data_15877 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; LC3 p62 complex structure ; _BMRB_accession_number 15877 _BMRB_flat_file_name bmr15877.str _Entry_type original _Submission_date 2008-07-17 _Accession_date 2008-07-17 _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 Noda Nobuo . . 2 Kumeta Hiroyuki . . 3 Nakatogawa Hitoshi . . 4 Satoo Kenji . . 5 Adachi Wakana . . 6 Ishii Junko . . 7 Fujioka Yuko . . 8 Ohsumi Yoshinori . . 9 Inagaki Fuyuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 859 "13C chemical shifts" 621 "15N chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-02-26 update BMRB 'complete entry citation' 2008-11-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis of target recognition by Atg8/LC3 during selective autophagy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19021777 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Noda Nobuo N. . 2 Kumeta Hiroyuki . . 3 Nakatogawa Hitoshi . . 4 Satoo Kenji . . 5 Adachi Wakana . . 6 Ishii Junko . . 7 Fujioka Yuko . . 8 Ohsumi Yoshinori . . 9 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation 'Genes Cells' _Journal_volume 13 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1211 _Page_last 1218 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'LC3/p62 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LC3 $LC3 p62_peptide $p62_peptide 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_LC3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LC3 _Molecular_mass 16114.414 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; SMPSEKTFKQRRSFEQRVED VRLIREQHPTKIPVIIERYK GEKQLPVLDKTKFLVPDHVN MSELIKIIRRRLQLNANQAF FLLVNGHSMVSVSTPISEVY ESERDEDGFLYMVYASQETF G ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 SER 2 1 MET 3 2 PRO 4 3 SER 5 4 GLU 6 5 LYS 7 6 THR 8 7 PHE 9 8 LYS 10 9 GLN 11 10 ARG 12 11 ARG 13 12 SER 14 13 PHE 15 14 GLU 16 15 GLN 17 16 ARG 18 17 VAL 19 18 GLU 20 19 ASP 21 20 VAL 22 21 ARG 23 22 LEU 24 23 ILE 25 24 ARG 26 25 GLU 27 26 GLN 28 27 HIS 29 28 PRO 30 29 THR 31 30 LYS 32 31 ILE 33 32 PRO 34 33 VAL 35 34 ILE 36 35 ILE 37 36 GLU 38 37 ARG 39 38 TYR 40 39 LYS 41 40 GLY 42 41 GLU 43 42 LYS 44 43 GLN 45 44 LEU 46 45 PRO 47 46 VAL 48 47 LEU 49 48 ASP 50 49 LYS 51 50 THR 52 51 LYS 53 52 PHE 54 53 LEU 55 54 VAL 56 55 PRO 57 56 ASP 58 57 HIS 59 58 VAL 60 59 ASN 61 60 MET 62 61 SER 63 62 GLU 64 63 LEU 65 64 ILE 66 65 LYS 67 66 ILE 68 67 ILE 69 68 ARG 70 69 ARG 71 70 ARG 72 71 LEU 73 72 GLN 74 73 LEU 75 74 ASN 76 75 ALA 77 76 ASN 78 77 GLN 79 78 ALA 80 79 PHE 81 80 PHE 82 81 LEU 83 82 LEU 84 83 VAL 85 84 ASN 86 85 GLY 87 86 HIS 88 87 SER 89 88 MET 90 89 VAL 91 90 SER 92 91 VAL 93 92 SER 94 93 THR 95 94 PRO 96 95 ILE 97 96 SER 98 97 GLU 99 98 VAL 100 99 TYR 101 100 GLU 102 101 SER 103 102 GLU 104 103 ARG 105 104 ASP 106 105 GLU 107 106 ASP 108 107 GLY 109 108 PHE 110 109 LEU 111 110 TYR 112 111 MET 113 112 VAL 114 113 TYR 115 114 ALA 116 115 SER 117 116 GLN 118 117 GLU 119 118 THR 120 119 PHE 121 120 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 18518 entity_1 95.04 119 98.26 100.00 5.25e-76 PDB 1UGM "Crystal Structure Of Lc3" 100.00 125 100.00 100.00 2.20e-81 PDB 1V49 "Solution Structure Of Microtubule-Associated Protein Light Chain-3" 99.17 120 98.33 100.00 2.63e-80 PDB 2K6Q "Lc3 P62 Complex Structure" 100.00 121 100.00 100.00 1.26e-81 PDB 2LUE "Lc3b Optn-lir Ptot Complex Structure" 95.04 119 98.26 100.00 5.25e-76 PDB 2Z0D "The Crystal Structure Of Human Atg4b- Lc3(1-120) Complex" 100.00 125 100.00 100.00 2.20e-81 PDB 2Z0E "The Crystal Structure Of Human Atg4b- Lc3(1-124) Complex" 100.00 129 100.00 100.00 9.81e-82 PDB 2ZJD "Crystal Structure Of Lc3-P62 Complex" 100.00 130 98.35 100.00 9.60e-81 PDB 2ZZP "The Crystal Structure Of Human Atg4b(C74s)- Lc3(1-124) Complex" 100.00 129 100.00 100.00 9.81e-82 PDB 3VTU "Crystal Structure Of Human Lc3b_2-119" 98.35 123 97.48 99.16 6.16e-78 PDB 3VTV "Crystal Structure Of Optineurin Lir-fused Human Lc3b_2-119" 97.52 134 98.31 100.00 6.06e-78 PDB 3VTW "Crystal Structure Of T7-tagged Optineurin Lir-fused Human Lc3b_2-119" 97.52 149 98.31 100.00 2.47e-78 PDB 3WAO "Crystal Structure Of Atg13 Lir-fused Human Lc3b_2-119" 97.52 134 98.31 100.00 3.71e-78 PDB 3X0W "Crystal Structure Of Plekhm1 Lir-fused Human Lc3b_2-119" 97.52 134 98.31 100.00 5.04e-78 PDB 4WAA "Crystal Structure Of Nix Lir-fused Human Lc3b_2-119" 97.52 134 98.31 100.00 5.93e-78 PDB 5D94 "Crystal Structure Of Lc3-lir Peptide Complex" 100.00 130 98.35 100.00 9.60e-81 DBJ BAB15169 "unnamed protein product [Homo sapiens]" 99.17 125 98.33 100.00 2.46e-80 DBJ BAB22364 "unnamed protein product [Mus musculus]" 99.17 125 100.00 100.00 2.62e-81 DBJ BAB22569 "unnamed protein product [Mus musculus]" 99.17 125 100.00 100.00 2.62e-81 DBJ BAB22641 "unnamed protein product [Mus musculus]" 99.17 125 99.17 100.00 7.99e-81 DBJ BAB22855 "unnamed protein product [Mus musculus]" 99.17 125 100.00 100.00 2.62e-81 EMBL CAD38970 "hypothetical protein [Homo sapiens]" 99.17 125 98.33 100.00 2.46e-80 EMBL CAL38438 "hypothetical protein [synthetic construct]" 99.17 125 98.33 100.00 2.46e-80 GB AAA20645 "light chain 3 subunit of microtubule-associated proteins 1A and 1B [Rattus norvegicus]" 99.17 142 100.00 100.00 1.48e-81 GB AAG09686 "microtubule-associated proteins 1A/1B light chain 3 [Homo sapiens]" 99.17 125 98.33 100.00 2.46e-80 GB AAG23182 "microtubule-associated proteins 1A/1B light chain 3 [Homo sapiens]" 99.17 125 98.33 100.00 2.46e-80 GB AAH18634 "Microtubule-associated protein 1 light chain 3 beta [Homo sapiens]" 99.17 125 98.33 100.00 2.46e-80 GB AAH41874 "Microtubule-associated protein 1 light chain 3 beta [Homo sapiens]" 99.17 125 98.33 100.00 2.46e-80 REF NP_001001169 "microtubule-associated proteins 1A/1B light chain 3B [Bos taurus]" 99.17 125 97.50 99.17 9.01e-80 REF NP_001078950 "microtubule-associated proteins 1A/1B light chain 3 beta 2 precursor [Homo sapiens]" 99.17 125 97.50 99.17 3.27e-79 REF NP_001177219 "microtubule-associated proteins 1A/1B light chain 3B [Sus scrofa]" 99.17 125 97.50 99.17 9.01e-80 REF NP_001180554 "microtubule-associated protein 1 light chain 3 beta [Macaca mulatta]" 99.17 125 98.33 100.00 2.46e-80 REF NP_001233505 "microtubule-associated proteins 1A/1B light chain 3B [Pan troglodytes]" 99.17 125 98.33 100.00 2.46e-80 SP A6NCE7 "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3 beta 2; AltName: Full=Microtubule-associated proteins 1A/1B l" 99.17 125 97.50 99.17 3.27e-79 SP O41515 "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" 99.17 125 97.50 99.17 9.01e-80 SP Q62625 "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" 99.17 142 100.00 100.00 1.48e-81 SP Q9CQV6 "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" 99.17 125 100.00 100.00 2.62e-81 SP Q9GZQ8 "RecName: Full=Microtubule-associated proteins 1A/1B light chain 3B; AltName: Full=Autophagy-related protein LC3 B; AltName: Ful" 99.17 125 98.33 100.00 2.46e-80 TPG DAA20021 "TPA: microtubule-associated proteins 1A/1B light chain 3B [Bos taurus]" 99.17 125 97.50 99.17 9.01e-80 stop_ save_ save_p62_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p62_peptide _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 17 _Mol_residue_sequence MSGGDDDWTHLSSKEVD loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 331 MET 2 332 SER 3 333 GLY 4 334 GLY 5 335 ASP 6 336 ASP 7 337 ASP 8 338 TRP 9 339 THR 10 340 HIS 11 341 LEU 12 342 SER 13 343 SER 14 344 LYS 15 345 GLU 16 346 VAL 17 347 ASP 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 PDB 2K6Q "Lc3 P62 Complex Structure" 100.00 17 100.00 100.00 7.35e-02 DBJ BAC26183 "unnamed protein product [Mus musculus]" 94.12 404 100.00 100.00 5.96e-01 DBJ BAG35358 "unnamed protein product [Homo sapiens]" 94.12 440 100.00 100.00 5.62e-01 DBJ BAG53577 "unnamed protein product [Homo sapiens]" 94.12 356 100.00 100.00 6.14e-01 DBJ BAG65614 "unnamed protein product [Homo sapiens]" 94.12 296 100.00 100.00 5.18e-01 DBJ BAI46491 "sequestosome 1 [synthetic construct]" 94.12 440 100.00 100.00 5.62e-01 EMBL CAA69642 "PKC-zeta-interacting protein (ZIP) [Rattus norvegicus]" 94.12 439 100.00 100.00 5.95e-01 EMBL CAH90955 "hypothetical protein [Pongo abelii]" 94.12 440 100.00 100.00 5.21e-01 GB AAA93299 "p60 [Homo sapiens]" 94.12 440 100.00 100.00 5.62e-01 GB AAB02908 "STONE14 [Mus musculus]" 94.12 442 100.00 100.00 5.58e-01 GB AAB17127 "oxidative stress-induced protein [Mus musculus]" 94.12 442 100.00 100.00 5.58e-01 GB AAC50535 "phosphotyrosine independent ligand p62B for the Lck SH2 domain B-cell isoform, partial [Homo sapiens]" 94.12 420 100.00 100.00 6.30e-01 