data_5389 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N assignments for the cold shock response protein Yfia ; _BMRB_accession_number 5389 _BMRB_flat_file_name bmr5389.str _Entry_type original _Submission_date 2002-06-09 _Accession_date 2002-06-10 _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 Kalinin Alexander . . 2 Rak Alexej . . 3 Shcherbakov Dimitry . . 4 Bayer Peter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 663 "13C chemical shifts" 490 "15N chemical shifts" 117 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-09-25 original author . stop_ _Original_release_date 2002-09-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the ribosome-associated cold shock response protein Yfia of Escherichia coli ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kalinin Alexander . . 2 Rak Alexej . . 3 Shcherbakov Dimitry . . 4 Bayer Peter . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 23 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 335 _Page_last 336 _Year 2002 _Details . loop_ _Keyword 'cold shock protein' stop_ save_ ################################## # Molecular system description # ################################## save_Yfia_RaiA _Saveframe_category molecular_system _Mol_system_name Yfia _Abbreviation_common 'Yfia, RaiA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Yfia subunit 1' $Yfia_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'cold shock response protein' 'translation inhibitor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Yfia_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cold shock response protein Yfia' _Abbreviation_common 'protein Y' _Molecular_mass 12784.5 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; MTMNITSKQMEITPAIRQHV ADRLAKLEKWQTHLINPHII LSKEPQGFVADATINTPNGV LVASGKHEDMYTAINELINK LERQLNKLQHKGEARRAATS VKDANFVEEVEEE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 MET 4 ASN 5 ILE 6 THR 7 SER 8 LYS 9 GLN 10 MET 11 GLU 12 ILE 13 THR 14 PRO 15 ALA 16 ILE 17 ARG 18 GLN 19 HIS 20 VAL 21 ALA 22 ASP 23 ARG 24 LEU 25 ALA 26 LYS 27 LEU 28 GLU 29 LYS 30 TRP 31 GLN 32 THR 33 HIS 34 LEU 35 ILE 36 ASN 37 PRO 38 HIS 39 ILE 40 ILE 41 LEU 42 SER 43 LYS 44 GLU 45 PRO 46 GLN 47 GLY 48 PHE 49 VAL 50 ALA 51 ASP 52 ALA 53 THR 54 ILE 55 ASN 56 THR 57 PRO 58 ASN 59 GLY 60 VAL 61 LEU 62 VAL 63 ALA 64 SER 65 GLY 66 LYS 67 HIS 68 GLU 69 ASP 70 MET 71 TYR 72 THR 73 ALA 74 ILE 75 ASN 76 GLU 77 LEU 78 ILE 79 ASN 80 LYS 81 LEU 82 GLU 83 ARG 84 GLN 85 LEU 86 ASN 87 LYS 88 LEU 89 GLN 90 HIS 91 LYS 92 GLY 93 GLU 94 ALA 95 ARG 96 ARG 97 ALA 98 ALA 99 THR 100 SER 101 VAL 102 LYS 103 ASP 104 ALA 105 ASN 106 PHE 107 VAL 108 GLU 109 GLU 110 VAL 111 GLU 112 GLU 113 GLU 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 5315 pY 99.12 112 100.00 100.00 2.82e-75 PDB 1L4S "Solution Structure Of Ribosome Associated Factor Y" 99.12 112 100.00 100.00 2.82e-75 PDB 1N3G "Solution Structure Of The Ribosome-Associated Cold Shock Response Protein Yfia Of Escherichia Coli" 100.00 113 100.00 100.00 3.24e-76 PDB 1VOQ "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 79.65 90 100.00 100.00 1.74e-58 PDB 1VOS "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 79.65 90 100.00 100.00 1.74e-58 PDB 1VOV "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 79.65 90 100.00 100.00 1.74e-58 PDB 1VOX "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 79.65 90 100.00 100.00 1.74e-58 PDB 1VOZ "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 79.65 90 100.00 100.00 1.74e-58 PDB 3V2C "Crystal Structure Of Yfia Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 30s Subunit With Bound Yfia Of" 100.00 119 100.00 100.00 5.69e-76 PDB 3V2E "Crystal Structure Of Yfia Bound To The 70s Ribosome. This Pdb Entry Contains Coordinates For The 30s Subunit With Bound Yfia Of" 100.00 119 100.00 100.00 5.69e-76 DBJ BAA16481 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli str. K-12 substr. W3110]" 100.00 113 100.00 100.00 3.24e-76 DBJ BAB36883 "putative yhbH sigma 54 modulator [Escherichia coli O157:H7 str. Sakai]" 100.00 113 100.00 100.00 3.24e-76 DBJ BAG78406 "putative sigma 54 modulation protein [Escherichia coli SE11]" 100.00 113 100.00 100.00 3.24e-76 DBJ BAI26837 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli O26:H11 str. 11368]" 99.12 116 100.00 100.00 1.38e-75 DBJ BAI31922 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli O103:H2 str. 12009]" 100.00 113 100.00 100.00 3.24e-76 EMBL CAA94436 "URF1 (ORFS54) [Escherichia coli K-12]" 100.00 113 100.00 100.00 3.24e-76 EMBL CAP77041 "ribosome-associated inhibitor A [Escherichia coli LF82]" 100.00 113 100.00 100.00 3.24e-76 EMBL CAQ32967 "stationary phase translation inhibitor and ribosome stability factor [Escherichia coli BL21(DE3)]" 100.00 113 100.00 100.00 3.24e-76 EMBL CAQ88030 "cold shock protein associated with 30S ribosomal subunit [Escherichia fergusonii ATCC 35469]" 99.12 114 97.32 99.11 3.21e-73 EMBL CAQ99546 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli IAI1]" 100.00 113 100.00 100.00 3.24e-76 GB AAA24328 "12,785 MW protein (URF1) [Escherichia coli]" 100.00 113 100.00 100.00 3.24e-76 GB AAC75646 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli str. K-12 substr. MG1655]" 100.00 113 100.00 100.00 3.24e-76 GB AAG57709 "putative yhbH sigma 54 modulator [Escherichia coli O157:H7 str. EDL933]" 100.00 113 100.00 100.00 3.24e-76 GB AAN44153 "putative yhbH sigma 54 modulator [Shigella flexneri 2a str. 301]" 100.00 113 100.00 100.00 3.24e-76 GB AAN81568 "Protein yfiA [Escherichia coli CFT073]" 100.00 113 100.00 100.00 3.24e-76 REF NP_289151 "translation inhibitor protein RaiA [Escherichia coli O157:H7 str. EDL933]" 100.00 113 100.00 100.00 3.24e-76 REF NP_311487 "translation inhibitor protein RaiA [Escherichia coli O157:H7 str. Sakai]" 100.00 113 100.00 100.00 3.24e-76 REF NP_417088 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli str. K-12 substr. MG1655]" 100.00 113 100.00 100.00 3.24e-76 REF NP_708446 "translation inhibitor protein RaiA [Shigella flexneri 2a str. 301]" 100.00 113 100.00 100.00 3.24e-76 