data_18328 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of CHCHD7 ; _BMRB_accession_number 18328 _BMRB_flat_file_name bmr18328.str _Entry_type original _Submission_date 2012-03-14 _Accession_date 2012-03-14 _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 Winkelmann Julia . . 2 Ciofi-Baffoni Simone . . 3 Banci Lucia . . 4 Bertini Ivano . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 377 "13C chemical shifts" 273 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-11 update BMRB 'update entry citation' 2012-09-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural characterization of CHCHD5 and CHCHD7: two atypical human twin CX9C proteins.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22842048 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Ciofi-Baffoni Simone . . 4 Jaiswal Deepa . . 5 Neri Sara . . 6 Peruzzini Riccardo . . 7 Winkelmann Julia . . stop_ _Journal_abbreviation 'J. Struct. Biol.' _Journal_name_full 'Journal of structural biology' _Journal_volume 180 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 190 _Page_last 200 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CHCHD7 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CHCHD7 $CHCHD7 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_CHCHD7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8598.808 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; MPSVTQRLRDPDINPCLSES DASTRCLDENNYDRERCSTY FLRYKNCRRFWNSIVMQRRK NGVKPFMPTAAERDEILRAV GNMPY ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 SER 4 VAL 5 THR 6 GLN 7 ARG 8 LEU 9 ARG 10 ASP 11 PRO 12 ASP 13 ILE 14 ASN 15 PRO 16 CYS 17 LEU 18 SER 19 GLU 20 SER 21 ASP 22 ALA 23 SER 24 THR 25 ARG 26 CYS 27 LEU 28 ASP 29 GLU 30 ASN 31 ASN 32 TYR 33 ASP 34 ARG 35 GLU 36 ARG 37 CYS 38 SER 39 THR 40 TYR 41 PHE 42 LEU 43 ARG 44 TYR 45 LYS 46 ASN 47 CYS 48 ARG 49 ARG 50 PHE 51 TRP 52 ASN 53 SER 54 ILE 55 VAL 56 MET 57 GLN 58 ARG 59 ARG 60 LYS 61 ASN 62 GLY 63 VAL 64 LYS 65 PRO 66 PHE 67 MET 68 PRO 69 THR 70 ALA 71 ALA 72 GLU 73 ARG 74 ASP 75 GLU 76 ILE 77 LEU 78 ARG 79 ALA 80 VAL 81 GLY 82 ASN 83 MET 84 PRO 85 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 2LQT "Solution Structure Of Chchd7" 98.82 85 100.00 100.00 3.02e-54 DBJ BAF82777 "unnamed protein product [Homo sapiens]" 100.00 85 100.00 100.00 3.64e-55 GB AAH02546 "Coiled-coil-helix-coiled-coil-helix domain containing 7 [Homo sapiens]" 100.00 97 100.00 100.00 9.78e-56 GB AIC52242 "CHCHD7, partial [synthetic construct]" 100.00 85 100.00 100.00 3.64e-55 GB EAW86776 "coiled-coil-helix-coiled-coil-helix domain containing 7, isoform CRA_a [Homo sapiens]" 100.00 85 100.00 100.00 3.64e-55 GB EAW86778 "coiled-coil-helix-coiled-coil-helix domain containing 7, isoform CRA_c [Homo sapiens]" 100.00 110 100.00 100.00 3.49e-55 GB EAW86779 "coiled-coil-helix-coiled-coil-helix domain containing 7, isoform CRA_d [Homo sapiens]" 100.00 97 100.00 100.00 9.78e-56 REF NP_001011668 "coiled-coil-helix-coiled-coil-helix domain-containing protein 7 isoform b [Homo sapiens]" 100.00 110 100.00 100.00 3.49e-55 REF NP_001011671 "coiled-coil-helix-coiled-coil-helix domain-containing protein 7 isoform f [Homo sapiens]" 100.00 85 100.00 100.00 3.64e-55 REF NP_077276 "coiled-coil-helix-coiled-coil-helix domain-containing protein 7 isoform d [Homo sapiens]" 100.00 97 100.00 100.00 9.78e-56 REF XP_001151645 "PREDICTED: coiled-coil-helix-coiled-coil-helix domain-containing protein 7 isoform X1 [Pan troglodytes]" 