data_16492 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Structure of Anti-TRAP ; _BMRB_accession_number 16492 _BMRB_flat_file_name bmr16492.str _Entry_type original _Submission_date 2009-09-12 _Accession_date 2009-09-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 McElroy Craig A. . 2 Gollnick Paul . . 3 Foster Mark P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 286 "13C chemical shifts" 223 "15N chemical shifts" 53 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-18 original author . stop_ _Original_release_date 2010-10-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Mechanism for pH-dependent gene regulation by amino-terminus-mediated homooligomerization of Bacillus subtilis anti-trp RNA-binding attenuation protein.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20713740 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sachleben Joseph R. . 2 McElroy Craig A. . 3 Gollnick Paul . . 4 Foster Mark P. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 107 _Journal_issue 35 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 15385 _Page_last 15390 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Anti-TRAP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1_1 $entity_1 entity_1_2 $entity_1 entity_1_3 $entity_1 'ZINC ION ON 3-FOLD CRYSTAL AXIS_1' $ZN 'ZINC ION ON 3-FOLD CRYSTAL AXIS_2' $ZN 'ZINC ION ON 3-FOLD CRYSTAL AXIS_3' $ZN 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Anti-TRAP _Molecular_mass 5683.610 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 53 _Mol_residue_sequence ; XVIATDDLEVACPKCERAGE IEGTPCPACSGKGVILTAQG YTLLDFIQKHLNK ; loop_ _Residue_seq_code _Residue_label 1 FME 2 VAL 3 ILE 4 ALA 5 THR 6 ASP 7 ASP 8 LEU 9 GLU 10 VAL 11 ALA 12 CYS 13 PRO 14 LYS 15 CYS 16 GLU 17 ARG 18 ALA 19 GLY 20 GLU 21 ILE 22 GLU 23 GLY 24 THR 25 PRO 26 CYS 27 PRO 28 ALA 29 CYS 30 SER 31 GLY 32 LYS 33 GLY 34 VAL 35 ILE 36 LEU 37 THR 38 ALA 39 GLN 40 GLY 41 TYR 42 THR 43 LEU 44 LEU 45 ASP 46 PHE 47 ILE 48 GLN 49 LYS 50 HIS 51 LEU 52 ASN 53 LYS 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 2BX9 "Crystal Structure Of B.Subtilis Anti-Trap Protein, An Antagonist Of Trap-Rna Interactions" 98.11 53 100.00 100.00 6.69e-29 PDB 2KO8 "The Structure Of Anti-Trap" 98.11 53 100.00 100.00 8.50e-29 PDB 2ZP8 "The Nature Of The Trap:anti-trap Complex" 98.11 53 100.00 100.00 6.69e-29 PDB 2ZP9 "The Nature Of The Trap:anti-trap Complex" 98.11 53 100.00 100.00 6.69e-29 DBJ BAI83705 "hypothetical protein BSNT_06566 [Bacillus subtilis subsp. natto BEST195]" 98.11 53 100.00 100.00 6.69e-29 DBJ BAM49183 "anti-TRAP regulator [Bacillus subtilis BEST7613]" 98.11 53 100.00 100.00 6.69e-29 DBJ BAM56453 "anti-TRAP regulator [Bacillus subtilis BEST7003]" 98.11 53 100.00 100.00 6.69e-29 DBJ GAK80258 "anti-TRAP regulator [Bacillus subtilis Miyagi-4]" 98.11 53 100.00 100.00 6.69e-29 EMBL CAB12047 "anti-TRAP regulator [Bacillus subtilis subsp. subtilis str. 168]" 98.11 53 100.00 100.00 6.69e-29 EMBL CCU56704 "inhibitor of TRAP, regulated by T-BOX (trp) sequence RtpA [Bacillus subtilis E1]" 98.11 53 