data_15072 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; OSCP-NT (1-120) in complex with N-terminal (1-25) alpha subunit from F1-ATPase ; _BMRB_accession_number 15072 _BMRB_flat_file_name bmr15072.str _Entry_type new _Submission_date 2006-12-12 _Accession_date 2006-12-12 _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 Carbajo Rodrigo J. . 2 Neuhaus David . . 3 Kellas Fiona A. . 4 Yang Ji-Chun . . 5 Runswick Michael J. . 6 Montgomery Martin G. . 7 Walker John E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 566 "13C chemical shifts" 222 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-04-17 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6564 'Chemical Shift Assignment for OSCP-NT (1-120)' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'How the N-terminal Domain of the OSCP Subunit of Bovine F1Fo-ATP Synthase Interacts with the N-terminal Region of an Alpha Subunit' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17355883 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Carbajo Rodrigo J. . 2 Kellas Fiona A. . 3 Yang Ji-Chun . . 4 Runswick Michael J. . 5 Montgomery Martin G. . 6 Walker John E. . 7 Neuhaus David . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 368 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 310 _Page_last 318 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'oscp-nt alpha-nt' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'OSCP N-terminal 1-120' $oscp-nt 'alpha N-terminal 1-25' $alpha-nt stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_oscp-nt _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common oscp-nt _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; FAKLVRPPVQIYGIEGRYAT ALYSAASKQNKLEQVEKELL RVGQILKEPKMAASLLNPYV KRSVKVKSLSDMTAKEKFSP LTSNLINLLAENGRLTNTPA VISAFSTMMSVHRGEVPCTV ; loop_ _Residue_seq_code _Residue_label 1 PHE 2 ALA 3 LYS 4 LEU 5 VAL 6 ARG 7 PRO 8 PRO 9 VAL 10 GLN 11 ILE 12 TYR 13 GLY 14 ILE 15 GLU 16 GLY 17 ARG 18 TYR 19 ALA 20 THR 21 ALA 22 LEU 23 TYR 24 SER 25 ALA 26 ALA 27 SER 28 LYS 29 GLN 30 ASN 31 LYS 32 LEU 33 GLU 34 GLN 35 VAL 36 GLU 37 LYS 38 GLU 39 LEU 40 LEU 41 ARG 42 VAL 43 GLY 44 GLN 45 ILE 46 LEU 47 LYS 48 GLU 49 PRO 50 LYS 51 MET 52 ALA 53 ALA 54 SER 55 LEU 56 LEU 57 ASN 58 PRO 59 TYR 60 VAL 61 LYS 62 ARG 63 SER 64 VAL 65 LYS 66 VAL 67 LYS 68 SER 69 LEU 70 SER 71 ASP 72 MET 73 THR 74 ALA 75 LYS 76 GLU 77 LYS 78 PHE 79 SER 80 PRO 81 LEU 82 THR 83 SER 84 ASN 85 LEU 86 ILE 87 ASN 88 LEU 89 LEU 90 ALA 91 GLU 92 ASN 93 GLY 94 ARG 95 LEU 96 THR 97 ASN 98 THR 99 PRO 100 ALA 101 VAL 102 ILE 103 SER 104 ALA 105 PHE 106 SER 107 THR 108 MET 109 MET 110 SER 111 VAL 112 HIS 113 ARG 114 GLY 115 GLU 116 VAL 117 PRO 118 CYS 119 THR 120 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-05 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 2BO5 "Bovine Oligomycin Sensitivity Conferral Protein N-Terminal Domain" 100.00 120 100.00 100.00 3.58e-80 PDB 2JMX "Oscp-Nt (1-120) In Complex With N-Terminal (1-25) Alpha Subunit From F1-Atpase" 100.00 120 100.00 100.00 3.58e-80 PDB 4B2Q "Model Of The Yeast F1fo-atp Synthase Dimer Based On Subtomogram Average" 100.00 120 100.00 100.00 3.58e-80 PDB 5ARA "Bovine Mitochondrial Atp Synthase State 1a" 100.00 190 100.00 100.00 2.69e-80 PDB 5ARE "Bovine Mitochondrial Atp Synthase State 1b" 100.00 190 100.00 100.00 2.69e-80 PDB 5ARH "Bovine Mitochondrial Atp Synthase State 2a" 100.00 190 100.00 100.00 2.69e-80 PDB 5ARI "Bovine Mitochondrial Atp Synthase State 2b" 100.00 190 100.00 100.00 2.69e-80 PDB 5FIJ "Bovine Mitochondrial Atp Synthase State 2c" 100.00 190 100.00 100.00 2.69e-80 PDB 5FIK "Bovine Mitochondrial Atp Synthase State 3a" 100.00 190 100.00 100.00 2.69e-80 PDB 5FIL "Bovine Mitochondrial Atp Synthase State 3b" 100.00 190 100.00 100.00 2.69e-80 GB AAA30676 "oligomycin sensitivity conferral protein precursor [Bos taurus]" 100.00 213 100.00 100.00 6.32e-80 GB AAI02205 "ATP synthase, H+ transporting, mitochondrial F1 complex, O subunit [Bos taurus]" 100.00 213 100.00 100.00 6.60e-80 GB ELR58089 "ATP synthase subunit O, mitochondrial [Bos mutus]" 100.00 213 98.33 98.33 9.46e-78 PRF 1002210A "protein,oligomycin sensitivity" 100.00 190 98.33 99.17 2.32e-78 REF NP_776669 "ATP synthase subunit O, mitochondrial precursor [Bos taurus]" 100.00 213 100.00 100.00 6.32e-80 REF XP_005674722 "PREDICTED: ATP synthase subunit O, mitochondrial [Capra hircus]" 100.00 213 97.50 99.17 5.67e-78 REF XP_005893414 "PREDICTED: ATP synthase subunit O, mitochondrial isoform X1 [Bos mutus]" 100.00 213 98.33 98.33 9.46e-78 REF XP_005956973 "PREDICTED: ATP synthase subunit O, mitochondrial isoform X1 [Pantholops hodgsonii]" 100.00 213 97.50 99.17 5.26e-78 REF XP_005956974 "PREDICTED: ATP synthase subunit O, mitochondrial isoform X2 [Pantholops hodgsonii]" 100.00 194 97.50 99.17 4.27e-78 SP P13621 "RecName: Full=ATP synthase subunit O, mitochondrial; AltName: Full=Oligomycin sensitivity