data_18048 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NPM1_C70 ; _BMRB_accession_number 18048 _BMRB_flat_file_name bmr18048.str _Entry_type original _Submission_date 2011-11-09 _Accession_date 2011-11-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Brunori Maurizio . . 4 'Di Matteo' Adele . . 5 Federici Luca . . 6 Gallo Angelo . . 7 'Lo Sterzo' Carlo . . 8 Mori Mirko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 241 "13C chemical shifts" 276 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-15 update BMRB 'update entry citation' 2012-06-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of nucleophosmin DNA-binding domain and analysis of its complex with a G-quadruplex sequence from the c-MYC promoter.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22707729 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gallo Angelo . . 2 'Lo Sterzo' Carlo . . 3 Mori Mirko . . 4 'Di Matteo' Adele . . 5 Bertini Ivano . . 6 Banci Lucia . . 7 Brunori Maurizio . . 8 Federici Luca . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 32 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 26539 _Page_last 26548 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NPM1_C70 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NPM1_C70 $NPM1_C70 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_NPM1_C70 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8101.407 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 70 _Mol_residue_sequence ; QESFKKQEKTPKTPKGPSSV EDIKAKMQASIEKGGSLPKV EAKFINYVKNCFRMTDQEAI QDLWQWRKSL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLN 2 2 GLU 3 3 SER 4 4 PHE 5 5 LYS 6 6 LYS 7 7 GLN 8 8 GLU 9 9 LYS 10 10 THR 11 11 PRO 12 12 LYS 13 13 THR 14 14 PRO 15 15 LYS 16 16 GLY 17 17 PRO 18 18 SER 19 19 SER 20 20 VAL 21 21 GLU 22 22 ASP 23 23 ILE 24 24 LYS 25 25 ALA 26 26 LYS 27 27 MET 28 28 GLN 29 29 ALA 30 30 SER 31 31 ILE 32 32 GLU 33 33 LYS 34 34 GLY 35 35 GLY 36 36 SER 37 37 LEU 38 38 PRO 39 39 LYS 40 40 VAL 41 41 GLU 42 42 ALA 43 43 LYS 44 44 PHE 45 45 ILE 46 46 ASN 47 47 TYR 48 48 VAL 49 49 LYS 50 50 ASN 51 51 CYS 52 52 PHE 53 53 ARG 54 54 MET 55 55 THR 56 56 ASP 57 57 GLN 58 58 GLU 59 59 ALA 60 60 ILE 61 61 GLN 62 62 ASP 63 63 LEU 64 64 TRP 65 65 GLN 66 66 TRP 67 67 ARG 68 68 LYS 69 69 SER 70 70 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 2LLH "Nmr Structure Of Npm1_c70" 100.00 74 100.00 100.00 1.73e-42 PDB 2VXD "The Structure Of The C-terminal Domain Of Nucleophosmin" 75.71 54 98.11 98.11 3.65e-29 DBJ BAC25844 "unnamed protein product [Mus musculus]" 100.00 292 100.00 100.00 3.40e-41 DBJ BAE22562 "unnamed protein product [Mus musculus]" 100.00 292 100.00 100.00 3.40e-41 DBJ BAE26248 "unnamed protein product [Mus musculus]" 100.00 292 100.00 100.00 3.40e-41 DBJ BAE26667 "unnamed protein product [Mus musculus]" 100.00 292 100.00 100.00 3.40e-41 DBJ BAE32244 "unnamed protein product [Mus musculus]" 100.00 292 98.57 98.57 5.84e-40 EMBL CAA34809 "B23 