data_5711 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of HP0371, Biotin Carboxyl Carrier protein from Helocobacter pylori ; _BMRB_accession_number 5711 _BMRB_flat_file_name bmr5711.str _Entry_type original _Submission_date 2003-03-01 _Accession_date 2003-03-03 _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 Jung Jinwon . . 2 Lee Weontae . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 344 "13C chemical shifts" 211 "15N chemical shifts" 68 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-03-17 original author . stop_ _Original_release_date 2009-03-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure and backbone dynamics of the biotinylation domain of Helicobacter pylori biotin-carboxyl carrier protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jung Jinwon . . 2 Lee Chul-Jin . . 3 Jeon 'Young Ho' . . 4 Cheong Chaejoon . . 5 Lee Weontae . . stop_ _Journal_abbreviation 'B. Korean Chem. Soc.' _Journal_volume 29 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 347 _Page_last 351 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_system_fabE _Saveframe_category molecular_system _Mol_system_name 'Biotinoyl domain of HP0371' _Abbreviation_common fabE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Biotinoyl domain of HP0371' $Biotinoyl_domain_of_HP0371 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'Biotin carboxyl carrier protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Biotinoyl_domain_of_HP0371 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Biotinoyl domain of HP0371' _Name_variant HP0371 _Abbreviation_common BCCP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 78 _Mol_residue_sequence ; GSVLSPMVGTFYHAPSPGAE PYVKAGDTLKKGQIVGIVEA MKIMNEIEVEYPCKVVSVEV GDAQPVEYGTKLIKVEKL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 VAL 4 LEU 5 SER 6 PRO 7 MET 8 VAL 9 GLY 10 THR 11 PHE 12 TYR 13 HIS 14 ALA 15 PRO 16 SER 17 PRO 18 GLY 19 ALA 20 GLU 21 PRO 22 TYR 23 VAL 24 LYS 25 ALA 26 GLY 27 ASP 28 THR 29 LEU 30 LYS 31 LYS 32 GLY 33 GLN 34 ILE 35 VAL 36 GLY 37 ILE 38 VAL 39 GLU 40 ALA 41 MET 42 LYS 43 ILE 44 MET 45 ASN 46 GLU 47 ILE 48 GLU 49 VAL 50 GLU 51 TYR 52 PRO 53 CYS 54 LYS 55 VAL 56 VAL 57 SER 58 VAL 59 GLU 60 VAL 61 GLY 62 ASP 63 ALA 64 GLN 65 PRO 66 VAL 67 GLU 68 TYR 69 GLY 70 THR 71 LYS 72 LEU 73 ILE 74 LYS 75 VAL 76 GLU 77 LYS 78 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value DBJ BAJ55623 "biotin carboxyl carrier protein [Helicobacter pylori F16]" 97.44 156 100.00 100.00 9.57e-45 DBJ BAJ56401 "biotin carboxyl carrier protein [Helicobacter pylori F30]" 97.44 156 98.68 100.00 1.44e-44 DBJ BAJ58603 "biotin carboxyl carrier protein [Helicobacter pylori F32]" 97.44 156 100.00 100.00 7.87e-45 DBJ BAJ60120 "biotin carboxyl carrier protein [Helicobacter pylori F57]" 97.44 156 100.00 100.00 7.79e-45 DBJ BAM96952 "biotin carboxyl carrier protein [Helicobacter pylori OK113]" 97.44 156 98.68 100.00 1.14e-44 EMBL CAX29567 "Biotin carboxyl carrier protein of acetyl-CoA carboxylase (BCCP) [Helicobacter pylori B38]" 97.44 160 100.00 100.00 8.47e-45 EMBL CBI65976 "acetyl-CoA carboxylase biotin carboxyl carrier protein [Helicobacter pylori B8]" 97.44 160 100.00 100.00 6.82e-45 GB AAD07435 "biotin carboxyl