100.00 100.00 6.69e-29 EMBL CEI55371 "tryptophan RNA-binding attenuator protein inhibitory protein [Bacillus subtilis]" 98.11 53 100.00 100.00 6.69e-29 EMBL CEJ75796 "tryptophan RNA-binding attenuator protein inhibitory protein [Bacillus sp.]" 98.11 53 100.00 100.00 6.69e-29 EMBL CJR84280 "Anti-TRAP protein [Streptococcus pneumoniae]" 98.11 53 100.00 100.00 6.69e-29 GB ADV95181 "anti-TRAP regulator [Bacillus subtilis BSn5]" 98.11 53 98.08 100.00 1.03e-28 GB AEP89314 "conserved domain protein [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 98.11 53 100.00 100.00 6.69e-29 GB AFI26795 "anti-TRAP regulator [Bacillus sp. JS]" 98.11 53 98.08 98.08 2.60e-28 GB AFQ56187 "Anti-TRAP regulator [Bacillus subtilis QB928]" 98.11 53 100.00 100.00 6.69e-29 GB AGA22564 "Tryptophan RNA-binding attenuator protein-inhibitory protein (Anti TRAP protein) [Bacillus subtilis subsp. subtilis str. BSP1]" 98.11 53 100.00 100.00 6.69e-29 REF NP_388135 "tryptophan RNA-binding attenuator protein inhibitory protein [Bacillus subtilis subsp. subtilis str. 168]" 98.11 53 100.00 100.00 6.69e-29 REF WP_003234807 "MULTISPECIES: tryptophan RNA-binding attenuator protein inhibitory protein [Bacillus]" 98.11 53 100.00 100.00 6.69e-29 REF WP_014662639 "tryptophan RNA-binding attenuator protein inhibitory protein [Bacillus sp. JS]" 98.11 53 98.08 98.08 2.60e-28 REF WP_015382665 "anti-TRAP regulator [Bacillus subtilis]" 98.11 53 98.08 100.00 2.49e-28 REF WP_015715179 "MULTISPECIES: tryptophan RNA-binding attenuator protein inhibitory protein [Bacillus]" 98.11 53 98.08 100.00 1.03e-28 SP O31466 "RecName: Full=Tryptophan RNA-binding attenuator protein inhibitory protein; AltName: Full=Anti-TRAP protein; Short=AT" 98.11 53 100.00 100.00 6.69e-29 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_FME _Saveframe_category polymer_residue _Mol_type 'L-peptide linking' _Name_common N-FORMYLMETHIONINE _BMRB_code . _PDB_code FME _Standard_residue_derivative . _Molecular_mass 177.221 _Mol_paramagnetic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 14:07:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C C C . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CE CE C . 0 . ? CG CG C . 0 . ? CN CN C . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HCN HCN H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HE3 HE3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HXT HXT H . 0 . ? N N N . 0 . ? O O O . 0 . ? O1 O1 O . 0 . ? OXT OXT O . 0 . ? SD SD S . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CN ? ? SING N CA ? ? SING N H ? ? DOUB CN O1 ? ? SING CN HCN ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG SD ? ? SING CG HG2 ? ? SING CG HG3 ? ? SING SD CE ? ? SING CE HE1 ? ? SING CE HE2 ? ? SING CE HE3 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . 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_1 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis ycza 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_1 'recombinant technology' . Escherichia coli DE3 pet24a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 7.5 at RT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 . mM 5 10 '[U-13C; U-15N]' TRIS 20 mM . . [U-2H] beta-mercaptoethanol 20 mM . . 