data_15055 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure for the N-terminus of chromosomal replication initiation protein dnaA from M. genitalium ; _BMRB_accession_number 15055 _BMRB_flat_file_name bmr15055.str _Entry_type original _Submission_date 2006-11-27 _Accession_date 2006-11-27 _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 Lowery Thomas J. . 2 Pelton Jeffrey G. . 3 Wemmer David E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 500 "13C chemical shifts" 403 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2007-10-16 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structure of the N-terminal domain of the replication initiator protein DnaA' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17680349 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lowery Thomas J. . 2 Pelton Jeffrey G. . 3 Chandonia John-Marc . . 4 Kim Rosalind . . 5 Yokota Hisao . . 6 Wemmer David E. . stop_ _Journal_abbreviation 'J. Struct. Funct. Genomics' _Journal_name_full 'Journal of Structural and Functional Genomics' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11 _Page_last 17 _Year 2007 _Details . loop_ _Keyword bacteria 'DNA replication' 'solution structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'N-term of dnaA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label N_dnaA $N_dnaA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . loop_ _Biological_function 'replication initiation' stop_ _Database_query_date . _Details 'N-terminus of dnaA from M. genitalium' save_ ######################## # Monomeric polymers # ######################## save_N_dnaA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common N_dnaA _Molecular_mass 11870.441 _Mol_thiol_state 'not present' loop_ _Biological_function 'replication initiation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; MEQFNAFKSLLKKHYEKTIG FHDKYIKDINRFVFKNNVLL ILLENEFARNSLNDNSEIIH LAESLYEGIKSVNFVNEQDF FFNLAKLEENSRDTLYQNSG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 GLN 4 PHE 5 ASN 6 ALA 7 PHE 8 LYS 9 SER 10 LEU 11 LEU 12 LYS 13 LYS 14 HIS 15 TYR 16 GLU 17 LYS 18 THR 19 ILE 20 GLY 21 PHE 22 HIS 23 ASP 24 LYS 25 TYR 26 ILE 27 LYS 28 ASP 29 ILE 30 ASN 31 ARG 32 PHE 33 VAL 34 PHE 35 LYS 36 ASN 37 ASN 38 VAL 39 LEU 40 LEU 41 ILE 42 LEU 43 LEU 44 GLU 45 ASN 46 GLU 47 PHE 48 ALA 49 ARG 50 ASN 51 SER 52 LEU 53 ASN 54 ASP 55 ASN 56 SER 57 GLU 58 ILE 59 ILE 60 HIS 61 LEU 62 ALA 63 GLU 64 SER 65 LEU 66 TYR 67 GLU 68 GLY 69 ILE 70 LYS 71 SER 72 VAL 73 ASN 74 PHE 75 VAL 76 ASN 77 GLU 78 GLN 79 ASP 80 PHE 81 PHE 82 PHE 83 ASN 84 LEU 85 ALA 86 LYS 87 LEU 88 GLU 89 GLU 90 ASN 91 SER 92 ARG 93 ASP 94 THR 95 LEU 96 TYR 97 GLN 98 ASN 99 SER 100 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JMP "Structure For The N-Terminus Of Chromosomal Replication Initiation Protein Dnaa From M. Genitalium" 100.00 107 100.00 100.00 1.90e-62 GB AAC72490 "chromosomal replication initiator protein DnaA [Mycoplasma genitalium G37]" 100.00 437 100.00 100.00 1.51e-59 GB ABY79668 "chromosomal replication initiator protein DnaA [synthetic Mycoplasma genitalium JCVI-1.0]" 100.00 437 100.00 100.00 1.51e-59 GB AFQ03308 "chromosomal replication initiation protein [Mycoplasma genitalium M2321]" 100.00 437 100.00 100.00 1.51e-59 GB AFQ03792 "chromosomal replication initiation protein [Mycoplasma genitalium M6282]" 100.00 437 100.00 100.00 1.51e-59 GB AFQ04301 "chromosomal replication initiation protein [Mycoplasma genitalium M6320]" 100.00 437 100.00 100.00 1.51e-59 REF WP_010869493 "chromosomal replication initiator protein DnaA [Mycoplasma genitalium]" 100.00 437 100.00 100.00 1.51e-59 REF WP_014894707 "chromosomal replication initiator protein DnaA [Mycoplasma genitalium]" 100.00 437 100.00 100.00 1.65e-59 SP P35888 "RecName: Full=Chromosomal replication initiator protein DnaA" 100.00 437 100.00 100.00 1.51e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $N_dnaA 'Mycoplasma genitalium' 2097 Bacteria . Mycoplasma genitalium 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 $N_dnaA 'recombinant technology' . Escherichia coli . LIC(pB3) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'uniformly 15N-labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N_dnaA 0.75 mM '[U-100% 15N]' 'sodium phosphate' 50 mM . 'sodium chloride' 100 mM . EDTA 2 mM . 'sodium azide' 0.05 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'uniformly 13C/15N-labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N_dnaA 0.75 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 50 mM . 'sodium chloride' 100 mM . EDTA 2 mM . 'sodium azide' 0.05 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details unlabeled loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N_dnaA 0.75 mM 'natural abundance' 'sodium phosphate' 50 mM . 