REF NP_755000 "translation inhibitor protein RaiA [Escherichia coli CFT073]" 100.00 113 100.00 100.00 3.24e-76 SP P0AD49 "RecName: Full=Ribosome-associated inhibitor A; AltName: Full=Protein Y; AltName: Full=SpotY; Short=pY [Escherichia coli K-12]" 100.00 113 100.00 100.00 3.24e-76 SP P0AD50 "RecName: Full=Ribosome-associated inhibitor A [Escherichia coli CFT073]" 100.00 113 100.00 100.00 3.24e-76 SP P0AD51 "RecName: Full=Ribosome-associated inhibitor A [Escherichia coli O157:H7]" 100.00 113 100.00 100.00 3.24e-76 SP P0AD52 "RecName: Full=Ribosome-associated inhibitor A [Shigella flexneri]" 100.00 113 100.00 100.00 3.24e-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 $Yfia_monomer E.coli 562 Eubacteria . Escherichia coli 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 $Yfia_monomer 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Yfia_monomer . mM 0.5 0.8 '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Yfia_monomer . mM 0.5 0.8 . stop_ save_ ############################ # Computer software used # ############################ save_Aurelia _Saveframe_category software _Name Aurelia _Version 2.0 loop_ _Task 'Assignment of 3D-spectra' stop_ _Details . save_ save_NDEE _Saveframe_category software _Name NDEE _Version . loop_ _Task 'Assignment of 2D-spectra' details 'Spin-Up, Dortmund, Germany' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D-HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCA _Sample_label . save_ save_3D-HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _Sample_label . save_ save_3D-HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCACB _Sample_label . save_ save_3D-HC(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HC(CO)NH _Sample_label . save_ save_3D-C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-C(CO)NH _Sample_label . save_ save_3D-HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-TOCSY _Sample_label . save_ save_3D-1H,15N-HSQC-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-1H,15N-HSQC-TOCSY _Sample_label . save_ save_3D-1H,15N-HSQC-NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-1H,15N-HSQC-NOESY _Sample_label . save_ save_3D-1H,13C-HSQC-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-1H,13C-HSQC-NOESY _Sample_label . save_ save_2D-1H,13C-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-1H,13C-HSQC _Sample_label . save_ save_2D-1H,15N-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-1H,15N-HSQC _Sample_label . save_ save_2D-1H,1H-DQF-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-1H,1H-DQF-COSY _Sample_label . save_ save_2D-1H,1H-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-1H,1H-TOCSY _Sample_label . save_ save_2D-1H,1H-NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-1H,1H-NOESY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-1H,15N-HSQC-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-1H,15N-HSQC-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-1H,13C-HSQC-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-1H,13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-1H,15N-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-1H,1H-DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-1H,1H-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-1H,1H-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.65 0.15 n/a temperature 300 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details ; The ambiguity for the atoms 343 - 350, 360 arises from missing HN resonances of amino acids GLN31, THR32, HIS33, and LEU34 in the 15N-HSQC spectra. ; loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Yfia subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 MET HE H 2.05 0.02 5 2 . 1 MET CE C 16.2 0.05 5 3 . 2 THR HA H 4.21 0.02 1 4 . 2 THR HB H 4.16 0.02 1 5 . 2 THR HG2 H 1.16 0.02 1 6 . 2 THR CB C 69.5 0.05 1 7 . 2 THR CG2 C 21.3 0.05 1 8 . 3 MET H H 8.47 0.02 5 9 . 3 MET HA H 4.62 0.02 1 10 . 3 MET HB2 H 1.94 0.02 1 11 . 3 MET HB3 H 1.94 0.02 1 12 . 3 MET HG2 H 2.31 0.02 1 13 . 3 MET HG3 H 2.31 0.02 1 14 . 3 MET HE H 1.95 0.02 1 15 . 3 MET C C 174.1 0.05 1 16 . 3 MET CA C 54.9 0.05 1 17 . 3 MET CB C 33.1 0.05 1 18 . 3 MET CG C 31.2 0.05 1 19 . 3 MET CE C 16.9 0.05 1 20 . 3 MET N N 118.2 0.1 1 21 . 4 ASN H H 8.46 0.02 1 22 . 4 ASN HA H 4.93 0.02 1 23 . 4 ASN HB2 H 2.60 0.02 2 24 . 4 ASN HB3 H 2.40 0.02 2 25 . 4 ASN HD21 H 7.66 0.02 1 26 . 4 ASN HD22 H 7.00 0.02 1 27 . 4 ASN C C 173.0 0.05 1 28 . 4 ASN CA C 52.3 0.05 1 29 . 4 ASN CB C 39.9 0.05 1 30 . 4 ASN CG C 177.5 0.05 1 31 . 4 ASN N N 123.9 0.1 1 32 . 4 ASN ND2 N 111.6 0.1 1 33 . 5 ILE H H 8.21 0.02 1 34 . 5 ILE HA H 5.45 0.02 1 35 . 5 ILE HB H 1.59 0.02 1 36 . 5 ILE HG12 H 1.32 0.02 1 37 . 5 ILE HG13 H 1.09 0.02 1 38 . 5 ILE HG2 H 0.88 0.02 1 39 . 5 ILE HD1 H 0.76 0.02 1 40 . 5 ILE C C 174.6 0.05 1 41 . 5 ILE CA C 59.2 0.05 1 42 . 5 ILE CB C 39.8 0.05 1 43 . 5 ILE CG1 C 27.5 0.05 1 44 . 5 ILE CG2 C 16.9 0.05 1 45 . 5 ILE CD1 C 14.8 0.05 1 46 . 5 ILE N N 123.4 0.1 1 47 . 6 THR H H 8.92 0.02 1 48 . 6 THR HA H 4.87 0.02 1 49 . 6 THR HB H 4.30 0.02 1 50 . 6 THR HG2 H 1.21 0.02 1 51 . 6 THR C C 172.4 0.05 1 52 . 6 THR CA C 59.8 0.05 1 53 . 6 THR CB C 72.0 0.05 1 54 . 6 THR CG2 C 21.4 0.05 1 55 . 6 THR N N 117.6 0.1 1 56 . 7 SER H H 8.43 0.02 1 57 . 7 SER HA H 5.13 0.02 1 58 . 7 SER HB2 H 4.07 0.02 2 59 . 7 SER HB3 H 3.83 0.02 2 60 . 7 SER C C 174.4 0.05 1 61 . 7 SER CA C 57.4 0.05 1 62 . 7 SER CB C 65.8 0.05 1 63 . 7 SER N N 111.1 0.1 1 64 . 8 LYS H H 9.04 0.02 1 65 . 8 LYS HA H 4.55 0.02 1 66 . 8 LYS HB2 H 1.90 0.02 1 67 . 8 LYS HB3 H 1.90 0.02 1 68 . 8 LYS HG2 H 1.34 0.02 1 69 . 8 LYS HG3 H 1.34 0.02 1 70 . 8 LYS HD2 H 1.68 0.02 1 71 . 8 LYS HD3 H 1.68 0.02 1 72 . 8 LYS HE2 H 2.98 0.02 1 73 . 8 LYS HE3 H 2.98 0.02 1 74 . 8 LYS C C 176.6 0.05 1 75 . 8 LYS CA C 56.3 0.05 1 76 . 8 LYS CB C 33.2 0.05 1 77 . 8 LYS CG C 25.1 0.05 1 78 . 8 LYS CD C 28.9 0.05 1 79 . 8 LYS N N 122.8 0.1 1 80 . 9 GLN H H 8.47 0.02 1 81 . 9 GLN HA H 4.33 0.02 1 82 . 9 GLN HB2 H 2.04 0.02 2 83 . 9 GLN HB3 H 1.92 0.02 2 84 . 9 GLN HG2 H 2.26 0.02 1 85 . 9 GLN HG3 H 2.26 0.02 1 86 . 