data_18318 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of CHCH5 ; _BMRB_accession_number 18318 _BMRB_flat_file_name bmr18318.str _Entry_type original _Submission_date 2012-03-09 _Accession_date 2012-03-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of CHCH5 by NMR' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Peruzzini Riccardo . . 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" 271 "13C chemical shifts" 264 "15N chemical shifts" 73 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 CHCH5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CHCH5 $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 9607.965 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSHMQAALEVTARYCGRELE QYGQCVAAKPESWQRDCHYL KMSIAQCTSSHPIIRQIRQA CAQPFEAFEECLRQNEAAVG NCAEHMRRFLQCAEQVQPPR SPATVEAQPLPAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 . HIS 4 . MET 5 . GLN 6 . ALA 7 . ALA 8 . LEU 9 . GLU 10 . VAL 11 . THR 12 . ALA 13 . ARG 14 11 TYR 15 12 CYS 16 13 GLY 17 14 ARG 18 15 GLU 19 16 LEU 20 17 GLU 21 18 GLN 22 19 TYR 23 20 GLY 24 21 GLN 25 22 CYS 26 23 VAL 27 24 ALA 28 25 ALA 29 26 LYS 30 27 PRO 31 28 GLU 32 29 SER 33 30 TRP 34 31 GLN 35 32 ARG 36 33 ASP 37 34 CYS 38 35 HIS 39 36 TYR 40 37 LEU 41 38 LYS 42 39 MET 43 40 SER 44 41 ILE 45 42 ALA 46 43 GLN 47 44 CYS 48 45 THR 49 46 SER 50 47 SER 51 48 HIS 52 49 PRO 53 50 ILE 54 51 ILE 55 52 ARG 56 53 GLN 57 54 ILE 58 55 ARG 59 56 GLN 60 57 ALA 61 58 CYS 62 59 ALA 63 60 GLN 64 61 PRO 65 62 PHE 66 63 GLU 67 64 ALA 68 65 PHE 69 66 GLU 70 67 GLU 71 68 CYS 72 69 LEU 73 70 ARG 74 71 GLN 75 72 ASN 76 73 GLU 77 74 ALA 78 75 ALA 79 76 VAL 80 77 GLY 81 78 ASN 82 79 CYS 83 80 ALA 84 81 GLU 85 82 HIS 86 83 MET 87 84 ARG 88 85 ARG 89 86 PHE 90 87 LEU 91 88 GLN 92 89 CYS 93 90 ALA 94 91 GLU 95 92 GLN 96 93 VAL 97 . GLN 98 . PRO 99 . PRO 100 . ARG 101 . SER 102 . PRO 103 . ALA 104 . THR 105 . VAL 106 . GLU 107 . ALA 108 . GLN 109 . PRO 110 . LEU 111 . PRO 112 . ALA 113 . SER 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 2LQL "Solution Structure Of Chch5" 100.00 113 100.00 100.00 2.47e-75 DBJ BAC04922 "unnamed protein product [Homo sapiens]" 92.92 158 98.10 99.05 1.10e-67 DBJ BAG35152 "unnamed protein product [Homo sapiens]" 97.35 110 99.09 99.09 5.99e-71 GB AAH04498 "Coiled-coil-helix-coiled-coil-helix domain containing 5 [Homo sapiens]" 97.35 110 100.00 100.00 1.41e-72 GB AAX82000 "unknown [Homo sapiens]" 97.35 110 100.00 100.00 1.41e-72 GB AIC52539 "CHCHD5, partial [synthetic construct]" 97.35 110 100.00 100.00 1.41e-72 GB EAW73594 "coiled-coil-helix-coiled-coil-helix domain containing 5, isoform CRA_a [Homo sapiens]" 97.35 110 100.00 100.00 1.41e-72 GB EAW73595 "coiled-coil-helix-coiled-coil-helix domain containing 5, isoform CRA_b [Homo sapiens]" 63.72 72 100.00 100.00 6.21e-42 REF NP_001291282 "coiled-coil-helix-coiled-coil-helix domain-containing protein 5 isoform b [Homo sapiens]" 63.72 72 100.00 100.00 6.21e-42 REF