data_5315 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignment for ribosome-associated factor Y ; _BMRB_accession_number 5315 _BMRB_flat_file_name bmr5315.str _Entry_type original _Submission_date 2002-03-08 _Accession_date 2002-03-08 _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 Ye Keqiong . . 2 Serganov Alexander . . 3 Hu Weidong . . 4 Patel Dinshaw J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 674 "13C chemical shifts" 499 "15N chemical shifts" 120 "coupling constants" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-02-20 original author . stop_ _Original_release_date 2003-02-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Ribosome-associated Factor Y adopts a Fold resembling a Double-stranded RNA Binding Domain Scaffold ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22280969 _PubMed_ID 12392550 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ye Keqiong . . 2 Serganov Alexander . . 3 Hu Weidong . . 4 Patel Dinshaw J. . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 269 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5182 _Page_last 5191 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_pY _Saveframe_category molecular_system _Mol_system_name 'Protein Yfia' _Abbreviation_common pY _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein Yfia' $pY stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'Ribosome associated factor' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_pY _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Protein Yfia' _Abbreviation_common pY _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; TMNITSKQMEITPAIRQHVA DRLAKLEKWQTHLINPHIIL SKEPQGFVADATINTPNGVL VASGKHEDMYTAINELINKL ERQLNKLQHKGEARRAATSV KDANFVEEVEEE ; loop_ _Residue_seq_code _Residue_label 1 THR 2 MET 3 ASN 4 ILE 5 THR 6 SER 7 LYS 8 GLN 9 MET 10 GLU 11 ILE 12 THR 13 PRO 14 ALA 15 ILE 16 ARG 17 GLN 18 HIS 19 VAL 20 ALA 21 ASP 22 ARG 23 LEU 24 ALA 25 LYS 26 LEU 27 GLU 28 LYS 29 TRP 30 GLN 31 THR 32 HIS 33 LEU 34 ILE 35 ASN 36 PRO 37 HIS 38 ILE 39 ILE 40 LEU 41 SER 42 LYS 43 GLU 44 PRO 45 GLN 46 GLY 47 PHE 48 VAL 49 ALA 50 ASP 51 ALA 52 THR 53 ILE 54 ASN 55 THR 56 PRO 57 ASN 58 GLY 59 VAL 60 LEU 61 VAL 62 ALA 63 SER 64 GLY 65 LYS 66 HIS 67 GLU 68 ASP 69 MET 70 TYR 71 THR 72 ALA 73 ILE 74 ASN 75 GLU 76 LEU 77 ILE 78 ASN 79 LYS 80 LEU 81 GLU 82 ARG 83 GLN 84 LEU 85 ASN 86 LYS 87 LEU 88 GLN 89 HIS 90 LYS 91 GLY 92 GLU 93 ALA 94 ARG 95 ARG 96 ALA 97 ALA 98 THR 99 SER 100 VAL 101 LYS 102 ASP 103 ALA 104 ASN 105 PHE 106 VAL 107 GLU 108 GLU 109 VAL 110 GLU 111 GLU 112 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 5389 Yfia_monomer 100.00 113 100.00 100.00 2.79e-75 PDB 1L4S "Solution Structure Of Ribosome Associated Factor Y" 100.00 112 100.00 100.00 2.35e-75 PDB 1N3G "Solution Structure Of The Ribosome-Associated Cold Shock Response Protein Yfia Of Escherichia Coli" 100.00 113 100.00 100.00 2.79e-75 PDB 1VOQ "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 80.36 90 100.00 100.00 1.50e-58 PDB 1VOS "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 80.36 90 100.00 100.00 1.50e-58 PDB 1VOV "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 80.36 90 100.00 100.00 1.50e-58 PDB 1VOX "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 80.36 90 100.00 100.00 1.50e-58 PDB 1VOZ "Crystal Structure Of Five 70s Ribosomes From Escherichia Coli In Complex With Protein Y. This File Contains The 30s Subunit Of " 80.36 90 100.00 100.00 1.50e-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 6.09e-75 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 6.09e-75 DBJ BAA16481 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli str. K-12 substr. W3110]" 100.00 113 100.00 100.00 2.79e-75 DBJ BAB36883 "putative yhbH sigma 54 modulator [Escherichia coli O157:H7 str. Sakai]" 100.00 113 100.00 100.00 2.79e-75 DBJ BAG78406 "putative sigma 54 modulation protein [Escherichia coli SE11]" 100.00 113 100.00 100.00 2.79e-75 DBJ BAI26837 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli O26:H11 str. 11368]" 99.11 116 100.00 100.00 9.66e-75 DBJ BAI31922 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli O103:H2 str. 12009]" 100.00 113 100.00 100.00 2.79e-75 EMBL CAA94436 "URF1 (ORFS54) [Escherichia coli K-12]" 100.00 113 100.00 100.00 2.79e-75 EMBL CAP77041 "ribosome-associated inhibitor A [Escherichia coli LF82]" 100.00 113 100.00 100.00 2.79e-75 EMBL CAQ32967 "stationary phase translation inhibitor and ribosome stability factor [Escherichia coli BL21(DE3)]" 100.00 113 100.00 100.00 2.79e-75 EMBL CAQ88030 "cold shock protein associated with 30S ribosomal subunit [Escherichia fergusonii ATCC 35469]" 100.00 114 97.32 99.11 3.22e-73 EMBL CAQ99546 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli IAI1]" 100.00 113 100.00 100.00 2.79e-75 GB AAA24328 "12,785 MW protein (URF1) [Escherichia coli]" 100.00 113 100.00 100.00 2.79e-75 GB AAC75646 "cold shock protein associated with 30S ribosomal subunit [Escherichia coli str. K-12 substr. MG1655]" 100.00 113 100.00 100.00 2.79e-75 GB AAG57709 "putative yhbH sigma 54 modulator [Escherichia coli O157:H7 str. EDL933]" 100.00 113 100.00 100.00 2.79e-75 GB AAN44153 "putative yhbH sigma 54 modulator [Shigella flexneri 2a str. 301]" 100.00 113 100.00 100.00 2.79e-75 GB AAN81568 "Protein yfiA [Escherichia coli CFT073]" 100.00 113 100.00 100.00 2.79e-75 REF NP_289151 "translation inhibitor protein RaiA [Escherichia coli O157:H7 str. EDL933]" 100.00 113 100.00 100.00 2.79e-75 REF NP_311487 "translation inhibitor protein RaiA [Escherichia coli O157:H7 str. Sakai]" 100.00 113 100.00 100.00 2.79e-75 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 2.79e-75 REF NP_708446 "translation inhibitor protein RaiA [Shigella flexneri 2a str. 301]" 100.00 113 100.00 100.00 2.79e-75 REF NP_755000 "translation inhibitor protein RaiA [Escherichia coli CFT073]" 100.00 113 100.00 100.00 2.79e-75 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 2.79e-75 SP P0AD50 "RecName: Full=Ribosome-associated inhibitor A [Escherichia coli CFT073]" 100.00 113 100.00 100.00 2.79e-75 SP P0AD51 "RecName: Full=Ribosome-associated inhibitor A [Escherichia coli O157:H7]" 100.00 113 100.00 100.00 2.79e-75 SP P0AD52 "RecName: Full=Ribosome-associated