100.00 110 100.00 100.00 3.49e-55 REF XP_002819143 "PREDICTED: coiled-coil-helix-coiled-coil-helix domain-containing protein 7 isoform X2 [Pongo abelii]" 100.00 85 97.65 98.82 1.19e-53 SP Q9BUK0 "RecName: Full=Coiled-coil-helix-coiled-coil-helix domain-containing protein 7" 100.00 85 100.00 100.00 3.64e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $CHCHD7 Human 9606 Eukaryota Metazoa Homo sapiens CHCHD7 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 $CHCHD7 'recombinant technology' . Escherichia coli BL21-Origami(DE3) pET16b 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CHCHD7 . mM 0.5 1 '[U-100% 15N]' 'potassium phosphate' 50 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CHCHD7 . mM 0.5 1 '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 50 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . '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 processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PECAN _Saveframe_category software _Name PECAN _Version . loop_ _Vendor _Address _Electronic_address 'Eghbalnia, Wang, Bahrami, Assadi, and Markley' . . stop_ loop_ _Task 'data analysis' 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_ATNOS _Saveframe_category software _Name ATNOS _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_CANDID _Saveframe_category software _Name CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'NOEs assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'Structure validation' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'Structure validation' stop_ _Details . save_ save_WhatIF _Saveframe_category software _Name WhatIF _Version . loop_ _Vendor _Address _Electronic_address Vriend . . stop_ loop_ _Task 'Structure validation' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio dioxane C 13 'methylene carbons' ppm 69.3 external direct . . . 1.0 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CHCHD7 _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 14 14 ASN H H 7.84 0.02 1 2 14 14 ASN HA H 4.11 0.02 1 3 14 14 ASN HB2 H 2.47 0.02 2 4 14 14 ASN HB3 H 2.42 0.02 2 5 14 14 ASN HD21 H 7.43 0.02 1 6 14 14 ASN HD22 H 6.70 0.02 1 7 14 14 ASN C C 176.0 0.3 1 8 14 14 ASN CA C 49.2 0.3 1 9 14 14 ASN CB C 39.0 0.3 1 10 14 14 ASN N N 119.7 0.3 1 11 14 14 ASN ND2 N 111.9 0.3 1 12 15 15 PRO HA H 4.25 0.02 1 13 15 15 PRO HB2 H 1.94 0.02 1 14 15 15 PRO HG2 H 1.89 0.02 1 15 15 15 PRO HD2 H 3.63 0.02 2 16 15 15 PRO HD3 H 3.56 0.02 2 17 15 15 PRO CA C 63.1 0.3 1 18 15 15 PRO CB C 32.1 0.3 1 19 15 15 PRO CG C 27.1 0.3 1 20 15 15 PRO CD C 50.2 0.3 1 21 16 16 CYS H H 7.98 0.02 1 22 16 16 CYS HA H 5.51 0.02 1 23 16 16 CYS HB2 H 3.50 0.02 1 24 16 16 CYS C C 175.4 0.3 1 25 16 16 CYS CA C 53.7 0.3 1 26 16 16 CYS CB C 43.4 0.3 1 27 16 16 CYS N N 118.7 0.3 1 28 17 17 LEU H H 7.42 0.02 1 29 17 17 LEU HA H 3.97 0.02 1 30 17 17 LEU HB2 H 1.60 0.02 2 31 17 17 LEU HB3 H 1.44 0.02 2 32 17 17 LEU HG H 1.53 0.02 1 33 17 17 LEU HD1 H 0.75 0.02 1 34 17 17 LEU HD2 H 0.73 0.02 1 35 17 17 LEU C C 178.7 0.3 1 36 17 17 LEU CA C 58.0 0.3 1 37 17 17 LEU CB C 41.9 0.3 1 38 17 17 LEU CG C 26.3 0.3 1 39 17 17 LEU CD1 C 24.0 0.3 1 40 17 17 LEU CD2 C 24.5 0.3 1 41 17 17 LEU N N 122.4 0.3 1 42 18 18 SER H H 8.81 0.02 1 43 18 18 SER HA H 4.12 0.02 1 44 18 18 SER HB2 H 3.81 0.02 2 45 18 18 SER HB3 H 3.78 0.02 2 46 18 18 SER C C 177.7 0.3 1 47 18 18 SER CA C 62.0 0.3 1 48 18 18 SER CB C 62.0 0.3 1 49 18 18 SER N N 114.7 0.3 1 50 19 19 GLU H H 9.69 0.02 