nucleophosmin (280 AA) [Homo sapiens]" 100.00 280 100.00 100.00 2.25e-41 EMBL CAH90204 "hypothetical protein [Pongo abelii]" 100.00 313 100.00 100.00 5.00e-41 GB AAA36380 "nucleophosmin [Homo sapiens]" 100.00 294 100.00 100.00 2.87e-41 GB AAA36385 "nucleolar protein B23 [Homo sapiens]" 100.00 294 100.00 100.00 2.87e-41 GB AAA36473 "nucleolar phosphoprotein B23, partial [Homo sapiens]" 100.00 82 100.00 100.00 9.66e-43 GB AAA36474 "nucleolar phosphoprotein B23, partial [Homo sapiens]" 100.00 82 100.00 100.00 2.46e-42 GB AAA39801 "nucleolar protein [Mus musculus]" 100.00 292 100.00 100.00 3.40e-41 REF NP_001030518 "nucleophosmin [Bos taurus]" 100.00 294 98.57 100.00 4.69e-41 REF NP_001125077 "nucleophosmin [Pongo abelii]" 100.00 313 100.00 100.00 5.00e-41 REF NP_001164790 "nucleophosmin [Oryctolagus cuniculus]" 100.00 313 98.57 100.00 1.29e-40 REF NP_001238905 "nucleophosmin [Pan troglodytes]" 100.00 294 100.00 100.00 2.87e-41 REF NP_001239100 "nucleophosmin [Canis lupus familiaris]" 100.00 294 100.00 100.00 2.58e-41 SP P06748 "RecName: Full=Nucleophosmin; Short=NPM; AltName: Full=Nucleolar phosphoprotein B23; AltName: Full=Nucleolar protein NO38; AltNa" 100.00 294 100.00 100.00 2.87e-41 SP P13084 "RecName: Full=Nucleophosmin; Short=NPM; AltName: Full=Nucleolar phosphoprotein B23; AltName: Full=Nucleolar protein NO38; AltNa" 100.00 292 100.00 100.00 3.40e-41 SP Q3T160 "RecName: Full=Nucleophosmin; Short=NPM" 100.00 294 98.57 100.00 4.69e-41 SP Q61937 "RecName: Full=Nucleophosmin; Short=NPM; AltName: Full=Nucleolar phosphoprotein B23; AltName: Full=Nucleolar protein NO38; AltNa" 100.00 292 100.00 100.00 3.40e-41 TPG DAA18048 "TPA: nucleophosmin [Bos taurus]" 100.00 294 100.00 100.00 2.67e-41 TPG DAA21326 "TPA: nucleophosmin 1-like isoform 1 [Bos taurus]" 100.00 290 97.14 97.14 2.92e-38 TPG DAA21327 "TPA: nucleophosmin 1-like isoform 2 [Bos taurus]" 100.00 262 97.14 97.14 1.73e-38 TPG DAA26330 "TPA: nucleophosmin 1-like isoform 1 [Bos taurus]" 100.00 294 100.00 100.00 2.67e-41 TPG DAA26331 "TPA: nucleophosmin 1-like isoform 2 [Bos taurus]" 100.00 266 100.00 100.00 1.49e-41 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NPM1_C70 Human 9606 Eukaryota Metazoa Homo sapiens 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 $NPM1_C70 'recombinant technology' . Escherichia coli BL21(DE3) pET28+(a) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NPM1_C70 0.5 mM [U-15N] 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NPM1_C70 0.5 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 11.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task validation stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_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 7.2 . pH pressure 1 . atm temperature 298 . 