GB AAC52070 "phosphotyrosine independent ligand for the Lck SH2 domain p62 [Homo sapiens]" 94.12 440 100.00 100.00 5.62e-01 REF NP_001125548 "sequestosome-1 [Pongo abelii]" 94.12 440 100.00 100.00 5.21e-01 REF NP_001135770 "sequestosome-1 isoform 2 [Homo sapiens]" 94.12 356 100.00 100.00 6.14e-01 REF NP_001135771 "sequestosome-1 isoform 2 [Homo sapiens]" 94.12 356 100.00 100.00 6.14e-01 REF NP_001156515 "sequestosome-1 [Ovis aries]" 94.12 440 100.00 100.00 5.90e-01 REF NP_001253287 "sequestosome-1 [Macaca mulatta]" 94.12 439 100.00 100.00 6.01e-01 SP O08623 "RecName: Full=Sequestosome-1; AltName: Full=Protein kinase C-zeta-interacting protein; Short=PKC-zeta-interacting protein; AltN" 94.12 439 100.00 100.00 5.95e-01 SP Q13501 "RecName: Full=Sequestosome-1; AltName: Full=EBI3-associated protein of 60 kDa; Short=EBIAP; Short=p60; AltName: Full=Phosphotyr" 94.12 440 100.00 100.00 5.62e-01 SP Q5RBA5 "RecName: Full=Sequestosome-1; AltName: Full=Ubiquitin-binding protein p62 [Pongo abelii]" 94.12 440 100.00 100.00 5.21e-01 SP Q64337 "RecName: Full=Sequestosome-1; AltName: Full=STONE14; AltName: Full=Ubiquitin-binding protein p62 [Mus musculus]" 94.12 442 100.00 100.00 5.58e-01 TPG DAA28341 "TPA: sequestosome 1 [Bos taurus]" 94.12 440 100.00 100.00 6.07e-01 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LC3 Rat 10116 Eukaryota Metazoa Rattus norvegicus $p62_peptide Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $LC3 'recombinant technology' . Escherichia coli . pGEX6p $p62_peptide 'recombinant technology' . Escherichia coli . pGEX6p stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_LC3_p62 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LC3 0.8 mM '[U-99% 13C; U-99% 15N]' $p62_peptide 1.2 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ save_p62_LC3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $p62_peptide 0.8 mM '[U-99% 13C; U-99% 15N]' $LC3 1.2 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.110 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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 refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $LC3_p62 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $LC3_p62 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $LC3_p62 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $LC3_p62 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $LC3_p62 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $LC3_p62 save_ save_3D_HN(CA)HA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $LC3_p62 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $LC3_p62 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $LC3_p62 save_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $LC3_p62 save_ save_3D_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $LC3_p62 save_ save_2D_HbCbCgCdHd_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HbCbCgCdHd' _Sample_label $LC3_p62 save_ save_2D_HbCbHcCdCeHe_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HbCbHcCdCeHe' _Sample_label $LC3_p62 save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $p62_LC3 save_ save_2D_1H-13C_HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $p62_LC3 save_ save_3D_HNCO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $p62_LC3 save_ save_3D_HNCA_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $p62_LC3 save_ save_3D_CBCA(CO)NH_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $p62_LC3 save_ save_3D_HBHA(CO)NH_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $p62_LC3 save_ save_3D_HCCH-TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $p62_LC3 save_ save_3D_1H-15N_NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $p62_LC3 save_ save_3D_1H-13C_NOESY_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $p62_LC3 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' 125 . 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 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $LC3_p62 $p62_LC3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name LC3 _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 0 1 SER H H 8.146 0.000 1 2 0 1 SER HA H 4.462 0.000 1 3 0 1 SER HB2 H 3.830 0.000 2 4 0 1 SER HB3 H 3.830 0.000 2 5 0 1 SER C C 174.176 0.000 1 6 0 1 SER CA C 58.158 0.000 1 7 0 1 SER CB C 64.013 0.000 1 8 0 1 SER N N 115.132 0.000 1 9 1 2 MET H H 8.414 0.000 1 10 1 2 MET HA H 4.826 0.000 1 11 1 2 MET HB2 H 1.972 0.000 2 12 1 2 MET HB3 H 2.073 0.000 2 13 1 2 MET HE H 2.101 0.000 . 14 1 2 MET HG2 H 2.563 0.000 2 15 1 2 MET HG3 H 2.645 0.000 2 16 1 2 MET CA C 53.382 0.000 1 17 1 2 MET CB C 32.478 0.007 1 18 1 2 MET CE C 17.059 0.000 1 19 1 2 MET CG C 32.020 0.002 1 20 1 2 MET N N 122.882 0.000 1 21 2 3 PRO HA H 4.425 0.000 1 22 2 3 PRO HB2 H 1.929 0.000 2 23 2 3 PRO HB3 H 2.302 0.000 2 24 2 3 PRO HD2 H 3.702 0.000 2 25 2 3 PRO HD3 H 3.846 0.000 2 26 2 3 PRO HG2 H 2.001 0.000 2 27 2 3 PRO HG3 H 2.046 0.000 2 28 2 3 PRO C C 176.847 0.000 1 29 2 3 PRO CA C 63.386 0.000 1 30 2 3 PRO CB C 32.077 0.003 1 31 2 3 PRO CD C 50.679 0.000 1 32 2 3 PRO CG C 27.404 0.002 1 33 3 4 SER H H 8.347 0.000 1 34 3 4 SER HA H 4.391 0.000 1 35 3 4 SER HB2 H 3.822 0.000 2 36 3 4 SER HB3 H 3.884 0.000 2 37 3 4 SER C C 174.643 0.000 1 38 3 4 SER CA C 58.336 0.000 1 39 3 4 SER CB C 63.798 0.011 1 40 3 4 SER N N 115.234 0.000 1 41 4 5 GLU H H 8.472 0.000 1 42 4 5 GLU HA H 4.297 0.000 1 43 4 5 GLU HB2 H 1.933 0.000 2 44 4 5 GLU HB3 H 2.054 0.000 2 45 4 5 GLU HG2 H 2.232 0.000 2 46 4 5 GLU HG3 H 2.278 0.000 2 47 4 5 GLU C C 176.352 0.000 1 48 4 5 GLU CA C 56.572 0.000 1 49 4 5 GLU CB C 30.285 0.000 1 50 4 5 GLU CG C 36.296 0.004 1 51 4 5 GLU N N 123.045 0.000 1 52 5 6 LYS H H 8.214 0.000 1 53 5 6 LYS HA H 4.500 0.000 1 54 5 6 LYS HB2 H 1.703 0.000 2 55 5 6 LYS HB3 H 1.703 0.000 2 56 5 6 LYS HD2 H 1.508 0.000 2 57 5 6 LYS HD3 H 1.535 0.000 2 58 5 6 LYS HE2 H 2.928 0.000 2 59 5 6 LYS HE3 H 2.928 0.000 2 60 5 6 LYS HG2 H 1.319 0.000 2 61 5 6 LYS HG3 H 1.497 0.000 2 62 5 6 LYS C C 177.243 0.000 1 63 5 6 LYS CA C 55.943 0.000 1 64 5 6 LYS CB C 34.621 0.000 1 65 5 6 LYS CD C 29.392 0.003 1 66 5 6 LYS CE C 42.192 0.000 1 67 5 6 LYS CG C 25.582 0.001 1 68 5 6 LYS N N 121.467 0.000 1 69 6 7 THR H H 8.431 0.000 1 70 6 7 THR HA H 4.383 0.000 1 71 6 7 THR HB H 5.030 0.000 1 72 6 7 THR HG2 H 1.240 0.000 . 73 6 7 THR C C 175.360 0.000 1 74 6 7 THR CA C 61.124 0.000 1 75 6 7 THR CB C 69.863 0.000 1 76 6 7 THR CG2 C 21.836 0.000 1 77 6 7 THR N N 114.691 0.000 1 78 7 8 PHE H H 10.194 0.000 1 79 7 8 PHE HA H 3.904 0.000 1 80 7 8 PHE HB2 H 3.008 0.000 2 81 7 8 PHE HB3 H 3.008 0.000 2 82 7 8 PHE HD1 H 7.158 0.007 3 83 7 8 PHE HD2 H 7.269 0.000 3 84 7 8 PHE C C 177.000 0.000 1 85 7 8 PHE CA C 63.388 0.000 1 86 7 8 PHE CB C 39.586 0.023 1 87 7 8 PHE CD1 C 130.854 0.000 3 88 7 8 PHE N N 124.861 0.000 1 89 8 9 LYS H H 8.707 0.000 1 90 8 9 LYS HA H 3.761 0.000 1 91 8 9 LYS HB2 H 1.637 0.000 2 92 8 9 LYS HB3 H 1.680 0.000 2 93 8 9 LYS HD2 H 1.359 0.000 2 94 8 9 LYS HD3 H 1.463 0.000 2 95 8 9 LYS HE2 H 2.164 0.000 2 96 8 9 LYS HE3 H 2.680 0.000 2 97 8 9 LYS HG2 H 1.305 0.000 2 98 8 9 LYS HG3 H 1.681 0.000 2 99 8 9 LYS C C 177.496 0.000 1 100 8 9 LYS CA C 59.945 0.000 1 101 8 9 LYS CB C 33.870 0.005 1 102 8 9 LYS CD C 30.837 0.001 1 103 8 9 LYS CE C 41.694 0.001 1 104 8 9 LYS CG C 26.706 0.004 1 105 8 9 LYS N N 114.189 0.000 1 106 9 10 GLN H H 7.284 0.000 1 107 9 10 GLN HA H 4.113 0.000 1 108 9 10 GLN HB2 H 1.975 0.000 2 109 9 10 GLN HB3 H 2.269 0.000 2 110 9 10 GLN HE21 H 6.811 0.000 2 111 9 10 GLN HE22 H 7.516 0.002 2 112 9 10 GLN HG2 H 2.340 0.000 2 113 9 10 GLN HG3 H 2.340 0.000 2 114 9 10 GLN C C 177.416 0.000 1 115 9 10 GLN CA C 56.743 0.000 1 116 9 10 GLN CB C 30.002 0.020 1 117 9 10 GLN CD C 180.418 0.007 1 118 9 10 GLN CG C 34.668 0.000 1 119 9 10 GLN N N 112.843 0.000 1 120 9 10 GLN NE2 N 111.382 0.005 1 121 10 11 ARG H H 7.889 0.000 1 122 10 11 ARG HA H 4.255 0.000 1 123 10 11 ARG HB2 H 1.533 0.000 2 124 10 11 ARG HB3 H 1.831 0.000 2 125 10 11 ARG HD2 H 3.052 0.000 2 126 10 11 ARG HD3 H 3.118 0.000 2 127 10 11 ARG HG2 H 1.508 0.000 2 128 10 11 ARG HG3 H 1.615 0.000 2 129 10 11 ARG C C 175.059 0.000 1 130 10 11 ARG CA C 57.018 0.000 1 131 10 11 ARG CB C 31.628 0.019 1 132 10 11 ARG CD C 43.495 0.000 1 133 10 11 ARG CG C 27.501 0.003 1 134 10 11 ARG N N 117.567 0.000 1 135 11 12 ARG H H 7.443 0.000 1 136 11 12 ARG HA H 4.493 0.000 1 137 11 12 ARG HB2 H 0.801 0.000 2 138 11 12 ARG HB3 H 1.180 0.000 2 139 11 12 ARG HD2 H 2.719 0.000 2 140 11 12 ARG HD3 H 2.856 0.000 2 141 11 12 ARG HG2 H 1.234 0.000 2 142 11 12 ARG HG3 H 1.341 0.000 2 143 11 12 ARG CA C 54.172 