1 51 19 19 GLU HA H 3.99 0.02 1 52 19 19 GLU HB2 H 1.82 0.02 1 53 19 19 GLU HG2 H 2.34 0.02 1 54 19 19 GLU C C 180.3 0.3 1 55 19 19 GLU CA C 60.8 0.3 1 56 19 19 GLU CB C 28.1 0.3 1 57 19 19 GLU CG C 38.2 0.3 1 58 19 19 GLU N N 123.5 0.3 1 59 20 20 SER H H 8.59 0.02 1 60 20 20 SER HA H 3.67 0.02 1 61 20 20 SER HB2 H 3.66 0.02 1 62 20 20 SER C C 177.6 0.3 1 63 20 20 SER CA C 60.9 0.3 1 64 20 20 SER CB C 61.9 0.3 1 65 20 20 SER N N 118.1 0.3 1 66 21 21 ASP H H 8.63 0.02 1 67 21 21 ASP HA H 4.18 0.02 1 68 21 21 ASP HB2 H 2.72 0.02 2 69 21 21 ASP HB3 H 2.47 0.02 2 70 21 21 ASP C C 178.6 0.3 1 71 21 21 ASP CA C 56.8 0.3 1 72 21 21 ASP CB C 39.5 0.3 1 73 21 21 ASP N N 122.7 0.3 1 74 22 22 ALA H H 8.06 0.02 1 75 22 22 ALA HA H 3.85 0.02 1 76 22 22 ALA HB H 1.42 0.02 1 77 22 22 ALA C C 180.1 0.3 1 78 22 22 ALA CA C 54.5 0.3 1 79 22 22 ALA CB C 18.0 0.3 1 80 22 22 ALA N N 121.1 0.3 1 81 23 23 SER H H 7.44 0.02 1 82 23 23 SER HA H 3.62 0.02 1 83 23 23 SER HB2 H 3.37 0.02 1 84 23 23 SER CA C 62.0 0.3 1 85 23 23 SER CB C 61.8 0.3 1 86 23 23 SER N N 115.0 0.3 1 87 24 24 THR HA H 3.63 0.02 1 88 24 24 THR HB H 3.93 0.02 1 89 24 24 THR HG2 H 0.93 0.02 1 90 24 24 THR CA C 66.3 0.3 1 91 24 24 THR CB C 67.9 0.3 1 92 24 24 THR CG2 C 22.5 0.3 1 93 25 25 ARG H H 8.08 0.02 1 94 25 25 ARG HA H 3.99 0.02 1 95 25 25 ARG HB2 H 1.62 0.02 2 96 25 25 ARG HB3 H 1.55 0.02 2 97 25 25 ARG HG2 H 1.31 0.02 1 98 25 25 ARG HD2 H 3.03 0.02 1 99 25 25 ARG C C 177.6 0.3 1 100 25 25 ARG CA C 58.9 0.3 1 101 25 25 ARG CB C 29.0 0.3 1 102 25 25 ARG CG C 27.2 0.3 1 103 25 25 ARG CD C 43.2 0.3 1 104 25 25 ARG N N 121.2 0.3 1 105 26 26 CYS H H 7.39 0.02 1 106 26 26 CYS HA H 3.89 0.02 1 107 26 26 CYS HB2 H 2.92 0.02 1 108 26 26 CYS C C 177.7 0.3 1 109 26 26 CYS CA C 60.4 0.3 1 110 26 26 CYS CB C 38.7 0.3 1 111 26 26 CYS N N 116.7 0.3 1 112 27 27 LEU H H 7.63 0.02 1 113 27 27 LEU HA H 3.47 0.02 1 114 27 27 LEU HB2 H 1.09 0.02 1 115 27 27 LEU HG H 0.97 0.02 1 116 27 27 LEU HD1 H 0.55 0.02 1 117 27 27 LEU HD2 H 0.53 0.02 1 118 27 27 LEU C C 178.5 0.3 1 119 27 27 LEU CA C 57.8 0.3 1 120 27 27 LEU CB C 41.2 0.3 1 121 27 27 LEU CG C 26.0 0.3 1 122 27 27 LEU CD1 C 22.1 0.3 1 123 27 27 LEU CD2 C 22.0 0.3 1 124 27 27 LEU N N 121.8 0.3 1 125 28 28 ASP H H 7.99 0.02 1 126 28 28 ASP HA H 4.06 0.02 1 127 28 28 ASP HB2 H 2.81 0.02 2 128 28 28 ASP HB3 H 2.59 0.02 2 129 28 28 ASP C C 178.8 0.3 1 130 28 28 ASP CA C 56.7 0.3 1 131 28 28 ASP CB C 40.7 0.3 1 132 28 28 ASP N N 118.8 0.3 1 133 29 29 GLU H H 7.77 0.02 1 134 29 29 GLU HA H 4.10 0.02 1 135 29 29 GLU HB2 H 1.96 0.02 2 136 29 29 GLU HB3 H 1.82 0.02 2 137 29 29 GLU HG2 H 2.36 0.02 2 138 29 29 GLU HG3 H 2.11 0.02 2 139 29 29 GLU C C 176.8 0.3 1 140 29 29 GLU CA C 56.8 0.3 1 141 29 29 GLU CB C 30.6 0.3 1 142 29 29 GLU CG C 36.3 0.3 1 143 29 29 GLU N N 116.6 0.3 1 144 30 30 ASN H H 7.47 0.02 1 145 30 30 ASN HA H 4.92 0.02 1 146 30 30 ASN HB2 H 2.72 0.02 2 147 30 30 ASN HB3 H 2.43 0.02 2 148 30 30 ASN HD21 H 7.84 0.02 1 149 30 30 ASN HD22 H 7.27 0.02 1 150 30 30 ASN C C 174.6 0.3 1 151 30 30 ASN CA C 52.9 0.3 1 152 30 30 ASN CB C 38.9 0.3 1 153 30 30 ASN N N 117.4 0.3 1 154 30 30 ASN ND2 N 120.0 0.3 1 155 31 31 ASN H H 8.44 0.02 1 156 31 31 ASN HA H 4.14 0.02 1 157 31 31 ASN HB2 H 2.99 0.02 2 158 31 31 ASN HB3 H 2.51 0.02 2 159 31 31 ASN HD21 H 7.55 0.02 1 160 31 31 ASN HD22 H 6.79 0.02 1 161 31 31 ASN C C 174.4 0.3 1 162 31 31 ASN CA C 54.6 0.3 1 163 31 31 ASN CB C 37.1 0.3 1 164 31 31 ASN N N 117.1 0.3 