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_ _Experiment_label '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NPM1_C70 _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 2 GLU H H 8.49 0.02 1 2 2 2 GLU HA H 4.13 0.02 1 3 2 2 GLU C C 173.8 0.3 1 4 2 2 GLU CA C 54.1 0.3 1 5 2 2 GLU CB C 27.3 0.3 1 6 2 2 GLU CG C 33.4 0.3 1 7 2 2 GLU N N 122.4 0.3 1 8 3 3 SER H H 8.21 0.02 1 9 3 3 SER HA H 4.24 0.02 1 10 3 3 SER C C 171.5 0.3 1 11 3 3 SER CA C 55.8 0.3 1 12 3 3 SER CB C 60.9 0.3 1 13 3 3 SER N N 116.3 0.3 1 14 4 4 PHE H H 8.04 0.02 1 15 4 4 PHE HA H 4.48 0.02 1 16 4 4 PHE HB2 H 3.02 0.02 2 17 4 4 PHE HB3 H 2.92 0.02 2 18 4 4 PHE C C 172.8 0.3 1 19 4 4 PHE CA C 55.0 0.3 1 20 4 4 PHE CB C 36.5 0.3 1 21 4 4 PHE N N 121.7 0.3 1 22 5 5 LYS H H 7.99 0.02 1 23 5 5 LYS HA H 4.12 0.02 1 24 5 5 LYS C C 173.4 0.3 1 25 5 5 LYS CA C 53.4 0.3 1 26 5 5 LYS CB C 30.1 0.3 1 27 5 5 LYS CG C 21.9 0.3 1 28 5 5 LYS CD C 26.3 0.3 1 29 5 5 LYS CE C 39.3 0.3 1 30 5 5 LYS N N 122.6 0.3 1 31 6 6 LYS H H 8.16 0.02 1 32 6 6 LYS C C 173.7 0.3 1 33 6 6 LYS CA C 53.7 0.3 1 34 6 6 LYS N N 122.8 0.3 1 35 7 7 GLN H H 8.24 0.02 1 36 7 7 GLN HA H 4.53 0.02 1 37 7 7 GLN HB2 H 3.05 0.02 2 38 7 7 GLN HB3 H 2.99 0.02 2 39 7 7 GLN C C 173.6 0.3 1 40 7 7 GLN CA C 53.7 0.3 1 41 7 7 GLN CB C 27.3 0.3 1 42 7 7 GLN N N 120.8 0.3 1 43 8 8 GLU H H 8.27 0.02 1 44 8 8 GLU HA H 4.20 0.02 1 45 8 8 GLU C C 173.1 0.3 1 46 8 8 GLU CA C 52.9 0.3 1 47 8 8 GLU CB C 27.6 0.3 1 48 8 8 GLU N N 121.4 0.3 1 49 9 9 LYS H H 8.39 0.02 1 50 9 9 LYS HA H 4.24 0.02 1 51 9 9 LYS C C 173.7 0.3 1 52 9 9 LYS CA C 53.5 0.3 1 53 9 9 LYS CB C 30.1 0.3 1 54 9 9 LYS CG C 21.9 0.3 1 55 9 9 LYS CD C 26.2 0.3 1 56 9 9 LYS CE C 39.2 0.3 1 57 9 9 LYS N N 123.0 0.3 1 58 10 10 THR H H 8.14 0.02 1 59 10 10 THR HA H 4.45 0.02 1 60 10 10 THR HB H 4.01 0.02 1 61 10 10 THR C C 170.0 0.3 1 62 10 10 THR CA C 57.0 0.3 1 63 10 10 THR CB C 66.8 0.3 1 64 10 10 THR CG2 C 18.7 0.3 1 65 10 10 THR N N 117.9 0.3 1 66 11 11 PRO HA H 4.31 0.02 1 67 11 11 PRO HB2 H 1.85 0.02 2 68 11 11 PRO HB3 H 1.80 0.02 2 69 11 11 PRO HG2 H 1.93 0.02 2 70 11 11 PRO HG3 H 1.87 0.02 2 71 11 11 PRO C C 173.8 0.3 1 72 11 11 PRO CA C 60.4 0.3 1 73 11 11 PRO CB C 29.3 0.3 1 74 11 11 PRO CG C 24.5 0.3 1 75 11 11 PRO CD C 48.3 0.3 1 76 12 12 LYS H H 8.38 0.02 1 77 12 12 LYS HA H 4.21 0.02 1 78 12 12 LYS CA C 53.5 0.3 1 79 12 12 LYS CB C 30.2 0.3 1 80 12 12 LYS CG C 21.9 0.3 1 81 12 12 LYS CD C 26.2 0.3 1 82 12 12 LYS CE C 39.3 0.3 1 83 12 12 LYS N N 121.7 0.3 1 84 13 13 THR H H 7.94 0.02 1 85 13 13 THR HA H 4.36 0.02 1 86 13 13 THR HB H 3.95 0.02 1 87 13 13 THR C C 169.8 0.3 1 88 13 13 THR CA C 55.8 0.3 1 89 13 13 THR CB C 67.8 0.3 1 90 13 13 THR CG2 C 18.1 0.3 1 91 13 13 THR N N 115.6 0.3 1 92 14 14 PRO HA H 4.39 0.02 1 93 14 14 PRO HB2 H 2.19 0.02 2 94 14 14 PRO HB3 H 1.86 0.02 2 95 14 14 PRO C C 174.0 0.3 1 96 14 14 PRO CA C 60.3 0.3 1 97 14 14 PRO CB C 29.2 0.3 1 98 14 14 PRO CG C 24.3 0.3 1 99 14 14 PRO CD C 47.0 0.3 1 100 15 15 LYS H H 8.36 0.02 1 101 15 15 LYS HA H 4.21 0.02 1 102 15 15 LYS CA C 53.5 0.3 1 103 15 15 LYS CB C 30.3 0.3 1 104 15 15 LYS CG C 21.9 0.3 1 105 15 15 LYS CD C 26.3 0.3 1 106 15 15 LYS CE C 39.2 