'sodium chloride' 100 mM . EDTA 2 mM . 'sodium azide' 0.05 % . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details unlabeled loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N_dnaA 0.75 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 50 mM . 'sodium chloride' 100 mM . EDTA 2 mM . 'sodium azide' 0.05 % . stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '10% 13C labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $N_dnaA 0.75 mM '[10% 13C]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 2 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.5 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; NIDDK NIH Bethesda, MD. ; delaglio@nih.gov stop_ loop_ _Task 'data analysis' processing stop_ _Details 'Revision 2006.184.15.37' save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'Rochus Keller & Datonal AG' 'CH-6343 Rotkreuz' http://www.nmr.ch/ stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Date 2006-07-05' save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.11.2 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' ; NIDDK, NIH Bethesda, MD. ; Charles@Schwieters.org stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3d_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3d HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_H(CCO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ save_4D_HCCH_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HCCH NOESY' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_2D_1H-1H_NOESY_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_DQF-COSY_22 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_23 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.2 pH pressure 1 . atm temperature 298 2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D C(CO)NH' '3d HN(CA)CO' '3D HNHA' '3D HN(CA)CO' '3D H(CCO)NH' '3D 1H-15N TOCSY' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '2D 1H-13C HSQC' '2D DQF-COSY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_5 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name N_dnaA _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 8.44 0.02 1 2 2 2 GLU HA H 4.08 0.02 1 3 2 2 GLU HB2 H 1.98 0.02 2 4 2 2 GLU HB3 H 2.05 0.02 2 5 2 2 GLU HG2 H 2.26 0.02 2 6 2 2 GLU HG3 H 2.30 0.02 2 7 2 2 GLU C C 179.8 0.2 1 8 2 2 GLU CA C 60.2 0.2 1 9 2 2 GLU CB C 29.0 0.2 1 10 2 2 GLU CG C 36.9 0.2 1 11 2 2 GLU N N 121.1 0.2 1 12 3 3 GLN H H 8.01 0.02 1 13 3 3 GLN HA H 4.05 0.02 1 14 3 3 GLN HB2 H 1.86 0.02 2 15 3 3 GLN HG2 H 1.94 0.02 2 16 3 3 GLN HG3 H 1.76 0.02 2 17 3 3 GLN C C 179.6 0.2 1 18 3 3 GLN CA C 59.0 0.2 1 19 3 3 GLN CB C 29.4 0.2 1 20 3 3 GLN CG C 33.4 0.2 1 21 3 3 GLN N N 121.0 0.2 1 22 4 4 PHE H H 7.70 0.02 1 23 4 4 PHE HA H 4.29 0.02 1 24 4 4 PHE HB2 H 2.73 0.02 2 25 4 4 PHE HB3 H 2.53 0.02 2 26 4 4 PHE HD1 H 6.90 0.02 3 27 4 4 PHE C C 178.6 0.2 1 28 4 4 PHE CA C 61.9 0.2 1 29 4 4 PHE CB C 39.3 0.2 1 30 4 4 PHE CD1 C 131.6 0.2 3 31 4 4 PHE N N 120.5 0.2 1 32 5 5 ASN H H 8.72 0.02 1 33 5 5 ASN HA H 4.30 0.02 1 34 5 5 ASN HB2 H 2.92 0.02 2 35 5 5 ASN HB3 H 2.73 0.02 2 36 5 5 ASN C C 179.2 0.2 1 37 5 5 ASN CA C 56.0 0.2 1 38 5 5 ASN CB C 37.4 0.2 1 39 5 5 ASN N N 118.6 0.2 1 40 6 6 ALA H H 8.05 0.02 1 41 6 6 ALA HA H 4.15 0.02 1 42 6 6 ALA HB H 1.53 0.02 1 43 6 6 ALA C C 180.7 0.2 1 44 6 6 ALA CA C 55.2 0.2 1 45 6 6 ALA CB C 17.3 0.2 1 46 6 6 ALA N N 125.3 0.2 1 47 7 7 PHE H H 8.09 0.02 1 48 7 7 PHE HA H 4.14 0.02 1 49 7 7 PHE HB2 H 3.24 0.02 2 50 7 7 PHE HB3 H 3.18 0.02 2 51 7 7 PHE HD1 H 6.83 0.02 3 52 7 7 PHE C C 177.5 0.2 1 53 7 7 PHE CA C 60.4 0.2 1 54 7 7 PHE CB C 38.3 0.2 1 55 7 7 PHE CD1 C 131.1 0.2 3 56 7 7 PHE N N 123.5 0.2 1 57 8 8 LYS H H 8.45 0.02 1 58 8 8 LYS HA H 3.30 0.02 1 59 8 8 LYS HB2 H 1.83 0.02 2 60 8 8 LYS HB3 H 1.68 0.02 2 61 8 8 LYS HG2 H 1.13 0.02 2 62 8 8 LYS HG3 H 0.75 0.02 2 63 8 8 LYS HD2 H 1.72 0.02 2 64 8 8 LYS HE2 H 3.05 0.02 2 65 8 8 LYS C C 179.5 0.2 1 66 8 8 LYS CA C 61.6 0.2 1 67 8 8 LYS CB C 31.7 0.2 1 68 8 8 LYS CG C 26.7 0.2 1 69 8 8 LYS CD C 30.4 0.2 1 70 8 8 LYS CE C 42.2 0.2 1 71 8 8 LYS N N 119.3 0.2 1 72 9 9 SER H H 7.96 0.02 1 73 9 9 SER HA H 4.13 0.02 1 74 9 9 SER HB2 H 3.97 0.02 2 75 9 9 SER HB3 H 3.92 0.02 2 76 9 9 SER CA C 62.2 0.2 1 77 9 9 SER CB C 64.1 0.2 1 78 9 9 SER N N 115.6 0.2 1 79 10 10 LEU H H 7.79 0.02 1 80 10 10 LEU HA H 4.13 0.02 1 81 10 10 LEU HB2 H 2.07 0.02 2 82 10 10 LEU HB3 H 1.40 0.02 2 83 10 10 LEU HG H 1.90 0.02 1 84 10 10 LEU HD1 H 0.91 0.02 1 85 10 10 LEU HD2 H 0.84 0.02 1 86 10 10 LEU C C 181.0 0.2 1 87 10 10 LEU CA C 57.9 0.2 1 88 10 10 LEU CB C 41.8 0.2 1 89 10 10 LEU CG C 26.9 0.2 1 90 10 10 