data_34292 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The CTD of HpDprA, a DNA binding Winged Helix domain which do not bind dsDNA ; _BMRB_accession_number 34292 _BMRB_flat_file_name bmr34292.str _Entry_type original _Submission_date 2018-06-22 _Accession_date 2018-06-22 _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 Lisboa J. . . 2 Celma L. . . 3 Sanchez D. . . 4 Marquis M. . . 5 Andreani J. . . 6 Guerois R. . . 7 Ochsenbein F. . . 8 Durand D. . . 9 Marsin S. . . 10 Cuniasse P. . . 11 Radicella J. P. . 12 Quevillon-Cheruel S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 365 "13C chemical shifts" 221 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-06 update BMRB 'update entry citation' 2019-04-22 original author 'original release' stop_ _Original_release_date 2019-04-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The C-terminal domain of HpDprA is a DNA-binding winged helix domain that does not bind double-stranded DNA. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30771270 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lisboa J. . . 2 Celma L. . . 3 Sanchez D. . . 4 Marquis M. . . 5 Andreani J. . . 6 Guerois R. . . 7 Ochsenbein F. . . 8 Durand D. . . 9 Marsin S. . . 10 Cuniasse P. . . 11 Radicella J. P. . 12 Quevillon-Cheruel S. . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_volume 286 _Journal_issue 10 _Journal_ISSN 1742-464X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1941 _Page_last 1958 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DNA protecting protein DprA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _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 entity_1 _Molecular_mass 7139.292 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; MLKDYHLKEMPEMEDEFLEY CAKNPSYEEAYLKFGDKLLE YELLGKIKRINHIVVLAHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 LYS 4 ASP 5 TYR 6 HIS 7 LEU 8 LYS 9 GLU 10 MET 11 PRO 12 GLU 13 MET 14 GLU 15 ASP 16 GLU 17 PHE 18 LEU 19 GLU 20 TYR 21 CYS 22 ALA 23 LYS 24 ASN 25 PRO 26 SER 27 TYR 28 GLU 29 GLU 30 ALA 31 TYR 32 LEU 33 LYS 34 PHE 35 GLY 36 ASP 37 LYS 38 LEU 39 LEU 40 GLU 41 TYR 42 GLU 43 LEU 44 LEU 45 GLY 46 LYS 47 ILE 48 LYS 49 ARG 50 ILE 51 ASN 52 HIS 53 ILE 54 VAL 55 VAL 56 LEU 57 ALA 58 HIS 59 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_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 'Campylobacter pylori' 210 Bacteria . Helicobacter pylori BB415_01075 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' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '128 uM 15N,13C HpDprA CTD, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 128 uM '[U-15N; U-13C]' 'Phosphate Buffer (NH2PO4)' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '128 uM [U-13C; U-15N] C-terminal Domain of Helicobacter Pylori RecA-loader DNA Processing Protein A (DprA), 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 128 uM '[U-13C; U-15N]' 'Phosphate Buffer (NH2PO4)' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '34 uM [U-15N] C-terminal Domain of Helicobacter Pylori RecA-loader DNA Processing Protein A (DprA), 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 