0.3 1 107 15 15 LYS N N 121.7 0.3 1 108 16 16 GLY H H 8.22 0.02 1 109 16 16 GLY HA2 H 3.53 0.02 1 110 16 16 GLY C C 168.9 0.3 1 111 16 16 GLY CA C 41.7 0.3 1 112 16 16 GLY N N 110.1 0.3 1 113 17 17 PRO HA H 4.38 0.02 1 114 17 17 PRO HG2 H 1.93 0.02 2 115 17 17 PRO HG3 H 1.88 0.02 2 116 17 17 PRO C C 174.6 0.3 1 117 17 17 PRO CA C 60.5 0.3 1 118 17 17 PRO CB C 29.4 0.3 1 119 17 17 PRO CG C 24.4 0.3 1 120 17 17 PRO CD C 48.5 0.3 1 121 18 18 SER H H 8.52 0.02 1 122 18 18 SER HA H 4.42 0.02 1 123 18 18 SER C C 171.3 0.3 1 124 18 18 SER CA C 55.9 0.3 1 125 18 18 SER CB C 61.4 0.3 1 126 18 18 SER N N 116.5 0.3 1 127 19 19 SER H H 8.49 0.02 1 128 19 19 SER HA H 4.37 0.02 1 129 19 19 SER C C 172.6 0.3 1 130 19 19 SER CA C 55.5 0.3 1 131 19 19 SER CB C 61.4 0.3 1 132 19 19 SER N N 117.7 0.3 1 133 20 20 VAL H H 8.31 0.02 1 134 20 20 VAL HA H 3.49 0.02 1 135 20 20 VAL HB H 1.93 0.02 1 136 20 20 VAL C C 174.3 0.3 1 137 20 20 VAL CA C 63.5 0.3 1 138 20 20 VAL CB C 28.9 0.3 1 139 20 20 VAL CG1 C 20.6 0.3 1 140 20 20 VAL CG2 C 19.8 0.3 1 141 20 20 VAL N N 120.5 0.3 1 142 21 21 GLU H H 8.11 0.02 1 143 21 21 GLU HA H 3.63 0.02 1 144 21 21 GLU C C 176.3 0.3 1 145 21 21 GLU CA C 56.9 0.3 1 146 21 21 GLU CB C 25.9 0.3 1 147 21 21 GLU CG C 33.6 0.3 1 148 21 21 GLU N N 118.7 0.3 1 149 22 22 ASP H H 7.81 0.02 1 150 22 22 ASP HA H 4.26 0.02 1 151 22 22 ASP HB2 H 2.66 0.02 2 152 22 22 ASP HB3 H 2.54 0.02 2 153 22 22 ASP C C 175.6 0.3 1 154 22 22 ASP CA C 54.2 0.3 1 155 22 22 ASP CB C 37.9 0.3 1 156 22 22 ASP N N 120.4 0.3 1 157 23 23 ILE H H 7.67 0.02 1 158 23 23 ILE HA H 3.10 0.02 1 159 23 23 ILE HB H 1.46 0.02 1 160 23 23 ILE C C 175.1 0.3 1 161 23 23 ILE CA C 62.3 0.3 1 162 23 23 ILE CB C 34.3 0.3 1 163 23 23 ILE CG1 C 25.8 0.3 1 164 23 23 ILE CG2 C 14.3 0.3 1 165 23 23 ILE CD1 C 10.6 0.3 1 166 23 23 ILE N N 120.9 0.3 1 167 24 24 LYS H H 8.06 0.02 1 168 24 24 LYS HA H 3.09 0.02 1 169 24 24 LYS HB2 H 1.18 0.02 2 170 24 24 LYS HB3 H 0.98 0.02 2 171 24 24 LYS HD2 H 0.74 0.02 2 172 24 24 LYS HD3 H 0.53 0.02 2 173 24 24 LYS C C 175.4 0.3 1 174 24 24 LYS CA C 57.4 0.3 1 175 24 24 LYS CB C 29.6 0.3 1 176 24 24 LYS CG C 21.9 0.3 1 177 24 24 LYS CD C 26.7 0.3 1 178 24 24 LYS CE C 38.3 0.3 1 179 24 24 LYS N N 120.0 0.3 1 180 25 25 ALA H H 7.41 0.02 1 181 25 25 ALA HA H 4.03 0.02 1 182 25 25 ALA C C 178.7 0.3 1 183 25 25 ALA CA C 52.3 0.3 1 184 25 25 ALA CB C 14.7 0.3 1 185 25 25 ALA N N 119.0 0.3 1 186 26 26 LYS H H 7.76 0.02 1 187 26 26 LYS HA H 4.05 0.02 1 188 26 26 LYS HG2 H 1.62 0.02 2 189 26 26 LYS HG3 H 1.47 0.02 2 190 26 26 LYS C C 177.6 0.3 1 191 26 26 LYS CA C 56.6 0.3 1 192 26 26 LYS CB C 29.6 0.3 1 193 26 26 LYS CG C 23.0 0.3 1 194 26 26 LYS CD C 26.3 0.3 1 195 26 26 LYS CE C 39.5 0.3 1 196 26 26 LYS N N 120.1 0.3 1 197 27 27 MET H H 8.62 0.02 1 198 27 27 MET HA H 4.22 0.02 1 199 27 27 MET HB2 H 2.44 0.02 2 200 27 27 MET HB3 H 2.20 0.02 2 201 27 27 MET C C 175.9 0.3 1 202 27 27 MET CA C 58.0 0.3 1 203 27 27 MET CB C 30.6 0.3 1 204 27 