1 165 31 31 ASN ND2 N 112.3 0.3 1 166 32 32 TYR H H 8.64 0.02 1 167 32 32 TYR HA H 3.40 0.02 1 168 32 32 TYR HB2 H 3.20 0.02 2 169 32 32 TYR HB3 H 2.97 0.02 2 170 32 32 TYR C C 174.1 0.3 1 171 32 32 TYR CA C 59.2 0.3 1 172 32 32 TYR CB C 35.0 0.3 1 173 32 32 TYR N N 110.3 0.3 1 174 33 33 ASP H H 7.19 0.02 1 175 33 33 ASP HA H 4.56 0.02 1 176 33 33 ASP HB2 H 2.87 0.02 2 177 33 33 ASP HB3 H 2.56 0.02 2 178 33 33 ASP C C 175.8 0.3 1 179 33 33 ASP CA C 53.2 0.3 1 180 33 33 ASP CB C 40.8 0.3 1 181 33 33 ASP N N 118.8 0.3 1 182 34 34 ARG H H 8.36 0.02 1 183 34 34 ARG HA H 3.58 0.02 1 184 34 34 ARG HB2 H 1.54 0.02 2 185 34 34 ARG HB3 H 1.47 0.02 2 186 34 34 ARG HG2 H 1.48 0.02 2 187 34 34 ARG HG3 H 1.31 0.02 2 188 34 34 ARG HD2 H 3.13 0.02 2 189 34 34 ARG HD3 H 3.10 0.02 2 190 34 34 ARG C C 178.5 0.3 1 191 34 34 ARG CA C 58.9 0.3 1 192 34 34 ARG CB C 29.5 0.3 1 193 34 34 ARG CG C 27.6 0.3 1 194 34 34 ARG CD C 43.1 0.3 1 195 34 34 ARG N N 124.7 0.3 1 196 35 35 GLU H H 8.26 0.02 1 197 35 35 GLU HA H 4.05 0.02 1 198 35 35 GLU HB2 H 2.06 0.02 2 199 35 35 GLU HB3 H 2.08 0.02 2 200 35 35 GLU HG2 H 2.27 0.02 2 201 35 35 GLU HG3 H 2.20 0.02 2 202 35 35 GLU C C 179.7 0.3 1 203 35 35 GLU CA C 58.2 0.3 1 204 35 35 GLU CB C 28.3 0.3 1 205 35 35 GLU CG C 36.2 0.3 1 206 35 35 GLU N N 118.4 0.3 1 207 36 36 ARG H H 7.73 0.02 1 208 36 36 ARG HA H 4.19 0.02 1 209 36 36 ARG HB2 H 1.84 0.02 1 210 36 36 ARG HG2 H 1.65 0.02 2 211 36 36 ARG HG3 H 1.56 0.02 2 212 36 36 ARG HD2 H 3.15 0.02 2 213 36 36 ARG HD3 H 3.16 0.02 2 214 36 36 ARG C C 177.8 0.3 1 215 36 36 ARG CA C 56.9 0.3 1 216 36 36 ARG CB C 29.4 0.3 1 217 36 36 ARG CG C 27.0 0.3 1 218 36 36 ARG CD C 42.7 0.3 1 219 36 36 ARG N N 119.0 0.3 1 220 37 37 CYS H H 7.30 0.02 1 221 37 37 CYS HA H 5.14 0.02 1 222 37 37 CYS HB2 H 3.28 0.02 2 223 37 37 CYS HB3 H 2.48 0.02 2 224 37 37 CYS C C 176.0 0.3 1 225 37 37 CYS CA C 53.8 0.3 1 226 37 37 CYS CB C 41.4 0.3 1 227 37 37 CYS N N 114.0 0.3 1 228 38 38 SER H H 7.73 0.02 1 229 38 38 SER HA H 4.19 0.02 1 230 38 38 SER HB2 H 4.03 0.02 1 231 38 38 SER CA C 62.5 0.3 1 232 38 38 SER N N 119.1 0.3 1 233 39 39 THR HA H 3.89 0.02 1 234 39 39 THR HB H 3.81 0.02 1 235 39 39 THR HG2 H 0.96 0.02 1 236 39 39 THR CA C 65.7 0.3 1 237 39 39 THR CB C 67.7 0.3 1 238 39 39 THR CG2 C 21.5 0.3 1 239 40 40 TYR H H 7.19 0.02 1 240 40 40 TYR HA H 3.94 0.02 1 241 40 40 TYR HB2 H 2.99 0.02 2 242 40 40 TYR HB3 H 2.70 0.02 2 243 40 40 TYR C C 179.7 0.3 1 244 40 40 TYR CA C 61.7 0.3 1 245 40 40 TYR CB C 37.4 0.3 1 246 40 40 TYR N N 120.3 0.3 1 247 41 41 PHE H H 7.64 0.02 1 248 41 41 PHE HA H 4.37 0.02 1 249 41 41 PHE HB2 H 3.35 0.02 2 250 41 41 PHE HB3 H 3.04 0.02 2 251 41 41 PHE HZ H 6.94 0.02 1 252 41 41 PHE C C 178.4 0.3 1 253 41 41 PHE CA C 61.8 0.3 1 254 41 41 PHE CB C 38.2 0.3 1 255 41 41 PHE N N 120.2 0.3 1 256 42 42 LEU H H 8.32 0.02 1 257 42 42 LEU HA H 4.10 0.02 1 258 42 42 LEU HB2 H 1.71 0.02 1 259 42 42 LEU HG H 1.63 0.02 1 260 42 42 LEU HD1 H 0.86 0.02 1 261 42 42 LEU HD2 H 0.85 0.02 1 262 42 42 LEU C C 178.0 0.3 1 263 42 42 LEU CA C 57.6 0.3 1 264 42 42 LEU CB C 41.3 0.3 1 265 42 42 LEU CG C 26.0 0.3 1 266 42 42 LEU CD1 C 23.8 0.3 1 267 42 42 LEU CD2 C 23.7 0.3 1 268 42 42 LEU N N 121.6 0.3 1 269 43 43 ARG H H 7.70 0.02 1 270 43 43 ARG HA H 4.14 0.02 1 271 43 43 ARG HB2 H 1.85 0.02 1 272 43 43 ARG HG2 H 1.99 0.02 2 273 43 43 ARG HG3 H 1.57 0.02 2 274 43 43 ARG HD2 H 3.29 0.02 2 275 43 43 ARG HD3 H 3.14 0.02 2 276 43 43 ARG C C 178.6 0.3 1 277 