data_11019 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Cox17 ; _BMRB_accession_number 11019 _BMRB_flat_file_name bmr11019.str _Entry_type original _Submission_date 2007-12-10 _Accession_date 2007-12-10 _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 Banci Lucia . . 2 Bertini Ivano . . 3 Ciofi-Baffoni Simone . . 4 Janicka Anna . . 5 Martinelli Manuele . . 6 Kozlowski Henryk . . 7 Palumaa Peep . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 361 "13C chemical shifts" 251 "15N chemical shifts" 62 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-06-27 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 11020 'Chemical shifts of of the Cu(I) form of human Cox17' stop_ _Original_release_date 2008-06-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'A structural-dynamical characterization of human Cox17' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18093982 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 Janicka Anna . . 5 Martinelli Manuele . . 6 Kozlowski Henryk . . 7 Palumaa Peep . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume 283 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7912 _Page_last 7920 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cox17 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Cox17 monomer' $Cox17 stop_ _System_molecular_weight 7307.5 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'copper chaperone' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Cox17 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cox17 _Molecular_mass 7307.5 _Mol_thiol_state 'free and disulfide bound' loop_ _Biological_function 'copper chaperone' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 67 _Mol_residue_sequence ; GSFTMPGLVDSNPAPPESQE KKPLKPCCACPETKKARDAC IIEKGEEHCGHLIEAHKECM RALGFKI ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 PHE 4 THR 5 MET 6 PRO 7 GLY 8 LEU 9 VAL 10 ASP 11 SER 12 ASN 13 PRO 14 ALA 15 PRO 16 PRO 17 GLU 18 SER 19 GLN 20 GLU 21 LYS 22 LYS 23 PRO 24 LEU 25 LYS 26 PRO 27 CYS 28 CYS 29 ALA 30 CYS 31 PRO 32 GLU 33 THR 34 LYS 35 LYS 36 ALA 37 ARG 38 ASP 39 ALA 40 CYS 41 ILE 42 ILE 43 GLU 44 LYS 45 GLY 46 GLU 47 GLU 48 HIS 49 CYS 50 GLY 51 HIS 52 LEU 53 ILE 54 GLU 55 ALA 56 HIS 57 LYS 58 GLU 59 CYS 60 MET 61 ARG 62 ALA 63 LEU 64 GLY 65 PHE 66 LYS 67 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 11020 Cox17 100.00 67 100.00 100.00 1.41e-39 BMRB 17821 "Human C30S/C59S-Cox17 mutant" 100.00 67 97.01 97.01 6.07e-38 PDB 2LGQ "Human C30sC59S-Cox17 Mutant" 100.00 67 97.01 97.01 6.07e-38 PDB 2RN9 "Solution Structure Of Human Apocox17" 100.00 67 100.00 100.00 1.41e-39 PDB 2RNB "Solution Structure Of Human Cu(I)cox17" 100.00 67 100.00 100.00 1.41e-39 DBJ BAG35079 "unnamed protein product [Homo sapiens]" 94.03 63 100.00 100.00 4.02e-36 GB AAA98114 "COX17 [Homo sapiens]" 94.03 63 100.00 100.00 4.02e-36 GB AAF82569 "COX17 [Homo sapiens]" 94.03 63 100.00 100.00 4.02e-36 GB AAH10933 "COX17 cytochrome c oxidase assembly homolog (S. cerevisiae) [Homo sapiens]" 94.03 63 100.00 100.00 4.02e-36 GB AAI05281 "COX17 cytochrome c oxidase assembly homolog (S. cerevisiae) [Homo sapiens]" 94.03 63 100.00 100.00 4.02e-36 GB AAI08318 "COX17 cytochrome c oxidase assembly homolog (S. cerevisiae) [Homo sapiens]" 94.03 63 100.00 100.00 4.02e-36 REF NP_001239469 "cytochrome c oxidase copper chaperone [Pan troglodytes]" 94.03 63 100.00 100.00 4.02e-36 REF