carrier protein (fabE) [Helicobacter pylori 26695]" 97.44 156 100.00 100.00 9.67e-45 GB ABF85088 "biotin carboxyl carrier protein [Helicobacter pylori HPAG1]" 97.44 160 100.00 100.00 6.05e-45 GB ACD48521 "biotin carboxyl carrier protein (fabE) [Helicobacter pylori Shi470]" 97.44 156 100.00 100.00 9.78e-45 GB ACI27779 "biotin carboxyl carrier protein [Helicobacter pylori G27]" 97.44 157 100.00 100.00 7.12e-45 GB ACJ08202 "biotin carboxyl carrier protein [Helicobacter pylori P12]" 97.44 156 100.00 100.00 9.67e-45 REF NP_207169 "biotin carboxyl carrier protein FabE [Helicobacter pylori 26695]" 97.44 156 100.00 100.00 9.67e-45 REF WP_001053746 "acetyl-CoA carboxylase [Helicobacter pylori]" 97.44 157 100.00 100.00 8.65e-45 REF WP_001053747 "acetyl-CoA carboxylase [Helicobacter pylori]" 97.44 157 98.68 100.00 1.62e-44 REF WP_001053748 "acetyl-CoA carboxylase [Helicobacter pylori]" 97.44 157 98.68 100.00 2.04e-44 REF WP_001053749 "acetyl-CoA carboxylase [Helicobacter pylori]" 97.44 157 100.00 100.00 7.12e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _ATCC_number $Biotinoyl_domain_of_HP0371 'Helicobater pylori' . Eubacteria . Helicobater pylori 26695 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $Biotinoyl_domain_of_HP0371 'recombinant technology' 'E. coli' Escherichia coli BL21 (DE3) plasmid pET-15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Biotinoyl_domain_of_HP0371 2 mM '[U-95% 15N]' 'sodium phosphate buffer' 50 mM . NaCl 150 mM . DTT 1 mM . stop_ save_ save_sample_13C_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Biotinoyl_domain_of_HP0371 0.7 mM '[U-95% 13C; U-95% 15N]' 'sodium phosphate buffer' 50 mM . NaCl 150 mM . DTT 1 mM . stop_ save_ save_sample_13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Biotinoyl_domain_of_HP0371 0.4 mM '[U-95% 13C]' 'sodium phosphate buffer' 50 mM . NaCl 150 mM . DTT 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 loop_ _Task 'processing of data' stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3.106 loop_ _Task 'peak assignment' 'peak picking' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 1.7 loop_ _Task 'automated backbond assignment' stop_ _Details . save_ save_Cyana _Saveframe_category software _Name CYANA _Version 1.0.6 loop_ _Task 'structure calculation with automated NOESY assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA-UNITY-Plus _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-13C_CT-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT-HSQC' _Sample_label . save_ save_1H-15C_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15C TOCSY' _Sample_label . save_ save_1H-15C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15C NOESY' _Sample_label . save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15C TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.3 . M pH 7.0 0.01 na temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N HSQC' '1H-13C CT-HSQC' '1H-15C TOCSY' '1H-15C NOESY' HCCH-TOCSY '1H-13C NOESY' HNCA HNCACB CBCA(CO)NH HNHA stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Biotinoyl domain of HP0371' _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 . 2 SER CA C 55.5 0.15 1 2 . 2 SER CB C 63.9 0.3 1 3 . 2 SER HA H 5.438 0.027 1 4 . 