9 GLN HE21 H 7.57 0.02 1 87 . 9 GLN HE22 H 7.00 0.02 1 88 . 9 GLN C C 173.5 0.05 1 89 . 9 GLN CA C 56.5 0.05 1 90 . 9 GLN CB C 30.2 0.05 1 91 . 9 GLN CG C 34.3 0.05 1 92 . 9 GLN CD C 180.2 0.05 1 93 . 9 GLN N N 115.3 0.1 1 94 . 9 GLN NE2 N 110.8 0.1 1 95 . 10 MET H H 7.54 0.02 1 96 . 10 MET HA H 4.70 0.02 1 97 . 10 MET HB2 H 2.14 0.02 2 98 . 10 MET HB3 H 2.02 0.02 2 99 . 10 MET HG2 H 2.57 0.02 2 100 . 10 MET HG3 H 2.47 0.02 2 101 . 10 MET HE H 1.92 0.02 1 102 . 10 MET C C 173.7 0.05 1 103 . 10 MET CA C 54.4 0.05 1 104 . 10 MET CB C 34.6 0.05 1 105 . 10 MET CG C 30.1 0.05 1 106 . 10 MET N N 113.5 0.1 1 107 . 11 GLU H H 8.44 0.02 1 108 . 11 GLU HA H 4.33 0.02 1 109 . 11 GLU HB2 H 1.86 0.02 2 110 . 11 GLU HB3 H 2.02 0.02 2 111 . 11 GLU HG2 H 2.20 0.02 1 112 . 11 GLU HG3 H 2.20 0.02 1 113 . 11 GLU C C 175.7 0.05 1 114 . 11 GLU CA C 55.3 0.05 1 115 . 11 GLU CB C 30.4 0.05 1 116 . 11 GLU CG C 35.7 0.05 1 117 . 11 GLU N N 120.6 0.1 1 118 . 12 ILE H H 8.79 0.02 1 119 . 12 ILE HA H 4.09 0.02 1 120 . 12 ILE HB H 2.11 0.02 1 121 . 12 ILE HG12 H 1.58 0.02 2 122 . 12 ILE HG13 H 1.29 0.02 2 123 . 12 ILE HG2 H 0.81 0.02 1 124 . 12 ILE HD1 H 0.60 0.02 1 125 . 12 ILE C C 175.3 0.05 1 126 . 12 ILE CA C 59.0 0.05 1 127 . 12 ILE CB C 34.6 0.05 1 128 . 12 ILE CG1 C 25.4 0.05 1 129 . 12 ILE CG2 C 17.4 0.05 1 130 . 12 ILE CD1 C 10.4 0.05 1 131 . 12 ILE N N 123.7 0.1 1 132 . 13 THR H H 6.67 0.02 1 133 . 13 THR HA H 4.80 0.02 1 134 . 13 THR HB H 4.15 0.02 1 135 . 13 THR HG2 H 1.22 0.02 1 136 . 13 THR CA C 58.6 0.05 1 137 . 13 THR CB C 68.4 0.05 1 138 . 13 THR CG2 C 21.0 0.05 1 139 . 13 THR N N 116.9 0.1 1 140 . 14 PRO HA H 4.18 0.02 1 141 . 14 PRO HB2 H 2.40 0.02 2 142 . 14 PRO HB3 H 1.80 0.02 2 143 . 14 PRO HG2 H 1.97 0.02 1 144 . 14 PRO HG3 H 1.97 0.02 1 145 . 14 PRO HD2 H 3.75 0.02 2 146 . 14 PRO HD3 H 3.73 0.02 2 147 . 14 PRO C C 178.5 0.05 1 148 . 14 PRO CA C 65.4 0.05 1 149 . 14 PRO CB C 31.4 0.05 1 150 . 14 PRO CG C 27.7 0.05 1 151 . 15 ALA H H 7.99 0.02 1 152 . 15 ALA HA H 4.12 0.02 1 153 . 15 ALA HB H 1.41 0.02 1 154 . 15 ALA C C 180.5 0.05 1 155 . 15 ALA CA C 54.9 0.05 1 156 . 15 ALA CB C 18.0 0.05 1 157 . 15 ALA N N 117.2 0.1 1 158 . 16 ILE H H 7.54 0.02 1 159 . 16 ILE HA H 3.70 0.02 1 160 . 16 ILE HB H 1.77 0.02 1 161 . 16 ILE HG12 H 1.36 0.02 2 162 . 16 ILE HG2 H 0.84 0.02 1 163 . 16 ILE HD1 H 0.71 0.02 1 164 . 16 ILE C C 177.2 0.05 1 165 . 16 ILE CA C 65.3 0.05 1 166 . 16 ILE CB C 38.3 0.05 1 167 . 16 ILE CG1 C 29.2 0.05 1 168 . 16 ILE CG2 C 17.2 0.05 1 169 . 16 ILE CD1 C 14.1 0.05 1 170 . 16 ILE N N 119.1 0.1 1 171 . 17 ARG H H 7.95 0.02 1 172 . 17 ARG HA H 3.61 0.02 1 173 . 17 ARG HB2 H 1.76 0.02 2 174 . 17 ARG HB3 H 1.42 0.02 2 175 . 17 ARG HG2 H 1.70 0.02 1 176 . 17 ARG HG3 H 1.70 0.02 1 177 . 17 ARG HD2 H 3.20 0.02 1 178 . 17 ARG HD3 H 3.20 0.02 1 179 . 17 ARG C C 178.1 0.05 1 180 . 17 ARG CA C 60.2 0.05 1 181 . 17 ARG CB C 29.5 0.05 1 182 . 17 ARG CG C 28.2 0.05 1 183 . 17 ARG CD C 42.8 0.05 1 184 . 17 ARG N N 117.4 0.1 1 185 . 18 GLN H H 8.46 0.02 1 186 . 18 GLN HA H 3.89 0.02 1 187 . 18 GLN HB2 H 2.14 0.02 2 188 . 18 GLN HB3 H 2.04 0.02 2 189 . 18 GLN HG2 H 2.40 0.02 2 190 . 18 GLN HG3 H 2.30 0.02 2 191 . 18 GLN HE21 H 7.79 0.02 1 192 . 18 GLN HE22 H 6.82 0.02 1 193 . 18 GLN C C 176.9 0.05 1 194 . 18 GLN CA C 57.8 0.05 1 195 . 18 GLN CB C 28.2 0.05 1 196 . 18 GLN CG C 33.2 0.05 1 197 . 18 GLN CD C 180.4 0.05 1 198 . 18 GLN N N 117.0 0.1 1 199 . 18 GLN NE2 N 113.9 0.1 1 200 . 19 HIS H H 7.93 0.02 1 201 . 19 HIS HA H 4.22 0.02 1 202 . 19 HIS HB2 H 3.20 0.02 2 203 . 19 HIS HB3 H 3.10 0.02 2 204 . 19 HIS HD2 H 6.41 0.02 1 205 . 19 HIS HE1 H 7.75 0.02 1 206 . 19 HIS C C 177.6 0.05 1 207 . 19 HIS CA C 60.1 0.05 1 208 . 19 HIS CB C 30.8 0.05 1 209 . 19 HIS CD2 C 117.0 0.05 1 210 . 19 HIS CE1 C 138.8 0.05 1 211 . 19 HIS N N 118.4 0.1 1 212 . 20 VAL H H 8.08 0.02 1 213 . 20 VAL HA H 3.15 0.02 1 214 . 20 VAL HB H 2.08 0.02 1 215 . 20 VAL HG1 H 1.02 0.02 2 216 . 20 VAL HG2 H 0.81 0.02 2 217 . 20 VAL C C 176.8 0.05 1 218 . 20 VAL CA C 66.9 0.05 1 219 . 20 VAL CB C 31.1 0.05 1 220 . 20 VAL CG1 C 23.1 0.05 1 221 . 20 VAL CG2 C 22.1 0.05 1 222 . 20 VAL N N 115.6 0.1 1 223 . 21 ALA H H 8.20 0.02 1 224 . 21 ALA HA H 3.85 0.02 1 225 . 21 ALA HB H 1.42 0.02 1 226 . 21 ALA C C 180.4 0.05 1 227 . 21 ALA CA C 55.6 0.05 1 228 . 21 ALA CB C 17.8 0.05 1 229 . 21 ALA N N 120.2 0.1 1 230 . 22 ASP H H 8.54 0.02 1 231 . 22 ASP HA H 4.28 0.02 1 232 . 22 ASP HB2 H 2.70 0.02 2 233 . 22 ASP HB3 H 2.48 0.02 2 234 . 22 ASP C C 178.8 0.05 1 235 . 22 ASP CA C 56.8 0.05 1 236 . 22 ASP CB C 40.1 0.05 1 237 . 22 ASP N N 117.4 0.1 1 238 . 23 ARG H H 7.78 0.02 1 239 . 23 ARG HA H 4.04 0.02 1 240 . 23 ARG HB2 H 1.66 0.02 2 241 . 23 ARG HB3 H 1.38 0.02 2 242 . 23 ARG HG2 H 1.47 0.02 1 243 . 23 ARG HG3 H 1.47 0.02 1 244 . 23 ARG HD2 H 2.94 0.02 1 245 . 23 ARG HD3 H 2.94 0.02 1 246 . 23 ARG C C 179.5 0.05 1 247 . 23 ARG CA C 56.9 0.05 1 248 . 23 ARG CB C 28.7 0.05 1 249 . 23 ARG CG C 25.9 0.05 1 250 . 23 ARG CD C 41.3 0.05 1 251 . 23 ARG N N 117.0 0.1 1 252 . 24 LEU H H 8.45 0.02 1 253 . 24 LEU HA H 3.94 0.02 1 254 . 24 LEU HB2 H 1.72 0.02 2 255 . 24 LEU HB3 H 1.33 0.02 2 256 . 24 LEU HG H 1.66 0.02 1 257 . 24 LEU HD1 H 0.84 0.02 2 258 . 24 LEU HD2 H 0.64 0.02 2 259 . 24 LEU C C 179.0 0.05 1 260 . 24 LEU CA C 57.0 0.05 1 261 . 24 LEU CB C 41.0 0.05 1 262 . 24 LEU CG C 25.9 0.05 1 263 . 24 LEU CD1 C 22.3 0.05 1 264 . 24 LEU N N 118.8 0.1 1 265 . 25 ALA H H 7.75 0.02 1 266 . 25 ALA HA H 4.05 0.02 1 267 . 25 ALA HB H 1.46 0.02 1 268 . 25 ALA C C 179.2 0.05 1 269 . 25 ALA CA C 54.1 0.05 1 270 . 25 ALA CB C 17.7 0.05 1 271 . 25 ALA N N 119.7 0.1 1 272 . 26 LYS H H 7.15 0.02 1 273 . 26 LYS HA H 4.15 0.02 1 274 . 26 LYS HB2 H 1.91 0.02 1 275 . 26 LYS HB3 H 1.91 0.02 1 276 . 26 LYS HG2 H 1.50 0.02 1 277 . 26 LYS HG3 H 1.50 0.02 1 278 . 26 LYS HD2 H 1.60 0.02 1 279 . 26 LYS HD3 H 1.60 0.02 1 280 . 26 LYS HE2 H 2.99 0.02 1 281 . 26 LYS HE3 H 2.99 0.02 1 282 . 26 LYS C C 177.6 0.05 1 283 . 26 LYS CA C 57.0 0.05 1 284 . 26 LYS CB C 31.8 0.05 1 285 . 26 LYS CG C 24.8 0.05 1 286 . 