 226 55 55 TRP C C 172.3 0.3 1 227 55 55 TRP CA C 55.0 0.3 1 228 55 55 TRP CB C 26.2 0.3 1 229 55 55 TRP N N 124.5 0.3 1 230 56 56 ASN H H 7.44 0.02 1 231 56 56 ASN HA H 4.72 0.02 1 232 56 56 ASN HB2 H 2.85 0.02 2 233 56 56 ASN HB3 H 2.57 0.02 2 234 56 56 ASN HD21 H 6.88 0.02 1 235 56 56 ASN HD22 H 7.63 0.02 1 236 56 56 ASN C C 172.5 0.3 1 237 56 56 ASN CA C 49.4 0.3 1 238 56 56 ASN CB C 36.2 0.3 1 239 56 56 ASN N N 112.3 0.3 1 240 57 57 SER H H 7.31 0.02 1 241 57 57 SER HA H 4.33 0.02 1 242 57 57 SER HB2 H 3.17 0.02 2 243 57 57 SER HB3 H 2.27 0.02 2 244 57 57 SER C C 173.1 0.3 1 245 57 57 SER CA C 53.9 0.3 1 246 57 57 SER CB C 58.9 0.3 1 247 57 57 SER N N 115.4 0.3 1 248 59 59 CYS H H 8.67 0.02 1 249 59 59 CYS C C 175.4 0.3 1 250 59 59 CYS CA C 55.2 0.3 1 251 59 59 CYS CB C 36.8 0.3 1 252 59 59 CYS N N 119.5 0.3 1 253 60 60 LEU H H 7.84 0.02 1 254 60 60 LEU HA H 3.39 0.02 1 255 60 60 LEU HB2 H 1.71 0.02 2 256 60 60 LEU HB3 H 1.41 0.02 2 257 60 60 LEU HG H 1.08 0.02 1 258 60 60 LEU C C 175.3 0.3 1 259 60 60 LEU CA C 52.2 0.3 1 260 60 60 LEU CB C 39.7 0.3 1 261 60 60 LEU CD1 C 13.9 0.3 1 262 60 60 LEU CD2 C 6.8 0.3 1 263 60 60 LEU CG C 22.7 0.3 1 264 60 60 LEU N N 119.7 0.3 1 265 61 61 GLY H H 7.70 0.02 1 266 61 61 GLY HA2 H 3.80 0.02 2 267 61 61 GLY HA3 H 3.66 0.02 2 268 61 61 GLY C C 172.7 0.3 1 269 61 61 GLY CA C 44.6 0.3 1 270 61 61 GLY N N 106.5 0.3 1 271 62 62 GLY H H 8.59 0.02 1 272 62 62 GLY HA2 H 3.79 0.02 2 273 62 62 GLY HA3 H 3.67 0.02 2 274 62 62 GLY C C 174.0 0.3 1 275 62 62 GLY CA C 42.7 0.3 1 276 62 62 GLY N N 108.9 0.3 1 277 63 63 MET H H 7.58 0.02 1 278 63 63 MET HA H 3.86 0.02 1 279 63 63 MET HB2 H 2.05 0.02 2 280 63 63 MET HB3 H 2.05 0.02 2 281 63 63 MET HG2 H 2.32 0.02 2 282 63 63 MET HG3 H 2.32 0.02 2 283 63 63 MET C C 174.0 0.3 1 284 63 63 MET CA C 54.6 0.3 1 285 63 63 MET CB C 30.2 0.3 1 286 63 63 MET CG C 30.8 0.3 1 287 63 63 MET N N 118.3 0.3 1 288 64 64 ALA H H 7.93 0.02 1 289 64 64 ALA HA H 4.18 0.02 1 290 64 64 ALA C C 173.6 0.3 1 291 64 64 ALA CA C 49.8 0.3 1 292 64 64 ALA CB C 16.4 0.3 1 293 64 64 ALA N N 116.9 0.3 1 294 65 65 SER H H 7.46 0.02 1 295 65 65 SER HA H 4.56 0.02 1 296 65 65 SER HB2 H 3.71 0.02 2 297 65 65 SER HB3 H 3.74 0.02 2 298 65 65 SER C C 171.4 0.3 1 299 65 65 SER CA C 54.6 0.3 1 300 65 65 SER CB C 61.8 0.3 1 301 65 65 SER N N 111.9 0.3 1 302 66 66 GLY H H 7.68 0.02 1 303 66 66 GLY HA2 H 3.96 0.02 2 304 66 66 GLY HA3 H 3.79 0.02 2 305 66 66 GLY C C 170.8 0.3 1 306 66 66 GLY CA C 42.0 0.3 1 307 66 66 GLY N N 108.6 0.3 1 308 67 67 PRO HA H 4.18 0.02 1 309 67 67 PRO HB2 H 1.77 0.02 2 310 67 67 PRO HB3 H 1.28 0.02 2 311 67 67 PRO HD2 H 3.38 0.02 2 312 67 67 PRO HD3 H 3.24 0.02 2 313 67 67 PRO CA C 62.2 0.3 1 314 67 67 PRO CB C 28.6 0.3 1 315 67 67 PRO CD C 46.6 0.3 1 316 67 67 PRO CG C 23.5 0.3 1 317 68 68 CYS H H 7.71 0.02 1 318 68 68 CYS HA H 5.42 0.02 1 319 68 68 CYS HB2 H 3.17 0.02 2 320 68 68 CYS HB3 H 2.16 0.02 2 321 68 68 CYS C C 173.5 0.3 1 322 68 68 CYS CA C 49.5 0.3 1 323 68 68 CYS CB C 36.1 0.3 1 324 68 68 CYS N N 114.5 0.3 1 325 69 69 GLY H H 7.85 0.02 1 326 69 69 GLY HA2 H 3.92 0.02 2 327 69 69 GLY HA3 H 3.50 0.02 2 328 69 69 GLY C C 173.3 0.3 1 329 69 69 GLY CA C 45.3 0.3 1 330 69 69 GLY N N 110.2 0.3 1 331 70 70 GLU H H 8.65 0.02 1 332 70 70 GLU HA H 3.74 0.02 1 333 70 70 GLU HB2 H 1.81 0.02 2 334 70 70 GLU HB3 H 1.88 0.02 2 335 70 70 GLU HG2 H 2.20 0.02 2 336 70 70 GLU HG3 H 2.09 0.02 2 337 70 70 GLU C C 176.8 0.3 1 338 70 70 GLU CA C 56.5 0.3 1 339 70 70 GLU CB C 25.5 0.3 1 340 70 70 GLU CG C 31.1 0.3 1 341 