NP_001291283 "coiled-coil-helix-coiled-coil-helix domain-containing protein 5 isoform b [Homo sapiens]" 63.72 72 100.00 100.00 6.21e-42 REF NP_115685 "coiled-coil-helix-coiled-coil-helix domain-containing protein 5 isoform a [Homo sapiens]" 97.35 110 100.00 100.00 1.41e-72 REF XP_002811830 "PREDICTED: coiled-coil-helix-coiled-coil-helix domain-containing protein 5 isoform X2 [Pongo abelii]" 97.35 110 100.00 100.00 1.41e-72 REF XP_003277729 "PREDICTED: coiled-coil-helix-coiled-coil-helix domain-containing protein 5 isoform X3 [Nomascus leucogenys]" 97.35 110 98.18 98.18 5.49e-71 SP Q9BSY4 "RecName: Full=Coiled-coil-helix-coiled-coil-helix domain-containing protein 5" 97.35 110 100.00 100.00 1.41e-72 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 $entity Human 9606 Eukaryota Metazoa Homo sapiens CHCHD5 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 $entity 'recombinant technology' . Escherichia coli BL21-Origami(DE3) pET15 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5-1 mM '[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 _Isotopic_labeling $entity 0.5-1 mM '[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_CANDID _Saveframe_category software _Name CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 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_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_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_WhatIF _Saveframe_category software _Name WhatIF _Version . loop_ _Vendor _Address _Electronic_address Vriend . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task 'data analysis' 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 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_13 _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 308 . 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 carbon' ppm 69.3 external indirect . . . 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 '3D HNCACB' '3D HNCO' '3D HNCA' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name CHCH5 _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 11 14 TYR H H 8.25 0.02 1 2 11 14 TYR HA H 4.10 0.02 1 3 11 14 TYR C C 178.9 0.3 1 4 11 14 TYR CA C 57.7 0.3 1 5 11 14 TYR CB C 40.8 0.3 1 6 11 14 TYR N N 120.4 0.3 1 7 12 15 CYS H H 8.28 0.02 1 8 12 15 CYS C C 175.5 0.3 1 9 12 15 CYS CA C 53.7 0.3 1 10 12 15 CYS CB C 36.7 0.3 1 11 12 15 CYS N N 117.5 0.3 1 12 13 16 GLY H H 8.08 0.02 1 13 13 16 GLY HA2 H 4.04 0.02 2 14 13 16 GLY HA3 H 3.73 0.02 2 15 13 16 GLY C C 176.6 0.3 1 16 13 16 GLY CA C 47.9 0.3 1 17 13 16 GLY N N 108.7 0.3 1 18 14 17 ARG H H 8.63 0.02 1 19 14 17 ARG HA H 3.96 0.02 1 20 14 17 ARG HB2 H 1.90 0.02 2 21 14 17 ARG HB3 H 1.79 0.02 2 22 14 17 ARG HG2 H 1.73 0.02 2 23 14 17 ARG HG3 H 1.58 0.02 2 24 14 17 ARG C C 179.3 0.3 1 25 14 17 ARG CA C 59.2 0.3 1 26 14 17 ARG CB C 29.1 0.3 1 27 14 17 ARG CG C 25.4 0.3 1 28 14 17 ARG CD C 40.7 0.3 1 29 14 17 ARG N N 123.3 0.3 1 30 15 18 GLU H H 9.67 