34 uM [U-15N] 'Phosphate Buffer (NH2PO4)' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_aliphatic_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 50 . mM pH 5.6 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 5.6 . pD pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.4 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' '2D 1H-15N HSQC' '3D 1H-15N TOCSY' '3D HNCA' '3D HBHA(CO)NH' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 MET HA H 4.102 0.000 1 2 1 1 MET HB2 H 2.158 0.000 1 3 1 1 MET HB3 H 2.158 0.000 1 4 1 1 MET HG2 H 2.582 0.000 1 5 1 1 MET HG3 H 2.582 0.000 1 6 1 1 MET CA C 55.046 0.000 1 7 1 1 MET CB C 33.165 0.000 1 8 1 1 MET CG C 31.061 0.000 1 9 2 2 LEU H H 8.679 0.000 1 10 2 2 LEU HA H 4.379 0.000 1 11 2 2 LEU HG H 1.617 0.000 1 12 2 2 LEU HD1 H 0.922 0.000 2 13 2 2 LEU HD2 H 0.877 0.000 2 14 2 2 LEU CA C 55.578 0.000 1 15 2 2 LEU CB C 42.357 0.000 1 16 2 2 LEU CG C 27.172 0.000 1 17 2 2 LEU CD1 C 24.381 0.000 2 18 2 2 LEU CD2 C 24.042 0.000 2 19 2 2 LEU N N 125.563 0.000 1 20 3 3 LYS H H 8.228 0.000 1 21 3 3 LYS HA H 4.273 0.000 1 22 3 3 LYS HB2 H 1.821 0.000 2 23 3 3 LYS HB3 H 1.754 0.000 2 24 3 3 LYS HG2 H 1.448 0.000 1 25 3 3 LYS HG3 H 1.448 0.000 1 26 3 3 LYS HD2 H 1.675 0.000 1 27 3 3 LYS HD3 H 1.675 0.000 1 28 3 3 LYS HE2 H 2.988 0.000 1 29 3 3 LYS HE3 H 2.988 0.000 1 30 3 3 LYS CA C 56.533 0.000 1 31 3 3 LYS CB C 33.153 0.007 1 32 3 3 LYS CG C 25.037 0.000 1 33 3 3 LYS CD C 29.319 0.000 1 34 3 3 LYS CE C 42.046 0.000 1 35 3 3 LYS N N 121.809 0.000 1 36 4 4 ASP H H 8.181 0.000 1 37 4 4 ASP HA H 4.544 0.000 1 38 4 4 ASP HB2 H 2.561 0.000 1 39 4 4 ASP HB3 H 2.561 0.000 1 40 4 4 ASP CA C 54.025 0.000 1 41 4 4 ASP CB C 41.510 0.000 1 42 4 4 ASP N N 120.879 0.000 1 43 5 5 TYR H H 8.079 0.000 1 44 5 5 TYR HA H 4.445 0.000 1 45 5 5 TYR HB2 H 2.999 0.000 2 46 5 5 TYR HB3 H 2.900 0.000 2 47 5 5 TYR HD1 H 7.083 0.000 1 48 5 5 TYR HD2 H 7.083 0.000 1 49 5 5 TYR HE1 H 6.805 0.000 1 50 5 5 TYR HE2 H 6.805 0.000 1 51 5 5 TYR CA C 58.305 0.000 1 52 5 5 TYR CB C 38.669 0.017 1 53 5 5 TYR CD1 C 133.432 0.000 1 54 5 5 TYR CD2 C 133.432 0.000 1 55 5 5 TYR CE1 C 118.709 0.000 1 56 5 5 TYR CE2 C 118.709 0.000 1 57 5 5 TYR N N 121.459 0.000 1 58 6 6 HIS H H 8.374 0.000 1 59 6 6 HIS HA H 4.532 0.000 1 60 6 6 HIS HB2 H 3.198 0.000 2 61 6 6 HIS HB3 H 3.098 0.000 2 62 6 6 HIS CA C 56.011 0.000 1 63 6 6 HIS CB C 29.116 0.000 1 64 6 6 HIS N N 119.923 0.000 1 65 7 7 LEU H H 8.053 0.000 1 66 7 7 LEU HA H 4.257 0.000 1 67 7 7 LEU HB2 H 1.612 0.000 1 68 7 7 LEU HB3 H 1.612 0.000 1 69 7 7 LEU HG H 1.497 0.000 1 70 7 7 LEU HD1 H 0.931 0.000 2 71 7 7 LEU HD2 H 0.852 0.000 2 72 7 7 LEU CA C 55.475 0.000 1 73 7 7 LEU CB C 42.497 0.000 1 74 7 7 LEU CG C 27.737 0.000 1 75 7 7 LEU CD1 C 24.654 0.000 2 76 7 7 LEU CD2 C 23.838 0.000 2 77 7 7 LEU N N 122.430 0.000 1 78 8 8 LYS H H 8.387 0.000 1 79 8 8 LYS HA H 4.225 0.000 1 80 8 8 LYS HB2 H 1.753 0.000 2 81 8 8 LYS HB3 H 1.679 0.000 2 82 8 8 LYS HG2 H 1.351 0.000 2 83 8 8 LYS HG3 H 1.286 0.000 2 84 8 8 LYS HD2 H 1.913 0.000 1 85 8 8 LYS HD3 H 1.913 0.000 1 86 8 8 LYS HE2 H 2.949 0.000 1 