70 70 GLU N N 119.8 0.3 1 342 71 71 GLN H H 8.86 0.02 1 343 71 71 GLN HA H 3.85 0.02 1 344 71 71 GLN HB2 H 2.20 0.02 2 345 71 71 GLN HB3 H 1.53 0.02 2 346 71 71 GLN HE21 H 7.39 0.02 1 347 71 71 GLN HE22 H 6.74 0.02 1 348 71 71 GLN HG2 H 2.39 0.02 2 349 71 71 GLN HG3 H 2.33 0.02 2 350 71 71 GLN C C 177.6 0.3 1 351 71 71 GLN CA C 57.6 0.3 1 352 71 71 GLN CB C 23.9 0.3 1 353 71 71 GLN CG C 31.3 0.3 1 354 71 71 GLN N N 120.7 0.3 1 355 72 72 PHE H H 8.92 0.02 1 356 72 72 PHE HA H 4.21 0.02 1 357 72 72 PHE HB2 H 2.82 0.02 2 358 72 72 PHE HB3 H 2.89 0.02 2 359 72 72 PHE HZ H 6.80 0.02 1 360 72 72 PHE C C 173.6 0.3 1 361 72 72 PHE CA C 59.3 0.3 1 362 72 72 PHE CB C 35.9 0.3 1 363 72 72 PHE N N 123.2 0.3 1 364 73 73 LYS H H 8.51 0.02 1 365 73 73 LYS HA H 3.42 0.02 1 366 73 73 LYS HB2 H 1.06 0.02 2 367 73 73 LYS HB3 H 1.39 0.02 2 368 73 73 LYS HD2 H 0.68 0.02 2 369 73 73 LYS HD3 H 0.85 0.02 2 370 73 73 LYS HG2 H 1.07 0.02 2 371 73 73 LYS HG3 H 0.79 0.02 2 372 73 73 LYS C C 177.5 0.3 1 373 73 73 LYS CA C 56.9 0.3 1 374 73 73 LYS CB C 29.4 0.3 1 375 73 73 LYS CD C 26.7 0.3 1 376 73 73 LYS CE C 38.5 0.3 1 377 73 73 LYS CG C 22.1 0.3 1 378 73 73 LYS N N 119.7 0.3 1 379 74 74 SER H H 7.86 0.02 1 380 74 74 SER HA H 4.13 0.02 1 381 74 74 SER HB2 H 3.76 0.02 2 382 74 74 SER HB3 H 3.81 0.02 2 383 74 74 SER C C 174.2 0.3 1 384 74 74 SER CA C 58.9 0.3 1 385 74 74 SER CB C 60.2 0.3 1 386 74 74 SER N N 113.7 0.3 1 387 75 75 ALA H H 7.89 0.02 1 388 75 75 ALA HA H 3.80 0.02 1 389 75 75 ALA C C 175.1 0.3 1 390 75 75 ALA CA C 52.9 0.3 1 391 75 75 ALA CB C 17.4 0.3 1 392 75 75 ALA N N 122.7 0.3 1 393 76 76 PHE H H 9.45 0.02 1 394 76 76 PHE HA H 3.71 0.02 1 395 76 76 PHE HB2 H 2.49 0.02 2 396 76 76 PHE HB3 H 2.01 0.02 2 397 76 76 PHE HD1 H 6.86 0.02 3 398 76 76 PHE HD2 H 6.86 0.02 3 399 76 76 PHE C C 174.5 0.3 1 400 76 76 PHE CA C 59.3 0.3 1 401 76 76 PHE CB C 36.1 0.3 1 402 76 76 PHE N N 119.9 0.3 1 403 77 77 SER H H 8.50 0.02 1 404 77 77 SER HA H 4.12 0.02 1 405 77 77 SER C C 172.2 0.3 1 406 77 77 SER CA C 60.0 0.3 1 407 77 77 SER CB C 60.3 0.3 1 408 77 77 SER N N 112.7 0.3 1 409 78 78 CYS H H 7.48 0.02 1 410 78 78 CYS HA H 4.02 0.02 1 411 78 78 CYS HB2 H 3.12 0.02 2 412 78 78 CYS HB3 H 2.95 0.02 2 413 78 78 CYS C C 174.0 0.3 1 414 78 78 CYS CA C 58.2 0.3 1 415 78 78 CYS CB C 36.4 0.3 1 416 78 78 CYS N N 119.0 0.3 1 417 79 79 PHE H H 8.27 0.02 1 418 79 79 PHE HA H 3.73 0.02 1 419 79 79 PHE HB2 H 3.16 0.02 2 420 79 79 PHE HB3 H 2.99 0.02 2 421 79 79 PHE C C 173.6 0.3 1 422 79 79 PHE CA C 60.2 0.3 1 423 79 79 PHE CB C 36.9 0.3 1 424 79 79 PHE N N 120.4 0.3 1 425 80 80 HIS H H 8.83 0.02 1 426 80 80 HIS HA H 3.50 0.02 1 427 80 80 HIS HB2 H 2.24 0.02 2 428 80 80 HIS HB3 H 2.21 0.02 2 429 80 80 HIS C C 175.6 0.3 1 430 80 80 HIS CA C 57.2 0.3 1 431 80 80 HIS CB C 28.0 0.3 1 432 80 80 HIS N N 118.2 0.3 1 433 81 81 TYR H H 7.78 0.02 1 434 81 81 TYR HA H 4.05 0.02 1 435 81 81 TYR HB2 H 3.10 0.02 2 436 81 81 TYR HB3 H 2.56 0.02 2 437 81 81 TYR C C 172.4 0.3 1 438 81 81 TYR CA C 56.1 0.3 1 439 81 81 TYR CB C 34.8 0.3 1 440 81 81 TYR N N 113.7 0.3 1 441 82 82 SER H H 7.06 0.02 1 442 82 82 SER HA H 4.44 0.02 1 443 82 82 SER HB2 H 3.62 0.02 2 444 82 82 SER HB3 H 3.69 0.02 2 445 82 82 SER C C 174.5 0.3 1 446 82 82 SER CA C 56.5 0.3 1 447 82 82 SER CB C 59.3 0.3 1 448 82 82 SER N N 115.5 0.3 1 449 83 83 THR H H 9.30 0.02 1 450 83 83 THR HA H 4.37 0.02 1 451 83 83 THR HB H 4.43 0.02 1 452 83 83 THR C C 172.1 0.3 1 453 83 83 THR CA C 57.8 0.3 1 454 83 83 THR CB C 65.8 0.3 1 455 83 83 THR CG2 C 18.4 0.3 1 456 83 