26 LYS CD C 28.3 0.05 1 287 . 26 LYS N N 114.4 0.1 1 288 . 27 LEU H H 7.60 0.02 1 289 . 27 LEU HA H 4.48 0.02 1 290 . 27 LEU HB2 H 1.92 0.02 2 291 . 27 LEU HB3 H 1.69 0.02 2 292 . 27 LEU HG H 1.77 0.02 1 293 . 27 LEU HD1 H 0.88 0.02 2 294 . 27 LEU HD2 H 0.68 0.02 2 295 . 27 LEU C C 177.4 0.05 1 296 . 27 LEU CA C 54.7 0.05 1 297 . 27 LEU CB C 40.4 0.05 1 298 . 27 LEU CG C 25.5 0.05 1 299 . 27 LEU N N 118.7 0.1 1 300 . 28 GLU H H 7.85 0.02 1 301 . 28 GLU HA H 3.85 0.02 1 302 . 28 GLU HB2 H 2.05 0.02 1 303 . 28 GLU HB3 H 2.05 0.02 1 304 . 28 GLU HG2 H 2.40 0.02 1 305 . 28 GLU HG3 H 2.40 0.02 1 306 . 28 GLU CA C 58.5 0.05 1 307 . 28 GLU CB C 29.2 0.05 1 308 . 28 GLU CG C 31.3 0.05 1 309 . 28 GLU N N 120.5 0.1 1 310 . 29 LYS H H 7.78 0.02 1 311 . 29 LYS HA H 3.98 0.02 1 312 . 29 LYS HB2 H 1.65 0.02 2 313 . 29 LYS HB3 H 1.35 0.02 2 314 . 29 LYS HG2 H 0.93 0.02 2 315 . 29 LYS HG3 H 0.82 0.02 2 316 . 29 LYS C C 176.9 0.05 1 317 . 29 LYS CA C 56.9 0.05 1 318 . 29 LYS CB C 29.1 0.05 1 319 . 29 LYS CG C 23.9 0.05 1 320 . 29 LYS CD C 28.6 0.05 1 321 . 29 LYS N N 117.1 0.1 1 322 . 30 TRP H H 7.65 0.02 1 323 . 30 TRP HA H 4.70 0.02 1 324 . 30 TRP HB2 H 3.30 0.02 2 325 . 30 TRP HB3 H 3.07 0.02 2 326 . 30 TRP HD1 H 7.21 0.02 1 327 . 30 TRP HE1 H 10.41 0.02 1 328 . 30 TRP HE3 H 7.34 0.02 1 329 . 30 TRP HZ2 H 7.42 0.02 1 330 . 30 TRP HZ3 H 6.90 0.02 1 331 . 30 TRP HH2 H 7.10 0.02 1 332 . 30 TRP CA C 57.0 0.05 1 333 . 30 TRP CB C 29.5 0.05 1 334 . 30 TRP CD1 C 126.8 0.05 1 335 . 30 TRP CZ2 C 114.2 0.05 1 336 . 30 TRP CZ3 C 121.0 0.05 1 337 . 30 TRP CH2 C 124.2 0.05 1 338 . 30 TRP N N 117.0 0.1 1 339 . 31 GLN HB2 H 2.02 0.02 2 340 . 31 GLN HB3 H 1.95 0.02 2 341 . 31 GLN HG2 H 2.14 0.02 1 342 . 31 GLN HG3 H 2.14 0.02 1 343 . 31 GLN CA C 54.3 0.05 9 344 . 32 THR HA H 4.22 0.02 5 345 . 32 THR HB H 4.09 0.02 5 346 . 32 THR HG2 H 1.17 0.02 1 347 . 32 THR CA C 62.2 0.05 5 348 . 32 THR CB C 69.5 0.05 5 349 . 32 THR CG2 C 21.3 0.05 5 350 . 33 HIS H H 7.89 0.02 5 351 . 33 HIS HA H 4.00 0.02 1 352 . 33 HIS HB2 H 3.16 0.02 1 353 . 33 HIS HB3 H 3.08 0.02 1 354 . 33 HIS HD2 H 7.00 0.02 1 355 . 33 HIS HE1 H 7.90 0.02 1 356 . 33 HIS CA C 58.5 0.05 1 357 . 33 HIS CB C 30.4 0.05 1 358 . 33 HIS CD2 C 119.0 0.05 1 359 . 33 HIS CE1 C 138.2 0.05 1 360 . 33 HIS N N 122.3 0.1 5 361 . 34 LEU HA H 4.45 0.02 1 362 . 34 LEU HB2 H 1.80 0.02 1 363 . 34 LEU HB3 H 1.80 0.02 1 364 . 34 LEU HD1 H 0.89 0.02 2 365 . 34 LEU HD2 H 0.81 0.02 2 366 . 34 LEU C C 175.1 0.05 1 367 . 34 LEU CA C 55.8 0.05 1 368 . 34 LEU CB C 43.0 0.05 1 369 . 34 LEU CG C 30.4 0.05 1 370 . 34 LEU CD1 C 26.7 0.05 1 371 . 35 ILE H H 7.97 0.02 1 372 . 35 ILE HA H 4.00 0.02 1 373 . 35 ILE HB H 1.66 0.02 1 374 . 35 ILE HG12 H 1.35 0.02 1 375 . 35 ILE HG2 H 0.80 0.02 1 376 . 35 ILE HD1 H 0.75 0.02 1 377 . 35 ILE C C 174.9 0.05 1 378 . 35 ILE CA C 60.8 0.05 1 379 . 35 ILE CB C 38.0 0.05 1 380 . 35 ILE CG1 C 26.9 0.05 1 381 . 35 ILE CG2 C 17.1 0.05 1 382 . 35 ILE CD1 C 12.6 0.05 1 383 . 35 ILE N N 126.8 0.1 9 384 . 36 ASN H H 8.83 0.02 1 385 . 36 ASN HA H 4.70 0.02 1 386 . 36 ASN HB2 H 2.90 0.02 2 387 . 36 ASN HB3 H 2.78 0.02 2 388 . 36 ASN HD21 H 7.60 0.02 1 389 . 36 ASN HD22 H 6.85 0.02 1 390 . 36 ASN CA C 52.4 0.05 1 391 . 36 ASN CB C 38.2 0.05 1 392 . 36 ASN CG C 177.6 0.05 1 393 . 36 ASN N N 120.8 0.1 1 394 . 36 ASN ND2 N 112.0 0.1 1 395 . 37 PRO HA H 4.55 0.02 1 396 . 37 PRO HB2 H 1.84 0.02 2 397 . 37 PRO HB3 H 1.69 0.02 2 398 . 37 PRO HG2 H 2.13 0.02 2 399 . 37 PRO HG3 H 2.03 0.02 2 400 . 37 PRO HD2 H 3.77 0.02 1 401 . 37 PRO HD3 H 3.77 0.02 1 402 . 37 PRO C C 175.3 0.05 1 403 . 37 PRO CA C 63.6 0.05 1 404 . 37 PRO CB C 31.6 0.05 1 405 . 37 PRO CG C 27.5 0.05 1 406 . 37 PRO CD C 50.0 0.05 1 407 . 38 HIS H H 8.45 0.02 1 408 . 38 HIS HA H 5.54 0.02 1 409 . 38 HIS HB2 H 3.20 0.02 2 410 . 38 HIS HB3 H 3.08 0.02 2 411 . 38 HIS HD2 H 6.95 0.02 1 412 . 38 HIS HE1 H 7.89 0.02 1 413 . 38 HIS C C 174.1 0.05 1 414 . 38 HIS CA C 53.9 0.05 1 415 . 38 HIS CB C 31.2 0.05 1 416 . 38 HIS CD2 C 119.4 0.05 1 417 . 38 HIS CE1 C 138.2 0.05 1 418 . 38 HIS N N 121.8 0.1 1 419 . 39 ILE H H 8.91 0.02 1 420 . 39 ILE HA H 5.01 0.02 1 421 . 39 ILE HB H 1.71 0.02 1 422 . 39 ILE HG12 H 1.43 0.02 1 423 . 39 ILE HG13 H 1.06 0.02 1 424 . 39 ILE HG2 H 0.77 0.02 1 425 . 39 ILE HD1 H 0.63 0.02 1 426 . 39 ILE C C 173.6 0.05 1 427 . 39 ILE CA C 59.2 0.05 1 428 . 39 ILE CB C 39.9 0.05 1 429 . 39 ILE CG1 C 28.2 0.05 1 430 . 39 ILE CG2 C 16.7 0.05 1 431 . 39 ILE CD1 C 13.0 0.05 1 432 . 39 ILE N N 126.5 0.1 1 433 . 40 ILE H H 9.13 0.02 1 434 . 40 ILE HA H 4.93 0.02 1 435 . 40 ILE HB H 1.58 0.02 1 436 . 40 ILE HG13 H 1.09 0.02 1 437 . 40 ILE HG2 H 0.84 0.02 1 438 . 40 ILE HD1 H 0.71 0.02 1 439 . 40 ILE C C 175.9 0.05 1 440 . 40 ILE CA C 59.8 0.05 1 441 . 40 ILE CB C 40.3 0.05 1 442 . 40 ILE CG1 C 27.4 0.05 1 443 . 40 ILE CG2 C 17.7 0.05 1 444 . 40 ILE CD1 C 13.7 0.05 1 445 . 40 ILE N N 126.6 0.1 1 446 . 41 LEU H H 8.78 0.02 1 447 . 41 LEU HA H 5.45 0.02 1 448 . 41 LEU HB2 H 1.60 0.02 2 449 . 41 LEU HB3 H 1.49 0.02 2 450 . 41 LEU HG H 1.60 0.02 1 451 . 41 LEU HD1 H 0.81 0.02 2 452 . 41 LEU HD2 H 0.75 0.02 2 453 . 41 LEU C C 175.8 0.05 1 454 . 41 LEU CA C 52.9 0.05 1 455 . 41 LEU CB C 44.8 0.05 1 456 . 41 LEU CG C 27.4 0.05 1 457 . 41 LEU CD1 C 25.0 0.05 1 458 . 41 LEU CD2 C 24.5 0.05 1 459 . 41 LEU N N 127.8 0.1 1 460 . 42 SER H H 9.63 0.02 1 461 . 42 SER HA H 5.06 0.02 1 462 . 42 SER HB2 H 3.80 0.02 2 463 . 42 SER HB3 H 3.71 0.02 2 464 . 42 SER C C 171.8 0.05 2 465 . 42 SER CA C 57.0 0.05 2 466 . 42 SER CB C 65.4 0.05 2 467 . 42 SER N N 119.7 0.1 2 468 . 43 LYS H H 8.30 0.02 2 469 . 43 LYS HA H 4.40 0.02 2 470 . 43 LYS HB2 H 1.60 0.02 2 471 . 43 LYS HB3 H 1.39 0.02 2 472 . 43 LYS HG2 H 0.96 0.02 2 473 . 43 LYS HG3 H 0.71 0.02 2 474 . 43 LYS HD2 H 1.41 0.02 2 475 . 43 LYS HD3 H 1.13 0.02 2 476 . 43 LYS HE2 H 2.98 0.02 2 477 . 43 LYS HE3 H 2.70 0.02 2 478 . 43 LYS C C 174.5 0.05 1 479 . 43 LYS CA C 55.4 0.05 1 480 . 43 LYS CB C 34.4 0.05 1 481 . 43 LYS CG C 24.4 0.05 1 482 . 43 LYS CD C 28.3 0.05 1 483 . 43 LYS N N 122.4 0.1 1 484 . 44 GLU H H 8.49 0.02 1 485 . 