2 SER HB2 H 3.589 0.027 2 5 . 2 SER HB3 H 3.482 0.027 2 6 . 3 VAL CA C 59.5 0.15 1 7 . 3 VAL CB C 30.4 0.3 1 8 . 3 VAL CG1 C 19.0 0.3 2 9 . 3 VAL CG2 C 19.1 0.3 2 10 . 3 VAL HA H 4.087 0.027 1 11 . 3 VAL HB H 1.707 0.027 1 12 . 3 VAL H H 8.503 0.006 1 13 . 3 VAL N N 123.96 0.0625 1 14 . 3 VAL HG1 H 0.774 0.027 2 15 . 3 VAL HG2 H 0.706 0.027 2 16 . 4 LEU CA C 50.5 0.15 1 17 . 4 LEU CB C 41.4 0.3 1 18 . 4 LEU CD1 C 21.3 0.3 2 19 . 4 LEU CD2 C 20.8 0.3 2 20 . 4 LEU CG C 24.5 0.3 1 21 . 4 LEU HA H 4.827 0.027 1 22 . 4 LEU HB2 H 1.895 0.027 2 23 . 4 LEU HB3 H 1.073 0.027 2 24 . 4 LEU HG H 0.583 0.027 1 25 . 4 LEU H H 8.763 0.006 1 26 . 4 LEU N N 127.65 0.0625 1 27 . 4 LEU HD1 H 0.648 0.027 2 28 . 4 LEU HD2 H 0.57 0.027 2 29 . 5 SER CA C 53.0 0.15 1 30 . 5 SER CB C 61.9 0.3 1 31 . 5 SER HA H 4.459 0.027 1 32 . 5 SER H H 8.636 0.006 1 33 . 5 SER N N 113.27 0.0625 1 34 . 5 SER HB2 H 3.504 0.027 1 35 . 6 PRO CA C 60.6 0.15 1 36 . 6 PRO CB C 30.0 0.3 1 37 . 6 PRO CD C 48.4 0.3 1 38 . 6 PRO CG C 25.0 0.3 1 39 . 6 PRO HA H 4.94 0.027 1 40 . 6 PRO HB2 H 2.322 0.027 2 41 . 6 PRO HB3 H 1.975 0.027 2 42 . 6 PRO HG2 H 2.123 0.027 2 43 . 6 PRO HD2 H 3.828 0.027 2 44 . 7 MET CA C 52.7 0.15 1 45 . 7 MET CB C 32.5 0.3 1 46 . 7 MET HA H 4.736 0.027 1 47 . 7 MET HB2 H 2.058 0.027 2 48 . 7 MET HB3 H 1.896 0.027 2 49 . 7 MET H H 7.625 0.006 1 50 . 7 MET N N 115.03 0.0625 1 51 . 8 VAL CA C 59.0 0.15 1 52 . 8 VAL CB C 30.2 0.3 1 53 . 8 VAL CG1 C 18.9 0.3 2 54 . 8 VAL CG2 C 18.7 0.3 2 55 . 8 VAL HA H 4.216 0.027 1 56 . 8 VAL HB H 1.904 0.027 1 57 . 8 VAL H H 7.913 0.006 1 58 . 8 VAL N N 119.93 0.0625 1 59 . 8 VAL HG1 H 1.122 0.027 2 60 . 8 VAL HG2 H 1.022 0.027 2 61 . 9 GLY CA C 43.9 0.15 1 62 . 9 GLY HA2 H 4.223 0.027 2 63 . 9 GLY HA3 H 4.039 0.027 2 64 . 9 GLY H H 7.838 0.006 1 65 . 9 GLY N N 113.27 0.0625 1 66 . 10 THR CA C 59.9 0.15 1 67 . 10 THR CB C 68.2 0.3 1 68 . 10 THR CG2 C 18.8 0.3 1 69 . 10 THR HA H 4.648 0.027 1 70 . 10 THR HB H 3.864 0.027 1 71 . 10 THR H H 8.807 0.006 1 72 . 10 THR N N 121.32 0.0625 1 73 . 10 THR HG2 H 0.495 0.027 1 74 . 11 PHE CA C 53.3 0.15 1 75 . 11 PHE CB C 39.5 0.3 1 76 . 11 PHE HA H 5.59 0.027 1 77 . 11 PHE HB2 H 3.033 0.027 2 78 . 11 PHE HB3 H 2.958 0.027 2 79 . 11 PHE H H 9.076 0.006 1 80 . 11 PHE N N 128.90 0.0625 1 81 . 11 PHE HD1 H 6.498 0.027 3 82 . 12 TYR CA C 54.4 0.15 1 83 . 12 TYR CB C 39.3 0.3 1 84 . 12 TYR HA H 4.916 0.027 1 85 . 12 TYR HB2 H 3.295 0.027 2 86 . 12 TYR HB3 H 2.469 0.027 2 87 . 12 TYR H H 9.176 0.006 1 88 . 12 TYR N N 123.46 0.0625 1 89 . 12 TYR HD1 H 7.09 0.027 3 90 . 12 TYR HE1 H 6.717 0.027 3 91 . 13 HIS CA C 53.1 0.15 1 92 . 13 HIS CB C 31.2 0.3 1 93 . 13 HIS HA H 4.405 0.027 1 94 . 13 HIS H H 9.087 0.006 1 95 . 13 HIS N N 117.59 0.0625 1 96 . 13 HIS HB2 H 3.139 0.027 2 97 . 14 ALA CA C 47.5 0.15 1 98 . 14 ALA CB C 20.6 0.3 1 99 . 14 ALA HA H 4.48 0.027 1 100 . 14 ALA H H 8.518 0.006 1 101 . 14 ALA N N 123.67 0.0625 1 102 . 14 ALA HB H 1.108 0.027 1 103 . 15 PRO CA C 61.8 0.15 1 104 . 15 PRO CB C 29.1 0.3 1 105 . 15 PRO CD C 47.2 0.3 1 106 . 15 PRO CG C 25.2 0.3 1 107 . 15 PRO HA H 4.277 0.027 1 108 . 15 PRO HB2 H 2.217 0.027 2 109 . 15 PRO HB3 H 1.771 0.027 2 110 . 15 PRO HG2 H 1.985 0.027 2 111 . 15 PRO HD2 H 1.756 0.027 2 112 . 