NP_001254468 "COX17 cytochrome c oxidase assembly homolog [Macaca mulatta]" 94.03 63 98.41 98.41 3.69e-35 REF NP_005685 "cytochrome c oxidase copper chaperone [Homo sapiens]" 94.03 63 100.00 100.00 4.02e-36 REF XP_002758821 "PREDICTED: cytochrome c oxidase copper chaperone [Callithrix jacchus]" 94.03 63 100.00 100.00 4.02e-36 REF XP_003261908 "PREDICTED: cytochrome c oxidase copper chaperone [Nomascus leucogenys]" 94.03 63 100.00 100.00 4.02e-36 SP Q14061 "RecName: Full=Cytochrome c oxidase copper chaperone" 94.03 63 100.00 100.00 4.02e-36 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 $Cox17 human 9606 Eukaryota Metazoa Homo sapiens COX17 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 $Cox17 'recombinant technology' . Escherichia coli BL21-Origami(DE3) pETG-30A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Cox17 . mM 0.5 1 'natural abundance' DTT 1 mM . . 'natural abundance' 'potassium phosphate' 50 mM . . 'natural abundance' H2O 90 % . . . D2O 10 % . . . 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 $Cox17 . mM 0.5 1 '[U-100% 15N]' DTT 1 mM . . 'natural abundance' 'potassium phosphate' 50 mM . . 'natural abundance' H2O 90 % . . . D2O 10 % . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Cox17 . mM 0.5 1 '[U-100% 13C; U-100% 15N]' DTT 1 mM . . 'natural abundance' 'potassium phosphate' 50 mM . . 'natural abundance' H2O 90 % . . . D2O 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 8.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ATNOS _Saveframe_category software _Name ATNOS _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert, Wuthrich' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_CANDID _Saveframe_category software _Name CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert, Wuthrich' . . stop_ loop_ _Task 'NOEs assignment' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address Keller . . 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_2 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 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 1 mM pH 7.2 0.1 pH pressure 1 . atm temperature 298 0.2 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Cox17 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 4 THR N N 117.292 0.4 1 2 4 4 THR H H 8.028 0.02 1 3 4 4 THR CA C 58.817 0.4 1 4 4 4 THR HA H 4.131 0.02 1 5 4 4 THR CB C 67.576 0.4 1 6 4 4 THR HB H 3.929 0.02 1 7 4 4 THR HG2 H 1.053 0.02 1 8 4 4 THR CG2 C 18.807 0.4 1 9 4 4 THR C C 170.874 0.4 1 10 5 5 MET N N 124.349 0.4 1 11 5 5 MET H H 8.233 0.02 1 12 5 5 MET CA C 50.500 0.4 1 13 5 5 MET HA H 4.670 0.02 1 14 5 5 MET CB C 29.700 0.4 1 15 5 5 MET HB3 H 1.870 0.02 2 16 5 5 MET HG3 H 2.510 0.02 2 17 5 5 MET C C 171.256 0.4 1 18 5 5 MET HB2 H 2.010 0.02 2 19 5 5 MET HG2 H 2.560 0.02 2 20 6 6 PRO CD C 47.744 0.4 1 21 6 6 PRO CA C 60.478 0.4 1 22 6 6 PRO HA H 4.284 0.02 1 23 6 6 PRO CB C 29.215 0.4 1 24 6 6 PRO HB3 H 2.200 0.02 2 25 6 6 PRO CG C 24.502 0.4 1 26 6 6 PRO HG3 H 1.965 0.02 2 27 6 6 PRO HD3 H 3.668 0.02 2 28 6 6 PRO C C 174.600 0.4 1 29 6 6 PRO HB2 H 1.836 0.02 2 30 6 6 PRO HD2 H 3.668 0.02 2 31 6 6 PRO HG2 H 1.965 0.02 2 32 7 7 GLY N N 108.874 0.4 1 33 7 7 GLY H H 8.360 0.02 1 34 7 7 GLY CA C 42.385 0.4 1 35 7 7 GLY HA3 H 3.801 0.02 2 36 7 7 GLY C C 171.217 0.4 1 37 7 7 GLY HA2 H 3.801 0.02 2 38 8 8 LEU N N 121.580 0.4 1 39 8 8 LEU H H 7.925 0.02 1 40 8 8 LEU CA C 52.441 0.4 1 41 8 8 LEU HA H 4.177 