27 MET N N 120.9 0.3 1 205 28 28 GLN H H 8.97 0.02 1 206 28 28 GLN HA H 4.04 0.02 1 207 28 28 GLN HB2 H 2.09 0.02 2 208 28 28 GLN HB3 H 2.05 0.02 2 209 28 28 GLN HG2 H 2.46 0.02 2 210 28 28 GLN HG3 H 2.40 0.02 2 211 28 28 GLN HE21 H 7.61 0.02 1 212 28 28 GLN HE22 H 6.89 0.02 1 213 28 28 GLN C C 175.5 0.3 1 214 28 28 GLN CA C 56.7 0.3 1 215 28 28 GLN CB C 25.7 0.3 1 216 28 28 GLN CG C 31.4 0.3 1 217 28 28 GLN N N 119.7 0.3 1 218 28 28 GLN NE2 N 112.6 0.3 1 219 29 29 ALA H H 7.94 0.02 1 220 29 29 ALA HA H 4.16 0.02 1 221 29 29 ALA C C 177.5 0.3 1 222 29 29 ALA CA C 52.1 0.3 1 223 29 29 ALA CB C 14.8 0.3 1 224 29 29 ALA N N 120.9 0.3 1 225 30 30 SER H H 7.78 0.02 1 226 30 30 SER HA H 4.18 0.02 1 227 30 30 SER CA C 58.9 0.3 1 228 30 30 SER CB C 60.0 0.3 1 229 30 30 SER N N 112.9 0.3 1 230 31 31 ILE H H 7.94 0.02 1 231 31 31 ILE HA H 3.85 0.02 1 232 31 31 ILE HB H 1.99 0.02 1 233 31 31 ILE C C 173.9 0.3 1 234 31 31 ILE CA C 61.5 0.3 1 235 31 31 ILE CB C 34.9 0.3 1 236 31 31 ILE CG1 C 25.2 0.3 1 237 31 31 ILE CG2 C 14.3 0.3 1 238 31 31 ILE CD1 C 10.3 0.3 1 239 31 31 ILE N N 122.0 0.3 1 240 32 32 GLU H H 8.14 0.02 1 241 32 32 GLU HA H 4.03 0.02 1 242 32 32 GLU HG2 H 2.42 0.02 2 243 32 32 GLU HG3 H 2.26 0.02 2 244 32 32 GLU C C 175.2 0.3 1 245 32 32 GLU CA C 56.3 0.3 1 246 32 32 GLU CB C 26.5 0.3 1 247 32 32 GLU CG C 33.7 0.3 1 248 32 32 GLU N N 121.8 0.3 1 249 33 33 LYS H H 7.35 0.02 1 250 33 33 LYS HA H 4.38 0.02 1 251 33 33 LYS HB2 H 2.02 0.02 2 252 33 33 LYS HB3 H 1.74 0.02 2 253 33 33 LYS C C 173.8 0.3 1 254 33 33 LYS CA C 52.9 0.3 1 255 33 33 LYS CB C 29.5 0.3 1 256 33 33 LYS CG C 22.1 0.3 1 257 33 33 LYS CD C 26.3 0.3 1 258 33 33 LYS CE C 39.3 0.3 1 259 33 33 LYS N N 116.2 0.3 1 260 34 34 GLY H H 7.83 0.02 1 261 34 34 GLY HA2 H 3.71 0.02 1 262 34 34 GLY C C 172.4 0.3 1 263 34 34 GLY CA C 42.6 0.3 1 264 34 34 GLY N N 107.4 0.3 1 265 35 35 GLY H H 8.33 0.02 1 266 35 35 GLY HA2 H 3.53 0.02 1 267 35 35 GLY C C 169.5 0.3 1 268 35 35 GLY CA C 41.6 0.3 1 269 35 35 GLY N N 109.2 0.3 1 270 36 36 SER H H 8.15 0.02 1 271 36 36 SER HA H 4.61 0.02 1 272 36 36 SER C C 171.0 0.3 1 273 36 36 SER CA C 54.0 0.3 1 274 36 36 SER CB C 62.3 0.3 1 275 36 36 SER N N 112.7 0.3 1 276 37 37 LEU H H 8.38 0.02 1 277 37 37 LEU HA H 4.16 0.02 1 278 37 37 LEU C C 173.6 0.3 1 279 37 37 LEU CA C 53.4 0.3 1 280 37 37 LEU CB C 40.5 0.3 1 281 37 37 LEU N N 122.7 0.3 1 282 38 38 PRO HA H 4.27 0.02 1 283 38 38 PRO HG2 H 1.90 0.02 2 284 38 38 PRO HG3 H 1.76 0.02 2 285 38 38 PRO HD2 H 3.50 0.02 2 286 38 38 PRO HD3 H 3.00 0.02 2 287 38 38 PRO C C 174.4 0.3 1 288 38 38 PRO CA C 61.4 0.3 1 289 38 38 PRO CB C 29.8 0.3 1 290 38 38 PRO CG C 25.0 0.3 1 291 38 38 PRO CD C 47.6 0.3 1 292 39 39 LYS H H 8.92 0.02 1 293 39 39 LYS HA H 4.38 0.02 1 294 39 39 LYS HB2 H 1.90 0.02 2 295 39 39 LYS HB3 H 1.67 0.02 2 296 39 39 LYS HG2 H 1.39 0.02 2 297 39 39 LYS HG3 H 1.34 0.02 2 298 39 39 LYS C C 172.3 0.3 1 299 39 39 LYS CA C 53.7 0.3 1 300 39 39 LYS CB C 31.3 0.3 1 301 