15 PRO HD3 H 3.385 0.027 2 113 . 16 SER CA C 53.6 0.15 1 114 . 16 SER CB C 60.9 0.3 1 115 . 16 SER HA H 4.474 0.027 1 116 . 16 SER H H 6.749 0.006 1 117 . 16 SER N N 109.37 0.0625 1 118 . 16 SER HB2 H 3.643 0.027 2 119 . 18 GLY CA C 43.0 0.15 1 120 . 19 ALA CA C 48.6 0.15 1 121 . 19 ALA CB C 17.9 0.3 1 122 . 19 ALA HA H 4.376 0.027 1 123 . 19 ALA H H 7.543 0.006 1 124 . 19 ALA N N 122.89 0.0625 1 125 . 19 ALA HB H 1.296 0.027 1 126 . 20 GLU CA C 52.5 0.15 1 127 . 20 GLU CB C 26.8 0.3 1 128 . 20 GLU CG C 33.8 0.3 1 129 . 20 GLU HA H 4.27 0.027 1 130 . 20 GLU HB2 H 1.856 0.027 2 131 . 20 GLU HB3 H 1.779 0.027 2 132 . 20 GLU H H 8.187 0.006 1 133 . 20 GLU N N 119.95 0.0625 1 134 . 20 GLU HG2 H 2.296 0.027 1 135 . 21 PRO CA C 60.0 0.15 1 136 . 21 PRO CB C 30.2 0.3 1 137 . 21 PRO HA H 4.152 0.027 1 138 . 21 PRO HB2 H 2.186 0.027 2 139 . 21 PRO HB3 H 2.042 0.027 2 140 . 22 TYR CA C 60.6 0.15 1 141 . 22 TYR CB C 36.8 0.3 1 142 . 22 TYR HA H 4.021 0.027 1 143 . 22 TYR HB2 H 3.201 0.027 2 144 . 22 TYR HB3 H 2.654 0.027 2 145 . 22 TYR H H 8.415 0.006 1 146 . 22 TYR N N 118.82 0.0625 1 147 . 22 TYR HD1 H 7.127 0.027 3 148 . 23 VAL CA C 56.0 0.15 1 149 . 23 VAL CB C 34.8 0.3 1 150 . 23 VAL CG2 C 21.9 0.3 2 151 . 23 VAL HA H 4.823 0.027 1 152 . 23 VAL HB H 2.13 0.027 1 153 . 23 VAL H H 7.851 0.006 1 154 . 23 VAL N N 106.66 0.0625 1 155 . 23 VAL HG1 H 0.73 0.027 2 156 . 23 VAL HG2 H 1.008 0.027 2 157 . 24 LYS CA C 51.6 0.15 1 158 . 24 LYS CB C 33.9 0.3 1 159 . 24 LYS CE C 39.7 0.3 1 160 . 24 LYS CG C 21.4 0.3 1 161 . 24 LYS HA H 4.408 0.027 1 162 . 24 LYS HB2 H 1.751 0.027 2 163 . 24 LYS HB3 H 1.679 0.027 2 164 . 24 LYS HG2 H 1.492 0.027 2 165 . 24 LYS HG3 H 1.216 0.027 2 166 . 24 LYS HE2 H 2.988 0.027 1 167 . 24 LYS H H 8.151 0.006 1 168 . 24 LYS N N 116.74 0.0625 1 169 . 25 ALA CA C 51.8 0.15 1 170 . 25 ALA CB C 15.5 0.3 1 171 . 25 ALA HA H 3.536 0.027 1 172 . 25 ALA H H 8.517 0.006 1 173 . 25 ALA N N 121.82 0.0625 1 174 . 25 ALA HB H 1.287 0.027 1 175 . 26 GLY CA C 42.5 0.15 1 176 . 26 GLY HA2 H 4.461 0.027 2 177 . 26 GLY HA3 H 3.556 0.027 2 178 . 26 GLY H H 8.775 0.006 1 179 . 26 GLY N N 111.91 0.0625 1 180 . 27 ASP CA C 53.2 0.15 1 181 . 27 ASP CB C 39.4 0.3 1 182 . 27 ASP HA H 4.556 0.027 1 183 . 27 ASP HB2 H 2.726 0.027 2 184 . 27 ASP HB3 H 2.528 0.027 2 185 . 27 ASP H H 7.924 0.006 1 186 . 27 ASP N N 121.57 0.0625 1 187 . 28 THR CA C 60.3 0.15 1 188 . 28 THR CB C 67.2 0.3 1 189 . 28 THR HA H 4.688 0.027 1 190 . 28 THR HB H 4.035 0.027 1 191 . 28 THR H H 8.6 0.006 1 192 . 28 THR N N 116.69 0.0625 1 193 . 28 THR HG2 H 1.129 0.027 1 194 . 29 LEU CA C 50.4 0.15 1 195 . 29 LEU CB C 41.3 0.3 1 196 . 29 LEU CD2 C 22.8 0.3 2 197 . 29 LEU HA H 4.829 0.027 1 198 . 29 LEU HB2 H 1.634 0.027 2 199 . 29 LEU HB3 H 0.885 0.027 2 200 . 29 LEU H H 9.561 0.006 1 201 . 29 LEU N N 126.42 0.0625 1 202 . 29 LEU HD1 H 0.822 0.027 2 203 . 29 LEU HD2 H 0.751 0.027 2 204 . 30 LYS CA C 51.8 0.15 1 205 . 30 LYS CB C 32.2 0.3 1 206 . 30 LYS CE C 39.5 0.3 1 207 . 30 LYS HA H 4.359 0.027 1 208 . 30 LYS HB2 H 1.822 0.027 2 209 . 30 LYS HB3 H 1.622 0.027 2 210 . 30 LYS H H 8.251 0.006 1 211 . 30 LYS N N 120.80 0.0625 1 212 . 30 LYS HE2 H 2.942 0.027 1 213 . 30 LYS HG2 H 1.432 0.027 1 214 . 