0.02 1 42 8 8 LEU CB C 39.504 0.4 1 43 8 8 LEU HB3 H 1.388 0.02 2 44 8 8 LEU CG C 24.101 0.4 1 45 8 8 LEU HG H 1.519 0.02 1 46 8 8 LEU HD1 H 0.835 0.02 2 47 8 8 LEU HD2 H 0.783 0.02 2 48 8 8 LEU CD1 C 21.891 0.4 1 49 8 8 LEU CD2 C 20.612 0.4 1 50 8 8 LEU C C 174.635 0.4 1 51 8 8 LEU HB2 H 1.527 0.02 2 52 9 9 VAL N N 120.750 0.4 1 53 9 9 VAL H H 8.047 0.02 1 54 9 9 VAL CA C 58.177 0.4 1 55 9 9 VAL HA H 3.982 0.02 1 56 9 9 VAL CB C 29.969 0.4 1 57 9 9 VAL HB H 1.924 0.02 1 58 9 9 VAL HG1 H 0.820 0.02 2 59 9 9 VAL HG2 H 0.795 0.02 2 60 9 9 VAL CG1 C 18.204 0.4 1 61 9 9 VAL CG2 C 17.626 0.4 1 62 9 9 VAL C C 173.021 0.4 1 63 10 10 ASP N N 124.197 0.4 1 64 10 10 ASP H H 8.292 0.02 1 65 10 10 ASP CA C 51.549 0.4 1 66 10 10 ASP HA H 4.459 0.02 1 67 10 10 ASP CB C 38.338 0.4 1 68 10 10 ASP HB3 H 2.591 0.02 2 69 10 10 ASP C C 173.282 0.4 1 70 10 10 ASP HB2 H 2.470 0.02 2 71 11 11 SER N N 116.282 0.4 1 72 11 11 SER H H 8.134 0.02 1 73 11 11 SER CA C 55.478 0.4 1 74 11 11 SER HA H 4.298 0.02 1 75 11 11 SER CB C 60.924 0.4 1 76 11 11 SER HB3 H 3.733 0.02 2 77 11 11 SER C C 171.217 0.4 1 78 11 11 SER HB2 H 3.733 0.02 2 79 12 12 ASN N N 121.361 0.4 1 80 12 12 ASN H H 8.272 0.02 1 81 12 12 ASN CA C 48.643 0.4 1 82 12 12 ASN HA H 4.840 0.02 1 83 12 12 ASN CB C 35.774 0.4 1 84 12 12 ASN HB3 H 2.574 0.02 2 85 12 12 ASN ND2 N 113.400 0.4 1 86 12 12 ASN HD21 H 6.810 0.02 2 87 12 12 ASN HD22 H 7.570 0.02 2 88 12 12 ASN C C 170.035 0.4 1 89 12 12 ASN HB2 H 2.694 0.02 2 90 13 13 PRO CD C 47.752 0.4 1 91 13 13 PRO CA C 60.109 0.4 1 92 13 13 PRO HA H 4.283 0.02 1 93 13 13 PRO CB C 29.215 0.4 1 94 13 13 PRO HB3 H 2.181 0.02 2 95 13 13 PRO CG C 24.452 0.4 1 96 13 13 PRO HG3 H 1.942 0.02 2 97 13 13 PRO HD3 H 3.510 0.02 2 98 13 13 PRO C C 173.500 0.4 1 99 13 13 PRO HB2 H 1.839 0.02 2 100 13 13 PRO HD2 H 3.695 0.02 2 101 13 13 PRO HG2 H 1.942 0.02 2 102 14 14 ALA N N 125.727 0.4 1 103 14 14 ALA H H 8.264 0.02 1 104 14 14 ALA CA C 47.554 0.4 1 105 14 14 ALA HA H 4.461 0.02 1 106 14 14 ALA HB H 1.211 0.02 1 107 14 14 ALA CB C 15.060 0.4 1 108 14 14 ALA C C 172.207 0.4 1 109 15 15 PRO CD C 47.624 0.4 1 110 15 15 PRO CA C 58.640 0.4 1 111 15 15 PRO HA H 4.609 0.02 1 112 15 15 PRO CB C 28.249 0.4 1 113 15 15 PRO HB3 H 2.260 0.02 2 114 15 15 PRO CG C 24.626 0.4 1 115 15 15 PRO HG3 H 1.950 0.02 2 116 15 15 PRO HD3 H 3.723 0.02 2 117 15 15 PRO HB2 H 1.832 0.02 2 118 15 15 PRO HD2 H 3.534 0.02 2 119 15 15 PRO HG2 H 1.950 0.02 2 120 16 16 PRO CD C 47.740 0.4 1 121 16 16 PRO CA C 60.463 0.4 1 122 16 16 PRO HA H 4.285 0.02 1 123 16 16 PRO CB C 29.169 0.4 1 124 16 16 PRO HB3 H 2.217 0.02 2 125 16 16 PRO CG C 24.420 0.4 1 126 16 16 PRO HG3 H 1.905 0.02 2 127 16 16 PRO HD3 H 3.526 0.02 2 128 16 16 PRO HB2 H 1.836 0.02 2 129 16 16 PRO HD2 H 3.690 0.02 2 130 16 16 PRO HG2 H 1.905 0.02 2 131 17 17 GLU N N 120.490 0.4 1 132 17 17 GLU H H 8.544 0.02 1 133 17 17 GLU CA C 54.139 0.4 1 134 17 17 GLU HA H 4.131 0.02 1 135 17 17 GLU CB C 27.107 0.4 1 136 17 17 GLU HB3 H 1.925 0.02 2 137 17 17 GLU CG C 33.450 0.4 1 138 17 17 GLU HG3 H 2.193 0.02 2 139 17 17 GLU C C 173.973 0.4 1 140 17 17 GLU HB2 H 1.842 0.02 2 141 17 17 GLU HG2 H 2.151 0.02 2 142 18 18 SER N N 116.415 0.4 1 143 18 18 SER H H 8.238 0.02 1 144 18 18 SER CA C 55.493 0.4 1 145 18 18 SER HA H 4.294 0.02 1 146 18 18 SER CB C 60.955 0.4 1 147 18 18 SER HB3 H 3.796 0.02 2 148 18 18 SER C C 171.987 0.4 1 149 18 18 SER HB2 H 3.720 0.02 