0.02 1 31 15 18 GLU HA H 4.17 0.02 1 32 15 18 GLU HB2 H 2.05 0.02 2 33 15 18 GLU HB3 H 1.89 0.02 2 34 15 18 GLU C C 177.9 0.3 1 35 15 18 GLU CA C 61.1 0.3 1 36 15 18 GLU CB C 28.2 0.3 1 37 15 18 GLU CG C 33.3 0.3 1 38 15 18 GLU N N 121.9 0.3 1 39 16 19 LEU H H 8.09 0.02 1 40 16 19 LEU CA C 59.9 0.3 1 41 16 19 LEU N N 119.4 0.3 1 42 17 20 GLU HA H 3.68 0.02 1 43 17 20 GLU C C 177.2 0.3 1 44 17 20 GLU CA C 59.3 0.3 1 45 17 20 GLU CB C 29.0 0.3 1 46 18 21 GLN H H 8.56 0.02 1 47 18 21 GLN HA H 4.04 0.02 1 48 18 21 GLN HB2 H 2.07 0.02 2 49 18 21 GLN HB3 H 1.96 0.02 2 50 18 21 GLN HG2 H 2.51 0.02 2 51 18 21 GLN HG3 H 2.43 0.02 2 52 18 21 GLN C C 177.2 0.3 1 53 18 21 GLN CA C 59.0 0.3 1 54 18 21 GLN CB C 28.7 0.3 1 55 18 21 GLN CG C 31.1 0.3 1 56 18 21 GLN N N 118.5 0.3 1 57 19 22 TYR H H 8.12 0.02 1 58 19 22 TYR HA H 4.28 0.02 1 59 19 22 TYR HB2 H 3.18 0.02 2 60 19 22 TYR HB3 H 3.08 0.02 2 61 19 22 TYR C C 176.6 0.3 1 62 19 22 TYR CA C 62.1 0.3 1 63 19 22 TYR CB C 38.9 0.3 1 64 19 22 TYR N N 120.7 0.3 1 65 20 23 GLY H H 8.39 0.02 1 66 20 23 GLY C C 176.7 0.3 1 67 20 23 GLY CA C 47.1 0.3 1 68 20 23 GLY N N 105.6 0.3 1 69 21 24 GLN H H 8.13 0.02 1 70 21 24 GLN HA H 4.05 0.02 1 71 21 24 GLN HB2 H 2.22 0.02 2 72 21 24 GLN HB3 H 2.13 0.02 2 73 21 24 GLN HG2 H 2.52 0.02 2 74 21 24 GLN HG3 H 2.44 0.02 2 75 21 24 GLN C C 178.0 0.3 1 76 21 24 GLN CA C 58.6 0.3 1 77 21 24 GLN CB C 27.6 0.3 1 78 21 24 GLN CG C 31.5 0.3 1 79 21 24 GLN N N 120.3 0.3 1 80 22 25 CYS H H 7.61 0.02 1 81 22 25 CYS HA H 4.28 0.02 1 82 22 25 CYS HB2 H 3.06 0.02 2 83 22 25 CYS HB3 H 3.32 0.02 2 84 22 25 CYS C C 175.4 0.3 1 85 22 25 CYS CA C 60.6 0.3 1 86 22 25 CYS CB C 39.9 0.3 1 87 22 25 CYS N N 121.5 0.3 1 88 23 26 VAL H H 8.04 0.02 1 89 23 26 VAL HA H 3.79 0.02 1 90 23 26 VAL HB H 2.11 0.02 1 91 23 26 VAL HG1 H 1.06 0.02 1 92 23 26 VAL HG2 H 0.88 0.02 1 93 23 26 VAL C C 177.1 0.3 1 94 23 26 VAL CA C 65.9 0.3 1 95 23 26 VAL CB C 29.3 0.3 1 96 23 26 VAL N N 119.9 0.3 1 97 24 27 ALA H H 7.43 0.02 1 98 24 27 ALA HA H 4.10 0.02 1 99 24 27 ALA HB H 1.53 0.02 1 100 24 27 ALA C C 178.6 0.3 1 101 24 27 ALA CA C 54.1 0.3 1 102 24 27 ALA CB C 17.9 0.3 1 103 24 27 ALA N N 117.4 0.3 1 104 25 28 ALA H H 7.12 0.02 1 105 25 28 ALA HA H 4.33 0.02 1 106 25 28 ALA HB H 1.65 0.02 1 107 25 28 ALA C C 178.1 0.3 1 108 25 28 ALA CA C 52.6 0.3 1 109 25 28 ALA CB C 19.1 0.3 1 110 25 28 ALA N N 116.1 0.3 1 111 26 29 LYS H H 7.56 0.02 1 112 26 29 LYS CA C 58.7 0.3 1 113 26 29 LYS CB C 32.1 0.3 1 114 26 29 LYS N N 119.2 0.3 1 115 27 30 PRO HA H 4.21 0.02 1 116 27 30 PRO C C 177.0 0.3 1 117 27 30 PRO CA C 65.9 0.3 1 118 27 30 PRO CB C 31.6 0.3 1 119 28 31 GLU H H 8.77 0.02 1 120 28 31 GLU HA H 4.45 0.02 1 121 28 31 GLU C C 176.1 0.3 1 122 28 31 GLU CA C 57.2 0.3 1 123 28 31 GLU CB C 29.6 0.3 1 124 28 31 GLU CG C 33.4 0.3 1 125 28 31 GLU N N 114.6 0.3 1 126 29 32 SER H H 7.75 0.02 1 127 29 32 SER HA H 4.51 0.02 1 128 29 32 SER C C 176.6 0.3 1 129 29 