83 THR N N 120.3 0.3 1 457 84 84 GLU H H 7.16 0.02 1 458 84 84 GLU HA H 3.86 0.02 1 459 84 84 GLU HB2 H 2.08 0.02 2 460 84 84 GLU HB3 H 2.15 0.02 2 461 84 84 GLU C C 173.5 0.3 1 462 84 84 GLU CA C 53.2 0.3 1 463 84 84 GLU CB C 28.3 0.3 1 464 84 84 GLU CG C 33.5 0.3 1 465 84 84 GLU N N 121.5 0.3 1 466 85 85 GLU H H 8.38 0.02 1 467 85 85 GLU HA H 3.71 0.02 1 468 85 85 GLU HB2 H 1.89 0.02 2 469 85 85 GLU HB3 H 1.80 0.02 2 470 85 85 GLU C C 175.7 0.3 1 471 85 85 GLU CA C 57.0 0.3 1 472 85 85 GLU CB C 26.6 0.3 1 473 85 85 GLU CG C 29.4 0.3 1 474 85 85 GLU N N 121.7 0.3 1 475 86 86 ILE H H 8.08 0.02 1 476 86 86 ILE HA H 4.03 0.02 1 477 86 86 ILE HB H 1.72 0.02 1 478 86 86 ILE HG12 H 1.37 0.02 2 479 86 86 ILE HG13 H 1.04 0.02 2 480 86 86 ILE C C 172.3 0.3 1 481 86 86 ILE CA C 57.2 0.3 1 482 86 86 ILE CB C 32.7 0.3 1 483 86 86 ILE CD1 C 9.3 0.3 1 484 86 86 ILE CG1 C 24.0 0.3 1 485 86 86 ILE CG2 C 14.6 0.3 1 486 86 86 ILE N N 117.8 0.3 1 487 87 87 LYS H H 8.25 0.02 1 488 87 87 LYS HA H 3.49 0.02 1 489 87 87 LYS C C 175.2 0.3 1 490 87 87 LYS CA C 57.3 0.3 1 491 87 87 LYS CB C 30.0 0.3 1 492 87 87 LYS CD C 26.4 0.3 1 493 87 87 LYS CE C 38.5 0.3 1 494 87 87 LYS CG C 21.9 0.3 1 495 87 87 LYS N N 130.5 0.3 1 496 88 88 GLY H H 8.83 0.02 1 497 88 88 GLY HA2 H 4.43 0.02 2 498 88 88 GLY HA3 H 3.47 0.02 2 499 88 88 GLY C C 171.9 0.3 1 500 88 88 GLY CA C 42.4 0.3 1 501 88 88 GLY N N 110.5 0.3 1 502 89 89 SER H H 8.57 0.02 1 503 89 89 SER HA H 3.97 0.02 1 504 89 89 SER HB2 H 3.84 0.02 2 505 89 89 SER HB3 H 3.95 0.02 2 506 89 89 SER C C 171.1 0.3 1 507 89 89 SER CA C 58.8 0.3 1 508 89 89 SER CB C 59.3 0.3 1 509 89 89 SER N N 116.1 0.3 1 510 90 90 ASP H H 10.44 0.02 1 511 90 90 ASP HA H 4.53 0.02 1 512 90 90 ASP HB2 H 2.44 0.02 2 513 90 90 ASP HB3 H 2.83 0.02 2 514 90 90 ASP C C 173.5 0.3 1 515 90 90 ASP CA C 50.5 0.3 1 516 90 90 ASP CB C 34.8 0.3 1 517 90 90 ASP N N 116.1 0.3 1 518 91 91 CYS H H 7.41 0.02 1 519 91 91 CYS HA H 5.17 0.02 1 520 91 91 CYS HB2 H 2.42 0.02 2 521 91 91 CYS HB3 H 2.84 0.02 2 522 91 91 CYS C C 172.4 0.3 1 523 91 91 CYS CA C 50.7 0.3 1 524 91 91 CYS CB C 38.2 0.3 1 525 91 91 CYS N N 117.1 0.3 1 526 92 92 VAL H H 7.26 0.02 1 527 92 92 VAL HA H 3.30 0.02 1 528 92 92 VAL HB H 1.97 0.02 1 529 92 92 VAL C C 175.8 0.3 1 530 92 92 VAL CA C 64.4 0.3 1 531 92 92 VAL CB C 28.9 0.3 1 532 92 92 VAL CG1 C 19.2 0.3 1 533 92 92 VAL CG2 C 18.2 0.3 1 534 92 92 VAL N N 119.6 0.3 1 535 93 93 ASP H H 8.89 0.02 1 536 93 93 ASP HA H 4.23 0.02 1 537 93 93 ASP C C 176.5 0.3 1 538 93 93 ASP CA C 55.1 0.3 1 539 93 93 ASP CB C 36.8 0.3 1 540 93 93 ASP N N 120.6 0.3 1 541 94 94 GLN H H 9.00 0.02 1 542 94 94 GLN HA H 3.89 0.02 1 543 94 94 GLN HB2 H 2.03 0.02 2 544 94 94 GLN HB3 H 1.97 0.02 2 545 94 94 GLN HE21 H 7.40 0.02 1 546 94 94 GLN HE22 H 7.01 0.02 1 547 94 94 GLN HG2 H 2.47 0.02 2 548 94 94 GLN HG3 H 2.40 0.02 2 549 94 94 GLN C C 177.9 0.3 1 550 94 94 GLN CA C 57.3 0.3 1 551 94 94 GLN CB C 24.2 0.3 1 552 94 94 GLN CG C 31.8 0.3 1 553 94 94 GLN N N 121.6 0.3 1 554 95 95 PHE H H 9.03 0.02 1 555 95 95 PHE HA H 4.14 0.02 1 556 95 95 PHE HB2 H 3.10 0.02 2 557 95 95 PHE HB3 H 3.12 0.02 2 558 95 95 PHE HD1 H 6.10 0.02 3 559 95 95 PHE HD2 H 6.10 0.02 3 560 95 95 PHE HE1 H 7.16 0.02 3 561 95 95 PHE HE2 H 7.16 0.02 3 562 95 95 PHE C C 175.2 0.3 1 563 95 95 PHE CA C 55.0 0.3 1 564 95 95 PHE CB C 34.7 0.3 1 565 95 95 PHE N N 123.0 0.3 1 566 96 96 ARG H H 8.48 0.02 1 567 96 96 ARG HA H 4.03 0.02 1 568 96 96 ARG HD2 H 3.14 0.02 2 569 96 96 ARG HD3 H 3.16 0.02 2 570 96 96 ARG HG2 H 1.51 0.02 2 571 96 