2 150 19 19 GLN N N 122.129 0.4 1 151 19 19 GLN H H 8.257 0.02 1 152 19 19 GLN CA C 52.984 0.4 1 153 19 19 GLN HA H 4.218 0.02 1 154 19 19 GLN CB C 26.447 0.4 1 155 19 19 GLN HB3 H 1.841 0.02 2 156 19 19 GLN CG C 31.081 0.4 1 157 19 19 GLN HG3 H 2.256 0.02 2 158 19 19 GLN NE2 N 112.600 0.4 1 159 19 19 GLN HE21 H 6.780 0.02 2 160 19 19 GLN HE22 H 7.440 0.02 2 161 19 19 GLN C C 173.175 0.4 1 162 19 19 GLN HB2 H 2.031 0.02 2 163 19 19 GLN HG2 H 2.256 0.02 2 164 20 20 GLU N N 121.680 0.4 1 165 20 20 GLU H H 8.253 0.02 1 166 20 20 GLU CA C 53.801 0.4 1 167 20 20 GLU HA H 4.124 0.02 1 168 20 20 GLU CB C 27.191 0.4 1 169 20 20 GLU HB3 H 1.868 0.02 2 170 20 20 GLU CG C 33.397 0.4 1 171 20 20 GLU HG3 H 2.178 0.02 2 172 20 20 GLU C C 173.540 0.4 1 173 20 20 GLU HB2 H 1.868 0.02 2 174 20 20 GLU HG2 H 2.178 0.02 2 175 21 21 LYS N N 122.767 0.4 1 176 21 21 LYS H H 8.260 0.02 1 177 21 21 LYS CA C 53.277 0.4 1 178 21 21 LYS HA H 4.180 0.02 1 179 21 21 LYS CB C 29.599 0.4 1 180 21 21 LYS HB3 H 1.724 0.02 2 181 21 21 LYS CG C 21.902 0.4 1 182 21 21 LYS HG3 H 1.605 0.02 2 183 21 21 LYS C C 173.483 0.4 1 184 21 21 LYS HB2 H 1.724 0.02 2 185 21 21 LYS HG2 H 1.605 0.02 2 186 22 22 LYS N N 123.811 0.4 1 187 22 22 LYS H H 8.220 0.02 1 188 22 22 LYS CA C 51.146 0.4 1 189 22 22 LYS HA H 4.550 0.02 1 190 22 22 LYS CB C 29.500 0.4 1 191 22 22 LYS HB3 H 1.650 0.02 2 192 22 22 LYS CG C 21.600 0.4 1 193 22 22 LYS HG3 H 1.380 0.02 2 194 22 22 LYS CD C 26.200 0.4 1 195 22 22 LYS HD3 H 1.620 0.02 2 196 22 22 LYS CE C 39.100 0.4 1 197 22 22 LYS HE3 H 2.920 0.02 2 198 22 22 LYS C C 171.569 0.4 1 199 22 22 LYS HB2 H 1.750 0.02 2 200 22 22 LYS HD2 H 1.620 0.02 2 201 22 22 LYS HE2 H 2.920 0.02 2 202 22 22 LYS HG2 H 1.380 0.02 2 203 23 23 PRO CD C 47.800 0.4 1 204 23 23 PRO CA C 60.300 0.4 1 205 23 23 PRO HA H 4.330 0.02 1 206 23 23 PRO CB C 29.300 0.4 1 207 23 23 PRO CG C 24.500 0.4 1 208 23 23 PRO HG3 H 1.950 0.02 2 209 23 23 PRO HD3 H 3.570 0.02 2 210 23 23 PRO C C 174.000 0.4 1 211 23 23 PRO HD2 H 3.670 0.02 2 212 23 23 PRO HG2 H 1.950 0.02 2 213 24 24 LEU N N 123.026 0.4 1 214 24 24 LEU H H 8.271 0.02 1 215 24 24 LEU CA C 52.327 0.4 1 216 24 24 LEU HA H 4.263 0.02 1 217 24 24 LEU CB C 39.500 0.4 1 218 24 24 LEU HB3 H 1.540 0.02 2 219 24 24 LEU CG C 24.159 0.4 1 220 24 24 LEU HG H 1.512 0.02 1 221 24 24 LEU HD1 H 0.750 0.02 2 222 24 24 LEU HD2 H 0.740 0.02 2 223 24 24 LEU CD1 C 21.952 0.4 1 224 24 24 LEU CD2 C 20.735 0.4 1 225 24 24 LEU C C 174.539 0.4 1 226 24 24 LEU HB2 H 1.432 0.02 2 227 25 25 LYS N N 123.527 0.4 1 228 25 25 LYS H H 8.170 0.02 1 229 25 25 LYS CA C 53.300 0.4 1 230 25 25 LYS HA H 4.260 0.02 1 231 25 25 LYS CB C 29.900 0.4 1 232 25 25 LYS HB3 H 1.700 0.02 2 233 25 25 LYS C C 172.201 0.4 1 234 25 25 LYS HB2 H 1.700 0.02 2 235 28 28 CYS CA C 55.186 0.4 1 236 28 28 CYS HA H 4.368 0.02 1 237 28 28 CYS CB C 25.730 0.4 1 238 28 28 CYS HB3 H 2.844 0.02 2 239 28 28 CYS HB2 H 2.844 0.02 2 240 29 29 ALA N N 125.015 0.4 1 241 29 29 ALA H H 7.672 0.02 1 242 29 29 ALA CA C 49.278 0.4 1 243 29 29 ALA HA H 4.206 0.02 1 244 29 29 ALA HB H 1.210 0.02 1 245 29 29 ALA CB C 17.399 0.4 1 246 29 29 ALA C C 173.420 0.4 1 247 30 30 CYS N N 115.942 0.4 1 248 30 30 CYS H H 9.088 0.02 1 249 30 30 CYS CA C 55.841 0.4 1 250 30 30 CYS HA H 4.331 0.02 1 251 30 30 CYS CB C 40.666 0.4 1 252 30 30 CYS HB2 H 3.774 0.02 2 253 30 30 CYS HB3 H 3.156 0.02 2 254 30 30 CYS C C 169.427 0.4 1 255 