32 SER CA C 58.5 0.3 1 130 29 32 SER CB C 63.8 0.3 1 131 29 32 SER N N 111.0 0.3 1 132 30 33 TRP H H 7.82 0.02 1 133 30 33 TRP C C 177.2 0.3 1 134 30 33 TRP CA C 60.0 0.3 1 135 30 33 TRP CB C 29.5 0.3 1 136 30 33 TRP N N 125.0 0.3 1 137 31 34 GLN H H 8.24 0.02 1 138 31 34 GLN HA H 4.45 0.02 1 139 31 34 GLN HB2 H 2.03 0.02 2 140 31 34 GLN HB3 H 1.92 0.02 2 141 31 34 GLN C C 176.8 0.3 1 142 31 34 GLN CA C 59.9 0.3 1 143 31 34 GLN CB C 26.5 0.3 1 144 31 34 GLN N N 123.6 0.3 1 145 32 35 ARG H H 7.45 0.02 1 146 32 35 ARG HA H 4.28 0.02 1 147 32 35 ARG HB2 H 1.77 0.02 2 148 32 35 ARG HB3 H 1.68 0.02 2 149 32 35 ARG C C 178.9 0.3 1 150 32 35 ARG CA C 57.4 0.3 1 151 32 35 ARG CB C 31.3 0.3 1 152 32 35 ARG CG C 24.3 0.3 1 153 32 35 ARG CD C 40.8 0.3 1 154 32 35 ARG N N 115.9 0.3 1 155 33 36 ASP H H 8.76 0.02 1 156 33 36 ASP HA H 4.14 0.02 1 157 33 36 ASP HB2 H 2.86 0.02 2 158 33 36 ASP HB3 H 2.48 0.02 2 159 33 36 ASP C C 177.6 0.3 1 160 33 36 ASP CA C 57.2 0.3 1 161 33 36 ASP CB C 40.9 0.3 1 162 33 36 ASP N N 117.7 0.3 1 163 34 37 CYS H H 8.26 0.02 1 164 34 37 CYS HA H 5.40 0.02 1 165 34 37 CYS HB2 H 3.52 0.02 2 166 34 37 CYS HB3 H 3.30 0.02 2 167 34 37 CYS C C 175.8 0.3 1 168 34 37 CYS CA C 53.1 0.3 1 169 34 37 CYS CB C 39.5 0.3 1 170 34 37 CYS N N 113.3 0.3 1 171 35 38 HIS H H 7.52 0.02 1 172 35 38 HIS HA H 4.35 0.02 1 173 35 38 HIS C C 177.4 0.3 1 174 35 38 HIS CA C 61.0 0.3 1 175 35 38 HIS CB C 30.6 0.3 1 176 35 38 HIS N N 124.2 0.3 1 177 36 39 TYR H H 8.93 0.02 1 178 36 39 TYR HA H 4.30 0.02 1 179 36 39 TYR C C 177.7 0.3 1 180 36 39 TYR CA C 60.6 0.3 1 181 36 39 TYR CB C 36.2 0.3 1 182 36 39 TYR N N 117.1 0.3 1 183 37 40 LEU H H 6.94 0.02 1 184 37 40 LEU HA H 4.17 0.02 1 185 37 40 LEU HD1 H 0.88 0.02 1 186 37 40 LEU HD2 H 0.77 0.02 1 187 37 40 LEU C C 179.4 0.3 1 188 37 40 LEU CA C 56.5 0.3 1 189 37 40 LEU CB C 42.4 0.3 1 190 37 40 LEU CG C 24.6 0.3 1 191 37 40 LEU CD1 C 22.1 0.3 1 192 37 40 LEU CD2 C 21.0 0.3 1 193 37 40 LEU N N 122.0 0.3 1 194 38 41 LYS H H 7.88 0.02 1 195 38 41 LYS C C 179.6 0.3 1 196 38 41 LYS CA C 59.6 0.3 1 197 38 41 LYS CB C 31.0 0.3 1 198 38 41 LYS N N 125.3 0.3 1 199 39 42 MET H H 8.09 0.02 1 200 39 42 MET HA H 4.12 0.02 1 201 39 42 MET C C 178.9 0.3 1 202 39 42 MET CA C 57.2 0.3 1 203 39 42 MET CB C 30.0 0.3 1 204 39 42 MET N N 117.6 0.3 1 205 40 43 SER H H 7.60 0.02 1 206 40 43 SER HA H 4.29 0.02 1 207 40 43 SER C C 177.4 0.3 1 208 40 43 SER CA C 61.7 0.3 1 209 40 43 SER CB C 62.5 0.3 1 210 40 43 SER N N 115.9 0.3 1 211 41 44 ILE H H 7.54 0.02 1 212 41 44 ILE HA H 3.54 0.02 1 213 41 44 ILE HB H 1.93 0.02 1 214 41 44 ILE HG2 H 0.84 0.02 1 215 41 44 ILE HD1 H 0.74 0.02 1 216 41 44 ILE C C 177.5 0.3 1 217 41 44 ILE CA C 66.1 0.3 1 218 41 44 ILE CB C 37.9 0.3 1 219 41 44 ILE CG1 C 26.2 0.3 1 220 41 44 ILE CG2 C 15.1 0.3 1 221 41 44 ILE CD1 C 12.3 0.3 1 222 41 44 ILE N N 121.9 0.3 1 223 42 45 ALA H H 7.42 0.02 1 224 42 45 ALA HA H 4.18 0.02 1 225 42 45 ALA HB H 