inhibitor A [Shigella flexneri]" 100.00 113 100.00 100.00 2.79e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $pY '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_type _Vector_name $pY 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $pY 2 mM '[U-99% 15N]' 'sodium phosphate' 10 mM . NaCl 50 mM . D2O 7 % . H2O 93 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $pY 1.5 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 10 mM . NACL 50 mM . D2O 7 % . H2O 97 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1B loop_ _Task 'data collection' stop_ _Details Varian save_ save_FELIX _Saveframe_category software _Name FELIX _Version 98 loop_ _Task 'data processing' stop_ _Details MSI save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0 loop_ _Task 'data analysis' stop_ _Details 'Johnson and Blevins.' save_ save_CNS _Saveframe_category software _Name CNS _Version 1.0 loop_ _Task 'Structure Calculation' stop_ _Details 'Brunger et al.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label . save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_2D_1H-13C_CT-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _Sample_label . save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label . save_ save_3D_1H-13C-1H_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _Sample_label . save_ save_3D_15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY' _Sample_label . save_ save_3D_15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY' _Sample_label . save_ save_3D_13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY' _Sample_label . save_ save_3D_H(CCO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label . save_ save_3D_C(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label . save_ save_3D_HNHA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label . save_ save_3D_HNHB_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _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 5.7 0.1 n/a temperature 304.5 1 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 . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Protein Yfia' _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 THR HA H 3.856 0.01 1 2 . 1 THR CB C 69.580 0.2 1 3 . 1 THR HB H 4.099 0.01 1 4 . 1 THR CG2 C 21.817 0.2 1 5 . 1 THR HG2 H 1.284 0.01 1 6 . 2 MET CA C 55.626 0.2 1 7 . 2 MET HA H 4.625 0.01 1 8 . 2 MET CB C 33.869 0.2 1 9 . 2 MET HB2 H 1.999 0.01 1 10 . 2 MET HB3 H 1.999 0.01 1 11 . 2 MET CG C 31.835 0.2 1 12 . 2 MET HG2 H 2.362 0.01 1 13 . 2 MET HG3 H 2.362 0.01 1 14 . 2 MET CE C 17.744 0.2 1 15 . 2 MET HE H 2.038 0.01 1 16 . 2 MET C C 174.337 0.2 1 17 . 3 ASN N N 124.253 0.2 1 18 . 3 ASN H H 8.454 0.01 1 19 . 3 ASN CA C 52.836 0.2 1 20 . 3 ASN HA H 4.969 0.01 1 21 . 3 ASN CB C 40.461 0.2 1 22 . 3 ASN HB2 H 2.552 0.01 1 23 . 3 ASN HB3 H 2.552 0.01 1 24 . 3 ASN ND2 N 111.613 0.2 1 25 . 3 ASN HD21 H 7.200 0.01 1 26 . 3 ASN HD22 H 6.640 0.01 1 27 . 3 ASN C C 173.500 0.2 1 28 . 4 ILE N N 124.356 0.2 1 29 . 4 ILE H H 8.310 0.01 1 30 . 4 ILE CA C 59.787 0.2 1 31 . 4 ILE HA H 5.440 0.01 1 32 . 4 ILE CB C 40.754 0.2 1 33 . 