31 31 PRO CD C 47.645 0.4 1 256 31 31 PRO CA C 62.135 0.4 1 257 31 31 PRO HA H 4.126 0.02 1 258 31 31 PRO CB C 28.204 0.4 1 259 31 31 PRO HB3 H 2.072 0.02 2 260 31 31 PRO CG C 24.798 0.4 1 261 31 31 PRO HG3 H 2.021 0.02 2 262 31 31 PRO HD3 H 3.724 0.02 2 263 31 31 PRO C C 177.200 0.4 1 264 31 31 PRO HB2 H 1.906 0.02 2 265 31 31 PRO HD2 H 3.573 0.02 2 266 31 31 PRO HG2 H 2.021 0.02 2 267 32 32 GLU N N 119.052 0.4 1 268 32 32 GLU H H 8.076 0.02 1 269 32 32 GLU CA C 57.453 0.4 1 270 32 32 GLU HA H 4.035 0.02 1 271 32 32 GLU CB C 25.876 0.4 1 272 32 32 GLU HB3 H 2.085 0.02 2 273 32 32 GLU CG C 33.801 0.4 1 274 32 32 GLU HG3 H 2.287 0.02 2 275 32 32 GLU C C 177.687 0.4 1 276 32 32 GLU HB2 H 1.985 0.02 2 277 32 32 GLU HG2 H 2.221 0.02 2 278 33 33 THR N N 112.749 0.4 1 279 33 33 THR H H 8.610 0.02 1 280 33 33 THR CA C 61.708 0.4 1 281 33 33 THR HA H 3.969 0.02 1 282 33 33 THR CB C 63.933 0.4 1 283 33 33 THR HB H 4.128 0.02 1 284 33 33 THR HG2 H 1.172 0.02 1 285 33 33 THR CG2 C 19.502 0.4 1 286 33 33 THR C C 177.038 0.4 1 287 34 34 LYS N N 127.030 0.4 1 288 34 34 LYS H H 7.961 0.02 1 289 34 34 LYS CA C 57.824 0.4 1 290 34 34 LYS HA H 2.749 0.02 1 291 34 34 LYS CB C 30.199 0.4 1 292 34 34 LYS HB3 H 1.613 0.02 2 293 34 34 LYS CG C 22.272 0.4 1 294 34 34 LYS HG3 H 1.170 0.02 2 295 34 34 LYS CD C 26.319 0.4 1 296 34 34 LYS HD3 H 1.428 0.02 2 297 34 34 LYS CE C 39.455 0.4 1 298 34 34 LYS HE3 H 2.826 0.02 2 299 34 34 LYS C C 174.595 0.4 1 300 34 34 LYS HB2 H 1.538 0.02 2 301 34 34 LYS HD2 H 1.559 0.02 2 302 34 34 LYS HE2 H 2.826 0.02 2 303 34 34 LYS HG2 H 0.712 0.02 2 304 35 35 LYS N N 117.842 0.4 1 305 35 35 LYS H H 7.718 0.02 1 306 35 35 LYS CA C 56.493 0.4 1 307 35 35 LYS HA H 3.861 0.02 1 308 35 35 LYS CB C 29.507 0.4 1 309 35 35 LYS HB3 H 1.801 0.02 2 310 35 35 LYS CG C 21.958 0.4 1 311 35 35 LYS HG3 H 1.341 0.02 2 312 35 35 LYS CD C 26.330 0.4 1 313 35 35 LYS HD3 H 1.584 0.02 2 314 35 35 LYS CE C 39.144 0.4 1 315 35 35 LYS HE3 H 2.850 0.02 2 316 35 35 LYS C C 176.713 0.4 1 317 35 35 LYS HB2 H 1.740 0.02 2 318 35 35 LYS HD2 H 1.584 0.02 2 319 35 35 LYS HE2 H 2.850 0.02 2 320 35 35 LYS HG2 H 1.461 0.02 2 321 36 36 ALA N N 119.853 0.4 1 322 36 36 ALA H H 7.459 0.02 1 323 36 36 ALA CA C 51.984 0.4 1 324 36 36 ALA HA H 4.025 0.02 1 325 36 36 ALA HB H 1.348 0.02 1 326 36 36 ALA CB C 15.429 0.4 1 327 36 36 ALA C C 177.731 0.4 1 328 37 37 ARG N N 118.520 0.4 1 329 37 37 ARG H H 7.816 0.02 1 330 37 37 ARG CA C 56.801 0.4 1 331 37 37 ARG HA H 3.619 0.02 1 332 37 37 ARG CB C 27.215 0.4 1 333 37 37 ARG HB3 H 1.608 0.02 2 334 37 37 ARG CG C 22.577 0.4 1 335 37 37 ARG HG3 H 1.454 0.02 2 336 37 37 ARG CD C 40.792 0.4 1 337 37 37 ARG HD3 H 3.289 0.02 2 338 37 37 ARG HE H 6.170 0.02 1 339 37 37 ARG C C 174.278 0.4 1 340 37 37 ARG HB2 H 1.953 0.02 2 341 37 37 ARG HD2 H 2.744 0.02 2 342 37 37 ARG HG2 H 1.230 0.02 2 343 38 38 ASP N N 120.078 0.4 1 344 38 38 ASP H H 8.720 0.02 1 345 38 38 ASP CA C 54.757 0.4 1 346 38 38 ASP HA H 4.124 0.02 1 347 38 38 ASP CB C 36.154 0.4 1 348 38 38 ASP HB3 H 2.496 0.02 2 349 38 38 ASP C C 175.682 0.4 1 350 38 38 ASP HB2 H 2.496 0.02 2 351 39 39 ALA N N 120.713 0.4 1 352 39 39 ALA H H 7.949 0.02 1 353 39 39 ALA CA C 52.036 0.4 1 354 39 39 ALA HA H 4.013 0.02 1 355 39 39 ALA HB H 1.360 0.02 1 356 39 39 ALA CB C 15.229 0.4 1 357 39 39 ALA C C 176.833 0.4 1 358 40 40 CYS N N 117.561 0.4 1 359 40 40 CYS H H 7.314 0.02 1 360 40 40 CYS