31 LYS CA C 56.6 0.15 1 215 . 31 LYS CB C 30.4 0.3 1 216 . 31 LYS HA H 3.263 0.027 1 217 . 31 LYS H H 8.256 0.006 1 218 . 31 LYS N N 118.81 0.0625 1 219 . 31 LYS HB2 H 1.655 0.027 1 220 . 31 LYS HD2 H 1.402 0.027 1 221 . 31 LYS HG2 H 1.185 0.027 1 222 . 32 GLY CA C 42.7 0.15 1 223 . 32 GLY HA2 H 4.133 0.027 2 224 . 32 GLY HA3 H 3.686 0.027 2 225 . 32 GLY H H 8.405 0.006 1 226 . 32 GLY N N 115.90 0.0625 1 227 . 33 GLN CA C 54.7 0.15 1 228 . 33 GLN CB C 27.0 0.3 1 229 . 33 GLN HA H 4.042 0.027 1 230 . 33 GLN HB2 H 2.19 0.027 1 231 . 33 GLN HG2 H 1.792 0.027 1 232 . 33 GLN H H 7.684 0.006 1 233 . 33 GLN N N 121.62 0.0625 1 234 . 33 GLN HG3 H 2.411 0.027 1 235 . 34 ILE CA C 57.9 0.15 1 236 . 34 ILE CB C 35.2 0.3 1 237 . 34 ILE CD1 C 10.0 0.3 1 238 . 34 ILE CG2 C 15.7 0.3 1 239 . 34 ILE HA H 4.244 0.027 1 240 . 34 ILE HB H 1.465 0.027 1 241 . 34 ILE H H 8.047 0.006 1 242 . 34 ILE N N 123.94 0.0625 1 243 . 34 ILE HD1 H 0.657 0.027 1 244 . 34 ILE HG12 H 0.159 0.027 1 245 . 34 ILE HG2 H 0.139 0.027 1 246 . 35 VAL CA C 57.5 0.15 1 247 . 35 VAL CB C 29.8 0.3 1 248 . 35 VAL CG1 C 20.5 0.3 2 249 . 35 VAL CG2 C 15.9 0.3 2 250 . 35 VAL HA H 4.466 0.027 1 251 . 35 VAL HB H 2.174 0.027 1 252 . 35 VAL H H 8.544 0.006 1 253 . 35 VAL N N 114.24 0.0625 1 254 . 35 VAL HG1 H 0.65 0.027 2 255 . 35 VAL HG2 H 0.492 0.027 2 256 . 36 GLY CA C 42.2 0.15 1 257 . 36 GLY HA2 H 4.237 0.027 2 258 . 36 GLY HA3 H 3.843 0.027 2 259 . 36 GLY H H 6.945 0.006 1 260 . 36 GLY N N 106.01 0.0625 1 261 . 37 ILE CA C 56.4 0.15 1 262 . 37 ILE CB C 41.5 0.3 1 263 . 37 ILE CD1 C 11.6 0.3 1 264 . 37 ILE CG1 C 26.1 0.3 1 265 . 37 ILE CG2 C 16.4 0.3 1 266 . 37 ILE HA H 5.119 0.027 1 267 . 37 ILE HB H 1.709 0.027 1 268 . 37 ILE H H 8.372 0.006 1 269 . 37 ILE N N 119.07 0.0625 1 270 . 37 ILE HD1 H 0.954 0.027 1 271 . 37 ILE HG12 H 0.937 0.027 1 272 . 37 ILE HG2 H 0.904 0.027 1 273 . 38 VAL CA C 59.0 0.15 1 274 . 38 VAL CB C 31.7 0.3 1 275 . 38 VAL CG1 C 20.1 0.3 2 276 . 38 VAL CG2 C 19.1 0.3 2 277 . 38 VAL HA H 5.078 0.027 1 278 . 38 VAL HB H 1.889 0.027 1 279 . 38 VAL H H 8.993 0.006 1 280 . 38 VAL N N 123.24 0.0625 1 281 . 38 VAL HG1 H 0.991 0.027 2 282 . 38 VAL HG2 H 0.61 0.027 2 283 . 39 GLU CA C 52.5 0.15 1 284 . 39 GLU CB C 30.1 0.3 1 285 . 39 GLU HA H 5.3 0.027 1 286 . 39 GLU HB2 H 2.111 0.027 2 287 . 39 GLU HB3 H 1.838 0.027 2 288 . 39 GLU H H 9.777 0.006 1 289 . 39 GLU N N 132.77 0.0625 1 290 . 39 GLU HG2 H 2.343 0.027 1 291 . 40 ALA CA C 50.1 0.15 1 292 . 40 ALA CB C 19.9 0.3 1 293 . 40 ALA HA H 4.663 0.027 1 294 . 40 ALA H H 8.715 0.006 1 295 . 40 ALA N N 130.01 0.0625 1 296 . 40 ALA HB H 1.473 0.027 1 297 . 41 MET CA C 54.0 0.15 1 298 . 41 MET CB C 27.3 0.3 1 299 . 41 MET HA H 4.058 0.027 1 300 . 41 MET HG3 H 2.589 0.027 1 301 . 42 LYS CA C 55.4 0.15 1 302 . 42 LYS CB C 27.3 0.3 1 303 . 42 LYS CG C 22.9 0.3 1 304 . 42 LYS HA H 3.733 0.027 1 305 . 42 LYS HB2 H 2.192 0.027 2 306 . 42 LYS HB3 H 1.97 0.027 2 307 . 42 LYS H H 8.869 0.006 1 308 . 42 LYS N N 108.64 0.0625 1 309 . 42 LYS HD2 H 1.604 0.027 1 310 . 42 LYS HE2 H 2.937 0.027 1 311 . 42 LYS HG2 H 1.335 0.027 1 312 . 43 ILE CA C 57.6 0.15 1 313 . 43 ILE CB C 36.5 0.3 1 314 . 43 ILE CD1 C 9.6 0.3 1 315 . 43 ILE CG1 C 24.6 0.3 1 316 . 43 ILE CG2 C 15.1 0.3 1 317 . 