'natural abundance' $ZN 1 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'pH 7.5 at RT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 . mM 5 10 '[U-13C; U-15N]' TRIS 20 mM . . [U-2H] beta-mercaptoethanol 20 mM . . 'natural abundance' $ZN 1 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_HACAHB-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACAHB-COSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N/13C_TIME-SHARED_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N/13C TIME-SHARED NOESY' _Sample_label $sample_1 save_ save_2D_HCCH-COSY_AROMATIC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HCCH-COSY AROMATIC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_AROMATIC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC AROMATIC' _Sample_label $sample_2 save_ save_2D_IPAP_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP' _Sample_label $sample_1 save_ save_2D_15N_HETERONUCLEAR_NOE_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N HETERONUCLEAR NOE' _Sample_label $sample_1 save_ save_2D_15N_HETERONUCLEAR_T2_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N HETERONUCLEAR T2' _Sample_label $sample_1 save_ save_2D_15N_HETERONUCLEAR_T1_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N HETERONUCLEAR T1' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7.5 . pH pressure 1 . atm temperature 328 . 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 na indirect . . . 0.251449530 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_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCACB' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-COSY' '3D 1H-15N TOCSY' '2D 1H-13C HSQC' '2D HCCH-COSY AROMATIC' '2D 1H-13C HSQC AROMATIC' 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 entity_1_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 FME C1 C 181.559 . 1 2 1 1 FME C C 174.943 . 1 3 1 1 FME CA C 53.868 . 1 4 1 1 FME CB C 33.797 . 1 5 1 1 FME CE C 17.068 . 1 6 1 1 FME CG C 31.661 . 1 7 1 1 FME H1 H 8.141 . 1 8 1 1 FME HA H 4.583 . 1 9 1 1 FME HB1 H 1.913 . 2 10 1 1 FME HB2 H 1.998 . 2 11 1 1 FME HE1 H 2.049 . 1 12 1 1 FME HG2 H 2.388 . 2 13 1 1 FME HN H 8.157 . 1 14 1 1 FME N N 128.957 . 1 15 2 2 VAL H H 8.132 . 1 16 2 2 VAL HA H 4.052 . 1 17 2 2 VAL HB H 1.952 . 1 18 2 2 VAL HG1 H 0.950 . 2 19 2 2 VAL HG2 H 0.880 . 2 20 2 2 VAL C C 175.655 . 1 21 2 2 VAL CA C 63.818 . 1 22 2 2 VAL CB C 32.985 . 1 23 2 2 VAL CG1 C 21.165 . 1 24 2 2 VAL CG2 C 21.450 . 1 25 2 2 VAL N N 123.061 . 1 26 3 3 ILE H H 8.364 . 1 27 3 3 ILE HA H 4.253 . 1 28 3 3 ILE HB H 1.536 . 1 29 3 3 ILE HD1 H 0.620 . 1 30 3 3 ILE HG12 H 0.941 . 1 31 3 3 ILE HG13 H 1.431 . 1 32 3 3 ILE HG2 H 0.684 . 2 33 3 3 ILE C C 173.717 . 1 34 3 3 ILE CA C 60.595 . 1 35 3 3 ILE CB C 40.467 . 1 36 3 3 ILE CD1 C 13.192 . 1 37 3 3 ILE CG1 C 27.617 . 2 38 3 3 ILE CG2 C 18.073 . 1 39 3 3 ILE N N 121.596 . 1 40 4 4 ALA H H 9.143 . 1 41 4 4 ALA HA H 4.805 . 1 42 4 4 ALA HB H 1.451 . 