87 8 8 LYS HE3 H 2.949 0.000 1 88 8 8 LYS CA C 56.434 0.000 1 89 8 8 LYS CB C 33.151 0.020 1 90 8 8 LYS CG C 24.864 0.002 1 91 8 8 LYS CD C 31.628 0.000 1 92 8 8 LYS CE C 42.068 0.000 1 93 8 8 LYS N N 122.577 0.000 1 94 9 9 GLU H H 8.327 0.000 1 95 9 9 GLU HA H 4.286 0.000 1 96 9 9 GLU HB2 H 2.049 0.012 2 97 9 9 GLU HB3 H 1.928 0.000 2 98 9 9 GLU HG2 H 2.279 0.000 1 99 9 9 GLU HG3 H 2.279 0.000 1 100 9 9 GLU CA C 56.291 0.000 1 101 9 9 GLU CB C 30.300 0.187 1 102 9 9 GLU CG C 36.282 0.000 1 103 9 9 GLU N N 121.581 0.000 1 104 10 10 MET H H 8.383 0.000 1 105 10 10 MET HA H 4.794 0.000 1 106 10 10 MET HB2 H 2.097 0.000 2 107 10 10 MET HB3 H 1.966 0.000 2 108 10 10 MET HG2 H 2.615 0.000 2 109 10 10 MET HG3 H 2.559 0.000 2 110 10 10 MET CA C 53.494 0.000 1 111 10 10 MET CB C 32.579 0.009 1 112 10 10 MET CG C 32.299 0.025 1 113 10 10 MET N N 122.555 0.000 1 114 11 11 PRO HA H 4.412 0.000 1 115 11 11 PRO HB2 H 2.293 0.000 2 116 11 11 PRO HB3 H 1.913 0.000 2 117 11 11 PRO HG2 H 1.990 0.000 2 118 11 11 PRO HG3 H 2.027 0.000 2 119 11 11 PRO HD2 H 3.703 0.000 2 120 11 11 PRO HD3 H 3.783 0.000 2 121 11 11 PRO CA C 63.824 0.000 1 122 11 11 PRO CB C 32.232 0.010 1 123 11 11 PRO CG C 27.660 0.000 1 124 11 11 PRO CD C 50.793 0.010 1 125 12 12 GLU H H 8.658 0.000 1 126 12 12 GLU HA H 4.257 0.000 1 127 12 12 GLU HB2 H 1.983 0.000 1 128 12 12 GLU HB3 H 1.983 0.000 1 129 12 12 GLU HG2 H 2.279 0.000 1 130 12 12 GLU HG3 H 2.279 0.000 1 131 12 12 GLU CA C 57.299 0.000 1 132 12 12 GLU CB C 30.036 0.000 1 133 12 12 GLU CG C 36.447 0.000 1 134 12 12 GLU N N 120.553 0.000 1 135 13 13 MET H H 8.302 0.000 1 136 13 13 MET HA H 4.447 0.000 1 137 13 13 MET HB2 H 2.090 0.000 1 138 13 13 MET HB3 H 2.090 0.000 1 139 13 13 MET HG2 H 2.567 0.000 2 140 13 13 MET HG3 H 2.483 0.000 2 141 13 13 MET CA C 56.072 0.000 1 142 13 13 MET CB C 33.129 0.000 1 143 13 13 MET CG C 32.369 0.022 1 144 13 13 MET N N 120.266 0.000 1 145 14 14 GLU H H 8.360 0.000 1 146 14 14 GLU HA H 4.202 0.000 1 147 14 14 GLU HB2 H 2.102 0.000 2 148 14 14 GLU HB3 H 2.045 0.000 2 149 14 14 GLU HG2 H 2.290 0.000 1 150 14 14 GLU HG3 H 2.290 0.000 1 151 14 14 GLU CA C 57.601 0.000 1 152 14 14 GLU CB C 30.157 0.009 1 153 14 14 GLU CG C 36.373 0.000 1 154 14 14 GLU N N 121.757 0.000 1 155 15 15 ASP H H 8.255 0.000 1 156 15 15 ASP HA H 4.557 0.000 1 157 15 15 ASP HB2 H 2.880 0.000 2 158 15 15 ASP HB3 H 2.650 0.000 2 159 15 15 ASP CA C 55.395 0.000 1 160 15 15 ASP CB C 41.360 0.013 1 161 15 15 ASP N N 121.168 0.000 1 162 16 16 GLU H H 8.746 0.000 1 163 16 16 GLU HA H 4.106 0.000 1 164 16 16 GLU HB2 H 2.163 0.000 1 165 16 16 GLU HB3 H 2.163 0.000 1 166 16 16 GLU HG2 H 2.445 0.000 2 167 16 16 GLU HG3 H 2.348 0.000 2 168 16 16 GLU CA C 59.550 0.000 1 169 16 16 GLU CB C 29.697 0.000 1 170 16 16 GLU CG C 36.456 0.025 1 171 16 16 GLU N N 123.151 0.000 1 172 17 17 PHE H H 8.183 0.000 1 173 17 17 PHE HA H 3.899 0.000 1 174 17 17 PHE HB2 H 2.754 0.000 2 175 17 17 PHE HB3 H 2.639 0.000 2 176 17 17 PHE HD1 H 5.669 0.000 1 177 17 17 PHE HD2 H 5.669 0.000 1 178 17 17 PHE HE1 H 6.418 0.000 1 179 17 17 PHE HE2 H 6.418 0.000 1 180 17 17 PHE HZ H 6.699 0.000 1 181 