conferral protein; Short=OSCP; Flags:" 100.00 213 100.00 100.00 6.60e-80 TPG DAA33707 "TPA: ATP synthase subunit O, mitochondrial precursor [Bos taurus]" 100.00 213 100.00 100.00 6.60e-80 stop_ save_ save_alpha-nt _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common alpha-nt _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 25 _Mol_residue_sequence ; QKTGTAEVSSILEERILGAD TSVDL ; loop_ _Residue_seq_code _Residue_label 1 GLN 2 LYS 3 THR 4 GLY 5 THR 6 ALA 7 GLU 8 VAL 9 SER 10 SER 11 ILE 12 LEU 13 GLU 14 GLU 15 ARG 16 ILE 17 LEU 18 GLY 19 ALA 20 ASP 21 THR 22 SER 23 VAL 24 ASP 25 LEU 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 1BMF "Bovine Mitochondrial F1-Atpase" 100.00 510 100.00 100.00 1.37e-05 PDB 1E1Q "Bovine Mitochondrial F1-Atpase At 100k" 100.00 510 100.00 100.00 1.37e-05 PDB 1E1R "Bovine Mitochondrial F1-Atpase Inhibited By Mg2+adp And Aluminium Fluoride" 100.00 510 100.00 100.00 1.37e-05 PDB 1E79 "Bovine F1-atpase Inhibited By Dccd (dicyclohexylcarbodiimide)" 100.00 510 100.00 100.00 1.37e-05 PDB 1H8E "(Adp.Alf4)2(Adp.So4) Bovine F1-Atpase (All Three Catalytic Sites Occupied)" 100.00 510 100.00 100.00 1.37e-05 PDB 1H8H "Bovine Mitochondrial F1-atpase Crystallised In The Presence Of 5mm Amppnp" 100.00 510 100.00 100.00 1.37e-05 PDB 1NBM "The Structure Of Bovine F1-Atpase Covalently Inhibited With 4-Chloro-7-Nitrobenzofurazan" 100.00 510 100.00 100.00 1.37e-05 PDB 1OHH "Bovine Mitochondrial F1-Atpase Complexed With The Inhibitor Protein If1" 100.00 510 100.00 100.00 1.37e-05 PDB 1QO1 "Molecular Architecture Of The Rotary Motor In Atp Synthase From Yeast Mitochondria" 100.00 510 100.00 100.00 1.37e-05 PDB 1W0J "Beryllium Fluoride Inhibited Bovine F1-atpase" 100.00 510 100.00 100.00 1.37e-05 PDB 1W0K "Beryllium Fluoride Inhibited Bovine F1-atpase" 100.00 510 100.00 100.00 1.37e-05 PDB 2CK3 "Azide Inhibited Bovine F1-atpase" 100.00 510 100.00 100.00 1.37e-05 PDB 2JDI "Ground State Structure Of F1-Atpase From Bovine Heart Mitochondria (Bovine F1-Atpase Crystallised In The Absence Of Azide)" 100.00 510 100.00 100.00 1.37e-05 PDB 2JMX "Oscp-Nt (1-120) In Complex With N-Terminal (1-25) Alpha Subunit From F1-Atpase" 100.00 25 100.00 100.00 1.05e-06 PDB 2W6E "Low Resolution Structures Of Bovine Mitochondrial F1-Atpase During Controlled Dehydration: Hydration State 1." 100.00 553 100.00 100.00 1.26e-05 PDB 2W6F "Low Resolution Structures Of Bovine Mitochondrial F1-Atpase During Controlled Dehydration: Hydration State 2." 100.00 553 100.00 100.00 1.26e-05 PDB 2W6G "Low Resolution Structures Of Bovine Mitochondrial F1-Atpase During Controlled Dehydration: Hydration State 3." 100.00 553 100.00 100.00 1.26e-05 PDB 2W6H "Low Resolution Structures Of Bovine Mitochondrial F1-Atpase During Controlled Dehydration: Hydration State 4a." 100.00 553 100.00 100.00 1.26e-05 PDB 2W6I "Low Resolution Structures Of Bovine Mitochondrial F1-Atpase During Controlled Dehydration: Hydration State 4b." 100.00 553 100.00 100.00 1.26e-05 PDB 2W6J "Low Resolution Structures Of Bovine Mitochondrial F1-Atpase During Controlled Dehydration: Hydration State 5." 100.00 553 100.00 100.00 1.26e-05 PDB 2WSS "The Structure Of The Membrane Extrinsic Region Of Bovine Atp Synthase" 100.00 510 100.00 100.00 1.37e-05 PDB 4ASU "F1-Atpase In Which All Three Catalytic Sites Contain Bound Nucleotide, With Magnesium Ion Released In The Empty Site" 100.00 510 100.00 100.00 1.37e-05 PDB 4TSF "The Pathway Of Binding Of The Intrinsically Disordered Mitochondrial Inhibitor Protein To F1-atpase" 100.00 510 100.00 100.00 1.37e-05 PDB 4TT3 "The Pathway Of Binding Of The Intrinsically Disordered Mitochondrial Inhibitor Protein To F1-atpase" 100.00 510 100.00 100.00 1.37e-05 DBJ BAK09231 "ATP synthase alpha subunit 1 [Mesocricetus auratus]" 100.00 553 100.00 100.00 1.28e-05 EMBL CAA45865 "H(+)-transporting ATP synthase [Bos taurus]" 100.00 553 100.00 100.00 1.26e-05 GB AAB59266 "alpha subunit ATP synthase isoform precursor (EC 3.6.1.34) [Bos taurus]" 100.00 553 100.00 100.00 1.26e-05 GB AAI16060 "ATP synthase, H+ transporting, mitochondrial F1 complex, alpha subunit 1, cardiac muscle [Bos taurus]" 100.00 553 100.00 100.00 1.22e-05 GB ACD02421 "cardiac muscle ATP synthase H+ transporting mitochondrial F1 complex alpha subunit 1 [Sus scrofa]" 100.00 553 100.00 100.00 1.24e-05 GB EFB21996 "hypothetical protein PANDA_006569 [Ailuropoda melanoleuca]" 88.00 507 100.00 100.00 1.54e-03 GB EGW04262 "ATP synthase subunit alpha, mitochondrial [Cricetulus griseus]" 100.00 65 100.00 100.00 1.28e-06 REF NP_001172071 "ATP synthase subunit alpha, mitochondrial [Sus scrofa]" 100.00 553 100.00 100.00 1.24e-05 REF NP_001268629 "ATP synthase, H+ transporting, mitochondrial F1 complex, alpha subunit 1, cardiac muscle [Mesocricetus auratus]" 100.00 553 100.00 100.00 1.28e-05 REF NP_001274083 "ATP synthase subunit alpha, mitochondrial [Canis lupus familiaris]" 100.00 553 100.00 