43 43 ARG CA C 60.7 0.3 1 278 43 43 ARG CB C 29.0 0.3 1 279 43 43 ARG CG C 28.2 0.3 1 280 43 43 ARG CD C 43.1 0.3 1 281 43 43 ARG N N 118.2 0.3 1 282 44 44 TYR H H 7.66 0.02 1 283 44 44 TYR HA H 3.95 0.02 1 284 44 44 TYR HB2 H 3.15 0.02 2 285 44 44 TYR HB3 H 2.82 0.02 2 286 44 44 TYR C C 178.5 0.3 1 287 44 44 TYR CA C 62.2 0.3 1 288 44 44 TYR CB C 37.6 0.3 1 289 44 44 TYR N N 117.7 0.3 1 290 46 46 ASN H H 8.64 0.02 1 291 46 46 ASN HA H 4.34 0.02 1 292 46 46 ASN HB2 H 2.86 0.02 2 293 46 46 ASN HB3 H 2.83 0.02 2 294 46 46 ASN HD21 H 7.81 0.02 1 295 46 46 ASN HD22 H 6.72 0.02 1 296 46 46 ASN C C 177.8 0.3 1 297 46 46 ASN CA C 55.1 0.3 1 298 46 46 ASN CB C 37.2 0.3 1 299 46 46 ASN N N 117.7 0.3 1 300 46 46 ASN ND2 N 110.9 0.3 1 301 47 47 CYS H H 8.28 0.02 1 302 47 47 CYS HA H 2.62 0.02 1 303 47 47 CYS HB2 H 3.16 0.02 2 304 47 47 CYS HB3 H 2.51 0.02 2 305 47 47 CYS C C 175.5 0.3 1 306 47 47 CYS CA C 59.6 0.3 1 307 47 47 CYS CB C 41.8 0.3 1 308 47 47 CYS N N 124.8 0.3 1 309 48 48 ARG H H 8.00 0.02 1 310 48 48 ARG HA H 3.69 0.02 1 311 48 48 ARG HB2 H 1.53 0.02 1 312 48 48 ARG HG2 H 1.53 0.02 1 313 48 48 ARG HD2 H 3.00 0.02 2 314 48 48 ARG HD3 H 2.90 0.02 2 315 48 48 ARG C C 179.6 0.3 1 316 48 48 ARG CA C 57.2 0.3 1 317 48 48 ARG CB C 28.2 0.3 1 318 48 48 ARG CG C 26.3 0.3 1 319 48 48 ARG CD C 42.1 0.3 1 320 48 48 ARG N N 121.1 0.3 1 321 49 49 ARG H H 8.15 0.02 1 322 49 49 ARG HA H 3.88 0.02 1 323 49 49 ARG HB2 H 1.78 0.02 2 324 49 49 ARG HB3 H 1.78 0.02 2 325 49 49 ARG HG2 H 1.70 0.02 2 326 49 49 ARG HG3 H 1.53 0.02 2 327 49 49 ARG HD2 H 3.09 0.02 1 328 49 49 ARG C C 178.9 0.3 1 329 49 49 ARG CA C 59.4 0.3 1 330 49 49 ARG CB C 29.8 0.3 1 331 49 49 ARG CG C 27.3 0.3 1 332 49 49 ARG CD C 43.1 0.3 1 333 49 49 ARG N N 118.8 0.3 1 334 50 50 PHE H H 7.89 0.02 1 335 50 50 PHE HA H 3.94 0.02 1 336 50 50 PHE HB2 H 3.02 0.02 2 337 50 50 PHE HB3 H 2.70 0.02 2 338 50 50 PHE HZ H 6.59 0.02 1 339 50 50 PHE C C 178.3 0.3 1 340 50 50 PHE CA C 61.8 0.3 1 341 50 50 PHE CB C 38.2 0.3 1 342 50 50 PHE N N 121.0 0.3 1 343 51 51 TRP H H 8.06 0.02 1 344 51 51 TRP HA H 4.21 0.02 1 345 51 51 TRP HB2 H 3.17 0.02 2 346 51 51 TRP HB3 H 3.06 0.02 2 347 51 51 TRP HD1 H 7.53 0.02 1 348 51 51 TRP HE1 H 10.64 0.02 1 349 51 51 TRP HE3 H 7.38 0.02 1 350 51 51 TRP HZ2 H 7.70 0.02 1 351 51 51 TRP HZ3 H 7.37 0.02 1 352 51 51 TRP HH2 H 7.04 0.02 1 353 51 51 TRP C C 178.2 0.3 1 354 51 51 TRP CA C 59.9 0.3 1 355 51 51 TRP CB C 28.8 0.3 1 356 51 51 TRP N N 118.9 0.3 1 357 51 51 TRP NE1 N 128.8 0.3 1 358 52 52 ASN H H 8.55 0.02 1 359 52 52 ASN HA H 4.47 0.02 1 360 52 52 ASN HB2 H 2.86 0.02 2 361 52 52 ASN HB3 H 2.71 0.02 2 362 52 52 ASN HD21 H 6.80 0.02 1 363 52 52 ASN HD22 H 7.64 0.02 1 364 52 52 ASN C C 178.0 0.3 1 365 52 52 ASN CA C 55.9 0.3 1 366 52 52 ASN CB C 37.5 0.3 1 367 52 52 ASN N N 118.4 0.3 1 368 52 52 ASN ND2 N 111.8 0.3 1 369 53 53 SER H H 7.57 0.02 1 370 53 53 SER HA H 3.80 0.02 1 371 53 53 SER HB2 H 4.14 0.02 2 372 53 53 SER HB3 H 3.82 0.02 2 373 53 53 SER C C 176.5 0.3 1 374 53 53 SER CA C 62.1 0.3 1 375 53 53 SER CB C 61.4 0.3 1 376 53 53 SER N N 116.0 0.3 1 377 54 54 ILE H H 7.02 0.02 1 378 54 54 ILE HA H 3.67 0.02 1 379 54 54 ILE HB H 2.28 0.02 1 380 54 54 ILE HG12 H 0.67 0.02 2 381 54 54 ILE HG13 H 0.79 0.02 2 382 54 54 ILE HG2 H 1.02 0.02 1 383 54 54 ILE HD1 H 0.26 0.02 1 384 54 54 ILE C C 178.1 0.3 1 385 54 54 ILE CA C 62.2 0.3 1 386 54 54 ILE CB C 35.9 0.3 1 387 54 54 ILE CG1 C 26.5 0.3 1 388 54 54 ILE CG2 C 17.0 0.3 1 