39 39 LYS CG C 22.8 0.3 1 302 39 39 LYS CD C 26.7 0.3 1 303 39 39 LYS CE C 39.3 0.3 1 304 39 39 LYS N N 122.3 0.3 1 305 40 40 VAL H H 7.00 0.02 1 306 40 40 VAL HA H 4.28 0.02 1 307 40 40 VAL HB H 1.81 0.02 1 308 40 40 VAL C C 173.6 0.3 1 309 40 40 VAL CA C 58.1 0.3 1 310 40 40 VAL CB C 31.4 0.3 1 311 40 40 VAL CG1 C 18.7 0.3 1 312 40 40 VAL CG2 C 18.3 0.3 1 313 40 40 VAL N N 118.5 0.3 1 314 41 41 GLU H H 8.82 0.02 1 315 41 41 GLU HA H 3.95 0.02 1 316 41 41 GLU C C 174.7 0.3 1 317 41 41 GLU CA C 57.7 0.3 1 318 41 41 GLU CB C 27.1 0.3 1 319 41 41 GLU N N 131.8 0.3 1 320 42 42 ALA H H 8.63 0.02 1 321 42 42 ALA HA H 3.79 0.02 1 322 42 42 ALA C C 178.0 0.3 1 323 42 42 ALA CA C 52.9 0.3 1 324 42 42 ALA CB C 15.4 0.3 1 325 42 42 ALA N N 117.7 0.3 1 326 43 43 LYS H H 6.53 0.02 1 327 43 43 LYS HA H 4.09 0.02 1 328 43 43 LYS C C 176.6 0.3 1 329 43 43 LYS CA C 55.2 0.3 1 330 43 43 LYS CB C 30.0 0.3 1 331 43 43 LYS CG C 22.7 0.3 1 332 43 43 LYS CD C 26.0 0.3 1 333 43 43 LYS CE C 39.3 0.3 1 334 43 43 LYS N N 113.5 0.3 1 335 44 44 PHE H H 8.61 0.02 1 336 44 44 PHE HA H 3.94 0.02 1 337 44 44 PHE HB2 H 3.02 0.02 2 338 44 44 PHE HB3 H 2.92 0.02 2 339 44 44 PHE C C 173.3 0.3 1 340 44 44 PHE CA C 60.3 0.3 1 341 44 44 PHE CB C 36.7 0.3 1 342 44 44 PHE N N 123.6 0.3 1 343 45 45 ILE H H 8.69 0.02 1 344 45 45 ILE HA H 3.37 0.02 1 345 45 45 ILE HB H 1.68 0.02 1 346 45 45 ILE C C 174.7 0.3 1 347 45 45 ILE CA C 63.5 0.3 1 348 45 45 ILE CB C 35.0 0.3 1 349 45 45 ILE CG1 C 25.9 0.3 1 350 45 45 ILE CG2 C 14.1 0.3 1 351 45 45 ILE CD1 C 11.0 0.3 1 352 45 45 ILE N N 119.6 0.3 1 353 46 46 ASN H H 7.32 0.02 1 354 46 46 ASN HA H 4.25 0.02 1 355 46 46 ASN HD21 H 7.23 0.02 1 356 46 46 ASN HD22 H 6.70 0.02 1 357 46 46 ASN C C 173.8 0.3 1 358 46 46 ASN CA C 53.8 0.3 1 359 46 46 ASN CB C 35.6 0.3 1 360 46 46 ASN N N 115.9 0.3 1 361 46 46 ASN ND2 N 111.7 0.3 1 362 47 47 TYR H H 7.84 0.02 1 363 47 47 TYR HA H 4.29 0.02 1 364 47 47 TYR C C 174.4 0.3 1 365 47 47 TYR CA C 58.2 0.3 1 366 47 47 TYR CB C 35.8 0.3 1 367 47 47 TYR N N 120.9 0.3 1 368 48 48 VAL H H 8.26 0.02 1 369 48 48 VAL HA H 3.47 0.02 1 370 48 48 VAL HB H 1.97 0.02 1 371 48 48 VAL C C 176.3 0.3 1 372 48 48 VAL CA C 63.8 0.3 1 373 48 48 VAL CB C 28.4 0.3 1 374 48 48 VAL CG1 C 20.7 0.3 1 375 48 48 VAL CG2 C 19.9 0.3 1 376 48 48 VAL N N 117.8 0.3 1 377 49 49 LYS H H 8.07 0.02 1 378 49 49 LYS HA H 3.95 0.02 1 379 49 49 LYS HB2 H 1.73 0.02 2 380 49 49 LYS HB3 H 1.68 0.02 2 381 49 49 LYS HG2 H 1.59 0.02 2 382 49 49 LYS HG3 H 1.29 0.02 2 383 49 49 LYS HD2 H 1.51 0.02 2 384 49 49 LYS HD3 H 1.49 0.02 2 385 49 49 LYS HE2 H 2.73 0.02 2 386 49 49 LYS HE3 H 2.69 0.02 2 387 49 49 LYS C C 176.4 0.3 1 388 49 49 LYS CA C 57.6 0.3 1 389 49 49 LYS CB C 29.9 0.3 1 390 49 49 LYS CG C 22.8 0.3 1 391 49 49 LYS CD C 26.9 0.3 1 392 49 49 LYS CE C 39.2 0.3 1 393 49 49 LYS N N 119.7 0.3 1 394 50 50 ASN H H 8.08 0.02 1 395 50 50 ASN HA H 4.35 0.02 1 396 50 50 ASN HB2 H 2.72 0.02 2 397 50 50 ASN HB3 H 2.57 0.02 2 398 50 