100.00 1.32e-05 REF NP_777109 "ATP synthase subunit alpha, mitochondrial precursor [Bos taurus]" 100.00 553 100.00 100.00 1.26e-05 REF XP_001506958 "PREDICTED: ATP synthase subunit alpha, mitochondrial [Ornithorhynchus anatinus]" 100.00 553 100.00 100.00 1.31e-05 SP P19483 "RecName: Full=ATP synthase subunit alpha, mitochondrial; Flags: Precursor [Bos taurus]" 100.00 553 100.00 100.00 1.26e-05 SP P80021 "RecName: Full=ATP synthase subunit alpha, mitochondrial; AltName: Full=ATP synthase subunit alpha heart isoform, mitochondrial;" 100.00 553 100.00 100.00 1.24e-05 TPG DAA15776 "TPA: ATP synthase subunit alpha, mitochondrial precursor [Bos taurus]" 100.00 553 100.00 100.00 1.27e-05 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $oscp-nt Cow 9913 Eukaryota Metazoa Bos taurus $alpha-nt Cow 9913 Eukaryota Metazoa Bos taurus 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 $oscp-nt 'recombinant technology' . . . . pET10 $alpha-nt 'chemical synthesis' . . . . . 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 $oscp-nt 0.5 mM '[U-99% 13C; U-99% 15N]' $alpha-nt 1.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version . loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_nmr_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_nmr_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_nmr_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 300 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 0.5 . M 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 TSP H 1 'methylene protons' ppm 0.00 external direct . . . 1.000000000 TSP C 13 'methylene protons' ppm 0.00 external indirect . . . 0.251449530 TSP N 15 'methylene protons' ppm 0.00 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_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 'OSCP N-terminal 1-120' _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 1 1 PHE HA H 4.74 0.01 1 2 1 1 PHE HB2 H 3.12 0.01 2 3 1 1 PHE HB3 H 3.24 0.01 2 4 1 1 PHE HD1 H 7.37 0.01 1 5 1 1 PHE HD2 H 7.37 0.01 1 6 1 1 PHE HE1 H 7.44 0.01 1 7 1 1 PHE HE2 H 7.44 0.01 1 8 1 1 PHE HZ H 7.38 0.01 1 9 1 1 PHE CB C 39.5 0.2 1 10 1 1 PHE CD1 C 131.9 0.2 1 11 1 1 PHE CD2 C 131.9 0.2 1 12 1 1 PHE CE1 C 131.9 0.2 1 13 1 1 PHE CE2 C 131.9 0.2 1 14 1 1 PHE CZ C 130.0 0.2 1 15 2 2 ALA H H 8.41 0.01 1 16 2 2 ALA HA H 4.37 0.01 1 17 2 2 ALA HB H 1.42 0.01 1 18 2 2 ALA CA C 52.3 0.2 1 19 2 2 ALA CB C 19.7 0.2 1 20 2 2 ALA N N 126.1 0.2 1 21 3 3 LYS H H 8.18 0.01 1 22 3 3 LYS HB2 H 1.80 0.01 2 23 3 3 LYS HB3 H 1.90 0.01 2 24 3 3 LYS CB C 33.2 0.2 1 25 3 3 LYS N N 120.4 0.2 1 26 4 4 LEU H H 8.23 0.01 1 27 4 4 LEU HB2 H 1.57 0.01 2 28 4 4 LEU HB3 H 1.62 0.01 2 29 4 4 LEU CB C 42.8 0.2 1 30 4 4 LEU N N 124.4 0.2 1 31 5 5 VAL H H 8.25 0.01 1 32 5 5 VAL N N 122.6 0.2 1 33 6 6 ARG H H 8.33 0.01 1 34 6 6 ARG HA H 4.71 0.01 1 35 6 6 ARG HB2 H 1.78 0.01 2 36 6 6 ARG HB3 H 1.87 0.01 2 37 6 6 ARG HG2 H 1.73 0.01 1 38 6 6 ARG HG3 H 1.73 0.01 1 39 6 6 ARG HD2 H 3.26 0.01 1 40 6 6 ARG HD3 H 3.26 0.01 1 41 6 6 ARG CB C 30.2 0.2 1 42 6 6 ARG CD C 43.5 0.2 1 43 6 6 ARG N N 126.3 0.2 1 44 7 7 PRO HD2 H 3.70 0.01 2 45 7 7 PRO HD3 H 3.88 0.01 2 46 7 7 PRO CD C 50.3 0.2 1 47 8 8 PRO HA H 4.45 0.01 1 48 8 8 PRO CA C 63.5 0.2 1 49 9 9 VAL HG1 H 0.83 0.01 2 50 9 9 VAL HG2 H 0.92 0.01 2 51 9 9 VAL CG1 C 20.8 0.2 2 52 9 9 VAL CG2 C 20.7 0.2 2 53 10 10 GLN H H 8.33 0.01 1 54 10 10 GLN HG2 H 2.20 0.01 1 55 10 10 GLN HG3 H 2.20 0.01 1 56 10 10 GLN HE21 H 6.81 0.01 2 57 10 10 GLN HE22 H 7.37 0.01 2 58 10 10 GLN CG C 33.7 0.2 1 59 10 10 GLN N N 124.0 0.2 1 60 10 10 GLN NE2 N 112.3 0.2 1 61 11 11 ILE HB H 1.62 0.01 1 62 11 11 ILE HG2 H 0.84 0.01 1 63 11 11 ILE HD1 H 0.85 0.01 1 64 11 11 ILE CB C 39.1 0.2 1 65 11 11 ILE CG2 C 17.5 0.2 1 66 11 11 ILE CD1 C 12.9 0.2 1 67 12 12 TYR HB2 H 2.96 0.01 2 68 12 12 TYR HB3 H 3.26 0.01 2 69 12 12 TYR HD1 H 7.24 0.01 1 70 12 12 TYR HD2 H 7.24 0.01 1 71 12 12 TYR HE1 H 6.88 0.01 1 72 12 12 TYR HE2 H 6.88 0.01 1 73 12 12 TYR CD1 C 133.1 0.2 1 74 12 12 TYR CD2 C 133.1 0.2 1 75 12 12 TYR CE1 C 118.3 0.2 1 76 12 12 TYR CE2 C 118.3 0.2 1 77 13 13 GLY H H 8.30 0.01 1 78 13 13 GLY HA2 H 4.03 0.01 1 79 13 13 GLY CA C 45.4 0.2 1 80 13 13 GLY N N 108.9 0.2 1 81 14 14 ILE H H 8.80 0.01 1 82 14 14 ILE HG12 H 1.28 0.01 2 83 14 14 ILE HG13 H 1.59 0.01 2 84 14 14 ILE HG2 H 0.96 0.01 1 85 14 14 ILE HD1 H 1.01 0.01 1 86 14 14 ILE CG1 C 28.8 0.2 1 87 14 14 ILE CG2 C 17.4 0.2 1 88 14 14 ILE CD1 C 13.2 0.2 1 89 14 14 ILE N N 122.0 0.2 1 90 16 16 GLY H H 7.87 0.01 1 91 16 16 GLY N N 107.2 0.2 1 92 17 17 ARG H H 8.08 0.01 1 93 17 17 ARG N N 124.1 0.2 1 94 18 18 TYR HD1 H 7.15 0.01 1 95 18 18 TYR HD2 H 7.15 0.01 1 96 18 18 TYR HE1 H 6.66 0.01 1 97 18 18 TYR HE2 H 6.66 0.01 1 98 18 18 TYR CD1 C 132.1 0.2 1 99 18 18 TYR CD2 C 132.1 0.2 1 100 18 18 TYR CE1 C 118.0 0.2 1 101 18 18 TYR CE2 C 118.0 0.2 1 102 19 19 ALA H H 8.49 0.01 1 103 19 19 ALA HA H 4.19 0.01 1 104 19 19 ALA HB H 1.80 0.01 1 105 