389 54 54 ILE CD1 C 8.8 0.3 1 390 54 54 ILE N N 124.7 0.3 1 391 55 55 VAL H H 8.54 0.02 1 392 55 55 VAL HA H 3.88 0.02 1 393 55 55 VAL HB H 2.17 0.02 1 394 55 55 VAL HG1 H 0.82 0.02 1 395 55 55 VAL HG2 H 1.27 0.02 1 396 55 55 VAL C C 178.3 0.3 1 397 55 55 VAL CA C 65.7 0.3 1 398 55 55 VAL CB C 31.5 0.3 1 399 55 55 VAL CG1 C 20.8 0.3 1 400 55 55 VAL CG2 C 22.6 0.3 1 401 55 55 VAL N N 121.6 0.3 1 402 56 56 MET H H 7.86 0.02 1 403 56 56 MET HA H 3.92 0.02 1 404 56 56 MET HB2 H 2.09 0.02 2 405 56 56 MET HB3 H 2.00 0.02 2 406 56 56 MET HG2 H 2.61 0.02 2 407 56 56 MET HG3 H 2.51 0.02 2 408 56 56 MET HE H 1.96 0.02 1 409 56 56 MET C C 179.2 0.3 1 410 56 56 MET CA C 58.4 0.3 1 411 56 56 MET CB C 31.8 0.3 1 412 56 56 MET CG C 31.5 0.3 1 413 56 56 MET CE C 16.8 0.3 1 414 56 56 MET N N 116.3 0.3 1 415 57 57 GLN H H 7.61 0.02 1 416 57 57 GLN HA H 3.91 0.02 1 417 57 57 GLN HB2 H 2.12 0.02 1 418 57 57 GLN HG2 H 2.39 0.02 2 419 57 57 GLN HG3 H 2.26 0.02 2 420 57 57 GLN HE21 H 7.56 0.02 1 421 57 57 GLN HE22 H 6.88 0.02 1 422 57 57 GLN C C 178.3 0.3 1 423 57 57 GLN CA C 59.0 0.3 1 424 57 57 GLN CB C 28.4 0.3 1 425 57 57 GLN CG C 33.4 0.3 1 426 57 57 GLN N N 119.9 0.3 1 427 57 57 GLN NE2 N 112.2 0.3 1 428 58 58 ARG H H 8.48 0.02 1 429 58 58 ARG HA H 3.90 0.02 1 430 58 58 ARG HB2 H 2.82 0.02 2 431 58 58 ARG HB3 H 2.16 0.02 2 432 58 58 ARG HG2 H 1.92 0.02 2 433 58 58 ARG HG3 H 1.38 0.02 2 434 58 58 ARG HD2 H 3.49 0.02 2 435 58 58 ARG HD3 H 3.23 0.02 2 436 58 58 ARG C C 179.3 0.3 1 437 58 58 ARG CA C 60.1 0.3 1 438 58 58 ARG CB C 29.5 0.3 1 439 58 58 ARG CG C 29.6 0.3 1 440 58 58 ARG CD C 44.3 0.3 1 441 58 58 ARG N N 121.5 0.3 1 442 59 59 ARG H H 8.65 0.02 1 443 59 59 ARG HA H 3.33 0.02 1 444 59 59 ARG HB2 H 1.39 0.02 2 445 59 59 ARG HB3 H 1.17 0.02 2 446 59 59 ARG HG2 H 0.91 0.02 2 447 59 59 ARG HG3 H 0.49 0.02 2 448 59 59 ARG HD2 H 2.71 0.02 1 449 59 59 ARG C C 179.8 0.3 1 450 59 59 ARG CA C 59.1 0.3 1 451 59 59 ARG CB C 29.5 0.3 1 452 59 59 ARG CG C 26.7 0.3 1 453 59 59 ARG CD C 43.1 0.3 1 454 59 59 ARG N N 119.0 0.3 1 455 60 60 LYS H H 7.70 0.02 1 456 60 60 LYS HA H 3.87 0.02 1 457 60 60 LYS HB2 H 1.80 0.02 1 458 60 60 LYS HG2 H 1.39 0.02 2 459 60 60 LYS HG3 H 1.30 0.02 2 460 60 60 LYS HD2 H 1.53 0.02 1 461 60 60 LYS HE2 H 2.85 0.02 1 462 60 60 LYS C C 178.0 0.3 1 463 60 60 LYS CA C 58.9 0.3 1 464 60 60 LYS CB C 31.8 0.3 1 465 60 60 LYS CG C 24.4 0.3 1 466 60 60 LYS CD C 29.2 0.3 1 467 60 60 LYS CE C 41.8 0.3 1 468 60 60 LYS N N 120.0 0.3 1 469 61 61 ASN H H 7.73 0.02 1 470 61 61 ASN HA H 4.68 0.02 1 471 61 61 ASN HB2 H 2.92 0.02 2 472 61 61 ASN HB3 H 2.62 0.02 2 473 61 61 ASN HD21 H 7.53 0.02 1 474 61 61 ASN HD22 H 6.88 0.02 1 475 61 61 ASN C C 175.1 0.3 1 476 61 61 ASN CA C 53.1 0.3 1 477 61 61 ASN CB C 39.1 0.3 1 478 61 61 ASN N N 114.1 0.3 1 479 61 61 ASN ND2 N 112.2 0.3 1 480 62 62 GLY H H 7.85 0.02 1 481 62 62 GLY HA2 H 3.99 0.02 2 482 62 62 GLY HA3 H 3.83 0.02 2 483 62 62 GLY C C 174.0 0.3 1 484 62 62 GLY CA C 46.6 0.3 1 485 62 62 GLY N N 110.9 0.3 1 486 63 63 VAL H H 8.54 0.02 1 487 63 63 VAL HA H 3.76 0.02 1 488 63 63 VAL HB H 1.76 0.02 1 489 63 63 VAL HG1 H 0.81 0.02 1 490 63 63 VAL HG2 H 0.74 0.02 1 491 63 63 VAL C C 172.6 0.3 1 492 63 63 VAL CA C 62.4 0.3 1 493 63 63 VAL CB C 32.1 0.3 1 494 63 63 VAL CG1 C 20.7 0.3 1 495 63 63 VAL CG2 C 20.0 0.3 1 496 63 63 VAL N N 124.1 0.3 1 497 64 64 LYS H H 7.67 0.02 1 498 64 64 LYS HA H 3.99 0.02 1 499 64 64 LYS HB2 H 1.30 0.02 1 500 64 64 LYS HG2 H 1.04 0.02 