0.000 1 144 11 12 ARG CB C 32.857 0.003 1 145 11 12 ARG CD C 43.945 0.004 1 146 11 12 ARG CG C 27.337 0.000 1 147 11 12 ARG N N 122.786 0.000 1 148 12 13 SER HA H 4.403 0.000 1 149 12 13 SER HB2 H 4.076 0.000 2 150 12 13 SER HB3 H 4.379 0.000 2 151 12 13 SER C C 174.222 0.000 1 152 12 13 SER CA C 58.274 0.000 1 153 12 13 SER CB C 64.821 0.002 1 154 13 14 PHE H H 9.239 0.000 1 155 13 14 PHE HA H 4.035 0.000 1 156 13 14 PHE HB2 H 3.003 0.000 2 157 13 14 PHE HB3 H 3.365 0.000 2 158 13 14 PHE HD1 H 7.321 0.000 3 159 13 14 PHE HD2 H 7.321 0.000 3 160 13 14 PHE HZ H 7.158 0.000 1 161 13 14 PHE C C 176.023 0.000 1 162 13 14 PHE CA C 62.790 0.000 1 163 13 14 PHE CB C 39.580 0.055 1 164 13 14 PHE CZ C 129.876 0.000 1 165 13 14 PHE N N 123.729 0.000 1 166 14 15 GLU H H 9.093 0.000 1 167 14 15 GLU HA H 3.813 0.000 1 168 14 15 GLU HB2 H 1.993 0.000 2 169 14 15 GLU HB3 H 2.082 0.000 2 170 14 15 GLU HG2 H 2.412 0.000 2 171 14 15 GLU HG3 H 2.546 0.000 2 172 14 15 GLU C C 179.549 0.000 1 173 14 15 GLU CA C 60.444 0.000 1 174 14 15 GLU CB C 28.804 0.003 1 175 14 15 GLU CG C 37.367 0.000 1 176 14 15 GLU N N 115.336 0.000 1 177 15 16 GLN H H 7.752 0.000 1 178 15 16 GLN HA H 4.044 0.000 1 179 15 16 GLN HB2 H 1.933 0.000 2 180 15 16 GLN HB3 H 2.246 0.000 2 181 15 16 GLN HE21 H 6.984 0.001 2 182 15 16 GLN HE22 H 7.697 0.001 2 183 15 16 GLN HG2 H 2.320 0.000 2 184 15 16 GLN HG3 H 2.391 0.000 2 185 15 16 GLN C C 177.931 0.000 1 186 15 16 GLN CA C 58.486 0.000 1 187 15 16 GLN CB C 29.393 0.009 1 188 15 16 GLN CD C 180.506 0.004 1 189 15 16 GLN CG C 34.879 0.001 1 190 15 16 GLN N N 119.145 0.000 1 191 15 16 GLN NE2 N 113.674 0.001 1 192 16 17 ARG H H 8.577 0.000 1 193 16 17 ARG HA H 4.280 0.000 1 194 16 17 ARG HB2 H 2.276 0.000 2 195 16 17 ARG HB3 H 2.276 0.000 2 196 16 17 ARG HG2 H 1.530 0.000 2 197 16 17 ARG HG3 H 1.530 0.000 2 198 16 17 ARG C C 177.128 0.000 1 199 16 17 ARG CA C 61.442 0.000 1 200 16 17 ARG N N 121.288 0.013 1 201 17 18 VAL H H 8.329 0.000 1 202 17 18 VAL HA H 3.938 0.000 1 203 17 18 VAL HB H 1.776 0.000 1 204 17 18 VAL HG1 H 0.512 0.000 . 205 17 18 VAL HG2 H 0.839 0.000 . 206 17 18 VAL C C 179.744 0.000 1 207 17 18 VAL CA C 65.441 0.000 1 208 17 18 VAL CB C 32.080 0.000 1 209 17 18 VAL CG1 C 23.081 0.000 2 210 17 18 VAL CG2 C 21.027 0.000 2 211 17 18 VAL N N 116.752 0.000 1 212 18 19 GLU H H 7.445 0.000 1 213 18 19 GLU HA H 4.270 0.000 1 214 18 19 GLU HB2 H 2.102 0.000 2 215 18 19 GLU HB3 H 2.102 0.000 2 216 18 19 GLU HG2 H 2.364 0.000 2 217 18 19 GLU HG3 H 2.364 0.000 2 218 18 19 GLU C C 177.625 0.000 1 219 18 19 GLU CA C 58.637 0.000 1 220 18 19 GLU CB C 29.398 0.000 1 221 18 19 GLU CG C 35.473 0.000 1 222 18 19 GLU N N 120.323 0.000 1 223 19 20 ASP H H 8.690 0.000 1 224 19 20 ASP HA H 4.514 0.000 1 225 19 20 ASP HB2 H 2.938 0.000 2 226 19 20 ASP HB3 H 3.692 0.000 2 227 19 20 ASP C C 179.877 0.000 1 228 19 20 ASP CA C 57.224 0.000 1 229 19 20 ASP CB C 41.487 0.009 1 230 19 20 ASP N N 120.313 0.000 1 231 20 21 VAL H H 7.731 0.000 1 232 20 21 VAL HA H 3.394 0.000 1 233 20 21 VAL HB H 1.985 0.000 1 234 20 21 VAL HG1 H 0.098 0.000 . 235 20 21 VAL HG2 H 0.762 0.000 . 236 20 21 VAL C C 176.989 0.000 1 237 20 21 VAL CA C 65.989 0.000 1 238 20 21 VAL CB C 31.291 0.000 1 239 20 21 VAL CG1 C 22.227 0.000 2 240 20 21 VAL CG2 C 21.808 0.000 2 241 20 21 VAL N N 119.119 0.000 1 242 21 22 ARG H H 8.313 0.000 1 243 21 22 ARG HA H 3.825 0.000 1 244 21 22 ARG HB2 H 1.901 0.000 2 245 21 22 ARG HB3 H 1.947 0.000 2 246 21 22 ARG HD2 H 3.069 0.000 2 247 21 22 ARG HD3 H 3.283 0.000 2 248 21 22 ARG HE H 7.941 0.000 1 249 21 22 ARG HG2 H 1.510 0.000 2 250 21 22 ARG HG3 H 1.698 0.000 2 251 21 22 ARG C C 180.178 0.000 1 252 21 22 ARG CA C 59.821 0.000 1 253 21 22 ARG CB C 30.164 0.008 1 254 21 22 ARG CD C 43.035 0.004 1 255 21 22 ARG CG C 27.235 0.011 1 256 21 22 ARG CZ C 175.501 0.000 1 257 21 22 ARG N N 120.772 0.000 1 258 21 22 ARG NE N 118.975 0.000 1 259 22 23 LEU H H 8.306 0.000 1 260 22 23 LEU HA H 4.076 0.000 1 261 22 23 LEU HB2 H 1.558 0.000 2 262 22 23 LEU HB3 H 1.913 0.000 2 263 22 23 LEU HD1 H 0.907 0.000 . 264 22 23 LEU HD2 H 0.982 0.000 . 265 22 23 LEU HG H 1.761 0.000 1 266 22 23 LEU C C 180.221 0.000 1 267 22 23 LEU CA C 57.541 0.000 1 268 22 23 LEU CB C 42.300 0.002 1 269 22 23 LEU CD1 C 23.445 0.000 2 270 22 23 LEU CD2 C 25.265 0.000 2 271 22 23 LEU CG C 27.104 0.000 1 272 22 23 LEU N N 116.413 0.000 1 273 23 24 ILE H H 7.864 0.000 1 274 23 24 ILE HA H 4.090 0.000 1 275 23 24 ILE HB H 1.520 0.000 1 276 23 24 ILE HD1 H 0.349 0.000 . 277 23 24 ILE HG12 H -0.561 0.000 2 278 23 24 ILE HG13 H 0.678 0.000 2 279 23 24 ILE HG2 H 0.632 0.000 . 280 23 24 ILE C C 177.922 0.000 1 281 23 24 ILE CA C 60.190 0.000 1 282 23 24 ILE CB C 38.072 0.000 1 283 23 24 ILE CD1 C 13.207 0.000 1 284 23 24 ILE CG1 C 30.081 0.003 1 285 23 24 ILE CG2 C 19.359 0.000 1 286 23 24 ILE N N 121.259 0.000 1 287 24 25 ARG H H 8.339 0.000 1 288 24 25 ARG HA H 3.973 0.000 1 289 24 25 ARG HB2 H 1.775 0.000 2 290 24 25 ARG HB3 H 1.925 0.000 2 291 24 25 ARG HD2 H 3.019 0.000 2 292 24 25 ARG HD3 H 3.264 0.000 2 293 24 25 ARG HE H 7.271 0.000 1 294 24 25 ARG HG2 H 1.636 0.000 2 295 24 25 ARG HG3 H 1.780 0.000 2 296 24 25 ARG C C 178.479 0.000 1 297 24 25 ARG CA C 57.337 0.000 1 298 24 25 ARG CB C 28.663 0.001 1 299 24 25 ARG CD C 42.396 0.001 1 300 24 25 ARG CG C 27.046 0.019 1 301 24 25 ARG CZ C 175.778 0.000 1 302 24 25 ARG N N 121.816 0.000 1 303 24 25 ARG NE N 119.159 0.000 1 304 25 26 GLU H H 7.133 0.000 1 305 25 26 GLU HA H 4.052 0.000 1 306 25 26 GLU HB2 H 2.100 0.000 2 307 25 26 GLU HB3 H 2.100 0.000 2 308 25 26 GLU HG2 H 2.193 0.000 2 309 25 26 GLU HG3 H 2.412 0.000 2 310 25 26 GLU C C 178.158 0.000 1 311 25 26 GLU CA C 58.367 0.000 1 312 25 26 GLU CB C 29.903 0.000 1 313 25 26 GLU CG C 36.308 0.003 1 314 25 26 GLU N N 116.794 0.000 1 315 26 27 GLN H H 7.283 0.000 1 316 26 27 GLN HA H 3.888 0.000 1 317 26 27 GLN HB2 H 1.609 0.000 2 318 26 27 GLN HB3 H 1.864 0.000 2 319 26 27 GLN HE21 H 6.764 0.000 2 320 26 27 GLN HE22 H 7.376 0.001 2 321 26 27 GLN HG2 H 2.044 0.000 2 322 26 27 GLN HG3 H 2.360 0.000 2 323 26 27 GLN C C 176.088 0.000 1 324 26 27 GLN CA C 57.676 0.000 1 325 26 27 GLN CB C 30.382 0.000 1 326 26 27 GLN CD C 179.627 0.007 1 327 26 27 GLN CG C 33.842 0.002 1 328 26 27 GLN N N 116.373 0.000 1 329 26 27 GLN NE2 N 110.778 0.001 1 330 27 28 HIS H H 8.223 0.000 1 331 27 28 HIS HA H 4.941 0.000 1 332 27 28 HIS HB2 H 2.595 0.000 2 333 27 28 HIS HB3 H 2.772 0.000 2 334 27 28 HIS HD2 H 6.544 0.003 1 335 27 28 HIS HE1 H 7.746 0.000 1 336 27 28 HIS CA C 53.278 0.000 1 337 27 28 HIS CB C 30.933 0.016 1 338 27 28 HIS CD2 C 119.479 0.000 1 339 27 28 HIS CE1 C 138.647 0.000 1 340 27 28 HIS N N 115.408 0.000 1 341 28 29 PRO HA H 4.562 0.000 1 342 28 29 PRO HB2 H 2.003 0.000 2 343 28 29 PRO HB3 H 2.449 0.000 2 344 28 29 PRO HD2 H 3.211 0.000 2 345 28 29 PRO HD3 H 3.613 0.000 2 346 28 29 PRO HG2 H 1.909 0.000 2 347 28 29 PRO HG3 H 2.019 0.000 2 348 28 29 PRO C C 178.046 0.000 1 349 28 29 PRO CA C 64.821 0.000 1 350 28 29 PRO CB C 32.447 0.005 1 351 28 29 PRO CD C 50.170 0.001 1 352 28 29 PRO CG C 27.229 0.006 1 353 29 30 THR H H 7.820 0.000 1 354 29 30 THR HA H 4.583 0.000 1 355 29 30 THR HB H 4.703 0.000 1 356 29 30 THR HG2 H 1.177 0.000 . 357 29 30 THR C C 172.723 0.000 1 358 29 30 THR CA C 60.826 0.000 1 359 29 30 THR CB C 68.641 0.000 1 360 29 30 THR CG2 C 21.282 0.000 1 361 29 30 THR N N 106.682 0.000 1 362 30 31 LYS H H 7.453 0.000 1 363 30 31 LYS HA H 4.850 0.000 1 364 30 31 LYS HB2 H 1.162 0.000 2 365 30 31 LYS HB3 H 1.500 0.000 2 366 30 31 LYS HD2 H 1.229 0.000 2 367 30 31 LYS HD3 H 1.368 0.000 2 368 30 31 LYS HE2 H 2.901 0.000 2 369 30 31 LYS HE3 H 2.901 0.000 2 370 30 31 LYS HG2 H 1.076 0.000 2 371 30 31 LYS HG3 H 1.365 0.000 2 372 30 31 LYS C C 174.296 0.000 1 373 30 31 LYS CA C 53.944 0.000 1 374 30 31 LYS CB C 36.098 0.002 1 375 30 31 LYS CD C 29.390 0.012 1 376 30 31 LYS CE C 42.284 0.000 1 377 30 31 LYS CG C 26.296 0.000 1 378 30 31 LYS N N 117.809 0.000 1 379 31 32 ILE H H 9.265 0.000 1 380 31 32 ILE HA H 4.106 0.000 1 381 31 32 ILE HB H 1.748 0.000 1 382 31 32 ILE HD1 H 0.317 0.000 . 383 31 32 ILE HG12 H 0.945 0.000 2 384 31 32 ILE HG13 H 1.264 0.000 2 385 31 32 ILE HG2 H 0.401 0.000 . 