19 19 ALA CA C 56.0 0.2 1 106 19 19 ALA CB C 18.5 0.2 1 107 19 19 ALA N N 119.9 0.2 1 108 20 20 THR H H 8.53 0.01 1 109 20 20 THR HA H 3.92 0.01 1 110 20 20 THR HB H 4.38 0.01 1 111 20 20 THR HG2 H 1.35 0.01 1 112 20 20 THR CB C 68.7 0.2 1 113 20 20 THR CG2 C 21.4 0.2 1 114 20 20 THR N N 115.2 0.2 1 115 21 21 ALA HA H 4.34 0.01 1 116 21 21 ALA HB H 1.61 0.01 1 117 21 21 ALA CA C 55.3 0.2 1 118 21 21 ALA CB C 18.5 0.2 1 119 22 22 LEU HD1 H 0.29 0.01 2 120 22 22 LEU CD1 C 26.5 0.2 2 121 23 23 TYR H H 9.13 0.01 1 122 23 23 TYR HD1 H 6.77 0.01 1 123 23 23 TYR HD2 H 6.77 0.01 1 124 23 23 TYR HE1 H 6.53 0.01 1 125 23 23 TYR HE2 H 6.53 0.01 1 126 23 23 TYR CD1 C 133.4 0.2 1 127 23 23 TYR CD2 C 133.4 0.2 1 128 23 23 TYR CE1 C 118.4 0.2 1 129 23 23 TYR CE2 C 118.4 0.2 1 130 23 23 TYR N N 120.3 0.2 1 131 25 25 ALA HB H 1.56 0.01 1 132 25 25 ALA CB C 19.6 0.2 1 133 26 26 ALA H H 9.17 0.01 1 134 26 26 ALA HA H 3.87 0.01 1 135 26 26 ALA HB H 1.30 0.01 1 136 26 26 ALA CA C 54.7 0.2 1 137 26 26 ALA CB C 18.1 0.2 1 138 26 26 ALA N N 116.5 0.2 1 139 27 27 SER H H 8.77 0.01 1 140 27 27 SER HA H 4.07 0.01 1 141 27 27 SER CA C 61.7 0.2 1 142 27 27 SER N N 115.5 0.2 1 143 29 29 GLN H H 7.27 0.01 1 144 29 29 GLN HA H 4.51 0.01 1 145 29 29 GLN HE21 H 6.93 0.01 2 146 29 29 GLN N N 113.6 0.2 1 147 29 29 GLN NE2 N 111.0 0.2 1 148 30 30 ASN H H 7.99 0.01 1 149 30 30 ASN HA H 4.69 0.01 1 150 30 30 ASN HB2 H 2.90 0.01 2 151 30 30 ASN HB3 H 3.36 0.01 2 152 30 30 ASN HD21 H 6.97 0.01 2 153 30 30 ASN HD22 H 7.67 0.01 2 154 30 30 ASN CA C 54.2 0.2 1 155 30 30 ASN CB C 37.1 0.2 1 156 30 30 ASN N N 117.5 0.2 1 157 30 30 ASN ND2 N 112.5 0.2 1 158 31 31 LYS HA H 5.13 0.01 1 159 31 31 LYS HB2 H 1.29 0.01 2 160 31 31 LYS HB3 H 2.44 0.01 2 161 31 31 LYS HD2 H 1.46 0.01 2 162 31 31 LYS CB C 34.9 0.2 1 163 32 32 LEU H H 8.22 0.01 1 164 32 32 LEU HD1 H 0.47 0.01 2 165 32 32 LEU HD2 H 0.59 0.01 2 166 32 32 LEU CD1 C 25.2 0.2 2 167 32 32 LEU CD2 C 23.9 0.2 2 168 32 32 LEU N N 121.0 0.2 1 169 33 33 GLU H H 8.59 0.01 1 170 33 33 GLU HA H 4.11 0.01 1 171 33 33 GLU HB2 H 2.09 0.01 2 172 33 33 GLU HB3 H 2.15 0.01 2 173 33 33 GLU HG2 H 2.38 0.01 2 174 33 33 GLU HG3 H 2.46 0.01 2 175 33 33 GLU CA C 60.4 0.2 1 176 33 33 GLU CB C 28.7 0.2 1 177 33 33 GLU CG C 37.6 0.2 1 178 33 33 GLU N N 115.0 0.2 1 179 34 34 GLN H H 8.02 0.01 1 180 34 34 GLN HA H 4.16 0.01 1 181 34 34 GLN HB2 H 2.05 0.01 2 182 34 34 GLN HB3 H 2.31 0.01 2 183 34 34 GLN HG2 H 2.34 0.01 2 184 34 34 GLN HG3 H 2.56 0.01 2 185 34 34 GLN HE21 H 7.14 0.01 2 186 34 34 GLN HE22 H 7.81 0.01 2 187 34 34 GLN CA C 59.2 0.2 1 188 34 34 GLN CB C 28.3 0.2 1 189 34 34 GLN CG C 33.3 0.2 1 190 34 34 GLN N N 120.6 0.2 1 191 34 34 GLN NE2 N 112.0 0.2 1 192 35 35 VAL H H 8.44 0.01 1 193 35 35 VAL HB H 2.05 0.01 1 194 35 35 VAL HG1 H 0.59 0.01 2 195 35 35 VAL HG2 H 1.00 0.01 2 196 35 35 VAL CG1 C 22.2 0.2 2 197 35 35 VAL CG2 C 23.9 0.2 2 198 35 35 VAL N N 118.4 0.2 1 199 36 36 GLU H H 8.55 0.01 1 200 36 36 GLU N N 120.2 0.2 1 201 37 37 LYS H H 7.55 0.01 1 202 37 37 LYS N N 116.3 0.2 1 203 38 38 GLU H H 8.27 0.01 1 204 38 38 GLU N N 120.5 0.2 1 205 39 39 LEU H H 8.90 0.01 1 206 39 39 LEU HA H 3.81 0.01 1 207 39 39 LEU HB3 H 1.93 0.01 2 208 39 39 LEU HG H 1.65 0.01 1 209 39 39 LEU HD1 H 0.41 0.01 2 210 39 39 LEU HD2 H 0.48 0.01 2 211 39 39 LEU CA C 57.8 0.2 1 212 39 39 LEU CD1 C 25.4 0.2 2 213 39 39 LEU CD2 C 22.2 0.2 2 214 39 39 LEU N N 119.5 0.2 1 215 40 40 LEU H H 8.13 0.01 1 216 40 40 LEU HB2 H 1.61 0.01 2 217 40 40 LEU HD1 H 0.94 0.01 2 218 40 40 LEU CB C 41.0 0.2 1 219 40 40 LEU CD1 C 22.4 0.2 2 220 40 40 LEU N N 118.5 0.2 1 221 41 41 ARG H H 7.69 0.01 1 222 41 41 ARG HA H 4.35 0.01 1 223 41 41 ARG HB3 H 2.62 0.01 2 224 41 41 ARG HG3 H 2.15 0.01 2 225 41 41 ARG HD3 H 3.63 0.01 2 226 41 41 ARG CA C 58.8 0.2 1 227 41 41 ARG CB C 28.9 0.2 1 228 41 41 ARG CG C 27.0 0.2 1 229 41 41 ARG CD C 43.3 0.2 1 230 41 41 ARG N N 121.1 0.2 1 231 42 42 VAL H H 8.71 0.01 1 232 42 42 VAL HA H 3.62 0.01 1 233 42 42 VAL HB H 2.30 0.01 1 234 42 42 VAL HG1 H 0.78 0.01 2 235 42 42 VAL HG2 H 0.78 0.01 2 236 42 42 VAL CA C 67.4 0.2 1 237 42 42 VAL CB C 30.8 0.2 1 238 42 42 VAL CG1 C 24.4 0.2 2 239 42 42 VAL CG2 C 21.4 0.2 2 240 42 42 VAL N N 121.4 0.2 1 241 43 43 GLY H H 8.58 0.01 1 242 43 43 GLY HA2 H 3.62 0.01 2 243 43 43 GLY HA3 H 3.90 0.01 2 244 43 43 GLY CA C 47.4 0.2 1 245 43 43 GLY N N 105.4 0.2 1 246 44 44 GLN H H 7.59 0.01 1 247 44 44 GLN HB3 H 2.46 0.01 2 248 44 44 GLN HG2 H 2.55 0.01 2 249 44 44 GLN HG3 H 2.67 0.01 2 250 44 44 GLN HE21 H 6.95 0.01 2 251 44 44 GLN HE22 H 7.65 0.01 2 252 44 44 GLN CB C 28.9 0.2 1 253 44 44 GLN CG C 33.7 0.2 1 254 44 44 GLN N N 119.3 0.2 1 255 44 44 GLN NE2 N 112.5 0.2 1 256 45 45 ILE H H 8.36 0.01 1 257 45 45 ILE HA H 3.83 0.01 1 258 45 45 ILE HG12 H 1.18 0.01 2 259 45 45 ILE HG2 H 1.04 0.01 1 260 45 45 ILE HD1 H 1.00 0.01 1 261 45 45 ILE CG1 C 29.2 0.2 1 262 45 45 ILE CG2 C 17.8 0.2 1 263 45 45 ILE CD1 