CA C 57.788 0.4 1 361 40 40 CYS HA H 4.154 0.02 1 362 40 40 CYS CB C 36.566 0.4 1 363 40 40 CYS HB2 H 3.303 0.02 2 364 40 40 CYS HB3 H 2.874 0.02 2 365 40 40 CYS C C 173.882 0.4 1 366 41 41 ILE N N 121.518 0.4 1 367 41 41 ILE H H 8.296 0.02 1 368 41 41 ILE CA C 63.678 0.4 1 369 41 41 ILE HA H 3.022 0.02 1 370 41 41 ILE CB C 35.179 0.4 1 371 41 41 ILE HB H 1.758 0.02 1 372 41 41 ILE HG2 H 0.778 0.02 1 373 41 41 ILE CG2 C 14.151 0.4 1 374 41 41 ILE CG1 C 27.599 0.4 1 375 41 41 ILE HG13 H 1.861 0.02 2 376 41 41 ILE HD1 H 0.757 0.02 1 377 41 41 ILE CD1 C 11.147 0.4 1 378 41 41 ILE C C 176.190 0.4 1 379 41 41 ILE HG12 H 0.514 0.02 2 380 42 42 ILE N N 118.860 0.4 1 381 42 42 ILE H H 7.719 0.02 1 382 42 42 ILE CA C 61.309 0.4 1 383 42 42 ILE HA H 3.685 0.02 1 384 42 42 ILE CB C 35.353 0.4 1 385 42 42 ILE HB H 1.735 0.02 1 386 42 42 ILE HG2 H 0.833 0.02 1 387 42 42 ILE CG2 C 14.684 0.4 1 388 42 42 ILE CG1 C 26.281 0.4 1 389 42 42 ILE HG13 H 1.515 0.02 2 390 42 42 ILE HD1 H 0.752 0.02 1 391 42 42 ILE CD1 C 10.496 0.4 1 392 42 42 ILE C C 174.314 0.4 1 393 42 42 ILE HG12 H 1.156 0.02 2 394 43 43 GLU N N 118.544 0.4 1 395 43 43 GLU H H 7.573 0.02 1 396 43 43 GLU CA C 56.130 0.4 1 397 43 43 GLU HA H 4.044 0.02 1 398 43 43 GLU CB C 28.264 0.4 1 399 43 43 GLU HB3 H 1.968 0.02 2 400 43 43 GLU CG C 33.531 0.4 1 401 43 43 GLU HG3 H 2.056 0.02 2 402 43 43 GLU C C 175.430 0.4 1 403 43 43 GLU HB2 H 2.015 0.02 2 404 43 43 GLU HG2 H 2.335 0.02 2 405 44 44 LYS N N 114.482 0.4 1 406 44 44 LYS H H 8.856 0.02 1 407 44 44 LYS CA C 53.835 0.4 1 408 44 44 LYS HA H 4.460 0.02 1 409 44 44 LYS CB C 32.784 0.4 1 410 44 44 LYS HB3 H 1.759 0.02 2 411 44 44 LYS CG C 22.485 0.4 1 412 44 44 LYS HG3 H 1.419 0.02 2 413 44 44 LYS CD C 26.560 0.4 1 414 44 44 LYS HD3 H 1.584 0.02 2 415 44 44 LYS CE C 39.362 0.4 1 416 44 44 LYS HE3 H 2.888 0.02 2 417 44 44 LYS C C 174.506 0.4 1 418 44 44 LYS HB2 H 1.928 0.02 2 419 44 44 LYS HD2 H 1.584 0.02 2 420 44 44 LYS HE2 H 2.888 0.02 2 421 44 44 LYS HG2 H 1.275 0.02 2 422 45 45 GLY N N 108.682 0.4 1 423 45 45 GLY H H 7.656 0.02 1 424 45 45 GLY CA C 41.400 0.4 1 425 45 45 GLY HA3 H 4.574 0.02 2 426 45 45 GLY C C 171.025 0.4 1 427 45 45 GLY HA2 H 3.808 0.02 2 428 46 46 GLU N N 120.586 0.4 1 429 46 46 GLU H H 8.898 0.02 1 430 46 46 GLU CA C 58.478 0.4 1 431 46 46 GLU HA H 3.396 0.02 1 432 46 46 GLU CB C 26.876 0.4 1 433 46 46 GLU HB3 H 1.830 0.02 2 434 46 46 GLU CG C 33.579 0.4 1 435 46 46 GLU HG3 H 2.071 0.02 2 436 46 46 GLU C C 175.871 0.4 1 437 46 46 GLU HB2 H 1.947 0.02 2 438 46 46 GLU HG2 H 2.071 0.02 2 439 47 47 GLU N N 118.676 0.4 1 440 47 47 GLU H H 9.565 0.02 1 441 47 47 GLU CA C 55.924 0.4 1 442 47 47 GLU HA H 3.914 0.02 1 443 47 47 GLU CB C 25.399 0.4 1 444 47 47 GLU HB3 H 1.656 0.02 2 445 47 47 GLU CG C 32.880 0.4 1 446 47 47 GLU HG3 H 1.682 0.02 2 447 47 47 GLU C C 174.378 0.4 1 448 47 47 GLU HB2 H 1.722 0.02 2 449 47 47 GLU HG2 H 1.846 0.02 2 450 48 48 HIS N N 117.538 0.4 1 451 48 48 HIS H H 7.463 0.02 1 452 48 48 HIS CA C 53.170 0.4 1 453 48 48 HIS HA H 4.874 0.02 1 454 48 48 HIS CB C 28.861 0.4 1 455 48 48 HIS HB3 H 2.717 0.02 2 456 48 48 HIS ND1 N 224.000 0.4 1 457 48 48 HIS NE2 N 176.500 0.4 1 458 48 48 HIS HD2 H 7.134 0.02 1 459 48 48 HIS HE1 H 7.752 0.02 1 460 48 48 HIS C C 173.542 0.4 1 461 48 48 HIS HB2 H 3.344 0.02 2 462 49 49 CYS N N 115.970 0.4 1 463 49 49 CYS H H 7.446 0.02 1 464 49 49 CYS CA C 51.601 0.4 1 465 49 49 