386 31 32 ILE CA C 54.606 0.000 1 387 31 32 ILE CB C 38.448 0.000 1 388 31 32 ILE CD1 C 9.904 0.000 1 389 31 32 ILE CG1 C 27.663 0.021 1 390 31 32 ILE CG2 C 16.861 0.000 1 391 31 32 ILE N N 122.497 0.000 1 392 32 33 PRO HA H 5.252 0.000 1 393 32 33 PRO HB2 H 1.703 0.000 2 394 32 33 PRO HB3 H 2.185 0.000 2 395 32 33 PRO HD2 H 3.281 0.000 2 396 32 33 PRO HD3 H 3.413 0.000 2 397 32 33 PRO HG2 H 1.626 0.000 2 398 32 33 PRO HG3 H 2.651 0.000 2 399 32 33 PRO C C 174.652 0.000 1 400 32 33 PRO CA C 61.704 0.000 1 401 32 33 PRO CB C 31.873 0.010 1 402 32 33 PRO CD C 50.377 0.001 1 403 32 33 PRO CG C 27.285 0.004 1 404 33 34 VAL H H 9.359 0.000 1 405 33 34 VAL HA H 5.298 0.000 1 406 33 34 VAL HB H 1.857 0.000 1 407 33 34 VAL HG1 H 0.883 0.000 . 408 33 34 VAL HG2 H 0.913 0.000 . 409 33 34 VAL C C 173.633 0.000 1 410 33 34 VAL CA C 59.830 0.000 1 411 33 34 VAL CB C 36.154 0.000 1 412 33 34 VAL CG1 C 23.166 0.000 2 413 33 34 VAL CG2 C 22.468 0.000 2 414 33 34 VAL N N 124.496 0.000 1 415 34 35 ILE H H 8.667 0.000 1 416 34 35 ILE HA H 4.867 0.000 1 417 34 35 ILE HB H 1.441 0.000 1 418 34 35 ILE HD1 H -1.024 0.000 . 419 34 35 ILE HG12 H -0.177 0.000 2 420 34 35 ILE HG13 H 0.384 0.000 2 421 34 35 ILE HG2 H 0.552 0.000 . 422 34 35 ILE C C 175.770 0.000 1 423 34 35 ILE CA C 56.320 0.000 1 424 34 35 ILE CB C 36.909 0.000 1 425 34 35 ILE CD1 C 8.752 0.000 1 426 34 35 ILE CG1 C 25.014 0.000 1 427 34 35 ILE CG2 C 17.013 0.000 1 428 34 35 ILE N N 127.447 0.000 1 429 35 36 ILE H H 8.422 0.000 1 430 35 36 ILE HA H 4.890 0.000 1 431 35 36 ILE HB H 1.775 0.000 1 432 35 36 ILE HD1 H 0.211 0.000 . 433 35 36 ILE HG12 H 0.809 0.000 2 434 35 36 ILE HG13 H 1.626 0.000 2 435 35 36 ILE HG2 H 0.824 0.000 . 436 35 36 ILE C C 175.098 0.000 1 437 35 36 ILE CA C 60.806 0.000 1 438 35 36 ILE CB C 39.357 0.000 1 439 35 36 ILE CD1 C 12.350 0.000 1 440 35 36 ILE CG1 C 27.800 0.003 1 441 35 36 ILE CG2 C 18.199 0.000 1 442 35 36 ILE N N 124.267 0.000 1 443 36 37 GLU H H 8.335 0.000 1 444 36 37 GLU HA H 4.820 0.000 1 445 36 37 GLU HB2 H 1.934 0.000 2 446 36 37 GLU HB3 H 2.219 0.000 2 447 36 37 GLU HG2 H 2.298 0.000 2 448 36 37 GLU HG3 H 2.298 0.000 2 449 36 37 GLU C C 173.502 0.000 1 450 36 37 GLU CA C 54.214 0.000 1 451 36 37 GLU CB C 35.547 0.001 1 452 36 37 GLU CG C 39.211 0.000 1 453 36 37 GLU N N 123.296 0.000 1 454 37 38 ARG H H 8.891 0.000 1 455 37 38 ARG HA H 2.755 0.000 1 456 37 38 ARG HB2 H 1.562 0.000 2 457 37 38 ARG HB3 H 1.807 0.000 2 458 37 38 ARG HD2 H 2.869 0.000 2 459 37 38 ARG HD3 H 3.084 0.000 2 460 37 38 ARG HE H 7.045 0.000 1 461 37 38 ARG HG2 H 1.106 0.000 2 462 37 38 ARG HG3 H 1.875 0.000 2 463 37 38 ARG C C 176.165 0.000 1 464 37 38 ARG CA C 56.235 0.000 1 465 37 38 ARG CB C 31.328 0.011 1 466 37 38 ARG CD C 44.211 0.008 1 467 37 38 ARG CG C 26.579 0.006 1 468 37 38 ARG CZ C 175.847 0.000 1 469 37 38 ARG N N 123.143 0.000 1 470 37 38 ARG NE N 119.076 0.000 1 471 38 39 TYR H H 8.681 0.000 1 472 38 39 TYR HA H 4.331 0.000 1 473 38 39 TYR HB2 H 2.771 0.000 2 474 38 39 TYR HB3 H 2.970 0.000 2 475 38 39 TYR HD1 H 7.001 0.005 3 476 38 39 TYR HD2 H 7.001 0.005 3 477 38 39 TYR HE1 H 6.617 0.001 3 478 38 39 TYR HE2 H 6.617 0.001 3 479 38 39 TYR C C 177.064 0.000 1 480 38 39 TYR CA C 57.769 0.000 1 481 38 39 TYR CB C 39.552 0.020 1 482 38 39 TYR CD1 C 133.131 0.000 3 483 38 39 TYR CE1 C 118.165 0.000 3 484 38 39 TYR N N 128.699 0.000 1 485 39 40 LYS H H 8.454 0.000 1 486 39 40 LYS HA H 3.841 0.000 1 487 39 40 LYS HB2 H 1.529 0.000 2 488 39 40 LYS HB3 H 1.646 0.000 2 489 39 40 LYS HD2 H 1.560 0.000 2 490 39 40 LYS HD3 H 1.560 0.000 2 491 39 40 LYS HE2 H 2.902 0.000 2 492 39 40 LYS HE3 H 2.902 0.000 2 493 39 40 LYS HG2 H 1.109 0.000 2 494 39 40 LYS HG3 H 1.162 0.000 2 495 39 40 LYS C C 176.290 0.000 1 496 39 40 LYS CA C 58.772 0.000 1 497 39 40 LYS CB C 31.738 0.003 1 498 39 40 LYS CD C 29.171 0.000 1 499 39 40 LYS CE C 42.001 0.000 1 500 39 40 LYS CG C 23.916 0.001 1 501 39 40 LYS N N 130.022 0.000 1 502 40 41 GLY H H 5.457 0.000 1 503 40 41 GLY HA2 H 3.306 0.000 . 504 40 41 GLY HA3 H 3.999 0.000 2 505 40 41 GLY C C 173.426 0.000 1 506 40 41 GLY CA C 44.673 0.002 1 507 40 41 GLY N N 104.628 0.000 1 508 41 42 GLU H H 7.440 0.000 1 509 41 42 GLU HA H 4.278 0.000 1 510 41 42 GLU HB2 H 2.083 0.000 2 511 41 42 GLU HB3 H 2.480 0.000 2 512 41 42 GLU HG2 H 2.272 0.000 2 513 41 42 GLU HG3 H 2.466 0.000 2 514 41 42 GLU C C 176.306 0.000 1 515 41 42 GLU CA C 56.358 0.000 1 516 41 42 GLU CB C 31.014 0.008 1 517 41 42 GLU CG C 37.351 0.009 1 518 41 42 GLU N N 122.648 0.000 1 519 42 43 LYS H H 8.912 0.000 1 520 42 43 LYS HA H 4.680 0.000 1 521 42 43 LYS HB2 H 1.725 0.000 2 522 42 43 LYS HB3 H 1.981 0.000 2 523 42 43 LYS HD2 H 1.632 0.000 2 524 42 43 LYS HD3 H 1.684 0.000 2 525 42 43 LYS HE2 H 2.965 0.000 2 526 42 43 LYS HE3 H 2.993 0.000 2 527 42 43 LYS HG2 H 1.408 0.000 2 528 42 43 LYS HG3 H 1.516 0.000 2 529 42 43 LYS C C 177.063 0.000 1 530 42 43 LYS CA C 55.652 0.000 1 531 42 43 LYS CB C 34.871 0.004 1 532 42 43 LYS CD C 28.686 0.001 1 533 42 43 LYS CE C 42.209 0.001 1 534 42 43 LYS CG C 24.434 0.000 1 535 42 43 LYS N N 123.569 0.000 1 536 43 44 GLN H H 8.446 0.000 1 537 43 44 GLN HA H 4.545 0.000 1 538 43 44 GLN HB2 H 2.203 0.000 2 539 43 44 GLN HB3 H 2.298 0.000 2 540 43 44 GLN HE21 H 6.918 0.000 2 541 43 44 GLN HE22 H 7.540 0.000 2 542 43 44 GLN HG2 H 2.401 0.000 2 543 43 44 GLN HG3 H 2.481 0.000 2 544 43 44 GLN C C 177.152 0.000 1 545 43 44 GLN CA C 57.561 0.000 1 546 43 44 GLN CB C 30.671 0.003 1 547 43 44 GLN CD C 180.024 0.008 1 548 43 44 GLN CG C 34.171 0.000 1 549 43 44 GLN N N 118.990 0.000 1 550 43 44 GLN NE2 N 111.201 0.000 1 551 44 45 LEU H H 9.043 0.000 1 552 44 45 LEU HA H 4.716 0.000 1 553 44 45 LEU HB2 H 1.711 0.000 2 554 44 45 LEU HB3 H 1.809 0.000 2 555 44 45 LEU HD1 H 1.175 0.000 . 556 44 45 LEU HD2 H 1.245 0.000 . 557 44 45 LEU HG H 2.058 0.000 1 558 44 45 LEU CA C 53.078 0.000 1 559 44 45 LEU CB C 43.614 0.004 1 560 44 45 LEU CD1 C 28.376 0.000 2 561 44 45 LEU CD2 C 24.612 0.000 2 562 44 45 LEU CG C 27.539 0.000 1 563 44 45 LEU N N 120.375 0.000 1 564 45 46 PRO HA H 4.723 0.000 1 565 45 46 PRO HB2 H 2.030 0.000 2 566 45 46 PRO HB3 H 2.447 0.000 2 567 45 46 PRO HD2 H 3.429 0.000 2 568 45 46 PRO HD3 H 4.022 0.000 2 569 45 46 PRO HG2 H 2.080 0.000 2 570 45 46 PRO HG3 H 2.193 0.000 2 571 45 46 PRO C C 175.883 0.000 1 572 45 46 PRO CA C 62.005 0.000 1 573 45 46 PRO CB C 32.609 0.006 1 574 45 46 PRO CD C 50.379 0.000 1 575 45 46 PRO CG C 27.113 0.002 1 576 46 47 VAL H H 8.437 0.000 1 577 46 47 VAL HA H 3.914 0.000 1 578 46 47 VAL HB H 2.062 0.000 1 579 46 47 VAL HG1 H 0.941 0.000 . 580 46 47 VAL HG2 H 1.000 0.000 . 581 46 47 VAL C C 175.367 0.000 1 582 46 47 VAL CA C 62.700 0.000 1 583 46 47 VAL CB C 32.927 0.000 1 584 46 47 VAL CG1 C 20.718 0.000 2 585 46 47 VAL CG2 C 21.262 0.000 2 586 46 47 VAL N N 118.440 0.000 1 587 47 48 LEU H H 7.863 0.000 1 588 47 48 LEU HA H 4.384 0.000 1 589 47 48 LEU HB2 H 1.818 0.000 2 590 47 48 LEU HB3 H 2.215 0.000 2 591 47 48 LEU HD1 H 0.959 0.000 . 592 47 48 LEU HD2 H 0.970 0.000 . 593 47 48 LEU HG H 2.149 0.000 1 594 47 48 LEU C C 176.088 0.000 1 595 47 48 LEU CA C 54.851 0.000 1 596 47 48 LEU CB C 43.841 0.000 1 597 47 48 LEU CD1 C 25.954 0.000 2 598 47 48 LEU CD2 C 24.799 0.000 2 599 47 48 LEU CG C 27.214 0.000 1 600 47 48 LEU N N 129.127 0.000 1 601 48 49 ASP H H 8.699 0.000 1 602 48 49 ASP HA H 4.293 0.000 1 603 48 49 ASP HB2 H 2.795 0.000 2 604 48 49 ASP HB3 H 2.795 0.000 2 605 48 49 ASP C C 175.121 0.000 1 606 48 49 ASP CA C 55.717 0.000 1 607 48 49 ASP CB C 40.260 0.000 1 608 48 49 ASP N N 121.389 0.000 1 609 49 50 LYS H H 7.251 0.000 1 610 49 50 LYS HA H 4.540 0.000 1 611 49 50 LYS HB2 H 1.390 0.000 2 612 49 50 LYS HB3 H 1.451 0.000 2 613 49 50 LYS HD2 H 1.474 0.000 2 614 49 50 LYS HD3 H 1.759 0.000 2 615 49 50 LYS HE2 H 2.831 0.000 2 616 49 50 LYS HE3 H 2.891 0.000 2 617 49 50 LYS HG2 H 1.239 0.000 2 618 49 50 LYS HG3 H 1.395 0.000 2 619 49 50 LYS C C 174.664 0.000 1 620 49 50 LYS CA C 53.211 0.000 1 621 49 50 LYS CB C 35.514 0.003 1 622 49 50 LYS CD C 27.689 0.001 1 623 49 50 LYS CE C 42.516 0.002 1 624 49 50 LYS CG C 24.193 0.000 1 625 49 50 LYS N N 118.260 0.000 1 626 50 51 THR H H 8.162 0.000 1 627 50 51 THR HA H 4.685 0.000 1 628 50 51 THR HB H 3.726 0.000 1 629 50 51 THR HG2 H 1.131 0.000 . 