96 ARG HG3 H 1.69 0.02 2 572 96 96 ARG C C 175.7 0.3 1 573 96 96 ARG CA C 57.2 0.3 1 574 96 96 ARG CB C 26.6 0.3 1 575 96 96 ARG CD C 40.5 0.3 1 576 96 96 ARG CG C 24.3 0.3 1 577 96 96 ARG N N 121.6 0.3 1 578 97 97 ALA H H 8.01 0.02 1 579 97 97 ALA HA H 4.13 0.02 1 580 97 97 ALA C C 178.6 0.3 1 581 97 97 ALA CA C 52.1 0.3 1 582 97 97 ALA CB C 14.8 0.3 1 583 97 97 ALA N N 120.5 0.3 1 584 98 98 MET H H 7.63 0.02 1 585 98 98 MET HA H 3.85 0.02 1 586 98 98 MET HB2 H 2.02 0.02 2 587 98 98 MET HB3 H 2.09 0.02 2 588 98 98 MET C C 173.9 0.3 1 589 98 98 MET CA C 56.7 0.3 1 590 98 98 MET CB C 29.8 0.3 1 591 98 98 MET CE C 39.3 0.3 1 592 98 98 MET CG C 30.8 0.3 1 593 98 98 MET N N 118.2 0.3 1 594 99 99 GLN H H 8.41 0.02 1 595 99 99 GLN HA H 3.77 0.02 1 596 99 99 GLN HG2 H 2.18 0.02 2 597 99 99 GLN HG3 H 2.09 0.02 2 598 99 99 GLN C C 175.0 0.3 1 599 99 99 GLN CA C 57.2 0.3 1 600 99 99 GLN CB C 25.6 0.3 1 601 99 99 GLN CG C 33.1 0.3 1 602 99 99 GLN N N 120.7 0.3 1 603 100 100 GLU H H 8.71 0.02 1 604 100 100 GLU HA H 3.78 0.02 1 605 100 100 GLU HB2 H 1.90 0.02 2 606 100 100 GLU HB3 H 1.98 0.02 2 607 100 100 GLU HG2 H 2.40 0.02 2 608 100 100 GLU HG3 H 2.08 0.02 2 609 100 100 GLU C C 176.0 0.3 1 610 100 100 GLU CA C 56.5 0.3 1 611 100 100 GLU CB C 26.7 0.3 1 612 100 100 GLU CG C 34.0 0.3 1 613 100 100 GLU N N 117.0 0.3 1 614 101 101 CYS H H 7.37 0.02 1 615 101 101 CYS HA H 4.21 0.02 1 616 101 101 CYS HB2 H 3.00 0.02 2 617 101 101 CYS HB3 H 3.10 0.02 2 618 101 101 CYS C C 173.6 0.3 1 619 101 101 CYS CA C 58.2 0.3 1 620 101 101 CYS CB C 36.2 0.3 1 621 101 101 CYS N N 117.1 0.3 1 622 102 102 MET H H 8.30 0.02 1 623 102 102 MET HA H 3.82 0.02 1 624 102 102 MET HB2 H 1.79 0.02 2 625 102 102 MET HB3 H 1.83 0.02 2 626 102 102 MET C C 177.3 0.3 1 627 102 102 MET CA C 57.3 0.3 1 628 102 102 MET CB C 29.7 0.3 1 629 102 102 MET CE C 47.9 0.3 1 630 102 102 MET CG C 29.1 0.3 1 631 102 102 MET N N 118.8 0.3 1 632 103 103 GLN H H 7.98 0.02 1 633 103 103 GLN HA H 3.88 0.02 1 634 103 103 GLN HB2 H 1.96 0.02 2 635 103 103 GLN HB3 H 2.05 0.02 2 636 103 103 GLN HE21 H 7.39 0.02 1 637 103 103 GLN HE22 H 6.74 0.02 1 638 103 103 GLN HG2 H 2.50 0.02 2 639 103 103 GLN HG3 H 2.40 0.02 2 640 103 103 GLN C C 174.1 0.3 1 641 103 103 GLN CA C 55.2 0.3 1 642 103 103 GLN CB C 25.6 0.3 1 643 103 103 GLN CG C 31.5 0.3 1 644 103 103 GLN N N 117.2 0.3 1 645 104 104 LYS H H 7.49 0.02 1 646 104 104 LYS HA H 3.87 0.02 1 647 104 104 LYS HB2 H 1.69 0.02 2 648 104 104 LYS HB3 H 1.32 0.02 2 649 104 104 LYS HG2 H 1.08 0.02 2 650 104 104 LYS HG3 H 1.48 0.02 2 651 104 104 LYS C C 173.2 0.3 1 652 104 104 LYS CA C 54.6 0.3 1 653 104 104 LYS CB C 29.4 0.3 1 654 104 104 LYS CD C 26.1 0.3 1 655 104 104 LYS CE C 39.3 0.3 1 656 104 104 LYS CG C 22.7 0.3 1 657 104 104 LYS N N 116.9 0.3 1 658 105 105 TYR H H 7.35 0.02 1 659 105 105 TYR HA H 5.03 0.02 1 660 105 105 TYR HB2 H 2.98 0.02 2 661 105 105 TYR HB3 H 3.02 0.02 2 662 105 105 TYR C C 170.8 0.3 1 663 105 105 TYR CA C 52.3 0.3 1 664 105 105 TYR CB C 36.7 0.3 1 665 105 105 TYR N N 115.6 0.3 1 666 106 106 PRO HA H 4.41 0.02 1 667 106 106 PRO HB2 H 2.16 0.02 2 668 106 106 PRO HB3 H 1.89 0.02 2 669 106 106 PRO HD2 H 3.58 0.02 2 670 106 106 PRO HD3 H 3.48 0.02 2 671 106 106 PRO HG2 H 1.90 0.02 2 672 106 106 PRO HG3 H 1.85 0.02 2 673 106 106 PRO CA C 62.0 0.3 1 674 106 106 PRO CB C 28.7 0.3 1 675 106 106 PRO CD C 47.8 0.3 1 676 106 106 PRO CG C 24.6 0.3 1 677 107 107 ASP H H 8.75 0.02 1 678 107 107 ASP HA H 4.28 0.02 1 679 107 107 ASP HB2 H 2.41 0.02 2 680 107 107 ASP HB3 H 2.53 0.02 2 681 