CYS HA H 5.041 0.02 1 466 49 49 CYS CB C 39.508 0.4 1 467 49 49 CYS HB2 H 3.181 0.02 2 468 49 49 CYS HB3 H 2.372 0.02 2 469 49 49 CYS C C 173.888 0.4 1 470 50 50 GLY N N 113.108 0.4 1 471 50 50 GLY H H 9.227 0.02 1 472 50 50 GLY CA C 45.489 0.4 1 473 50 50 GLY HA3 H 3.696 0.02 2 474 50 50 GLY C C 172.592 0.4 1 475 50 50 GLY HA2 H 4.081 0.02 2 476 51 51 HIS CA C 56.434 0.4 1 477 51 51 HIS HA H 4.481 0.02 1 478 51 51 HIS CB C 26.015 0.4 1 479 51 51 HIS HB3 H 3.061 0.02 2 480 51 51 HIS ND1 N 239.800 0.4 1 481 51 51 HIS NE2 N 171.100 0.4 1 482 51 51 HIS HD2 H 6.962 0.02 1 483 51 51 HIS HE1 H 7.855 0.02 1 484 51 51 HIS HB2 H 3.061 0.02 2 485 52 52 LEU N N 122.096 0.4 1 486 52 52 LEU H H 6.738 0.02 1 487 52 52 LEU CA C 53.709 0.4 1 488 52 52 LEU HA H 4.110 0.02 1 489 52 52 LEU CB C 38.938 0.4 1 490 52 52 LEU HB3 H 1.281 0.02 2 491 52 52 LEU CG C 23.506 0.4 1 492 52 52 LEU HG H 0.769 0.02 1 493 52 52 LEU HD1 H 0.660 0.02 2 494 52 52 LEU HD2 H 0.650 0.02 2 495 52 52 LEU CD1 C 19.759 0.4 1 496 52 52 LEU CD2 C 19.527 0.4 1 497 52 52 LEU C C 178.064 0.4 1 498 52 52 LEU HB2 H 1.532 0.02 2 499 53 53 ILE N N 124.473 0.4 1 500 53 53 ILE H H 8.232 0.02 1 501 53 53 ILE CA C 63.451 0.4 1 502 53 53 ILE HA H 3.383 0.02 1 503 53 53 ILE CB C 35.848 0.4 1 504 53 53 ILE HB H 1.929 0.02 1 505 53 53 ILE HG2 H 0.902 0.02 1 506 53 53 ILE CG2 C 13.858 0.4 1 507 53 53 ILE CG1 C 26.971 0.4 1 508 53 53 ILE HG13 H 1.584 0.02 2 509 53 53 ILE HD1 H 0.761 0.02 1 510 53 53 ILE CD1 C 11.332 0.4 1 511 53 53 ILE C C 176.370 0.4 1 512 53 53 ILE HG12 H 0.920 0.02 2 513 54 54 GLU N N 120.130 0.4 1 514 54 54 GLU H H 8.350 0.02 1 515 54 54 GLU CA C 56.157 0.4 1 516 54 54 GLU HA H 4.031 0.02 1 517 54 54 GLU CB C 26.063 0.4 1 518 54 54 GLU HB3 H 1.990 0.02 2 519 54 54 GLU CG C 33.428 0.4 1 520 54 54 GLU HG3 H 2.341 0.02 2 521 54 54 GLU C C 175.613 0.4 1 522 54 54 GLU HB2 H 1.990 0.02 2 523 54 54 GLU HG2 H 2.231 0.02 2 524 55 55 ALA N N 120.653 0.4 1 525 55 55 ALA H H 7.799 0.02 1 526 55 55 ALA CA C 52.293 0.4 1 527 55 55 ALA HA H 4.119 0.02 1 528 55 55 ALA HB H 1.434 0.02 1 529 55 55 ALA CB C 14.891 0.4 1 530 55 55 ALA C C 178.372 0.4 1 531 56 56 HIS N N 118.026 0.4 1 532 56 56 HIS H H 7.600 0.02 1 533 56 56 HIS CA C 56.786 0.4 1 534 56 56 HIS HA H 4.477 0.02 1 535 56 56 HIS CB C 28.476 0.4 1 536 56 56 HIS HB3 H 2.658 0.02 2 537 56 56 HIS ND1 N 219.800 0.4 1 538 56 56 HIS NE2 N 178.800 0.4 1 539 56 56 HIS HD2 H 6.821 0.02 1 540 56 56 HIS HE1 H 7.761 0.02 1 541 56 56 HIS C C 173.803 0.4 1 542 56 56 HIS HB2 H 3.127 0.02 2 543 57 57 LYS N N 118.549 0.4 1 544 57 57 LYS H H 7.675 0.02 1 545 57 57 LYS CA C 57.804 0.4 1 546 57 57 LYS HA H 3.559 0.02 1 547 57 57 LYS CB C 29.280 0.4 1 548 57 57 LYS HB3 H 1.660 0.02 2 549 57 57 LYS CG C 22.903 0.4 1 550 57 57 LYS HG3 H 1.605 0.02 2 551 57 57 LYS CD C 26.969 0.4 1 552 57 57 LYS HD3 H 1.581 0.02 2 553 57 57 LYS CE C 39.143 0.4 1 554 57 57 LYS HE3 H 2.821 0.02 2 555 57 57 LYS C C 176.358 0.4 1 556 57 57 LYS HB2 H 1.925 0.02 2 557 57 57 LYS HD2 H 1.581 0.02 2 558 57 57 LYS HE2 H 2.725 0.02 2 559 57 57 LYS HG2 H 1.209 0.02 2 560 58 58 GLU N N 117.855 0.4 1 561 58 58 GLU H H 8.449 0.02 1 562 58 58 GLU CA C 56.418 0.4 1 563 58 58 GLU HA H 3.931 0.02 1 564 58 58 GLU CB C 26.492 0.4 1 565 58 58 GLU HB3 H 1.954 0.02 2 566 58 58 GLU CG C 33.268 0.4 1 567 58 58 GLU HG3 H 2.261 0.02 2 568 58 58 GLU C C 175.892 0.4 1 569 58 58 GLU HB2 H 1.954 0.02 2 570 58 