4 ILE HB H 1.684 0.01 1 34 . 4 ILE CG1 C 28.169 0.2 1 35 . 4 ILE HG12 H 1.591 0.01 1 36 . 4 ILE HG13 H 1.591 0.01 1 37 . 4 ILE CD1 C 15.334 0.2 1 38 . 4 ILE HD1 H 0.877 0.01 1 39 . 4 ILE CG2 C 17.502 0.2 1 40 . 4 ILE HG2 H 0.864 0.01 1 41 . 4 ILE C C 174.817 0.2 1 42 . 5 THR N N 118.627 0.2 1 43 . 5 THR H H 8.902 0.01 1 44 . 5 THR CA C 60.385 0.2 1 45 . 5 THR HA H 4.875 0.01 1 46 . 5 THR CB C 72.460 0.2 1 47 . 5 THR HB H 4.331 0.01 1 48 . 5 THR CG2 C 21.941 0.2 1 49 . 5 THR HG2 H 1.220 0.01 1 50 . 5 THR C C 172.788 0.2 1 51 . 6 SER N N 112.502 0.2 1 52 . 6 SER H H 8.467 0.01 1 53 . 6 SER CA C 57.798 0.2 1 54 . 6 SER HA H 5.201 0.01 1 55 . 6 SER CB C 66.514 0.2 1 56 . 6 SER HB2 H 4.059 0.01 2 57 . 6 SER HB3 H 3.843 0.01 2 58 . 6 SER C C 174.770 0.2 1 59 . 7 LYS N N 123.409 0.2 1 60 . 7 LYS H H 8.989 0.01 1 61 . 7 LYS CA C 56.843 0.2 1 62 . 7 LYS HA H 4.618 0.01 1 63 . 7 LYS CB C 34.012 0.2 1 64 . 7 LYS HB2 H 1.795 0.01 1 65 . 7 LYS HB3 H 1.961 0.01 1 66 . 7 LYS CG C 25.455 0.2 1 67 . 7 LYS HG2 H 1.482 0.01 1 68 . 7 LYS HG3 H 1.482 0.01 1 69 . 7 LYS CD C 29.533 0.2 1 70 . 7 LYS HD2 H 1.722 0.01 1 71 . 7 LYS HD3 H 1.722 0.01 1 72 . 7 LYS CE C 41.084 0.2 1 73 . 7 LYS HE2 H 2.989 0.01 1 74 . 7 LYS HE3 H 2.989 0.01 1 75 . 7 LYS C C 176.690 0.2 1 76 . 8 GLN N N 116.450 0.2 1 77 . 8 GLN H H 8.507 0.01 1 78 . 8 GLN CA C 57.277 0.2 1 79 . 8 GLN HA H 4.321 0.01 1 80 . 8 GLN CB C 30.452 0.2 1 81 . 8 GLN HB2 H 2.337 0.01 2 82 . 8 GLN HB3 H 2.143 0.01 2 83 . 8 GLN CG C 35.096 0.2 1 84 . 8 GLN HG2 H 2.322 0.01 2 85 . 8 GLN HG3 H 2.477 0.01 2 86 . 8 GLN NE2 N 111.694 0.2 1 87 . 8 GLN HE21 H 7.565 0.01 1 88 . 8 GLN HE22 H 6.998 0.01 1 89 . 8 GLN C C 174.407 0.2 1 90 . 9 MET N N 114.254 0.2 1 91 . 9 MET H H 7.567 0.01 1 92 . 9 MET CA C 54.932 0.2 1 93 . 9 MET HA H 4.698 0.01 1 94 . 9 MET CB C 35.278 0.2 1 95 . 9 MET HB2 H 2.090 0.01 2 96 . 9 MET HB3 H 2.170 0.01 2 97 . 9 MET CG C 30.688 0.2 1 98 . 9 MET HG2 H 2.586 0.01 1 99 . 9 MET HG3 H 2.586 0.01 1 100 . 9 MET CE C 17.750 0.2 1 101 . 9 MET HE H 2.016 0.01 1 102 . 9 MET C C 174.188 0.2 1 103 . 10 GLU N N 121.672 0.2 1 104 . 10 GLU H H 8.461 0.01 1 105 . 10 GLU CA C 55.924 0.2 1 106 . 10 GLU HA H 4.374 0.01 1 107 . 10 GLU CB C 31.018 0.2 1 108 . 10 GLU HB2 H 1.915 0.01 1 109 . 10 GLU HB3 H 1.915 0.01 1 110 . 10 GLU CG C 36.333 0.2 1 111 . 10 GLU HG2 H 2.117 0.01 2 112 . 10 GLU HG3 H 2.263 0.01 2 113 . 10 GLU C C 175.997 0.2 1 114 . 11 ILE N N 124.500 0.2 1 115 . 11 ILE H H 8.788 0.01 1 116 . 11 ILE CA C 59.609 0.2 1 117 . 11 ILE HA H 4.097 0.01 1 118 . 11 ILE CB C 35.605 0.2 1 119 . 11 ILE HB H 2.150 0.01 1 120 . 11 ILE CG1 C 26.273 0.2 1 121 . 11 ILE HG12 H 1.574 0.01 2 122 . 11 ILE HG13 H 1.378 0.01 2 123 . 11 ILE CD1 C 11.204 0.2 1 124 . 11 ILE HD1 H 0.671 0.01 1 125 . 11 ILE CG2 C 18.095 0.2 1 126 . 11 ILE HG2 H 0.836 0.01 1 127 . 11 ILE C C 175.662 0.2 1 128 . 12 THR N N 117.830 0.2 1 129 . 12 THR H H 6.712 0.01 1 130 . 12 THR CA C 59.466 0.2 1 131 . 12 THR HA H 4.814 0.01 1 132 . 12 THR CB C 68.892 0.2 1 133 . 12 THR HB H 4.769 0.01 1 134 . 12 THR CG2 C 22.418 0.2 1 135 . 12 THR HG2 H 1.297 0.01 1 136 . 12 THR C C 173.651 0.2 1 137 . 