1 43 4 4 ALA C C 178.701 . 1 44 4 4 ALA CA C 50.326 . 1 45 4 4 ALA CB C 21.255 . 1 46 4 4 ALA N N 130.599 . 1 47 5 5 THR H H 8.630 . 1 48 5 5 THR HA H 3.712 . 1 49 5 5 THR HB H 4.115 . 1 50 5 5 THR HG2 H 1.367 . 1 51 5 5 THR C C 176.369 . 1 52 5 5 THR CA C 67.869 . 1 53 5 5 THR CB C 68.757 . 1 54 5 5 THR CG2 C 22.558 . 1 55 5 5 THR N N 118.498 . 1 56 6 6 ASP H H 8.187 . 1 57 6 6 ASP HA H 4.810 . 1 58 6 6 ASP HB2 H 2.571 . 2 59 6 6 ASP HB3 H 2.753 . 2 60 6 6 ASP C C 175.645 . 1 61 6 6 ASP CA C 55.493 . 1 62 6 6 ASP CB C 40.250 . 1 63 6 6 ASP N N 117.175 . 1 64 7 7 ASP H H 7.583 . 1 65 7 7 ASP HA H 4.635 . 1 66 7 7 ASP HB2 H 2.669 . 2 67 7 7 ASP HB3 H 2.787 . 2 68 7 7 ASP C C 177.626 . 1 69 7 7 ASP CA C 55.605 . 1 70 7 7 ASP CB C 41.877 . 1 71 7 7 ASP N N 114.918 . 1 72 8 8 LEU H H 7.889 . 1 73 8 8 LEU HA H 3.823 . 1 74 8 8 LEU HB2 H 0.416 . 2 75 8 8 LEU HB3 H 1.554 . 2 76 8 8 LEU HD1 H 0.175 . 2 77 8 8 LEU HD2 H 0.140 . 2 78 8 8 LEU HG H 1.290 . 1 79 8 8 LEU C C 174.950 . 1 80 8 8 LEU CA C 56.449 . 1 81 8 8 LEU CB C 43.008 . 1 82 8 8 LEU CD1 C 24.477 . 1 83 8 8 LEU CD2 C 22.280 . 1 84 8 8 LEU CG C 25.180 . 1 85 8 8 LEU N N 122.542 . 1 86 9 9 GLU H H 7.971 . 1 87 9 9 GLU HA H 5.245 . 1 88 9 9 GLU HB2 H 1.770 . 2 89 9 9 GLU HB3 H 2.248 . 2 90 9 9 GLU HG2 H 2.081 . 2 91 9 9 GLU HG3 H 2.218 . 2 92 9 9 GLU C C 173.919 . 1 93 9 9 GLU CA C 54.568 . 1 94 9 9 GLU CB C 32.954 . 1 95 9 9 GLU CG C 34.894 . 1 96 9 9 GLU N N 116.149 . 1 97 10 10 VAL H H 8.890 . 1 98 10 10 VAL HA H 4.678 . 1 99 10 10 VAL HB H 2.156 . 1 100 10 10 VAL HG1 H 0.815 . 2 101 10 10 VAL HG2 H 0.923 . 2 102 10 10 VAL C C 174.763 . 1 103 10 10 VAL CA C 58.691 . 1 104 10 10 VAL CB C 35.877 . 1 105 10 10 VAL CG1 C 19.162 . 1 106 10 10 VAL CG2 C 21.722 . 1 107 10 10 VAL N N 116.172 . 1 108 11 11 ALA H H 8.363 . 1 109 11 11 ALA HA H 4.101 . 1 110 11 11 ALA HB H 1.328 . 1 111 11 11 ALA C C 176.375 . 1 112 11 11 ALA CA C 52.779 . 1 113 11 11 ALA CB C 19.356 . 1 114 11 11 ALA N N 124.446 . 1 115 12 12 CYS H H 8.087 . 1 116 12 12 CYS HA H 4.432 . 1 117 12 12 CYS HB2 H 3.139 . 2 118 12 12 CYS HB3 H 2.209 . 2 119 12 12 CYS CA C 56.965 . 1 120 12 12 CYS CB C 32.205 . 1 121 12 12 CYS N N 125.415 . 1 122 13 13 PRO HA H 4.525 . 1 123 13 13 PRO HB2 H 1.990 . 2 124 13 13 PRO HB3 H 2.310 . 2 125 13 13 PRO HD2 H 4.104 . 2 126 13 13 PRO HD3 H 4.040 . 2 127 13 13 PRO HG2 H 1.982 . 2 128 13 13 PRO HG3 H 2.108 . 2 129 13 13 PRO C C 177.326 . 1 130 13 13 PRO CA C 63.917 . 1 131 13 13 PRO CB C 32.610 . 1 132 13 13 PRO CD C 51.285 . 1 133 13 13 PRO CG C 26.829 . 1 134 14 14 LYS H H 8.887 . 1 135 14 14 LYS HA H 4.330 . 1 136 14 14 LYS HB2 H 1.708 . 2 137 14 14 LYS HB3 H 1.892 . 2 138 14 14 LYS HD2 H 1.670 . 2 139 14 14 LYS HD3 H 1.710 . 2 140 14 14 LYS HE2 H 3.003 . 2 141 14 14 LYS HE3 H 2.956 . 2 142 14 14 LYS HG2 H 1.459 . 2 143 14 14 LYS HG3 H 1.422 . 2 144 14 14 LYS C C 176.934 . 1 145 14 14 LYS CA C 57.991 . 1 146 14 14 LYS CB C 32.974 . 1 147 14 14 LYS CD C 28.810 . 1 148 14 14 LYS CE C 41.957 . 1 149 14 14 LYS CG C 25.319 . 1 150 14 14 LYS N N 123.215 . 