44 GLU HA H 4.74 0.02 1 486 . 44 GLU HB2 H 2.00 0.02 2 487 . 44 GLU HB3 H 1.90 0.02 2 488 . 44 GLU HG2 H 2.10 0.02 1 489 . 44 GLU HG3 H 2.10 0.02 1 490 . 44 GLU CA C 53.7 0.05 1 491 . 44 GLU CB C 29.5 0.05 1 492 . 44 GLU N N 126.5 0.1 1 493 . 45 PRO HA H 4.07 0.02 1 494 . 45 PRO HB2 H 2.30 0.02 2 495 . 45 PRO HB3 H 1.76 0.02 2 496 . 45 PRO HG2 H 1.80 0.02 2 497 . 45 PRO HG3 H 1.84 0.02 2 498 . 45 PRO HD2 H 3.80 0.02 2 499 . 45 PRO HD3 H 3.76 0.02 2 500 . 45 PRO C C 177.7 0.05 1 501 . 45 PRO CA C 66.1 0.05 1 502 . 45 PRO CB C 31.2 0.05 1 503 . 45 PRO CG C 27.9 0.05 1 504 . 45 PRO CD C 49.9 0.05 1 505 . 46 GLN H H 8.06 0.02 1 506 . 46 GLN HA H 4.28 0.02 1 507 . 46 GLN HB2 H 2.07 0.02 2 508 . 46 GLN HB3 H 1.88 0.02 2 509 . 46 GLN HG2 H 2.27 0.02 1 510 . 46 GLN HG3 H 2.27 0.02 1 511 . 46 GLN HE21 H 7.49 0.02 1 512 . 46 GLN HE22 H 6.80 0.02 1 513 . 46 GLN C C 175.2 0.05 1 514 . 46 GLN CA C 55.6 0.05 1 515 . 46 GLN CB C 27.9 0.05 1 516 . 46 GLN CG C 33.5 0.05 1 517 . 46 GLN CD C 180.6 0.05 1 518 . 46 GLN N N 109.9 0.1 1 519 . 46 GLN NE2 N 111.0 0.1 1 520 . 47 GLY H H 7.43 0.02 1 521 . 47 GLY HA2 H 4.15 0.02 2 522 . 47 GLY HA3 H 3.70 0.02 2 523 . 47 GLY C C 170.9 0.05 1 524 . 47 GLY CA C 45.3 0.05 1 525 . 47 GLY N N 106.7 0.1 1 526 . 48 PHE H H 8.59 0.02 1 527 . 48 PHE HA H 5.00 0.02 1 528 . 48 PHE HB2 H 2.84 0.02 2 529 . 48 PHE HB3 H 2.76 0.02 2 530 . 48 PHE HD1 H 7.19 0.02 1 531 . 48 PHE HD2 H 7.19 0.02 1 532 . 48 PHE HE1 H 7.49 0.02 1 533 . 48 PHE HE2 H 7.49 0.02 1 534 . 48 PHE HZ H 7.39 0.02 1 535 . 48 PHE C C 175.1 0.05 1 536 . 48 PHE CA C 57.8 0.05 1 537 . 48 PHE CB C 42.1 0.05 1 538 . 48 PHE CD1 C 131.6 0.05 1 539 . 48 PHE CD2 C 131.6 0.05 1 540 . 48 PHE CE1 C 131.7 0.05 1 541 . 48 PHE CE2 C 131.7 0.05 1 542 . 48 PHE CZ C 129.7 0.05 1 543 . 48 PHE N N 117.4 0.1 1 544 . 49 VAL H H 8.82 0.02 1 545 . 49 VAL HA H 4.73 0.02 1 546 . 49 VAL HB H 1.86 0.02 1 547 . 49 VAL HG1 H 0.86 0.02 2 548 . 49 VAL HG2 H 0.76 0.02 2 549 . 49 VAL C C 173.6 0.05 1 550 . 49 VAL CA C 60.9 0.05 1 551 . 49 VAL CB C 34.4 0.05 1 552 . 49 VAL CG1 C 21.5 0.05 1 553 . 49 VAL CG2 C 20.8 0.05 1 554 . 49 VAL N N 120.1 0.1 1 555 . 50 ALA H H 9.41 0.02 1 556 . 50 ALA HA H 5.39 0.02 1 557 . 50 ALA HB H 1.03 0.02 1 558 . 50 ALA C C 173.8 0.05 1 559 . 50 ALA CA C 49.4 0.05 1 560 . 50 ALA CB C 21.2 0.05 1 561 . 50 ALA N N 129.9 0.1 1 562 . 51 ASP H H 9.09 0.02 1 563 . 51 ASP HA H 5.52 0.02 1 564 . 51 ASP HB2 H 2.65 0.02 2 565 . 51 ASP HB3 H 2.43 0.02 2 566 . 51 ASP C C 174.8 0.05 1 567 . 51 ASP CA C 53.4 0.05 1 568 . 51 ASP CB C 45.5 0.05 1 569 . 51 ASP N N 122.8 0.1 1 570 . 52 ALA H H 8.75 0.02 1 571 . 52 ALA HA H 5.45 0.02 1 572 . 52 ALA HB H 1.26 0.02 1 573 . 52 ALA C C 175.9 0.05 1 574 . 52 ALA CA C 51.1 0.05 1 575 . 52 ALA CB C 24.5 0.05 1 576 . 52 ALA N N 118.8 0.1 1 577 . 53 THR H H 8.46 0.02 1 578 . 53 THR HA H 5.15 0.02 1 579 . 53 THR HB H 3.95 0.02 1 580 . 53 THR HG2 H 1.09 0.02 1 581 . 53 THR C C 174.1 0.05 1 582 . 53 THR CA C 61.4 0.05 1 583 . 53 THR CB C 70.9 0.05 1 584 . 53 THR CG2 C 21.2 0.05 1 585 . 53 THR N N 114.7 0.1 1 586 . 54 ILE H H 9.27 0.02 1 587 . 54 ILE HA H 4.48 0.02 1 588 . 54 ILE HB H 1.74 0.02 1 589 . 54 ILE HG12 H 1.45 0.02 1 590 . 54 ILE HG2 H 0.86 0.02 1 591 . 54 ILE HD1 H 0.79 0.02 1 592 . 54 ILE C C 173.8 0.05 1 593 . 54 ILE CA C 59.9 0.05 1 594 . 54 ILE CB C 41.3 0.05 1 595 . 54 ILE CG1 C 26.7 0.05 1 596 . 54 ILE CG2 C 18.0 0.05 1 597 . 54 ILE CD1 C 14.4 0.05 1 598 . 54 ILE N N 123.6 0.1 1 599 . 55 ASN H H 8.77 0.02 1 600 . 55 ASN HA H 4.91 0.02 1 601 . 55 ASN HB2 H 2.76 0.02 2 602 . 55 ASN HB3 H 2.68 0.02 2 603 . 55 ASN HD21 H 7.41 0.02 1 604 . 55 ASN HD22 H 6.78 0.02 1 605 . 55 ASN C C 173.4 0.05 1 606 . 55 ASN CA C 53.6 0.05 1 607 . 55 ASN CB C 38.9 0.05 1 608 . 55 ASN CG C 176.3 0.05 1 609 . 55 ASN N N 125.3 0.1 1 610 . 55 ASN ND2 N 110.6 0.1 1 611 . 56 THR H H 7.78 0.02 1 612 . 56 THR HA H 5.26 0.02 1 613 . 56 THR HB H 4.49 0.02 1 614 . 56 THR HG2 H 1.23 0.02 1 615 . 56 THR CA C 59.7 0.05 1 616 . 56 THR CB C 69.8 0.05 1 617 . 56 THR CG2 C 21.0 0.05 1 618 . 56 THR N N 113.4 0.1 1 619 . 57 PRO HA H 4.37 0.02 1 620 . 57 PRO HB2 H 2.40 0.02 2 621 . 57 PRO HB3 H 1.74 0.02 2 622 . 57 PRO HG2 H 2.00 0.02 2 623 . 57 PRO HG3 H 1.06 0.02 2 624 . 57 PRO HD2 H 4.00 0.02 2 625 . 57 PRO HD3 H 3.63 0.02 2 626 . 57 PRO C C 176.2 0.05 1 627 . 57 PRO CA C 64.5 0.05 1 628 . 57 PRO CB C 31.8 0.05 1 629 . 57 PRO CG C 27.9 0.05 1 630 . 57 PRO CD C 50.6 0.05 1 631 . 58 ASN H H 7.86 0.02 1 632 . 58 ASN HA H 5.00 0.02 1 633 . 58 ASN HB2 H 2.95 0.02 1 634 . 58 ASN HB3 H 2.39 0.02 1 635 . 58 ASN HD21 H 7.12 0.02 1 636 . 58 ASN HD22 H 6.62 0.02 1 637 . 58 ASN C C 173.6 0.05 1 638 . 58 ASN CA C 52.1 0.05 1 639 . 58 ASN CB C 40.0 0.05 1 640 . 58 ASN CG C 176.0 0.05 1 641 . 58 ASN N N 111.4 0.1 1 642 . 58 ASN ND2 N 110.7 0.1 1 643 . 59 GLY H H 7.46 0.02 1 644 . 59 GLY HA2 H 4.47 0.02 2 645 . 59 GLY HA3 H 3.82 0.02 2 646 . 59 GLY C C 173.4 0.05 1 647 . 59 GLY CA C 43.9 0.05 1 648 . 59 GLY N N 107.4 0.1 1 649 . 60 VAL H H 8.46 0.02 1 650 . 60 VAL HA H 4.55 0.02 1 651 . 60 VAL HB H 1.89 0.02 1 652 . 60 VAL HG1 H 0.92 0.02 2 653 . 60 VAL HG2 H 0.79 0.02 2 654 . 60 VAL C C 175.3 0.05 1 655 . 60 VAL CA C 62.2 0.05 1 656 . 60 VAL CB C 32.8 0.05 1 657 . 60 VAL CG1 C 21.4 0.05 2 658 . 60 VAL CG2 C 20.9 0.05 2 659 . 60 VAL N N 120.7 0.1 1 660 . 61 LEU H H 9.16 0.02 1 661 . 61 LEU HA H 4.67 0.02 1 662 . 61 LEU HB2 H 1.52 0.02 2 663 . 61 LEU HB3 H 1.33 0.02 2 664 . 61 LEU HD1 H 0.74 0.02 2 665 . 61 LEU HD2 H 0.68 0.02 2 666 . 61 LEU C C 174.8 0.05 1 667 . 61 LEU CA C 53.5 0.05 1 668 . 61 LEU CB C 43.7 0.05 1 669 . 61 LEU CG C 25.5 0.05 1 670 . 61 LEU CD1 C 23.8 0.05 1 671 . 61 LEU CD2 C 18.8 0.05 1 672 . 61 LEU N N 128.3 0.1 1 673 . 62 VAL H H 8.25 0.02 1 674 . 62 VAL HA H 5.01 0.02 1 675 . 62 VAL HB H 1.94 0.02 1 676 . 62 VAL HG1 H 0.93 0.02 2 677 . 62 VAL HG2 H 0.82 0.02 2 678 . 62 VAL C C 175.2 0.05 1 679 . 62 VAL CA C 59.9 0.05 1 680 . 62 VAL CB C 34.5 0.05 1 681 . 62 VAL CG1 C 21.0 0.05 1 682 . 62 VAL CG2 C 20.3 0.05 1 683 . 62 VAL N N 119.8 0.1 1 684 . 63 ALA H H 8.40 0.02 1 685 . 