43 ILE HA H 4.19 0.027 1 318 . 43 ILE HB H 2.046 0.027 1 319 . 43 ILE HG12 H 1.515 0.027 2 320 . 43 ILE HG13 H 1.196 0.027 2 321 . 43 ILE H H 7.962 0.006 1 322 . 43 ILE N N 122.50 0.0625 1 323 . 43 ILE HD1 H 0.831 0.027 1 324 . 43 ILE HG2 H 0.813 0.027 1 325 . 44 MET CA C 51.9 0.15 1 326 . 44 MET CB C 29.4 0.3 1 327 . 44 MET CG C 30.1 0.3 1 328 . 44 MET HA H 4.385 0.027 1 329 . 44 MET HB2 H 2.188 0.027 2 330 . 44 MET HB3 H 1.732 0.027 2 331 . 44 MET HG2 H 2.679 0.027 2 332 . 44 MET HG3 H 2.464 0.027 2 333 . 44 MET H H 8.588 0.006 1 334 . 44 MET N N 124.62 0.0625 1 335 . 45 ASN CA C 50.9 0.15 1 336 . 45 ASN CB C 37.6 0.3 1 337 . 45 ASN HA H 4.783 0.027 1 338 . 45 ASN HB2 H 3.223 0.027 2 339 . 45 ASN HB3 H 2.427 0.027 2 340 . 45 ASN H H 8.099 0.006 1 341 . 45 ASN N N 123.05 0.0625 1 342 . 46 GLU CA C 54.7 0.15 1 343 . 46 GLU CB C 27.6 0.3 1 344 . 46 GLU HA H 4.244 0.027 1 345 . 46 GLU HB2 H 2.018 0.027 1 346 . 46 GLU H H 8.985 0.006 1 347 . 46 GLU N N 125.10 0.0625 1 348 . 47 ILE CA C 56.2 0.15 1 349 . 47 ILE CB C 34.3 0.3 1 350 . 47 ILE CD1 C 8.0 0.3 1 351 . 47 ILE CG2 C 14.9 0.3 1 352 . 47 ILE HA H 4.176 0.027 1 353 . 47 ILE HB H 1.691 0.027 1 354 . 47 ILE HG12 H 1.499 0.027 2 355 . 47 ILE HG13 H 1.133 0.027 2 356 . 47 ILE H H 8.456 0.006 1 357 . 47 ILE N N 125.02 0.0625 1 358 . 47 ILE HD1 H 0.57 0.027 1 359 . 47 ILE HG2 H 0.589 0.027 1 360 . 48 GLU CA C 51.3 0.15 1 361 . 48 GLU CB C 30.5 0.3 1 362 . 48 GLU CG C 33.1 0.3 1 363 . 48 GLU HA H 5.036 0.027 1 364 . 48 GLU HB2 H 1.621 0.027 2 365 . 48 GLU HB3 H 1.547 0.027 2 366 . 48 GLU HG2 H 2.028 0.027 2 367 . 48 GLU HG3 H 1.821 0.027 2 368 . 48 GLU H H 8.432 0.006 1 369 . 48 GLU N N 126.38 0.0625 1 370 . 49 VAL CA C 58.0 0.15 1 371 . 49 VAL CB C 30.8 0.3 1 372 . 49 VAL CG1 C 19.4 0.3 1 373 . 49 VAL CG2 C 19.4 0.3 1 374 . 49 VAL HA H 4.348 0.027 1 375 . 49 VAL HB H 1.699 0.027 1 376 . 49 VAL H H 7.847 0.006 1 377 . 49 VAL N N 115.21 0.0625 1 378 . 49 VAL HG1 H 0.729 0.027 2 379 . 49 VAL HG2 H 0.722 0.027 2 380 . 50 GLU CA C 54.7 0.15 1 381 . 50 GLU CB C 28.7 0.3 1 382 . 50 GLU CG C 34.7 0.3 1 383 . 50 GLU HA H 4.215 0.027 1 384 . 50 GLU H H 8.469 0.006 1 385 . 50 GLU N N 122.94 0.0625 1 386 . 50 GLU HB2 H 1.808 0.027 1 387 . 50 GLU HG2 H 2.202 0.027 1 388 . 51 TYR CA C 51.0 0.15 1 389 . 51 TYR CB C 34.4 0.3 1 390 . 51 TYR HA H 4.783 0.027 1 391 . 51 TYR HB2 H 3.197 0.027 2 392 . 51 TYR HB3 H 3.021 0.027 2 393 . 51 TYR H H 6.819 0.006 1 394 . 51 TYR N N 114.35 0.0625 1 395 . 51 TYR HD1 H 6.562 0.027 3 396 . 51 TYR HE1 H 6.589 0.027 3 397 . 52 PRO CA C 60.2 0.15 1 398 . 52 PRO CB C 29.8 0.3 1 399 . 52 PRO CD C 48.3 0.3 1 400 . 52 PRO CG C 25.3 0.3 1 401 . 52 PRO HA H 4.658 0.027 1 402 . 52 PRO HB2 H 2.415 0.027 2 403 . 52 PRO HB3 H 2.013 0.027 2 404 . 52 PRO HD2 H 3.925 0.027 2 405 . 52 PRO HD3 H 3.701 0.027 2 406 . 52 PRO HG2 H 2.267 0.027 2 407 . 52 PRO HG3 H 2.091 0.027 2 408 . 53 CYS CA C 54.0 0.15 1 409 . 53 CYS CB C 28.8 0.3 1 410 . 53 CYS HA H 5.189 0.027 1 411 . 53 CYS HB2 H 3.399 0.027 2 412 . 53 CYS HB3 H 2.413 0.027 2 413 . 53 CYS H H 8.152 0.006 1 414 . 53 CYS N N 115.96 0.0625 1 415 . 54 LYS CA C 51.5 0.15 1 416 . 54 LYS CB C 33.3 0.3 1 417 . 54 LYS CE C 39.4 0.3 1 418 . 54 LYS CG C 22.6 0.3 1 419 . 