17 17 PHE CA C 60.456 0.000 1 182 17 17 PHE CB C 38.825 0.007 1 183 17 17 PHE CD1 C 131.028 0.000 1 184 17 17 PHE CD2 C 131.028 0.000 1 185 17 17 PHE CE1 C 130.210 0.000 1 186 17 17 PHE CE2 C 130.210 0.000 1 187 17 17 PHE CZ C 128.147 0.000 1 188 17 17 PHE N N 121.088 0.000 1 189 18 18 LEU H H 8.121 0.000 1 190 18 18 LEU HA H 3.597 0.000 1 191 18 18 LEU HB2 H 1.863 0.000 2 192 18 18 LEU HB3 H 1.432 0.000 2 193 18 18 LEU HG H 1.866 0.000 1 194 18 18 LEU HD1 H 1.002 0.000 2 195 18 18 LEU HD2 H 0.768 0.000 2 196 18 18 LEU CA C 58.072 0.000 1 197 18 18 LEU CB C 40.915 0.000 1 198 18 18 LEU CG C 26.678 0.000 1 199 18 18 LEU CD1 C 26.081 0.000 2 200 18 18 LEU CD2 C 23.233 0.000 2 201 18 18 LEU N N 120.700 0.000 1 202 19 19 GLU H H 8.116 0.000 1 203 19 19 GLU HA H 3.914 0.000 1 204 19 19 GLU HB2 H 2.059 0.000 1 205 19 19 GLU HB3 H 2.059 0.000 1 206 19 19 GLU HG2 H 2.352 0.000 2 207 19 19 GLU HG3 H 2.285 0.000 2 208 19 19 GLU CA C 59.369 0.000 1 209 19 19 GLU CB C 29.409 0.000 1 210 19 19 GLU CG C 36.138 0.007 1 211 19 19 GLU N N 118.358 0.000 1 212 20 20 TYR H H 7.623 0.000 1 213 20 20 TYR HA H 4.172 0.000 1 214 20 20 TYR HB2 H 3.274 0.000 2 215 20 20 TYR HB3 H 3.186 0.000 2 216 20 20 TYR HD1 H 7.135 0.000 1 217 20 20 TYR HD2 H 7.135 0.000 1 218 20 20 TYR HE1 H 6.734 0.000 1 219 20 20 TYR HE2 H 6.734 0.000 1 220 20 20 TYR CA C 61.357 0.000 1 221 20 20 TYR CB C 38.225 0.011 1 222 20 20 TYR CD1 C 133.934 0.000 1 223 20 20 TYR CD2 C 133.934 0.000 1 224 20 20 TYR CE1 C 118.131 0.000 1 225 20 20 TYR CE2 C 118.131 0.000 1 226 20 20 TYR N N 120.734 0.000 1 227 21 21 CYS H H 7.937 0.000 1 228 21 21 CYS HA H 3.494 0.000 1 229 21 21 CYS HB2 H 2.528 0.000 2 230 21 21 CYS HB3 H 2.122 0.000 2 231 21 21 CYS CA C 63.638 0.000 1 232 21 21 CYS CB C 26.796 0.004 1 233 21 21 CYS N N 116.282 0.000 1 234 22 22 ALA H H 7.779 0.000 1 235 22 22 ALA HA H 4.043 0.000 1 236 22 22 ALA HB H 1.467 0.000 1 237 22 22 ALA CA C 53.857 0.000 1 238 22 22 ALA CB C 18.218 0.000 1 239 22 22 ALA N N 121.254 0.000 1 240 23 23 LYS H H 7.034 0.000 1 241 23 23 LYS HA H 4.221 0.000 1 242 23 23 LYS HB2 H 1.914 0.000 2 243 23 23 LYS HB3 H 1.664 0.000 2 244 23 23 LYS HG2 H 1.442 0.000 2 245 23 23 LYS HG3 H 1.394 0.000 2 246 23 23 LYS HD2 H 2.042 0.000 1 247 23 23 LYS HD3 H 2.042 0.000 1 248 23 23 LYS HE2 H 2.947 0.000 1 249 23 23 LYS HE3 H 2.947 0.000 1 250 23 23 LYS CA C 56.172 0.000 1 251 23 23 LYS CB C 31.648 0.014 1 252 23 23 LYS CG C 24.910 0.001 1 253 23 23 LYS CD C 30.300 0.000 1 254 23 23 LYS CE C 42.097 0.000 1 255 23 23 LYS N N 114.667 0.000 1 256 24 24 ASN H H 7.927 0.000 1 257 24 24 ASN HA H 5.158 0.000 1 258 24 24 ASN HB2 H 3.011 0.000 2 259 24 24 ASN HB3 H 2.619 0.000 2 260 24 24 ASN CA C 53.540 0.000 1 261 24 24 ASN CB C 37.538 0.004 1 262 24 24 ASN N N 115.442 0.000 1 263 25 25 PRO HA H 4.511 0.000 1 264 25 25 PRO HB2 H 2.148 0.000 2 265 25 25 PRO HB3 H 1.752 0.000 2 266 25 25 PRO HG2 H 1.491 0.000 2 267 25 25 PRO HG3 H 1.707 0.000 2 268 25 25 PRO HD2 H 3.232 0.000 2 269 25 25 PRO HD3 H 3.776 0.000 2 270 25 25 PRO CA C 62.929 0.000 1 271 25 25 PRO CB C 33.139 0.079 1 272 25 25 PRO CG C 27.840 0.031 1 273 25 