630 50 51 THR C C 171.631 0.000 1 631 50 51 THR CA C 63.581 0.000 1 632 50 51 THR CB C 71.587 0.000 1 633 50 51 THR CG2 C 22.758 0.000 1 634 50 51 THR N N 112.535 0.000 1 635 51 52 LYS H H 6.971 0.000 1 636 51 52 LYS HA H 4.443 0.000 1 637 51 52 LYS HB2 H 0.857 0.000 2 638 51 52 LYS HB3 H 0.968 0.000 2 639 51 52 LYS HD2 H 0.841 0.000 2 640 51 52 LYS HD3 H 0.873 0.000 2 641 51 52 LYS HE2 H 1.159 0.000 2 642 51 52 LYS HE3 H 1.234 0.000 2 643 51 52 LYS HG2 H 0.335 0.000 2 644 51 52 LYS HG3 H 0.645 0.000 2 645 51 52 LYS C C 175.417 0.000 1 646 51 52 LYS CA C 55.209 0.000 1 647 51 52 LYS CB C 33.309 0.002 1 648 51 52 LYS CD C 29.562 0.000 1 649 51 52 LYS CE C 40.343 0.001 1 650 51 52 LYS CG C 24.093 0.000 1 651 51 52 LYS N N 120.227 0.000 1 652 52 53 PHE H H 9.688 0.000 1 653 52 53 PHE HA H 5.675 0.000 1 654 52 53 PHE HB2 H 2.769 0.000 2 655 52 53 PHE HB3 H 2.769 0.000 2 656 52 53 PHE HD1 H 7.026 0.003 3 657 52 53 PHE HD2 H 7.026 0.003 3 658 52 53 PHE HE1 H 7.022 0.000 3 659 52 53 PHE HE2 H 7.022 0.000 3 660 52 53 PHE C C 174.348 0.000 1 661 52 53 PHE CA C 56.625 0.000 1 662 52 53 PHE CB C 43.109 0.028 1 663 52 53 PHE CD1 C 132.607 0.000 3 664 52 53 PHE N N 124.646 0.000 1 665 53 54 LEU H H 8.470 0.000 1 666 53 54 LEU HA H 5.044 0.000 1 667 53 54 LEU HB2 H 0.730 0.000 2 668 53 54 LEU HB3 H 0.880 0.000 2 669 53 54 LEU HD1 H -0.373 0.000 . 670 53 54 LEU HD2 H 0.006 0.000 . 671 53 54 LEU HG H 1.168 0.000 1 672 53 54 LEU C C 176.144 0.000 1 673 53 54 LEU CA C 52.954 0.000 1 674 53 54 LEU CB C 45.081 0.001 1 675 53 54 LEU CD1 C 24.499 0.000 2 676 53 54 LEU CD2 C 22.707 0.000 2 677 53 54 LEU CG C 26.136 0.000 1 678 53 54 LEU N N 119.430 0.000 1 679 54 55 VAL H H 8.802 0.000 1 680 54 55 VAL HA H 4.640 0.000 1 681 54 55 VAL HB H 1.886 0.000 1 682 54 55 VAL HG1 H 0.823 0.000 . 683 54 55 VAL HG2 H 0.938 0.000 . 684 54 55 VAL CA C 58.549 0.000 1 685 54 55 VAL CB C 35.342 0.000 1 686 54 55 VAL CG1 C 22.247 0.000 2 687 54 55 VAL CG2 C 21.408 0.000 2 688 54 55 VAL N N 123.841 0.000 1 689 55 56 PRO HA H 4.439 0.000 1 690 55 56 PRO HB2 H 1.638 0.000 2 691 55 56 PRO HB3 H 2.600 0.000 2 692 55 56 PRO HD2 H 3.307 0.000 2 693 55 56 PRO HD3 H 4.198 0.000 2 694 55 56 PRO HG2 H 1.945 0.000 2 695 55 56 PRO HG3 H 2.197 0.000 2 696 55 56 PRO C C 176.666 0.000 1 697 55 56 PRO CA C 64.256 0.000 1 698 55 56 PRO CB C 32.783 0.002 1 699 55 56 PRO CD C 51.692 0.005 1 700 55 56 PRO CG C 28.685 0.004 1 701 56 57 ASP H H 8.412 0.000 1 702 56 57 ASP HA H 3.848 0.000 1 703 56 57 ASP HB2 H 2.458 0.000 2 704 56 57 ASP HB3 H 2.732 0.000 2 705 56 57 ASP C C 175.417 0.000 1 706 56 57 ASP CA C 56.616 0.000 1 707 56 57 ASP CB C 40.410 0.007 1 708 56 57 ASP N N 120.415 0.000 1 709 57 58 HIS H H 7.373 0.000 1 710 57 58 HIS HA H 4.770 0.000 1 711 57 58 HIS HB2 H 3.017 0.000 2 712 57 58 HIS HB3 H 3.388 0.000 2 713 57 58 HIS HD2 H 7.071 0.005 1 714 57 58 HIS HE1 H 7.817 0.000 1 715 57 58 HIS C C 176.594 0.000 1 716 57 58 HIS CA C 55.584 0.000 1 717 57 58 HIS CB C 30.628 0.100 1 718 57 58 HIS CD2 C 120.573 0.000 1 719 57 58 HIS CE1 C 139.076 0.000 1 720 57 58 HIS N N 113.439 0.000 1 721 58 59 VAL H H 7.249 0.000 1 722 58 59 VAL HA H 3.903 0.000 1 723 58 59 VAL HB H 2.000 0.000 1 724 58 59 VAL HG1 H 0.651 0.000 . 725 58 59 VAL HG2 H 0.739 0.000 . 726 58 59 VAL C C 175.014 0.000 1 727 58 59 VAL CA C 62.726 0.000 1 728 58 59 VAL CB C 32.190 0.000 1 729 58 59 VAL CG1 C 22.215 0.000 2 730 58 59 VAL CG2 C 21.365 0.000 2 731 58 59 VAL N N 122.597 0.000 1 732 59 60 ASN H H 8.677 0.000 1 733 59 60 ASN HA H 5.187 0.000 1 734 59 60 ASN HB2 H 2.648 0.000 2 735 59 60 ASN HB3 H 2.867 0.000 2 736 59 60 ASN HD21 H 6.939 0.002 2 737 59 60 ASN HD22 H 7.473 0.001 2 738 59 60 ASN C C 176.477 0.000 1 739 59 60 ASN CA C 51.181 0.000 1 740 59 60 ASN CB C 39.947 0.003 1 741 59 60 ASN CG C 175.725 0.007 1 742 59 60 ASN N N 122.962 0.000 1 743 59 60 ASN ND2 N 111.400 0.001 1 744 60 61 MET H H 8.038 0.000 1 745 60 61 MET HA H 4.426 0.000 1 746 60 61 MET HB2 H 2.054 0.000 2 747 60 61 MET HB3 H 2.291 0.000 2 748 60 61 MET HE H 1.965 0.000 . 749 60 61 MET HG2 H 2.730 0.000 2 750 60 61 MET HG3 H 2.810 0.000 2 751 60 61 MET C C 177.996 0.000 1 752 60 61 MET CA C 57.118 0.000 1 753 60 61 MET CB C 29.998 0.004 1 754 60 61 MET CE C 16.186 0.000 1 755 60 61 MET CG C 32.258 0.000 1 756 60 61 MET N N 116.814 0.000 1 757 61 62 SER H H 8.401 0.000 1 758 61 62 SER HA H 4.132 0.000 1 759 61 62 SER HB2 H 3.903 0.000 2 760 61 62 SER HB3 H 3.903 0.000 2 761 61 62 SER C C 177.255 0.000 1 762 61 62 SER CA C 61.559 0.000 1 763 61 62 SER CB C 62.430 0.000 1 764 61 62 SER N N 114.109 0.000 1 765 62 63 GLU H H 8.014 0.000 1 766 62 63 GLU HA H 4.016 0.000 1 767 62 63 GLU HB2 H 1.929 0.000 2 768 62 63 GLU HB3 H 2.328 0.000 2 769 62 63 GLU HG2 H 2.275 0.000 2 770 62 63 GLU HG3 H 2.410 0.000 2 771 62 63 GLU C C 178.327 0.000 1 772 62 63 GLU CA C 58.787 0.000 1 773 62 63 GLU CB C 29.814 0.003 1 774 62 63 GLU CG C 36.451 0.008 1 775 62 63 GLU N N 122.806 0.000 1 776 63 64 LEU H H 8.254 0.000 1 777 63 64 LEU HA H 3.932 0.000 1 778 63 64 LEU HB2 H 1.206 0.000 2 779 63 64 LEU HB3 H 2.100 0.000 2 780 63 64 LEU HD1 H 0.661 0.000 . 781 63 64 LEU HD2 H 0.774 0.000 . 782 63 64 LEU HG H 1.393 0.000 1 783 63 64 LEU C C 178.029 0.000 1 784 63 64 LEU CA C 57.986 0.000 1 785 63 64 LEU CB C 41.377 0.003 1 786 63 64 LEU CD1 C 23.844 0.000 2 787 63 64 LEU CD2 C 26.697 0.000 2 788 63 64 LEU CG C 27.020 0.000 1 789 63 64 LEU N N 120.526 0.000 1 790 64 65 ILE H H 8.415 0.000 1 791 64 65 ILE HA H 3.377 0.000 1 792 64 65 ILE HB H 1.995 0.000 1 793 64 65 ILE HD1 H 1.002 0.000 . 794 64 65 ILE HG12 H 1.016 0.000 2 795 64 65 ILE HG13 H 1.955 0.000 2 796 64 65 ILE HG2 H 0.938 0.000 . 797 64 65 ILE C C 177.078 0.000 1 798 64 65 ILE CA C 66.699 0.000 1 799 64 65 ILE CB C 38.128 0.000 1 800 64 65 ILE CD1 C 14.042 0.000 1 801 64 65 ILE CG1 C 31.761 0.008 1 802 64 65 ILE CG2 C 17.318 0.000 1 803 64 65 ILE N N 118.349 0.000 1 804 65 66 LYS H H 7.366 0.000 1 805 65 66 LYS HA H 3.696 0.000 1 806 65 66 LYS HB2 H 1.905 0.000 2 807 65 66 LYS HB3 H 1.994 0.000 2 808 65 66 LYS HD2 H 1.684 0.000 2 809 65 66 LYS HD3 H 1.684 0.000 2 810 65 66 LYS HE2 H 2.914 0.000 2 811 65 66 LYS HE3 H 2.914 0.000 2 812 65 66 LYS HG2 H 1.358 0.000 2 813 65 66 LYS HG3 H 1.663 0.000 2 814 65 66 LYS C C 179.260 0.000 1 815 65 66 LYS CA C 60.593 0.000 1 816 65 66 LYS CB C 32.421 0.012 1 817 65 66 LYS CD C 29.674 0.000 1 818 65 66 LYS CE C 42.005 0.000 1 819 65 66 LYS CG C 25.672 0.001 1 820 65 66 LYS N N 118.334 0.000 1 821 66 67 ILE H H 8.179 0.000 1 822 66 67 ILE HA H 3.546 0.000 1 823 66 67 ILE HB H 1.961 0.000 1 824 66 67 ILE HD1 H 0.658 0.000 . 825 66 67 ILE HG12 H 0.937 0.000 2 826 66 67 ILE HG13 H 1.909 0.000 2 827 66 67 ILE HG2 H 0.838 0.000 . 828 66 67 ILE C C 178.784 0.000 1 829 66 67 ILE CA C 65.488 0.000 1 830 66 67 ILE CB C 38.593 0.000 1 831 66 67 ILE CD1 C 13.531 0.000 1 832 66 67 ILE CG1 C 28.930 0.002 1 833 66 67 ILE CG2 C 18.175 0.000 1 834 66 67 ILE N N 119.791 0.000 1 835 67 68 ILE H H 8.279 0.000 1 836 67 68 ILE HA H 3.391 0.000 1 837 67 68 ILE HB H 1.730 0.000 1 838 67 68 ILE HD1 H 0.276 0.000 . 839 67 68 ILE HG12 H 1.132 0.000 2 840 67 68 ILE HG13 H 1.305 0.000 2 841 67 68 ILE HG2 H 0.537 0.000 . 842 67 68 ILE C C 177.403 0.000 1 843 67 68 ILE CA C 63.144 0.000 1 844 67 68 ILE CB C 35.269 0.000 1 845 67 68 ILE CD1 C 10.141 0.000 1 846 67 68 ILE CG1 C 27.136 0.005 1 847 67 68 ILE CG2 C 18.876 0.000 1 848 67 68 ILE N N 120.267 0.000 1 849 68 69 ARG H H 8.454 0.000 1 850 68 69 ARG HA H 2.966 0.000 1 851 68 69 ARG HB2 H 1.549 0.000 2 852 68 69 ARG HB3 H 1.549 0.000 2 853 68 69 ARG HD2 H 2.769 0.000 2 854 68 69 ARG HD3 H 3.206 0.000 2 855 68 69 ARG HG2 H 0.546 0.000 2 856 68 69 ARG HG3 H 1.280 0.000 2 857 68 69 ARG C C 178.385 0.000 1 858 68 69 ARG CA C 60.642 0.000 1 859 68 69 ARG CB C 30.442 0.000 1 860 68 69 ARG CD C 43.308 0.019 1 861 68 69 ARG CG C 28.835 0.001 1 862 68 69 ARG N N 118.881 0.000 1 863 69 70 ARG H H 7.492 0.000 1 864 69 70 ARG HA H 4.164 0.000 1 865 69 70 ARG HB2 H 1.853 0.000 2 866 69 70 ARG HB3 H 1.918 0.000 2 867 69 70 ARG HD2 H 3.192 0.000 2 868 69 70 ARG HD3 H 3.192 0.000 2 869 69 70 ARG HE H 6.936 0.000 1 870 69 70 ARG HG2 H 1.611 0.000 2 871 69 70 ARG HG3 H 1.693 0.000 2 872 69 70 ARG C C 180.253 0.000 1 873 69 70 ARG CA C 58.510 0.000 1 874 69 70 ARG CB C 29.587 0.002 1 875 69 70 ARG CD C 43.297 0.000 1 876 69 70 ARG CG C 27.377 0.004 1 877 69 70 ARG CZ C 175.209 0.000 1 878 69 70 ARG N N 116.411 0.000 1 879 69 70 ARG NE N 121.894 0.000 1 880 70 71 ARG H H 8.086 0.000 1 881 70 71 ARG HA H 4.025 0.000 1 882 70 71 ARG HB2 H 1.782 0.000 2 883 70 71 ARG HB3 H 1.782 0.000 2 884 70 71 ARG HD2 H 2.934 0.000 2 885 70 71 ARG HD3 H 3.084 0.000 2 886 70 71 ARG HG2 H 1.674 0.000 2 887 70 71 ARG HG3 H 1.777 0.000 2 888 70 71 ARG C C 178.558 0.000 1 889 70 71 ARG CA C 59.428 0.000 1 890 70 71 ARG CB C 30.235 0.000 1 891 70 71 ARG CD C 43.068 0.001 1 892 70 71 ARG CG C 29.514 0.003 1 893 70 71 ARG N N 122.779 0.000 1 894 71 72 LEU H H 7.755 0.000 1 895 71 72 LEU HA H 4.081 0.000 1 896 71 72 LEU HB2 H 1.328 0.000 2 897 71 72 LEU HB3 H 1.523 0.000 2 898 71 72 LEU HD1 H 0.301 0.000 . 899 71 72 LEU HD2 H 0.677 0.000 . 