50 ASN HD21 H 7.36 0.02 1 399 50 50 ASN HD22 H 6.81 0.02 1 400 50 50 ASN C C 174.1 0.3 1 401 50 50 ASN CA C 53.0 0.3 1 402 50 50 ASN CB C 36.3 0.3 1 403 50 50 ASN N N 115.6 0.3 1 404 50 50 ASN ND2 N 112.7 0.3 1 405 51 51 CYS H H 8.48 0.02 1 406 51 51 CYS C C 172.8 0.3 1 407 51 51 CYS CA C 58.8 0.3 1 408 51 51 CYS CB C 24.2 0.3 1 409 51 51 CYS N N 115.8 0.3 1 410 52 52 PHE H H 7.23 0.02 1 411 52 52 PHE HA H 4.62 0.02 1 412 52 52 PHE HB2 H 3.22 0.02 2 413 52 52 PHE HB3 H 2.70 0.02 2 414 52 52 PHE C C 171.9 0.3 1 415 52 52 PHE CA C 54.6 0.3 1 416 52 52 PHE CB C 36.9 0.3 1 417 52 52 PHE N N 112.7 0.3 1 418 53 53 ARG H H 7.20 0.02 1 419 53 53 ARG C C 172.0 0.3 1 420 53 53 ARG CA C 53.9 0.3 1 421 53 53 ARG CB C 23.5 0.3 1 422 53 53 ARG N N 114.5 0.3 1 423 54 54 MET H H 6.77 0.02 1 424 54 54 MET HA H 4.43 0.02 1 425 54 54 MET HB2 H 1.68 0.02 2 426 54 54 MET HB3 H 1.59 0.02 2 427 54 54 MET C C 172.6 0.3 1 428 54 54 MET CA C 52.8 0.3 1 429 54 54 MET CB C 31.5 0.3 1 430 54 54 MET N N 116.8 0.3 1 431 55 55 THR H H 8.48 0.02 1 432 55 55 THR HA H 4.28 0.02 1 433 55 55 THR HB H 4.28 0.02 1 434 55 55 THR C C 171.8 0.3 1 435 55 55 THR CA C 58.4 0.3 1 436 55 55 THR CB C 67.4 0.3 1 437 55 55 THR CG2 C 18.6 0.3 1 438 55 55 THR N N 110.8 0.3 1 439 56 56 ASP H H 7.45 0.02 1 440 56 56 ASP HA H 4.48 0.02 1 441 56 56 ASP HB2 H 2.79 0.02 2 442 56 56 ASP HB3 H 2.59 0.02 2 443 56 56 ASP C C 173.2 0.3 1 444 56 56 ASP CA C 51.6 0.3 1 445 56 56 ASP CB C 39.1 0.3 1 446 56 56 ASP N N 123.8 0.3 1 447 57 57 GLN H H 8.88 0.02 1 448 57 57 GLN HA H 3.80 0.02 1 449 57 57 GLN HB2 H 2.08 0.02 2 450 57 57 GLN HB3 H 2.03 0.02 2 451 57 57 GLN HG2 H 2.46 0.02 2 452 57 57 GLN HG3 H 2.37 0.02 2 453 57 57 GLN HE21 H 7.42 0.02 1 454 57 57 GLN HE22 H 7.10 0.02 1 455 57 57 GLN C C 175.4 0.3 1 456 57 57 GLN CA C 56.6 0.3 1 457 57 57 GLN CB C 25.6 0.3 1 458 57 57 GLN CG C 30.8 0.3 1 459 57 57 GLN N N 126.6 0.3 1 460 57 57 GLN NE2 N 111.5 0.3 1 461 58 58 GLU H H 8.22 0.02 1 462 58 58 GLU HA H 3.98 0.02 1 463 58 58 GLU HB2 H 2.06 0.02 2 464 58 58 GLU HB3 H 2.01 0.02 2 465 58 58 GLU HG2 H 2.26 0.02 2 466 58 58 GLU HG3 H 2.18 0.02 2 467 58 58 GLU C C 175.9 0.3 1 468 58 58 GLU CA C 56.9 0.3 1 469 58 58 GLU CB C 26.3 0.3 1 470 58 58 GLU CG C 34.1 0.3 1 471 58 58 GLU N N 119.4 0.3 1 472 59 59 ALA H H 7.71 0.02 1 473 59 59 ALA HA H 4.10 0.02 1 474 59 59 ALA C C 177.4 0.3 1 475 59 59 ALA CA C 51.9 0.3 1 476 59 59 ALA CB C 15.9 0.3 1 477 59 59 ALA N N 123.3 0.3 1 478 60 60 ILE H H 8.13 0.02 1 479 60 60 ILE HA H 3.50 0.02 1 480 60 60 ILE HB H 1.81 0.02 1 481 60 60 ILE C C 175.1 0.3 1 482 60 60 ILE CA C 63.8 0.3 1 483 60 60 ILE CB C 34.8 0.3 1 484 60 60 ILE CG1 C 27.1 0.3 1 485 60 60 ILE CG2 C 16.1 0.3 1 486 60 60 ILE CD1 C 10.4 0.3 1 487 60 60 ILE N N 117.3 0.3 1 488 61 61 GLN H H 8.00 0.02 1 489 61 61 GLN HA H 4.18 0.02 1 490 61 61 GLN HG2 H 2.51 0.02 2 491 61 61 GLN HG3 H 2.47 0.02 2 492 61 61 GLN HE21 H 7.45 0.02 1 493 61 61 GLN HE22 H 6.78 0.02 1 494 61 61 GLN C C 175.9 