107 107 ASP C C 174.1 0.3 1 682 107 107 ASP CA C 52.4 0.3 1 683 107 107 ASP CB C 36.8 0.3 1 684 107 107 ASP N N 114.6 0.3 1 685 108 108 LEU H H 7.24 0.02 1 686 108 108 LEU HA H 3.99 0.02 1 687 108 108 LEU HB2 H 1.16 0.02 2 688 108 108 LEU HB3 H 0.58 0.02 2 689 108 108 LEU HG H 1.23 0.02 1 690 108 108 LEU C C 173.8 0.3 1 691 108 108 LEU CA C 52.6 0.3 1 692 108 108 LEU CB C 40.0 0.3 1 693 108 108 LEU CD1 C 20.0 0.3 1 694 108 108 LEU CD2 C 14.1 0.3 1 695 108 108 LEU CG C 24.1 0.3 1 696 108 108 LEU N N 119.0 0.3 1 697 109 109 TYR H H 7.54 0.02 1 698 109 109 TYR HA H 4.99 0.02 1 699 109 109 TYR C C 169.7 0.3 1 700 109 109 TYR CA C 51.1 0.3 1 701 109 109 TYR CB C 35.8 0.3 1 702 109 109 TYR N N 117.0 0.3 1 703 111 111 GLN H H 8.57 0.02 1 704 111 111 GLN C C 173.2 0.3 1 705 111 111 GLN CA C 52.1 0.3 1 706 111 111 GLN CB C 27.4 0.3 1 707 111 111 GLN N N 121.6 0.3 1 708 125 125 ALA H H 8.34 0.02 1 709 125 125 ALA C C 175.2 0.3 1 710 125 125 ALA CA C 49.8 0.3 1 711 125 125 ALA CB C 16.2 0.3 1 712 125 125 ALA N N 124.5 0.3 1 713 126 126 GLU H H 8.32 0.02 1 714 126 126 GLU C C 173.7 0.3 1 715 126 126 GLU CA C 53.7 0.3 1 716 126 126 GLU CB C 27.5 0.3 1 717 126 126 GLU N N 120.1 0.3 1 718 127 127 GLN H H 8.28 0.02 1 719 127 127 GLN C C 172.7 0.3 1 720 127 127 GLN CA C 52.8 0.3 1 721 127 127 GLN CB C 26.9 0.3 1 722 127 127 GLN N N 121.4 0.3 1 723 128 128 ALA H H 8.30 0.02 1 724 128 128 ALA HA H 4.17 0.02 1 725 128 128 ALA C C 174.8 0.3 1 726 128 128 ALA CA C 49.6 0.3 1 727 128 128 ALA CB C 16.4 0.3 1 728 128 128 ALA N N 126.1 0.3 1 729 129 129 GLU H H 8.34 0.02 1 730 129 129 GLU HA H 4.16 0.02 1 731 129 129 GLU HB2 H 1.80 0.02 2 732 129 129 GLU HB3 H 2.11 0.02 2 733 129 129 GLU C C 173.4 0.3 1 734 129 129 GLU CA C 53.7 0.3 1 735 129 129 GLU CB C 27.5 0.3 1 736 129 129 GLU CG C 33.4 0.3 1 737 129 129 GLU N N 120.5 0.3 1 738 130 130 GLU H H 8.38 0.02 1 739 130 130 GLU HA H 4.13 0.02 1 740 130 130 GLU HB2 H 1.84 0.02 2 741 130 130 GLU HB3 H 2.12 0.02 2 742 130 130 GLU C C 173.7 0.3 1 743 130 130 GLU CA C 53.7 0.3 1 744 130 130 GLU CB C 27.5 0.3 1 745 130 130 GLU CG C 33.4 0.3 1 746 130 130 GLU N N 121.9 0.3 1 747 131 131 THR H H 8.14 0.02 1 748 131 131 THR HA H 4.19 0.02 1 749 131 131 THR HB H 1.88 0.02 1 750 131 131 THR C C 171.1 0.3 1 751 131 131 THR CA C 58.9 0.3 1 752 131 131 THR CB C 67.1 0.3 1 753 131 131 THR CG2 C 18.9 0.3 1 754 131 131 THR N N 116.2 0.3 1 755 132 132 ALA H H 8.28 0.02 1 756 132 132 ALA HA H 4.69 0.02 1 757 132 132 ALA C C 172.7 0.3 1 758 132 132 ALA CA C 47.8 0.3 1 759 132 132 ALA CB C 15.1 0.3 1 760 132 132 ALA N N 128.3 0.3 1 761 133 133 PRO HA H 4.29 0.02 1 762 133 133 PRO HB2 H 2.16 0.02 2 763 133 133 PRO HB3 H 1.76 0.02 2 764 133 133 PRO HD2 H 3.70 0.02 2 765 133 133 PRO HD3 H 3.52 0.02 2 766 133 133 PRO HG2 H 1.90 0.02 2 767 133 133 PRO HG3 H 1.08 0.02 2 768 133 133 PRO CA C 60.0 0.3 1 769 133 133 PRO CB C 29.2 0.3 1 770 133 133 PRO CD C 47.9 0.3 1 771 133 133 PRO CG C 24.6 0.3 1 772 134 134 ILE H H 8.18 0.02 1 773 134 134 ILE HA H 4.01 0.02 1 774 134 134 ILE HB H 1.71 0.02 1 775 134 134 ILE HG12 H 1.38 0.02 2 776 134 134 ILE HG13 H 1.09 0.02 2 777 134 134 ILE C C 173.7 0.3 1 778 134 134 ILE CA C 58.4 0.3 1 779 134 134 ILE CB C 35.9 0.3 1 780 134 134 ILE CD1 C 24.5 0.3 1 781 134 134 ILE CG1 C 14.7 0.3 1 782 134 134 ILE CG2 C 10.1 0.3 1 783 134 134 ILE N N 121.3 0.3 1 784 135 135 GLU H H 8.41 0.02 1 785 135 135 GLU HA H 4.16 0.02 1 786 135 135 GLU HB2 H 1.83 0.02 2 787 135 135 GLU HB3 H 1.92 0.02 2 788 135 135 GLU C C 173.3 0.3 1 789 135 135 GLU CA C 53.6 