data_7276 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete 1H, 13C and 15N resonance assignments of Blo t 5, a major mite allergen from Blomia tropicalis. ; _BMRB_accession_number 7276 _BMRB_flat_file_name bmr7276.str _Entry_type original _Submission_date 2006-08-27 _Accession_date 2006-08-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assigned chemical shift entry.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Naik Mandar T. . 2 Chang Chi-Fon . . 3 Huang Tai-Huang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 769 "13C chemical shifts" 595 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2007-01-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Complete 1H, 13C and 15N resonance assignments of Blo t 5, a major mite allergen from Blomia tropicalis.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17206470 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Naik Mandar T. . 2 Chang Chi-Fon . . 3 Kuo I-Chun . . 4 Yu Tsunai . . 5 Fang Pei-Ju . . 6 Chua Kaw-Yan . . 7 Huang Tai-Huang . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 38 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 189 _Page_last 189 _Year 2006 _Details 'Letter to the Editor in Journal of Biomolecular NMR.' loop_ _Keyword Allergen 'Blomia tropicalis' 'House dust mite' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Blo t 5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Blo t 5' $Blo_t_5 stop_ _System_molecular_weight 14035.8 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'Blo t 5' stop_ loop_ _Biological_function Allergen 'Unknown in mites' stop_ _Database_query_date . _Details 'Blomia tropicalis Group 5 allergen.' save_ ######################## # Monomeric polymers # ######################## save_Blo_t_5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Blo t 5' _Molecular_mass 14035.8 _Mol_thiol_state 'all free' loop_ _Biological_function Allergen 'Unknown in mites' stop_ _Details ; Recombinant Blo t 5 expressed as Glutathione S-transferase fusion protein and contain a two residue, Gly-Ser tag at N-terminus. ; ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; GSQEHKPKKDDFRNEFDHLL IEQANHAIEKGEHQLLYLQH QLDELNENKSKELQEKIIRE LDVVCAMIEGAQGALERELK RTDLNILERFNYEEAQTLSK ILLKDLKETEQKVKDIQTQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 1 GLN 4 2 GLU 5 3 HIS 6 4 LYS 7 5 PRO 8 6 LYS 9 7 LYS 10 8 ASP 11 9 ASP 12 10 PHE 13 11 ARG 14 12 ASN 15 13 GLU 16 14 PHE 17 15 ASP 18 16 HIS 19 17 LEU 20 18 LEU 21 19 ILE 22 20 GLU 23 21 GLN 24 22 ALA 25 23 ASN 26 24 HIS 27 25 ALA 28 26 ILE 29 27 GLU 30 28 LYS 31 29 GLY 32 30 GLU 33 31 HIS 34 32 GLN 35 33 LEU 36 34 LEU 37 35 TYR 38 36 LEU 39 37 GLN 40 38 HIS 41 39 GLN 42 40 LEU 43 41 ASP 44 42 GLU 45 43 LEU 46 44 ASN 47 45 GLU 48 46 ASN 49 47 LYS 50 48 SER 51 49 LYS 52 50 GLU 53 51 LEU 54 52 GLN 55 53 GLU 56 54 LYS 57 55 ILE 58 56 ILE 59 57 ARG 60 58 GLU 61 59 LEU 62 60 ASP 63 61 VAL 64 62 VAL 65 63 CYS 66 64 ALA 67 65 MET 68 66 ILE 69 67 GLU 70 68 GLY 71 69 ALA 72 70 GLN 73 71 GLY 74 72 ALA 75 73 LEU 76 74 GLU 77 75 ARG 78 76 GLU 79 77 LEU 80 78 LYS 81 79 ARG 82 80 THR 83 81 ASP 84 82 LEU 85 83 ASN 86 84 ILE 87 85 LEU 88 86 GLU 89 87 ARG 90 88 PHE 91 89 ASN 92 90 TYR 93 91 GLU 94 92 GLU 95 93 ALA 96 94 GLN 97 95 THR 98 96 LEU 99 97 SER 100 98 LYS 101 99 ILE 102 100 LEU 103 101 LEU 104 102 LYS 105 103 ASP 106 104 LEU 107 105 LYS 108 106 GLU 109 107 THR 110 108 GLU 111 109 GLN 112 110 LYS 113 111 VAL 114 112 LYS 115 113 ASP 116 114 ILE 117 115 GLN 118 116 THR 119 117 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15345 Blo_t_5 94.12 112 100.00 100.00 7.36e-71 PDB 2JMH "Nmr Solution Structure Of Blo T 5, A Major Mite Allergen From Blomia Tropicalis" 100.00 119 100.00 100.00 4.39e-77 PDB 2JRK "Nmr Structure And Epitope Mapping Of Blo T 5" 94.12 112 100.00 100.00 7.36e-71 PDB 2MEY "Rdc Refined Solution Structure Of Blo T 5" 100.00 119 100.00 100.00 4.39e-77 GB AAD10850 "major IgE-binding protein Blo t 5 [Blomia tropicalis]" 99.16 134 99.15 100.00 9.84e-76 GB ABH06351 "Blo t 5 allergen [Blomia tropicalis]" 99.16 134 99.15 100.00 9.84e-76 GB ABH06352 "Blo t 5 allergen [Blomia tropicalis]" 99.16 134 98.31 99.15 1.12e-74 GB ABH06353 "Blo t 5 allergen [Blomia tropicalis]" 99.16 134 99.15 100.00 9.84e-76 GB ABH06354 "Blo t 5 allergen [Blomia tropicalis]" 99.16 134 99.15 100.00 9.84e-76 SP O96870 "RecName: Full=Mite allergen Blo t 5; AltName: Allergen=Blo t 5 [Blomia tropicalis]" 99.16 134 99.15 100.00 9.84e-76 stop_ 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 $Blo_t_5 'House dust mite' 40697 Eukaryota Metazoa 'mites and ticks' 'Blomia tropicalis' BLOT5 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Vendor_name $Blo_t_5 'recombinant technology' 'E. coli' Escherichia . BL21 plasmid pGEX4T-1 'Amersham Biosciences' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '13C, 15N Blo t 5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Blo_t_5 1 mM 0.95 1.05 '[U-13C; U-15N]' 'Potassium Phosphate' 50 mM 49.99 50.01 . 'Sodium Chloride' 100 mM 99.99 100.01 . EDTA 2 mM 1.99 2.01 . 'Sodium Azide' 0.001 % 0.0009 0.0011 . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N Blo t 5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Blo_t_5 1 mM 0.95 1.05 [U-15N] 'Potassium Phosphate' 50 mM 49.99 50.01 . 'Sodium Chloride' 100 mM 99.99 100.01 . EDTA 2 mM 1.99 2.01 . 'Sodium Azide' 0.001 % 0.0009 0.0011 . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'Blo t 5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Blo_t_5 1 mM 0.95 1.05 . 'Potassium Phosphate' 50 mM 49.99 50.01 . 'Sodium Chloride' 100 mM 99.99 100.01 . EDTA 2 mM 1.99 2.01 . 'Sodium Azide' 0.001 % 0.0009 0.0011 . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '10% 13C Blo t 5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Blo_t_5 0.8 mM 0.75 0.85 '[U-10% 13C]' 'Potassium Phosphate' 50 mM 49.99 50.01 . 'Sodium Chloride' 100 mM 99.99 100.01 . EDTA 2 mM 1.99 2.01 . 'Sodium Azide' 0.001 % 0.0009 0.0011 . stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details 'Only 15N Lys and 15N Leu Blo t 5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Blo_t_5 0.8 mM 0.75 0.85 [15N]-Lys,Leu 'Potassium Phosphate' 50 mM 49.99 50.01 . 'Sodium Chloride' 100 mM 99.99 100.01 . EDTA 2 mM 1.99 2.01 . 'Sodium Azide' 0.001 % 0.0009 0.0011 . stop_ save_ ############################ # Computer software used # ############################ save_XWinNMR _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker Germany . stop_ loop_ _Task 'NMR data acquisition' processing stop_ _Details . save_ save_Sparky _Saveframe_category software _Name SPARKY _Version 3.112 loop_ _Vendor _Address _Electronic_address UCSF USA . stop_ loop_ _Task 'NMR data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_500MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_800MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label $sample_2 save_ save_13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _Sample_label $sample_1 save_ save_HNCa_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCa _Sample_label $sample_1 save_ save_HN(CO)Ca_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)Ca _Sample_label $sample_1 save_ save_HNCaCb_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCaCb _Sample_label $sample_1 save_ save_CbCa(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CbCa(CO)NH _Sample_label $sample_1 save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(Ca)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(Ca)CO _Sample_label $sample_1 save_ save_HCaCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCaCO _Sample_label $sample_1 save_ save_HbHa(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name HbHa(CO)NH _Sample_label $sample_1 save_ save_(H)C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH _Sample_label $sample_1 save_ save_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label $sample_1 save_ save_15N_TocsyHSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name 15N_TocsyHSQC _Sample_label $sample_1 save_ save_HCCH-Cosy_14 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-Cosy _Sample_label $sample_1 save_ save_CCH-Tocsy_15 _Saveframe_category