25 PRO CD C 51.058 0.010 1 274 26 26 SER H H 8.470 0.000 1 275 26 26 SER HA H 4.789 0.000 1 276 26 26 SER HB2 H 4.105 0.000 2 277 26 26 SER HB3 H 4.430 0.000 2 278 26 26 SER CA C 58.012 0.000 1 279 26 26 SER CB C 64.201 0.013 1 280 26 26 SER N N 112.673 0.000 1 281 27 27 TYR H H 9.120 0.000 1 282 27 27 TYR HA H 3.871 0.000 1 283 27 27 TYR HB2 H 2.902 0.000 2 284 27 27 TYR HB3 H 2.637 0.000 2 285 27 27 TYR HD1 H 6.806 0.000 1 286 27 27 TYR HD2 H 6.806 0.000 1 287 27 27 TYR HE1 H 6.623 0.000 1 288 27 27 TYR HE2 H 6.623 0.000 1 289 27 27 TYR CA C 62.617 0.000 1 290 27 27 TYR CB C 38.678 0.010 1 291 27 27 TYR CD1 C 132.851 0.000 1 292 27 27 TYR CD2 C 132.851 0.000 1 293 27 27 TYR CE1 C 118.281 0.000 1 294 27 27 TYR CE2 C 118.281 0.000 1 295 27 27 TYR N N 126.207 0.000 1 296 28 28 GLU H H 8.967 0.000 1 297 28 28 GLU HA H 3.982 0.000 1 298 28 28 GLU HB2 H 2.150 0.000 2 299 28 28 GLU HB3 H 2.059 0.000 2 300 28 28 GLU HG2 H 2.515 0.000 2 301 28 28 GLU HG3 H 2.427 0.000 2 302 28 28 GLU CA C 60.632 0.000 1 303 28 28 GLU CB C 29.273 0.030 1 304 28 28 GLU CG C 37.390 0.004 1 305 28 28 GLU N N 116.909 0.000 1 306 29 29 GLU H H 7.804 0.000 1 307 29 29 GLU HA H 4.060 0.000 1 308 29 29 GLU HB2 H 2.177 0.000 1 309 29 29 GLU HB3 H 2.177 0.000 1 310 29 29 GLU HG2 H 2.074 0.000 2 311 29 29 GLU HG3 H 2.330 0.000 2 312 29 29 GLU CA C 59.279 0.000 1 313 29 29 GLU CB C 29.702 0.000 1 314 29 29 GLU CG C 35.802 0.022 1 315 29 29 GLU N N 119.327 0.000 1 316 30 30 ALA H H 8.438 0.000 1 317 30 30 ALA HA H 4.470 0.000 1 318 30 30 ALA HB H 1.614 0.000 1 319 30 30 ALA CA C 55.190 0.000 1 320 30 30 ALA CB C 19.101 0.000 1 321 30 30 ALA N N 122.658 0.000 1 322 31 31 TYR H H 9.085 0.000 1 323 31 31 TYR HA H 3.989 0.000 1 324 31 31 TYR HB2 H 2.816 0.000 2 325 31 31 TYR HB3 H 2.628 0.000 2 326 31 31 TYR HD1 H 7.057 0.000 1 327 31 31 TYR HD2 H 7.057 0.000 1 328 31 31 TYR HE1 H 6.813 0.000 1 329 31 31 TYR HE2 H 6.813 0.000 1 330 31 31 TYR CA C 61.147 0.000 1 331 31 31 TYR CB C 37.882 0.001 1 332 31 31 TYR CD1 C 133.230 0.000 1 333 31 31 TYR CD2 C 133.230 0.000 1 334 31 31 TYR CE1 C 118.215 0.000 1 335 31 31 TYR CE2 C 118.215 0.000 1 336 31 31 TYR N N 120.463 0.000 1 337 32 32 LEU H H 7.848 0.000 1 338 32 32 LEU HA H 3.908 0.000 1 339 32 32 LEU HB2 H 1.857 0.000 2 340 32 32 LEU HB3 H 1.619 0.000 2 341 32 32 LEU HG H 1.802 0.000 1 342 32 32 LEU HD1 H 0.951 0.000 1 343 32 32 LEU HD2 H 0.951 0.000 1 344 32 32 LEU CA C 57.795 0.000 1 345 32 32 LEU CB C 41.922 0.025 1 346 32 32 LEU CG C 27.302 0.000 1 347 32 32 LEU CD1 C 24.346 0.000 1 348 32 32 LEU CD2 C 24.346 0.000 1 349 32 32 LEU N N 121.162 0.000 1 350 33 33 LYS H H 7.469 0.000 1 351 33 33 LYS HA H 3.840 0.000 1 352 33 33 LYS HB2 H 1.435 0.000 2 353 33 33 LYS HB3 H 1.113 0.000 2 354 33 33 LYS HG2 H 0.880 0.000 2 355 33 33 LYS HG3 H 0.233 0.000 2 356 33 33 LYS HD2 H 1.236 0.000 2 357 33 33 LYS HD3 H 0.947 0.000 2 358 33 33 LYS HE2 H 2.680 0.000 2 359 33 33 LYS HE3 H 2.502 0.000 2 360 33 33 LYS CA C 58.679 0.000 1 361 33 33 LYS CB C 33.955 0.011 1 362 33 33 LYS CG C 24.780 0.006 1 363 33 33 LYS CD C 28.784 0.007 1 364 33 33 LYS CE C 41.640 0.054 1 365 33 33 LYS