900 71 72 LEU HG H 1.423 0.000 1 901 71 72 LEU C C 174.852 0.000 1 902 71 72 LEU CA C 55.060 0.000 1 903 71 72 LEU CB C 43.109 0.000 1 904 71 72 LEU CD1 C 27.348 0.000 2 905 71 72 LEU CD2 C 23.293 0.000 2 906 71 72 LEU CG C 26.237 0.000 1 907 71 72 LEU N N 116.551 0.000 1 908 72 73 GLN H H 7.740 0.000 1 909 72 73 GLN HA H 3.853 0.000 1 910 72 73 GLN HB2 H 2.171 0.000 2 911 72 73 GLN HB3 H 2.232 0.000 2 912 72 73 GLN HE21 H 6.819 0.000 2 913 72 73 GLN HE22 H 7.563 0.000 2 914 72 73 GLN HG2 H 2.241 0.000 2 915 72 73 GLN HG3 H 2.241 0.000 2 916 72 73 GLN C C 175.619 0.000 1 917 72 73 GLN CA C 56.273 0.000 1 918 72 73 GLN CB C 25.939 0.003 1 919 72 73 GLN CD C 181.421 0.011 1 920 72 73 GLN CG C 34.286 0.000 1 921 72 73 GLN N N 114.737 0.000 1 922 72 73 GLN NE2 N 112.127 0.005 1 923 73 74 LEU H H 7.525 0.000 1 924 73 74 LEU HA H 4.242 0.000 1 925 73 74 LEU HB2 H 1.321 0.000 2 926 73 74 LEU HB3 H 1.321 0.000 2 927 73 74 LEU HD1 H 0.535 0.000 . 928 73 74 LEU HD2 H 0.686 0.000 . 929 73 74 LEU HG H 1.613 0.000 1 930 73 74 LEU C C 178.611 0.000 1 931 73 74 LEU CA C 54.382 0.000 1 932 73 74 LEU CB C 41.995 0.000 1 933 73 74 LEU CD1 C 26.378 0.000 2 934 73 74 LEU CD2 C 22.600 0.000 2 935 73 74 LEU CG C 25.926 0.000 1 936 73 74 LEU N N 114.861 0.000 1 937 74 75 ASN H H 8.970 0.000 1 938 74 75 ASN HA H 4.694 0.000 1 939 74 75 ASN HB2 H 2.810 0.000 2 940 74 75 ASN HB3 H 2.909 0.000 2 941 74 75 ASN HD21 H 7.043 0.000 2 942 74 75 ASN HD22 H 7.723 0.001 2 943 74 75 ASN C C 176.527 0.000 1 944 74 75 ASN CA C 52.686 0.000 1 945 74 75 ASN CB C 39.583 0.002 1 946 74 75 ASN CG C 176.348 0.024 1 947 74 75 ASN N N 121.274 0.000 1 948 74 75 ASN ND2 N 114.061 0.001 1 949 75 76 ALA H H 8.697 0.000 1 950 75 76 ALA HA H 3.966 0.000 1 951 75 76 ALA HB H 1.368 0.000 . 952 75 76 ALA C C 178.002 0.000 1 953 75 76 ALA CA C 54.797 0.000 1 954 75 76 ALA CB C 18.669 0.000 1 955 75 76 ALA N N 123.590 0.000 1 956 76 77 ASN H H 8.344 0.000 1 957 76 77 ASN HA H 4.585 0.000 1 958 76 77 ASN HB2 H 2.836 0.000 2 959 76 77 ASN HB3 H 2.836 0.000 2 960 76 77 ASN HD21 H 6.873 0.003 2 961 76 77 ASN HD22 H 7.562 0.000 2 962 76 77 ASN C C 175.371 0.000 1 963 76 77 ASN CA C 53.183 0.000 1 964 76 77 ASN CB C 38.277 0.000 1 965 76 77 ASN CG C 177.281 0.006 1 966 76 77 ASN N N 112.004 0.000 1 967 76 77 ASN ND2 N 112.197 0.006 1 968 77 78 GLN H H 7.532 0.000 1 969 77 78 GLN HA H 4.281 0.000 1 970 77 78 GLN HB2 H 1.998 0.000 2 971 77 78 GLN HB3 H 2.172 0.000 2 972 77 78 GLN HE21 H 7.323 0.003 2 973 77 78 GLN HE22 H 8.253 0.001 2 974 77 78 GLN HG2 H 2.328 0.000 2 975 77 78 GLN HG3 H 2.399 0.000 2 976 77 78 GLN C C 175.001 0.000 1 977 77 78 GLN CA C 55.875 0.000 1 978 77 78 GLN CB C 30.227 0.004 1 979 77 78 GLN CD C 179.926 0.016 1 980 77 78 GLN CG C 35.072 0.005 1 981 77 78 GLN N N 120.237 0.000 1 982 77 78 GLN NE2 N 114.591 0.000 1 983 78 79 ALA H H 8.732 0.000 1 984 78 79 ALA HA H 4.183 0.000 1 985 78 79 ALA HB H 1.537 0.000 . 986 78 79 ALA C C 176.367 0.000 1 987 78 79 ALA CA C 52.798 0.000 1 988 78 79 ALA CB C 20.051 0.000 1 989 78 79 ALA N N 130.399 0.000 1 990 79 80 PHE H H 7.603 0.000 1 991 79 80 PHE HA H 4.449 0.000 1 992 79 80 PHE HB2 H 2.585 0.000 2 993 79 80 PHE HB3 H 2.744 0.000 2 994 79 80 PHE HD1 H 6.912 0.003 3 995 79 80 PHE HD2 H 6.912 0.003 3 996 79 80 PHE HE1 H 6.767 0.001 3 997 79 80 PHE HE2 H 6.767 0.001 3 998 79 80 PHE HZ H 6.577 0.000 1 999 79 80 PHE C C 171.709 0.000 1 1000 79 80 PHE CA C 59.101 0.000 1 1001 79 80 PHE CB C 42.282 0.019 1 1002 79 80 PHE CD1 C 131.330 0.000 3 1003 79 80 PHE CE1 C 130.343 0.000 3 1004 79 80 PHE CZ C 128.805 0.000 1 1005 79 80 PHE N N 118.988 0.000 1 1006 80 81 PHE H H 8.507 0.000 1 1007 80 81 PHE HA H 4.421 0.000 1 1008 80 81 PHE HB2 H 2.405 0.000 2 1009 80 81 PHE HB3 H 2.782 0.000 2 1010 80 81 PHE HD1 H 6.939 0.004 3 1011 80 81 PHE HD2 H 6.939 0.004 3 1012 80 81 PHE HE1 H 7.212 0.002 3 1013 80 81 PHE HE2 H 7.212 0.002 3 1014 80 81 PHE HZ H 7.273 0.000 1 1015 80 81 PHE C C 172.644 0.000 1 1016 80 81 PHE CA C 56.711 0.000 1 1017 80 81 PHE CB C 41.880 0.030 1 1018 80 81 PHE CD1 C 132.126 0.000 3 1019 80 81 PHE CE1 C 130.984 0.000 3 1020 80 81 PHE CZ C 129.603 0.000 1 1021 80 81 PHE N N 126.042 0.000 1 1022 81 82 LEU H H 8.199 0.000 1 1023 81 82 LEU HA H 4.883 0.000 1 1024 81 82 LEU HB2 H 1.264 0.000 2 1025 81 82 LEU HB3 H 1.681 0.000 2 1026 81 82 LEU HD1 H 0.857 0.000 . 1027 81 82 LEU HD2 H 0.884 0.000 . 1028 81 82 LEU HG H 1.492 0.000 1 1029 81 82 LEU C C 174.440 0.000 1 1030 81 82 LEU CA C 53.153 0.000 1 1031 81 82 LEU CB C 45.520 0.000 1 1032 81 82 LEU CD1 C 26.038 0.000 2 1033 81 82 LEU CD2 C 24.914 0.000 2 1034 81 82 LEU CG C 26.962 0.000 1 1035 81 82 LEU N N 121.512 0.000 1 1036 82 83 LEU H H 9.349 0.000 1 1037 82 83 LEU HA H 4.810 0.000 1 1038 82 83 LEU HB2 H 1.012 0.000 2 1039 82 83 LEU HB3 H 1.527 0.000 2 1040 82 83 LEU HD1 H 0.503 0.000 . 1041 82 83 LEU HD2 H 0.541 0.000 . 1042 82 83 LEU HG H 1.270 0.000 1 1043 82 83 LEU C C 177.075 0.000 1 1044 82 83 LEU CA C 54.122 0.000 1 1045 82 83 LEU CB C 43.394 0.001 1 1046 82 83 LEU CD1 C 24.511 0.000 2 1047 82 83 LEU CD2 C 24.795 0.000 2 1048 82 83 LEU CG C 27.802 0.000 1 1049 82 83 LEU N N 125.253 0.000 1 1050 83 84 VAL H H 8.681 0.000 1 1051 83 84 VAL HA H 4.411 0.000 1 1052 83 84 VAL HB H 2.035 0.000 1 1053 83 84 VAL HG1 H 0.965 0.000 . 1054 83 84 VAL HG2 H 1.003 0.000 . 1055 83 84 VAL C C 175.797 0.000 1 1056 83 84 VAL CA C 61.630 0.000 1 1057 83 84 VAL CB C 33.647 0.000 1 1058 83 84 VAL CG1 C 21.738 0.000 2 1059 83 84 VAL CG2 C 21.913 0.000 2 1060 83 84 VAL N N 123.543 0.000 1 1061 84 85 ASN H H 9.622 0.000 1 1062 84 85 ASN HA H 4.399 0.000 1 1063 84 85 ASN HB2 H 2.901 0.000 2 1064 84 85 ASN HB3 H 3.252 0.000 2 1065 84 85 ASN HD21 H 7.165 0.000 2 1066 84 85 ASN HD22 H 8.553 0.001 2 1067 84 85 ASN C C 175.042 0.000 1 1068 84 85 ASN CA C 54.610 0.000 1 1069 84 85 ASN CB C 37.927 0.004 1 1070 84 85 ASN CG C 178.387 0.008 1 1071 84 85 ASN N N 125.848 0.000 1 1072 84 85 ASN ND2 N 115.710 0.001 1 1073 85 86 GLY H H 8.551 0.000 1 1074 85 86 GLY HA2 H 3.368 0.000 . 1075 85 86 GLY HA3 H 4.064 0.000 2 1076 85 86 GLY C C 173.524 0.000 1 1077 85 86 GLY CA C 45.588 0.004 1 1078 85 86 GLY N N 101.093 0.000 1 1079 86 87 HIS H H 7.906 0.000 1 1080 86 87 HIS HA H 5.003 0.000 1 1081 86 87 HIS HB2 H 3.181 0.000 2 1082 86 87 HIS HB3 H 3.287 0.000 2 1083 86 87 HIS HD2 H 7.211 0.002 1 1084 86 87 HIS HE1 H 8.287 0.000 1 1085 86 87 HIS C C 173.910 0.000 1 1086 86 87 HIS CA C 54.213 0.000 1 1087 86 87 HIS CB C 31.482 0.030 1 1088 86 87 HIS CD2 C 121.174 0.000 1 1089 86 87 HIS CE1 C 136.845 0.000 1 1090 86 87 HIS N N 117.253 0.000 1 1091 87 88 SER H H 8.846 0.000 1 1092 87 88 SER HA H 4.702 0.000 1 1093 87 88 SER HB2 H 3.870 0.000 2 1094 87 88 SER HB3 H 3.870 0.000 2 1095 87 88 SER C C 175.739 0.000 1 1096 87 88 SER CA C 58.245 0.000 1 1097 87 88 SER CB C 63.764 0.000 1 1098 87 88 SER N N 117.469 0.000 1 1099 88 89 MET H H 9.174 0.000 1 1100 88 89 MET HA H 4.820 0.000 1 1101 88 89 MET HB2 H 2.035 0.000 2 1102 88 89 MET HB3 H 2.156 0.000 2 1103 88 89 MET HE H 2.139 0.000 . 1104 88 89 MET HG2 H 2.622 0.000 2 1105 88 89 MET HG3 H 2.622 0.000 2 1106 88 89 MET C C 176.294 0.000 1 1107 88 89 MET CA C 54.853 0.000 1 1108 88 89 MET CB C 33.183 0.005 1 1109 88 89 MET CE C 18.057 0.000 1 1110 88 89 MET CG C 32.633 0.000 1 1111 88 89 MET N N 125.111 0.000 1 1112 89 90 VAL H H 8.217 0.000 1 1113 89 90 VAL HA H 4.063 0.000 1 1114 89 90 VAL HB H 2.188 0.000 1 1115 89 90 VAL HG1 H 1.046 0.000 . 1116 89 90 VAL HG2 H 1.057 0.000 . 1117 89 90 VAL C C 176.249 0.000 1 1118 89 90 VAL CA C 63.377 0.000 1 1119 89 90 VAL CB C 32.473 0.000 1 1120 89 90 VAL CG1 C 21.233 0.000 2 1121 89 90 VAL CG2 C 21.189 0.000 2 1122 89 90 VAL N N 120.477 0.000 1 1123 90 91 SER H H 8.356 0.000 1 1124 90 91 SER HA H 4.614 0.000 1 1125 90 91 SER HB2 H 3.894 0.000 2 1126 90 91 SER HB3 H 4.009 0.000 2 1127 90 91 SER C C 175.841 0.000 1 1128 90 91 SER CA C 57.860 0.000 1 1129 90 91 SER CB C 63.398 0.008 1 1130 90 91 SER N N 116.676 0.000 1 1131 91 92 VAL H H 8.158 0.000 1 1132 91 92 VAL HA H 4.245 0.000 1 1133 91 92 VAL HB H 2.284 0.000 1 1134 91 92 VAL HG1 H 1.020 0.000 . 1135 91 92 VAL HG2 H 1.062 0.000 . 1136 91 92 VAL C C 175.856 0.000 1 1137 91 92 VAL CA C 63.121 0.000 1 1138 91 92 VAL CB C 31.872 0.000 1 1139 91 92 VAL CG1 C 19.328 0.000 2 1140 91 92 VAL CG2 C 21.527 0.000 2 1141 91 92 VAL N N 119.994 0.000 1 1142 92 93 SER H H 8.368 0.000 1 1143 92 93 SER HA H 4.581 0.000 1 1144 92 93 SER HB2 H 3.933 0.000 2 1145 92 93 SER HB3 H 3.970 0.000 2 1146 92 93 SER C C 174.154 0.000 1 1147 92 93 SER CA C 57.706 0.000 1 1148 92 93 SER CB C 63.126 0.001 1 1149 92 93 SER N N 116.504 0.000 1 1150 93 94 THR H H 7.427 0.000 1 1151 93 94 THR HA H 4.464 0.000 1 1152 93 94 THR HB H 3.853 0.000 1 1153 93 94 THR HG2 H 1.413 0.000 . 