13 PRO CA C 66.063 0.2 1 138 . 13 PRO HA H 4.246 0.01 1 139 . 13 PRO CB C 32.045 0.2 1 140 . 13 PRO HB2 H 1.998 0.01 1 141 . 13 PRO HB3 H 2.453 0.01 1 142 . 13 PRO CG C 28.309 0.2 1 143 . 13 PRO HG2 H 2.265 0.01 1 144 . 13 PRO HG3 H 2.265 0.01 1 145 . 13 PRO CD C 50.832 0.2 1 146 . 13 PRO HD2 H 3.965 0.01 1 147 . 13 PRO HD3 H 3.965 0.01 1 148 . 13 PRO C C 178.910 0.2 1 149 . 14 ALA N N 118.285 0.2 1 150 . 14 ALA H H 8.020 0.01 1 151 . 14 ALA CA C 55.539 0.2 1 152 . 14 ALA HA H 4.189 0.01 1 153 . 14 ALA CB C 18.820 0.2 1 154 . 14 ALA HB H 1.452 0.01 1 155 . 14 ALA C C 180.932 0.2 1 156 . 15 ILE N N 120.043 0.2 1 157 . 15 ILE H H 7.560 0.01 1 158 . 15 ILE CA C 65.700 0.2 1 159 . 15 ILE HA H 3.760 0.01 1 160 . 15 ILE CB C 38.783 0.2 1 161 . 15 ILE HB H 1.865 0.01 1 162 . 15 ILE CG1 C 30.858 0.2 1 163 . 15 ILE HG12 H 1.776 0.01 1 164 . 15 ILE HG13 H 1.776 0.01 1 165 . 15 ILE CD1 C 14.531 0.2 1 166 . 15 ILE HD1 H 0.910 0.01 1 167 . 15 ILE CG2 C 17.809 0.2 1 168 . 15 ILE HG2 H 0.790 0.01 1 169 . 15 ILE C C 177.682 0.2 1 170 . 16 ARG N N 118.552 0.2 1 171 . 16 ARG H H 8.028 0.01 1 172 . 16 ARG CA C 60.886 0.2 1 173 . 16 ARG HA H 3.669 0.01 1 174 . 16 ARG CB C 30.244 0.2 1 175 . 16 ARG HB2 H 1.844 0.01 1 176 . 16 ARG HB3 H 1.844 0.01 1 177 . 16 ARG CG C 28.801 0.2 1 178 . 16 ARG HG2 H 1.671 0.01 2 179 . 16 ARG HG3 H 1.462 0.01 2 180 . 16 ARG CD C 43.463 0.2 1 181 . 16 ARG HD2 H 3.293 0.01 2 182 . 16 ARG HD3 H 3.188 0.01 2 183 . 16 ARG NE N 84.489 0.2 1 184 . 16 ARG HE H 7.481 0.01 1 185 . 16 ARG C C 178.469 0.2 1 186 . 17 GLN N N 117.905 0.2 1 187 . 17 GLN H H 8.477 0.01 1 188 . 17 GLN CA C 58.461 0.2 1 189 . 17 GLN HA H 3.950 0.01 1 190 . 17 GLN CB C 28.753 0.2 1 191 . 17 GLN HB2 H 2.205 0.01 1 192 . 17 GLN HB3 H 2.096 0.01 1 193 . 17 GLN CG C 33.875 0.2 1 194 . 17 GLN HG2 H 2.424 0.01 1 195 . 17 GLN HG3 H 2.424 0.01 1 196 . 17 GLN NE2 N 114.617 0.2 1 197 . 17 GLN HE21 H 7.770 0.01 1 198 . 17 GLN HE22 H 6.814 0.01 1 199 . 17 GLN C C 177.434 0.2 1 200 . 18 HIS N N 118.907 0.2 1 201 . 18 HIS H H 7.969 0.01 1 202 . 18 HIS CA C 60.424 0.2 1 203 . 18 HIS HA H 4.249 0.01 1 204 . 18 HIS CB C 30.748 0.2 1 205 . 18 HIS HB2 H 3.223 0.01 1 206 . 18 HIS HB3 H 3.223 0.01 1 207 . 18 HIS CD2 C 118.116 0.2 1 208 . 18 HIS HD2 H 6.472 0.01 1 209 . 18 HIS CE1 C 138.809 0.2 1 210 . 18 HIS HE1 H 7.936 0.01 1 211 . 18 HIS C C 177.988 0.2 1 212 . 19 VAL N N 116.780 0.2 1 213 . 19 VAL H H 8.156 0.01 1 214 . 19 VAL CA C 67.518 0.2 1 215 . 19 VAL HA H 3.260 0.01 1 216 . 19 VAL CB C 31.833 0.2 1 217 . 19 VAL HB H 2.148 0.01 1 218 . 19 VAL CG2 C 23.824 0.2 1 219 . 19 VAL HG2 H 1.085 0.01 1 220 . 19 VAL CG1 C 22.659 0.2 1 221 . 19 VAL HG1 H 0.855 0.01 1 222 . 19 VAL C C 177.147 0.2 1 223 . 20 ALA N N 121.436 0.2 1 224 . 20 ALA H H 8.272 0.01 1 225 . 20 ALA CA C 56.056 0.2 1 226 . 20 ALA HA H 3.910 0.01 1 227 . 20 ALA CB C 18.397 0.2 1 228 . 20 ALA HB H 1.479 0.01 1 229 . 20 ALA C C 180.711 0.2 1 230 . 21 ASP N N 118.717 0.2 1 231 . 21 ASP H H 8.531 0.01 1 232 . 21 ASP CA C 57.428 0.2 1 233 . 21 ASP HA H 4.329 0.01 1 234 . 21 ASP CB C 40.891 0.2 1 235 . 21 ASP HB2 H 2.559 0.01 1 236 . 