NMR_applied_experiment _Experiment_name CCH-Tocsy _Sample_label $sample_1 save_ save_HCCH-Tocsy_16 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-Tocsy _Sample_label $sample_1 save_ save_Cosy_17 _Saveframe_category NMR_applied_experiment _Experiment_name Cosy _Sample_label $sample_3 save_ save_15N_edited_NoesyHSQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '15N edited NoesyHSQC' _Sample_label . save_ save_13C_edited_NoesyHSQC_19 _Saveframe_category NMR_applied_experiment _Experiment_name '13C edited NoesyHSQC' _Sample_label . save_ save_Tocsy_20 _Saveframe_category NMR_applied_experiment _Experiment_name Tocsy _Sample_label $sample_3 save_ save_Noesy_21 _Saveframe_category NMR_applied_experiment _Experiment_name Noesy _Sample_label $sample_3 save_ save_(Hb)Cb(CgCd)Hd_22 _Saveframe_category NMR_applied_experiment _Experiment_name (Hb)Cb(CgCd)Hd _Sample_label $sample_1 save_ save_(Hb)Cb(CgCdCe)He_23 _Saveframe_category NMR_applied_experiment _Experiment_name (Hb)Cb(CgCdCe)He _Sample_label $sample_1 save_ save_15N_HMBC_24 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HMBC' _Sample_label $sample_2 save_ save_15N_HMQC_25 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HMQC' _Sample_label $sample_2 save_ save_HNHa_26 _Saveframe_category NMR_applied_experiment _Experiment_name HNHa _Sample_label $sample_1 save_ save_13C_CT-HSQC_27 _Saveframe_category NMR_applied_experiment _Experiment_name '13C CT-HSQC' _Sample_label $sample_4 save_ save_15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCa _Saveframe_category NMR_applied_experiment _Experiment_name HNCa _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(CO)Ca _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)Ca _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCaCb _Saveframe_category NMR_applied_experiment _Experiment_name HNCaCb _BMRB_pulse_sequence_accession_number . _Details . save_ save_CbCa(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CbCa(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HN(Ca)CO _Saveframe_category NMR_applied_experiment _Experiment_name HN(Ca)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCaCO _Saveframe_category NMR_applied_experiment _Experiment_name HCaCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HbHa(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name HbHa(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_(H)C(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name (H)C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_H(CCO)NH _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_TocsyHSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N Tocsy HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-Cosy _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-Cosy _BMRB_pulse_sequence_accession_number . _Details . save_ save_CCH-Tocsy _Saveframe_category NMR_applied_experiment _Experiment_name CCH-Tocsy _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-Tocsy _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-Tocsy _BMRB_pulse_sequence_accession_number . _Details . save_ save_Cosy _Saveframe_category NMR_applied_experiment _Experiment_name Cosy _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_edited_NoesyHSQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N edited Noesy HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C_edited_NoesyHSQC _Saveframe_category NMR_applied_experiment _Experiment_name '13C edited Noesy HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_Tocsy _Saveframe_category NMR_applied_experiment _Experiment_name Tocsy _BMRB_pulse_sequence_accession_number . _Details . save_ save_Noesy _Saveframe_category NMR_applied_experiment _Experiment_name Noesy _BMRB_pulse_sequence_accession_number . _Details . save_ save_(Hb)Cb(CgCd)Hd _Saveframe_category NMR_applied_experiment _Experiment_name (Hb)Cb(CgCd)Hd _BMRB_pulse_sequence_accession_number . _Details . save_ save_(Hb)Cb(CgCdCe)He _Saveframe_category NMR_applied_experiment _Experiment_name (Hb)Cb(CgCdCe)He _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_HMBC _Saveframe_category NMR_applied_experiment _Experiment_name '15N HMBC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_15N_HMQC _Saveframe_category NMR_applied_experiment _Experiment_name '15N HMQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNHa _Saveframe_category NMR_applied_experiment _Experiment_name HNHa _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C_CT-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name '13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_ph7.5_295K _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.01 pH temperature 295 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XWinNMR stop_ loop_ _Experiment_label '15N HSQC' '13C HSQC' HNCa HN(CO)Ca HNCaCb CbCa(CO)NH HNCO HCaCO HbHa(CO)NH (H)C(CO)NH H(CCO)NH 15N_TocsyHSQC HCCH-Cosy CCH-Tocsy HCCH-Tocsy Cosy '15N edited NoesyHSQC' '13C edited NoesyHSQC' Tocsy Noesy (Hb)Cb(CgCd)Hd (Hb)Cb(CgCdCe)He '15N HMBC' '15N HMQC' HNHa '13C CT-HSQC' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 $sample_4 stop_ _Sample_conditions_label $ph7.5_295K _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'Blo t 5' _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 1 GLY HA2 H 3.864 0.020 1 2 -2 1 GLY HA3 H 3.864 0.020 1 3 -2 1 GLY C C 171.657 0.400 1 4 -2 1 GLY CA C 43.848 0.400 1 5 -1 2 SER HA H 4.491 0.020 1 6 -1 2 SER HB2 H 3.890 0.020 1 7 -1 2 SER HB3 H 3.890 0.020 1 8 -1 2 SER C C 174.914 0.400 1 9 -1 2 SER CA C 58.785 0.400 1 10 -1 2 SER CB C 64.015 0.400 1 11 1 3 GLN HA H 3.863 0.020 1 12 1 3 GLN HB2 H 2.005 0.020 1 13 1 3 GLN HB3 H 2.005 0.020 1 14 1 3 GLN HG2 H 2.295 0.020 1 15 1 3 GLN HG3 H 2.295 0.020 1 16 1 3 GLN HE21 H 6.846 0.020 2 17 1 3 GLN HE22 H 6.627 0.020 2 18 1 3 GLN C C 176.006 0.400 1 19 1 3 GLN CA C 56.221 0.400 1 20 1 3 GLN CB C 31.334 0.400 1 21 1 3 GLN CG C 36.407 0.400 1 22 1 3 GLN CD C 179.139 0.400 1 23 1 3 GLN NE2 N 111.503 0.400 1 24 2 4 GLU H H 8.427 0.020 1 25 2 4 GLU HA H 4.220 0.020 1 26 2 4 GLU HB2 H 1.953 0.020 2 27 2 4 GLU HB3 H 1.897 0.020 2 28 2 4 GLU HG2 H 2.175 0.020 1 29 2 4 GLU HG3 H 2.175 0.020 1 30 2 4 GLU C C 176.182 0.400 1 31 2 4 GLU CA C 56.926 0.400 1 32 2 4 GLU CB C 30.405 0.400 1 33 2 4 GLU CG C 36.143 0.400 1 34 2 4 GLU CD C 183.870 0.400 1 35 2 4 GLU N N 121.784 0.400 1 36 3 5 HIS H H 8.383 0.020 1 37 3 5 HIS HA H 4.637 0.020 1 38 3 5 HIS HB2 H 3.084 0.020 2 39 3 5 HIS HB3 H 3.049 0.020 2 40 3 5 HIS HD2 H 7.005 0.020 1 41 3 5 HIS C C 175.019 0.400 1 42 3 5 HIS CA C 56.132 0.400 1 43 3 5 HIS CB C 30.980 0.400 1 44 3 5 HIS CD2 C 120.235 0.400 1 45 3 5 HIS N N 120.837 0.400 1 46 3 5 HIS ND1 N 187.624 0.400 1 47 3 5 HIS NE2 N 181.012 0.400 1 48 4 6 LYS H H 8.218 0.020 1 49 4 6 LYS HA H 4.598 0.020 1 50 4 6 LYS HB2 H 1.794 0.020 2 51 4 6 LYS HB3 H 1.692 0.020 2 52 4 6 LYS HG2 H 1.428 0.020 1 53 4 6 LYS HG3 H 1.428 0.020 1 54 4 6 LYS HD2 H 1.704 0.020 1 55 4 6 LYS HD3 H 1.704 0.020 1 56 4 6 LYS HE2 H 3.006 0.020 1 57 4 6 LYS HE3 H 3.006 0.020 1 58 4 6 LYS C C 174.197 0.400 1 59 4 6 LYS CA C 54.011 0.400 1 60 4 6 LYS CB C 32.752 0.400 1 61 4 6 LYS CG C 24.826 0.400 1 62 4 6 LYS CD C 29.410 0.400 1 63 4 6 LYS CE C 41.440 0.400 1 64 4 6 LYS N N 124.535 0.400 1 65 5 7 PRO HA H 4.402 0.020 1 66 5 7 PRO HB2 H 2.305 0.020 2 67 5 7 PRO HB3 H 1.901 0.020 2 68 5 7 PRO HG2 H 2.002 0.020 1 69 5 7 PRO HG3 H 2.002 0.020 1 70 5 7 PRO HD2 H 3.724 0.020 2 71 5 7 PRO HD3 H 3.624 0.020 2 72 5 7 PRO C C 176.806 0.400 1 73 5 7 PRO CA C 63.148 0.400 1 74 5 7 PRO CB C 32.277 0.400 1 75 5 7 PRO CG C 27.462 0.400 1 76 5 7 PRO CD C 50.523 0.400 1 77 6 8 LYS H H 8.532 0.020 1 78 6 8 LYS HA H 4.345 0.020 1 79 6 8 LYS HB2 H 1.828 0.020 1 80 6 8 LYS HB3 H 1.828 0.020 1 81 6 8 LYS HG2 H 1.437 0.020 1 82 6 8 LYS HG3 H 1.437 0.020 1 83 6 8 LYS HD2 H 1.719 0.020 1 84 6 8 LYS HD3 H 1.719 0.020 1 85 6 8 LYS HE2 H 3.001 0.020 1 86 6 8 LYS HE3 H 3.001 0.020 1 87 6 8 LYS C C 176.840 0.400 1 88 6 8 LYS CA C 56.207 0.400 1 89 6 8 LYS CB C 29.243 0.400 1 90 6 8 LYS CG C 24.641 0.400 1 91 6 8 LYS CD C 33.436 0.400 1 92 6 8 LYS CE C 41.742 0.400 1 93 6 8 LYS N N 122.294 0.400 1 94 7 9 LYS H H 8.462 