1.50 0.02 1 226 42 45 ALA C C 180.2 0.3 1 227 42 45 ALA CA C 54.8 0.3 1 228 42 45 ALA CB C 17.3 0.3 1 229 42 45 ALA N N 122.6 0.3 1 230 43 46 GLN H H 8.29 0.02 1 231 43 46 GLN HA H 3.97 0.02 1 232 43 46 GLN HG2 H 2.60 0.02 2 233 43 46 GLN HG3 H 2.34 0.02 2 234 43 46 GLN C C 178.5 0.3 1 235 43 46 GLN CA C 58.7 0.3 1 236 43 46 GLN CB C 27.8 0.3 1 237 43 46 GLN CG C 31.6 0.3 1 238 43 46 GLN N N 118.4 0.3 1 239 44 47 CYS H H 7.59 0.02 1 240 44 47 CYS HA H 4.09 0.02 1 241 44 47 CYS HB2 H 3.34 0.02 2 242 44 47 CYS HB3 H 3.24 0.02 2 243 44 47 CYS C C 176.5 0.3 1 244 44 47 CYS CA C 60.3 0.3 1 245 44 47 CYS CB C 39.9 0.3 1 246 44 47 CYS N N 119.5 0.3 1 247 45 48 THR H H 8.81 0.02 1 248 45 48 THR C C 175.9 0.3 1 249 45 48 THR CA C 65.4 0.3 1 250 45 48 THR CB C 68.8 0.3 1 251 45 48 THR N N 113.0 0.3 1 252 46 49 SER H H 7.89 0.02 1 253 46 49 SER HA H 4.38 0.02 1 254 46 49 SER HB2 H 3.92 0.02 2 255 46 49 SER HB3 H 3.86 0.02 2 256 46 49 SER C C 175.6 0.3 1 257 46 49 SER CA C 60.0 0.3 1 258 46 49 SER CB C 63.9 0.3 1 259 46 49 SER N N 113.2 0.3 1 260 47 50 SER H H 7.77 0.02 1 261 47 50 SER HA H 4.39 0.02 1 262 47 50 SER HB2 H 3.92 0.02 2 263 47 50 SER HB3 H 3.87 0.02 2 264 47 50 SER CA C 59.1 0.3 1 265 47 50 SER CB C 64.8 0.3 1 266 47 50 SER N N 114.1 0.3 1 267 52 55 ARG HA H 4.59 0.02 1 268 52 55 ARG C C 178.5 0.3 1 269 52 55 ARG CA C 60.0 0.3 1 270 53 56 GLN H H 8.11 0.02 1 271 53 56 GLN C C 175.0 0.3 1 272 53 56 GLN CA C 60.2 0.3 1 273 53 56 GLN N N 117.7 0.3 1 274 54 57 ILE H H 7.82 0.02 1 275 54 57 ILE HA H 3.32 0.02 1 276 54 57 ILE HB H 1.90 0.02 1 277 54 57 ILE HG12 H 1.02 0.02 2 278 54 57 ILE HG13 H 0.96 0.02 2 279 54 57 ILE HG2 H 0.85 0.02 1 280 54 57 ILE HD1 H 0.82 0.02 1 281 54 57 ILE C C 178.7 0.3 1 282 54 57 ILE CA C 66.0 0.3 1 283 54 57 ILE CB C 37.7 0.3 1 284 54 57 ILE CG1 C 26.5 0.3 1 285 54 57 ILE CG2 C 15.1 0.3 1 286 54 57 ILE CD1 C 12.0 0.3 1 287 54 57 ILE N N 121.2 0.3 1 288 55 58 ARG H H 8.25 0.02 1 289 55 58 ARG HA H 4.31 0.02 1 290 55 58 ARG C C 178.6 0.3 1 291 55 58 ARG CA C 59.9 0.3 1 292 55 58 ARG CB C 31.5 0.3 1 293 55 58 ARG N N 118.9 0.3 1 294 56 59 GLN H H 7.92 0.02 1 295 56 59 GLN C C 178.1 0.3 1 296 56 59 GLN CA C 58.0 0.3 1 297 56 59 GLN CB C 28.8 0.3 1 298 56 59 GLN N N 115.8 0.3 1 299 57 60 ALA H H 8.49 0.02 1 300 57 60 ALA HA H 4.18 0.02 1 301 57 60 ALA HB H 1.63 0.02 1 302 57 60 ALA C C 179.6 0.3 1 303 57 60 ALA CA C 54.5 0.3 1 304 57 60 ALA CB C 18.9 0.3 1 305 57 60 ALA N N 121.6 0.3 1 306 58 61 CYS H H 8.37 0.02 1 307 58 61 CYS HA H 5.13 0.02 1 308 58 61 CYS HB2 H 2.89 0.02 2 309 58 61 CYS HB3 H 2.55 0.02 2 310 58 61 CYS C C 175.0 0.3 1 311 58 61 CYS CA C 52.7 0.3 1 312 58 61 CYS CB C 39.8 0.3 1 313 58 61 CYS N N 114.0 0.3 1 314 59 62 ALA H H 7.20 0.02 1 315 59 62 ALA HA H 4.27 0.02 1 316 59 62 ALA HB H 1.68 0.02 1 317 59 62 ALA C C 179.2 0.3 1 318 59 62 ALA CA C 56.5 0.3 1 319 59 62 ALA CB C 18.8 0.3 1 320 59 62 ALA N N 124.9 0.3 1 321 60 63 GLN H H 9.04 0.02 