21 ASP HB3 H 2.765 0.01 1 237 . 21 ASP C C 179.102 0.2 1 238 . 22 ARG N N 117.983 0.2 1 239 . 22 ARG H H 7.738 0.01 1 240 . 22 ARG CA C 57.514 0.2 1 241 . 22 ARG HA H 4.068 0.01 1 242 . 22 ARG CB C 29.457 0.2 1 243 . 22 ARG HB2 H 1.760 0.01 1 244 . 22 ARG HB3 H 1.760 0.01 1 245 . 22 ARG CG C 26.699 0.2 1 246 . 22 ARG HG2 H 1.523 0.01 2 247 . 22 ARG HG3 H 1.439 0.01 2 248 . 22 ARG CD C 42.467 0.2 1 249 . 22 ARG HD2 H 3.001 0.01 1 250 . 22 ARG HD3 H 3.001 0.01 1 251 . 22 ARG NE N 83.883 0.2 1 252 . 22 ARG HE H 7.209 0.01 1 253 . 22 ARG C C 179.696 0.2 1 254 . 23 LEU N N 119.677 0.2 1 255 . 23 LEU H H 8.471 0.01 1 256 . 23 LEU CA C 57.594 0.2 1 257 . 23 LEU HA H 3.959 0.01 1 258 . 23 LEU CB C 41.657 0.2 1 259 . 23 LEU HB2 H 1.396 0.01 2 260 . 23 LEU HB3 H 1.767 0.01 2 261 . 23 LEU CG C 27.160 0.2 1 262 . 23 LEU HG H 1.738 0.01 1 263 . 23 LEU CD1 C 26.316 0.2 1 264 . 23 LEU HD1 H 0.718 0.01 1 265 . 23 LEU CD2 C 23.593 0.2 1 266 . 23 LEU HD2 H 0.667 0.01 1 267 . 23 LEU C C 179.214 0.2 1 268 . 24 ALA N N 120.787 0.2 1 269 . 24 ALA H H 7.786 0.01 1 270 . 24 ALA CA C 54.812 0.2 1 271 . 24 ALA HA H 4.117 0.01 1 272 . 24 ALA CB C 18.361 0.2 1 273 . 24 ALA HB H 1.508 0.01 1 274 . 24 ALA C C 179.881 0.2 1 275 . 25 LYS N N 115.677 0.2 1 276 . 25 LYS H H 7.239 0.01 1 277 . 25 LYS CA C 57.890 0.2 1 278 . 25 LYS HA H 4.142 0.01 1 279 . 25 LYS CB C 32.462 0.2 1 280 . 25 LYS HB2 H 1.876 0.01 2 281 . 25 LYS HB3 H 1.955 0.01 2 282 . 25 LYS CG C 25.364 0.2 1 283 . 25 LYS HG2 H 1.568 0.01 1 284 . 25 LYS HG3 H 1.568 0.01 1 285 . 25 LYS CD C 29.147 0.2 1 286 . 25 LYS HD2 H 1.673 0.01 1 287 . 25 LYS HD3 H 1.673 0.01 1 288 . 25 LYS CE C 42.237 0.2 1 289 . 25 LYS C C 178.147 0.2 1 290 . 26 LEU N N 118.881 0.2 1 291 . 26 LEU H H 7.621 0.01 1 292 . 26 LEU CA C 55.691 0.2 1 293 . 26 LEU HA H 4.430 0.01 1 294 . 26 LEU CB C 41.308 0.2 1 295 . 26 LEU HB2 H 1.662 0.01 2 296 . 26 LEU HB3 H 1.940 0.01 2 297 . 26 LEU CG C 27.779 0.2 1 298 . 26 LEU HG H 1.800 0.01 1 299 . 26 LEU CD1 C 26.111 0.2 1 300 . 26 LEU HD1 H 0.842 0.01 1 301 . 26 LEU CD2 C 23.786 0.2 1 302 . 26 LEU HD2 H 0.808 0.01 1 303 . 26 LEU C C 177.961 0.2 1 304 . 27 GLU N N 120.364 0.2 1 305 . 27 GLU H H 7.818 0.01 1 306 . 27 GLU CA C 58.696 0.2 1 307 . 27 GLU HA H 4.117 0.01 1 308 . 27 GLU CB C 30.003 0.2 1 309 . 27 GLU HB2 H 2.020 0.01 2 310 . 27 GLU HB3 H 2.079 0.01 2 311 . 27 GLU HG2 H 2.272 0.01 2 312 . 27 GLU HG3 H 2.372 0.01 2 313 . 27 GLU C C 177.730 0.2 1 314 . 28 LYS H H 7.942 0.01 1 315 . 28 LYS CA C 57.963 0.2 1 316 . 28 LYS HA H 4.043 0.01 1 317 . 28 LYS CB C 32.005 0.2 1 318 . 28 LYS HB2 H 1.456 0.01 2 319 . 28 LYS HB3 H 1.519 0.01 2 320 . 28 LYS CG C 24.533 0.2 1 321 . 28 LYS HG2 H 1.052 0.01 2 322 . 28 LYS HG3 H 0.892 0.01 2 323 . 28 LYS CD C 29.319 0.2 1 324 . 28 LYS HD2 H 1.413 0.01 1 325 . 28 LYS HD3 H 1.413 0.01 1 326 . 28 LYS CE C 42.208 0.2 1 327 . 28 LYS HE2 H 2.717 0.01 1 328 . 28 LYS HE3 H 2.717 0.01 1 329 . 28 LYS C C 177.300 0.2 1 330 . 29 TRP N N 118.349 0.2 1 331 . 29 TRP H H 7.699 0.01 1 332 . 29 TRP CA C 58.003 0.2 1 333 . 29 TRP HA H 4.670 0.01 1 334 . 29 TRP CB C 29.783 0.2 1 335 . 