1154 93 94 THR CA C 61.032 0.000 1 1155 93 94 THR CB C 70.505 0.000 1 1156 93 94 THR CG2 C 22.044 0.000 1 1157 93 94 THR N N 119.172 0.000 1 1158 94 95 PRO HA H 4.426 0.000 1 1159 94 95 PRO HB2 H 2.130 0.000 2 1160 94 95 PRO HB3 H 2.474 0.000 2 1161 94 95 PRO HD2 H 3.816 0.000 2 1162 94 95 PRO HD3 H 4.095 0.000 2 1163 94 95 PRO HG2 H 2.124 0.000 2 1164 94 95 PRO HG3 H 2.175 0.000 2 1165 94 95 PRO C C 178.692 0.000 1 1166 94 95 PRO CA C 62.921 0.000 1 1167 94 95 PRO CB C 32.774 0.006 1 1168 94 95 PRO CD C 51.558 0.004 1 1169 94 95 PRO CG C 28.014 0.000 1 1170 95 96 ILE H H 9.324 0.000 1 1171 95 96 ILE HA H 3.956 0.000 1 1172 95 96 ILE HB H 1.749 0.000 1 1173 95 96 ILE HD1 H 0.685 0.000 . 1174 95 96 ILE HG12 H 1.208 0.000 2 1175 95 96 ILE HG13 H 1.352 0.000 2 1176 95 96 ILE HG2 H 0.892 0.000 . 1177 95 96 ILE C C 176.415 0.000 1 1178 95 96 ILE CA C 63.880 0.000 1 1179 95 96 ILE CB C 38.055 0.000 1 1180 95 96 ILE CD1 C 14.563 0.000 1 1181 95 96 ILE CG1 C 29.280 0.009 1 1182 95 96 ILE CG2 C 18.025 0.000 1 1183 95 96 ILE N N 123.862 0.000 1 1184 96 97 SER H H 8.211 0.000 1 1185 96 97 SER HA H 3.978 0.000 1 1186 96 97 SER HB2 H 4.031 0.000 2 1187 96 97 SER HB3 H 4.031 0.000 2 1188 96 97 SER C C 176.494 0.000 1 1189 96 97 SER CA C 61.576 0.000 1 1190 96 97 SER CB C 61.262 0.000 1 1191 96 97 SER N N 116.529 0.000 1 1192 97 98 GLU H H 7.329 0.000 1 1193 97 98 GLU HA H 4.290 0.000 1 1194 97 98 GLU HB2 H 2.106 0.000 2 1195 97 98 GLU HB3 H 2.163 0.000 2 1196 97 98 GLU HG2 H 2.271 0.000 2 1197 97 98 GLU HG3 H 2.365 0.000 2 1198 97 98 GLU C C 179.288 0.000 1 1199 97 98 GLU CA C 58.705 0.000 1 1200 97 98 GLU CB C 29.791 0.004 1 1201 97 98 GLU CG C 36.582 0.001 1 1202 97 98 GLU N N 122.955 0.000 1 1203 98 99 VAL H H 7.386 0.000 1 1204 98 99 VAL HA H 3.815 0.000 1 1205 98 99 VAL HB H 2.184 0.000 1 1206 98 99 VAL HG1 H 1.034 0.000 . 1207 98 99 VAL HG2 H 1.085 0.000 . 1208 98 99 VAL C C 177.662 0.000 1 1209 98 99 VAL CA C 65.774 0.000 1 1210 98 99 VAL CB C 32.047 0.000 1 1211 98 99 VAL CG1 C 22.160 0.000 2 1212 98 99 VAL CG2 C 22.225 0.000 2 1213 98 99 VAL N N 120.888 0.000 1 1214 99 100 TYR H H 8.984 0.000 1 1215 99 100 TYR HA H 4.013 0.000 1 1216 99 100 TYR HB2 H 3.034 0.000 2 1217 99 100 TYR HB3 H 3.183 0.000 2 1218 99 100 TYR HD1 H 7.133 0.005 3 1219 99 100 TYR HD2 H 7.133 0.005 3 1220 99 100 TYR HE1 H 6.936 0.001 3 1221 99 100 TYR HE2 H 6.936 0.001 3 1222 99 100 TYR C C 176.355 0.000 1 1223 99 100 TYR CA C 62.118 0.000 1 1224 99 100 TYR CB C 38.921 0.033 1 1225 99 100 TYR CD1 C 133.714 0.000 3 1226 99 100 TYR CE1 C 117.881 0.000 3 1227 99 100 TYR N N 118.874 0.000 1 1228 100 101 GLU H H 7.433 0.000 1 1229 100 101 GLU HA H 3.833 0.000 1 1230 100 101 GLU HB2 H 2.163 0.000 2 1231 100 101 GLU HB3 H 2.163 0.000 2 1232 100 101 GLU HG2 H 2.460 0.000 2 1233 100 101 GLU HG3 H 2.460 0.000 2 1234 100 101 GLU C C 177.674 0.000 1 1235 100 101 GLU CA C 58.895 0.000 1 1236 100 101 GLU CB C 29.577 0.000 1 1237 100 101 GLU CG C 35.853 0.000 1 1238 100 101 GLU N N 114.383 0.000 1 1239 101 102 SER H H 7.423 0.000 1 1240 101 102 SER HA H 4.552 0.000 1 1241 101 102 SER HB2 H 3.965 0.000 2 1242 101 102 SER HB3 H 4.006 0.000 2 1243 101 102 SER C C 176.554 0.000 1 1244 101 102 SER CA C 60.200 0.000 1 1245 101 102 SER CB C 64.828 0.001 1 1246 101 102 SER N N 108.722 0.000 1 1247 102 103 GLU H H 8.488 0.000 1 1248 102 103 GLU HA H 4.752 0.000 1 1249 102 103 GLU HB2 H 1.658 0.000 2 1250 102 103 GLU HB3 H 2.285 0.000 2 1251 102 103 GLU HG2 H 2.239 0.000 2 1252 102 103 GLU HG3 H 2.370 0.000 2 1253 102 103 GLU C C 176.653 0.000 1 1254 102 103 GLU CA C 55.464 0.000 1 1255 102 103 GLU CB C 30.611 0.000 1 1256 102 103 GLU CG C 34.880 0.010 1 1257 102 103 GLU N N 116.116 0.000 1 1258 103 104 ARG H H 7.511 0.000 1 1259 103 104 ARG HA H 4.241 0.000 1 1260 103 104 ARG HB2 H 1.352 0.000 2 1261 103 104 ARG HB3 H 1.455 0.000 2 1262 103 104 ARG HD2 H 2.036 0.000 2 1263 103 104 ARG HD3 H 2.538 0.000 2 1264 103 104 ARG HG2 H 1.251 0.000 2 1265 103 104 ARG HG3 H 1.480 0.000 2 1266 103 104 ARG C C 174.634 0.000 1 1267 103 104 ARG CA C 56.926 0.000 1 1268 103 104 ARG CB C 29.713 0.005 1 1269 103 104 ARG CD C 43.442 0.001 1 1270 103 104 ARG CG C 25.196 0.007 1 1271 103 104 ARG N N 117.180 0.000 1 1272 104 105 ASP H H 9.069 0.000 1 1273 104 105 ASP HA H 4.774 0.000 1 1274 104 105 ASP HB2 H 3.217 0.000 2 1275 104 105 ASP HB3 H 3.930 0.000 2 1276 104 105 ASP C C 177.460 0.000 1 1277 104 105 ASP CA C 53.852 0.000 1 1278 104 105 ASP CB C 43.424 0.000 1 1279 104 105 ASP N N 123.349 0.000 1 1280 105 106 GLU H H 8.982 0.000 1 1281 105 106 GLU HA H 4.199 0.000 1 1282 105 106 GLU HB2 H 2.228 0.000 2 1283 105 106 GLU HB3 H 2.228 0.000 2 1284 105 106 GLU HG2 H 2.509 0.000 2 1285 105 106 GLU HG3 H 2.509 0.000 2 1286 105 106 GLU C C 177.398 0.000 1 1287 105 106 GLU CA C 59.413 0.000 1 1288 105 106 GLU CB C 29.983 0.000 1 1289 105 106 GLU CG C 36.464 0.000 1 1290 105 106 GLU N N 125.197 0.000 1 1291 106 107 ASP H H 9.873 0.000 1 1292 106 107 ASP HA H 4.211 0.000 1 1293 106 107 ASP HB2 H 2.732 0.000 2 1294 106 107 ASP HB3 H 2.917 0.000 2 1295 106 107 ASP C C 175.775 0.000 1 1296 106 107 ASP CA C 54.698 0.000 1 1297 106 107 ASP CB C 40.187 0.004 1 1298 106 107 ASP N N 118.717 0.000 1 1299 107 108 GLY H H 7.971 0.000 1 1300 107 108 GLY HA2 H 3.431 0.000 . 1301 107 108 GLY HA3 H 4.526 0.000 2 1302 107 108 GLY C C 175.138 0.000 1 1303 107 108 GLY CA C 45.029 0.001 1 1304 107 108 GLY N N 105.017 0.000 1 1305 108 109 PHE H H 9.799 0.000 1 1306 108 109 PHE HA H 4.607 0.000 1 1307 108 109 PHE HB2 H 2.043 0.000 2 1308 108 109 PHE HB3 H 3.646 0.000 2 1309 108 109 PHE HD1 H 7.143 0.005 3 1310 108 109 PHE HD2 H 7.143 0.005 3 1311 108 109 PHE HE1 H 7.373 0.001 3 1312 108 109 PHE HE2 H 7.373 0.001 3 1313 108 109 PHE HZ H 7.244 0.000 1 1314 108 109 PHE C C 175.171 0.000 1 1315 108 109 PHE CA C 60.222 0.000 1 1316 108 109 PHE CB C 40.433 0.011 1 1317 108 109 PHE CD1 C 132.266 0.000 3 1318 108 109 PHE CE1 C 131.710 0.000 3 1319 108 109 PHE CZ C 128.239 0.000 1 1320 108 109 PHE N N 123.309 0.000 1 1321 109 110 LEU H H 8.061 0.000 1 1322 109 110 LEU HA H 5.022 0.000 1 1323 109 110 LEU HB2 H 1.515 0.000 2 1324 109 110 LEU HB3 H 2.276 0.000 2 1325 109 110 LEU HD1 H 0.845 0.000 . 1326 109 110 LEU HD2 H 0.960 0.000 . 1327 109 110 LEU HG H 1.535 0.000 1 1328 109 110 LEU C C 174.033 0.000 1 1329 109 110 LEU CA C 53.539 0.000 1 1330 109 110 LEU CB C 45.284 0.003 1 1331 109 110 LEU CD1 C 26.628 0.000 2 1332 109 110 LEU CD2 C 24.580 0.000 2 1333 109 110 LEU CG C 27.432 0.000 1 1334 109 110 LEU N N 119.999 0.000 1 1335 110 111 TYR H H 9.363 0.000 1 1336 110 111 TYR HA H 4.906 0.000 1 1337 110 111 TYR HB2 H 2.963 0.000 2 1338 110 111 TYR HB3 H 3.072 0.000 2 1339 110 111 TYR HD1 H 7.345 0.002 3 1340 110 111 TYR HD2 H 7.345 0.002 3 1341 110 111 TYR HE1 H 7.301 0.000 3 1342 110 111 TYR HE2 H 7.301 0.000 3 1343 110 111 TYR C C 176.538 0.000 1 1344 110 111 TYR CA C 59.335 0.000 1 1345 110 111 TYR CB C 39.485 0.072 1 1346 110 111 TYR CD1 C 132.703 0.000 3 1347 110 111 TYR CE1 C 118.974 0.000 3 1348 110 111 TYR N N 126.322 0.000 1 1349 111 112 MET H H 9.496 0.000 1 1350 111 112 MET HA H 5.522 0.000 1 1351 111 112 MET HB2 H 1.944 0.000 2 1352 111 112 MET HB3 H 1.986 0.000 2 1353 111 112 MET HE H 1.826 0.000 . 1354 111 112 MET HG2 H 2.465 0.000 2 1355 111 112 MET HG3 H 2.465 0.000 2 1356 111 112 MET C C 175.676 0.000 1 1357 111 112 MET CA C 54.216 0.000 1 1358 111 112 MET CB C 36.821 0.005 1 1359 111 112 MET CE C 18.944 0.000 1 1360 111 112 MET CG C 33.602 0.000 1 1361 111 112 MET N N 119.003 0.000 1 1362 112 113 VAL H H 8.749 0.000 1 1363 112 113 VAL HA H 5.967 0.000 1 1364 112 113 VAL HB H 1.940 0.000 1 1365 112 113 VAL HG1 H 1.005 0.000 . 1366 112 113 VAL HG2 H 1.045 0.000 . 1367 112 113 VAL C C 174.893 0.000 1 1368 112 113 VAL CA C 58.896 0.000 1 1369 112 113 VAL CB C 36.149 0.000 1 1370 112 113 VAL CG1 C 21.039 0.000 2 1371 112 113 VAL CG2 C 21.824 0.000 2 1372 112 113 VAL N N 119.658 0.000 1 1373 113 114 TYR H H 8.210 0.000 1 1374 113 114 TYR HA H 6.141 0.000 1 1375 113 114 TYR HB2 H 2.435 0.000 2 1376 113 114 TYR HB3 H 2.703 0.000 2 1377 113 114 TYR HD1 H 6.858 0.006 3 1378 113 114 TYR HD2 H 6.858 0.006 3 1379 113 114 TYR HE1 H 6.706 0.000 3 1380 113 114 TYR HE2 H 6.706 0.000 3 1381 113 114 TYR C C 173.353 0.000 1 1382 113 114 TYR CA C 54.161 0.000 1 1383 113 114 TYR CB C 43.538 0.011 1 1384 113 114 TYR CD1 C 133.668 0.000 3 1385 113 114 TYR CE1 C 116.985 0.000 3 1386 113 114 TYR N N 118.947 0.000 1 1387 114 115 ALA H H 8.483 0.000 1 1388 114 115 ALA HA H 4.762 0.000 1 1389 114 115 ALA HB H 1.528 0.000 . 