0.3 1 790 135 135 GLU CB C 27.4 0.3 1 791 135 135 GLU CG C 33.4 0.3 1 792 135 135 GLU N N 125.3 0.3 1 793 136 136 ALA H H 8.31 0.02 1 794 136 136 ALA HA H 4.18 0.02 1 795 136 136 ALA C C 175.1 0.3 1 796 136 136 ALA CA C 49.7 0.3 1 797 136 136 ALA CB C 16.3 0.3 1 798 136 136 ALA N N 126.0 0.3 1 799 137 137 THR H H 8.03 0.02 1 800 137 137 THR HA H 4.23 0.02 1 801 137 137 THR HB H 4.05 0.02 1 802 137 137 THR C C 171.5 0.3 1 803 137 137 THR CA C 59.0 0.3 1 804 137 137 THR CB C 67.0 0.3 1 805 137 137 THR CG2 C 18.8 0.3 1 806 137 137 THR N N 113.6 0.3 1 807 138 138 ALA H H 8.23 0.02 1 808 138 138 ALA HA H 4.16 0.02 1 809 138 138 ALA C C 175.1 0.3 1 810 138 138 ALA CA C 49.6 0.3 1 811 138 138 ALA CB C 16.4 0.3 1 812 138 138 ALA N N 126.8 0.3 1 813 139 139 THR H H 8.11 0.02 1 814 139 139 THR HA H 4.09 0.02 1 815 139 139 THR HB H 4.08 0.02 1 816 139 139 THR C C 171.6 0.3 1 817 139 139 THR CA C 59.1 0.3 1 818 139 139 THR CB C 67.1 0.3 1 819 139 139 THR CG2 C 18.8 0.3 1 820 139 139 THR N N 114.5 0.3 1 821 140 140 LYS H H 8.31 0.02 1 822 140 140 LYS HA H 4.21 0.02 1 823 140 140 LYS HB2 H 1.71 0.02 2 824 140 140 LYS HB3 H 1.65 0.02 2 825 140 140 LYS HD2 H 1.55 0.02 2 826 140 140 LYS HD3 H 2.87 0.02 2 827 140 140 LYS HE2 H 1.55 0.02 2 828 140 140 LYS HE3 H 2.87 0.02 2 829 140 140 LYS HG2 H 1.31 0.02 2 830 140 140 LYS HG3 H 1.56 0.02 2 831 140 140 LYS C C 173.7 0.3 1 832 140 140 LYS CA C 53.4 0.3 1 833 140 140 LYS CB C 30.1 0.3 1 834 140 140 LYS CD C 26.2 0.3 1 835 140 140 LYS CE C 39.3 0.3 1 836 140 140 LYS CG C 21.8 0.3 1 837 140 140 LYS N N 124.1 0.3 1 838 141 141 GLU H H 8.45 0.02 1 839 141 141 GLU HA H 4.12 0.02 1 840 141 141 GLU HB2 H 1.93 0.02 2 841 141 141 GLU HB3 H 1.83 0.02 2 842 141 141 GLU C C 174.0 0.3 1 843 141 141 GLU CA C 53.9 0.3 1 844 141 141 GLU CB C 27.2 0.3 1 845 141 141 GLU CG C 33.4 0.3 1 846 141 141 GLU N N 122.8 0.3 1 847 142 142 GLU H H 8.15 0.02 1 848 142 142 GLU HA H 4.11 0.02 1 849 142 142 GLU HB2 H 1.86 0.02 2 850 142 142 GLU HB3 H 1.91 0.02 2 851 142 142 GLU C C 173.8 0.3 1 852 142 142 GLU CA C 53.8 0.3 1 853 142 142 GLU CB C 27.8 0.3 1 854 142 142 GLU CG C 33.4 0.3 1 855 142 142 GLU N N 122.2 0.3 1 856 143 143 GLU H H 8.42 0.02 1 857 143 143 GLU HA H 4.16 0.02 1 858 143 143 GLU C C 174.4 0.3 1 859 143 143 GLU CA C 54.2 0.3 1 860 143 143 GLU CB C 27.4 0.3 1 861 143 143 GLU CG C 33.4 0.3 1 862 143 143 GLU N N 122.6 0.3 1 863 144 144 GLY H H 8.40 0.02 1 864 144 144 GLY HA2 H 4.20 0.02 2 865 144 144 GLY HA3 H 3.87 0.02 2 866 144 144 GLY C C 171.4 0.3 1 867 144 144 GLY CA C 42.5 0.3 1 868 144 144 GLY N N 110.2 0.3 1 869 145 145 SER H H 8.12 0.02 1 870 145 145 SER C C 171.1 0.3 1 871 145 145 SER CA C 55.5 0.3 1 872 145 145 SER CB C 61.3 0.3 1 873 145 145 SER N N 115.6 0.3 1 874 146 146 SER H H 7.97 0.02 1 875 146 146 SER C C 175.9 0.3 1 876 146 146 SER CA C 57.1 0.3 1 877 146 146 SER CB C 61.8 0.3 1 878 146 146 SER N N 122.9 0.3 1 stop_ save_ save_Mia40_cs_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Cox17 _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 4 4 THR H H 7.99 0.02 1 2 4 4 THR C C 170.9 0.3 1 3 4 4 THR CA C 58.8 0.3 1 4 4 4 THR CB C 67.2 0.3 1 5 4 4 THR N N 117.3 0.3 1 6 5 5 MET H H 8.25 0.02 1 7 5 5 MET C C 171.2 0.3 1 8 5 5 MET CA C 50.5 0.3 1 9 5 5 MET CB C 29.7 0.3 1 10 5 5 MET N N 124.4 0.3 1 11 7 7 GLY H H 8.37 0.02 1 12 7 7 GLY C C 171.2 0.3 1 13 7 7 GLY CA C 42.4 0.3 1 14 7 7 GLY N N 108.9 0.3 1 15 8 8 LEU H H 7.92 0.02 1 16 8 8 LEU C C 174.6 0.3 1 17 8 8 LEU CA C 52.4 0.3 1 18 8 8 LEU CB C 39.6 0.3 1 19 8 8 LEU N N 121.6 0.3 