29 TRP HB2 H 3.193 0.01 1 336 . 29 TRP HB3 H 3.476 0.01 1 337 . 29 TRP CD1 C 127.294 0.2 1 338 . 29 TRP HD1 H 7.273 0.01 1 339 . 29 TRP NE1 N 129.569 0.2 1 340 . 29 TRP HE1 H 10.450 0.01 1 341 . 29 TRP CZ2 C 114.752 0.2 1 342 . 29 TRP HZ2 H 7.449 0.01 1 343 . 29 TRP CH2 C 124.655 0.2 1 344 . 29 TRP HH2 H 7.140 0.01 1 345 . 29 TRP CZ3 C 121.842 0.2 1 346 . 29 TRP HZ3 H 6.989 0.01 1 347 . 29 TRP CE3 C 120.866 0.2 1 348 . 29 TRP HE3 H 7.474 0.01 1 349 . 29 TRP C C 176.769 0.2 1 350 . 30 GLN N N 117.710 0.2 1 351 . 30 GLN H H 7.942 0.01 1 352 . 30 GLN CA C 57.950 0.2 1 353 . 30 GLN HA H 4.007 0.01 1 354 . 30 GLN CB C 28.533 0.2 1 355 . 30 GLN HB2 H 2.104 0.01 1 356 . 30 GLN HB3 H 2.104 0.01 1 357 . 30 GLN CG C 33.989 0.2 1 358 . 30 GLN HG2 H 2.716 0.01 1 359 . 30 GLN HG3 H 2.716 0.01 1 360 . 30 GLN C C 176.472 0.2 1 361 . 31 THR N N 112.470 0.2 1 362 . 31 THR H H 7.952 0.01 1 363 . 31 THR CA C 63.191 0.2 1 364 . 31 THR HA H 4.209 0.01 1 365 . 31 THR CB C 69.636 0.2 1 366 . 31 THR HB H 4.112 0.01 1 367 . 31 THR CG2 C 21.905 0.2 1 368 . 31 THR HG2 H 1.147 0.01 1 369 . 31 THR C C 174.481 0.2 1 370 . 32 HIS CA C 56.550 0.2 1 371 . 32 HIS HA H 4.639 0.01 1 372 . 32 HIS CB C 30.500 0.2 1 373 . 32 HIS HB2 H 3.181 0.01 2 374 . 32 HIS HB3 H 3.115 0.01 2 375 . 32 HIS CD2 C 119.486 0.2 1 376 . 32 HIS HD2 H 7.128 0.01 1 377 . 32 HIS CE1 C 137.782 0.2 1 378 . 32 HIS HE1 H 8.251 0.01 1 379 . 32 HIS C C 173.800 0.2 1 380 . 33 LEU N N 121.040 0.2 1 381 . 33 LEU H H 8.006 0.01 1 382 . 33 LEU CA C 54.367 0.2 1 383 . 33 LEU HA H 4.448 0.01 1 384 . 33 LEU CB C 41.708 0.2 1 385 . 33 LEU HB2 H 1.277 0.01 2 386 . 33 LEU HB3 H 1.871 0.01 2 387 . 33 LEU HG H 1.810 0.01 1 388 . 33 LEU CD1 C 26.464 0.2 1 389 . 33 LEU HD1 H 0.897 0.01 1 390 . 33 LEU CD2 C 23.615 0.2 1 391 . 33 LEU HD2 H 0.772 0.01 1 392 . 34 ILE N N 122.700 0.2 1 393 . 34 ILE H H 8.180 0.01 1 394 . 34 ILE CA C 61.378 0.2 1 395 . 34 ILE HA H 4.068 0.01 1 396 . 34 ILE CB C 39.004 0.2 1 397 . 34 ILE HB H 1.671 0.01 1 398 . 34 ILE CG1 C 27.392 0.2 1 399 . 34 ILE HG12 H 1.387 0.01 2 400 . 34 ILE HG13 H 0.968 0.01 2 401 . 34 ILE CD1 C 13.389 0.2 1 402 . 34 ILE HD1 H 0.681 0.01 1 403 . 34 ILE CG2 C 17.850 0.2 1 404 . 34 ILE HG2 H 0.847 0.01 1 405 . 34 ILE C C 175.096 0.2 1 406 . 35 ASN N N 122.026 0.2 1 407 . 35 ASN H H 8.782 0.01 1 408 . 35 ASN CA C 53.062 0.2 1 409 . 35 ASN HA H 4.794 0.01 1 410 . 35 ASN CB C 38.913 0.2 1 411 . 35 ASN HB2 H 2.803 0.01 1 412 . 35 ASN HB3 H 2.924 0.01 1 413 . 35 ASN C C 172.388 0.2 1 414 . 36 PRO CA C 64.110 0.2 1 415 . 36 PRO HA H 4.560 0.01 1 416 . 36 PRO CB C 32.443 0.2 1 417 . 36 PRO HB2 H 1.743 0.01 1 418 . 36 PRO HB3 H 1.895 0.01 1 419 . 36 PRO CG C 28.145 0.2 1 420 . 36 PRO HG2 H 1.846 0.01 2 421 . 36 PRO HG3 H 2.128 0.01 2 422 . 36 PRO CD C 50.457 0.2 1 423 . 36 PRO HD2 H 3.751 0.01 2 424 . 36 PRO HD3 H 3.553 0.01 2 425 . 36 PRO C C 175.824 0.2 1 426 . 37 HIS N N 122.188 0.2 1 427 . 37 HIS H H 8.540 0.01 1 428 . 37 HIS CA C 54.151 0.2 1 429 . 37 HIS HA H 5.570 0.01 1 430 . 37 HIS CB C 31.020 0.2 1 431 . 37 HIS HB2 H 3.326 0.01 2 432 . 37 HIS HB3 H 3.181 0.01 2 433 . 37 HIS CD2 C 119.732 0.2 1 434 . 