C 14.9 0.2 1 264 45 45 ILE N N 123.3 0.2 1 265 46 46 LEU H H 8.14 0.01 1 266 46 46 LEU HA H 3.99 0.01 1 267 46 46 LEU HB2 H 1.60 0.01 2 268 46 46 LEU HB3 H 1.86 0.01 2 269 46 46 LEU HD1 H 0.80 0.01 2 270 46 46 LEU HD2 H 0.83 0.01 2 271 46 46 LEU CA C 56.6 0.2 1 272 46 46 LEU CB C 41.5 0.2 1 273 46 46 LEU CD1 C 22.7 0.2 2 274 46 46 LEU CD2 C 25.7 0.2 2 275 46 46 LEU N N 115.3 0.2 1 276 47 47 LYS H H 7.21 0.01 1 277 47 47 LYS HA H 4.29 0.01 1 278 47 47 LYS HB2 H 1.93 0.01 2 279 47 47 LYS CA C 56.4 0.2 1 280 47 47 LYS N N 114.4 0.2 1 281 48 48 GLU H H 7.80 0.01 1 282 48 48 GLU HB2 H 2.29 0.01 2 283 48 48 GLU HG2 H 2.46 0.01 2 284 48 48 GLU HG3 H 2.71 0.01 2 285 48 48 GLU CG C 36.5 0.2 1 286 48 48 GLU N N 124.9 0.2 1 287 49 49 PRO HA H 4.28 0.01 1 288 49 49 PRO HB3 H 2.48 0.01 2 289 49 49 PRO HG2 H 2.16 0.01 2 290 49 49 PRO HG3 H 2.30 0.01 2 291 49 49 PRO HD2 H 4.01 0.01 2 292 49 49 PRO HD3 H 4.18 0.01 2 293 49 49 PRO CA C 66.4 0.2 1 294 49 49 PRO CB C 32.4 0.2 1 295 49 49 PRO CG C 27.7 0.2 1 296 49 49 PRO CD C 50.9 0.2 1 297 50 50 LYS H H 8.97 0.01 1 298 50 50 LYS HA H 4.23 0.01 1 299 50 50 LYS HG2 H 1.53 0.01 2 300 50 50 LYS CG C 25.3 0.2 1 301 50 50 LYS N N 117.0 0.2 1 302 51 51 MET H H 7.76 0.01 1 303 51 51 MET HA H 4.58 0.01 1 304 51 51 MET HB2 H 2.07 0.01 2 305 51 51 MET HB3 H 2.58 0.01 2 306 51 51 MET HG2 H 2.70 0.01 2 307 51 51 MET HG3 H 2.77 0.01 2 308 51 51 MET HE H 2.12 0.01 1 309 51 51 MET CA C 56.2 0.2 1 310 51 51 MET CB C 32.1 0.2 1 311 51 51 MET CG C 32.5 0.2 1 312 51 51 MET CE C 17.4 0.2 1 313 51 51 MET N N 119.4 0.2 1 314 52 52 ALA H H 8.75 0.01 1 315 52 52 ALA HA H 4.01 0.01 1 316 52 52 ALA HB H 1.55 0.01 1 317 52 52 ALA CA C 55.8 0.2 1 318 52 52 ALA CB C 18.2 0.2 1 319 52 52 ALA N N 123.7 0.2 1 320 53 53 ALA H H 7.95 0.01 1 321 53 53 ALA HA H 4.23 0.01 1 322 53 53 ALA HB H 1.57 0.01 1 323 53 53 ALA CA C 54.5 0.2 1 324 53 53 ALA N N 117.0 0.2 1 325 54 54 SER H H 7.54 0.01 1 326 54 54 SER HA H 4.62 0.01 1 327 54 54 SER HB2 H 4.01 0.01 1 328 54 54 SER HB3 H 4.01 0.01 1 329 54 54 SER CA C 59.8 0.2 1 330 54 54 SER CB C 64.1 0.2 1 331 54 54 SER N N 111.2 0.2 1 332 55 55 LEU H H 8.24 0.01 1 333 55 55 LEU HA H 4.17 0.01 1 334 55 55 LEU HB2 H 1.43 0.01 2 335 55 55 LEU HB3 H 1.83 0.01 2 336 55 55 LEU HD1 H 0.91 0.01 2 337 55 55 LEU HD2 H 0.92 0.01 2 338 55 55 LEU CA C 57.2 0.2 1 339 55 55 LEU CB C 42.4 0.2 1 340 55 55 LEU CD1 C 23.2 0.2 2 341 55 55 LEU CD2 C 26.3 0.2 2 342 55 55 LEU N N 117.4 0.2 1 343 56 56 LEU H H 7.68 0.01 1 344 56 56 LEU HB2 H 1.78 0.01 2 345 56 56 LEU HD1 H 0.85 0.01 2 346 56 56 LEU CB C 40.9 0.2 1 347 56 56 LEU CD1 C 22.9 0.2 2 348 56 56 LEU N N 114.5 0.2 1 349 57 57 ASN H H 7.03 0.01 1 350 57 57 ASN HA H 4.97 0.01 1 351 57 57 ASN HB2 H 2.95 0.01 2 352 57 57 ASN HB3 H 3.11 0.01 2 353 57 57 ASN HD21 H 7.28 0.01 2 354 57 57 ASN HD22 H 7.74 0.01 2 355 57 57 ASN N N 119.4 0.2 1 356 57 57 ASN ND2 N 112.6 0.2 1 357 58 58 PRO HA H 4.44 0.01 1 358 58 58 PRO HB2 H 1.52 0.01 2 359 58 58 PRO HB3 H 2.22 0.01 2 360 58 58 PRO HG2 H 1.44 0.01 2 361 58 58 PRO HG3 H 1.94 0.01 2 362 58 58 PRO HD2 H 3.85 0.01 2 363 58 58 PRO HD3 H 4.06 0.01 2 364 58 58 PRO CA C 64.0 0.2 1 365 58 58 PRO CB C 32.1 0.2 1 366 58 58 PRO CG C 26.5 0.2 1 367 58 58 PRO CD C 51.2 0.2 1 368 59 59 TYR H H 8.25 0.01 1 369 59 59 TYR HA H 4.67 0.01 1 370 59 59 TYR HB2 H 2.95 0.01 2 371 59 59 TYR HB3 H 3.43 0.01 2 372 59 59 TYR HD1 H 7.33 0.01 1 373 59 59 TYR HD2 H 7.33 0.01 1 374 59 59 TYR HE1 H 6.97 0.01 1 375 59 59 TYR HE2 H 6.97 0.01 1 376 59 59 TYR CA C 57.8 0.2 1 377 59 59 TYR CB C 37.6 0.2 1 378 59 59 TYR CD1 C 133.0 0.2 1 379 59 59 TYR CD2 C 133.0 0.2 1 380 59 59 TYR CE1 C 118.4 0.2 1 381 59 59 TYR CE2 C 118.4 0.2 1 382 59 59 TYR N N 116.9 0.2 1 383 60 60 VAL H H 7.06 0.01 1 384 60 60 VAL HA H 4.18 0.01 1 385 60 60 VAL HB H 2.07 0.01 1 386 60 60 VAL HG1 H 1.16 0.01 2 387 60 60 VAL HG2 H 1.18 0.01 2 388 60 60 VAL CA C 62.3 0.2 1 389 60 60 VAL CG1 C 21.1 0.2 2 390 60 60 VAL CG2 C 22.3 0.2 2 391 60 60 VAL N N 121.8 0.2 1 392 61 61 LYS H H 8.63 0.01 1 393 61 61 LYS HA H 4.31 0.01 1 394 61 61 LYS HB2 H 1.92 0.01 2 395 61 61 LYS HB3 H 2.18 0.01 2 396 61 61 LYS HG2 H 1.72 0.01 2 397 61 61 LYS HG3 H 1.78 0.01 2 398 61 61 LYS HD2 H 1.86 0.01 1 399 61 61 LYS HD3 H 1.86 0.01 1 400 61 61 LYS HE2 H 3.17 0.01 1 401 61 61 LYS HE3 H 3.17 0.01 1 402 61 61 LYS CA C 57.1 0.2 1 403 61 61 LYS CE C 42.3 0.2 1 404 61 61 LYS N N 127.1 0.2 1 405 62 62 ARG H H 8.89 0.01 1 406 62 62 ARG HA H 3.99 0.01 1 407 62 62 ARG HB2 H 2.00 0.01 2 408 62 62 ARG HB3 H 2.15 0.01 2 409 62 62 ARG HG2 H 1.77 0.01 2 410 62 62 ARG HG3 H 1.82 0.01 2 411 62 62 ARG HD2 H 3.36 0.01 1 412 62 62 ARG HD3 H 3.36 0.01 1 413 62 62 ARG CA C 60.3 0.2 1 414 62 62 ARG CD C 43.5 0.2 1 415 62 62 ARG N N 124.2 0.2 1 416 63 63 SER H H 8.65 0.01 1 417 63 63 SER HA H 4.17 0.01 1 418 63 63 SER HB2 H 3.99 0.01 1 419 63 63 SER HB3 H 3.99 0.01 1 420 63 63 SER CB C 61.8 0.2 1 421 63 63 SER N N 112.1 0.2 