1 322 60 63 GLN HA H 4.48 0.02 1 323 60 63 GLN HB2 H 2.35 0.02 2 324 60 63 GLN HB3 H 2.25 0.02 2 325 60 63 GLN HG2 H 2.56 0.02 2 326 60 63 GLN HG3 H 2.48 0.02 2 327 60 63 GLN CA C 61.2 0.3 1 328 60 63 GLN CB C 24.7 0.3 1 329 60 63 GLN CG C 31.8 0.3 1 330 60 63 GLN N N 115.8 0.3 1 331 61 64 PRO C C 179.7 0.3 1 332 61 64 PRO CA C 65.6 0.3 1 333 61 64 PRO CB C 30.8 0.3 1 334 62 65 PHE H H 8.50 0.02 1 335 62 65 PHE HA H 4.28 0.02 1 336 62 65 PHE HB2 H 3.19 0.02 2 337 62 65 PHE HB3 H 3.11 0.02 2 338 62 65 PHE C C 176.4 0.3 1 339 62 65 PHE CA C 62.4 0.3 1 340 62 65 PHE CB C 38.6 0.3 1 341 62 65 PHE N N 120.5 0.3 1 342 63 66 GLU H H 8.90 0.02 1 343 63 66 GLU HA H 4.03 0.02 1 344 63 66 GLU HB2 H 2.21 0.02 2 345 63 66 GLU HB3 H 2.13 0.02 2 346 63 66 GLU HG2 H 2.39 0.02 2 347 63 66 GLU HG3 H 2.28 0.02 2 348 63 66 GLU C C 179.3 0.3 1 349 63 66 GLU CA C 59.2 0.3 1 350 63 66 GLU CB C 28.5 0.3 1 351 63 66 GLU CG C 33.8 0.3 1 352 63 66 GLU N N 120.2 0.3 1 353 64 67 ALA H H 8.15 0.02 1 354 64 67 ALA HA H 3.87 0.02 1 355 64 67 ALA HB H 1.44 0.02 1 356 64 67 ALA C C 180.5 0.3 1 357 64 67 ALA CA C 54.7 0.3 1 358 64 67 ALA CB C 18.1 0.3 1 359 64 67 ALA N N 120.6 0.3 1 360 65 68 PHE H H 7.81 0.02 1 361 65 68 PHE HA H 4.32 0.02 1 362 65 68 PHE HB2 H 3.21 0.02 2 363 65 68 PHE HB3 H 3.11 0.02 2 364 65 68 PHE C C 175.4 0.3 1 365 65 68 PHE CA C 59.8 0.3 1 366 65 68 PHE CB C 38.0 0.3 1 367 65 68 PHE N N 120.0 0.3 1 368 66 69 GLU H H 8.33 0.02 1 369 66 69 GLU HA H 4.17 0.02 1 370 66 69 GLU HB2 H 2.02 0.02 2 371 66 69 GLU HB3 H 1.92 0.02 2 372 66 69 GLU C C 178.8 0.3 1 373 66 69 GLU CA C 60.2 0.3 1 374 66 69 GLU CB C 29.1 0.3 1 375 66 69 GLU N N 119.4 0.3 1 376 67 70 GLU H H 8.24 0.02 1 377 67 70 GLU HA H 3.97 0.02 1 378 67 70 GLU HB2 H 1.91 0.02 2 379 67 70 GLU HB3 H 1.76 0.02 2 380 67 70 GLU HG2 H 2.34 0.02 2 381 67 70 GLU HG3 H 2.22 0.02 2 382 67 70 GLU C C 177.7 0.3 1 383 67 70 GLU CA C 58.8 0.3 1 384 67 70 GLU CB C 28.7 0.3 1 385 67 70 GLU CG C 33.7 0.3 1 386 67 70 GLU N N 118.6 0.3 1 387 68 71 CYS H H 7.58 0.02 1 388 68 71 CYS HA H 4.08 0.02 1 389 68 71 CYS HB2 H 3.29 0.02 2 390 68 71 CYS HB3 H 3.17 0.02 2 391 68 71 CYS C C 177.9 0.3 1 392 68 71 CYS CA C 60.6 0.3 1 393 68 71 CYS CB C 39.0 0.3 1 394 68 71 CYS N N 119.1 0.3 1 395 69 72 LEU H H 8.09 0.02 1 396 69 72 LEU HA H 3.70 0.02 1 397 69 72 LEU HG H 1.72 0.02 1 398 69 72 LEU HD1 H 1.18 0.02 1 399 69 72 LEU HD2 H 0.25 0.02 1 400 69 72 LEU C C 179.3 0.3 1 401 69 72 LEU CA C 57.6 0.3 1 402 69 72 LEU CB C 41.0 0.3 1 403 69 72 LEU N N 122.0 0.3 1 404 70 73 ARG H H 7.60 0.02 1 405 70 73 ARG HA H 4.01 0.02 1 406 70 73 ARG HB2 H 1.91 0.02 2 407 70 73 ARG HB3 H 1.85 0.02 2 408 70 73 ARG HG2 H 1.68 0.02 2 409 70 73 ARG HG3 H 1.53 0.02 2 410 70 73 ARG HD2 H 3.19 0.02 2 411 70 73 ARG HD3 H 3.08 0.02 2 412 70 73 ARG C C 178.5 0.3 1 413 70 73 ARG CA C 58.7 0.3 1 414 70 73 ARG CB C 30.1 0.3 1 415 70 73 ARG CG C 25.1 0.3 1 416 70 73 ARG CD C 40.6 0.3 1 417 70 73 ARG