1 151 15 15 CYS H H 7.938 . 1 152 15 15 CYS HA H 4.893 . 1 153 15 15 CYS HB2 H 2.819 . 2 154 15 15 CYS HB3 H 3.120 . 2 155 15 15 CYS C C 177.407 . 1 156 15 15 CYS CA C 57.972 . 1 157 15 15 CYS CB C 31.889 . 1 158 15 15 CYS N N 115.545 . 1 159 16 16 GLU H H 8.191 . 1 160 16 16 GLU HA H 4.029 . 1 161 16 16 GLU HB2 H 2.044 . 2 162 16 16 GLU HB3 H 2.204 . 2 163 16 16 GLU HG2 H 2.135 . 2 164 16 16 GLU C C 176.014 . 1 165 16 16 GLU CA C 57.727 . 1 166 16 16 GLU CB C 27.439 . 1 167 16 16 GLU CG C 36.736 . 1 168 16 16 GLU N N 124.275 . 1 169 17 17 ARG H H 7.463 . 1 170 17 17 ARG HA H 4.685 . 1 171 17 17 ARG HB2 H 2.186 . 2 172 17 17 ARG HB3 H 2.270 . 2 173 17 17 ARG HD2 H 3.183 . 2 174 17 17 ARG HD3 H 3.231 . 2 175 17 17 ARG HG2 H 1.633 . 2 176 17 17 ARG HG3 H 1.841 . 2 177 17 17 ARG C C 176.433 . 1 178 17 17 ARG CA C 58.797 . 1 179 17 17 ARG CB C 30.158 . 1 180 17 17 ARG CD C 43.693 . 1 181 17 17 ARG CG C 29.468 . 1 182 17 17 ARG N N 109.962 . 1 183 18 18 ALA H H 8.092 . 1 184 18 18 ALA HA H 4.269 . 1 185 18 18 ALA HB H 1.752 . 1 186 18 18 ALA C C 179.841 . 1 187 18 18 ALA CA C 54.759 . 1 188 18 18 ALA CB C 19.940 . 1 189 18 18 ALA N N 124.286 . 1 190 19 19 GLY H H 9.560 . 1 191 19 19 GLY HA2 H 3.337 . 2 192 19 19 GLY HA3 H 3.933 . 2 193 19 19 GLY C C 172.659 . 1 194 19 19 GLY CA C 45.200 . 1 195 19 19 GLY N N 108.379 . 1 196 20 20 GLU H H 7.042 . 1 197 20 20 GLU HA H 4.944 . 1 198 20 20 GLU HB2 H 1.637 . 2 199 20 20 GLU HB3 H 1.781 . 2 200 20 20 GLU HG2 H 1.944 . 2 201 20 20 GLU HG3 H 1.996 . 2 202 20 20 GLU C C 173.964 . 1 203 20 20 GLU CA C 54.160 . 1 204 20 20 GLU CB C 33.555 . 1 205 20 20 GLU CG C 34.865 . 1 206 20 20 GLU N N 118.042 . 1 207 21 21 ILE H H 8.785 . 1 208 21 21 ILE HA H 4.247 . 1 209 21 21 ILE HB H 1.806 . 1 210 21 21 ILE HD1 H 0.976 . 1 211 21 21 ILE HG12 H 1.143 . 1 212 21 21 ILE HG13 H 1.453 . 1 213 21 21 ILE HG2 H 0.947 . 2 214 21 21 ILE C C 175.690 . 1 215 21 21 ILE CA C 60.477 . 1 216 21 21 ILE CB C 40.447 . 1 217 21 21 ILE CD1 C 14.041 . 1 218 21 21 ILE CG1 C 27.329 . 2 219 21 21 ILE CG2 C 17.658 . 1 220 21 21 ILE N N 121.174 . 1 221 22 22 GLU H H 9.348 . 1 222 22 22 GLU HA H 3.870 . 1 223 22 22 GLU HB2 H 2.019 . 2 224 22 22 GLU HB3 H 2.274 . 2 225 22 22 GLU HG2 H 2.306 . 2 226 22 22 GLU C C 176.709 . 1 227 22 22 GLU CA C 57.213 . 1 228 22 22 GLU CB C 27.821 . 1 229 22 22 GLU CG C 36.752 . 1 230 22 22 GLU N N 126.814 . 1 231 23 23 GLY H H 8.553 . 1 232 23 23 GLY HA2 H 3.648 . 2 233 23 23 GLY HA3 H 4.170 . 2 234 23 23 GLY C C 174.162 . 1 235 23 23 GLY CA C 45.629 . 1 236 23 23 GLY N N 104.857 . 1 237 24 24 THR H H 7.834 . 1 238 24 24 THR HA H 4.893 . 1 239 24 24 THR HB H 4.187 . 1 240 24 24 THR HG2 H 1.294 . 1 241 24 24 THR CA C 59.206 . 1 242 24 24 THR CB C 70.790 . 1 243 24 24 THR CG2 C 21.314 . 1 244 24 24 THR N N 117.039 . 1 245 25 25 PRO HA H 4.437 . 1 246 25 25 PRO HB2 H 1.775 . 2 247 25 25 PRO HB3 H 2.164 . 2 248 25 25 PRO HD2 H 3.706 . 2 249 25 25 PRO HD3 H 3.938 . 2 250 25 25 PRO HG2 H 2.023 . 2 251 25 25 PRO HG3 H 2.125 . 2 252 25 25 PRO C C 175.922 . 1 253 25 25 PRO CA C 63.310 . 1 254 25 25 PRO CB C 31.743 . 