N N 116.573 0.000 1 366 34 34 PHE H H 8.444 0.000 1 367 34 34 PHE HA H 4.594 0.000 1 368 34 34 PHE HB2 H 2.948 0.000 2 369 34 34 PHE HB3 H 2.563 0.000 2 370 34 34 PHE HD1 H 7.193 0.000 1 371 34 34 PHE HD2 H 7.193 0.000 1 372 34 34 PHE HE1 H 6.767 0.000 1 373 34 34 PHE HE2 H 6.767 0.000 1 374 34 34 PHE HZ H 6.977 0.000 1 375 34 34 PHE CA C 58.630 0.000 1 376 34 34 PHE CB C 41.383 0.030 1 377 34 34 PHE CD1 C 132.050 0.000 1 378 34 34 PHE CD2 C 132.050 0.000 1 379 34 34 PHE CE1 C 131.729 0.000 1 380 34 34 PHE CE2 C 131.729 0.000 1 381 34 34 PHE CZ C 129.266 0.000 1 382 34 34 PHE N N 113.880 0.000 1 383 35 35 GLY H H 8.334 0.000 1 384 35 35 GLY HA2 H 3.639 0.000 2 385 35 35 GLY HA3 H 3.037 0.000 2 386 35 35 GLY CA C 46.919 0.002 1 387 35 35 GLY N N 112.089 0.000 1 388 36 36 ASP H H 8.797 0.000 1 389 36 36 ASP HA H 4.502 0.000 1 390 36 36 ASP HB2 H 2.865 0.000 2 391 36 36 ASP HB3 H 2.698 0.000 2 392 36 36 ASP CA C 57.070 0.000 1 393 36 36 ASP CB C 40.315 0.007 1 394 36 36 ASP N N 124.385 0.000 1 395 37 37 LYS H H 7.779 0.000 1 396 37 37 LYS HA H 4.060 0.000 1 397 37 37 LYS HB2 H 1.679 0.000 2 398 37 37 LYS HB3 H 1.260 0.000 2 399 37 37 LYS HG2 H 1.289 0.000 2 400 37 37 LYS HG3 H 0.913 0.000 2 401 37 37 LYS HD2 H 1.337 0.000 1 402 37 37 LYS HD3 H 1.337 0.000 1 403 37 37 LYS HE2 H 2.799 0.000 2 404 37 37 LYS HE3 H 2.752 0.000 2 405 37 37 LYS CA C 58.967 0.000 1 406 37 37 LYS CB C 32.431 0.005 1 407 37 37 LYS CG C 24.880 0.066 1 408 37 37 LYS CD C 28.950 0.000 1 409 37 37 LYS CE C 41.550 0.003 1 410 37 37 LYS N N 121.254 0.000 1 411 38 38 LEU H H 7.606 0.000 1 412 38 38 LEU HA H 3.987 0.000 1 413 38 38 LEU HB2 H 2.060 0.000 2 414 38 38 LEU HB3 H 1.615 0.000 2 415 38 38 LEU HG H 1.706 0.000 1 416 38 38 LEU HD1 H 0.942 0.000 2 417 38 38 LEU HD2 H 0.699 0.000 2 418 38 38 LEU CA C 58.559 0.000 1 419 38 38 LEU CB C 42.710 0.005 1 420 38 38 LEU CG C 27.763 0.000 1 421 38 38 LEU CD1 C 25.588 0.000 2 422 38 38 LEU CD2 C 25.992 0.000 2 423 38 38 LEU N N 117.789 0.000 1 424 39 39 LEU H H 7.159 0.000 1 425 39 39 LEU HA H 4.304 0.000 1 426 39 39 LEU HB2 H 1.956 0.000 2 427 39 39 LEU HB3 H 1.771 0.000 2 428 39 39 LEU HG H 1.838 0.000 1 429 39 39 LEU HD1 H 1.076 0.000 2 430 39 39 LEU HD2 H 0.974 0.000 2 431 39 39 LEU CA C 57.708 0.000 1 432 39 39 LEU CB C 41.154 0.005 1 433 39 39 LEU CG C 28.002 0.000 1 434 39 39 LEU CD1 C 25.029 0.000 2 435 39 39 LEU CD2 C 23.968 0.000 2 436 39 39 LEU N N 117.619 0.000 1 437 40 40 GLU H H 7.908 0.000 1 438 40 40 GLU HA H 4.021 0.000 1 439 40 40 GLU HB2 H 2.195 0.000 2 440 40 40 GLU HB3 H 2.101 0.000 2 441 40 40 GLU HG2 H 2.419 0.000 1 442 40 40 GLU HG3 H 2.419 0.000 1 443 40 40 GLU CA C 59.580 0.000 1 444 40 40 GLU CB C 29.413 0.005 1 445 40 40 GLU CG C 37.002 0.000 1 446 40 40 GLU N N 119.748 0.000 1 447 41 41 TYR H H 8.366 0.000 1 448 41 41 TYR HA H 4.176 0.000 1 449 41 41 TYR HB2 H 2.817 0.000 2 450 41 41 TYR HB3 H 3.208 0.000 2 451 41 41 TYR HD1 H 6.916 0.000 1 452 41 41 TYR HD2 H 6.916 0.000 1 453 41 41 TYR HE1 H 6.618 0.000 1 454 41 41 TYR HE2 H 6.618 0.000 1 455 41 41 TYR CA C 62.020 0.000 1 456 41 41 TYR CB C 38.120 0.012 1 457 41 41 TYR CD1 C 