54 LYS HA H 5.381 0.027 1 420 . 54 LYS H H 8.974 0.006 1 421 . 54 LYS N N 118.88 0.0625 1 422 . 54 LYS HB3 H 1.608 0.027 1 423 . 54 LYS HD2 H 1.65 0.027 1 424 . 54 LYS HE2 H 2.838 0.027 1 425 . 54 LYS HG2 H 1.238 0.027 1 426 . 55 VAL CA C 61.8 0.15 1 427 . 55 VAL CB C 29.7 0.3 1 428 . 55 VAL CG1 C 20.1 0.3 2 429 . 55 VAL CG2 C 18.9 0.3 2 430 . 55 VAL HA H 3.738 0.027 1 431 . 55 VAL HB H 2.258 0.027 1 432 . 55 VAL H H 8.984 0.006 1 433 . 55 VAL N N 123.84 0.0625 1 434 . 55 VAL HG1 H 0.881 0.027 2 435 . 55 VAL HG2 H 0.579 0.027 2 436 . 56 VAL CA C 62.1 0.15 1 437 . 56 VAL CB C 30.3 0.3 1 438 . 56 VAL CG1 C 18.8 0.3 1 439 . 56 VAL CG2 C 19.0 0.3 1 440 . 56 VAL HA H 3.99 0.027 1 441 . 56 VAL HB H 1.641 0.027 1 442 . 56 VAL H H 9.286 0.006 1 443 . 56 VAL N N 132.22 0.0625 1 444 . 56 VAL HG1 H 0.872 0.027 2 445 . 56 VAL HG2 H 0.881 0.027 2 446 . 57 SER CA C 55.2 0.15 1 447 . 57 SER CB C 61.7 0.3 1 448 . 57 SER HA H 4.459 0.027 1 449 . 57 SER H H 7.597 0.006 1 450 . 57 SER N N 108.96 0.0625 1 451 . 57 SER HB2 H 3.718 0.027 1 452 . 58 VAL CA C 60.9 0.15 1 453 . 58 VAL CB C 29.2 0.3 1 454 . 58 VAL CG1 C 18.5 0.3 2 455 . 58 VAL CG2 C 17.8 0.3 2 456 . 58 VAL HA H 4.151 0.027 1 457 . 58 VAL HB H 2.043 0.027 1 458 . 58 VAL H H 8.966 0.006 1 459 . 58 VAL N N 125.78 0.0625 1 460 . 58 VAL HG1 H 0.953 0.027 2 461 . 58 VAL HG2 H 0.784 0.027 2 462 . 59 GLU CA C 55.2 0.15 1 463 . 59 GLU CB C 29.1 0.3 1 464 . 59 GLU HA H 4.14 0.027 1 465 . 59 GLU H H 8.259 0.006 1 466 . 59 GLU N N 125.50 0.0625 1 467 . 59 GLU HB2 H 1.813 0.027 1 468 . 59 GLU HG2 H 2.063 0.027 1 469 . 60 VAL CA C 58.8 0.15 1 470 . 60 VAL CB C 32.1 0.3 1 471 . 60 VAL CG1 C 19.8 0.3 2 472 . 60 VAL CG2 C 20.0 0.3 2 473 . 60 VAL HA H 4.22 0.027 1 474 . 60 VAL HB H 1.666 0.027 1 475 . 60 VAL H H 6.995 0.006 1 476 . 60 VAL N N 118.24 0.0625 1 477 . 60 VAL HG1 H 1.109 0.027 2 478 . 60 VAL HG2 H 0.828 0.027 2 479 . 61 GLY CA C 42.6 0.15 1 480 . 61 GLY HA2 H 4.156 0.027 2 481 . 61 GLY HA3 H 3.702 0.027 2 482 . 61 GLY H H 8.514 0.006 1 483 . 61 GLY N N 113.30 0.0625 1 484 . 62 ASP CA C 53.3 0.15 1 485 . 62 ASP CB C 40.1 0.3 1 486 . 62 ASP HA H 3.653 0.027 1 487 . 62 ASP HB2 H 2.11 0.027 2 488 . 62 ASP HB3 H 1.556 0.027 2 489 . 62 ASP H H 7.653 0.006 1 490 . 62 ASP N N 117.04 0.0625 1 491 . 63 ALA CA C 50.3 0.15 1 492 . 63 ALA CB C 14.4 0.3 1 493 . 63 ALA HA H 2.96 0.027 1 494 . 63 ALA H H 8.924 0.006 1 495 . 63 ALA N N 127.21 0.0625 1 496 . 63 ALA HB H 1.382 0.027 1 497 . 64 GLN CA C 50.3 0.15 1 498 . 64 GLN CB C 27.7 0.3 1 499 . 64 GLN CG C 31.2 0.3 1 500 . 64 GLN HA H 4.739 0.027 1 501 . 64 GLN HB2 H 2.155 0.027 2 502 . 64 GLN HB3 H 1.96 0.027 2 503 . 64 GLN H H 7.166 0.006 1 504 . 64 GLN N N 117.39 0.0625 1 505 . 64 GLN HG2 H 2.146 0.027 1 506 . 65 PRO CA C 60.3 0.15 1 507 . 65 PRO CB C 30.0 0.3 1 508 . 66 VAL CA C 57.0 0.15 1 509 . 66 VAL CB C 34.5 0.3 1 510 . 66 VAL CG1 C 22.5 0.3 2 511 . 66 VAL CG2 C 16.0 0.3 2 512 . 66 VAL HA H 4.687 0.027 1 513 . 66 VAL HB H 2.058 0.027 1 514 . 66 VAL H H 8.982 0.006 1 515 . 66 VAL N N 113.45 0.0625 1 516 . 66 VAL HG1 H 0.924 0.027 2 517 . 66 VAL HG2 H 0.729 0.027 2 518 . 67 GLU CA C 51.7 0.15 1 519 . 67 GLU CB C 30.0 0.3 1 520 . 67 GLU CG C 33.9 0.3 1 521 . 67 GLU HA H 4.637 0.027 1 522 . 