1 255 25 25 PRO CD C 51.167 . 1 256 25 25 PRO CG C 27.918 . 1 257 26 26 CYS H H 8.032 . 1 258 26 26 CYS HA H 4.378 . 1 259 26 26 CYS HB2 H 2.113 . 2 260 26 26 CYS HB3 H 3.169 . 2 261 26 26 CYS CA C 56.868 . 1 262 26 26 CYS CB C 31.905 . 1 263 26 26 CYS N N 128.718 . 1 264 27 27 PRO HA H 4.531 . 1 265 27 27 PRO HB2 H 2.029 . 2 266 27 27 PRO HB3 H 2.340 . 2 267 27 27 PRO HD2 H 4.031 . 2 268 27 27 PRO HD3 H 3.941 . 2 269 27 27 PRO HG2 H 1.980 . 2 270 27 27 PRO HG3 H 2.108 . 2 271 27 27 PRO C C 178.117 . 1 272 27 27 PRO CA C 63.851 . 1 273 27 27 PRO CB C 32.294 . 1 274 27 27 PRO CD C 51.163 . 1 275 27 27 PRO CG C 26.829 . 1 276 28 28 ALA H H 8.794 . 1 277 28 28 ALA HA H 4.356 . 1 278 28 28 ALA HB H 1.441 . 1 279 28 28 ALA C C 178.095 . 1 280 28 28 ALA CA C 54.680 . 1 281 28 28 ALA CB C 19.940 . 1 282 28 28 ALA N N 126.025 . 1 283 29 29 CYS H H 7.727 . 1 284 29 29 CYS HA H 5.008 . 1 285 29 29 CYS HB2 H 2.695 . 2 286 29 29 CYS HB3 H 3.366 . 2 287 29 29 CYS C C 178.081 . 1 288 29 29 CYS CA C 57.226 . 1 289 29 29 CYS CB C 31.847 . 1 290 29 29 CYS N N 114.109 . 1 291 30 30 SER H H 7.891 . 1 292 30 30 SER HA H 4.225 . 1 293 30 30 SER HB2 H 4.117 . 2 294 30 30 SER HB3 H 4.234 . 2 295 30 30 SER C C 174.473 . 1 296 30 30 SER CA C 59.320 . 1 297 30 30 SER CB C 62.046 . 1 298 30 30 SER N N 119.353 . 1 299 31 31 GLY H H 8.340 . 1 300 31 31 GLY HA2 H 4.318 . 2 301 31 31 GLY HA3 H 4.551 . 2 302 31 31 GLY C C 174.709 . 1 303 31 31 GLY CA C 44.907 . 1 304 31 31 GLY N N 107.525 . 1 305 32 32 LYS H H 7.796 . 1 306 32 32 LYS HA H 4.291 . 1 307 32 32 LYS HB2 H 1.969 . 2 308 32 32 LYS HB3 H 2.249 . 2 309 32 32 LYS HD2 H 1.710 . 2 310 32 32 LYS HE2 H 3.098 . 2 311 32 32 LYS HG2 H 1.605 . 2 312 32 32 LYS HG3 H 1.739 . 2 313 32 32 LYS C C 178.346 . 1 314 32 32 LYS CA C 57.965 . 1 315 32 32 LYS CB C 34.130 . 1 316 32 32 LYS CD C 29.150 . 1 317 32 32 LYS CE C 42.089 . 1 318 32 32 LYS CG C 25.630 . 1 319 32 32 LYS N N 119.832 . 1 320 33 33 GLY H H 10.109 . 1 321 33 33 GLY HA2 H 3.497 . 2 322 33 33 GLY HA3 H 3.984 . 2 323 33 33 GLY C C 171.673 . 1 324 33 33 GLY CA C 45.147 . 1 325 33 33 GLY N N 112.494 . 1 326 34 34 VAL H H 6.803 . 1 327 34 34 VAL HA H 5.104 . 1 328 34 34 VAL HB H 1.955 . 1 329 34 34 VAL HG1 H 0.769 . 2 330 34 34 VAL HG2 H 0.821 . 2 331 34 34 VAL C C 173.576 . 1 332 34 34 VAL CA C 57.972 . 1 333 34 34 VAL CB C 36.665 . 1 334 34 34 VAL CG1 C 17.554 . 1 335 34 34 VAL CG2 C 21.904 . 1 336 34 34 VAL N N 110.007 . 1 337 35 35 ILE H H 9.111 . 1 338 35 35 ILE HA H 4.512 . 1 339 35 35 ILE HB H 1.864 . 1 340 35 35 ILE HD1 H 0.911 . 1 341 35 35 ILE HG12 H 1.039 . 1 342 35 35 ILE HG13 H 1.401 . 1 343 35 35 ILE HG2 H 1.009 . 2 344 35 35 ILE C C 175.232 . 1 345 35 35 ILE CA C 59.300 . 1 346 35 35 ILE CB C 40.804 . 1 347 35 35 ILE CD1 C 13.451 . 1 348 35 35 ILE CG1 C 27.082 . 2 349 35 35 ILE CG2 C 17.878 . 1 350 35 35 ILE N N 118.666 . 1 351 36 36 LEU H H 8.253 . 1 352 36 36 LEU HA H 4.736 . 1 353 36 36 LEU HB2 H 1.407 . 2 354 36 36 LEU HD1 H 0.561 . 2 355 36 36 LEU HD2 H 0.455 . 2 356 36 36 LEU HG H 1.649 . 1 357 36 36 LEU C C 178.384 . 