1 422 64 64 VAL H H 7.14 0.01 1 423 64 64 VAL HA H 3.85 0.01 1 424 64 64 VAL HB H 2.35 0.01 1 425 64 64 VAL HG1 H 1.00 0.01 2 426 64 64 VAL HG2 H 1.14 0.01 2 427 64 64 VAL CB C 31.9 0.2 1 428 64 64 VAL CG2 C 22.6 0.2 2 429 64 64 VAL N N 124.1 0.2 1 430 65 65 LYS H H 7.71 0.01 1 431 65 65 LYS HA H 3.99 0.01 1 432 65 65 LYS HB2 H 1.78 0.01 2 433 65 65 LYS CB C 32.6 0.2 1 434 65 65 LYS N N 121.6 0.2 1 435 66 66 VAL H H 8.61 0.01 1 436 66 66 VAL HA H 3.66 0.01 1 437 66 66 VAL HB H 2.15 0.01 1 438 66 66 VAL HG1 H 1.03 0.01 2 439 66 66 VAL HG2 H 1.10 0.01 2 440 66 66 VAL CG1 C 21.1 0.2 2 441 66 66 VAL CG2 C 22.5 0.2 2 442 66 66 VAL N N 117.5 0.2 1 443 67 67 LYS H H 7.67 0.01 1 444 67 67 LYS HD2 H 1.74 0.01 2 445 67 67 LYS HD3 H 1.85 0.01 2 446 67 67 LYS CD C 28.7 0.2 1 447 67 67 LYS N N 121.9 0.2 1 448 68 68 SER H H 8.25 0.01 1 449 68 68 SER HA H 4.41 0.01 1 450 68 68 SER HB2 H 3.99 0.01 2 451 68 68 SER CA C 61.9 0.2 1 452 68 68 SER CB C 63.1 0.2 1 453 68 68 SER N N 115.4 0.2 1 454 69 69 LEU H H 8.47 0.01 1 455 69 69 LEU HB2 H 1.66 0.01 2 456 69 69 LEU HG H 1.90 0.01 1 457 69 69 LEU CB C 41.7 0.2 1 458 69 69 LEU CG C 26.7 0.2 1 459 69 69 LEU N N 122.2 0.2 1 460 70 70 SER H H 8.43 0.01 1 461 70 70 SER HA H 4.40 0.01 1 462 70 70 SER CA C 61.4 0.2 1 463 70 70 SER N N 116.9 0.2 1 464 71 71 ASP H H 8.42 0.01 1 465 71 71 ASP HA H 4.53 0.01 1 466 71 71 ASP HB2 H 2.75 0.01 2 467 71 71 ASP HB3 H 2.93 0.01 2 468 71 71 ASP CA C 57.2 0.2 1 469 71 71 ASP CB C 40.3 0.2 1 470 71 71 ASP N N 122.5 0.2 1 471 72 72 MET H H 8.00 0.01 1 472 72 72 MET HA H 4.25 0.01 1 473 72 72 MET HB2 H 2.37 0.01 2 474 72 72 MET HB3 H 2.45 0.01 2 475 72 72 MET HG2 H 2.52 0.01 2 476 72 72 MET HG3 H 2.80 0.01 2 477 72 72 MET HE H 2.11 0.01 1 478 72 72 MET CG C 31.6 0.2 1 479 72 72 MET CE C 17.0 0.2 1 480 72 72 MET N N 120.3 0.2 1 481 73 73 THR H H 8.72 0.01 1 482 73 73 THR HB H 4.49 0.01 1 483 73 73 THR HG2 H 1.45 0.01 1 484 73 73 THR CB C 68.6 0.2 1 485 73 73 THR CG2 C 22.2 0.2 1 486 73 73 THR N N 112.2 0.2 1 487 74 74 ALA H H 7.83 0.01 1 488 74 74 ALA HA H 4.30 0.01 1 489 74 74 ALA HB H 1.59 0.01 1 490 74 74 ALA CA C 54.7 0.2 1 491 74 74 ALA N N 124.2 0.2 1 492 75 75 LYS H H 7.91 0.01 1 493 75 75 LYS HB2 H 1.95 0.01 2 494 75 75 LYS HB3 H 1.98 0.01 2 495 75 75 LYS HG2 H 1.47 0.01 2 496 75 75 LYS HE2 H 3.04 0.01 1 497 75 75 LYS HE3 H 3.04 0.01 1 498 75 75 LYS CB C 32.9 0.2 1 499 75 75 LYS CG C 24.9 0.2 1 500 75 75 LYS N N 118.6 0.2 1 501 76 76 GLU H H 7.85 0.01 1 502 76 76 GLU HA H 3.86 0.01 1 503 76 76 GLU HB2 H 0.62 0.01 2 504 76 76 GLU HG2 H 1.93 0.01 2 505 76 76 GLU HG3 H 2.18 0.01 2 506 76 76 GLU CA C 55.8 0.2 1 507 76 76 GLU CB C 28.6 0.2 1 508 76 76 GLU CG C 36.1 0.2 1 509 76 76 GLU N N 115.7 0.2 1 510 77 77 LYS H H 7.66 0.01 1 511 77 77 LYS HA H 4.01 0.01 1 512 77 77 LYS HG2 H 1.37 0.01 1 513 77 77 LYS HG3 H 1.37 0.01 1 514 77 77 LYS HD2 H 1.71 0.01 2 515 77 77 LYS HE2 H 3.08 0.01 1 516 77 77 LYS HE3 H 3.08 0.01 1 517 77 77 LYS CG C 24.7 0.2 1 518 77 77 LYS CD C 29.1 0.2 1 519 77 77 LYS N N 115.4 0.2 1 520 78 78 PHE H H 7.43 0.01 1 521 78 78 PHE HA H 4.90 0.01 1 522 78 78 PHE HB2 H 2.87 0.01 2 523 78 78 PHE HD1 H 7.19 0.01 1 524 78 78 PHE HD2 H 7.19 0.01 1 525 78 78 PHE HE1 H 7.26 0.01 1 526 78 78 PHE HE2 H 7.26 0.01 1 527 78 78 PHE HZ H 6.99 0.01 1 528 78 78 PHE CB C 40.0 0.2 1 529 78 78 PHE CD1 C 130.1 0.2 1 530 78 78 PHE CD2 C 130.1 0.2 1 531 78 78 PHE CE1 C 131.7 0.2 1 532 78 78 PHE CE2 C 131.7 0.2 1 533 78 78 PHE CZ C 129.7 0.2 1 534 78 78 PHE N N 117.0 0.2 1 535 79 79 SER H H 10.22 0.01 1 536 79 79 SER N N 119.2 0.2 1 537 80 80 PRO HA H 4.41 0.01 1 538 80 80 PRO HB3 H 2.48 0.01 2 539 80 80 PRO HG2 H 2.26 0.01 1 540 80 80 PRO HG3 H 2.26 0.01 1 541 80 80 PRO HD3 H 4.04 0.01 2 542 80 80 PRO CA C 65.4 0.2 1 543 80 80 PRO CB C 31.9 0.2 1 544 80 80 PRO CG C 28.1 0.2 1 545 80 80 PRO CD C 50.9 0.2 1 546 81 81 LEU H H 5.72 0.01 1 547 81 81 LEU HB2 H 1.13 0.01 2 548 81 81 LEU HD1 H 0.80 0.01 2 549 81 81 LEU HD2 H 0.82 0.01 2 550 81 81 LEU CB C 42.2 0.2 1 551 81 81 LEU CD1 C 26.2 0.2 2 552 81 81 LEU CD2 C 24.1 0.2 2 553 82 82 THR H H 7.29 0.01 1 554 82 82 THR HG2 H 0.50 0.01 1 555 82 82 THR CG2 C 23.0 0.2 1 556 82 82 THR N N 118.1 0.2 1 557 83 83 SER H H 8.57 0.01 1 558 83 83 SER HA H 3.99 0.01 1 559 83 83 SER CA C 62.7 0.2 1 560 83 83 SER N N 116.4 0.2 1 561 84 84 ASN HD21 H 6.96 0.01 2 562 84 84 ASN HD22 H 7.67 0.01 2 563 84 84 ASN ND2 N 112.5 0.2 1 564 85 85 LEU HB2 H 1.65 0.01 2 565 85 85 LEU HD1 H 0.91 0.01 2 566 85 85 LEU HD2 H 0.95 0.01 2 567 85 85 LEU CB C 40.8 0.2 1 568 85 85 LEU CD1 C 26.1 0.2 2 569 85 85 LEU CD2 C 23.5 0.2 2 570 86 86 ILE HA H 3.68 0.01 1 571 86 86 ILE HB H 2.01 0.01 1 572 86 86 ILE HG12 H 1.36 0.01 2 573 86 86 ILE HG13 H 1.54 0.01 2 574 86 86 ILE HG2 H 0.92 0.01 1 575 86 86 ILE HD1 H 0.70 0.01 1 576 86 86 ILE CA C 64.8 0.2 1 577 86 86 ILE CB C 36.8 0.2 1 578 86 86 ILE CG1 C 27.8 0.2 1 579 86 86 ILE CG2 C 18.2 0.2 1 580 86 86 ILE