LEU CD1 C 26.8 0.2 1 91 10 10 LEU CD2 C 22.6 0.2 1 92 10 10 LEU N N 123.5 0.2 1 93 11 11 LEU H H 7.98 0.02 1 94 11 11 LEU HA H 3.89 0.02 1 95 11 11 LEU HB2 H 1.35 0.02 2 96 11 11 LEU HB3 H 2.05 0.02 2 97 11 11 LEU HG H 1.06 0.02 1 98 11 11 LEU HD1 H 0.41 0.02 2 99 11 11 LEU HD2 H 0.63 0.02 2 100 11 11 LEU C C 178.4 0.2 1 101 11 11 LEU CA C 57.5 0.2 1 102 11 11 LEU CB C 41.5 0.2 1 103 11 11 LEU CG C 26.3 0.2 1 104 11 11 LEU CD1 C 25.2 0.2 2 105 11 11 LEU CD2 C 23.5 0.2 2 106 11 11 LEU N N 120.0 0.2 1 107 12 12 LYS H H 8.11 0.02 1 108 12 12 LYS HA H 3.51 0.02 1 109 12 12 LYS HB2 H 1.82 0.02 2 110 12 12 LYS HB3 H 0.97 0.02 2 111 12 12 LYS HG2 H 0.95 0.02 2 112 12 12 LYS HG3 H 0.47 0.02 2 113 12 12 LYS HD2 H 1.10 0.02 2 114 12 12 LYS HD3 H 1.30 0.02 2 115 12 12 LYS HE2 H 2.69 0.02 2 116 12 12 LYS C C 179.3 0.2 1 117 12 12 LYS CA C 60.0 0.2 1 118 12 12 LYS CB C 32.1 0.2 1 119 12 12 LYS CG C 24.8 0.2 1 120 12 12 LYS CD C 29.7 0.2 1 121 12 12 LYS CE C 41.8 0.2 1 122 12 12 LYS N N 121.4 0.2 1 123 13 13 LYS H H 7.28 0.02 1 124 13 13 LYS HA H 4.04 0.02 1 125 13 13 LYS HB2 H 1.93 0.02 2 126 13 13 LYS HB3 H 1.83 0.02 2 127 13 13 LYS HG2 H 1.40 0.02 2 128 13 13 LYS HD2 H 1.62 0.02 2 129 13 13 LYS HE2 H 2.9 0.02 2 130 13 13 LYS C C 180.2 0.2 1 131 13 13 LYS CA C 58.6 0.2 1 132 13 13 LYS CB C 31.7 0.2 1 133 13 13 LYS CG C 24.6 0.2 1 134 13 13 LYS CD C 28.8 0.2 1 135 13 13 LYS CE C 42.3 0.2 1 136 13 13 LYS N N 117.9 0.2 1 137 14 14 HIS H H 8.13 0.02 1 138 14 14 HIS HA H 3.94 0.02 1 139 14 14 HIS HB2 H 3.00 0.02 2 140 14 14 HIS C C 177.3 0.2 1 141 14 14 HIS CA C 60.1 0.2 1 142 14 14 HIS CB C 29.9 0.2 1 143 14 14 HIS N N 119.2 0.2 1 144 15 15 TYR H H 7.94 0.02 1 145 15 15 TYR HA H 4.26 0.02 1 146 15 15 TYR HB2 H 3.71 0.02 2 147 15 15 TYR HB3 H 2.71 0.02 2 148 15 15 TYR HD1 H 6.98 0.02 3 149 15 15 TYR HE1 H 6.38 0.02 3 150 15 15 TYR C C 176.3 0.2 1 151 15 15 TYR CA C 60.7 0.2 1 152 15 15 TYR CB C 38.0 0.2 1 153 15 15 TYR CD1 C 132.9 0.2 3 154 15 15 TYR CE1 C 118.1 0.2 3 155 15 15 TYR N N 113.3 0.2 1 156 16 16 GLU H H 7.10 0.02 1 157 16 16 GLU HA H 4.19 0.02 1 158 16 16 GLU HB2 H 2.22 0.02 2 159 16 16 GLU HB3 H 2.05 0.02 2 160 16 16 GLU C C 178.1 0.2 1 161 16 16 GLU CA C 60.0 0.2 1 162 16 16 GLU CB C 29.9 0.2 1 163 16 16 GLU N N 120.7 0.2 1 164 17 17 LYS H H 8.24 0.02 1 165 17 17 LYS HA H 4.25 0.02 1 166 17 17 LYS HB2 H 1.91 0.02 2 167 17 17 LYS HB3 H 1.68 0.02 2 168 17 17 LYS HG2 H 1.42 0.02 2 169 17 17 LYS HG3 H 1.36 0.02 2 170 17 17 LYS HD2 H 1.63 0.02 2 171 17 17 LYS HD3 H 1.58 0.02 2 172 17 17 LYS HE2 H 2.88 0.02 2 173 17 17 LYS CA C 56.9 0.2 1 174 17 17 LYS CB C 31.8 0.2 1 175 17 17 LYS CG C 25.4 0.2 1 176 17 17 LYS CD C 29.0 0.2 1 177 17 17 LYS CE C 42.3 0.2 1 178 17 17 LYS N N 115.0 0.2 1 179 18 18 THR H H 8.33 0.02 1 180 18 18 THR HA H 4.43 0.02 1 181 18 18 THR HB H 4.47 0.02 1 182 18 18 THR HG2 H 1.29 0.02 1 183 18 18 THR C C 174.8 0.2 1 184 18 18 THR CA C 61.1 0.2 1 185 18 18 THR CB C 68.6 0.2 1 186 18 18 THR CG2 C 21.8 0.2 1 187 18 18 THR N N 119.9 0.2 1 188 19 19 ILE H H 8.13 0.02 1 189 19 19 ILE HA H 3.78 0.02 1 190 19 19 ILE HB H 1.85 0.02 1 191 19 19 ILE HG12 H 1.32 0.02 2 192 19 19 ILE HG13 H 1.55 0.02 2 193 19 19 ILE HG2 H 0.90 0.02 1 194 19 19 ILE HD1 H 0.92 0.02 1 195 19 19 ILE C C 178.7 0.2 1 196 19 19 ILE CA C 63.1 0.2 1 197 19 19 ILE CB C 36.9 0.2 1 198 19 19 ILE CG1 C 28.1 0.2 1 199 19 19 ILE CG2 C 17.2 0.2 1 200 19 19 ILE CD1 C 11.6 0.2 1 201 19 19 ILE N N 126.3 0.2 1 202 20 20 GLY H H 8.92 0.02 1 203 20 20 GLY HA2 H 4.15 0.02 2 204 20 20 GLY HA3 H 3.79 0.02 2 205 20 20 GLY C C 174.5 0.2 1 206 20 20 GLY CA C 46.3 0.2 1 207 20 20 GLY N N 116.1 0.2 1 208 21 21 PHE H H 7.66 0.02 1 209 21 21 PHE HA H 4.00 0.02 1 210 21 21 PHE HB2 H 3.12 0.02 2 211 21 21 PHE HB3 H 3.04 0.02 2 212 21 21 PHE HD1 H 6.87 0.02 3 213 21 21 PHE HE1 H 6.53 0.02 3 214 21 21 PHE HZ H 6.63 0.02 1 215 21 21 PHE C C 177.2 0.2 1 216 21 21 PHE CA C 62.4 0.2 1 217 21 21 PHE CB C 40.9 0.2 1 218 21 21 PHE CD1 C 131.1 0.2 3 219 21 21 PHE CE1 C 130.6 0.2 3 220 21 21 PHE N N 122.8 0.2 1 221 22 22 HIS H H 9.42 0.02 1 222 22 22 HIS HA H 3.88 0.02 1 223 22 22 HIS HB2 H 3.22 0.02 2 224 22 22 HIS HB3 H 3.12 0.02 2 225 22 22 HIS C C 178.5 0.2 1 226 22 22 HIS CA C 60.7 0.2 1 227 22 22 HIS CB C 30.8 0.2 1 228 22 22 HIS N N 118.9 0.2 1 229 23 23 ASP H H 8.99 0.02 1 230 23 23 ASP HA H 4.08 0.02 1 231 23 23 ASP HB2 H 2.47 0.02 2 232 23 23 ASP C C 177.7 0.2 1 233 23 23 ASP CA C 57.6 0.2 1 234 23 23 ASP CB C 40.4 0.2 1 235 23 23 ASP N N 120.3 0.2 1 236 24 24 LYS H H 7.70 0.02 1 237 24 24 LYS HA H 3.65 0.02 1 238 24 24 LYS HB2 H 0.94 0.02 2 239 24 24 LYS HB3 H 0.54 0.02 2 240 24 24 LYS HG2 H 0.60 0.02 2 241 24 24 LYS HG3 H 1.00 0.02 2 242 24 24 LYS