1 358 36 36 LEU CA C 55.632 . 1 359 36 36 LEU CB C 42.625 . 1 360 36 36 LEU CD1 C 25.352 . 1 361 36 36 LEU CD2 C 24.282 . 1 362 36 36 LEU CG C 28.139 . 1 363 36 36 LEU N N 124.662 . 1 364 37 37 THR H H 7.671 . 1 365 37 37 THR HA H 4.482 . 1 366 37 37 THR HB H 4.825 . 1 367 37 37 THR HG2 H 1.062 . 1 368 37 37 THR C C 175.233 . 1 369 37 37 THR CA C 59.828 . 1 370 37 37 THR CB C 71.384 . 1 371 37 37 THR CG2 C 21.651 . 1 372 37 37 THR N N 111.193 . 1 373 38 38 ALA H H 8.896 . 1 374 38 38 ALA HA H 4.343 . 1 375 38 38 ALA HB H 1.542 . 1 376 38 38 ALA C C 181.063 . 1 377 38 38 ALA CA C 55.954 . 1 378 38 38 ALA CB C 17.878 . 1 379 38 38 ALA N N 123.351 . 1 380 39 39 GLN H H 8.642 . 1 381 39 39 GLN HA H 4.577 . 1 382 39 39 GLN HB2 H 2.105 . 2 383 39 39 GLN HB3 H 2.316 . 2 384 39 39 GLN HE21 H 7.105 . 2 385 39 39 GLN HE22 H 8.306 . 2 386 39 39 GLN HG2 H 2.170 . 2 387 39 39 GLN C C 178.992 . 1 388 39 39 GLN CA C 58.440 . 1 389 39 39 GLN CB C 29.403 . 1 390 39 39 GLN CG C 35.310 . 1 391 39 39 GLN N N 119.307 . 1 392 39 39 GLN NE2 N 112.828 . 1 393 40 40 GLY H H 8.413 . 1 394 40 40 GLY HA2 H 3.648 . 2 395 40 40 GLY HA3 H 4.292 . 2 396 40 40 GLY C C 175.273 . 1 397 40 40 GLY CA C 48.381 . 1 398 40 40 GLY N N 111.310 . 1 399 41 41 TYR H H 9.067 . 1 400 41 41 TYR HA H 4.180 . 1 401 41 41 TYR HB2 H 3.061 . 2 402 41 41 TYR HB3 H 3.175 . 2 403 41 41 TYR HD1 H 7.070 . 3 404 41 41 TYR HE1 H 6.780 . 3 405 41 41 TYR C C 177.744 . 1 406 41 41 TYR CA C 62.940 . 1 407 41 41 TYR CB C 38.260 . 1 408 41 41 TYR CD1 C 133.320 . 3 409 41 41 TYR CE1 C 118.480 . 3 410 41 41 TYR N N 122.451 . 1 411 42 42 THR H H 8.251 . 1 412 42 42 THR HA H 3.934 . 1 413 42 42 THR HB H 4.309 . 1 414 42 42 THR HG2 H 1.200 . 1 415 42 42 THR C C 176.839 . 1 416 42 42 THR CA C 67.453 . 1 417 42 42 THR CB C 69.179 . 1 418 42 42 THR CG2 C 20.503 . 1 419 42 42 THR N N 116.446 . 1 420 43 43 LEU H H 7.629 . 1 421 43 43 LEU HA H 4.122 . 1 422 43 43 LEU HB2 H 1.615 . 2 423 43 43 LEU HB3 H 1.877 . 2 424 43 43 LEU HD1 H 0.818 . 2 425 43 43 LEU HD2 H 0.769 . 2 426 43 43 LEU HG H 1.780 . 1 427 43 43 LEU C C 177.633 . 1 428 43 43 LEU CA C 58.216 . 1 429 43 43 LEU CB C 42.488 . 1 430 43 43 LEU CD1 C 25.138 . 1 431 43 43 LEU CD2 C 23.939 . 1 432 43 43 LEU CG C 27.283 . 1 433 43 43 LEU N N 120.003 . 1 434 44 44 LEU H H 8.483 . 1 435 44 44 LEU HA H 4.009 . 1 436 44 44 LEU HB2 H 1.613 . 2 437 44 44 LEU HB3 H 1.819 . 2 438 44 44 LEU HD1 H 0.758 . 2 439 44 44 LEU HD2 H 0.719 . 2 440 44 44 LEU HG H 1.700 . 1 441 44 44 LEU C C 178.271 . 1 442 44 44 LEU CA C 58.493 . 1 443 44 44 LEU CB C 42.329 . 1 444 44 44 LEU CD1 C 25.650 . 1 445 44 44 LEU CD2 C 24.425 . 1 446 44 44 LEU CG C 27.030 . 1 447 44 44 LEU N N 120.208 . 1 448 45 45 ASP H H 8.829 . 1 449 45 45 ASP HA H 4.316 . 1 450 45 45 ASP HB2 H 2.574 . 2 451 45 45 ASP C C 178.078 . 1 452 45 45 ASP CA C 57.589 . 1 453 45 45 ASP CB C 41.571 . 1 454 45 45 ASP N N 119.159 . 1 455 46 46 PHE H H 7.385 . 1 456 46 46 PHE HA H 4.408 . 1 457 46 46 PHE HB2 H 3.238 . 2 458 46 46 PHE HB3 H 3.462 . 2 459 46 46 PHE HD1 H 7.225 . 3 460 46 46 PHE HE1 H 7.100 . 