CD1 C 12.4 0.2 1 581 87 87 ASN H H 8.07 0.01 1 582 87 87 ASN HA H 4.44 0.01 1 583 87 87 ASN HB2 H 2.84 0.01 2 584 87 87 ASN HB3 H 2.90 0.01 2 585 87 87 ASN HD21 H 6.86 0.01 2 586 87 87 ASN HD22 H 7.66 0.01 2 587 87 87 ASN N N 117.9 0.2 1 588 87 87 ASN ND2 N 112.1 0.2 1 589 88 88 LEU H H 8.19 0.01 1 590 88 88 LEU N N 122.9 0.2 1 591 89 89 LEU HA H 3.76 0.01 1 592 89 89 LEU HB2 H 0.78 0.01 2 593 89 89 LEU HD2 H 0.77 0.01 2 594 89 89 LEU CA C 58.3 0.2 1 595 89 89 LEU CB C 41.5 0.2 1 596 89 89 LEU CD2 C 26.3 0.2 2 597 90 90 ALA HB H 1.57 0.01 1 598 90 90 ALA CB C 18.6 0.2 1 599 91 91 GLU H H 8.80 0.01 1 600 91 91 GLU HB2 H 2.16 0.01 2 601 91 91 GLU HG2 H 2.38 0.01 2 602 91 91 GLU HG3 H 2.46 0.01 2 603 91 91 GLU CG C 36.2 0.2 1 604 91 91 GLU N N 120.7 0.2 1 605 92 92 ASN H H 7.95 0.01 1 606 92 92 ASN N N 114.1 0.2 1 607 93 93 GLY H H 7.86 0.01 1 608 93 93 GLY HA2 H 4.11 0.01 2 609 93 93 GLY CA C 47.7 0.2 1 610 93 93 GLY N N 109.1 0.2 1 611 94 94 ARG H H 8.69 0.01 1 612 94 94 ARG N N 116.4 0.2 1 613 95 95 LEU H H 8.54 0.01 1 614 95 95 LEU HA H 3.94 0.01 1 615 95 95 LEU HG H 1.60 0.01 1 616 95 95 LEU CA C 58.6 0.2 1 617 95 95 LEU N N 122.7 0.2 1 618 96 96 THR H H 5.70 0.01 1 619 96 96 THR HA H 4.09 0.01 1 620 96 96 THR HB H 4.32 0.01 1 621 96 96 THR HG2 H 1.32 0.01 1 622 96 96 THR CA C 64.7 0.2 1 623 96 96 THR CB C 68.5 0.2 1 624 96 96 THR CG2 C 22.0 0.2 1 625 97 97 ASN H H 7.81 0.01 1 626 97 97 ASN HA H 5.15 0.01 1 627 97 97 ASN N N 117.1 0.2 1 628 98 98 THR H H 7.77 0.01 1 629 98 98 THR HA H 3.67 0.01 1 630 98 98 THR HB H 4.11 0.01 1 631 98 98 THR HG2 H 1.03 0.01 1 632 98 98 THR CA C 69.9 0.2 1 633 98 98 THR CB C 65.7 0.2 1 634 98 98 THR CG2 C 22.3 0.2 1 635 98 98 THR N N 116.0 0.2 1 636 99 99 PRO HA H 4.22 0.01 1 637 99 99 PRO HB3 H 2.44 0.01 2 638 99 99 PRO HD2 H 3.57 0.01 2 639 99 99 PRO HD3 H 3.80 0.01 2 640 99 99 PRO CA C 67.0 0.2 1 641 99 99 PRO CB C 30.6 0.2 1 642 99 99 PRO CD C 50.6 0.2 1 643 100 100 ALA H H 7.57 0.01 1 644 100 100 ALA HB H 1.60 0.01 1 645 100 100 ALA N N 120.0 0.2 1 646 101 101 VAL H H 7.91 0.01 1 647 101 101 VAL HA H 3.72 0.01 1 648 101 101 VAL HG2 H 1.23 0.01 2 649 101 101 VAL N N 120.9 0.2 1 650 102 102 ILE H H 8.28 0.01 1 651 102 102 ILE HA H 3.59 0.01 1 652 102 102 ILE HB H 1.99 0.01 1 653 102 102 ILE HG2 H 0.95 0.01 1 654 102 102 ILE HD1 H 0.82 0.01 1 655 102 102 ILE CB C 38.1 0.2 1 656 102 102 ILE CG2 C 16.5 0.2 1 657 102 102 ILE CD1 C 14.3 0.2 1 658 102 102 ILE N N 119.6 0.2 1 659 103 103 SER H H 8.39 0.01 1 660 103 103 SER HA H 4.30 0.01 1 661 103 103 SER CA C 61.8 0.2 1 662 103 103 SER N N 114.5 0.2 1 663 104 104 ALA H H 8.17 0.01 1 664 104 104 ALA HB H 1.50 0.01 1 665 104 104 ALA CB C 18.3 0.2 1 666 104 104 ALA N N 124.5 0.2 1 667 105 105 PHE H H 8.72 0.01 1 668 105 105 PHE HB2 H 3.03 0.01 2 669 105 105 PHE HD1 H 7.32 0.01 1 670 105 105 PHE HD2 H 7.32 0.01 1 671 105 105 PHE HE1 H 7.09 0.01 1 672 105 105 PHE HE2 H 7.09 0.01 1 673 105 105 PHE CB C 39.8 0.2 1 674 105 105 PHE CD1 C 131.9 0.2 1 675 105 105 PHE CD2 C 131.9 0.2 1 676 105 105 PHE CE1 C 130.3 0.2 1 677 105 105 PHE CE2 C 130.3 0.2 1 678 105 105 PHE N N 120.2 0.2 1 679 106 106 SER H H 9.10 0.01 1 680 106 106 SER HA H 4.21 0.01 1 681 106 106 SER HB2 H 4.29 0.01 1 682 106 106 SER HB3 H 4.29 0.01 1 683 106 106 SER CA C 62.9 0.2 1 684 106 106 SER N N 115.8 0.2 1 685 107 107 THR H H 8.42 0.01 1 686 107 107 THR HA H 4.01 0.01 1 687 107 107 THR HB H 4.44 0.01 1 688 107 107 THR HG2 H 1.23 0.01 1 689 107 107 THR CA C 67.4 0.2 1 690 107 107 THR CB C 68.3 0.2 1 691 107 107 THR CG2 C 21.6 0.2 1 692 107 107 THR N N 121.3 0.2 1 693 108 108 MET HE H 2.16 0.01 1 694 108 108 MET CE C 16.9 0.2 1 695 109 109 MET HE H 2.16 0.01 1 696 109 109 MET CE C 16.9 0.2 1 697 110 110 SER H H 8.29 0.01 1 698 110 110 SER HA H 4.30 0.01 1 699 110 110 SER CA C 62.1 0.2 1 700 110 110 SER N N 117.2 0.2 1 701 111 111 VAL H H 7.81 0.01 1 702 111 111 VAL HA H 3.92 0.01 1 703 111 111 VAL HG1 H 0.92 0.01 2 704 111 111 VAL HG2 H 1.04 0.01 2 705 111 111 VAL CA C 65.9 0.2 1 706 111 111 VAL CG2 C 21.0 0.2 2 707 111 111 VAL N N 121.6 0.2 1 708 112 112 HIS H H 8.35 0.01 1 709 112 112 HIS HE1 H 8.23 0.01 1 710 112 112 HIS CE1 C 138.0 0.2 1 711 112 112 HIS N N 121.2 0.2 1 712 113 113 ARG H H 8.17 0.01 1 713 113 113 ARG N N 116.6 0.2 1 714 114 114 GLY H H 8.05 0.01 1 715 114 114 GLY HA2 H 4.01 0.01 2 716 114 114 GLY HA3 H 4.09 0.01 2 717 114 114 GLY CA C 45.7 0.2 1 718 114 114 GLY N N 108.3 0.2 1 719 115 115 GLU H H 8.07 0.01 1 720 115 115 GLU HG2 H 2.32 0.01 1 721 115 115 GLU HG3 H 2.32 0.01 1 722 115 115 GLU CG C 36.3 0.2 1 723 115 115 GLU N N 119.7 0.2 1 724 116 116 VAL H H 7.99 0.01 1 725 116 116 VAL HA H 4.49 0.01 1 726 116 116 VAL HG1 H 0.98 0.01 2 727 116 116 VAL HG2 H 1.04 0.01 2 728 116 116 VAL CA C 59.6 0.2 1 729 116 116 VAL CG1 C 20.5 0.2 2 730 116 116 VAL N N 121.0 0.2 1 731 117 117 PRO HA H 4.53 0.01 1 732 117 117 PRO HB2 H 2.00 0.01 2 733 117 117 PRO HB3 H 2.37 0.01 