67 GLU HB2 H 2.155 0.027 2 523 . 67 GLU HB3 H 1.702 0.027 2 524 . 67 GLU H H 8.445 0.006 1 525 . 67 GLU N N 120.53 0.0625 1 526 . 67 GLU HG2 H 2.152 0.027 1 527 . 68 TYR CA C 57.6 0.15 1 528 . 68 TYR CB C 35.2 0.3 1 529 . 68 TYR HA H 3.782 0.027 1 530 . 68 TYR HB2 H 2.865 0.027 2 531 . 68 TYR HB3 H 2.754 0.027 2 532 . 68 TYR H H 7.979 0.006 1 533 . 68 TYR N N 120.26 0.0625 1 534 . 69 GLY CA C 42.8 0.15 1 535 . 69 GLY HA2 H 3.986 0.027 2 536 . 69 GLY HA3 H 3.143 0.027 2 537 . 69 GLY H H 8.715 0.006 1 538 . 69 GLY N N 117.47 0.0625 1 539 . 70 THR CA C 62.5 0.15 1 540 . 70 THR CB C 67.9 0.3 1 541 . 70 THR HA H 3.801 0.027 1 542 . 70 THR HB H 3.664 0.027 1 543 . 70 THR H H 7.592 0.006 1 544 . 70 THR N N 118.29 0.0625 1 545 . 70 THR HG2 H 1.121 0.027 1 546 . 71 LYS CA C 54.9 0.15 1 547 . 71 LYS CB C 29.2 0.3 1 548 . 71 LYS CG C 22.8 0.3 1 549 . 71 LYS HA H 3.94 0.027 1 550 . 71 LYS HB2 H 1.684 0.027 2 551 . 71 LYS HB3 H 1.515 0.027 2 552 . 71 LYS H H 8.663 0.006 1 553 . 71 LYS N N 127.22 0.0625 1 554 . 71 LYS HD2 H 1.095 0.027 1 555 . 71 LYS HE2 H 2.91 0.027 1 556 . 71 LYS HG2 H 1.429 0.027 1 557 . 72 LEU CA C 54.2 0.15 1 558 . 72 LEU CB C 40.6 0.3 1 559 . 72 LEU CD1 C 19.7 0.3 2 560 . 72 LEU CG C 22.9 0.3 1 561 . 72 LEU HA H 3.924 0.027 1 562 . 72 LEU HG H 0.331 0.027 1 563 . 72 LEU H H 8.757 0.006 1 564 . 72 LEU N N 124.17 0.0625 1 565 . 72 LEU HB2 H 1.437 0.027 1 566 . 72 LEU HD1 H -0.138 0.027 1 567 . 73 ILE CA C 56.6 0.15 1 568 . 73 ILE CB C 41.0 0.3 1 569 . 73 ILE CD1 C 11.1 0.3 1 570 . 73 ILE CG1 C 25.2 0.3 1 571 . 73 ILE CG2 C 16.7 0.3 1 572 . 73 ILE HA H 4.648 0.027 1 573 . 73 ILE HB H 1.617 0.027 1 574 . 73 ILE HG12 H 1.304 0.027 2 575 . 73 ILE HG13 H 1.074 0.027 2 576 . 73 ILE H H 6.88 0.006 1 577 . 73 ILE N N 111.93 0.0625 1 578 . 73 ILE HD1 H 0.742 0.027 1 579 . 73 ILE HG2 H 0.863 0.027 1 580 . 74 LYS CA C 53.5 0.15 1 581 . 74 LYS CB C 31.1 0.3 1 582 . 74 LYS CE C 39.3 0.3 1 583 . 74 LYS HA H 4.972 0.027 1 584 . 74 LYS HB2 H 1.828 0.027 2 585 . 74 LYS HB3 H 1.674 0.027 2 586 . 74 LYS H H 9.157 0.006 1 587 . 74 LYS N N 127.50 0.0625 1 588 . 74 LYS HD2 H 1.482 0.027 1 589 . 74 LYS HE2 H 2.856 0.027 1 590 . 75 VAL CA C 56.4 0.15 1 591 . 75 VAL CB C 34.1 0.3 1 592 . 75 VAL CG1 C 20.3 0.3 2 593 . 75 VAL CG2 C 15.2 0.3 2 594 . 75 VAL HA H 5.402 0.027 1 595 . 75 VAL HB H 1.874 0.027 1 596 . 75 VAL H H 8.542 0.006 1 597 . 75 VAL N N 117.69 0.0625 1 598 . 75 VAL HG1 H 0.751 0.027 2 599 . 75 VAL HG2 H 0.649 0.027 2 600 . 76 GLU CA C 51.8 0.15 1 601 . 76 GLU CB C 30.2 0.3 1 602 . 76 GLU CG C 33.5 0.3 1 603 . 76 GLU HA H 4.748 0.027 1 604 . 76 GLU H H 8.595 0.006 1 605 . 76 GLU N N 121.34 0.0625 1 606 . 76 GLU HB2 H 1.822 0.027 1 607 . 76 GLU HG2 H 2.141 0.027 1 608 . 77 LYS CA C 56.1 0.15 1 609 . 77 LYS CB C 30.5 0.3 1 610 . 77 LYS HA H 4.042 0.027 1 611 . 77 LYS H H 8.813 0.006 1 612 . 77 LYS N N 126.34 0.0625 1 613 . 78 LEU CA C 53.9 0.15 1 614 . 78 LEU CB C 41.2 0.3 1 615 . 78 LEU CD1 C 23.9 0.3 2 616 . 78 LEU CG C 25.3 0.3 1 617 . 78 LEU HA H 4.205 0.027 1 618 . 78 LEU HB2 H 1.566 0.027 2 619 . 78 LEU HB3 H 1.324 0.027 2 620 . 78 LEU HG H 1.481 0.027 1 621 . 78 LEU H H 7.467 0.006 1 622 . 78 LEU N N 129.73 0.0625 1 623 . 78 LEU HD1 H 0.835 0.027 1 stop_ save_