3 461 46 46 PHE HZ H 6.930 . 1 462 46 46 PHE C C 176.336 . 1 463 46 46 PHE CA C 61.310 . 1 464 46 46 PHE CB C 39.664 . 1 465 46 46 PHE CD1 C 133.380 . 3 466 46 46 PHE CE1 C 131.700 . 3 467 46 46 PHE CZ C 129.750 . 1 468 46 46 PHE N N 118.338 . 1 469 47 47 ILE H H 8.114 . 1 470 47 47 ILE HA H 3.450 . 1 471 47 47 ILE HB H 2.258 . 1 472 47 47 ILE HD1 H 0.923 . 1 473 47 47 ILE HG12 H 1.686 . 1 474 47 47 ILE HG13 H 1.763 . 1 475 47 47 ILE HG2 H 0.936 . 2 476 47 47 ILE C C 177.758 . 1 477 47 47 ILE CA C 62.826 . 1 478 47 47 ILE CB C 36.752 . 1 479 47 47 ILE CD1 C 11.306 . 1 480 47 47 ILE CG1 C 28.401 . 2 481 47 47 ILE CG2 C 18.663 . 1 482 47 47 ILE N N 118.213 . 1 483 48 48 GLN H H 8.743 . 1 484 48 48 GLN HA H 3.858 . 1 485 48 48 GLN HB2 H 2.088 . 2 486 48 48 GLN HB3 H 2.221 . 2 487 48 48 GLN HE21 H 7.168 . 2 488 48 48 GLN HE22 H 6.783 . 2 489 48 48 GLN HG2 H 2.357 . 2 490 48 48 GLN HG3 H 2.538 . 2 491 48 48 GLN C C 178.092 . 1 492 48 48 GLN CA C 59.544 . 1 493 48 48 GLN CB C 28.706 . 1 494 48 48 GLN CG C 34.837 . 1 495 48 48 GLN N N 117.654 . 1 496 48 48 GLN NE2 N 110.703 . 1 497 49 49 LYS H H 7.645 . 1 498 49 49 LYS HA H 3.928 . 1 499 49 49 LYS HB2 H 1.442 . 2 500 49 49 LYS HB3 H 1.718 . 2 501 49 49 LYS HD2 H 1.518 . 2 502 49 49 LYS HE2 H 2.808 . 2 503 49 49 LYS HE3 H 2.881 . 2 504 49 49 LYS HG2 H 0.898 . 2 505 49 49 LYS HG3 H 1.095 . 2 506 49 49 LYS C C 177.679 . 1 507 49 49 LYS CA C 58.737 . 1 508 49 49 LYS CB C 32.485 . 1 509 49 49 LYS CD C 29.727 . 1 510 49 49 LYS CE C 41.805 . 1 511 49 49 LYS CG C 24.788 . 1 512 49 49 LYS N N 117.574 . 1 513 50 50 HIS H H 6.994 . 1 514 50 50 HIS HA H 4.490 . 1 515 50 50 HIS HB2 H 2.268 . 2 516 50 50 HIS HB3 H 2.993 . 2 517 50 50 HIS HD2 H 6.610 . 3 518 50 50 HIS HE1 H 8.110 . 3 519 50 50 HIS C C 175.910 . 1 520 50 50 HIS CA C 57.510 . 1 521 50 50 HIS CB C 33.401 . 1 522 50 50 HIS CD2 C 121.500 . 1 523 50 50 HIS CE1 C 136.500 . 1 524 50 50 HIS N N 114.793 . 1 525 51 51 LEU H H 8.018 . 1 526 51 51 LEU HA H 4.232 . 1 527 51 51 LEU HB2 H 1.615 . 2 528 51 51 LEU HB3 H 1.659 . 2 529 51 51 LEU HD1 H 0.781 . 2 530 51 51 LEU HD2 H 0.719 . 2 531 51 51 LEU HG H 1.711 . 1 532 51 51 LEU C C 176.720 . 1 533 51 51 LEU CA C 56.244 . 1 534 51 51 LEU CB C 42.466 . 1 535 51 51 LEU CD1 C 24.840 . 1 536 51 51 LEU CD2 C 24.503 . 1 537 51 51 LEU CG C 26.661 . 1 538 51 51 LEU N N 121.778 . 1 539 52 52 ASN H H 8.247 . 1 540 52 52 ASN HA H 4.681 . 1 541 52 52 ASN HB2 H 2.780 . 2 542 52 52 ASN HB3 H 2.896 . 2 543 52 52 ASN HD21 H 6.816 . 2 544 52 52 ASN HD22 H 7.490 . 2 545 52 52 ASN C C 173.916 . 1 546 52 52 ASN CA C 53.643 . 1 547 52 52 ASN CB C 38.782 . 1 548 52 52 ASN N N 120.775 . 1 549 52 52 ASN ND2 N 112.777 . 1 550 53 53 LYS H H 7.683 . 1 551 53 53 LYS HA H 4.194 . 1 552 53 53 LYS HB2 H 1.684 . 2 553 53 53 LYS HB3 H 1.845 . 2 554 53 53 LYS HD2 H 1.630 . 2 555 53 53 LYS HE2 H 3.021 . 2 556 53 53 LYS HG2 H 1.388 . 2 557 53 53 LYS CA C 57.569 . 1 558 53 53 LYS CB C 34.055 . 1 559 53 53 LYS CD C 29.040 . 1 560 53 53 LYS CE C 42.160 . 1 561 53 53 LYS CG C 24.704 . 1 562 53 53 LYS N N 126.780 . 1 stop_ save_