58 GLU HG2 H 2.215 0.02 2 571 59 59 CYS N N 121.245 0.4 1 572 59 59 CYS H H 7.595 0.02 1 573 59 59 CYS CA C 57.849 0.4 1 574 59 59 CYS HA H 4.072 0.02 1 575 59 59 CYS CB C 38.821 0.4 1 576 59 59 CYS HB2 H 3.098 0.02 2 577 59 59 CYS HB3 H 3.313 0.02 2 578 59 59 CYS C C 174.116 0.4 1 579 60 60 MET N N 119.335 0.4 1 580 60 60 MET H H 7.845 0.02 1 581 60 60 MET CA C 53.916 0.4 1 582 60 60 MET HA H 4.162 0.02 1 583 60 60 MET CB C 28.230 0.4 1 584 60 60 MET HB3 H 1.666 0.02 2 585 60 60 MET CG C 27.928 0.4 1 586 60 60 MET HG3 H 1.909 0.02 2 587 60 60 MET C C 176.993 0.4 1 588 60 60 MET HB2 H 1.801 0.02 2 589 60 60 MET HG2 H 1.909 0.02 2 590 61 61 ARG N N 121.784 0.4 1 591 61 61 ARG H H 8.707 0.02 1 592 61 61 ARG CA C 56.478 0.4 1 593 61 61 ARG HA H 4.156 0.02 1 594 61 61 ARG CB C 27.353 0.4 1 595 61 61 ARG HB3 H 1.801 0.02 2 596 61 61 ARG CG C 24.926 0.4 1 597 61 61 ARG HG3 H 1.571 0.02 2 598 61 61 ARG CD C 40.459 0.4 1 599 61 61 ARG HD3 H 3.030 0.02 2 600 61 61 ARG C C 178.202 0.4 1 601 61 61 ARG HB2 H 1.801 0.02 2 602 61 61 ARG HD2 H 3.064 0.02 2 603 61 61 ARG HG2 H 1.677 0.02 2 604 62 62 ALA N N 122.367 0.4 1 605 62 62 ALA H H 7.807 0.02 1 606 62 62 ALA CA C 51.778 0.4 1 607 62 62 ALA HA H 4.032 0.02 1 608 62 62 ALA HB H 1.331 0.02 1 609 62 62 ALA CB C 14.868 0.4 1 610 62 62 ALA C C 176.352 0.4 1 611 63 63 LEU N N 116.579 0.4 1 612 63 63 LEU H H 7.159 0.02 1 613 63 63 LEU CA C 52.044 0.4 1 614 63 63 LEU HA H 4.205 0.02 1 615 63 63 LEU CB C 40.209 0.4 1 616 63 63 LEU HB3 H 1.528 0.02 2 617 63 63 LEU CG C 24.531 0.4 1 618 63 63 LEU HG H 1.853 0.02 1 619 63 63 LEU HD1 H 0.818 0.02 2 620 63 63 LEU HD2 H 1.071 0.02 2 621 63 63 LEU CD1 C 19.843 0.4 1 622 63 63 LEU CD2 C 23.780 0.4 1 623 63 63 LEU C C 174.219 0.4 1 624 63 63 LEU HB2 H 1.924 0.02 2 625 64 64 GLY N N 105.680 0.4 1 626 64 64 GLY H H 7.734 0.02 1 627 64 64 GLY CA C 42.110 0.4 1 628 64 64 GLY HA3 H 3.923 0.02 2 629 64 64 GLY C C 171.536 0.4 1 630 64 64 GLY HA2 H 3.500 0.02 2 631 65 65 PHE N N 119.549 0.4 1 632 65 65 PHE H H 7.704 0.02 1 633 65 65 PHE CA C 54.498 0.4 1 634 65 65 PHE HA H 4.535 0.02 1 635 65 65 PHE CB C 36.947 0.4 1 636 65 65 PHE HB3 H 2.594 0.02 2 637 65 65 PHE HD1 H 7.240 0.02 1 638 65 65 PHE HE1 H 7.160 0.02 1 639 65 65 PHE HZ H 7.120 0.02 1 640 65 65 PHE HE2 H 7.160 0.02 1 641 65 65 PHE HD2 H 7.240 0.02 1 642 65 65 PHE C C 172.423 0.4 1 643 65 65 PHE HB2 H 2.938 0.02 2 644 66 66 LYS N N 123.711 0.4 1 645 66 66 LYS H H 8.493 0.02 1 646 66 66 LYS CA C 53.129 0.4 1 647 66 66 LYS HA H 4.262 0.02 1 648 66 66 LYS CB C 29.191 0.4 1 649 66 66 LYS HB3 H 1.700 0.02 2 650 66 66 LYS CG C 21.803 0.4 1 651 66 66 LYS HG3 H 1.265 0.02 2 652 66 66 LYS CD C 26.061 0.4 1 653 66 66 LYS HD3 H 1.661 0.02 2 654 66 66 LYS CE C 39.171 0.4 1 655 66 66 LYS HE3 H 2.920 0.02 2 656 66 66 LYS C C 172.406 0.4 1 657 66 66 LYS HB2 H 1.700 0.02 2 658 66 66 LYS HD2 H 1.661 0.02 2 659 66 66 LYS HE2 H 2.920 0.02 2 660 66 66 LYS HG2 H 1.374 0.02 2 661 67 67 ILE N N 127.610 0.4 1 662 67 67 ILE H H 7.568 0.02 1 663 67 67 ILE CA C 58.527 0.4 1 664 67 67 ILE HA H 4.020 0.02 1 665 67 67 ILE CB C 36.969 0.4 1 666 67 67 ILE HB H 1.721 0.02 1 667 67 67 ILE HG2 H 0.743 0.02 1 668 67 67 ILE CG2 C 15.161 0.4 1 669 67 67 ILE CG1 C 24.677 0.4 1 670 67 67 ILE HG13 H 1.021 0.02 2 671 67 67 ILE HD1 H 0.764 0.02 1 672 67 67 ILE CD1 C 11.513 0.4 1 673 67 67 ILE C C 177.412 0.4 1 674 67 67 ILE HG12 H 1.252 0.02 2 stop_ save_