1390 114 115 ALA C C 176.033 0.000 1 1391 114 115 ALA CA C 51.223 0.000 1 1392 114 115 ALA CB C 24.521 0.000 1 1393 114 115 ALA N N 119.557 0.000 1 1394 115 116 SER H H 9.835 0.000 1 1395 115 116 SER HA H 4.497 0.000 1 1396 115 116 SER HB2 H 3.916 0.000 2 1397 115 116 SER HB3 H 4.324 0.000 2 1398 115 116 SER C C 172.664 0.000 1 1399 115 116 SER CA C 58.669 0.000 1 1400 115 116 SER CB C 63.570 0.013 1 1401 115 116 SER N N 114.435 0.000 1 1402 116 117 GLN H H 7.180 0.000 1 1403 116 117 GLN HA H 4.460 0.000 1 1404 116 117 GLN HB2 H 1.768 0.000 2 1405 116 117 GLN HB3 H 1.987 0.000 2 1406 116 117 GLN HE21 H 6.866 0.001 2 1407 116 117 GLN HE22 H 7.514 0.000 2 1408 116 117 GLN HG2 H 2.017 0.000 2 1409 116 117 GLN HG3 H 2.087 0.000 2 1410 116 117 GLN C C 172.901 0.000 1 1411 116 117 GLN CA C 53.974 0.000 1 1412 116 117 GLN CB C 32.192 0.002 1 1413 116 117 GLN CD C 180.566 0.009 1 1414 116 117 GLN CG C 33.302 0.000 1 1415 116 117 GLN N N 116.449 0.000 1 1416 116 117 GLN NE2 N 112.369 0.002 1 1417 117 118 GLU H H 7.878 0.000 1 1418 117 118 GLU HA H 3.259 0.000 1 1419 117 118 GLU HB2 H 1.140 0.000 2 1420 117 118 GLU HB3 H 1.254 0.000 2 1421 117 118 GLU HG2 H 1.483 0.000 2 1422 117 118 GLU HG3 H 1.641 0.000 2 1423 117 118 GLU C C 175.233 0.000 1 1424 117 118 GLU CA C 56.890 0.000 1 1425 117 118 GLU CB C 30.325 0.001 1 1426 117 118 GLU CG C 36.391 0.002 1 1427 117 118 GLU N N 117.687 0.000 1 1428 118 119 THR H H 6.968 0.000 1 1429 118 119 THR HA H 4.082 0.000 1 1430 118 119 THR HB H 3.927 0.000 1 1431 118 119 THR HG2 H 0.922 0.000 . 1432 118 119 THR C C 173.134 0.000 1 1433 118 119 THR CA C 60.123 0.000 1 1434 118 119 THR CB C 70.147 0.000 1 1435 118 119 THR CG2 C 21.163 0.000 1 1436 118 119 THR N N 109.548 0.000 1 1437 119 120 PHE H H 8.138 0.000 1 1438 119 120 PHE HA H 4.436 0.000 1 1439 119 120 PHE HB2 H 2.661 0.000 2 1440 119 120 PHE HB3 H 3.018 0.000 2 1441 119 120 PHE HD1 H 6.760 0.003 3 1442 119 120 PHE HD2 H 6.760 0.003 3 1443 119 120 PHE HE1 H 6.812 0.003 3 1444 119 120 PHE HE2 H 6.812 0.003 3 1445 119 120 PHE HZ H 6.806 0.000 1 1446 119 120 PHE C C 174.902 0.000 1 1447 119 120 PHE CA C 56.750 0.000 1 1448 119 120 PHE CB C 39.411 0.015 1 1449 119 120 PHE CD1 C 131.533 0.000 3 1450 119 120 PHE CE1 C 130.750 0.000 3 1451 119 120 PHE CZ C 128.911 0.000 1 1452 119 120 PHE N N 121.777 0.000 1 1453 120 121 GLY H H 7.872 0.000 1 1454 120 121 GLY HA2 H 3.762 0.000 2 1455 120 121 GLY HA3 H 3.762 0.000 2 1456 120 121 GLY CA C 46.149 0.000 1 1457 120 121 GLY N N 115.421 0.000 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $LC3_p62 $p62_LC3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name p62_peptide _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 1 331 1 MET HA H 4.516 0.000 1 2 331 1 MET HB2 H 1.979 0.000 2 3 331 1 MET HB3 H 2.088 0.000 2 4 331 1 MET HG2 H 2.472 0.000 2 5 331 1 MET HG3 H 2.545 0.000 2 6 331 1 MET C C 175.951 0.000 1 7 331 1 MET CA C 85.327 0.003 1 8 331 1 MET CB C 62.922 0.001 1 9 331 1 MET CG C 61.859 0.001 1 10 332 2 SER H H 8.471 0.000 1 11 332 2 SER HA H 4.484 0.000 1 12 332 2 SER HB2 H 3.870 0.000 2 13 332 2 SER HB3 H 3.905 0.000 2 14 332 2 SER C C 174.962 0.000 1 15 332 2 SER CA C 88.436 0.011 1 16 332 2 SER CB C 93.927 0.001 1 17 332 2 SER N N 147.261 0.000 1 18 333 3 GLY H H 8.601 0.000 1 19 333 3 GLY HA2 H 4.022 0.000 2 20 333 3 GLY HA3 H 4.022 0.000 2 21 333 3 GLY C C 174.774 0.000 1 22 333 3 GLY CA C 75.465 0.000 1 23 333 3 GLY N N 141.077 0.000 1 24 334 4 GLY H H 8.372 0.000 1 25 334 4 GLY HA2 H 3.980 0.000 2 26 334 4 GLY HA3 H 3.980 0.000 2 27 334 4 GLY C C 174.758 0.000 1 28 334 4 GLY CA C 75.674 0.022 1 29 334 4 GLY N N 138.894 0.000 1 30 335 5 ASP H H 8.429 0.000 1 31 335 5 ASP HA H 4.610 0.000 1 32 335 5 ASP HB2 H 2.585 0.000 2 33 335 5 ASP HB3 H 2.719 0.000 2 34 335 5 ASP CA C 85.066 0.014 1 35 335 5 ASP CB C 71.191 0.008 1 36 335 5 ASP N N 149.637 0.000 1 37 336 6 ASP H H 8.244 0.000 1 38 336 6 ASP HA H 4.559 0.000 1 39 336 6 ASP HB2 H 2.561 0.000 2 40 336 6 ASP HB3 H 2.746 0.000 2 41 336 6 ASP C C 175.432 0.000 1 42 336 6 ASP CA C 84.708 0.072 1 43 336 6 ASP CB C 71.552 0.036 1 44 336 6 ASP N N 148.885 0.000 1 45 337 7 ASP H H 7.803 0.000 1 46 337 7 ASP HA H 4.655 0.000 1 47 337 7 ASP HB2 H 2.569 0.000 2 48 337 7 ASP HB3 H 2.621 0.000 2 49 337 7 ASP C C 175.362 0.000 1 50 337 7 ASP CA C 83.670 0.035 1 51 337 7 ASP CB C 71.933 0.130 1 52 337 7 ASP N N 149.563 0.000 1 53 338 8 TRP H H 8.472 0.000 1 54 338 8 TRP HA H 4.174 0.000 1 55 338 8 TRP HB2 H 2.651 0.000 2 56 338 8 TRP HB3 H 2.967 0.000 2 57 338 8 TRP HD1 H 7.396 0.000 1 58 338 8 TRP HE1 H 10.218 0.000 1 59 338 8 TRP HE3 H 6.977 0.000 1 60 338 8 TRP HH2 H 6.819 0.000 1 61 338 8 TRP HZ2 H 7.367 0.000 1 62 338 8 TRP HZ3 H 6.763 0.000 1 63 338 8 TRP C C 175.959 0.000 1 64 338 8 TRP CA C 87.020 0.015 1 65 338 8 TRP CB C 61.223 0.002 1 66 338 8 TRP CD1 C 158.329 0.000 1 67 338 8 TRP CE3 C 155.094 0.000 1 68 338 8 TRP CH2 C 160.818 0.000 1 69 338 8 TRP CZ2 C 144.030 0.000 1 70 338 8 TRP CZ3 C 161.540 0.000 1 71 338 8 TRP N N 150.172 0.000 1 72 338 8 TRP NE1 N 160.134 0.000 1 73 339 9 THR H H 7.994 0.000 1 74 339 9 THR HA H 4.533 0.000 1 75 339 9 THR HB H 3.624 0.000 1 76 339 9 THR HG2 H 1.211 0.000 . 77 339 9 THR C C 174.035 0.000 1 78 339 9 THR CA C 92.659 0.001 1 79 339 9 THR CB C 99.436 0.000 1 80 339 9 THR CG2 C 51.112 0.000 1 81 339 9 THR N N 149.503 0.000 1 82 340 10 HIS H H 9.463 0.000 1 83 340 10 HIS HA H 4.677 0.000 1 84 340 10 HIS HB2 H 2.883 0.000 2 85 340 10 HIS HB3 H 3.072 0.000 2 86 340 10 HIS HD2 H 6.966 0.000 1 87 340 10 HIS HE1 H 6.352 0.000 1 88 340 10 HIS C C 175.606 0.000 1 89 340 10 HIS CA C 87.024 0.032 1 90 340 10 HIS CB C 61.368 0.057 1 91 340 10 HIS CD2 C 147.416 0.000 1 92 340 10 HIS CE1 C 166.282 0.000 1 93 340 10 HIS N N 159.135 0.000 1 94 341 11 LEU H H 8.398 0.000 1 95 341 11 LEU HA H 4.848 0.000 1 96 341 11 LEU HB2 H 1.418 0.000 2 97 341 11 LEU HB3 H 1.750 0.000 2 98 341 11 LEU HD1 H 0.448 0.000 . 99 341 11 LEU HD2 H 0.811 0.000 . 100 341 11 LEU HG H 1.754 0.000 1 101 341 11 LEU C C 175.919 0.000 1 102 341 11 LEU CA C 83.684 0.021 1 103 341 11 LEU CB C 73.601 0.049 1 104 341 11 LEU CD1 C 54.915 0.000 2 105 341 11 LEU CD2 C 52.534 0.000 2 106 341 11 LEU CG C 56.678 0.000 1 107 341 11 LEU N N 153.300 0.000 1 108 342 12 SER H H 8.382 0.000 1 109 342 12 SER HA H 4.652 0.000 1 110 342 12 SER HB2 H 3.800 0.000 2 111 342 12 SER HB3 H 3.928 0.000 2 112 342 12 SER C C 174.263 0.000 1 113 342 12 SER CA C 86.841 0.061 1 114 342 12 SER CB C 95.113 0.028 1 115 342 12 SER N N 144.018 0.000 1 116 343 13 SER H H 8.937 0.000 1 117 343 13 SER HA H 4.291 0.000 1 118 343 13 SER HB2 H 3.753 0.000 2 119 343 13 SER HB3 H 3.984 0.000 2 120 343 13 SER C C 174.652 0.000 1 121 343 13 SER CA C 89.546 0.016 1 122 343 13 SER CB C 93.470 0.004 1 123 343 13 SER N N 148.575 0.000 1 124 344 14 LYS H H 8.250 0.000 1 125 344 14 LYS HA H 4.319 0.000 1 126 344 14 LYS HB2 H 1.741 0.000 2 127 344 14 LYS HB3 H 1.845 0.000 2 128 344 14 LYS HD2 H 1.673 0.000 2 129 344 14 LYS HD3 H 1.673 0.000 2 130 344 14 LYS HE2 H 2.989 0.000 2 131 344 14 LYS HE3 H 2.989 0.000 2 132 344 14 LYS HG2 H 1.429 0.000 2 133 344 14 LYS HG3 H 1.429 0.000 2 134 344 14 LYS C C 176.699 0.000 1 135 344 14 LYS CA C 86.716 0.005 1 136 344 14 LYS CB C 62.831 0.006 1 137 344 14 LYS CD C 58.966 0.000 1 138 344 14 LYS CE C 72.061 0.000 1 139 344 14 LYS CG C 54.671 0.000 1 140 344 14 LYS N N 151.908 0.000 1 141 345 15 GLU H H 8.256 0.000 1 142 345 15 GLU HA H 4.240 0.000 1 143 345 15 GLU HB2 H 1.974 0.000 2 144 345 15 GLU HB3 H 2.128 0.000 2 145 345 15 GLU HG2 H 2.284 0.000 2 146 345 15 GLU HG3 H 2.284 0.000 2 147 345 15 GLU C C 176.152 0.000 1 148 345 15 GLU CA C 87.152 0.034 1 149 345 15 GLU CB C 60.176 0.023 1 150 345 15 GLU CG C 66.842 0.000 1 151 345 15 GLU N N 150.679 0.000 1 152 346 16 VAL H H 7.762 0.000 1 153 346 16 VAL HA H 4.161 0.000 1 154 346 16 VAL HB H 2.160 0.000 1 155 346 16 VAL HG1 H 0.892 0.000 . 156 346 16 VAL HG2 H 0.910 0.000 . 157 346 16 VAL C C 174.646 0.000 1 158 346 16 VAL CA C 91.707 0.004 1 159 346 16 VAL CB C 63.107 0.009 1 160 346 16 VAL CG1 C 49.984 0.000 2 161 346 16 VAL CG2 C 51.657 0.000 2 162 346 16 VAL N N 146.718 0.000 1 163 347 17 ASP H H 7.809 0.000 1 164 347 17 ASP HA H 4.365 0.000 1 165 347 17 ASP HB2 H 2.545 0.000 2 166 347 17 ASP HB3 H 2.645 0.000 2 167 347 17 ASP CA C 86.067 0.007 1 168 347 17 ASP CB C 72.278 0.001 1 169 347 17 ASP N N 158.093 0.000 1 stop_ save_