2 501 64 64 LYS HG3 H 0.56 0.02 2 502 64 64 LYS HD2 H 1.30 0.02 1 503 64 64 LYS HE2 H 2.69 0.02 1 504 64 64 LYS C C 175.6 0.3 1 505 64 64 LYS CA C 52.7 0.3 1 506 64 64 LYS CB C 33.1 0.3 1 507 64 64 LYS CG C 25.1 0.3 1 508 64 64 LYS CD C 29.0 0.3 1 509 64 64 LYS CE C 41.5 0.3 1 510 64 64 LYS N N 122.1 0.3 1 511 65 65 PRO HA H 4.14 0.02 1 512 65 65 PRO HB2 H 2.11 0.02 2 513 65 65 PRO HB3 H 2.08 0.02 2 514 65 65 PRO HG2 H 2.04 0.02 2 515 65 65 PRO HG3 H 1.80 0.02 2 516 65 65 PRO HD2 H 3.56 0.02 2 517 65 65 PRO HD3 H 3.23 0.02 2 518 65 65 PRO CA C 61.3 0.3 1 519 65 65 PRO CB C 32.7 0.3 1 520 65 65 PRO CG C 24.7 0.3 1 521 65 65 PRO CD C 49.7 0.3 1 522 66 66 PHE H H 8.16 0.02 1 523 66 66 PHE HA H 4.58 0.02 1 524 66 66 PHE HB2 H 3.32 0.02 2 525 66 66 PHE HB3 H 2.87 0.02 2 526 66 66 PHE HZ H 7.24 0.02 1 527 66 66 PHE C C 176.1 0.3 1 528 66 66 PHE CA C 59.0 0.3 1 529 66 66 PHE CB C 37.0 0.3 1 530 66 66 PHE N N 123.5 0.3 1 531 67 67 MET H H 7.83 0.02 1 532 67 67 MET HA H 5.11 0.02 1 533 67 67 MET HB2 H 2.03 0.02 2 534 67 67 MET HB3 H 1.88 0.02 2 535 67 67 MET HG2 H 2.50 0.02 2 536 67 67 MET HG3 H 2.18 0.02 2 537 67 67 MET HE H 1.90 0.02 1 538 67 67 MET C C 173.3 0.3 1 539 67 67 MET CA C 50.3 0.3 1 540 67 67 MET CB C 29.9 0.3 1 541 67 67 MET CG C 31.3 0.3 1 542 67 67 MET CE C 16.3 0.3 1 543 67 67 MET N N 114.7 0.3 1 544 68 68 PRO HA H 4.25 0.02 1 545 68 68 PRO HB2 H 1.99 0.02 2 546 68 68 PRO HB3 H 1.72 0.02 2 547 68 68 PRO HG2 H 1.79 0.02 2 548 68 68 PRO HG3 H 1.60 0.02 2 549 68 68 PRO HD2 H 4.06 0.02 2 550 68 68 PRO HD3 H 3.81 0.02 2 551 68 68 PRO CA C 61.9 0.3 1 552 68 68 PRO CB C 30.8 0.3 1 553 68 68 PRO CG C 27.0 0.3 1 554 68 68 PRO CD C 50.2 0.3 1 555 69 69 THR H H 8.26 0.02 1 556 69 69 THR HA H 4.03 0.02 1 557 69 69 THR HB H 4.49 0.02 1 558 69 69 THR HG2 H 1.25 0.02 1 559 69 69 THR C C 175.0 0.3 1 560 69 69 THR CA C 61.1 0.3 1 561 69 69 THR CB C 70.4 0.3 1 562 69 69 THR CG2 C 22.0 0.3 1 563 69 69 THR N N 111.1 0.3 1 564 70 70 ALA H H 8.90 0.02 1 565 70 70 ALA HA H 3.52 0.02 1 566 70 70 ALA HB H 1.27 0.02 1 567 70 70 ALA C C 179.9 0.3 1 568 70 70 ALA CA C 56.3 0.3 1 569 70 70 ALA CB C 17.4 0.3 1 570 70 70 ALA N N 123.1 0.3 1 571 71 71 ALA H H 8.51 0.02 1 572 71 71 ALA HA H 4.06 0.02 1 573 71 71 ALA HB H 1.29 0.02 1 574 71 71 ALA C C 180.8 0.3 1 575 71 71 ALA CA C 54.5 0.3 1 576 71 71 ALA CB C 17.7 0.3 1 577 71 71 ALA N N 118.6 0.3 1 578 72 72 GLU H H 7.18 0.02 1 579 72 72 GLU HA H 4.02 0.02 1 580 72 72 GLU HB2 H 2.08 0.02 2 581 72 72 GLU HB3 H 1.84 0.02 2 582 72 72 GLU HG2 H 2.34 0.02 2 583 72 72 GLU HG3 H 2.18 0.02 2 584 72 72 GLU C C 179.7 0.3 1 585 72 72 GLU CA C 58.7 0.3 1 586 72 72 GLU CB C 30.1 0.3 1 587 72 72 GLU CG C 36.9 0.3 1 588 72 72 GLU N N 118.7 0.3 1 589 73 73 ARG H H 8.85 0.02 1 590 73 73 ARG HA H 4.02 0.02 1 591 73 73 ARG HB2 H 1.84 0.02 1 592 73 73 ARG HG2 H 1.58 0.02 2 593 73 73 ARG HG3 H 1.53 0.02 2 594 73 73 ARG HD2 H 2.72 0.02 1 595 73 73 ARG C C 178.2 0.3 1 596 73 73 ARG CA C 61.0 0.3 1 597 73 73 ARG CB C 28.2 0.3 1 598 73 73 ARG N N 119.1 0.3 1 599 74 74 ASP H H 7.70 0.02 1 600 74 74 ASP HA H 4.43 0.02 1 601 74 74 ASP HB2 H 2.61 0.02 2 602 74 74 ASP HB3 H 2.73 0.02 2 603 74 74 ASP C C 178.9 0.3 1 604 74 74 ASP CA C 57.4 0.3 1 605 74 74 ASP CB C 40.2 0.3 1 606 74 74 ASP N N 117.9 0.3 1 607 75 75 GLU H H 7.20 0.02 1 608 75 75 GLU HA H 4.02 0.02 1 609 75 75 GLU HB2 H 2.19 0.02 2 610 75 75 GLU HB3 H 2.13 0.02 2 611 75 75 GLU HG2 H 2.34 0.02 2 612 75 75 GLU HG3 H 2.24 0.02 2 613 75 