0.020 1 95 7 9 LYS HA H 4.222 0.020 1 96 7 9 LYS HB2 H 1.928 0.020 1 97 7 9 LYS HB3 H 1.928 0.020 1 98 7 9 LYS HG2 H 1.460 0.020 1 99 7 9 LYS HG3 H 1.460 0.020 1 100 7 9 LYS HD2 H 1.774 0.020 1 101 7 9 LYS HD3 H 1.774 0.020 1 102 7 9 LYS HE2 H 3.008 0.020 1 103 7 9 LYS HE3 H 3.008 0.020 1 104 7 9 LYS C C 176.532 0.400 1 105 7 9 LYS CA C 56.777 0.400 1 106 7 9 LYS CB C 30.270 0.400 1 107 7 9 LYS CG C 24.288 0.400 1 108 7 9 LYS CD C 32.997 0.400 1 109 7 9 LYS CE C 42.835 0.400 1 110 7 9 LYS N N 123.194 0.400 1 111 8 10 ASP H H 8.354 0.020 1 112 8 10 ASP HA H 4.536 0.020 1 113 8 10 ASP HB2 H 2.537 0.020 1 114 8 10 ASP HB3 H 2.537 0.020 1 115 8 10 ASP C C 175.866 0.400 1 116 8 10 ASP CA C 54.441 0.400 1 117 8 10 ASP CB C 41.154 0.400 1 118 8 10 ASP CG C 178.458 0.400 1 119 8 10 ASP N N 120.440 0.400 1 120 9 11 ASP H H 8.124 0.020 1 121 9 11 ASP HA H 4.581 0.020 1 122 9 11 ASP HB2 H 3.159 0.020 2 123 9 11 ASP HB3 H 3.052 0.020 2 124 9 11 ASP C C 175.822 0.400 1 125 9 11 ASP CA C 57.985 0.400 1 126 9 11 ASP CB C 39.242 0.400 1 127 9 11 ASP CG C 171.079 0.400 1 128 9 11 ASP N N 120.282 0.400 1 129 10 12 PHE H H 8.008 0.020 1 130 10 12 PHE HA H 4.577 0.020 1 131 10 12 PHE HB2 H 2.949 0.020 1 132 10 12 PHE HB3 H 2.949 0.020 1 133 10 12 PHE HD1 H 7.158 0.020 3 134 10 12 PHE HD2 H 7.273 0.020 3 135 10 12 PHE HE1 H 7.306 0.020 1 136 10 12 PHE HE2 H 7.306 0.020 1 137 10 12 PHE HZ H 7.231 0.020 5 138 10 12 PHE C C 175.825 0.400 1 139 10 12 PHE CA C 57.990 0.400 1 140 10 12 PHE CB C 37.702 0.400 1 141 10 12 PHE CD1 C 131.723 0.400 3 142 10 12 PHE CD2 C 131.464 0.400 3 143 10 12 PHE CE1 C 131.756 0.400 1 144 10 12 PHE CE2 C 131.756 0.400 1 145 10 12 PHE CZ C 129.825 0.400 5 146 10 12 PHE N N 120.379 0.400 1 147 11 13 ARG H H 8.226 0.020 1 148 11 13 ARG HA H 4.274 0.020 1 149 11 13 ARG HB2 H 1.787 0.020 1 150 11 13 ARG HB3 H 1.787 0.020 1 151 11 13 ARG HG2 H 1.525 0.020 1 152 11 13 ARG HG3 H 1.525 0.020 1 153 11 13 ARG HD2 H 3.163 0.020 1 154 11 13 ARG HD3 H 3.163 0.020 1 155 11 13 ARG C C 176.134 0.400 1 156 11 13 ARG CA C 56.657 0.400 1 157 11 13 ARG CB C 31.019 0.400 1 158 11 13 ARG CG C 27.180 0.400 1 159 11 13 ARG CD C 43.308 0.400 1 160 11 13 ARG N N 122.277 0.400 1 161 12 14 ASN H H 8.569 0.020 1 162 12 14 ASN HA H 4.705 0.020 1 163 12 14 ASN HB2 H 2.807 0.020 1 164 12 14 ASN HB3 H 2.807 0.020 1 165 12 14 ASN HD21 H 7.048 0.020 2 166 12 14 ASN HD22 H 7.738 0.020 2 167 12 14 ASN C C 175.705 0.400 1 168 12 14 ASN CA C 53.207 0.400 1 169 12 14 ASN CB C 39.341 0.400 1 170 12 14 ASN CG C 176.953 0.400 1 171 12 14 ASN N N 119.285 0.400 1 172 12 14 ASN ND2 N 113.356 0.400 1 173 13 15 GLU H H 8.578 0.020 1 174 13 15 GLU HA H 4.150 0.020 1 175 13 15 GLU HB2 H 1.833 0.020 1 176 13 15 GLU HB3 H 1.833 0.020 1 177 13 15 GLU HG2 H 2.036 0.020 1 178 13 15 GLU HG3 H 2.036 0.020 1 179 13 15 GLU C C 176.634 0.400 1 180 13 15 GLU CA C 57.502 0.400 1 181 13 15 GLU CB C 30.127 0.400 1 182 13 15 GLU CG C 36.167 0.400 1 183 13 15 GLU CD C 183.871 0.400 1 184 13 15 GLU N N 121.729 0.400 1 185 14 16 PHE H H 8.152 0.020 1 186 14 16 PHE HA H 4.621 0.020 1 187 14 16 PHE HB2 H 3.177 0.020 1 188 14 16 PHE HB3 H 3.177 0.020 1 189 14 16 PHE HD1 H 7.226 0.020 1 190 14 16 PHE HD2 H 7.226 0.020 1 191 14 16 PHE HE1 H 7.325 0.020 1 192 14 16 PHE HE2 H 7.325 0.020 1 193 14 16 PHE HZ H 7.302 0.020 5 194 14 16 PHE C C 175.861 0.400 1 195 14 16 PHE CA C 57.637 0.400 1 196 14 16 PHE CB C 39.260 0.400 1 197 14 16 PHE CD1 C 131.772 0.400 1 198 14 16 PHE CD2 C 131.772 0.400 1 199 14 16 PHE CE1 C 132.033 0.400 1 200 14 16 PHE CE2 C 132.033 0.400 1 201 14 16 PHE CZ C 129.840 0.400 5 202 14 16 PHE N N 118.483 0.400 1 203 15 17 ASP H H 8.058 0.020 1 204 15 17 ASP HA H 3.897 0.020 1 205 15 17 ASP HB2 H 2.810 0.020 2 206 15 17 ASP HB3 H 2.680 0.020 2 207 15 17 ASP C C 178.777 0.400 1 208 15 17 ASP CA C 55.245 0.400 1 209 15 17 ASP CB C 39.504 0.400 1 210 15 17 ASP CG C 180.359 0.400 1 211 15 17 ASP N N 120.113 0.400 1 212 16 18 HIS H H 8.685 0.020 1 213 16 18 HIS HA H 3.986 0.020 1 214 16 18 HIS HB2 H 3.232 0.020 2 215 16 18 HIS HB3 H 3.151 0.020 2 216 16 18 HIS HD2 H 7.046 0.020 1 217 16 18 HIS HE1 H 7.919 0.020 1 218 16 18 HIS C C 175.768 0.400 1 219 16 18 HIS CA C 56.592 0.400 1 220 16 18 HIS CB C 31.000 0.400 1 221 16 18 HIS CD2 C 120.318 0.400 1 222 16 18 HIS CE1 C 138.109 0.400 1 223 16 18 HIS N N 116.158 0.400 1 224 16 18 HIS ND1 N 204.739 0.400 1 225 16 18 HIS NE2 N 178.782 0.400 1 226 17 19 LEU H H 8.051 0.020 1 227 17 19 LEU HA H 4.303 0.020 1 228 17 19 LEU HB2 H 1.826 0.020 1 229 17 19 LEU HB3 H 1.826 0.020 1 230 17 19 LEU HG H 1.699 0.020 1 231 17 19 LEU HD1 H 0.938 0.020 2 232 17 19 LEU HD2 H 0.938 0.020 2 233 17 19 LEU C C 175.739 0.400 1 234 17 19 LEU CA C 56.465 0.400 1 235 17 19 LEU CB C 42.000 0.400 1 236 17 19 LEU CG C 27.533 0.400 1 237 17 19 LEU CD1 C 24.273 0.400 1 238 17 19 LEU CD2 C 24.305 0.400 1 239 17 19 LEU N N 121.592 0.400 1 240 18 20 LEU H H 8.180 0.020 1 241 18 20 LEU HA H 4.164 0.020 1 242 18 20 LEU HB2 H 1.706 0.020 1 243 18 20 LEU HB3 H 1.706 0.020 1 244 18 20 LEU HG H 1.592 0.020 1 245 18 20 LEU HD1 H 0.942 0.020 2 246 18 20 LEU HD2 H 0.942 0.020 2 247 18 20 LEU C C 175.904 0.400 1 248 18 20 LEU CA C 57.273 0.400 1 249 18 20 LEU CB C 41.833 0.400 1 250 18 20 LEU CG C 27.607 0.400 1 251 18 20 LEU CD1 C 24.584 0.400 1 252 18 20 LEU CD2 C 24.584 0.400 1 253 18 20 LEU N N 122.186 0.400 1 254 19 21 ILE H H 8.379 0.020 1 255 19 21 ILE HA H 3.936 0.020 1 256 19 21 ILE HB H 1.858 0.020 1 257 19 21 ILE HG12 H 1.312 0.020 2 258 19 21 ILE HG13 H 1.178 0.020 2 259 19 21 ILE HG2 H 0.936 0.020 1 260 19 21 ILE HD1 H 0.562 0.020 1 261 19 21 ILE C C 175.831 0.400 1 262 19 21 ILE CA C 62.275 0.400 1 263 19 21 ILE CB C 37.400 0.400 1 264 19 21 ILE CG1 C 29.223 0.400 1 265 19 21 ILE CG2 C 18.521 0.400 1 266 19 21 ILE CD1 C 13.048 0.400 1 267 19 21 ILE N N 119.895 0.400 1 268 20 22 GLU H H 8.168 0.020 1 269 20 22 GLU HA H 4.084 0.020 1 270 20 22 GLU HB2 H 2.077 0.020 1 271 20 22 GLU HB3 H 2.077 0.020 1 272 20 22 GLU HG2 H 2.291 0.020 1 273 20 22 GLU HG3 H 2.291 0.020 1 274 20 22 GLU C C 179.290 0.400 1 275 20 22 GLU CA C 59.632 0.400 1 276 20 22 GLU CB C 29.175 0.400 1 277 20 22 GLU CG C 36.852 0.400 1 278 20 22 GLU CD C 183.698 0.400 1 279 20 22 GLU N N 121.390 0.400 1 280 21 23 GLN H H 8.073 0.020 1 281 21 23 GLN HA H 4.206 0.020 1 282 21 23 GLN HB2 H 2.244 0.020 1 283 21 23 GLN HB3 H 2.244 0.020 1 284 21 23 GLN HG2 H 2.443 0.020 1 285 21 23 GLN HG3 H 2.443 0.020 1 286 21 23 GLN HE21 H 7.512 0.020 2 287 21 23 GLN HE22 H 6.807 0.020 2 288 21 23 GLN C C 179.300 0.400 1 289 21 23 GLN CA C 58.239 0.400 1 290 21 23 GLN CB C 28.942 0.400 1 291 21 23 GLN CG C 33.772 0.400 1 292 21 23 GLN CD C 179.779 0.400 1 293 21 23 GLN N N 118.374 0.400 1 294 21 23 GLN NE2 N 111.038 0.400 1 295 22 24 ALA H H 8.468 0.020 1 296 22 24 ALA HA H 4.102 0.020 1 297 22 24 ALA HB H 1.488 0.020 1 298 22 24 ALA C C 178.697 0.400 1 299 22 24 ALA CA C 55.686 0.400 1 300 22 24 ALA CB C 17.606 0.400 1 301 22 24 ALA N N 123.454 0.400 1 302 23 25 ASN H H 8.625 0.020 1 303 23 25 ASN HA H 4.709 0.020 1 304 23 25 ASN HB2 H 2.985 0.020 1 305 23 25 ASN HB3 H 2.985 0.020 1 306 23 25 ASN HD21 H 7.411 0.020 2 307 23 25 ASN HD22 H 6.672 0.020 2 308 23 25 ASN C C 178.698 0.400 1 309 23 25 ASN CA C 57.145 0.400 1 310 23 25 ASN CB C 39.028 0.400 1 311 23 25 ASN CG C 175.356 0.400 1 312 23 25 ASN N N 116.061 0.400 1 313 23 25 ASN ND2 N 109.451 0.400 1 314 24 26 HIS H H 8.315 0.020 1 315 24 26 HIS HA H 4.526 0.020 1 316 24 26 HIS HB2 H 3.267 0.020 1 317 24 26 HIS HB3 H 3.267 0.020 1 318 24 26 HIS HD2 H 7.078 0.020 1 319 24 26 HIS HE1 H 7.892 0.020 1 320 24 26 HIS C C 177.178 0.400 1 321 24 26 HIS CA C 58.844 0.400 1 322 24 26 HIS CB C 30.016 0.400 1 323 24 26 HIS CD2 C 121.375 0.400 1 324 24 26 HIS CE1 C 138.077 0.400 1 325 24 26 HIS N N 120.145 0.400 1 326 24 26 HIS ND1 N 202.180 0.400 1 327 24 26 HIS NE2 N 186.448 0.400 1 328 25 27 ALA H H 8.012 0.020 1 329 25 27 ALA HA H 4.104 0.020 1 330 25 27 ALA HB H 1.507 0.020 1 331 25 27 ALA C C 179.469 0.400 1 332 25 27 ALA CA C 55.394 0.400 1 333 25 27 ALA CB C 18.078 0.400 1 334 25 27 ALA N N 122.048 0.400 1 335 26 28 ILE H H 8.112 0.020 1 336 26 28 ILE HA