HD2 H 1.23 0.02 2 243 24 24 LYS HE2 H 2.72 0.02 2 244 24 24 LYS C C 178.4 0.2 1 245 24 24 LYS CA C 58.9 0.2 1 246 24 24 LYS CB C 32.6 0.2 1 247 24 24 LYS CG C 25.4 0.2 1 248 24 24 LYS CD C 29.6 0.2 1 249 24 24 LYS CE C 42.4 0.2 1 250 24 24 LYS N N 116.8 0.2 1 251 25 25 TYR H H 7.33 0.02 1 252 25 25 TYR HA H 4.72 0.02 1 253 25 25 TYR HB2 H 2.51 0.02 2 254 25 25 TYR HB3 H 1.81 0.02 2 255 25 25 TYR HD1 H 6.23 0.02 3 256 25 25 TYR HE1 H 6.68 0.02 3 257 25 25 TYR C C 175.6 0.2 1 258 25 25 TYR CA C 57.9 0.2 1 259 25 25 TYR CB C 41.2 0.2 1 260 25 25 TYR CD1 C 133.7 0.2 3 261 25 25 TYR CE1 C 117.5 0.2 3 262 25 25 TYR N N 112.5 0.2 1 263 26 26 ILE H H 7.62 0.02 1 264 26 26 ILE HA H 4.06 0.02 1 265 26 26 ILE HB H 1.48 0.02 1 266 26 26 ILE HG12 H 1.36 0.02 2 267 26 26 ILE HG13 H 0.81 0.02 2 268 26 26 ILE HG2 H 0.68 0.02 1 269 26 26 ILE HD1 H 0.68 0.02 1 270 26 26 ILE C C 177.0 0.2 1 271 26 26 ILE CA C 61.1 0.2 1 272 26 26 ILE CB C 37.8 0.2 1 273 26 26 ILE CG1 C 27.5 0.2 1 274 26 26 ILE CG2 C 18.7 0.2 1 275 26 26 ILE CD1 C 12.9 0.2 1 276 26 26 ILE N N 115.7 0.2 1 277 27 27 LYS H H 7.50 0.02 1 278 27 27 LYS HA H 3.49 0.02 1 279 27 27 LYS HB2 H 1.51 0.02 2 280 27 27 LYS HG2 H 1.32 0.02 2 281 27 27 LYS HD2 H 1.65 0.02 2 282 27 27 LYS HE2 H 2.97 0.02 2 283 27 27 LYS C C 177.9 0.2 1 284 27 27 LYS CA C 60.4 0.2 1 285 27 27 LYS CB C 32.8 0.2 1 286 27 27 LYS CG C 23.5 0.2 1 287 27 27 LYS CD C 29.6 0.2 1 288 27 27 LYS CE C 41.7 0.2 1 289 27 27 LYS N N 119.8 0.2 1 290 28 28 ASP H H 8.39 0.02 1 291 28 28 ASP HA H 4.72 0.02 1 292 28 28 ASP HB2 H 2.79 0.02 2 293 28 28 ASP HB3 H 2.39 0.02 2 294 28 28 ASP C C 177.0 0.2 1 295 28 28 ASP CA C 54.5 0.2 1 296 28 28 ASP CB C 40.8 0.2 1 297 28 28 ASP N N 116.1 0.2 1 298 29 29 ILE H H 7.67 0.02 1 299 29 29 ILE HA H 3.95 0.02 1 300 29 29 ILE HB H 1.90 0.02 1 301 29 29 ILE HG12 H 1.95 0.02 2 302 29 29 ILE HG13 H 1.35 0.02 2 303 29 29 ILE HG2 H 1.20 0.02 1 304 29 29 ILE HD1 H 1.11 0.02 1 305 29 29 ILE C C 177.3 0.2 1 306 29 29 ILE CA C 64.6 0.2 1 307 29 29 ILE CB C 38.7 0.2 1 308 29 29 ILE CG1 C 27.9 0.2 1 309 29 29 ILE CG2 C 18.8 0.2 1 310 29 29 ILE CD1 C 15.4 0.2 1 311 29 29 ILE N N 120.5 0.2 1 312 30 30 ASN H H 8.95 0.02 1 313 30 30 ASN HA H 5.08 0.02 1 314 30 30 ASN HB2 H 2.92 0.02 2 315 30 30 ASN HB3 H 2.75 0.02 2 316 30 30 ASN C C 174.0 0.2 1 317 30 30 ASN CA C 53.3 0.2 1 318 30 30 ASN CB C 40.6 0.2 1 319 30 30 ASN N N 124.2 0.2 1 320 31 31 ARG H H 8.16 0.02 1 321 31 31 ARG HA H 4.55 0.02 1 322 31 31 ARG HB2 H 1.51 0.02 2 323 31 31 ARG HB3 H 1.33 0.02 2 324 31 31 ARG HG2 H 1.32 0.02 2 325 31 31 ARG HD2 H 2.93 0.02 2 326 31 31 ARG C C 172.7 0.2 1 327 31 31 ARG CA C 55.6 0.2 1 328 31 31 ARG CB C 31.3 0.2 1 329 31 31 ARG CG C 26.6 0.2 1 330 31 31 ARG CD C 43.2 0.2 1 331 31 31 ARG N N 121.8 0.2 1 332 32 32 PHE H H 7.37 0.02 1 333 32 32 PHE HA H 5.54 0.02 1 334 32 32 PHE HB2 H 2.46 0.02 2 335 32 32 PHE HB3 H 2.34 0.02 2 336 32 32 PHE HD1 H 6.08 0.02 3 337 32 32 PHE C C 180.2 0.2 1 338 32 32 PHE CA C 55.2 0.2 1 339 32 32 PHE CB C 42.1 0.2 1 340 32 32 PHE CD1 C 131.6 0.2 3 341 32 32 PHE N N 119.2 0.2 1 342 33 33 VAL H H 9.14 0.02 1 343 33 33 VAL HA H 4.09 0.02 1 344 33 33 VAL HB H 1.77 0.02 1 345 33 33 VAL HG1 H 0.69 0.02 2 346 33 33 VAL CA C 61.6 0.2 1 347 33 33 VAL CB C 35.7 0.2 1 348 33 33 VAL CG1 C 21.5 0.2 2 349 33 33 VAL N N 117.8 0.2 1 350 34 34 PHE H H 8.74 0.02 1 351 34 34 PHE HA H 5.78 0.02 1 352 34 34 PHE HB2 H 3.20 0.02 2 353 34 34 PHE HB3 H 2.72 0.02 2 354 34 34 PHE HD1 H 7.05 0.02 3 355 34 34 PHE C C 174.3 0.2 1 356 34 34 PHE CA C 55.0 0.2 1 357 34 34 PHE CB C 40.4 0.2 1 358 34 34 PHE CD1 C 132.5 0.2 3 359 34 34 PHE N N 127.4 0.2 1 360 35 35 LYS H H 8.34 0.02 1 361 35 35 LYS HA H 4.19 0.02 1 362 35 35 LYS HB2 H 1.45 0.02 2 363 35 35 LYS HG2 H 1.18 0.02 2 364 35 35 LYS HD2 H 1.43 0.02 2 365 35 35 LYS HE2 H 2.80 0.02 2 366 35 35 LYS C C 175.2 0.2 1 367 35 35 LYS CA C 55.1 0.2 1 368 35 35 LYS CB C 36.1 0.2 1 369 35 35 LYS CG C 24.9 0.2 1 370 35 35 LYS CD C 29.4 0.2 1 371 35 35 LYS CE C 41.9 0.2 1 372 35 35 LYS N N 127.0 0.2 1 373 36 36 ASN H H 9.08 0.02 1 374 36 36 ASN HA H 4.12 0.02 1 375 36 36 ASN HB2 H 2.89 0.02 2 376 36 36 ASN HB3 H 2.54 0.02 2 377 36 36 ASN CA C 54.2 0.2 1 378 36 36 ASN CB C 37.2 0.2 1 379 36 36 ASN N N 123.9 0.2 1 380 37 37 ASN H H 8.21 0.02 1 381 37 37 ASN HA H 3.77 0.02 1 382 37 37 ASN HB2 H 3.15 0.02 2 383 37 37 ASN HB3 H 3.00 0.02 2 384 37 37 ASN C C 172.9 0.2 1 385 37 37 ASN CA C 55.2 0.2 1 386 37 37 ASN CB C 37.2 0.2 1 387 37 37 ASN N N 105.8 0.2 1 388 38 38 VAL H H 7.62 0.02 1 389 38 38 VAL HA H 4.48 0.02 1 390 38 38 VAL HB H 2.03 0.02 1 391 38 38 VAL HG1 H 0.67 0.02 1 392 38 38 VAL HG2 H 0.78 0.02 1 393 38 38 VAL C C 174.0 0.2 1 394 38 38 VAL