1 20 9 9 VAL H H 8.05 0.02 1 21 9 9 VAL C C 173.0 0.3 1 22 9 9 VAL CA C 59.4 0.3 1 23 9 9 VAL CB C 30.1 0.3 1 24 9 9 VAL N N 120.8 0.3 1 25 10 10 ASP H H 8.30 0.02 1 26 10 10 ASP C C 173.3 0.3 1 27 10 10 ASP CA C 51.5 0.3 1 28 10 10 ASP CB C 38.5 0.3 1 29 10 10 ASP N N 124.2 0.3 1 30 11 11 SER H H 8.13 0.02 1 31 11 11 SER C C 171.2 0.3 1 32 11 11 SER CA C 55.5 0.3 1 33 11 11 SER CB C 61.1 0.3 1 34 11 11 SER N N 116.2 0.3 1 35 12 12 ASN H H 8.37 0.02 1 36 12 12 ASN C C 170.0 0.3 1 37 12 12 ASN CA C 48.8 0.3 1 38 12 12 ASN CB C 36.1 0.3 1 39 12 12 ASN N N 121.4 0.3 1 40 14 14 ALA H H 8.26 0.02 1 41 14 14 ALA C C 172.2 0.3 1 42 14 14 ALA CA C 47.5 0.3 1 43 14 14 ALA CB C 15.2 0.3 1 44 14 14 ALA N N 125.7 0.3 1 45 17 17 GLU H H 8.55 0.02 1 46 17 17 GLU C C 173.9 0.3 1 47 17 17 GLU CA C 54.1 0.3 1 48 17 17 GLU CB C 27.2 0.3 1 49 17 17 GLU N N 120.5 0.3 1 50 18 18 SER H H 8.24 0.02 1 51 18 18 SER C C 172.0 0.3 1 52 18 18 SER CA C 55.6 0.3 1 53 18 18 SER CB C 61.0 0.3 1 54 18 18 SER N N 116.3 0.3 1 55 19 19 GLN H H 8.30 0.02 1 56 19 19 GLN C C 173.1 0.3 1 57 19 19 GLN CA C 53.1 0.3 1 58 19 19 GLN CB C 26.8 0.3 1 59 19 19 GLN N N 122.2 0.3 1 60 20 20 GLU H H 8.25 0.02 1 61 20 20 GLU C C 173.5 0.3 1 62 20 20 GLU CA C 53.9 0.3 1 63 20 20 GLU CB C 27.3 0.3 1 64 20 20 GLU N N 121.7 0.3 1 65 21 21 LYS H H 8.27 0.02 1 66 21 21 LYS C C 173.5 0.3 1 67 21 21 LYS CA C 53.2 0.3 1 68 21 21 LYS CB C 29.9 0.3 1 69 21 21 LYS N N 122.8 0.3 1 70 22 22 LYS H H 8.22 0.02 1 71 22 22 LYS C C 171.6 0.3 1 72 22 22 LYS CA C 51.3 0.3 1 73 22 22 LYS CB C 29.7 0.3 1 74 22 22 LYS N N 124.0 0.3 1 75 24 24 LEU H H 8.26 0.02 1 76 24 24 LEU C C 174.4 0.3 1 77 24 24 LEU CA C 52.3 0.3 1 78 24 24 LEU CB C 39.8 0.3 1 79 24 24 LEU N N 122.7 0.3 1 80 25 25 LYS H H 8.18 0.02 1 81 25 25 LYS C C 171.6 0.3 1 82 25 25 LYS CA C 51.2 0.3 1 83 25 25 LYS CB C 29.9 0.3 1 84 25 25 LYS N N 123.2 0.3 1 85 29 29 ALA H H 8.35 0.02 1 86 29 29 ALA C C 174.5 0.3 1 87 29 29 ALA CA C 49.6 0.3 1 88 29 29 ALA CB C 16.6 0.3 1 89 29 29 ALA N N 126.6 0.3 1 90 30 30 SER H H 8.26 0.02 1 91 30 30 SER C C 170.2 0.3 1 92 30 30 SER CA C 53.5 0.3 1 93 30 30 SER CB C 60.6 0.3 1 94 30 30 SER N N 116.7 0.3 1 95 32 32 GLU H H 8.48 0.02 1 96 32 32 GLU C C 174.2 0.3 1 97 32 32 GLU CA C 54.2 0.3 1 98 32 32 GLU CB C 27.2 0.3 1 99 32 32 GLU N N 120.4 0.3 1 100 33 33 THR H H 8.04 0.02 1 101 33 33 THR C C 171.9 0.3 1 102 33 33 THR CA C 59.5 0.3 1 103 33 33 THR CB C 66.9 0.3 1 104 33 33 THR N N 115.6 0.3 1 105 34 34 LYS H H 8.19 0.02 1 106 34 34 LYS C C 173.6 0.3 1 107 34 34 LYS CA C 53.8 0.3 1 108 34 34 LYS CB C 30.3 0.3 1 109 34 34 LYS N N 123.9 0.3 1 110 35 35 LYS H H 8.18 0.02 1 111 35 35 LYS C C 173.7 0.3 1 112 35 35 LYS CA C 53.6 0.3 1 113 35 35 LYS CB C 30.4 0.3 1 114 35 35 LYS N N 122.4 0.3 1 115 36 36 ALA H H 8.21 0.02 1 116 36 36 ALA C C 175.2 0.3 1 117 36 36 ALA CA C 49.8 0.3 1 118 36 36 ALA CB C 16.3 0.3 1 119 36 36 ALA N N 125.3 0.3 1 120 37 37 ARG H H 8.25 0.02 1 121 37 37 ARG C C 173.5 0.3 1 122 37 37 ARG CA C 53.7 0.3 1 123 37 37 ARG CB C 28.2 0.3 1 124 37 37 ARG N N 120.4 0.3 1 125 38 38 ASP H H 8.23 0.02 1 126 38 38 ASP C C 173.4 0.3 1 127 38 38 ASP CA C 51.6 0.3 1 128 38 38 ASP CB C 38.3 0.3 1 129 38 38 ASP N N 121.5 0.3 1 130 39 39 ALA H H 8.18 0.02 1 131 39 39 ALA C C 175.1 0.3 1 132 39 39 ALA CA C 50.1 0.3 1 133 39 39 ALA CB C 16.2 0.3 1 134 39 39 ALA N N 124.7 0.3 1 135 40 40 SER H H 8.27 0.02 1 136 40 40 SER C C 171.8 0.3 1 137 40 40 SER CA C 56.2 0.3 1 138 40 40 SER CB C 60.9 0.3 1 139 40 40 SER N N 114.6 0.3 1 140 41 41 ILE H H 