H 3.486 0.020 1 337 26 28 ILE HB H 1.938 0.020 1 338 26 28 ILE HG12 H 1.807 0.020 1 339 26 28 ILE HG13 H 1.807 0.020 1 340 26 28 ILE HG2 H 0.904 0.020 1 341 26 28 ILE HD1 H 0.882 0.020 1 342 26 28 ILE C C 177.265 0.400 1 343 26 28 ILE CA C 65.272 0.400 1 344 26 28 ILE CB C 38.643 0.400 1 345 26 28 ILE CG1 C 29.742 0.400 1 346 26 28 ILE CG2 C 17.617 0.400 1 347 26 28 ILE CD1 C 13.738 0.400 1 348 26 28 ILE N N 118.394 0.400 1 349 27 29 GLU H H 8.037 0.020 1 350 27 29 GLU HA H 4.101 0.020 1 351 27 29 GLU HB2 H 2.138 0.020 1 352 27 29 GLU HB3 H 2.138 0.020 1 353 27 29 GLU HG2 H 2.545 0.020 1 354 27 29 GLU HG3 H 2.545 0.020 1 355 27 29 GLU C C 179.633 0.400 1 356 27 29 GLU CA C 59.660 0.400 1 357 27 29 GLU CB C 29.861 0.400 1 358 27 29 GLU CG C 36.575 0.400 1 359 27 29 GLU CD C 182.830 0.400 1 360 27 29 GLU N N 120.388 0.400 1 361 28 30 LYS H H 8.304 0.020 1 362 28 30 LYS HA H 4.102 0.020 1 363 28 30 LYS HB2 H 1.836 0.020 1 364 28 30 LYS HB3 H 1.836 0.020 1 365 28 30 LYS HG2 H 1.362 0.020 1 366 28 30 LYS HG3 H 1.362 0.020 1 367 28 30 LYS HD2 H 1.678 0.020 1 368 28 30 LYS HD3 H 1.678 0.020 1 369 28 30 LYS HE2 H 2.993 0.020 1 370 28 30 LYS HE3 H 2.993 0.020 1 371 28 30 LYS C C 179.905 0.400 1 372 28 30 LYS CA C 59.113 0.400 1 373 28 30 LYS CB C 32.062 0.400 1 374 28 30 LYS CG C 24.893 0.400 1 375 28 30 LYS CD C 28.681 0.400 1 376 28 30 LYS CE C 43.376 0.400 1 377 28 30 LYS N N 119.090 0.400 1 378 29 31 GLY H H 8.771 0.020 1 379 29 31 GLY HA2 H 3.763 0.020 2 380 29 31 GLY HA3 H 3.601 0.020 2 381 29 31 GLY C C 174.614 0.400 1 382 29 31 GLY CA C 47.832 0.400 1 383 29 31 GLY N N 108.794 0.400 1 384 30 32 GLU H H 8.772 0.020 1 385 30 32 GLU HA H 3.983 0.020 1 386 30 32 GLU HB2 H 2.066 0.020 1 387 30 32 GLU HB3 H 2.066 0.020 1 388 30 32 GLU HG2 H 2.527 0.020 1 389 30 32 GLU HG3 H 2.527 0.020 1 390 30 32 GLU C C 179.601 0.400 1 391 30 32 GLU CA C 60.140 0.400 1 392 30 32 GLU CB C 29.734 0.400 1 393 30 32 GLU CG C 37.037 0.400 1 394 30 32 GLU CD C 182.830 0.400 1 395 30 32 GLU N N 122.425 0.400 1 396 31 33 HIS H H 7.932 0.020 1 397 31 33 HIS HA H 4.395 0.020 1 398 31 33 HIS HB2 H 3.320 0.020 1 399 31 33 HIS HB3 H 3.320 0.020 1 400 31 33 HIS HD2 H 7.090 0.020 1 401 31 33 HIS HE1 H 7.843 0.020 1 402 31 33 HIS C C 178.967 0.400 1 403 31 33 HIS CA C 59.652 0.400 1 404 31 33 HIS CB C 30.218 0.400 1 405 31 33 HIS CD2 C 120.066 0.400 1 406 31 33 HIS CE1 C 138.320 0.400 1 407 31 33 HIS N N 118.504 0.400 1 408 31 33 HIS ND1 N 212.259 0.400 1 409 31 33 HIS NE2 N 178.642 0.400 1 410 32 34 GLN H H 8.702 0.020 1 411 32 34 GLN HA H 4.347 0.020 1 412 32 34 GLN HB2 H 2.349 0.020 2 413 32 34 GLN HB3 H 2.133 0.020 2 414 32 34 GLN HG2 H 2.510 0.020 1 415 32 34 GLN HG3 H 2.510 0.020 1 416 32 34 GLN HE21 H 7.754 0.020 2 417 32 34 GLN HE22 H 6.896 0.020 2 418 32 34 GLN C C 178.353 0.400 1 419 32 34 GLN CA C 58.632 0.400 1 420 32 34 GLN CB C 29.115 0.400 1 421 32 34 GLN CG C 34.125 0.400 1 422 32 34 GLN CD C 178.656 0.400 1 423 32 34 GLN N N 119.498 0.400 1 424 32 34 GLN NE2 N 110.129 0.400 1 425 33 35 LEU H H 8.758 0.020 1 426 33 35 LEU HA H 4.079 0.020 1 427 33 35 LEU HB2 H 2.060 0.020 1 428 33 35 LEU HB3 H 2.060 0.020 1 429 33 35 LEU HG H 1.549 0.020 1 430 33 35 LEU HD1 H 0.961 0.020 2 431 33 35 LEU HD2 H 0.901 0.020 2 432 33 35 LEU C C 178.059 0.400 1 433 33 35 LEU CA C 58.649 0.400 1 434 33 35 LEU CB C 41.294 0.400 1 435 33 35 LEU CG C 26.590 0.400 1 436 33 35 LEU CD1 C 26.309 0.400 1 437 33 35 LEU CD2 C 23.586 0.400 1 438 33 35 LEU N N 120.664 0.400 1 439 34 36 LEU H H 7.453 0.020 1 440 34 36 LEU HA H 4.153 0.020 1 441 34 36 LEU HB2 H 1.819 0.020 1 442 34 36 LEU HB3 H 1.819 0.020 1 443 34 36 LEU HG H 1.697 0.020 1 444 34 36 LEU HD1 H 0.956 0.020 2 445 34 36 LEU HD2 H 0.956 0.020 2 446 34 36 LEU C C 179.801 0.400 1 447 34 36 LEU CA C 58.159 0.400 1 448 34 36 LEU CB C 41.483 0.400 1 449 34 36 LEU CG C 26.943 0.400 1 450 34 36 LEU CD1 C 24.499 0.400 1 451 34 36 LEU CD2 C 24.499 0.400 1 452 34 36 LEU N N 118.345 0.400 1 453 35 37 TYR H H 7.675 0.020 1 454 35 37 TYR HA H 4.419 0.020 1 455 35 37 TYR HB2 H 3.184 0.020 1 456 35 37 TYR HB3 H 3.184 0.020 1 457 35 37 TYR HD1 H 7.158 0.020 1 458 35 37 TYR HD2 H 7.158 0.020 1 459 35 37 TYR HE1 H 6.823 0.020 1 460 35 37 TYR HE2 H 6.823 0.020 1 461 35 37 TYR C C 178.399 0.400 1 462 35 37 TYR CA C 60.659 0.400 1 463 35 37 TYR CB C 38.098 0.400 1 464 35 37 TYR CD1 C 133.416 0.400 1 465 35 37 TYR CD2 C 133.416 0.400 1 466 35 37 TYR CE1 C 118.277 0.400 1 467 35 37 TYR CE2 C 118.277 0.400 1 468 35 37 TYR N N 120.285 0.400 1 469 36 38 LEU H H 8.881 0.020 1 470 36 38 LEU HA H 3.871 0.020 1 471 36 38 LEU HB2 H 2.113 0.020 1 472 36 38 LEU HB3 H 2.113 0.020 1 473 36 38 LEU HG H 0.895 0.020 1 474 36 38 LEU HD1 H 0.752 0.020 2 475 36 38 LEU HD2 H 0.752 0.020 2 476 36 38 LEU C C 179.120 0.400 1 477 36 38 LEU CA C 58.003 0.400 1 478 36 38 LEU CB C 41.398 0.400 1 479 36 38 LEU CG C 25.853 0.400 1 480 36 38 LEU CD1 C 23.760 0.400 1 481 36 38 LEU CD2 C 23.760 0.400 1 482 36 38 LEU N N 121.148 0.400 1 483 37 39 GLN H H 8.534 0.020 1 484 37 39 GLN HA H 3.890 0.020 1 485 37 39 GLN HB2 H 2.349 0.020 2 486 37 39 GLN HB3 H 2.030 0.020 2 487 37 39 GLN HG2 H 2.644 0.020 2 488 37 39 GLN HG3 H 2.335 0.020 2 489 37 39 GLN HE21 H 7.066 0.020 2 490 37 39 GLN HE22 H 6.848 0.020 2 491 37 39 GLN C C 179.158 0.400 1 492 37 39 GLN CA C 59.436 0.400 1 493 37 39 GLN CB C 27.537 0.400 1 494 37 39 GLN CG C 34.638 0.400 1 495 37 39 GLN CD C 179.566 0.400 1 496 37 39 GLN N N 118.676 0.400 1 497 37 39 GLN NE2 N 110.751 0.400 1 498 38 40 HIS H H 7.886 0.020 1 499 38 40 HIS HA H 4.582 0.020 1 500 38 40 HIS HB2 H 3.369 0.020 1 501 38 40 HIS HB3 H 3.369 0.020 1 502 38 40 HIS HD2 H 7.091 0.020 1 503 38 40 HIS HE1 H 8.069 0.020 1 504 38 40 HIS C C 178.471 0.400 1 505 38 40 HIS CA C 58.784 0.400 1 506 38 40 HIS CB C 28.807 0.400 1 507 38 40 HIS CD2 C 120.736 0.400 1 508 38 40 HIS CE1 C 137.749 0.400 1 509 38 40 HIS N N 119.177 0.400 1 510 38 40 HIS ND1 N 193.341 0.400 1 511 38 40 HIS NE2 N 178.949 0.400 1 512 39 41 GLN H H 7.994 0.020 1 513 39 41 GLN HA H 4.065 0.020 1 514 39 41 GLN HB2 H 1.984 0.020 1 515 39 41 GLN HB3 H 1.984 0.020 1 516 39 41 GLN HG2 H 1.989 0.020 1 517 39 41 GLN HG3 H 1.989 0.020 1 518 39 41 GLN HE21 H 7.585 0.020 2 519 39 41 GLN HE22 H 6.919 0.020 2 520 39 41 GLN C C 177.895 0.400 1 521 39 41 GLN CA C 58.580 0.400 1 522 39 41 GLN CB C 29.232 0.400 1 523 39 41 GLN CG C 34.689 0.400 1 524 39 41 GLN CD C 180.772 0.400 1 525 39 41 GLN N N 119.214 0.400 1 526 39 41 GLN NE2 N 112.743 0.400 1 527 40 42 LEU H H 8.309 0.020 1 528 40 42 LEU HA H 3.984 0.020 1 529 40 42 LEU HB2 H 2.105 0.020 1 530 40 42 LEU HB3 H 2.105 0.020 1 531 40 42 LEU HG H 1.676 0.020 1 532 40 42 LEU HD1 H 0.968 0.020 2 533 40 42 LEU HD2 H 0.948 0.020 2 534 40 42 LEU C C 177.966 0.400 1 535 40 42 LEU CA C 58.135 0.400 1 536 40 42 LEU CB C 41.015 0.400 1 537 40 42 LEU CG C 26.280 0.400 1 538 40 42 LEU CD1 C 26.582 0.400 1 539 40 42 LEU CD2 C 23.882 0.400 1 540 40 42 LEU N N 121.838 0.400 1 541 41 43 ASP H H 7.646 0.020 1 542 41 43 ASP HA H 4.458 0.020 1 543 41 43 ASP HB2 H 2.921 0.020 2 544 41 43 ASP HB3 H 2.704 0.020 2 545 41 43 ASP C C 179.397 0.400 1 546 41 43 ASP CA C 57.839 0.400 1 547 41 43 ASP CB C 39.908 0.400 1 548 41 43 ASP CG C 179.242 0.400 1 549 41 43 ASP N N 120.042 0.400 1 550 42 44 GLU H H 7.492 0.020 1 551 42 44 GLU HA H 4.076 0.020 1 552 42 44 GLU HB2 H 2.146 0.020 1 553 42 44 GLU HB3 H 2.146 0.020 1 554 42 44 GLU HG2 H 2.269 0.020 1 555 42 44 GLU HG3 H 2.269 0.020 1 556 42 44 GLU C C 179.024 0.400 1 557 42 44 GLU CA C 59.458 0.400 1 558 42 44 GLU CB C 29.026 0.400 1 559 42 44 GLU CG C 36.188 0.400 1 560 42 44 GLU CD C 183.945 0.400 1 561 42 44 GLU N N 120.637 0.400 1 562 43 45 LEU H H 8.628 0.020 1 563 43 45 LEU HA H 4.481 0.020 1 564 43 45 LEU HB2 H 2.099 0.020 1 565 43 45 LEU HB3 H 2.099 0.020 1 566 43 45 LEU HG H 1.623 0.020 1 567 43 45 LEU HD1 H 0.937 0.020 2 568 43 45 LEU HD2 H 0.898 0.020 2 569 43 45 LEU C C 178.602 0.400 1 570 43 45 LEU CA C 56.766 0.400 1 571 43 45 LEU CB C 41.418 0.400 1 572 43 45 LEU CG C 27.359 0.400 1 573 43 45 LEU CD1 C 28.263 0.400 1 574 43 45 LEU CD2 C 24.305 0.400 1 575 43 45 LEU N N 123.364 0.400 1 576 44 46 ASN H