132.512 0.000 1 458 41 41 TYR CD2 C 132.512 0.000 1 459 41 41 TYR CE1 C 118.125 0.000 1 460 41 41 TYR CE2 C 118.125 0.000 1 461 41 41 TYR N N 117.674 0.000 1 462 42 42 GLU H H 8.362 0.000 1 463 42 42 GLU HA H 4.399 0.000 1 464 42 42 GLU HB2 H 2.208 0.000 2 465 42 42 GLU HB3 H 2.356 0.000 2 466 42 42 GLU HG2 H 2.508 0.000 2 467 42 42 GLU HG3 H 2.225 0.000 2 468 42 42 GLU CA C 59.876 0.000 1 469 42 42 GLU CB C 30.258 0.027 1 470 42 42 GLU CG C 36.948 0.008 1 471 42 42 GLU N N 123.092 0.000 1 472 43 43 LEU H H 8.491 0.000 1 473 43 43 LEU HA H 4.179 0.000 1 474 43 43 LEU HB2 H 1.956 0.000 2 475 43 43 LEU HB3 H 1.709 0.000 2 476 43 43 LEU HG H 1.797 0.000 1 477 43 43 LEU HD1 H 0.918 0.000 1 478 43 43 LEU HD2 H 0.918 0.000 1 479 43 43 LEU CA C 58.339 0.000 1 480 43 43 LEU CB C 41.656 0.010 1 481 43 43 LEU CG C 27.098 0.000 1 482 43 43 LEU CD1 C 23.962 0.000 1 483 43 43 LEU CD2 C 23.962 0.000 1 484 43 43 LEU N N 124.056 0.000 1 485 44 44 LEU H H 7.762 0.000 1 486 44 44 LEU HA H 4.289 0.000 1 487 44 44 LEU HB2 H 1.854 0.000 2 488 44 44 LEU HB3 H 1.609 0.000 2 489 44 44 LEU HG H 1.674 0.000 1 490 44 44 LEU HD1 H 0.849 0.000 2 491 44 44 LEU HD2 H 0.693 0.000 2 492 44 44 LEU CA C 55.398 0.000 1 493 44 44 LEU CB C 41.651 0.020 1 494 44 44 LEU CG C 29.115 0.000 1 495 44 44 LEU CD1 C 22.284 0.000 2 496 44 44 LEU CD2 C 25.554 0.000 2 497 44 44 LEU N N 116.001 0.000 1 498 45 45 GLY H H 7.992 0.000 1 499 45 45 GLY HA2 H 4.148 0.000 2 500 45 45 GLY HA3 H 3.991 0.000 2 501 45 45 GLY CA C 45.716 0.000 1 502 45 45 GLY N N 107.333 0.000 1 503 46 46 LYS H H 8.072 0.000 1 504 46 46 LYS HA H 4.318 0.000 1 505 46 46 LYS HB2 H 1.991 0.000 2 506 46 46 LYS HB3 H 1.815 0.000 2 507 46 46 LYS HG2 H 1.434 0.000 2 508 46 46 LYS HG3 H 1.387 0.000 2 509 46 46 LYS HD2 H 1.385 0.000 1 510 46 46 LYS HD3 H 1.385 0.000 1 511 46 46 LYS HE2 H 2.855 0.000 1 512 46 46 LYS HE3 H 2.855 0.000 1 513 46 46 LYS CA C 57.769 0.000 1 514 46 46 LYS CB C 34.704 0.004 1 515 46 46 LYS CG C 26.345 0.002 1 516 46 46 LYS CD C 24.781 0.000 1 517 46 46 LYS CE C 42.112 0.000 1 518 46 46 LYS N N 115.963 0.000 1 519 47 47 ILE H H 7.297 0.000 1 520 47 47 ILE HA H 5.113 0.000 1 521 47 47 ILE HB H 1.889 0.000 1 522 47 47 ILE HG12 H 1.237 0.000 2 523 47 47 ILE HG13 H 0.879 0.000 2 524 47 47 ILE HG2 H 0.894 0.000 1 525 47 47 ILE HD1 H 1.057 0.000 1 526 47 47 ILE CA C 58.188 0.000 1 527 47 47 ILE CB C 42.686 0.000 1 528 47 47 ILE CG1 C 25.938 0.026 1 529 47 47 ILE CG2 C 19.413 0.000 1 530 47 47 ILE CD1 C 15.076 0.000 1 531 47 47 ILE N N 109.700 0.000 1 532 48 48 LYS H H 9.133 0.000 1 533 48 48 LYS HA H 4.700 0.000 1 534 48 48 LYS HB2 H 1.682 0.000 2 535 48 48 LYS HB3 H 1.571 0.000 2 536 48 48 LYS HG2 H 1.245 0.000 2 537 48 48 LYS HG3 H 1.177 0.000 2 538 48 48 LYS HD2 H 1.373 0.000 1 539 48 48 LYS HD3 H 1.373 0.000 1 540 48 48 LYS HE2 H 2.849 0.000 1 541 48 48 LYS HE3 H 2.849 0.000 1 542 48 48 LYS CA C 54.683 0.000 1 543 48 48 LYS CB C 36.355 0.000 1 544 48 48 LYS CG C 24.770 0.005 1 545 48 48 LYS CD C 29.227 0.000 1 546 48 48 LYS CE C 41.982 0.000 1 547 48 48 LYS N N 119.903 0.000 1 548 49 49 ARG H H 8.677 0.000 1 549 49 49 ARG HA H 5.027 0.000 