63 ALA HA H 4.74 0.02 1 686 . 63 ALA HB H 1.22 0.02 1 687 . 63 ALA C C 174.5 0.05 1 688 . 63 ALA CA C 51.1 0.05 1 689 . 63 ALA CB C 23.6 0.05 1 690 . 63 ALA N N 124.3 0.1 1 691 . 64 SER H H 7.97 0.1 1 692 . 64 SER HA H 5.65 0.02 1 693 . 64 SER HB2 H 3.65 0.02 2 694 . 64 SER HB3 H 3.55 0.02 2 695 . 64 SER C C 173.4 0.05 1 696 . 64 SER CA C 57.0 0.05 1 697 . 64 SER CB C 65.7 0.05 1 698 . 64 SER N N 112.4 0.1 1 699 . 65 GLY H H 9.42 0.02 1 700 . 65 GLY HA2 H 4.67 0.02 2 701 . 65 GLY HA3 H 3.81 0.02 2 702 . 65 GLY C C 173.1 0.05 1 703 . 65 GLY CA C 43.9 0.05 1 704 . 65 GLY N N 111.9 0.1 1 705 . 66 LYS H H 8.46 0.02 1 706 . 66 LYS HA H 5.53 0.02 1 707 . 66 LYS HB2 H 1.74 0.02 1 708 . 66 LYS HB3 H 1.74 0.02 1 709 . 66 LYS HG2 H 1.28 0.02 1 710 . 66 LYS HG3 H 1.28 0.02 1 711 . 66 LYS HD2 H 1.45 0.02 1 712 . 66 LYS HD3 H 1.45 0.02 1 713 . 66 LYS HE2 H 2.76 0.02 1 714 . 66 LYS HE3 H 2.76 0.02 1 715 . 66 LYS C C 174.8 0.05 1 716 . 66 LYS CA C 54.5 0.05 1 717 . 66 LYS CB C 35.6 0.05 1 718 . 66 LYS CG C 24.5 0.05 1 719 . 66 LYS CD C 29.4 0.05 1 720 . 66 LYS CE C 41.7 0.05 1 721 . 66 LYS N N 120.6 0.1 1 722 . 67 HIS H H 8.57 0.02 1 723 . 67 HIS HA H 4.35 0.02 1 724 . 67 HIS HB2 H 3.17 0.02 2 725 . 67 HIS HB3 H 3.00 0.02 2 726 . 67 HIS HD2 H 7.29 0.02 1 727 . 67 HIS HE1 H 7.82 0.02 1 728 . 67 HIS C C 173.2 0.05 1 729 . 67 HIS CA C 59.2 0.05 1 730 . 67 HIS CB C 32.5 0.05 1 731 . 67 HIS CD2 C 118.4 0.05 1 732 . 67 HIS CE1 C 137.2 0.05 1 733 . 67 HIS N N 121.6 0.1 1 734 . 68 GLU H H 7.94 0.02 1 735 . 68 GLU HA H 4.26 0.02 1 736 . 68 GLU HB2 H 2.10 0.02 2 737 . 68 GLU HB3 H 1.95 0.02 2 738 . 68 GLU HG2 H 2.28 0.02 2 739 . 68 GLU HG3 H 2.20 0.02 2 740 . 68 GLU C C 175.9 0.05 1 741 . 68 GLU CA C 59.5 0.05 1 742 . 68 GLU CB C 29.4 0.05 1 743 . 68 GLU CG C 36.2 0.05 1 744 . 68 GLU N N 124.1 0.1 1 745 . 69 ASP H H 11.9 0.02 1 746 . 69 ASP HA H 5.06 0.02 1 747 . 69 ASP HB2 H 3.12 0.02 2 748 . 69 ASP HB3 H 2.89 0.02 2 749 . 69 ASP C C 175.6 0.05 1 750 . 69 ASP CA C 52.9 0.05 1 751 . 69 ASP CB C 43.3 0.05 1 752 . 69 ASP N N 124.1 0.1 1 753 . 70 MET H H 8.33 0.02 1 754 . 70 MET HA H 3.10 0.02 1 755 . 70 MET HB2 H 1.00 0.02 2 756 . 70 MET HB3 H 0.16 0.02 2 757 . 70 MET HG2 H 1.53 0.02 2 758 . 70 MET HG3 H 1.40 0.02 2 759 . 70 MET HE H 1.95 0.02 1 760 . 70 MET C C 177.0 0.05 1 761 . 70 MET CA C 59.8 0.05 1 762 . 70 MET CB C 31.9 0.05 1 763 . 70 MET CG C 30.1 0.05 1 764 . 70 MET CE C 16.9 0.05 1 765 . 70 MET N N 126.7 0.1 1 766 . 71 TYR H H 8.02 0.02 1 767 . 71 TYR HA H 3.76 0.02 1 768 . 71 TYR HB2 H 2.85 0.02 2 769 . 71 TYR HB3 H 2.48 0.02 2 770 . 71 TYR HD1 H 6.52 0.02 1 771 . 71 TYR HD2 H 6.52 0.02 1 772 . 71 TYR HE1 H 6.41 0.02 1 773 . 71 TYR HE2 H 6.41 0.02 1 774 . 71 TYR C C 178.2 0.05 1 775 . 71 TYR CA C 61.4 0.05 1 776 . 71 TYR CB C 35.6 0.05 1 777 . 71 TYR CD1 C 131.3 0.05 1 778 . 71 TYR CD2 C 131.3 0.05 1 779 . 71 TYR CE1 C 117.0 0.05 1 780 . 71 TYR CE2 C 117.0 0.05 1 781 . 71 TYR N N 115.8 0.1 1 782 . 72 THR H H 8.07 0.02 1 783 . 72 THR HA H 3.80 0.02 1 784 . 72 THR HB H 3.86 0.02 1 785 . 72 THR HG2 H 0.48 0.02 1 786 . 72 THR C C 175.5 0.05 1 787 . 72 THR CA C 66.5 0.05 1 788 . 72 THR CB C 67.9 0.05 1 789 . 72 THR CG2 C 20.5 0.05 1 790 . 72 THR N N 118.0 0.1 1 791 . 73 ALA H H 8.27 0.02 1 792 . 73 ALA HA H 3.60 0.02 1 793 . 73 ALA HB H 1.41 0.02 1 794 . 73 ALA C C 179.0 0.05 1 795 . 73 ALA CA C 56.1 0.05 1 796 . 73 ALA CB C 17.0 0.05 1 797 . 73 ALA N N 124.5 0.1 1 798 . 74 ILE H H 7.58 0.02 1 799 . 74 ILE HA H 3.32 0.02 1 800 . 74 ILE HB H 1.90 0.02 1 801 . 74 ILE HG12 H 1.45 0.02 1 802 . 74 ILE HG13 H 1.04 0.02 1 803 . 74 ILE HG2 H 0.85 0.02 1 804 . 74 ILE HD1 H 0.66 0.02 1 805 . 74 ILE C C 176.6 0.05 1 806 . 74 ILE CA C 65.1 0.05 1 807 . 74 ILE CB C 37.7 0.05 1 808 . 74 ILE CG1 C 29.5 0.05 1 809 . 74 ILE CG2 C 17.8 0.05 1 810 . 74 ILE CD1 C 13.3 0.05 1 811 . 74 ILE N N 115.3 0.1 1 812 . 75 ASN H H 8.47 0.02 1 813 . 75 ASN HA H 4.28 0.02 1 814 . 75 ASN HB2 H 2.96 0.02 2 815 . 75 ASN HB3 H 2.83 0.02 2 816 . 75 ASN HD21 H 7.52 0.02 1 817 . 75 ASN HD22 H 6.85 0.02 1 818 . 75 ASN C C 178.0 0.05 1 819 . 75 ASN CA C 56.1 0.05 1 820 . 75 ASN CB C 37.7 0.05 1 821 . 75 ASN CG C 175.7 0.05 1 822 . 75 ASN N N 119.7 0.1 1 823 . 75 ASN ND2 N 109.3 0.1 1 824 . 76 GLU H H 8.67 0.02 1 825 . 76 GLU HA H 4.15 0.02 1 826 . 76 GLU HB2 H 2.16 0.02 1 827 . 76 GLU HB3 H 2.16 0.02 1 828 . 76 GLU HG2 H 2.32 0.02 2 829 . 76 GLU HG3 H 2.42 0.02 2 830 . 76 GLU C C 178.6 0.05 1 831 . 76 GLU CA C 58.1 0.05 1 832 . 76 GLU CB C 29.2 0.05 1 833 . 76 GLU CG C 36.4 0.05 1 834 . 76 GLU N N 119.5 0.1 1 835 . 77 LEU H H 7.87 0.02 1 836 . 77 LEU HA H 3.80 0.02 1 837 . 77 LEU HB2 H 2.32 0.02 2 838 . 77 LEU HB3 H 1.56 0.02 2 839 . 77 LEU HG H 1.22 0.02 1 840 . 77 LEU HD1 H 0.91 0.02 2 841 . 77 LEU HD2 H 0.76 0.02 2 842 . 77 LEU C C 177.5 0.05 1 843 . 77 LEU CA C 58.2 0.05 1 844 . 77 LEU CB C 40.3 0.05 1 845 . 77 LEU CG C 27.4 0.05 1 846 . 77 LEU CD1 C 25.5 0.05 1 847 . 77 LEU CD2 C 23.3 0.05 1 848 . 77 LEU N N 120.2 0.1 1 849 . 78 ILE H H 8.16 0.02 1 850 . 78 ILE HA H 3.50 0.02 1 851 . 78 ILE HB H 1.99 0.02 1 852 . 78 ILE HG12 H 1.41 0.02 1 853 . 78 ILE HG13 H 1.30 0.02 1 854 . 78 ILE HG2 H 0.82 0.02 1 855 . 78 ILE HD1 H 0.54 0.02 1 856 . 78 ILE C C 177.3 0.05 1 857 . 78 ILE CA C 63.9 0.05 1 858 . 78 ILE CB C 35.6 0.05 1 859 . 78 ILE CG1 C 28.5 0.05 1 860 . 78 ILE CG2 C 17.8 0.05 1 861 . 78 ILE CD1 C 11.2 0.05 1 862 . 78 ILE N N 117.2 0.1 1 863 . 79 ASN H H 8.33 0.02 1 864 . 79 ASN HA H 4.50 0.02 1 865 . 79 ASN HB2 H 2.98 0.02 2 866 . 79 ASN HB3 H 2.80 0.02 2 867 . 79 ASN HD21 H 7.58 0.02 1 868 . 79 ASN HD22 H 6.83 0.02 1 869 . 79 ASN C C 178.3 0.02 1 870 . 79 ASN CA C 56.0 0.05 1 871 . 79 ASN CB C 37.6 0.05 1 872 . 79 ASN CG C 175.6 0.05 1 873 . 79 ASN N N 118.4 0.1 1 874 . 79 ASN ND2 N 110.2 0.1 1 875 . 80 LYS H H 8.13 0.02 1 876 . 80 LYS HA H 4.00 0.02 1 877 . 80 LYS HB2 H 2.00 0.02 2 878 . 80 LYS HB3 H 1.80 0.02 2 879 . 80 LYS HG2 H 1.40 0.02 1 880 . 80 LYS HG3 H 1.40 0.02 1 881 . 80 LYS HD2 H 1.60 0.02 1 882 . 80 LYS HD3 H 1.60 0.02 1 883 . 80 LYS HE2 H 3.14 0.02 1 884 . 80 LYS HE3 H 3.14 0.02 1 885 . 