H 8.486 0.020 1 577 44 46 ASN HA H 4.350 0.020 1 578 44 46 ASN HB2 H 2.832 0.020 2 579 44 46 ASN HB3 H 2.787 0.020 2 580 44 46 ASN HD21 H 7.576 0.020 2 581 44 46 ASN HD22 H 6.870 0.020 2 582 44 46 ASN C C 176.658 0.400 1 583 44 46 ASN CA C 56.183 0.400 1 584 44 46 ASN CB C 39.210 0.400 1 585 44 46 ASN CG C 176.151 0.400 1 586 44 46 ASN N N 116.131 0.400 1 587 44 46 ASN ND2 N 113.139 0.400 1 588 45 47 GLU H H 7.370 0.020 1 589 45 47 GLU HA H 4.318 0.020 1 590 45 47 GLU HB2 H 2.130 0.020 1 591 45 47 GLU HB3 H 2.130 0.020 1 592 45 47 GLU HG2 H 2.302 0.020 1 593 45 47 GLU HG3 H 2.302 0.020 1 594 45 47 GLU C C 177.549 0.400 1 595 45 47 GLU CA C 58.079 0.400 1 596 45 47 GLU CB C 30.349 0.400 1 597 45 47 GLU CG C 35.898 0.400 1 598 45 47 GLU CD C 182.064 0.400 1 599 45 47 GLU N N 115.611 0.400 1 600 46 48 ASN H H 8.468 0.020 1 601 46 48 ASN HA H 4.691 0.020 1 602 46 48 ASN HB2 H 2.990 0.020 2 603 46 48 ASN HB3 H 2.817 0.020 2 604 46 48 ASN HD21 H 7.591 0.020 2 605 46 48 ASN HD22 H 5.995 0.020 2 606 46 48 ASN C C 176.046 0.400 1 607 46 48 ASN CA C 53.521 0.400 1 608 46 48 ASN CB C 38.731 0.400 1 609 46 48 ASN CG C 175.834 0.400 1 610 46 48 ASN N N 115.866 0.400 1 611 46 48 ASN ND2 N 110.129 0.400 1 612 47 49 LYS H H 9.189 0.020 1 613 47 49 LYS HA H 3.700 0.020 1 614 47 49 LYS HB2 H 2.014 0.020 1 615 47 49 LYS HB3 H 2.014 0.020 1 616 47 49 LYS HG2 H 1.276 0.020 1 617 47 49 LYS HG3 H 1.276 0.020 1 618 47 49 LYS HD2 H 1.767 0.020 2 619 47 49 LYS HD3 H 1.617 0.020 2 620 47 49 LYS HE2 H 3.091 0.020 1 621 47 49 LYS HE3 H 3.091 0.020 1 622 47 49 LYS C C 175.138 0.400 1 623 47 49 LYS CA C 56.746 0.400 1 624 47 49 LYS CB C 30.191 0.400 1 625 47 49 LYS CG C 24.980 0.400 1 626 47 49 LYS CD C 28.876 0.400 1 627 47 49 LYS CE C 42.868 0.400 1 628 47 49 LYS N N 118.935 0.400 1 629 48 50 SER H H 8.098 0.020 1 630 48 50 SER HA H 4.583 0.020 1 631 48 50 SER HB2 H 3.876 0.020 1 632 48 50 SER HB3 H 3.876 0.020 1 633 48 50 SER C C 176.030 0.400 1 634 48 50 SER CA C 57.292 0.400 1 635 48 50 SER CB C 63.714 0.400 1 636 48 50 SER N N 112.976 0.400 1 637 49 51 LYS H H 9.134 0.020 1 638 49 51 LYS HA H 4.034 0.020 1 639 49 51 LYS HB2 H 1.776 0.020 1 640 49 51 LYS HB3 H 1.776 0.020 1 641 49 51 LYS HG2 H 1.455 0.020 1 642 49 51 LYS HG3 H 1.455 0.020 1 643 49 51 LYS HD2 H 1.667 0.020 1 644 49 51 LYS HD3 H 1.667 0.020 1 645 49 51 LYS HE2 H 2.969 0.020 1 646 49 51 LYS HE3 H 2.969 0.020 1 647 49 51 LYS C C 177.919 0.400 1 648 49 51 LYS CA C 59.662 0.400 1 649 49 51 LYS CB C 32.731 0.400 1 650 49 51 LYS CG C 24.450 0.400 1 651 49 51 LYS CD C 29.190 0.400 1 652 49 51 LYS CE C 41.870 0.400 1 653 49 51 LYS N N 132.910 0.400 1 654 50 52 GLU H H 8.359 0.020 1 655 50 52 GLU HA H 4.065 0.020 1 656 50 52 GLU HB2 H 1.944 0.020 1 657 50 52 GLU HB3 H 1.944 0.020 1 658 50 52 GLU HG2 H 2.321 0.020 1 659 50 52 GLU HG3 H 2.321 0.020 1 660 50 52 GLU C C 179.495 0.400 1 661 50 52 GLU CA C 59.686 0.400 1 662 50 52 GLU CB C 29.487 0.400 1 663 50 52 GLU CG C 36.871 0.400 1 664 50 52 GLU CD C 183.924 0.400 1 665 50 52 GLU N N 118.626 0.400 1 666 51 53 LEU H H 7.630 0.020 1 667 51 53 LEU HA H 4.304 0.020 1 668 51 53 LEU HB2 H 2.021 0.020 1 669 51 53 LEU HB3 H 2.021 0.020 1 670 51 53 LEU HG H 1.567 0.020 1 671 51 53 LEU HD1 H 1.082 0.020 2 672 51 53 LEU HD2 H 1.071 0.020 2 673 51 53 LEU C C 177.675 0.400 1 674 51 53 LEU CA C 57.211 0.400 1 675 51 53 LEU CB C 41.237 0.400 1 676 51 53 LEU CG C 27.298 0.400 1 677 51 53 LEU CD1 C 25.821 0.400 1 678 51 53 LEU CD2 C 22.641 0.400 1 679 51 53 LEU N N 121.830 0.400 1 680 52 54 GLN H H 8.253 0.020 1 681 52 54 GLN HA H 3.687 0.020 1 682 52 54 GLN HB2 H 1.959 0.020 1 683 52 54 GLN HB3 H 1.959 0.020 1 684 52 54 GLN HG2 H 2.109 0.020 1 685 52 54 GLN HG3 H 2.109 0.020 1 686 52 54 GLN HE21 H 7.262 0.020 2 687 52 54 GLN HE22 H 8.125 0.020 2 688 52 54 GLN C C 176.873 0.400 1 689 52 54 GLN CA C 60.243 0.400 1 690 52 54 GLN CB C 30.468 0.400 1 691 52 54 GLN CG C 34.054 0.400 1 692 52 54 GLN CD C 178.985 0.400 1 693 52 54 GLN N N 119.804 0.400 1 694 52 54 GLN NE2 N 117.424 0.400 1 695 53 55 GLU H H 8.369 0.020 1 696 53 55 GLU HA H 3.957 0.020 1 697 53 55 GLU HB2 H 2.167 0.020 2 698 53 55 GLU HB3 H 2.036 0.020 2 699 53 55 GLU HG2 H 2.561 0.020 1 700 53 55 GLU HG3 H 2.561 0.020 1 701 53 55 GLU C C 179.046 0.400 1 702 53 55 GLU CA C 59.685 0.400 1 703 53 55 GLU CB C 29.517 0.400 1 704 53 55 GLU CG C 36.820 0.400 1 705 53 55 GLU CD C 183.396 0.400 1 706 53 55 GLU N N 116.021 0.400 1 707 54 56 LYS H H 7.784 0.020 1 708 54 56 LYS HA H 4.031 0.020 1 709 54 56 LYS HB2 H 2.159 0.020 1 710 54 56 LYS HB3 H 2.159 0.020 1 711 54 56 LYS HG2 H 1.604 0.020 1 712 54 56 LYS HG3 H 1.604 0.020 1 713 54 56 LYS HD2 H 1.698 0.020 1 714 54 56 LYS HD3 H 1.698 0.020 1 715 54 56 LYS HE2 H 2.956 0.020 1 716 54 56 LYS HE3 H 2.956 0.020 1 717 54 56 LYS C C 178.626 0.400 1 718 54 56 LYS CA C 59.997 0.400 1 719 54 56 LYS CB C 32.817 0.400 1 720 54 56 LYS CG C 25.214 0.400 1 721 54 56 LYS CD C 28.260 0.400 1 722 54 56 LYS CE C 42.000 0.400 1 723 54 56 LYS N N 121.279 0.400 1 724 55 57 ILE H H 8.567 0.020 1 725 55 57 ILE HA H 3.684 0.020 1 726 55 57 ILE HB H 1.858 0.020 1 727 55 57 ILE HG12 H 0.870 0.020 1 728 55 57 ILE HG13 H 0.870 0.020 1 729 55 57 ILE HG2 H 0.949 0.020 1 730 55 57 ILE HD1 H 0.728 0.020 1 731 55 57 ILE C C 178.246 0.400 1 732 55 57 ILE CA C 65.840 0.400 1 733 55 57 ILE CB C 38.423 0.400 1 734 55 57 ILE CG1 C 28.443 0.400 1 735 55 57 ILE CG2 C 18.521 0.400 1 736 55 57 ILE CD1 C 15.540 0.400 1 737 55 57 ILE N N 118.932 0.400 1 738 56 58 ILE H H 8.191 0.020 1 739 56 58 ILE HA H 3.870 0.020 1 740 56 58 ILE HB H 1.843 0.020 1 741 56 58 ILE HG12 H 1.252 0.020 1 742 56 58 ILE HG13 H 1.252 0.020 1 743 56 58 ILE HG2 H 0.949 0.020 1 744 56 58 ILE HD1 H 0.914 0.020 1 745 56 58 ILE C C 177.967 0.400 1 746 56 58 ILE CA C 65.258 0.400 1 747 56 58 ILE CB C 37.418 0.400 1 748 56 58 ILE CG1 C 29.476 0.400 1 749 56 58 ILE CG2 C 17.097 0.400 1 750 56 58 ILE CD1 C 13.242 0.400 1 751 56 58 ILE N N 119.130 0.400 1 752 57 59 ARG H H 7.923 0.020 1 753 57 59 ARG HA H 4.207 0.020 1 754 57 59 ARG HB2 H 2.099 0.020 2 755 57 59 ARG HB3 H 1.983 0.020 2 756 57 59 ARG HG2 H 1.871 0.020 2 757 57 59 ARG HG3 H 1.721 0.020 2 758 57 59 ARG HD2 H 3.276 0.020 1 759 57 59 ARG HD3 H 3.276 0.020 1 760 57 59 ARG C C 179.629 0.400 1 761 57 59 ARG CA C 59.674 0.400 1 762 57 59 ARG CB C 30.027 0.400 1 763 57 59 ARG CG C 27.807 0.400 1 764 57 59 ARG CD C 43.678 0.400 1 765 57 59 ARG N N 118.854 0.400 1 766 58 60 GLU H H 8.194 0.020 1 767 58 60 GLU HA H 4.133 0.020 1 768 58 60 GLU HB2 H 2.298 0.020 1 769 58 60 GLU HB3 H 2.298 0.020 1 770 58 60 GLU HG2 H 2.613 0.020 1 771 58 60 GLU HG3 H 2.613 0.020 1 772 58 60 GLU C C 180.156 0.400 1 773 58 60 GLU CA C 59.649 0.400 1 774 58 60 GLU CB C 29.798 0.400 1 775 58 60 GLU CG C 36.970 0.400 1 776 58 60 GLU CD C 183.897 0.400 1 777 58 60 GLU N N 119.293 0.400 1 778 59 61 LEU H H 9.049 0.020 1 779 59 61 LEU HA H 3.968 0.020 1 780 59 61 LEU HB2 H 2.160 0.020 1 781 59 61 LEU HB3 H 2.160 0.020 1 782 59 61 LEU HG H 1.851 0.020 1 783 59 61 LEU HD1 H 0.824 0.020 2 784 59 61 LEU HD2 H 0.918 0.020 2 785 59 61 LEU C C 178.764 0.400 1 786 59 61 LEU CA C 58.615 0.400 1 787 59 61 LEU CB C 42.112 0.400 1 788 59 61 LEU CG C 27.258 0.400 1 789 59 61 LEU CD1 C 26.377 0.400 1 790 59 61 LEU CD2 C 25.062 0.400 1 791 59 61 LEU N N 122.199 0.400 1 792 60 62 ASP H H 8.230 0.020 1 793 60 62 ASP HA H 4.424 0.020 1 794 60 62 ASP HB2 H 2.944 0.020 2 795 60 62 ASP HB3 H 2.754 0.020 2 796 60 62 ASP C C 179.516 0.400 1 797 60 62 ASP CA C 57.755 0.400 1 798 60 62 ASP CB C 40.828 0.400 1 799 60 62 ASP CG C 178.880 0.400 1 800 60 62 ASP N N 120.070 0.400 1 801 61 63 VAL H H 7.524 0.020 1 802 61 63 VAL HA H 3.771 0.020 1 803 61 63 VAL HB H 2.313 0.020 1 804 61 63 VAL HG1 H 1.166 0.020 2 805 61 63 VAL HG2 H 1.030 0.020 2 806 61 63 VAL C C 179.086 0.400 1 807 61 63 VAL CA C 66.470 0.400 1 808 61 63 VAL CB C 32.550 0.400 1 809 61 63 VAL CG1 C 22.556 0.400 1 810 61 63 VAL CG2 C 21.328 0.400 1 811 61 63 VAL N N 119.620 0.400 1 812 62 64 VAL H H 8.057 0.020 1 813 62 64 VAL HA H 3.864 0.020 1 814 62 64 VAL HB H 2.242 0.020 1 815 62 64 VAL HG1 H 1.146 0.020 2 816 62 64 VAL HG2 H 1.159 0.020 2 817 62 64 