1 550 49 49 ARG HB2 H 1.536 0.000 2 551 49 49 ARG HB3 H 1.718 0.000 2 552 49 49 ARG HG2 H 1.279 0.000 1 553 49 49 ARG HG3 H 1.279 0.000 1 554 49 49 ARG HD2 H 2.510 0.000 1 555 49 49 ARG HD3 H 2.510 0.000 1 556 49 49 ARG CA C 55.043 0.000 1 557 49 49 ARG CB C 31.720 0.001 1 558 49 49 ARG CG C 27.122 0.000 1 559 49 49 ARG CD C 43.361 0.001 1 560 49 49 ARG N N 122.344 0.000 1 561 50 50 ILE H H 8.743 0.000 1 562 50 50 ILE HA H 4.195 0.000 1 563 50 50 ILE HB H 1.666 0.000 1 564 50 50 ILE HG12 H 1.346 0.000 2 565 50 50 ILE HG13 H 0.987 0.000 2 566 50 50 ILE HG2 H 0.818 0.000 1 567 50 50 ILE HD1 H 0.754 0.000 1 568 50 50 ILE CA C 60.194 0.000 1 569 50 50 ILE CB C 39.292 0.000 1 570 50 50 ILE CG1 C 26.887 0.004 1 571 50 50 ILE CG2 C 17.244 0.000 1 572 50 50 ILE CD1 C 13.275 0.000 1 573 50 50 ILE N N 126.424 0.000 1 574 51 51 ASN H H 9.200 0.000 1 575 51 51 ASN HA H 4.084 0.000 1 576 51 51 ASN HB2 H 3.016 0.000 2 577 51 51 ASN HB3 H 2.899 0.000 2 578 51 51 ASN CA C 55.472 0.000 1 579 51 51 ASN CB C 37.307 0.007 1 580 51 51 ASN N N 125.109 0.000 1 581 52 52 HIS H H 8.247 0.000 1 582 52 52 HIS HA H 4.354 0.000 1 583 52 52 HIS HB2 H 3.097 0.000 2 584 52 52 HIS HB3 H 3.030 0.000 2 585 52 52 HIS CA C 57.044 0.000 1 586 52 52 HIS CB C 30.132 0.008 1 587 52 52 HIS N N 121.951 0.000 1 588 53 53 ILE H H 8.278 0.000 1 589 53 53 ILE HA H 4.930 0.000 1 590 53 53 ILE HB H 1.860 0.000 1 591 53 53 ILE HG12 H 1.375 0.000 1 592 53 53 ILE HG13 H 1.375 0.000 1 593 53 53 ILE HG2 H 0.754 0.000 1 594 53 53 ILE HD1 H 0.776 0.000 1 595 53 53 ILE CA C 60.192 0.000 1 596 53 53 ILE CB C 41.336 0.000 1 597 53 53 ILE CG1 C 26.411 0.000 1 598 53 53 ILE CG2 C 17.878 0.000 1 599 53 53 ILE CD1 C 13.285 0.000 1 600 53 53 ILE N N 119.876 0.000 1 601 54 54 VAL H H 8.374 0.000 1 602 54 54 VAL HA H 4.604 0.000 1 603 54 54 VAL HB H 1.901 0.000 1 604 54 54 VAL HG1 H 0.949 0.000 2 605 54 54 VAL HG2 H 0.905 0.000 2 606 54 54 VAL CA C 61.495 0.000 1 607 54 54 VAL CB C 33.725 0.000 1 608 54 54 VAL CG1 C 22.266 0.000 2 609 54 54 VAL CG2 C 22.430 0.000 2 610 54 54 VAL N N 121.809 0.000 1 611 55 55 VAL H H 8.535 0.000 1 612 55 55 VAL HA H 4.681 0.000 1 613 55 55 VAL HB H 2.006 0.000 1 614 55 55 VAL HG1 H 0.835 0.000 2 615 55 55 VAL HG2 H 0.700 0.000 2 616 55 55 VAL CA C 58.584 0.000 1 617 55 55 VAL CB C 35.520 0.000 1 618 55 55 VAL CG1 C 21.288 0.000 2 619 55 55 VAL CG2 C 20.232 0.000 2 620 55 55 VAL N N 117.272 0.000 1 621 56 56 LEU H H 8.493 0.000 1 622 56 56 LEU HA H 4.343 0.000 1 623 56 56 LEU HB2 H 1.471 0.000 2 624 56 56 LEU HB3 H 1.522 0.000 2 625 56 56 LEU HG H 1.499 0.000 1 626 56 56 LEU HD1 H 0.933 0.000 2 627 56 56 LEU HD2 H 0.875 0.000 2 628 56 56 LEU CA C 55.397 0.000 1 629 56 56 LEU CB C 42.308 0.002 1 630 56 56 LEU CG C 27.239 0.000 1 631 56 56 LEU CD1 C 25.530 0.004 1 632 56 56 LEU CD2 C 25.530 0.004 1 633 56 56 LEU N N 122.311 0.000 1 634 57 57 ALA H H 7.670 0.000 1 635 57 57 ALA HA H 4.101 0.000 1 636 57 57 ALA HB H 1.104 0.000 1 637 57 57 ALA CA C 52.652 0.000 1 638 57 57 ALA CB C 19.756 0.000 1 639 57 57 ALA N N 124.245 0.000 1 640 58 58 HIS H H 8.243 0.000 1 641 58 58 HIS N N 116.152 0.000 1 stop_ save_