CA C 61.5 0.2 1 395 38 38 VAL CB C 34.2 0.2 1 396 38 38 VAL CG1 C 20.3 0.2 1 397 38 38 VAL CG2 C 21.0 0.2 1 398 38 38 VAL N N 121.8 0.2 1 399 39 39 LEU H H 8.15 0.02 1 400 39 39 LEU HA H 5.08 0.02 1 401 39 39 LEU HB2 H 1.64 0.02 2 402 39 39 LEU HB3 H 0.68 0.02 2 403 39 39 LEU HG H 1.04 0.02 1 404 39 39 LEU HD1 H 0.43 0.02 1 405 39 39 LEU HD2 H -0.19 0.02 1 406 39 39 LEU C C 173.0 0.2 1 407 39 39 LEU CA C 53.3 0.2 1 408 39 39 LEU CB C 44.8 0.2 1 409 39 39 LEU CG C 26.6 0.2 1 410 39 39 LEU CD1 C 22.4 0.2 1 411 39 39 LEU CD2 C 25.6 0.2 1 412 39 39 LEU N N 128.1 0.2 1 413 40 40 LEU H H 8.97 0.02 1 414 40 40 LEU HA H 4.97 0.02 1 415 40 40 LEU HB2 H 1.35 0.02 2 416 40 40 LEU HB3 H 1.51 0.02 2 417 40 40 LEU HG H 1.45 0.02 1 418 40 40 LEU HD1 H 0.67 0.02 1 419 40 40 LEU HD2 H 0.52 0.02 1 420 40 40 LEU C C 176.3 0.2 1 421 40 40 LEU CA C 53.3 0.2 1 422 40 40 LEU CB C 44.9 0.2 1 423 40 40 LEU CG C 26.8 0.2 1 424 40 40 LEU CD1 C 25.5 0.2 1 425 40 40 LEU CD2 C 25.5 0.2 1 426 40 40 LEU N N 130.3 0.2 1 427 41 41 ILE H H 8.52 0.02 1 428 41 41 ILE HA H 4.39 0.02 1 429 41 41 ILE HB H 1.08 0.02 1 430 41 41 ILE HG12 H 1.19 0.02 2 431 41 41 ILE HG13 H 0.72 0.02 2 432 41 41 ILE HG2 H 1.12 0.02 1 433 41 41 ILE HD1 H 0.39 0.02 1 434 41 41 ILE C C 174.0 0.2 1 435 41 41 ILE CA C 60.9 0.2 1 436 41 41 ILE CB C 41.5 0.2 1 437 41 41 ILE CG1 C 28.6 0.2 1 438 41 41 ILE CG2 C 20.3 0.2 1 439 41 41 ILE CD1 C 15.5 0.2 1 440 41 41 ILE N N 123.9 0.2 1 441 42 42 LEU H H 7.78 0.02 1 442 42 42 LEU HA H 4.56 0.02 1 443 42 42 LEU HB2 H 1.53 0.02 2 444 42 42 LEU HB3 H 0.08 0.02 2 445 42 42 LEU HG H 1.97 0.02 1 446 42 42 LEU HD1 H 0.44 0.02 1 447 42 42 LEU HD2 H 0.63 0.02 1 448 42 42 LEU C C 175.3 0.2 1 449 42 42 LEU CA C 55.6 0.2 1 450 42 42 LEU CB C 42.1 0.2 1 451 42 42 LEU CG C 28.6 0.2 1 452 42 42 LEU CD1 C 24.7 0.2 1 453 42 42 LEU CD2 C 24.7 0.2 1 454 42 42 LEU N N 130.7 0.2 1 455 43 43 LEU H H 9.11 0.02 1 456 43 43 LEU HA H 4.54 0.02 1 457 43 43 LEU HB2 H 1.55 0.02 2 458 43 43 LEU HB3 H 1.77 0.02 2 459 43 43 LEU HG H 1.46 0.02 1 460 43 43 LEU HD1 H 0.84 0.02 1 461 43 43 LEU HD2 H 0.65 0.02 1 462 43 43 LEU C C 174.8 0.2 1 463 43 43 LEU CA C 54.6 0.2 1 464 43 43 LEU CB C 45.3 0.2 1 465 43 43 LEU CG C 28.3 0.2 1 466 43 43 LEU CD1 C 24.6 0.2 1 467 43 43 LEU CD2 C 27.3 0.2 1 468 43 43 LEU N N 131.0 0.2 1 469 44 44 GLU H H 9.10 0.02 1 470 44 44 GLU HA H 3.88 0.02 1 471 44 44 GLU HB2 H 2.03 0.02 2 472 44 44 GLU HG2 H 2.27 0.02 2 473 44 44 GLU C C 177.4 0.2 1 474 44 44 GLU CA C 59.7 0.2 1 475 44 44 GLU CB C 30.1 0.2 1 476 44 44 GLU CG C 36.2 0.2 1 477 44 44 GLU N N 127.8 0.2 1 478 45 45 ASN H H 7.60 0.02 1 479 45 45 ASN HA H 4.40 0.02 1 480 45 45 ASN HB2 H 2.85 0.02 2 481 45 45 ASN HB3 H 2.18 0.02 2 482 45 45 ASN C C 175.0 0.2 1 483 45 45 ASN CA C 55.8 0.2 1 484 45 45 ASN CB C 40.5 0.2 1 485 45 45 ASN N N 118.3 0.2 1 486 46 46 GLU H H 8.80 0.02 1 487 46 46 GLU HA H 3.56 0.02 1 488 46 46 GLU HB2 H 1.93 0.02 2 489 46 46 GLU HB3 H 2.10 0.02 2 490 46 46 GLU HG2 H 2.15 0.02 2 491 46 46 GLU C C 176.5 0.2 1 492 46 46 GLU CA C 60.5 0.2 1 493 46 46 GLU CB C 30.5 0.2 1 494 46 46 GLU CG C 36.1 0.2 1 495 46 46 GLU N N 129.6 0.2 1 496 47 47 PHE H H 7.87 0.02 1 497 47 47 PHE HA H 4.06 0.02 1 498 47 47 PHE HB2 H 3.21 0.02 2 499 47 47 PHE HB3 H 3.09 0.02 2 500 47 47 PHE HD1 H 6.99 0.02 3 501 47 47 PHE C C 178.9 0.2 1 502 47 47 PHE CA C 60.8 0.2 1 503 47 47 PHE CB C 38.2 0.2 1 504 47 47 PHE N N 120.4 0.2 1 505 48 48 ALA H H 8.68 0.02 1 506 48 48 ALA HA H 3.15 0.02 1 507 48 48 ALA HB H 0.41 0.02 1 508 48 48 ALA C C 178.4 0.2 1 509 48 48 ALA CA C 54.8 0.2 1 510 48 48 ALA CB C 18.1 0.2 1 511 48 48 ALA N N 123.5 0.2 1 512 49 49 ARG H H 8.10 0.02 1 513 49 49 ARG HA H 3.46 0.02 1 514 49 49 ARG HB2 H 1.78 0.02 2 515 49 49 ARG HG2 H 1.55 0.02 2 516 49 49 ARG HD2 H 3.29 0.02 2 517 49 49 ARG C C 177.4 0.2 1 518 49 49 ARG CA C 60.9 0.2 1 519 49 49 ARG CB C 30.6 0.2 1 520 49 49 ARG CG C 28.6 0.2 1 521 49 49 ARG CD C 43.7 0.2 1 522 49 49 ARG N N 117.5 0.2 1 523 50 50 ASN H H 8.32 0.02 1 524 50 50 ASN HA H 4.35 0.02 1 525 50 50 ASN HB2 H 2.76 0.02 2 526 50 50 ASN C C 177.6 0.2 1 527 50 50 ASN CA C 55.6 0.2 1 528 50 50 ASN CB C 37.4 0.2 1 529 50 50 ASN N N 116.4 0.2 1 530 51 51 SER H H 7.43 0.02 1 531 51 51 SER HA H 4.02 0.02 1 532 51 51 SER HB2 H 3.63 0.02 2 533 51 51 SER HB3 H 3.52 0.02 2 534 51 51 SER CA C 61.9 0.2 1 535 51 51 SER CB C 63.1 0.2 1 536 51 51 SER N N 114.0 0.2 1 537 52 52 LEU H H 7.97 0.02 1 538 52 52 LEU HA H 3.90 0.02 1 539 52 52 LEU HB2 H 0.46 0.02 2 540 52 52 LEU HB3 H 0.86 0.02 2 541 52 52 LEU HG H 1.28 0.02 1 542 52 52 LEU HD1 H -0.15 0.02 1 543 52 52 LEU HD2 H 0.68 0.02 1 544 52 52 LEU C C 179.5 0.2 1 545 52 52 LEU CA C 58.1 0.2 1 546 52 52 LEU CB C 