VAL C C 178.300 0.400 1 818 62 64 VAL CA C 66.357 0.400 1 819 62 64 VAL CB C 32.060 0.400 1 820 62 64 VAL CG1 C 23.313 0.400 1 821 62 64 VAL CG2 C 23.305 0.400 1 822 62 64 VAL N N 120.486 0.400 1 823 63 65 CYS H H 8.992 0.020 1 824 63 65 CYS HA H 3.937 0.020 1 825 63 65 CYS HB2 H 3.113 0.020 2 826 63 65 CYS HB3 H 2.961 0.020 2 827 63 65 CYS C C 176.452 0.400 1 828 63 65 CYS CA C 64.682 0.400 1 829 63 65 CYS CB C 26.589 0.400 1 830 63 65 CYS N N 118.966 0.400 1 831 64 66 ALA H H 7.905 0.020 1 832 64 66 ALA HA H 4.242 0.020 1 833 64 66 ALA HB H 1.546 0.020 1 834 64 66 ALA C C 181.221 0.400 1 835 64 66 ALA CA C 55.338 0.400 1 836 64 66 ALA CB C 17.701 0.400 1 837 64 66 ALA N N 120.501 0.400 1 838 65 67 MET H H 7.858 0.020 1 839 65 67 MET HA H 4.106 0.020 1 840 65 67 MET HB2 H 2.669 0.020 2 841 65 67 MET HB3 H 2.376 0.020 2 842 65 67 MET HG2 H 2.177 0.020 1 843 65 67 MET HG3 H 2.177 0.020 1 844 65 67 MET HE H 2.132 0.020 1 845 65 67 MET C C 178.982 0.400 1 846 65 67 MET CA C 58.919 0.400 1 847 65 67 MET CB C 31.371 0.400 1 848 65 67 MET CG C 32.612 0.400 1 849 65 67 MET CE C 16.404 0.400 1 850 65 67 MET N N 119.880 0.400 1 851 66 68 ILE H H 8.327 0.020 1 852 66 68 ILE HA H 3.781 0.020 1 853 66 68 ILE HB H 2.094 0.020 1 854 66 68 ILE HG12 H 1.473 0.020 1 855 66 68 ILE HG13 H 1.473 0.020 1 856 66 68 ILE HG2 H 1.002 0.020 1 857 66 68 ILE HD1 H 0.729 0.020 1 858 66 68 ILE C C 178.200 0.400 1 859 66 68 ILE CA C 63.257 0.400 1 860 66 68 ILE CB C 36.291 0.400 1 861 66 68 ILE CG1 C 27.656 0.400 1 862 66 68 ILE CG2 C 18.963 0.400 1 863 66 68 ILE CD1 C 12.153 0.400 1 864 66 68 ILE N N 120.365 0.400 1 865 67 69 GLU H H 9.234 0.020 1 866 67 69 GLU HA H 4.080 0.020 1 867 67 69 GLU HB2 H 2.208 0.020 2 868 67 69 GLU HB3 H 2.035 0.020 2 869 67 69 GLU HG2 H 2.568 0.020 1 870 67 69 GLU HG3 H 2.568 0.020 1 871 67 69 GLU C C 180.934 0.400 1 872 67 69 GLU CA C 60.225 0.400 1 873 67 69 GLU CB C 29.603 0.400 1 874 67 69 GLU CG C 37.754 0.400 1 875 67 69 GLU CD C 183.393 0.400 1 876 67 69 GLU N N 121.413 0.400 1 877 68 70 GLY H H 8.261 0.020 1 878 68 70 GLY HA2 H 3.966 0.020 1 879 68 70 GLY HA3 H 3.966 0.020 1 880 68 70 GLY C C 176.647 0.400 1 881 68 70 GLY CA C 46.912 0.400 1 882 68 70 GLY N N 107.891 0.400 1 883 69 71 ALA H H 7.834 0.020 1 884 69 71 ALA HA H 4.075 0.020 1 885 69 71 ALA HB H 1.499 0.020 1 886 69 71 ALA C C 179.089 0.400 1 887 69 71 ALA CA C 55.200 0.400 1 888 69 71 ALA CB C 17.387 0.400 1 889 69 71 ALA N N 126.434 0.400 1 890 70 72 GLN H H 8.912 0.020 1 891 70 72 GLN HA H 3.942 0.020 1 892 70 72 GLN HB2 H 2.250 0.020 1 893 70 72 GLN HB3 H 2.250 0.020 1 894 70 72 GLN HG2 H 2.518 0.020 1 895 70 72 GLN HG3 H 2.518 0.020 1 896 70 72 GLN HE21 H 7.386 0.020 2 897 70 72 GLN HE22 H 6.532 0.020 2 898 70 72 GLN C C 179.131 0.400 1 899 70 72 GLN CA C 60.087 0.400 1 900 70 72 GLN CB C 28.993 0.400 1 901 70 72 GLN CG C 34.654 0.400 1 902 70 72 GLN CD C 179.069 0.400 1 903 70 72 GLN N N 117.646 0.400 1 904 70 72 GLN NE2 N 108.306 0.400 1 905 71 73 GLY H H 8.363 0.020 1 906 71 73 GLY HA2 H 3.978 0.020 2 907 71 73 GLY HA3 H 3.895 0.020 2 908 71 73 GLY C C 176.342 0.400 1 909 71 73 GLY CA C 46.975 0.400 1 910 71 73 GLY N N 106.241 0.400 1 911 72 74 ALA H H 7.681 0.020 1 912 72 74 ALA HA H 4.131 0.020 1 913 72 74 ALA HB H 1.503 0.020 1 914 72 74 ALA C C 180.473 0.400 1 915 72 74 ALA CA C 55.188 0.400 1 916 72 74 ALA CB C 18.193 0.400 1 917 72 74 ALA N N 124.756 0.400 1 918 73 75 LEU H H 8.125 0.020 1 919 73 75 LEU HA H 3.692 0.020 1 920 73 75 LEU HB2 H 2.105 0.020 1 921 73 75 LEU HB3 H 2.105 0.020 1 922 73 75 LEU HG H 1.233 0.020 1 923 73 75 LEU HD1 H 0.941 0.020 2 924 73 75 LEU HD2 H 0.941 0.020 2 925 73 75 LEU C C 177.980 0.400 1 926 73 75 LEU CA C 58.070 0.400 1 927 73 75 LEU CB C 41.825 0.400 1 928 73 75 LEU CG C 27.022 0.400 1 929 73 75 LEU CD1 C 24.000 0.400 1 930 73 75 LEU CD2 C 24.000 0.400 1 931 73 75 LEU N N 119.460 0.400 1 932 74 76 GLU H H 8.421 0.020 1 933 74 76 GLU HA H 3.818 0.020 1 934 74 76 GLU HB2 H 2.188 0.020 1 935 74 76 GLU HB3 H 2.188 0.020 1 936 74 76 GLU HG2 H 2.396 0.020 1 937 74 76 GLU HG3 H 2.396 0.020 1 938 74 76 GLU C C 179.180 0.400 1 939 74 76 GLU CA C 59.673 0.400 1 940 74 76 GLU CB C 29.613 0.400 1 941 74 76 GLU CG C 36.584 0.400 1 942 74 76 GLU CD C 183.585 0.400 1 943 74 76 GLU N N 118.120 0.400 1 944 75 77 ARG H H 7.728 0.020 1 945 75 77 ARG HA H 3.946 0.020 1 946 75 77 ARG HB2 H 1.975 0.020 1 947 75 77 ARG HB3 H 1.975 0.020 1 948 75 77 ARG HG2 H 1.478 0.020 1 949 75 77 ARG HG3 H 1.478 0.020 1 950 75 77 ARG HD2 H 3.240 0.020 1 951 75 77 ARG HD3 H 3.240 0.020 1 952 75 77 ARG C C 179.761 0.400 1 953 75 77 ARG CA C 59.709 0.400 1 954 75 77 ARG CB C 31.184 0.400 1 955 75 77 ARG CG C 27.968 0.400 1 956 75 77 ARG CD C 43.783 0.400 1 957 75 77 ARG N N 117.446 0.400 1 958 76 78 GLU H H 7.794 0.020 1 959 76 78 GLU HA H 3.982 0.020 1 960 76 78 GLU HB2 H 1.729 0.020 1 961 76 78 GLU HB3 H 1.729 0.020 1 962 76 78 GLU HG2 H 2.212 0.020 1 963 76 78 GLU HG3 H 2.212 0.020 1 964 76 78 GLU C C 178.952 0.400 1 965 76 78 GLU CA C 58.723 0.400 1 966 76 78 GLU CB C 29.451 0.400 1 967 76 78 GLU CG C 35.902 0.400 1 968 76 78 GLU CD C 183.887 0.400 1 969 76 78 GLU N N 121.004 0.400 1 970 77 79 LEU H H 8.004 0.020 1 971 77 79 LEU HA H 4.104 0.020 1 972 77 79 LEU HB2 H 1.601 0.020 1 973 77 79 LEU HB3 H 1.601 0.020 1 974 77 79 LEU HG H 1.182 0.020 1 975 77 79 LEU HD1 H 0.760 0.020 2 976 77 79 LEU HD2 H 0.760 0.020 2 977 77 79 LEU C C 178.428 0.400 1 978 77 79 LEU CA C 56.868 0.400 1 979 77 79 LEU CB C 42.403 0.400 1 980 77 79 LEU CG C 28.193 0.400 1 981 77 79 LEU CD1 C 25.341 0.400 1 982 77 79 LEU CD2 C 25.341 0.400 1 983 77 79 LEU N N 115.589 0.400 1 984 78 80 LYS H H 7.352 0.020 1 985 78 80 LYS HA H 4.228 0.020 1 986 78 80 LYS HB2 H 1.938 0.020 1 987 78 80 LYS HB3 H 1.938 0.020 1 988 78 80 LYS HG2 H 1.533 0.020 1 989 78 80 LYS HG3 H 1.533 0.020 1 990 78 80 LYS HD2 H 1.722 0.020 1 991 78 80 LYS HD3 H 1.722 0.020 1 992 78 80 LYS HE2 H 2.996 0.020 1 993 78 80 LYS HE3 H 2.996 0.020 1 994 78 80 LYS C C 178.210 0.400 1 995 78 80 LYS CA C 57.281 0.400 1 996 78 80 LYS CB C 32.735 0.400 1 997 78 80 LYS CG C 25.313 0.400 1 998 78 80 LYS CD C 29.178 0.400 1 999 78 80 LYS CE C 42.088 0.400 1 1000 78 80 LYS N N 117.594 0.400 1 1001 79 81 ARG H H 7.845 0.020 1 1002 79 81 ARG HA H 4.231 0.020 1 1003 79 81 ARG HB2 H 2.032 0.020 1 1004 79 81 ARG HB3 H 2.032 0.020 1 1005 79 81 ARG HG2 H 1.446 0.020 1 1006 79 81 ARG HG3 H 1.446 0.020 1 1007 79 81 ARG HD2 H 3.000 0.020 1 1008 79 81 ARG HD3 H 3.000 0.020 1 1009 79 81 ARG C C 177.779 0.400 1 1010 79 81 ARG CA C 57.721 0.400 1 1011 79 81 ARG CB C 32.012 0.400 1 1012 79 81 ARG CG C 25.499 0.400 1 1013 79 81 ARG CD C 42.107 0.400 1 1014 79 81 ARG N N 119.646 0.400 1 1015 80 82 THR H H 8.689 0.020 1 1016 80 82 THR HA H 4.481 0.020 1 1017 80 82 THR HB H 4.582 0.020 1 1018 80 82 THR HG2 H 1.280 0.020 1 1019 80 82 THR C C 175.497 0.400 1 1020 80 82 THR CA C 61.571 0.400 1 1021 80 82 THR CB C 69.049 0.400 1 1022 80 82 THR CG2 C 21.646 0.400 1 1023 80 82 THR N N 109.116 0.400 1 1024 81 83 ASP H H 8.630 0.020 1 1025 81 83 ASP HA H 4.754 0.020 1 1026 81 83 ASP HB2 H 3.029 0.020 2 1027 81 83 ASP HB3 H 2.540 0.020 2 1028 81 83 ASP C C 176.331 0.400 1 1029 81 83 ASP CA C 53.242 0.400 1 1030 81 83 ASP CB C 40.340 0.400 1 1031 81 83 ASP CG C 178.731 0.400 1 1032 81 83 ASP N N 120.162 0.400 1 1033 82 84 LEU H H 7.102 0.020 1 1034 82 84 LEU HA H 4.493 0.020 1 1035 82 84 LEU HB2 H 1.705 0.020 1 1036 82 84 LEU HB3 H 1.705 0.020 1 1037 82 84 LEU HG H 1.559 0.020 1 1038 82 84 LEU HD1 H 0.926 0.020 2 1039 82 84 LEU HD2 H 0.926 0.020 2 1040 82 84 LEU C C 178.415 0.400 1 1041 82 84 LEU CA C 54.479 0.400 1 1042 82 84 LEU CB C 43.014 0.400 1 1043 82 84 LEU CG C 26.573 0.400 1 1044 82 84 LEU CD1 C 22.851 0.400 1 1045 82 84 LEU CD2 C 22.851 0.400 1 1046 82 84 LEU N N 118.527 0.400 1 1047 83 85 ASN H H 9.477 0.020 1 1048 83 85 ASN HA H 4.789 0.020 1 1049 83 85 ASN HB2 H 3.235 0.020 2 1050 83 85 ASN HB3 H 2.853 0.020 2 1051 83 85 ASN HD21 H 7.681 0.020 2 1052 83 85 ASN HD22 H 7.082 0.020 2 1053 83 85 ASN C C 175.907 0.400 1 1054 83 85 ASN CA C 52.925 0.400 1 1055 83 85 ASN CB C 38.882 0.400 1 1056 83 85 ASN CG C 176.095 0.400 