2 734 117 117 PRO HD2 H 3.76 0.01 2 735 117 117 PRO HD3 H 3.92 0.01 2 736 117 117 PRO CA C 63.1 0.2 1 737 117 117 PRO CB C 32.3 0.2 1 738 117 117 PRO CD C 51.0 0.2 1 739 118 118 CYS H H 8.58 0.01 1 740 118 118 CYS HA H 4.64 0.01 1 741 118 118 CYS HB2 H 3.03 0.01 1 742 118 118 CYS HB3 H 3.03 0.01 1 743 118 118 CYS CA C 58.4 0.2 1 744 118 118 CYS CB C 28.0 0.2 1 745 118 118 CYS N N 119.9 0.2 1 746 119 119 THR H H 8.31 0.01 1 747 119 119 THR HA H 4.48 0.01 1 748 119 119 THR HB H 4.33 0.01 1 749 119 119 THR HG2 H 1.27 0.01 1 750 119 119 THR CA C 61.9 0.2 1 751 119 119 THR CB C 70.0 0.2 1 752 119 119 THR CG2 C 21.7 0.2 1 753 119 119 THR N N 117.4 0.2 1 754 120 120 VAL H H 7.82 0.01 1 755 120 120 VAL HA H 4.13 0.01 1 756 120 120 VAL HG1 H 0.96 0.01 2 757 120 120 VAL HG2 H 0.98 0.01 2 758 120 120 VAL CA C 63.8 0.2 1 759 120 120 VAL CG1 C 20.3 0.2 2 760 120 120 VAL CG2 C 21.7 0.2 2 761 120 120 VAL N N 126.4 0.2 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' 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 'alpha N-terminal 1-25' _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 1 1 GLN HA H 4.13 0.01 1 2 1 1 GLN HB2 H 2.21 0.01 1 3 1 1 GLN HB3 H 2.21 0.01 1 4 1 1 GLN HG2 H 2.51 0.01 1 5 1 1 GLN HG3 H 2.51 0.01 1 6 2 2 LYS HA H 4.50 0.01 1 7 2 2 LYS HB2 H 1.86 0.01 2 8 2 2 LYS HB3 H 1.95 0.01 2 9 2 2 LYS HG2 H 1.52 0.01 2 10 2 2 LYS HG3 H 1.56 0.01 2 11 2 2 LYS HD2 H 1.77 0.01 1 12 2 2 LYS HD3 H 1.77 0.01 1 13 2 2 LYS HE2 H 3.08 0.01 1 14 2 2 LYS HE3 H 3.08 0.01 1 15 3 3 THR H H 8.31 0.01 1 16 3 3 THR HA H 4.47 0.01 1 17 3 3 THR HB H 4.33 0.01 1 18 3 3 THR HG2 H 1.29 0.01 1 19 4 4 GLY H H 8.58 0.01 1 20 4 4 GLY HA2 H 4.13 0.01 1 21 4 4 GLY HA3 H 4.13 0.01 1 22 5 5 THR H H 8.16 0.01 1 23 5 5 THR HA H 4.42 0.01 1 24 5 5 THR HB H 4.30 0.01 1 25 5 5 THR HG2 H 1.28 0.01 1 26 6 6 ALA H H 8.40 0.01 1 27 6 6 ALA HA H 4.42 0.01 1 28 6 6 ALA HB H 1.47 0.01 1 29 7 7 GLU H H 8.40 0.01 1 30 7 7 GLU HA H 4.36 0.01 1 31 7 7 GLU HB2 H 2.00 0.01 2 32 7 7 GLU HB3 H 2.11 0.01 2 33 7 7 GLU HG2 H 2.30 0.01 2 34 7 7 GLU HG3 H 2.35 0.01 2 35 8 8 VAL H H 8.25 0.01 1 36 8 8 VAL HA H 4.24 0.01 1 37 8 8 VAL HB H 2.18 0.01 1 38 8 8 VAL HG1 H 1.02 0.01 1 39 8 8 VAL HG2 H 1.02 0.01 1 40 9 9 SER H H 8.48 0.01 1 41 9 9 SER HA H 4.57 0.01 1 42 9 9 SER HB2 H 3.93 0.01 2 43 9 9 SER HB3 H 3.96 0.01 1 44 10 10 SER H H 8.43 0.01 1 45 10 10 SER HA H 4.55 0.01 1 46 10 10 SER HB2 H 3.93 0.01 2 47 10 10 SER HB3 H 3.96 0.01 2 48 11 11 ILE H H 8.15 0.01 1 49 11 11 ILE HA H 4.23 0.01 1 50 11 11 ILE HB H 1.96 0.01 1 51 11 11 ILE HG12 H 1.26 0.01 1 52 11 11 ILE HG13 H 1.52 0.01 1 53 11 11 ILE HG2 H 0.98 0.01 1 54 11 11 ILE HD1 H 0.91 0.01 1 55 12 12 LEU H H 8.25 0.01 1 56 12 12 LEU HA H 4.37 0.01 1 57 12 12 LEU HB2 H 1.69 0.01 1 58 12 12 LEU HB3 H 1.73 0.01 1 59 12 12 LEU HD1 H 0.93 0.01 2 60 12 12 LEU HD2 H 0.99 0.01 2 61 13 13 GLU H H 8.34 0.01 1 62 13 13 GLU HA H 4.31 0.01 1 63 13 13 GLU HB2 H 2.04 0.01 2 64 13 13 GLU HB3 H 2.13 0.01 2 65 13 13 GLU HG2 H 2.30 0.01 2 66 13 13 GLU HG3 H 2.34 0.01 2 67 14 14 GLU H H 8.37 0.01 1 68 14 14 GLU HA H 4.31 0.01 1 69 14 14 GLU HB2 H 2.03 0.01 2 70 14 14 GLU HB3 H 2.12 0.01 2 71 14 14 GLU HG2 H 2.29 0.01 2 72 14 14 GLU HG3 H 2.34 0.01 2 73 15 15 ARG H H 8.35 0.01 1 74 15 15 ARG HA H 4.41 0.01 1 75 15 15 ARG HB2 H 1.86 0.01 2 76 15 15 ARG HB3 H 1.91 0.01 2 77 15 15 ARG HG2 H 1.66 0.01 2 78 15 15 ARG HG3 H 1.72 0.01 2 79 15 15 ARG HD2 H 3.27 0.01 1 80 15 15 ARG HD3 H 3.27 0.01 1 81 15 15 ARG HE H 7.32 0.01 1 82 16 16 ILE H H 8.26 0.01 1 83 16 16 ILE HA H 4.24 0.01 1 84 16 16 ILE HB H 1.96 0.01 1 85 16 16 ILE HG12 H 1.25 0.01 2 86 16 16 ILE HG13 H 1.55 0.01 2 87 16 16 ILE HG2 H 0.97 0.01 1 88 16 16 ILE HD1 H 0.92 0.01 1 89 17 17 LEU H H 8.42 0.01 1 90 17 17 LEU HA H 4.42 0.01 1 91 17 17 LEU HB2 H 1.71 0.01 1 92 17 17 LEU HB3 H 1.78 0.01 1 93 17 17 LEU HD1 H 0.94 0.01 2 94 17 17 LEU HD2 H 0.98 0.01 2 95 18 18 GLY H H 8.44 0.01 1 96 18 18 GLY HA2 H 4.03 0.01 1 97 18 18 GLY HA3 H 4.03 0.01 1 98 19 19 ALA H H 8.19 0.01 1 99 19 19 ALA HA H 4.40 0.01 1 100 19 19 ALA HB H 1.46 0.01 1 101 20 20 ASP H H 8.48 0.01 1 102 20 20 ASP HA H 4.74 0.01 1 103 20 20 ASP HB2 H 2.73 0.01 2 104 20 20 ASP HB3 H 2.83 0.01 2 105 21 21 THR H H 8.15 0.01 1 106 21 21 THR HA H 4.44 0.01 1 107 21 21 THR HB H 4.32 0.01 1 108 21 21 THR HG2 H 1.29 0.01 1 109 22 22 SER H H 8.46 0.01 1 110 22 22 SER HA H 4.55 0.01 1 111 22 22 SER HB2 H 3.96 0.01 1 112 22 22 SER HB3 H 3.96 0.01 1 113 23 23 VAL H H 8.06 0.01 1 114 23 23 VAL HA H 4.20 0.01 1 115 23 23 VAL HB H 2.15 0.01 1 116 23 23 VAL HG1 H 0.99 0.01 1 117 23 23 VAL HG2 H 0.99 0.01 1 118 24 24 ASP H H 8.39 0.01 1 119 24 24 ASP HA H 4.70 0.01 1 120 24 24 ASP HB2 H 2.66 0.01 1 121 24 24 ASP HB3 H 2.81 0.01 1 122 25 25 LEU H H 8.38 0.01 1 123 25 25 LEU HA H 4.35 0.01 1 124 25 25 LEU HB2 H 1.72 0.01 1 125 25 25 LEU HB3 H 1.77 0.01 1 126 25 25 LEU HD1 H 0.94 0.01 2 127 25 25 LEU HD2 H 1.00 0.01 2 stop_ save_