41.9 0.2 1 547 52 52 LEU CG C 27.4 0.2 1 548 52 52 LEU CD1 C 25.3 0.2 1 549 52 52 LEU CD2 C 24.0 0.2 1 550 52 52 LEU N N 122.1 0.2 1 551 53 53 ASN H H 8.42 0.02 1 552 53 53 ASN HA H 4.80 0.02 1 553 53 53 ASN HB2 H 2.85 0.02 2 554 53 53 ASN CA C 54.9 0.2 1 555 53 53 ASN CB C 38.1 0.2 1 556 53 53 ASN N N 116.1 0.2 1 557 54 54 ASP H H 7.61 0.02 1 558 54 54 ASP HA H 4.70 0.02 1 559 54 54 ASP HB2 H 2.70 0.02 2 560 54 54 ASP HB3 H 2.75 0.02 2 561 54 54 ASP C C 175.3 0.2 1 562 54 54 ASP CA C 54.6 0.2 1 563 54 54 ASP CB C 41.3 0.2 1 564 54 54 ASP N N 117.6 0.2 1 565 55 55 ASN H H 7.31 0.02 1 566 55 55 ASN HA H 4.79 0.02 1 567 55 55 ASN HB2 H 2.68 0.02 2 568 55 55 ASN HB3 H 3.38 0.02 2 569 55 55 ASN C C 176.7 0.2 1 570 55 55 ASN CA C 52.4 0.2 1 571 55 55 ASN CB C 38.3 0.2 1 572 55 55 ASN N N 118.3 0.2 1 573 56 56 SER H H 8.81 0.02 1 574 56 56 SER HA H 4.21 0.02 1 575 56 56 SER HB2 H 4.02 0.02 2 576 56 56 SER CA C 60.8 0.2 1 577 56 56 SER CB C 63.5 0.2 1 578 56 56 SER N N 122.8 0.2 1 579 57 57 GLU H H 8.13 0.02 1 580 57 57 GLU HA H 4.33 0.02 1 581 57 57 GLU HB2 H 1.89 0.02 2 582 57 57 GLU HG2 H 2.25 0.02 2 583 57 57 GLU HG3 H 2.32 0.02 2 584 57 57 GLU C C 179.0 0.2 1 585 57 57 GLU CA C 56.9 0.2 1 586 57 57 GLU CB C 30.2 0.2 1 587 57 57 GLU CG C 36.1 0.2 1 588 57 57 GLU N N 118.2 0.2 1 589 58 58 ILE H H 7.29 0.02 1 590 58 58 ILE HA H 3.44 0.02 1 591 58 58 ILE HB H 2.41 0.02 1 592 58 58 ILE HG12 H 1.68 0.02 2 593 58 58 ILE HG13 H 1.39 0.02 2 594 58 58 ILE HG2 H 1.19 0.02 1 595 58 58 ILE HD1 H 0.82 0.02 1 596 58 58 ILE C C 179.0 0.2 1 597 58 58 ILE CA C 65.1 0.2 1 598 58 58 ILE CB C 35.1 0.2 1 599 58 58 ILE CG1 C 28.3 0.2 1 600 58 58 ILE CG2 C 18.4 0.2 1 601 58 58 ILE CD1 C 11.6 0.2 1 602 58 58 ILE N N 118.8 0.2 1 603 59 59 ILE H H 8.51 0.02 1 604 59 59 ILE HA H 3.95 0.02 1 605 59 59 ILE HB H 1.87 0.02 1 606 59 59 ILE HG12 H 1.12 0.02 2 607 59 59 ILE HG13 H 1.28 0.02 2 608 59 59 ILE HG2 H 0.55 0.02 1 609 59 59 ILE HD1 H 0.72 0.02 1 610 59 59 ILE C C 175.8 0.2 1 611 59 59 ILE CA C 62.0 0.2 1 612 59 59 ILE CB C 37.0 0.2 1 613 59 59 ILE CG1 C 29.1 0.2 1 614 59 59 ILE CG2 C 17.3 0.2 1 615 59 59 ILE CD1 C 14.7 0.2 1 616 59 59 ILE N N 119.1 0.2 1 617 60 60 HIS H H 6.75 0.02 1 618 60 60 HIS HA H 4.88 0.02 1 619 60 60 HIS HB2 H 3.33 0.02 2 620 60 60 HIS C C 178.4 0.2 1 621 60 60 HIS CA C 57.0 0.2 1 622 60 60 HIS CB C 27.4 0.2 1 623 60 60 HIS N N 119.4 0.2 1 624 61 61 LEU H H 7.74 0.02 1 625 61 61 LEU HA H 4.20 0.02 1 626 61 61 LEU HB2 H 2.23 0.02 2 627 61 61 LEU HB3 H 1.43 0.02 2 628 61 61 LEU HG H 1.89 0.02 1 629 61 61 LEU HD1 H 0.46 0.02 1 630 61 61 LEU HD2 H 0.83 0.02 1 631 61 61 LEU C C 179.7 0.2 1 632 61 61 LEU CA C 57.6 0.2 1 633 61 61 LEU CB C 41.3 0.2 1 634 61 61 LEU CG C 27.0 0.2 1 635 61 61 LEU CD1 C 24.9 0.2 1 636 61 61 LEU CD2 C 22.6 0.2 1 637 61 61 LEU N N 119.9 0.2 1 638 62 62 ALA H H 8.37 0.02 1 639 62 62 ALA HA H 3.87 0.02 1 640 62 62 ALA HB H 1.20 0.02 1 641 62 62 ALA C C 179.9 0.2 1 642 62 62 ALA CA C 55.4 0.2 1 643 62 62 ALA CB C 18.5 0.2 1 644 62 62 ALA N N 121.0 0.2 1 645 63 63 GLU H H 8.56 0.02 1 646 63 63 GLU HA H 4.05 0.02 1 647 63 63 GLU HB2 H 1.96 0.02 2 648 63 63 GLU HG2 H 2.33 0.02 2 649 63 63 GLU HG3 H 2.43 0.02 2 650 63 63 GLU C C 177.2 0.2 1 651 63 63 GLU CA C 58.5 0.2 1 652 63 63 GLU CB C 29.8 0.2 1 653 63 63 GLU CG C 36.9 0.2 1 654 63 63 GLU N N 118.9 0.2 1 655 64 64 SER H H 7.22 0.02 1 656 64 64 SER HA H 4.26 0.02 1 657 64 64 SER HB2 H 3.97 0.02 2 658 64 64 SER C C 174.1 0.2 1 659 64 64 SER CA C 60.7 0.2 1 660 64 64 SER CB C 63.8 0.2 1 661 64 64 SER N N 111.8 0.2 1 662 65 65 LEU H H 7.21 0.02 1 663 65 65 LEU HA H 4.38 0.02 1 664 65 65 LEU HB2 H 1.48 0.02 2 665 65 65 LEU HB3 H 0.95 0.02 2 666 65 65 LEU HG H 1.56 0.02 1 667 65 65 LEU HD1 H 0.75 0.02 1 668 65 65 LEU HD2 H 0.85 0.02 1 669 65 65 LEU C C 176.3 0.2 1 670 65 65 LEU CA C 55.2 0.2 1 671 65 65 LEU CB C 46.9 0.2 1 672 65 65 LEU CG C 27.0 0.2 1 673 65 65 LEU CD1 C 23.3 0.2 1 674 65 65 LEU CD2 C 26.9 0.2 1 675 65 65 LEU N N 120.6 0.2 1 676 66 66 TYR H H 8.07 0.02 1 677 66 66 TYR HA H 4.06 0.02 1 678 66 66 TYR HB2 H 2.31 0.02 2 679 66 66 TYR HB3 H 2.04 0.02 2 680 66 66 TYR HD1 H 6.18 0.02 3 681 66 66 TYR HE1 H 6.05 0.02 3 682 66 66 TYR CA C 56.6 0.2 1 683 66 66 TYR CB C 38.6 0.2 1 684 66 66 TYR CD1 C 133.0 0.2 3 685 66 66 TYR CE1 C 117.2 0.2 3 686 66 66 TYR N N 120.6 0.2 1 687 67 67 GLU H H 8.29 0.02 1 688 67 67 GLU HA H 4.05 0.02 1 689 67 67 GLU HB2 H 1.94 0.02 2 690 67 67 GLU HG2 H 2.23 0.02 2 691 67 67 GLU C C 178.5 0.2 1 692 67 67 GLU CA C 58.0 0.2 1 693 67 67 GLU CB C 29.4 0.2 1 694 67 67 GLU CG C 36.2 0.2 1 695 67 67 GLU N N 124.7 0.2 1 696 68 68 GLY H H 8.96 0.02 1 697 68 68 GLY HA2 H 3.70 0.02 2 698 68 68 GLY HA3 H 4.09 0.02 