1 1057 83 85 ASN N N 124.009 0.400 1 1058 83 85 ASN ND2 N 112.956 0.400 1 1059 84 86 ILE H H 8.254 0.020 1 1060 84 86 ILE HA H 3.858 0.020 1 1061 84 86 ILE HB H 1.846 0.020 1 1062 84 86 ILE HG12 H 1.559 0.020 2 1063 84 86 ILE HG13 H 1.250 0.020 2 1064 84 86 ILE HG2 H 0.948 0.020 1 1065 84 86 ILE HD1 H 0.920 0.020 1 1066 84 86 ILE C C 177.659 0.400 1 1067 84 86 ILE CA C 64.710 0.400 1 1068 84 86 ILE CB C 38.174 0.400 1 1069 84 86 ILE CG1 C 28.475 0.400 1 1070 84 86 ILE CG2 C 17.284 0.400 1 1071 84 86 ILE CD1 C 13.515 0.400 1 1072 84 86 ILE N N 119.021 0.400 1 1073 85 87 LEU H H 7.937 0.020 1 1074 85 87 LEU HA H 4.225 0.020 1 1075 85 87 LEU HB2 H 1.666 0.020 1 1076 85 87 LEU HB3 H 1.666 0.020 1 1077 85 87 LEU HG H 1.438 0.020 1 1078 85 87 LEU HD1 H 0.945 0.020 2 1079 85 87 LEU HD2 H 0.945 0.020 2 1080 85 87 LEU C C 179.151 0.400 1 1081 85 87 LEU CA C 57.606 0.400 1 1082 85 87 LEU CB C 41.500 0.400 1 1083 85 87 LEU CG C 27.054 0.400 1 1084 85 87 LEU CD1 C 23.986 0.400 1 1085 85 87 LEU CD2 C 23.986 0.400 1 1086 85 87 LEU N N 122.532 0.400 1 1087 86 88 GLU H H 8.208 0.020 1 1088 86 88 GLU HA H 3.770 0.020 1 1089 86 88 GLU HB2 H 2.137 0.020 1 1090 86 88 GLU HB3 H 2.137 0.020 1 1091 86 88 GLU HG2 H 2.321 0.020 1 1092 86 88 GLU HG3 H 2.321 0.020 1 1093 86 88 GLU C C 178.360 0.400 1 1094 86 88 GLU CA C 58.999 0.400 1 1095 86 88 GLU CB C 30.448 0.400 1 1096 86 88 GLU CG C 36.998 0.400 1 1097 86 88 GLU CD C 183.509 0.400 1 1098 86 88 GLU N N 120.246 0.400 1 1099 87 89 ARG H H 8.300 0.020 1 1100 87 89 ARG HA H 4.185 0.020 1 1101 87 89 ARG HB2 H 2.144 0.020 1 1102 87 89 ARG HB3 H 2.144 0.020 1 1103 87 89 ARG HG2 H 1.968 0.020 1 1104 87 89 ARG HG3 H 1.968 0.020 1 1105 87 89 ARG HD2 H 3.266 0.020 1 1106 87 89 ARG HD3 H 3.266 0.020 1 1107 87 89 ARG C C 177.619 0.400 1 1108 87 89 ARG CA C 60.891 0.400 1 1109 87 89 ARG CB C 30.854 0.400 1 1110 87 89 ARG CG C 29.364 0.400 1 1111 87 89 ARG CD C 43.182 0.400 1 1112 87 89 ARG N N 117.326 0.400 1 1113 88 90 PHE H H 8.098 0.020 1 1114 88 90 PHE HA H 4.353 0.020 1 1115 88 90 PHE HB2 H 3.276 0.020 1 1116 88 90 PHE HB3 H 3.276 0.020 1 1117 88 90 PHE HD1 H 7.291 0.020 1 1118 88 90 PHE HD2 H 7.291 0.020 1 1119 88 90 PHE HE1 H 7.326 0.020 1 1120 88 90 PHE HE2 H 7.326 0.020 1 1121 88 90 PHE HZ H 7.269 0.020 5 1122 88 90 PHE C C 177.952 0.400 1 1123 88 90 PHE CA C 61.170 0.400 1 1124 88 90 PHE CB C 38.975 0.400 1 1125 88 90 PHE CD1 C 131.660 0.400 1 1126 88 90 PHE CD2 C 131.660 0.400 1 1127 88 90 PHE CE1 C 131.637 0.400 1 1128 88 90 PHE CE2 C 131.637 0.400 1 1129 88 90 PHE CZ C 129.908 0.400 5 1130 88 90 PHE N N 118.261 0.400 1 1131 89 91 ASN H H 8.355 0.020 1 1132 89 91 ASN HA H 4.417 0.020 1 1133 89 91 ASN HB2 H 2.838 0.020 2 1134 89 91 ASN HB3 H 2.652 0.020 2 1135 89 91 ASN HD21 H 6.996 0.020 2 1136 89 91 ASN HD22 H 7.339 0.020 2 1137 89 91 ASN C C 179.406 0.400 1 1138 89 91 ASN CA C 56.218 0.400 1 1139 89 91 ASN CB C 37.959 0.400 1 1140 89 91 ASN CG C 175.370 0.400 1 1141 89 91 ASN N N 117.684 0.400 1 1142 89 91 ASN ND2 N 111.090 0.400 1 1143 90 92 TYR H H 8.466 0.020 1 1144 90 92 TYR HA H 4.559 0.020 1 1145 90 92 TYR HB2 H 3.294 0.020 1 1146 90 92 TYR HB3 H 3.294 0.020 1 1147 90 92 TYR HD1 H 6.906 0.020 1 1148 90 92 TYR HD2 H 6.906 0.020 1 1149 90 92 TYR HE1 H 6.738 0.020 1 1150 90 92 TYR HE2 H 6.738 0.020 1 1151 90 92 TYR C C 178.421 0.400 1 1152 90 92 TYR CA C 59.627 0.400 1 1153 90 92 TYR CB C 37.436 0.400 1 1154 90 92 TYR CD1 C 131.525 0.400 1 1155 90 92 TYR CD2 C 131.525 0.400 1 1156 90 92 TYR CE1 C 118.361 0.400 1 1157 90 92 TYR CE2 C 118.361 0.400 1 1158 90 92 TYR N N 120.848 0.400 1 1159 91 93 GLU H H 8.972 0.020 1 1160 91 93 GLU HA H 4.040 0.020 1 1161 91 93 GLU HB2 H 1.915 0.020 1 1162 91 93 GLU HB3 H 1.915 0.020 1 1163 91 93 GLU HG2 H 2.186 0.020 1 1164 91 93 GLU HG3 H 2.186 0.020 1 1165 91 93 GLU C C 180.000 0.400 1 1166 91 93 GLU CA C 60.199 0.400 1 1167 91 93 GLU CB C 29.293 0.400 1 1168 91 93 GLU CG C 37.108 0.400 1 1169 91 93 GLU CD C 183.434 0.400 1 1170 91 93 GLU N N 120.875 0.400 1 1171 92 94 GLU H H 8.422 0.020 1 1172 92 94 GLU HA H 4.005 0.020 1 1173 92 94 GLU HB2 H 1.959 0.020 1 1174 92 94 GLU HB3 H 1.959 0.020 1 1175 92 94 GLU HG2 H 2.317 0.020 1 1176 92 94 GLU HG3 H 2.317 0.020 1 1177 92 94 GLU C C 179.014 0.400 1 1178 92 94 GLU CA C 59.685 0.400 1 1179 92 94 GLU CB C 29.597 0.400 1 1180 92 94 GLU CG C 36.871 0.400 1 1181 92 94 GLU CD C 183.863 0.400 1 1182 92 94 GLU N N 120.923 0.400 1 1183 93 95 ALA H H 7.702 0.020 1 1184 93 95 ALA HA H 4.245 0.020 1 1185 93 95 ALA HB H 1.542 0.020 1 1186 93 95 ALA C C 179.790 0.400 1 1187 93 95 ALA CA C 55.113 0.400 1 1188 93 95 ALA CB C 18.015 0.400 1 1189 93 95 ALA N N 121.803 0.400 1 1190 94 96 GLN H H 8.764 0.020 1 1191 94 96 GLN HA H 3.972 0.020 1 1192 94 96 GLN HB2 H 2.021 0.020 1 1193 94 96 GLN HB3 H 2.021 0.020 1 1194 94 96 GLN HG2 H 2.433 0.020 1 1195 94 96 GLN HG3 H 2.433 0.020 1 1196 94 96 GLN HE21 H 7.467 0.020 2 1197 94 96 GLN HE22 H 6.671 0.020 2 1198 94 96 GLN C C 178.990 0.400 1 1199 94 96 GLN CA C 59.676 0.400 1 1200 94 96 GLN CB C 30.193 0.400 1 1201 94 96 GLN CG C 34.309 0.400 1 1202 94 96 GLN CD C 178.729 0.400 1 1203 94 96 GLN N N 120.705 0.400 1 1204 94 96 GLN NE2 N 109.785 0.400 1 1205 95 97 THR H H 8.724 0.020 1 1206 95 97 THR HA H 4.416 0.020 1 1207 95 97 THR HB H 3.838 0.020 1 1208 95 97 THR HG2 H 1.267 0.020 1 1209 95 97 THR C C 176.359 0.400 1 1210 95 97 THR CA C 68.447 0.400 1 1211 95 97 THR CB C 67.077 0.400 1 1212 95 97 THR CG2 C 21.796 0.400 1 1213 95 97 THR N N 119.971 0.400 1 1214 96 98 LEU H H 8.154 0.020 1 1215 96 98 LEU HA H 4.125 0.020 1 1216 96 98 LEU HB2 H 1.924 0.020 1 1217 96 98 LEU HB3 H 1.924 0.020 1 1218 96 98 LEU HG H 1.649 0.020 1 1219 96 98 LEU HD1 H 0.947 0.020 2 1220 96 98 LEU HD2 H 0.947 0.020 2 1221 96 98 LEU C C 180.271 0.400 1 1222 96 98 LEU CA C 58.232 0.400 1 1223 96 98 LEU CB C 41.856 0.400 1 1224 96 98 LEU CG C 27.223 0.400 1 1225 96 98 LEU CD1 C 24.465 0.400 1 1226 96 98 LEU CD2 C 24.465 0.400 1 1227 96 98 LEU N N 121.275 0.400 1 1228 97 99 SER H H 8.608 0.020 1 1229 97 99 SER HA H 3.990 0.020 1 1230 97 99 SER HB2 H 3.849 0.020 1 1231 97 99 SER HB3 H 3.849 0.020 1 1232 97 99 SER C C 175.037 0.400 1 1233 97 99 SER CA C 62.880 0.400 1 1234 97 99 SER CB C 61.605 0.400 1 1235 97 99 SER N N 115.851 0.400 1 1236 98 100 LYS H H 7.798 0.020 1 1237 98 100 LYS HA H 4.012 0.020 1 1238 98 100 LYS HB2 H 2.027 0.020 1 1239 98 100 LYS HB3 H 2.027 0.020 1 1240 98 100 LYS HG2 H 1.709 0.020 1 1241 98 100 LYS HG3 H 1.709 0.020 1 1242 98 100 LYS HD2 H 1.948 0.020 1 1243 98 100 LYS HD3 H 1.948 0.020 1 1244 98 100 LYS HE2 H 2.985 0.020 1 1245 98 100 LYS HE3 H 2.985 0.020 1 1246 98 100 LYS C C 180.028 0.400 1 1247 98 100 LYS CA C 60.040 0.400 1 1248 98 100 LYS CB C 32.619 0.400 1 1249 98 100 LYS CG C 26.209 0.400 1 1250 98 100 LYS CD C 29.683 0.400 1 1251 98 100 LYS CE C 41.868 0.400 1 1252 98 100 LYS N N 122.557 0.400 1 1253 99 101 ILE H H 7.840 0.020 1 1254 99 101 ILE HA H 3.676 0.020 1 1255 99 101 ILE HB H 1.954 0.020 1 1256 99 101 ILE HG12 H 1.808 0.020 2 1257 99 101 ILE HG13 H 1.145 0.020 2 1258 99 101 ILE HG2 H 0.960 0.020 1 1259 99 101 ILE HD1 H 0.876 0.020 1 1260 99 101 ILE C C 177.729 0.400 1 1261 99 101 ILE CA C 65.423 0.400 1 1262 99 101 ILE CB C 38.660 0.400 1 1263 99 101 ILE CG1 C 29.250 0.400 1 1264 99 101 ILE CG2 C 17.364 0.400 1 1265 99 101 ILE CD1 C 13.596 0.400 1 1266 99 101 ILE N N 122.504 0.400 1 1267 100 102 LEU H H 7.977 0.020 1 1268 100 102 LEU HA H 4.306 0.020 1 1269 100 102 LEU HB2 H 1.825 0.020 1 1270 100 102 LEU HB3 H 1.825 0.020 1 1271 100 102 LEU HG H 1.685 0.020 1 1272 100 102 LEU HD1 H 0.954 0.020 2 1273 100 102 LEU HD2 H 0.954 0.020 2 1274 100 102 LEU C C 179.032 0.400 1 1275 100 102 LEU CA C 57.884 0.400 1 1276 100 102 LEU CB C 42.169 0.400 1 1277 100 102 LEU CG C 27.460 0.400 1 1278 100 102 LEU CD1 C 24.834 0.400 1 1279 100 102 LEU CD2 C 24.834 0.400 1 1280 100 102 LEU N N 120.384 0.400 1 1281 101 103 LEU H H 8.383 0.020 1 1282 101 103 LEU HA H 4.141 0.020 1 1283 101 103 LEU HB2 H 1.802 0.020 1 1284 101 103 LEU HB3 H 1.802 0.020 1 1285 101 103 LEU HG H 1.717 0.020 1 1286 101 103 LEU HD1 H 0.963 0.020 2 1287 101 103 LEU HD2 H 0.963 0.020 2 1288 101 103 