80 LYS C C 179.5 0.05 1 886 . 80 LYS CA C 59.7 0.05 1 887 . 80 LYS CB C 32.5 0.05 1 888 . 80 LYS CG C 26.0 0.05 1 889 . 80 LYS CD C 29.5 0.05 1 890 . 80 LYS CE C 42.3 0.05 1 891 . 80 LYS N N 119.7 0.1 1 892 . 81 LEU H H 8.35 0.02 1 893 . 81 LEU HA H 3.85 0.02 1 894 . 81 LEU HB2 H 1.94 0.02 2 895 . 81 LEU HB3 H 1.16 0.02 2 896 . 81 LEU HG H 1.70 0.02 1 897 . 81 LEU HD1 H 0.60 0.02 2 898 . 81 LEU HD2 H 0.52 0.02 2 899 . 81 LEU C C 178.0 0.05 1 900 . 81 LEU CA C 57.9 0.05 1 901 . 81 LEU CB C 41.7 0.05 1 902 . 81 LEU CG C 25.3 0.05 1 903 . 81 LEU CD1 C 24.8 0.05 1 904 . 81 LEU CD2 C 23.1 0.05 1 905 . 81 LEU N N 119.9 0.1 1 906 . 82 GLU H H 8.57 0.02 1 907 . 82 GLU HA H 3.56 0.02 1 908 . 82 GLU HB2 H 2.21 0.02 2 909 . 82 GLU HB3 H 2.06 0.02 2 910 . 82 GLU HG2 H 2.24 0.02 1 911 . 82 GLU HG3 H 2.24 0.02 1 912 . 82 GLU C C 177.9 0.05 1 913 . 82 GLU CA C 60.2 0.05 1 914 . 82 GLU CB C 29.3 0.05 1 915 . 82 GLU CG C 36.2 0.05 1 916 . 82 GLU N N 118.6 0.1 1 917 . 83 ARG H H 7.70 0.02 1 918 . 83 ARG HA H 4.49 0.02 1 919 . 83 ARG HB2 H 1.90 0.02 2 920 . 83 ARG HB3 H 1.84 0.02 2 921 . 83 ARG HG2 H 1.66 0.02 1 922 . 83 ARG HG3 H 1.66 0.02 1 923 . 83 ARG HD2 H 3.22 0.02 1 924 . 83 ARG HD3 H 3.22 0.02 1 925 . 83 ARG C C 179.2 0.05 1 926 . 83 ARG CA C 59.1 0.05 1 927 . 83 ARG CB C 30.1 0.05 1 928 . 83 ARG CG C 27.5 0.05 1 929 . 83 ARG CD C 43.2 0.05 1 930 . 83 ARG N N 116.6 0.1 1 931 . 84 GLN H H 7.90 0.02 1 932 . 84 GLN HA H 4.02 0.02 1 933 . 84 GLN HB2 H 2.05 0.02 1 934 . 84 GLN HB3 H 2.05 0.02 1 935 . 84 GLN HG2 H 2.50 0.02 1 936 . 84 GLN HG3 H 2.50 0.02 1 937 . 84 GLN HE21 H 7.03 0.02 1 938 . 84 GLN HE22 H 7.03 0.02 1 939 . 84 GLN C C 178.6 0.05 1 940 . 84 GLN CA C 58.6 0.05 1 941 . 84 GLN CB C 28.9 0.05 1 942 . 84 GLN CG C 34.2 0.05 1 943 . 84 GLN CD C 179.0 0.05 1 944 . 84 GLN N N 117.3 0.1 1 945 . 84 GLN NE2 N 108.3 0.1 1 946 . 85 LEU H H 8.38 0.02 1 947 . 85 LEU HA H 3.70 0.02 1 948 . 85 LEU HB2 H 1.44 0.02 2 949 . 85 LEU HB3 H 1.30 0.02 2 950 . 85 LEU HD1 H 0.73 0.02 2 951 . 85 LEU HD2 H 0.56 0.02 2 952 . 85 LEU C C 178.3 0.02 1 953 . 85 LEU CA C 57.6 0.05 1 954 . 85 LEU CB C 40.1 0.05 1 955 . 85 LEU CG C 26.8 0.05 1 956 . 85 LEU CD1 C 25.0 0.05 1 957 . 85 LEU CD2 C 23.8 0.05 1 958 . 85 LEU N N 120.4 0.1 1 959 . 86 ASN H H 7.89 0.02 1 960 . 86 ASN HA H 4.43 0.02 1 961 . 86 ASN HB2 H 2.74 0.02 1 962 . 86 ASN HB3 H 2.74 0.02 1 963 . 86 ASN HD21 H 7.47 0.02 1 964 . 86 ASN HD22 H 7.03 0.02 1 965 . 86 ASN C C 176.9 0.05 1 966 . 86 ASN CA C 55.5 0.05 1 967 . 86 ASN CB C 38.5 0.05 1 968 . 86 ASN CG C 175.8 0.05 1 969 . 86 ASN N N 116.0 0.1 1 970 . 86 ASN ND2 N 111.4 0.1 1 971 . 87 LYS H H 7.52 0.02 1 972 . 87 LYS HA H 4.15 0.02 1 973 . 87 LYS HB2 H 1.83 0.02 1 974 . 87 LYS HB3 H 1.83 0.02 1 975 . 87 LYS HG2 H 1.55 0.02 1 976 . 87 LYS HG3 H 1.55 0.02 1 977 . 87 LYS HD2 H 1.65 0.02 1 978 . 87 LYS HD3 H 1.65 0.02 1 979 . 87 LYS HE2 H 3.00 0.02 1 980 . 87 LYS HE3 H 3.00 0.02 1 981 . 87 LYS C C 178.0 0.05 1 982 . 87 LYS CA C 58.1 0.05 1 983 . 87 LYS CB C 32.2 0.05 1 984 . 87 LYS CG C 29.0 0.05 1 985 . 87 LYS CD C 24.8 0.05 1 986 . 87 LYS CE C 41.8 0.05 1 987 . 87 LYS N N 118.0 0.1 1 988 . 88 LEU H H 7.70 0.02 1 989 . 88 LEU HA H 4.15 0.02 1 990 . 88 LEU HB2 H 1.75 0.02 1 991 . 88 LEU HB3 H 1.51 0.02 1 992 . 88 LEU HD1 H 0.81 0.02 2 993 . 88 LEU HD2 H 0.78 0.02 2 994 . 88 LEU C C 177.6 0.05 1 995 . 88 LEU CA C 56.4 0.05 1 996 . 88 LEU CB C 41.9 0.05 1 997 . 88 LEU CG C 27.0 0.05 1 998 . 88 LEU CD1 C 25.1 0.05 1 999 . 88 LEU CD2 C 23.0 0.05 1 1000 . 88 LEU N N 118.8 0.1 1 1001 . 89 GLN H H 7.84 0.02 1 1002 . 89 GLN HA H 4.22 0.02 1 1003 . 89 GLN HB2 H 2.05 0.02 1 1004 . 89 GLN HB3 H 2.05 0.02 1 1005 . 89 GLN HG2 H 2.27 0.02 1 1006 . 89 GLN HG3 H 2.27 0.02 1 1007 . 89 GLN HE21 H 7.38 0.02 1 1008 . 89 GLN HE22 H 6.81 0.02 1 1009 . 89 GLN C C 175.6 0.05 1 1010 . 89 GLN CA C 56.3 0.05 1 1011 . 89 GLN CB C 28.9 0.05 1 1012 . 89 GLN CG C 33.3 0.05 1 1013 . 89 GLN CD C 179.7 0.05 1 1014 . 89 GLN N N 117.0 0.1 1 1015 . 89 GLN NE2 N 110.6 0.1 1 1016 . 90 HIS H H 8.02 0.02 1 1017 . 90 HIS HA H 4.64 0.02 1 1018 . 90 HIS HB2 H 3.18 0.02 1 1019 . 90 HIS HB3 H 3.08 0.02 1 1020 . 90 HIS HD2 H 7.12 0.02 1 1021 . 90 HIS HE1 H 8.11 0.02 1 1022 . 90 HIS C C 175.0 0.05 1 1023 . 90 HIS CA C 56.3 0.05 1 1024 . 90 HIS CB C 29.6 0.05 1 1025 . 90 HIS CD2 C 119.9 0.05 1 1026 . 90 HIS CE1 C 137.3 0.05 1 1027 . 90 HIS N N 117.9 0.1 1 1028 . 91 LYS H H 8.15 0.02 1 1029 . 91 LYS HA H 4.24 0.02 1 1030 . 91 LYS HB2 H 1.76 0.02 1 1031 . 91 LYS HB3 H 1.76 0.02 1 1032 . 91 LYS HG2 H 1.38 0.02 1 1033 . 91 LYS HG3 H 1.38 0.02 1 1034 . 91 LYS HE2 H 2.95 0.02 1 1035 . 91 LYS HE3 H 2.95 0.02 1 1036 . 91 LYS C C 176.7 0.05 1 1037 . 91 LYS CA C 56.8 0.05 1 1038 . 91 LYS CB C 32.5 0.05 1 1039 . 91 LYS CG C 24.5 0.05 1 1040 . 91 LYS CD C 28.9 0.05 1 1041 . 91 LYS CE C 41.9 0.05 1 1042 . 91 LYS N N 121.3 0.1 1 1043 . 92 GLY H H 8.37 0.02 1 1044 . 92 GLY HA2 H 3.95 0.02 1 1045 . 92 GLY HA3 H 3.95 0.02 1 1046 . 92 GLY C C 173.7 0.05 1 1047 . 92 GLY CA C 45.2 0.05 1 1048 . 92 GLY N N 108.8 0.1 1 1049 . 93 GLU H H 8.15 0.02 1 1050 . 93 GLU HA H 4.33 0.02 1 1051 . 93 GLU HB2 H 2.10 0.02 1 1052 . 93 GLU HB3 H 2.10 0.02 1 1053 . 93 GLU HG2 H 2.34 0.02 1 1054 . 93 GLU HG3 H 2.34 0.02 1 1055 . 93 GLU C C 175.8 0.05 1 1056 . 93 GLU CA C 56.3 0.05 1 1057 . 93 GLU CB C 30.1 0.05 1 1058 . 93 GLU CG C 36.0 0.05 1 1059 . 93 GLU N N 119.9 0.1 1 1060 . 94 ALA H H 8.25 0.02 1 1061 . 94 ALA HA H 4.26 0.02 1 1062 . 94 ALA HB H 1.33 0.02 1 1063 . 94 ALA C C 176.9 0.05 1 1064 . 94 ALA CA C 52.6 0.05 1 1065 . 94 ALA CB C 18.7 0.05 1 1066 . 94 ALA N N 123.6 0.1 1 1067 . 95 ARG H H 8.22 0.02 1 1068 . 95 ARG HA H 4.28 0.02 1 1069 . 95 ARG HB2 H 1.76 0.02 1 1070 . 95 ARG HB3 H 1.76 0.02 1 1071 . 95 ARG HG2 H 1.57 0.02 1 1072 . 95 ARG HG3 H 1.57 0.02 1 1073 . 95 ARG HD2 H 3.14 0.02 1 1074 . 95 ARG HD3 H 3.14 0.02 1 1075 . 95 ARG C C 175.8 0.05 1 1076 . 95 ARG CA C 56.0 0.05 1 1077 . 95 ARG CB C 30.4 0.05 1 1078 . 95 ARG CG C 26.9 0.05 1 1079 . 95 ARG CD C 43.0 0.05 1 1080 . 95 ARG N N 119.3 0.1 1 1081 . 96 ARG H H 8.26 0.02 1 1082 . 