7.82 0.02 1 141 41 41 ILE C C 173.4 0.3 1 142 41 41 ILE CA C 58.6 0.3 1 143 41 41 ILE CB C 35.6 0.3 1 144 41 41 ILE N N 121.9 0.3 1 145 42 42 ILE H H 7.98 0.02 1 146 42 42 ILE C C 173.5 0.3 1 147 42 42 ILE CA C 58.4 0.3 1 148 42 42 ILE CB C 35.6 0.3 1 149 42 42 ILE N N 124.5 0.3 1 150 43 43 GLU H H 8.34 0.02 1 151 43 43 GLU C C 173.6 0.3 1 152 43 43 GLU CA C 53.8 0.3 1 153 43 43 GLU CB C 27.4 0.3 1 154 43 43 GLU N N 125.3 0.3 1 155 44 44 LYS H H 8.29 0.02 1 156 44 44 LYS C C 174.3 0.3 1 157 44 44 LYS CA C 53.8 0.3 1 158 44 44 LYS CB C 30.2 0.3 1 159 44 44 LYS N N 122.3 0.3 1 160 45 45 GLY H H 8.37 0.02 1 161 45 45 GLY C C 171.4 0.3 1 162 45 45 GLY CA C 42.5 0.3 1 163 45 45 GLY N N 110.0 0.3 1 164 46 46 GLU H H 8.25 0.02 1 165 46 46 GLU C C 173.9 0.3 1 166 46 46 GLU CA C 53.8 0.3 1 167 46 46 GLU CB C 27.6 0.3 1 168 46 46 GLU N N 120.4 0.3 1 169 47 47 GLU H H 8.49 0.02 1 170 47 47 GLU C C 173.7 0.3 1 171 47 47 GLU CA C 54.2 0.3 1 172 47 47 GLU CB C 27.4 0.3 1 173 47 47 GLU N N 121.6 0.3 1 174 48 48 HIS H H 8.30 0.02 1 175 48 48 HIS C C 172.6 0.3 1 176 48 48 HIS CA C 53.5 0.3 1 177 48 48 HIS CB C 27.7 0.3 1 178 48 48 HIS N N 120.1 0.3 1 179 52 52 LEU H H 7.98 0.02 1 180 52 52 LEU C C 174.7 0.3 1 181 52 52 LEU CA C 52.7 0.3 1 182 52 52 LEU CB C 39.3 0.3 1 183 52 52 LEU N N 122.9 0.3 1 184 53 53 ILE H H 7.95 0.02 1 185 53 53 ILE C C 173.9 0.3 1 186 53 53 ILE CA C 58.9 0.3 1 187 53 53 ILE CB C 35.6 0.3 1 188 53 53 ILE N N 121.6 0.3 1 189 54 54 GLU H H 8.32 0.02 1 190 54 54 GLU C C 174.1 0.3 1 191 54 54 GLU CA C 54.5 0.3 1 192 54 54 GLU CB C 27.1 0.3 1 193 54 54 GLU N N 124.1 0.3 1 194 55 55 ALA H H 8.14 0.02 1 195 55 55 ALA C C 175.6 0.3 1 196 55 55 ALA CA C 50.5 0.3 1 197 55 55 ALA CB C 15.9 0.3 1 198 55 55 ALA N N 123.8 0.3 1 199 56 56 HIS H H 8.12 0.02 1 200 56 56 HIS C C 173.5 0.3 1 201 56 56 HIS CA C 54.3 0.3 1 202 56 56 HIS CB C 27.5 0.3 1 203 56 56 HIS N N 118.4 0.3 1 204 57 57 LYS H H 8.05 0.02 1 205 57 57 LYS C C 174.7 0.3 1 206 57 57 LYS CA C 55.1 0.3 1 207 57 57 LYS CB C 30.0 0.3 1 208 57 57 LYS N N 121.7 0.3 1 209 58 58 GLU H H 8.38 0.02 1 210 58 58 GLU C C 174.9 0.3 1 211 58 58 GLU CA C 54.9 0.3 1 212 58 58 GLU CB C 26.9 0.3 1 213 58 58 GLU N N 120.6 0.3 1 214 59 59 SER H H 8.13 0.02 1 215 59 59 SER C C 172.6 0.3 1 216 59 59 SER CA C 56.8 0.3 1 217 59 59 SER CB C 60.9 0.3 1 218 59 59 SER N N 116.2 0.3 1 219 60 60 MET H H 8.06 0.02 1 220 60 60 MET C C 174.5 0.3 1 221 60 60 MET CA C 53.6 0.3 1 222 60 60 MET CB C 29.7 0.3 1 223 60 60 MET N N 121.0 0.3 1 224 61 61 ARG H H 8.08 0.02 1 225 61 61 ARG C C 174.5 0.3 1 226 61 61 ARG CA C 54.5 0.3 1 227 61 61 ARG CB C 27.7 0.3 1 228 61 61 ARG N N 121.5 0.3 1 229 62 62 ALA H H 8.05 0.02 1 230 62 62 ALA C C 175.3 0.3 1 231 62 62 ALA CA C 50.3 0.3 1 232 62 62 ALA CB C 16.0 0.3 1 233 62 62 ALA N N 123.8 0.3 1 234 63 63 LEU H H 7.85 0.02 1 235 63 63 LEU C C 175.1 0.3 1 236 63 63 LEU CA C 52.6 0.3 1 237 63 63 LEU CB C 39.6 0.3 1 238 63 63 LEU N N 119.8 0.3 1 239 64 64 GLY H H 8.05 0.02 1 240 64 64 GLY C C 171.1 0.3 1 241 64 64 GLY CA C 42.4 0.3 1 242 64 64 GLY N N 107.9 0.3 1 243 65 65 PHE H H 7.76 0.02 1 244 65 65 PHE C C 172.4 0.3 1 245 65 65 PHE CA C 54.8 0.3 1 246 65 65 PHE CB C 36.9 0.3 1 247 65 65 PHE N N 119.5 0.3 1 248 66 66 LYS H H 8.16 0.02 1 249 66 66 LYS C C 172.2 0.3 1 250 66 66 LYS CA C 53.4 0.3 1 251 66 66 LYS CB C 30.1 0.3 1 252 66 66 LYS N N 123.9 0.3 1 253 67 67 ILE H H 7.62 0.02 1 254 67 67 ILE C C 178.1 0.3 1 255 67 67 ILE CA C 60.0 0.3 1 256 67 67 ILE CB C 36.9 0.3 1 257 67 67 ILE N N 127.3 0.3 1 stop_ save_