LEU C C 178.667 0.400 1 1289 101 103 LEU CA C 58.233 0.400 1 1290 101 103 LEU CB C 41.815 0.400 1 1291 101 103 LEU CG C 27.421 0.400 1 1292 101 103 LEU CD1 C 24.977 0.400 1 1293 101 103 LEU CD2 C 24.977 0.400 1 1294 101 103 LEU N N 118.124 0.400 1 1295 102 104 LYS H H 7.728 0.020 1 1296 102 104 LYS HA H 4.077 0.020 1 1297 102 104 LYS HB2 H 2.149 0.020 2 1298 102 104 LYS HB3 H 1.954 0.020 2 1299 102 104 LYS HG2 H 1.473 0.020 1 1300 102 104 LYS HG3 H 1.473 0.020 1 1301 102 104 LYS HD2 H 1.701 0.020 1 1302 102 104 LYS HD3 H 1.701 0.020 1 1303 102 104 LYS HE2 H 2.993 0.020 1 1304 102 104 LYS HE3 H 2.993 0.020 1 1305 102 104 LYS C C 179.451 0.400 1 1306 102 104 LYS CA C 59.951 0.400 1 1307 102 104 LYS CB C 31.808 0.400 1 1308 102 104 LYS CG C 24.306 0.400 1 1309 102 104 LYS CD C 29.100 0.400 1 1310 102 104 LYS CE C 41.940 0.400 1 1311 102 104 LYS N N 119.924 0.400 1 1312 103 105 ASP H H 8.236 0.020 1 1313 103 105 ASP HA H 4.547 0.020 1 1314 103 105 ASP HB2 H 2.877 0.020 2 1315 103 105 ASP HB3 H 2.630 0.020 2 1316 103 105 ASP C C 180.870 0.400 1 1317 103 105 ASP CA C 57.684 0.400 1 1318 103 105 ASP CB C 40.717 0.400 1 1319 103 105 ASP CG C 178.214 0.400 1 1320 103 105 ASP N N 121.533 0.400 1 1321 104 106 LEU H H 9.222 0.020 1 1322 104 106 LEU HA H 3.864 0.020 1 1323 104 106 LEU HB2 H 2.164 0.020 1 1324 104 106 LEU HB3 H 2.164 0.020 1 1325 104 106 LEU HG H 1.436 0.020 1 1326 104 106 LEU HD1 H 0.950 0.020 2 1327 104 106 LEU HD2 H 0.950 0.020 2 1328 104 106 LEU C C 178.997 0.400 1 1329 104 106 LEU CA C 59.177 0.400 1 1330 104 106 LEU CB C 42.580 0.400 1 1331 104 106 LEU CG C 27.266 0.400 1 1332 104 106 LEU CD1 C 24.366 0.400 1 1333 104 106 LEU CD2 C 24.366 0.400 1 1334 104 106 LEU N N 125.108 0.400 1 1335 105 107 LYS H H 8.620 0.020 1 1336 105 107 LYS HA H 4.349 0.020 1 1337 105 107 LYS HB2 H 2.135 0.020 1 1338 105 107 LYS HB3 H 2.135 0.020 1 1339 105 107 LYS HG2 H 1.634 0.020 1 1340 105 107 LYS HG3 H 1.634 0.020 1 1341 105 107 LYS HD2 H 1.890 0.020 1 1342 105 107 LYS HD3 H 1.890 0.020 1 1343 105 107 LYS HE2 H 3.268 0.020 1 1344 105 107 LYS HE3 H 3.268 0.020 1 1345 105 107 LYS C C 180.467 0.400 1 1346 105 107 LYS CA C 58.367 0.400 1 1347 105 107 LYS CB C 31.422 0.400 1 1348 105 107 LYS CG C 24.914 0.400 1 1349 105 107 LYS CD C 30.885 0.400 1 1350 105 107 LYS CE C 43.782 0.400 1 1351 105 107 LYS N N 119.758 0.400 1 1352 106 108 GLU H H 8.450 0.020 1 1353 106 108 GLU HA H 4.171 0.020 1 1354 106 108 GLU HB2 H 2.257 0.020 1 1355 106 108 GLU HB3 H 2.257 0.020 1 1356 106 108 GLU HG2 H 2.544 0.020 1 1357 106 108 GLU HG3 H 2.544 0.020 1 1358 106 108 GLU C C 179.588 0.400 1 1359 106 108 GLU CA C 59.687 0.400 1 1360 106 108 GLU CB C 29.385 0.400 1 1361 106 108 GLU CG C 36.896 0.400 1 1362 106 108 GLU CD C 183.828 0.400 1 1363 106 108 GLU N N 121.953 0.400 1 1364 107 109 THR H H 8.053 0.020 1 1365 107 109 THR HA H 4.454 0.020 1 1366 107 109 THR HB H 3.831 0.020 1 1367 107 109 THR HG2 H 1.116 0.020 1 1368 107 109 THR C C 175.178 0.400 1 1369 107 109 THR CA C 67.990 0.400 1 1370 107 109 THR CB C 67.742 0.400 1 1371 107 109 THR CG2 C 21.124 0.400 1 1372 107 109 THR N N 117.794 0.400 1 1373 108 110 GLU H H 8.662 0.020 1 1374 108 110 GLU HA H 3.561 0.020 1 1375 108 110 GLU HB2 H 2.398 0.020 1 1376 108 110 GLU HB3 H 2.398 0.020 1 1377 108 110 GLU HG2 H 2.048 0.020 1 1378 108 110 GLU HG3 H 2.048 0.020 1 1379 108 110 GLU C C 177.378 0.400 1 1380 108 110 GLU CA C 60.130 0.400 1 1381 108 110 GLU CB C 29.643 0.400 1 1382 108 110 GLU CG C 35.925 0.400 1 1383 108 110 GLU CD C 183.811 0.400 1 1384 108 110 GLU N N 122.204 0.400 1 1385 109 111 GLN H H 7.759 0.020 1 1386 109 111 GLN HA H 3.869 0.020 1 1387 109 111 GLN HB2 H 2.232 0.020 1 1388 109 111 GLN HB3 H 2.232 0.020 1 1389 109 111 GLN HG2 H 2.438 0.020 1 1390 109 111 GLN HG3 H 2.438 0.020 1 1391 109 111 GLN HE21 H 7.599 0.020 2 1392 109 111 GLN HE22 H 6.929 0.020 2 1393 109 111 GLN C C 177.759 0.400 1 1394 109 111 GLN CA C 58.889 0.400 1 1395 109 111 GLN CB C 28.242 0.400 1 1396 109 111 GLN CG C 33.623 0.400 1 1397 109 111 GLN CD C 180.690 0.400 1 1398 109 111 GLN N N 117.537 0.400 1 1399 109 111 GLN NE2 N 113.505 0.400 1 1400 110 112 LYS H H 7.640 0.020 1 1401 110 112 LYS HA H 4.074 0.020 1 1402 110 112 LYS HB2 H 2.073 0.020 1 1403 110 112 LYS HB3 H 2.073 0.020 1 1404 110 112 LYS HG2 H 1.508 0.020 1 1405 110 112 LYS HG3 H 1.508 0.020 1 1406 110 112 LYS HD2 H 1.917 0.020 1 1407 110 112 LYS HD3 H 1.917 0.020 1 1408 110 112 LYS HE2 H 2.995 0.020 1 1409 110 112 LYS HE3 H 2.995 0.020 1 1410 110 112 LYS C C 179.975 0.400 1 1411 110 112 LYS CA C 59.774 0.400 1 1412 110 112 LYS CB C 33.163 0.400 1 1413 110 112 LYS CG C 26.598 0.400 1 1414 110 112 LYS CD C 30.006 0.400 1 1415 110 112 LYS CE C 42.901 0.400 1 1416 110 112 LYS N N 117.393 0.400 1 1417 111 113 VAL H H 8.278 0.020 1 1418 111 113 VAL HA H 3.538 0.020 1 1419 111 113 VAL HB H 2.272 0.020 1 1420 111 113 VAL HG1 H 1.088 0.020 2 1421 111 113 VAL HG2 H 0.925 0.020 2 1422 111 113 VAL C C 178.721 0.400 1 1423 111 113 VAL CA C 65.796 0.400 1 1424 111 113 VAL CB C 31.938 0.400 1 1425 111 113 VAL CG1 C 24.415 0.400 1 1426 111 113 VAL CG2 C 22.703 0.400 1 1427 111 113 VAL N N 118.110 0.400 1 1428 112 114 LYS H H 8.195 0.020 1 1429 112 114 LYS HA H 3.870 0.020 1 1430 112 114 LYS HB2 H 1.888 0.020 1 1431 112 114 LYS HB3 H 1.888 0.020 1 1432 112 114 LYS HG2 H 1.428 0.020 1 1433 112 114 LYS HG3 H 1.428 0.020 1 1434 112 114 LYS HD2 H 1.672 0.020 1 1435 112 114 LYS HD3 H 1.672 0.020 1 1436 112 114 LYS HE2 H 2.895 0.020 1 1437 112 114 LYS HE3 H 2.895 0.020 1 1438 112 114 LYS C C 177.349 0.400 1 1439 112 114 LYS CA C 59.632 0.400 1 1440 112 114 LYS CB C 32.590 0.400 1 1441 112 114 LYS CG C 26.747 0.400 1 1442 112 114 LYS CD C 29.748 0.400 1 1443 112 114 LYS CE C 42.079 0.400 1 1444 112 114 LYS N N 118.857 0.400 1 1445 113 115 ASP H H 7.644 0.020 1 1446 113 115 ASP HA H 4.563 0.020 1 1447 113 115 ASP HB2 H 2.728 0.020 1 1448 113 115 ASP HB3 H 2.728 0.020 1 1449 113 115 ASP C C 176.939 0.400 1 1450 113 115 ASP CA C 55.228 0.400 1 1451 113 115 ASP CB C 41.586 0.400 1 1452 113 115 ASP CG C 178.752 0.400 1 1453 113 115 ASP N N 117.329 0.400 1 1454 114 116 ILE H H 7.006 0.020 1 1455 114 116 ILE HA H 3.854 0.020 1 1456 114 116 ILE HB H 1.745 0.020 1 1457 114 116 ILE HG12 H 1.342 0.020 1 1458 114 116 ILE HG13 H 1.342 0.020 1 1459 114 116 ILE HG2 H 0.737 0.020 1 1460 114 116 ILE HD1 H 0.796 0.020 1 1461 114 116 ILE C C 175.682 0.400 1 1462 114 116 ILE CA C 61.850 0.400 1 1463 114 116 ILE CB C 37.939 0.400 1 1464 114 116 ILE CG1 C 28.203 0.400 1 1465 114 116 ILE CG2 C 17.217 0.400 1 1466 114 116 ILE CD1 C 13.204 0.400 1 1467 114 116 ILE N N 121.139 0.400 1 1468 115 117 GLN H H 8.608 0.020 1 1469 115 117 GLN HA H 4.509 0.020 1 1470 115 117 GLN HB2 H 2.106 0.020 1 1471 115 117 GLN HB3 H 2.106 0.020 1 1472 115 117 GLN HG2 H 2.439 0.020 1 1473 115 117 GLN HG3 H 2.439 0.020 1 1474 115 117 GLN HE21 H 7.854 0.020 2 1475 115 117 GLN HE22 H 6.899 0.020 2 1476 115 117 GLN C C 175.906 0.400 1 1477 115 117 GLN CA C 55.422 0.400 1 1478 115 117 GLN CB C 28.262 0.400 1 1479 115 117 GLN CG C 33.926 0.400 1 1480 115 117 GLN CD C 180.571 0.400 1 1481 115 117 GLN N N 128.102 0.400 1 1482 115 117 GLN NE2 N 115.461 0.400 1 1483 116 118 THR H H 8.137 0.020 1 1484 116 118 THR HA H 4.606 0.020 1 1485 116 118 THR HB H 4.146 0.020 1 1486 116 118 THR HG2 H 0.825 0.020 1 1487 116 118 THR C C 174.093 0.400 1 1488 116 118 THR CA C 60.192 0.400 1 1489 116 118 THR CB C 71.239 0.400 1 1490 116 118 THR CG2 C 22.420 0.400 1 1491 116 118 THR N N 115.744 0.400 1 1492 117 119 GLN H H 8.435 0.020 1 1493 117 119 GLN HA H 4.387 0.020 1 1494 117 119 GLN HB2 H 2.186 0.020 2 1495 117 119 GLN HB3 H 2.044 0.020 2 1496 117 119 GLN HG2 H 2.359 0.020 1 1497 117 119 GLN HG3 H 2.359 0.020 1 1498 117 119 GLN HE21 H 6.840 0.020 2 1499 117 119 GLN HE22 H 7.572 0.020 2 1500 117 119 GLN C C 180.337 0.400 1 1501 117 119 GLN CA C 57.303 0.400 1 1502 117 119 GLN CB C 31.242 0.400 1 1503 117 119 GLN CG C 33.919 0.400 1 1504 117 119 GLN CD C 181.429 0.400 1 1505 117 119 GLN N N 122.453 0.400 1 1506 117 119 GLN NE2 N 112.078 0.400 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 137 '193,1121' '145,201,1129' stop_ save_