N N 117.4 0.3 1 418 71 74 GLN H H 7.58 0.02 1 419 71 74 GLN HA H 4.29 0.02 1 420 71 74 GLN HB2 H 2.27 0.02 2 421 71 74 GLN HB3 H 2.18 0.02 2 422 71 74 GLN HG2 H 2.53 0.02 2 423 71 74 GLN HG3 H 2.43 0.02 2 424 71 74 GLN C C 176.2 0.3 1 425 71 74 GLN CA C 56.4 0.3 1 426 71 74 GLN CB C 29.2 0.3 1 427 71 74 GLN CG C 31.0 0.3 1 428 71 74 GLN N N 115.8 0.3 1 429 72 75 ASN H H 7.75 0.02 1 430 72 75 ASN HA H 4.99 0.02 1 431 72 75 ASN HB2 H 2.88 0.02 2 432 72 75 ASN HB3 H 2.54 0.02 2 433 72 75 ASN C C 174.8 0.3 1 434 72 75 ASN CA C 53.0 0.3 1 435 72 75 ASN CB C 39.8 0.3 1 436 72 75 ASN N N 118.6 0.3 1 437 73 76 GLU H H 7.95 0.02 1 438 73 76 GLU HA H 3.96 0.02 1 439 73 76 GLU HB2 H 2.29 0.02 2 440 73 76 GLU HB3 H 2.19 0.02 2 441 73 76 GLU HG2 H 2.36 0.02 2 442 73 76 GLU HG3 H 2.26 0.02 2 443 73 76 GLU C C 176.8 0.3 1 444 73 76 GLU CA C 59.2 0.3 1 445 73 76 GLU CB C 29.1 0.3 1 446 73 76 GLU CG C 33.4 0.3 1 447 73 76 GLU N N 120.2 0.3 1 448 74 77 ALA H H 8.32 0.02 1 449 74 77 ALA HA H 4.36 0.02 1 450 74 77 ALA HB H 1.37 0.02 1 451 74 77 ALA C C 175.4 0.3 1 452 74 77 ALA CA C 52.1 0.3 1 453 74 77 ALA CB C 18.2 0.3 1 454 74 77 ALA N N 119.2 0.3 1 455 75 78 ALA H H 7.90 0.02 1 456 75 78 ALA HA H 4.38 0.02 1 457 75 78 ALA HB H 1.23 0.02 1 458 75 78 ALA C C 177.2 0.3 1 459 75 78 ALA CA C 51.4 0.3 1 460 75 78 ALA CB C 18.0 0.3 1 461 75 78 ALA N N 124.4 0.3 1 462 76 79 VAL H H 8.10 0.02 1 463 76 79 VAL HA H 3.79 0.02 1 464 76 79 VAL HB H 2.10 0.02 1 465 76 79 VAL HG1 H 1.03 0.02 1 466 76 79 VAL HG2 H 0.95 0.02 1 467 76 79 VAL CA C 65.1 0.3 1 468 76 79 VAL CB C 31.3 0.3 1 469 76 79 VAL CG1 C 18.8 0.3 1 470 76 79 VAL CG2 C 17.6 0.3 1 471 76 79 VAL N N 118.4 0.3 1 472 77 80 GLY C C 175.9 0.3 1 473 77 80 GLY CA C 46.4 0.3 1 474 78 81 ASN H H 8.20 0.02 1 475 78 81 ASN HA H 4.60 0.02 1 476 78 81 ASN HB2 H 2.90 0.02 2 477 78 81 ASN HB3 H 2.84 0.02 2 478 78 81 ASN C C 176.7 0.3 1 479 78 81 ASN CA C 54.5 0.3 1 480 78 81 ASN CB C 37.3 0.3 1 481 78 81 ASN N N 119.3 0.3 1 482 79 82 CYS H H 8.33 0.02 1 483 79 82 CYS HA H 5.40 0.02 1 484 79 82 CYS HB2 H 3.57 0.02 2 485 79 82 CYS HB3 H 2.90 0.02 2 486 79 82 CYS C C 175.8 0.3 1 487 79 82 CYS CA C 53.5 0.3 1 488 79 82 CYS CB C 39.3 0.3 1 489 79 82 CYS N N 117.2 0.3 1 490 80 83 ALA H H 7.70 0.02 1 491 80 83 ALA HA H 4.15 0.02 1 492 80 83 ALA HB H 1.69 0.02 1 493 80 83 ALA C C 179.9 0.3 1 494 80 83 ALA CA C 56.2 0.3 1 495 80 83 ALA CB C 18.2 0.3 1 496 80 83 ALA N N 125.0 0.3 1 497 81 84 GLU H H 8.92 0.02 1 498 81 84 GLU HA H 3.95 0.02 1 499 81 84 GLU HB2 H 2.04 0.02 2 500 81 84 GLU HB3 H 1.91 0.02 2 501 81 84 GLU CA C 59.0 0.3 1 502 81 84 GLU CB C 28.9 0.3 1 503 81 84 GLU CG C 32.8 0.3 1 504 81 84 GLU N N 118.9 0.3 1 505 82 85 HIS C C 178.5 0.3 1 506 82 85 HIS CA C 56.1 0.3 1 507 83 86 MET H H 7.46 0.02 1 508 83 86 MET C C 177.2 0.3 1 509 83 86 MET CA C 58.9 0.3 1 510 83 86 MET CB C 31.3 0.3 1 511 83 86 MET N N 118.8 0.3 1 512 84 87 ARG H H 8.22 0.02 1 513 84 87 ARG HA