75 GLU C C 179.4 0.3 1 614 75 75 GLU CA C 58.5 0.3 1 615 75 75 GLU CB C 29.0 0.3 1 616 75 75 GLU CG C 35.7 0.3 1 617 75 75 GLU N N 119.3 0.3 1 618 76 76 ILE H H 8.36 0.02 1 619 76 76 ILE HA H 3.75 0.02 1 620 76 76 ILE HB H 2.27 0.02 1 621 76 76 ILE HG12 H 1.97 0.02 2 622 76 76 ILE HG13 H 1.17 0.02 2 623 76 76 ILE HG2 H 1.03 0.02 1 624 76 76 ILE HD1 H 1.02 0.02 1 625 76 76 ILE C C 178.8 0.3 1 626 76 76 ILE CA C 65.2 0.3 1 627 76 76 ILE CB C 38.8 0.3 1 628 76 76 ILE CG1 C 29.6 0.3 1 629 76 76 ILE CG2 C 16.5 0.3 1 630 76 76 ILE CD1 C 15.0 0.3 1 631 76 76 ILE N N 122.8 0.3 1 632 77 77 LEU H H 8.59 0.02 1 633 77 77 LEU HA H 4.00 0.02 1 634 77 77 LEU HB2 H 2.04 0.02 2 635 77 77 LEU HB3 H 1.37 0.02 2 636 77 77 LEU HG H 2.16 0.02 1 637 77 77 LEU HD1 H 1.10 0.02 1 638 77 77 LEU HD2 H 0.69 0.02 1 639 77 77 LEU C C 180.1 0.3 1 640 77 77 LEU CA C 57.6 0.3 1 641 77 77 LEU CB C 41.4 0.3 1 642 77 77 LEU CG C 26.9 0.3 1 643 77 77 LEU CD1 C 25.3 0.3 1 644 77 77 LEU CD2 C 22.3 0.3 1 645 77 77 LEU N N 118.2 0.3 1 646 78 78 ARG H H 7.91 0.02 1 647 78 78 ARG HA H 3.97 0.02 1 648 78 78 ARG HB2 H 1.88 0.02 2 649 78 78 ARG HB3 H 1.81 0.02 2 650 78 78 ARG HG2 H 1.72 0.02 2 651 78 78 ARG HG3 H 1.54 0.02 2 652 78 78 ARG HD2 H 3.14 0.02 2 653 78 78 ARG HD3 H 3.11 0.02 2 654 78 78 ARG C C 178.7 0.3 1 655 78 78 ARG CA C 58.8 0.3 1 656 78 78 ARG CB C 29.9 0.3 1 657 78 78 ARG CG C 27.4 0.3 1 658 78 78 ARG CD C 43.1 0.3 1 659 78 78 ARG N N 119.4 0.3 1 660 79 79 ALA H H 7.66 0.02 1 661 79 79 ALA HA H 4.10 0.02 1 662 79 79 ALA HB H 1.45 0.02 1 663 79 79 ALA C C 179.4 0.3 1 664 79 79 ALA CA C 53.6 0.3 1 665 79 79 ALA CB C 18.2 0.3 1 666 79 79 ALA N N 120.1 0.3 1 667 80 80 VAL H H 7.49 0.02 1 668 80 80 VAL HA H 3.90 0.02 1 669 80 80 VAL HB H 2.19 0.02 1 670 80 80 VAL HG1 H 1.00 0.02 1 671 80 80 VAL HG2 H 0.91 0.02 1 672 80 80 VAL C C 177.1 0.3 1 673 80 80 VAL CA C 63.7 0.3 1 674 80 80 VAL CB C 31.5 0.3 1 675 80 80 VAL CG1 C 20.9 0.3 1 676 80 80 VAL CG2 C 21.4 0.3 1 677 80 80 VAL N N 115.4 0.3 1 678 81 81 GLY H H 7.45 0.02 1 679 81 81 GLY HA2 H 3.42 0.02 2 680 81 81 GLY HA3 H 4.11 0.02 2 681 81 81 GLY C C 173.3 0.3 1 682 81 81 GLY CA C 45.3 0.3 1 683 81 81 GLY N N 107.5 0.3 1 684 82 82 ASN H H 7.86 0.02 1 685 82 82 ASN HA H 4.39 0.02 1 686 82 82 ASN HB2 H 2.55 0.02 2 687 82 82 ASN HB3 H 2.49 0.02 2 688 82 82 ASN HD21 H 7.34 0.02 1 689 82 82 ASN HD22 H 6.72 0.02 1 690 82 82 ASN C C 174.3 0.3 1 691 82 82 ASN CA C 52.1 0.3 1 692 82 82 ASN CB C 39.0 0.3 1 693 82 82 ASN N N 120.4 0.3 1 694 82 82 ASN ND2 N 112.7 0.3 1 695 83 83 MET H H 8.37 0.02 1 696 83 83 MET HA H 4.34 0.02 1 697 83 83 MET HB2 H 1.74 0.02 1 698 83 83 MET HG2 H 2.33 0.02 1 699 83 83 MET HE H 1.62 0.02 1 700 83 83 MET C C 176.5 0.3 1 701 83 83 MET CA C 52.5 0.3 1 702 83 83 MET CB C 30.9 0.3 1 703 83 83 MET CG C 32.0 0.3 1 704 83 83 MET CE C 15.7 0.3 1 705 83 83 MET N N 121.8 0.3 1 706 84 84 PRO HA H 4.15 0.02 1 707 84 84 PRO HB2 H 1.72 0.02 2 708 84 84 PRO HB3 H 1.45 0.02 2 709 84 84 PRO HG2 H 0.68 0.02 2 710 84 84 PRO HG3 H 0.77 0.02 2 711 84 84 PRO HD2 H 2.96 0.02 2 712 84 84 PRO HD3 H 3.42 0.02 2 713 84 84 PRO CA C 62.8 0.3 1 714 84 84 PRO CB C 31.0 0.3 1 715 84 84 PRO CG C 25.4 0.3 1 716 84 84 PRO CD C 50.0 0.3 1 717 85 85 TYR H H 6.40 0.02 1 718 85 85 TYR HA H 4.13 0.02 1 719 85 85 TYR HB2 H 2.91 0.02 2 720 85 85 TYR HB3 H 2.57 0.02 2 721 85 85 TYR C C 179.1 0.3 1 722 85 85 TYR CA C 56.5 0.3 1 723 85 85 TYR CB C 38.9 0.3 1 724 85 85 TYR N N 119.8 0.3 1 stop_ save_