96 ARG HA H 4.28 0.02 1 1083 . 96 ARG HB2 H 1.90 0.02 1 1084 . 96 ARG HB3 H 1.90 0.02 1 1085 . 96 ARG HG2 H 1.60 0.02 1 1086 . 96 ARG HG3 H 1.60 0.02 1 1087 . 96 ARG HD2 H 3.15 0.02 1 1088 . 96 ARG HD3 H 3.15 0.02 1 1089 . 96 ARG C C 175.5 0.05 1 1090 . 96 ARG CA C 55.9 0.05 1 1091 . 96 ARG CB C 30.5 0.05 1 1092 . 96 ARG N N 121.4 0.1 1 1093 . 97 ALA H H 8.28 0.02 1 1094 . 97 ALA HA H 4.25 0.02 1 1095 . 97 ALA HB H 1.34 0.02 1 1096 . 97 ALA C C 175.8 0.05 1 1097 . 97 ALA CA C 52.4 0.05 1 1098 . 97 ALA CB C 18.9 0.05 1 1099 . 97 ALA N N 124.1 0.1 1 1100 . 98 ALA H H 8.27 0.02 1 1101 . 98 ALA HA H 4.35 0.02 1 1102 . 98 ALA HB H 1.36 0.02 1 1103 . 98 ALA CA C 52.3 0.05 1 1104 . 98 ALA CB C 18.9 0.05 1 1105 . 98 ALA N N 122.2 0.1 1 1106 . 99 THR H H 8.03 0.02 1 1107 . 99 THR HA H 4.35 0.02 1 1108 . 99 THR HB H 4.10 0.02 1 1109 . 99 THR HG2 H 1.15 0.02 1 1110 . 99 THR C C 177.5 0.05 1 1111 . 99 THR CA C 61.4 0.05 1 1112 . 99 THR CB C 69.5 0.05 1 1113 . 99 THR CG2 C 21.3 0.05 1 1114 . 99 THR N N 111.5 0.1 1 1115 . 100 SER H H 8.22 0.02 1 1116 . 100 SER HA H 4.47 0.02 1 1117 . 100 SER HB2 H 3.83 0.02 1 1118 . 100 SER HB3 H 3.83 0.02 1 1119 . 100 SER C C 176.9 0.05 1 1120 . 100 SER CA C 57.7 0.05 1 1121 . 100 SER CB C 63.7 0.05 1 1122 . 100 SER N N 117.0 0.1 1 1123 . 101 VAL H H 8.08 0.02 1 1124 . 101 VAL HA H 4.09 0.02 1 1125 . 101 VAL HB H 1.95 0.02 1 1126 . 101 VAL HG1 H 0.85 0.02 1 1127 . 101 VAL HG2 H 0.85 0.02 1 1128 . 101 VAL C C 175.5 0.05 1 1129 . 101 VAL CA C 62.1 0.05 1 1130 . 101 VAL CB C 32.3 0.05 1 1131 . 101 VAL CG1 C 21.1 0.05 1 1132 . 101 VAL CG2 C 20.1 0.05 1 1133 . 101 VAL N N 120.9 0.1 1 1134 . 102 LYS H H 8.27 0.02 1 1135 . 102 LYS HA H 4.22 0.02 1 1136 . 102 LYS HB2 H 1.78 0.02 1 1137 . 102 LYS HB3 H 1.78 0.02 1 1138 . 102 LYS HG2 H 1.35 0.02 1 1139 . 102 LYS HG3 H 1.35 0.02 1 1140 . 102 LYS HD2 H 1.60 0.02 1 1141 . 102 LYS HD3 H 1.60 0.02 1 1142 . 102 LYS HE2 H 2.85 0.02 1 1143 . 102 LYS HE3 H 2.85 0.02 1 1144 . 102 LYS C C 176.0 0.05 1 1145 . 102 LYS CA C 56.0 0.05 1 1146 . 102 LYS CB C 32.5 0.05 1 1147 . 102 LYS CG C 24.4 0.05 1 1148 . 102 LYS CD C 29.1 0.05 1 1149 . 102 LYS CE C 41.8 0.05 1 1150 . 102 LYS N N 123.6 0.1 1 1151 . 103 ASP H H 8.16 0.02 1 1152 . 103 ASP HA H 4.58 0.02 1 1153 . 103 ASP HB2 H 2.66 0.02 2 1154 . 103 ASP HB3 H 2.51 0.02 2 1155 . 103 ASP C C 173.0 0.05 1 1156 . 103 ASP CA C 54.0 0.05 1 1157 . 103 ASP CB C 41.1 0.05 1 1158 . 103 ASP N N 120.7 0.1 1 1159 . 104 ALA H H 8.20 0.02 1 1160 . 104 ALA HA H 4.22 0.02 1 1161 . 104 ALA HB H 1.28 0.02 1 1162 . 104 ALA C C 176.4 0.05 1 1163 . 104 ALA CA C 52.8 0.05 1 1164 . 104 ALA CB C 18.8 0.05 1 1165 . 104 ALA N N 123.4 0.1 1 1166 . 105 ASN H H 8.34 0.02 1 1167 . 105 ASN HA H 4.61 0.02 1 1168 . 105 ASN HB2 H 2.74 0.02 2 1169 . 105 ASN HB3 H 2.61 0.02 2 1170 . 105 ASN HD21 H 7.51 0.02 1 1171 . 105 ASN HD22 H 6.84 0.02 1 1172 . 105 ASN C C 178.7 0.05 1 1173 . 105 ASN CA C 52.9 0.05 1 1174 . 105 ASN CB C 38.6 0.05 1 1175 . 105 ASN CG C 177.5 0.05 1 1176 . 105 ASN N N 115.7 0.1 1 1177 . 105 ASN ND2 N 112.5 0.1 1 1178 . 106 PHE H H 7.94 0.02 1 1179 . 106 PHE HA H 4.54 0.02 1 1180 . 106 PHE HB2 H 3.10 0.02 2 1181 . 106 PHE HB3 H 3.00 0.02 2 1182 . 106 PHE HD1 H 7.22 0.02 1 1183 . 106 PHE HD2 H 7.22 0.02 1 1184 . 106 PHE HE1 H 7.40 0.02 1 1185 . 106 PHE HE2 H 7.40 0.02 1 1186 . 106 PHE HZ H 7.35 0.02 1 1187 . 106 PHE C C 176.2 0.05 1 1188 . 106 PHE CA C 57.9 0.05 1 1189 . 106 PHE CB C 39.3 0.05 1 1190 . 106 PHE CD1 C 131.5 0.05 1 1191 . 106 PHE CD2 C 131.5 0.05 1 1192 . 106 PHE CE1 C 131.5 0.05 1 1193 . 106 PHE CE2 C 131.5 0.05 1 1194 . 106 PHE CZ C 130.0 0.05 1 1195 . 106 PHE N N 119.9 0.1 1 1196 . 107 VAL H H 7.88 0.02 1 1197 . 107 VAL HA H 4.02 0.02 1 1198 . 107 VAL HB H 1.94 0.02 1 1199 . 107 VAL HG1 H 0.82 0.02 1 1200 . 107 VAL HG2 H 0.82 0.02 1 1201 . 107 VAL C C 175.5 0.05 1 1202 . 107 VAL CA C 61.6 0.05 1 1203 . 107 VAL CB C 32.8 0.05 1 1204 . 107 VAL CG1 C 21.0 0.05 1 1205 . 107 VAL CG2 C 20.4 0.05 1 1206 . 107 VAL N N 122.6 0.1 1 1207 . 108 GLU H H 8.27 0.02 1 1208 . 108 GLU HA H 4.22 0.02 1 1209 . 108 GLU HB2 H 1.90 0.02 2 1210 . 108 GLU HB3 H 1.80 0.02 2 1211 . 108 GLU HG2 H 2.19 0.02 1 1212 . 108 GLU HG3 H 2.19 0.02 1 1213 . 108 GLU C C 175.4 0.05 1 1214 . 108 GLU CA C 56.1 0.05 1 1215 . 108 GLU CB C 30.8 0.05 1 1216 . 108 GLU CG C 35.9 0.05 1 1217 . 108 GLU N N 124.0 0.1 1 1218 . 109 GLU H H 8.39 0.02 1 1219 . 109 GLU HA H 4.28 0.02 1 1220 . 109 GLU HB2 H 2.00 0.02 2 1221 . 109 GLU HB3 H 1.90 0.02 2 1222 . 109 GLU HG2 H 2.19 0.02 1 1223 . 109 GLU HG3 H 2.19 0.02 1 1224 . 109 GLU C C 175.9 0.05 1 1225 . 109 GLU CA C 56.1 0.05 1 1226 . 109 GLU CB C 30.1 0.05 1 1227 . 109 GLU CG C 35.8 0.05 1 1228 . 109 GLU N N 122.1 0.1 1 1229 . 110 VAL H H 8.19 0.02 1 1230 . 110 VAL HA H 4.14 0.02 1 1231 . 110 VAL HB H 2.00 0.02 1 1232 . 110 VAL HG1 H 0.90 0.02 2 1233 . 110 VAL HG2 H 0.80 0.02 2 1234 . 110 VAL C C 175.6 0.05 1 1235 . 110 VAL CA C 61.7 0.05 1 1236 . 110 VAL CB C 32.9 0.05 1 1237 . 110 VAL CG1 C 21.0 0.05 1 1238 . 110 VAL CG2 C 20.1 0.05 1 1239 . 110 VAL N N 120.8 0.1 1 1240 . 111 GLU H H 8.47 0.02 1 1241 . 111 GLU HA H 4.28 0.02 1 1242 . 111 GLU HB2 H 1.90 0.02 2 1243 . 111 GLU HB3 H 1.80 0.02 2 1244 . 111 GLU HG2 H 2.20 0.02 1 1245 . 111 GLU HG3 H 2.20 0.02 1 1246 . 111 GLU C C 175.9 0.05 1 1247 . 111 GLU CA C 56.1 0.05 1 1248 . 111 GLU CB C 30.4 0.05 1 1249 . 111 GLU CG C 35.9 0.05 1 1250 . 111 GLU N N 124.6 0.1 1 1251 . 112 GLU H H 8.39 0.02 1 1252 . 112 GLU HA H 4.30 0.02 1 1253 . 112 GLU HB2 H 2.00 0.02 2 1254 . 112 GLU HB3 H 1.90 0.02 2 1255 . 112 GLU HG2 H 2.20 0.02 1 1256 . 112 GLU HG3 H 2.20 0.02 1 1257 . 112 GLU C C 175.2 0.05 1 1258 . 112 GLU CA C 56.1 0.05 1 1259 . 112 GLU CB C 30.5 0.05 1 1260 . 112 GLU CG C 35.9 0.05 1 1261 . 112 GLU N N 122.4 0.1 1 1262 . 113 GLU H H 8.04 0.02 1 1263 . 113 GLU HA H 4.09 0.02 1 1264 . 113 GLU HB2 H 2.00 0.02 2 1265 . 113 GLU HB3 H 1.80 0.02 2 1266 . 113 GLU HG2 H 2.20 0.02 1 1267 . 113 GLU HG3 H 2.20 0.02 1 1268 . 113 GLU CA C 57.8 0.05 1 1269 . 113 GLU CB C 30.8 0.05 1 1270 . 113 GLU N N 126.7 0.1 1 stop_ save_