0.3 1 495 61 61 GLN CA C 56.3 0.3 1 496 61 61 GLN CB C 25.0 0.3 1 497 61 61 GLN CG C 31.6 0.3 1 498 61 61 GLN N N 118.8 0.3 1 499 61 61 GLN NE2 N 112.2 0.3 1 500 62 62 ASP H H 8.02 0.02 1 501 62 62 ASP HA H 4.39 0.02 1 502 62 62 ASP HB2 H 2.81 0.02 2 503 62 62 ASP HB3 H 2.65 0.02 2 504 62 62 ASP C C 177.2 0.3 1 505 62 62 ASP CA C 55.0 0.3 1 506 62 62 ASP CB C 37.9 0.3 1 507 62 62 ASP N N 121.0 0.3 1 508 63 63 LEU H H 8.22 0.02 1 509 63 63 LEU HA H 4.20 0.02 1 510 63 63 LEU HB2 H 2.44 0.02 2 511 63 63 LEU HB3 H 1.64 0.02 2 512 63 63 LEU HG H 1.88 0.02 1 513 63 63 LEU C C 175.6 0.3 1 514 63 63 LEU CA C 55.4 0.3 1 515 63 63 LEU CB C 39.4 0.3 1 516 63 63 LEU CG C 24.0 0.3 1 517 63 63 LEU CD1 C 21.2 0.3 1 518 63 63 LEU CD2 C 21.0 0.3 1 519 63 63 LEU N N 120.7 0.3 1 520 64 64 TRP H H 8.89 0.02 1 521 64 64 TRP HA H 4.03 0.02 1 522 64 64 TRP HB2 H 3.37 0.02 2 523 64 64 TRP HB3 H 3.17 0.02 2 524 64 64 TRP HE1 H 9.81 0.02 1 525 64 64 TRP C C 173.5 0.3 1 526 64 64 TRP CA C 56.2 0.3 1 527 64 64 TRP CB C 26.8 0.3 1 528 64 64 TRP N N 122.4 0.3 1 529 64 64 TRP NE1 N 127.5 0.3 1 530 65 65 GLN H H 8.31 0.02 1 531 65 65 GLN HA H 3.29 0.02 1 532 65 65 GLN HB2 H 2.08 0.02 2 533 65 65 GLN HB3 H 2.02 0.02 2 534 65 65 GLN HE21 H 7.43 0.02 1 535 65 65 GLN HE22 H 7.10 0.02 1 536 65 65 GLN C C 176.2 0.3 1 537 65 65 GLN CA C 55.9 0.3 1 538 65 65 GLN CB C 24.7 0.3 1 539 65 65 GLN CG C 30.8 0.3 1 540 65 65 GLN N N 116.7 0.3 1 541 65 65 GLN NE2 N 111.0 0.3 1 542 66 66 TRP H H 7.75 0.02 1 543 66 66 TRP HA H 4.01 0.02 1 544 66 66 TRP HB2 H 3.55 0.02 2 545 66 66 TRP HB3 H 3.18 0.02 2 546 66 66 TRP HE1 H 10.11 0.02 1 547 66 66 TRP C C 175.1 0.3 1 548 66 66 TRP CA C 58.1 0.3 1 549 66 66 TRP CB C 24.6 0.3 1 550 66 66 TRP N N 119.5 0.3 1 551 66 66 TRP NE1 N 130.5 0.3 1 552 67 67 ARG H H 8.64 0.02 1 553 67 67 ARG HA H 4.05 0.02 1 554 67 67 ARG C C 177.8 0.3 1 555 67 67 ARG CA C 56.5 0.3 1 556 67 67 ARG CB C 25.3 0.3 1 557 67 67 ARG N N 122.3 0.3 1 558 68 68 LYS H H 7.86 0.02 1 559 68 68 LYS HA H 3.39 0.02 1 560 68 68 LYS HB2 H 1.00 0.02 2 561 68 68 LYS HB3 H 0.64 0.02 2 562 68 68 LYS HE2 H 2.55 0.02 2 563 68 68 LYS HE3 H 2.34 0.02 2 564 68 68 LYS C C 173.8 0.3 1 565 68 68 LYS CA C 55.5 0.3 1 566 68 68 LYS CB C 28.0 0.3 1 567 68 68 LYS CG C 23.0 0.3 1 568 68 68 LYS CD C 26.0 0.3 1 569 68 68 LYS CE C 38.6 0.3 1 570 68 68 LYS N N 118.4 0.3 1 571 69 69 SER H H 7.06 0.02 1 572 69 69 SER HA H 4.20 0.02 1 573 69 69 SER HB2 H 3.78 0.02 2 574 69 69 SER HB3 H 3.66 0.02 2 575 69 69 SER C C 170.3 0.3 1 576 69 69 SER CA C 55.7 0.3 1 577 69 69 SER CB C 61.5 0.3 1 578 69 69 SER N N 114.5 0.3 1 579 70 70 LEU H H 6.62 0.02 1 580 70 70 LEU HA H 3.64 0.02 1 581 70 70 LEU HB2 H 1.12 0.02 2 582 70 70 LEU HB3 H 0.96 0.02 2 583 70 70 LEU HG H 0.96 0.02 1 584 70 70 LEU C C 179.9 0.3 1 585 70 70 LEU CA C 54.3 0.3 1 586 70 70 LEU CB C 39.8 0.3 1 587 70 70 LEU CG C 22.7 0.3 1 588 70 70 LEU CD1 C 21.9 0.3 1 589 70 70 LEU CD2 C 18.5 0.3 1 590 70 70 LEU N N 127.5 0.3 1 stop_ save_