2 699 68 68 GLY C C 174.6 0.2 1 700 68 68 GLY CA C 45.5 0.2 1 701 68 68 GLY N N 114.0 0.2 1 702 69 69 ILE H H 7.36 0.02 1 703 69 69 ILE HA H 3.90 0.02 1 704 69 69 ILE HB H 1.75 0.02 1 705 69 69 ILE HG12 H 1.56 0.02 2 706 69 69 ILE HG13 H 0.85 0.02 2 707 69 69 ILE HG2 H 0.85 0.02 1 708 69 69 ILE HD1 H 0.42 0.02 1 709 69 69 ILE C C 176.7 0.2 1 710 69 69 ILE CA C 62.4 0.2 1 711 69 69 ILE CB C 38.4 0.2 1 712 69 69 ILE CG1 C 30.1 0.2 1 713 69 69 ILE CG2 C 16.6 0.2 1 714 69 69 ILE CD1 C 16.0 0.2 1 715 69 69 ILE N N 118.3 0.2 1 716 70 70 LYS H H 9.48 0.02 1 717 70 70 LYS HA H 4.47 0.02 1 718 70 70 LYS HB2 H 1.75 0.02 2 719 70 70 LYS HB3 H 1.65 0.02 2 720 70 70 LYS HG2 H 1.48 0.02 2 721 70 70 LYS HG3 H 1.42 0.02 2 722 70 70 LYS HD2 H 1.63 0.02 2 723 70 70 LYS HE2 H 2.92 0.02 2 724 70 70 LYS C C 176.9 0.2 1 725 70 70 LYS CA C 55.9 0.2 1 726 70 70 LYS CB C 35.0 0.2 1 727 70 70 LYS CG C 24.6 0.2 1 728 70 70 LYS CD C 28.8 0.2 1 729 70 70 LYS CE C 42.3 0.2 1 730 70 70 LYS N N 124.0 0.2 1 731 71 71 SER H H 7.30 0.02 1 732 71 71 SER HA H 4.52 0.02 1 733 71 71 SER HB2 H 3.73 0.02 2 734 71 71 SER C C 171.7 0.2 1 735 71 71 SER CA C 57.9 0.2 1 736 71 71 SER CB C 65.4 0.2 1 737 71 71 SER N N 111.4 0.2 1 738 72 72 VAL H H 8.38 0.02 1 739 72 72 VAL HA H 4.79 0.02 1 740 72 72 VAL HB H 1.82 0.02 1 741 72 72 VAL HG1 H 0.63 0.02 1 742 72 72 VAL HG2 H 0.68 0.02 1 743 72 72 VAL C C 174.3 0.2 1 744 72 72 VAL CA C 60.1 0.2 1 745 72 72 VAL CB C 34.3 0.2 1 746 72 72 VAL CG1 C 21.9 0.2 1 747 72 72 VAL CG2 C 21.4 0.2 1 748 72 72 VAL N N 123.2 0.2 1 749 73 73 ASN H H 8.78 0.02 1 750 73 73 ASN HA H 5.02 0.02 1 751 73 73 ASN HB2 H 2.53 0.02 2 752 73 73 ASN HB3 H 2.35 0.02 2 753 73 73 ASN C C 172.9 0.2 1 754 73 73 ASN CA C 52.4 0.2 1 755 73 73 ASN CB C 41.3 0.2 1 756 73 73 ASN N N 125.7 0.2 1 757 74 74 PHE H H 9.37 0.02 1 758 74 74 PHE HA H 5.37 0.02 1 759 74 74 PHE HB2 H 3.14 0.02 2 760 74 74 PHE HB3 H 2.64 0.02 2 761 74 74 PHE HD1 H 7.27 0.02 3 762 74 74 PHE CA C 57.3 0.2 1 763 74 74 PHE CB C 39.3 0.2 1 764 74 74 PHE CD1 C 133.4 0.2 3 765 74 74 PHE N N 126.5 0.2 1 766 75 75 VAL H H 9.27 0.02 1 767 75 75 VAL HA H 4.92 0.02 1 768 75 75 VAL HB H 2.46 0.02 1 769 75 75 VAL HG1 H 0.78 0.02 1 770 75 75 VAL HG2 H 0.86 0.02 1 771 75 75 VAL C C 174.3 0.2 1 772 75 75 VAL CA C 59.1 0.2 1 773 75 75 VAL CB C 36.9 0.2 1 774 75 75 VAL CG1 C 22.9 0.2 1 775 75 75 VAL CG2 C 19.8 0.2 1 776 75 75 VAL N N 116.4 0.2 1 777 76 76 ASN H H 8.83 0.02 1 778 76 76 ASN HA H 4.30 0.02 1 779 76 76 ASN HB2 H 3.58 0.02 2 780 76 76 ASN HB3 H 2.51 0.02 2 781 76 76 ASN C C 174.5 0.2 1 782 76 76 ASN CA C 51.3 0.2 1 783 76 76 ASN CB C 37.9 0.2 1 784 76 76 ASN N N 118.2 0.2 1 785 77 77 GLU H H 9.15 0.02 1 786 77 77 GLU HA H 3.72 0.02 1 787 77 77 GLU HB2 H 2.05 0.02 2 788 77 77 GLU HG2 H 2.22 0.02 2 789 77 77 GLU C C 178.0 0.2 1 790 77 77 GLU CA C 60.9 0.2 1 791 77 77 GLU CB C 30.1 0.2 1 792 77 77 GLU CG C 36.9 0.2 1 793 77 77 GLU N N 118.9 0.2 1 794 78 78 GLN H H 8.19 0.02 1 795 78 78 GLN HA H 4.09 0.02 1 796 78 78 GLN HB2 H 1.97 0.02 2 797 78 78 GLN HB3 H 2.03 0.02 2 798 78 78 GLN HG2 H 2.32 0.02 2 799 78 78 GLN C C 179.5 0.2 1 800 78 78 GLN CA C 59.5 0.2 1 801 78 78 GLN CB C 28.4 0.2 1 802 78 78 GLN N N 118.2 0.2 1 803 79 79 ASP H H 8.78 0.02 1 804 79 79 ASP HA H 4.62 0.02 1 805 79 79 ASP HB2 H 2.77 0.02 2 806 79 79 ASP HB3 H 2.34 0.02 2 807 79 79 ASP CA C 56.9 0.2 1 808 79 79 ASP CB C 39.7 0.2 1 809 79 79 ASP N N 120.0 0.2 1 810 80 80 PHE H H 9.19 0.02 1 811 80 80 PHE HA H 3.78 0.02 1 812 80 80 PHE HB2 H 2.95 0.02 2 813 80 80 PHE HD1 H 6.15 0.02 3 814 80 80 PHE C C 176.7 0.2 1 815 80 80 PHE CA C 63.3 0.2 1 816 80 80 PHE CB C 39.1 0.2 1 817 80 80 PHE CD1 C 131.6 0.2 3 818 80 80 PHE N N 126.0 0.2 1 819 81 81 PHE H H 8.08 0.02 1 820 81 81 PHE HA H 4.13 0.02 1 821 81 81 PHE HB2 H 3.25 0.02 2 822 81 81 PHE HB3 H 3.04 0.02 2 823 81 81 PHE HD1 H 7.48 0.02 3 824 81 81 PHE C C 179.2 0.2 1 825 81 81 PHE CA C 62.3 0.2 1 826 81 81 PHE CB C 38.3 0.2 1 827 81 81 PHE CD1 C 132.0 0.2 3 828 81 81 PHE N N 115.8 0.2 1 829 82 82 PHE H H 8.21 0.02 1 830 82 82 PHE HA H 4.35 0.02 1 831 82 82 PHE HB2 H 3.32 0.02 2 832 82 82 PHE HB3 H 3.10 0.02 2 833 82 82 PHE HD1 H 7.19 0.02 3 834 82 82 PHE C C 177.9 0.2 1 835 82 82 PHE CA C 61.1 0.2 1 836 82 82 PHE CB C 39.4 0.2 1 837 82 82 PHE CD1 C 132.0 0.2 3 838 82 82 PHE N N 121.1 0.2 1 839 83 83 ASN H H 8.21 0.02 1 840 83 83 ASN HA H 4.10 0.02 1 841 83 83 ASN HB2 H 2.68 0.02 2 842 83 83 ASN HB3 H 2.25 0.02 2 843 83 83 ASN CA C 56.8 0.2 1 844 83 83 ASN CB C 39.8 0.2 1 845 83 83 ASN N N 117.1 0.2 1 846 84 84 LEU H H 8.25 0.02 1 847 84 84 LEU HA H 3.65 0.02 1 848 84 84 LEU HB2 H 1.15 0.02 2 849 84 84 LEU HB3 H 1.46 0.02 2 850 84 84 LEU HG H 1.30 0.02 1 851 