H 3.91 0.02 1 514 84 87 ARG HB2 H 1.98 0.02 2 515 84 87 ARG HB3 H 1.88 0.02 2 516 84 87 ARG HG2 H 1.72 0.02 2 517 84 87 ARG HG3 H 1.61 0.02 2 518 84 87 ARG C C 178.6 0.3 1 519 84 87 ARG CA C 59.9 0.3 1 520 84 87 ARG CB C 29.5 0.3 1 521 84 87 ARG CG C 24.5 0.3 1 522 84 87 ARG CD C 40.7 0.3 1 523 84 87 ARG N N 119.5 0.3 1 524 85 88 ARG H H 8.10 0.02 1 525 85 88 ARG HA H 3.92 0.02 1 526 85 88 ARG C C 179.7 0.3 1 527 85 88 ARG CA C 59.5 0.3 1 528 85 88 ARG CB C 30.0 0.3 1 529 85 88 ARG CG C 25.2 0.3 1 530 85 88 ARG CD C 40.5 0.3 1 531 85 88 ARG N N 117.9 0.3 1 532 86 89 PHE H H 7.93 0.02 1 533 86 89 PHE HA H 4.35 0.02 1 534 86 89 PHE HB2 H 3.21 0.02 2 535 86 89 PHE HB3 H 3.11 0.02 2 536 86 89 PHE C C 175.6 0.3 1 537 86 89 PHE CA C 61.1 0.3 1 538 86 89 PHE CB C 37.8 0.3 1 539 86 89 PHE N N 119.7 0.3 1 540 87 90 LEU H H 8.64 0.02 1 541 87 90 LEU HA H 3.71 0.02 1 542 87 90 LEU HB2 H 1.88 0.02 2 543 87 90 LEU HB3 H 1.45 0.02 2 544 87 90 LEU HG H 1.72 0.02 1 545 87 90 LEU HD1 H 0.88 0.02 1 546 87 90 LEU HD2 H 0.62 0.02 1 547 87 90 LEU C C 179.2 0.3 1 548 87 90 LEU CA C 57.7 0.3 1 549 87 90 LEU CB C 40.3 0.3 1 550 87 90 LEU CG C 23.0 0.3 1 551 87 90 LEU CD1 C 22.5 0.3 1 552 87 90 LEU CD2 C 20.1 0.3 1 553 87 90 LEU N N 120.4 0.3 1 554 88 91 GLN H H 8.38 0.02 1 555 88 91 GLN HA H 4.04 0.02 1 556 88 91 GLN HB2 H 2.14 0.02 2 557 88 91 GLN HB3 H 2.07 0.02 2 558 88 91 GLN HG2 H 2.49 0.02 2 559 88 91 GLN HG3 H 2.33 0.02 2 560 88 91 GLN C C 178.0 0.3 1 561 88 91 GLN CA C 58.7 0.3 1 562 88 91 GLN CB C 28.0 0.3 1 563 88 91 GLN CG C 31.4 0.3 1 564 88 91 GLN N N 118.2 0.3 1 565 89 92 CYS H H 7.39 0.02 1 566 89 92 CYS HA H 4.05 0.02 1 567 89 92 CYS HB2 H 3.39 0.02 2 568 89 92 CYS HB3 H 3.29 0.02 2 569 89 92 CYS C C 176.6 0.3 1 570 89 92 CYS CA C 60.1 0.3 1 571 89 92 CYS CB C 39.5 0.3 1 572 89 92 CYS N N 119.0 0.3 1 573 90 93 ALA H H 8.41 0.02 1 574 90 93 ALA HA H 3.91 0.02 1 575 90 93 ALA HB H 1.63 0.02 1 576 90 93 ALA C C 179.2 0.3 1 577 90 93 ALA CA C 54.7 0.3 1 578 90 93 ALA CB C 17.8 0.3 1 579 90 93 ALA N N 122.9 0.3 1 580 91 94 GLU H H 7.88 0.02 1 581 91 94 GLU HA H 4.15 0.02 1 582 91 94 GLU C C 177.4 0.3 1 583 91 94 GLU CA C 57.9 0.3 1 584 91 94 GLU CB C 29.4 0.3 1 585 91 94 GLU CG C 33.9 0.3 1 586 91 94 GLU N N 115.8 0.3 1 587 92 95 GLN H H 7.45 0.02 1 588 92 95 GLN HA H 4.29 0.02 1 589 92 95 GLN HB2 H 2.25 0.02 2 590 92 95 GLN HB3 H 2.15 0.02 2 591 92 95 GLN HG2 H 2.53 0.02 2 592 92 95 GLN HG3 H 2.44 0.02 2 593 92 95 GLN C C 176.6 0.3 1 594 92 95 GLN CA C 56.3 0.3 1 595 92 95 GLN CB C 28.9 0.3 1 596 92 95 GLN CG C 31.2 0.3 1 597 92 95 GLN N N 115.5 0.3 1 598 93 96 VAL H H 7.37 0.02 1 599 93 96 VAL HA H 4.01 0.02 1 600 93 96 VAL HB H 2.13 0.02 1 601 93 96 VAL HG1 H 1.01 0.02 1 602 93 96 VAL HG2 H 0.95 0.02 1 603 93 96 VAL C C 175.5 0.3 1 604 93 96 VAL CA C 63.1 0.3 1 605 93 96 VAL CB C 31.4 0.3 1 606 93 96 VAL CG1 C 19.1 0.3 1 607 93 96 VAL CG2 C 18.6 0.3 1 608 93 96 VAL N N 118.2 0.3 1 stop_ save_