84 84 LEU HD1 H 0.56 0.02 2 852 84 84 LEU HD2 H 0.66 0.02 2 853 84 84 LEU C C 178.5 0.2 1 854 84 84 LEU CA C 58.1 0.2 1 855 84 84 LEU CB C 41.9 0.2 1 856 84 84 LEU CG C 26.4 0.2 1 857 84 84 LEU CD1 C 24.0 0.2 2 858 84 84 LEU CD2 C 24.6 0.2 2 859 84 84 LEU N N 121.2 0.2 1 860 85 85 ALA H H 7.30 0.02 1 861 85 85 ALA HA H 4.02 0.02 1 862 85 85 ALA HB H 1.32 0.02 1 863 85 85 ALA C C 180.0 0.2 1 864 85 85 ALA CA C 54.5 0.2 1 865 85 85 ALA CB C 17.7 0.2 1 866 85 85 ALA N N 119.6 0.2 1 867 86 86 LYS H H 7.20 0.02 1 868 86 86 LYS HA H 3.96 0.02 1 869 86 86 LYS HB2 H 1.62 0.02 2 870 86 86 LYS HB3 H 1.67 0.02 2 871 86 86 LYS HG2 H 1.22 24.3 2 872 86 86 LYS HD2 H 1.42 0.02 2 873 86 86 LYS HD3 H 1.48 0.02 2 874 86 86 LYS CA C 58.0 0.2 1 875 86 86 LYS CB C 32.1 0.2 1 876 86 86 LYS CG C 24.3 0.2 1 877 86 86 LYS CD C 28.6 0.2 1 878 86 86 LYS N N 117.5 0.2 1 879 87 87 LEU H H 7.84 0.02 1 880 87 87 LEU HA H 4.07 0.02 1 881 87 87 LEU HB2 H 1.66 0.02 2 882 87 87 LEU HG H 1.68 0.02 1 883 87 87 LEU HD1 H 0.65 0.02 1 884 87 87 LEU HD2 H 0.72 0.02 1 885 87 87 LEU CA C 56.6 0.2 1 886 87 87 LEU CB C 42.2 0.2 1 887 87 87 LEU CG C 26.6 0.2 1 888 87 87 LEU CD1 C 25.5 0.2 1 889 87 87 LEU CD2 C 22.4 0.2 1 890 87 87 LEU N N 119.7 0.2 1 891 88 88 GLU H H 7.76 0.02 1 892 88 88 GLU HA H 4.04 0.02 1 893 88 88 GLU HB2 H 1.97 0.02 2 894 88 88 GLU HB3 H 1.95 0.02 2 895 88 88 GLU C C 177.6 0.2 1 896 88 88 GLU CA C 57.5 0.2 1 897 88 88 GLU CB C 29.9 0.2 1 898 88 88 GLU N N 118.5 0.2 1 899 89 89 GLU H H 7.86 0.02 1 900 89 89 GLU HA H 4.04 0.02 1 901 89 89 GLU HB2 H 1.96 0.02 2 902 89 89 GLU C C 177.1 0.2 1 903 89 89 GLU CA C 57.8 0.2 1 904 89 89 GLU CB C 29.9 0.2 1 905 89 89 GLU N N 120.6 0.2 1 906 90 90 ASN H H 8.23 0.02 1 907 90 90 ASN HA H 4.62 0.02 1 908 90 90 ASN HB2 H 2.82 0.02 2 909 90 90 ASN HB3 H 2.71 0.02 2 910 90 90 ASN C C 175.8 0.2 1 911 90 90 ASN CA C 53.7 0.2 1 912 90 90 ASN CB C 39.0 0.2 1 913 90 90 ASN N N 118.0 0.2 1 914 91 91 SER H H 8.02 0.02 1 915 91 91 SER HA H 4.33 0.02 1 916 91 91 SER HB2 H 3.82 0.02 2 917 91 91 SER HB3 H 3.78 0.02 2 918 91 91 SER C C 175.0 0.2 1 919 91 91 SER CA C 59.0 0.2 1 920 91 91 SER CB C 64.0 0.2 1 921 91 91 SER N N 115.7 0.2 1 922 92 92 ARG H H 8.13 0.02 1 923 92 92 ARG HA H 4.26 0.02 1 924 92 92 ARG HB2 H 1.67 0.02 2 925 92 92 ARG HG2 H 1.56 0.02 2 926 92 92 ARG HD2 H 3.12 0.02 2 927 92 92 ARG C C 176.4 0.2 1 928 92 92 ARG CA C 56.7 0.2 1 929 92 92 ARG CB C 30.6 0.2 1 930 92 92 ARG CG C 27.4 0.2 1 931 92 92 ARG CD C 43.6 0.2 1 932 92 92 ARG N N 122.5 0.2 1 933 93 93 ASP H H 8.17 0.02 1 934 93 93 ASP HA H 4.62 0.02 1 935 93 93 ASP HB2 H 2.55 0.02 2 936 93 93 ASP HB3 H 2.63 0.02 2 937 93 93 ASP C C 176.9 0.2 1 938 93 93 ASP CA C 56.9 0.2 1 939 93 93 ASP CB C 41.2 0.2 1 940 93 93 ASP N N 120.5 0.2 1 941 94 94 THR H H 7.91 0.02 1 942 94 94 THR HA H 4.22 0.02 1 943 94 94 THR HB H 4.15 0.02 1 944 94 94 THR HG2 H 1.06 0.02 1 945 94 94 THR CA C 62.5 0.2 1 946 94 94 THR CB C 69.9 0.2 1 947 94 94 THR CG2 C 21.6 0.2 1 948 94 94 THR N N 113.9 0.2 1 949 95 95 LEU H H 8.03 0.02 1 950 95 95 LEU HA H 4.22 0.02 1 951 95 95 LEU HB2 H 1.45 0.02 2 952 95 95 LEU HB3 H 1.39 0.02 2 953 95 95 LEU HG H 1.40 0.02 1 954 95 95 LEU HD1 H 0.78 0.02 1 955 95 95 LEU HD2 H 0.82 0.02 1 956 95 95 LEU C C 177.4 0.2 1 957 95 95 LEU CA C 55.7 0.2 1 958 95 95 LEU CB C 42.3 0.2 1 959 95 95 LEU CG C 27.0 0.2 1 960 95 95 LEU CD1 C 23.5 0.2 1 961 95 95 LEU CD2 C 24.7 0.2 1 962 95 95 LEU N N 123.8 0.2 1 963 96 96 TYR H H 8.02 0.02 1 964 96 96 TYR HA H 4.49 0.02 1 965 96 96 TYR HB2 H 3.00 0.02 2 966 96 96 TYR HB3 H 2.85 0.02 2 967 96 96 TYR HD1 H 7.08 0.02 3 968 96 96 TYR HE1 H 6.85 0.02 3 969 96 96 TYR C C 175.8 0.2 1 970 96 96 TYR CA C 57.9 0.2 1 971 96 96 TYR CB C 38.5 0.2 1 972 96 96 TYR CD1 C 133.7 0.2 3 973 96 96 TYR CE1 C 118.8 0.2 3 974 96 96 TYR N N 119.9 0.2 1 975 97 97 GLN H H 8.07 0.02 1 976 97 97 GLN HA H 4.25 0.02 1 977 97 97 GLN HB2 H 1.95 0.02 2 978 97 97 GLN HB3 H 1.83 0.02 2 979 97 97 GLN HG2 H 2.22 0.02 2 980 97 97 GLN CA C 55.8 0.2 1 981 97 97 GLN CB C 29.5 0.2 1 982 97 97 GLN CG C 33.9 0.2 1 983 97 97 GLN N N 121.5 0.2 1 984 98 98 ASN H H 8.34 0.02 1 985 98 98 ASN HA H 4.70 0.02 1 986 98 98 ASN HB2 H 2.75 0.02 2 987 98 98 ASN HB3 H 2.85 0.02 2 988 98 98 ASN C C 174.9 0.2 1 989 98 98 ASN CA C 53.3 0.2 1 990 98 98 ASN CB C 39.2 0.2 1 991 98 98 ASN N N 119.9 0.2 1 992 99 99 SER H H 8.26 0.02 1 993 99 99 SER HA H 4.42 0.02 1 994 99 99 SER HB2 H 3.84 0.02 2 995 99 99 SER C C 174.2 0.2 1 996 99 99 SER CA C 58.5 0.2 1 997 99 99 SER CB C 64.3 0.2 1 998 99 99 SER N N 116.6 0.2 1 999 100 100 GLY H H 8.01 0.02 1 1000 100 100 GLY HA2 H 3.55 0.02 2 1001 100 100 GLY CA C 46.2 0.2 1 1002 100 100 GLY N N 117.1 0.2 1 stop_ save_