37 HIS HD2 H 7.141 0.01 1 435 . 37 HIS CE1 C 137.210 0.2 1 436 . 37 HIS HE1 H 8.268 0.01 1 437 . 37 HIS C C 174.005 0.2 1 438 . 38 ILE N N 127.163 0.2 1 439 . 38 ILE H H 8.927 0.01 1 440 . 38 ILE CA C 59.629 0.2 1 441 . 38 ILE HA H 5.069 0.01 1 442 . 38 ILE CB C 40.426 0.2 1 443 . 38 ILE HB H 1.797 0.01 1 444 . 38 ILE CG1 C 28.799 0.2 1 445 . 38 ILE HG12 H 1.473 0.01 2 446 . 38 ILE HG13 H 1.153 0.01 2 447 . 38 ILE CD1 C 13.571 0.2 1 448 . 38 ILE HD1 H 0.753 0.01 1 449 . 38 ILE CG2 C 17.499 0.2 1 450 . 38 ILE HG2 H 0.813 0.01 1 451 . 38 ILE C C 174.136 0.2 1 452 . 39 ILE N N 127.777 0.2 1 453 . 39 ILE H H 9.183 0.01 1 454 . 39 ILE CA C 60.383 0.2 1 455 . 39 ILE HA H 4.929 0.01 1 456 . 39 ILE CB C 41.018 0.2 1 457 . 39 ILE HB H 1.696 0.01 1 458 . 39 ILE CG1 C 28.031 0.2 1 459 . 39 ILE HG12 H 0.833 0.01 2 460 . 39 ILE HG13 H 1.179 0.01 2 461 . 39 ILE CD1 C 14.277 0.2 1 462 . 39 ILE HD1 H 0.667 0.01 1 463 . 39 ILE CG2 C 18.381 0.2 1 464 . 39 ILE HG2 H 0.858 0.01 1 465 . 39 ILE C C 176.050 0.2 1 466 . 40 LEU N N 128.877 0.2 1 467 . 40 LEU H H 8.789 0.01 1 468 . 40 LEU CA C 53.457 0.2 1 469 . 40 LEU HA H 5.477 0.01 1 470 . 40 LEU CB C 45.407 0.2 1 471 . 40 LEU HB2 H 1.535 0.01 1 472 . 40 LEU HB3 H 1.656 0.01 1 473 . 40 LEU CG C 27.804 0.2 1 474 . 40 LEU HG H 1.656 0.01 1 475 . 40 LEU CD1 C 25.682 0.2 1 476 . 40 LEU HD1 H 0.827 0.01 1 477 . 40 LEU CD2 C 24.970 0.2 1 478 . 40 LEU HD2 H 0.822 0.01 1 479 . 40 LEU C C 176.081 0.2 1 480 . 41 SER N N 120.370 0.2 1 481 . 41 SER H H 9.607 0.01 1 482 . 41 SER CA C 57.540 0.2 1 483 . 41 SER HA H 5.131 0.01 1 484 . 41 SER CB C 65.888 0.2 1 485 . 41 SER HB2 H 3.839 0.01 2 486 . 41 SER HB3 H 3.749 0.01 2 487 . 41 SER C C 172.159 0.2 1 488 . 42 LYS N N 123.511 0.2 1 489 . 42 LYS H H 8.305 0.01 1 490 . 42 LYS CA C 55.707 0.2 1 491 . 42 LYS HA H 4.435 0.01 1 492 . 42 LYS CB C 34.915 0.2 1 493 . 42 LYS HB2 H 1.451 0.01 2 494 . 42 LYS HB3 H 1.709 0.01 2 495 . 42 LYS CG C 25.088 0.2 1 496 . 42 LYS HG2 H 1.007 0.01 2 497 . 42 LYS HG3 H 0.757 0.01 2 498 . 42 LYS CD C 28.914 0.2 1 499 . 42 LYS HD2 H 1.443 0.01 2 500 . 42 LYS HD3 H 1.200 0.01 2 501 . 42 LYS CE C 42.547 0.2 1 502 . 42 LYS HE2 H 2.762 0.01 1 503 . 42 LYS HE3 H 2.762 0.01 1 504 . 42 LYS C C 174.826 0.2 1 505 . 43 GLU N N 127.385 0.2 1 506 . 43 GLU H H 8.485 0.01 1 507 . 43 GLU CA C 54.248 0.2 1 508 . 43 GLU HA H 4.767 0.01 1 509 . 43 GLU CB C 30.260 0.2 1 510 . 43 GLU HB2 H 1.733 0.01 2 511 . 43 GLU HB3 H 2.187 0.01 2 512 . 43 GLU CG C 35.939 0.2 1 513 . 43 GLU HG2 H 2.089 0.01 1 514 . 43 GLU HG3 H 2.089 0.01 1 515 . 43 GLU C C 175.250 0.2 1 516 . 44 PRO CA C 66.541 0.2 1 517 . 44 PRO HA H 4.142 0.01 1 518 . 44 PRO CB C 31.924 0.2 1 519 . 44 PRO HB2 H 1.805 0.01 1 520 . 44 PRO HB3 H 2.341 0.01 1 521 . 44 PRO CG C 28.461 0.2 1 522 . 44 PRO HG2 H 1.951 0.01 2 523 . 44 PRO HG3 H 2.158 0.01 2 524 . 44 PRO CD C 50.724 0.2 1 525 . 44 PRO HD2 H 3.770 0.01 1 526 . 44 PRO HD3 H 3.770 0.01 1 527 . 44 PRO C C 178.089 0.2 1 528 . 45 GLN N N 110.882 0.2 1 529 . 45 GLN H H 8.054 0.01 1 530 . 45 GLN CA C 56.200 0.2 1 531 . 45 GLN HA H 4.330 0.01 1 532 . 45 GLN CB C 28.610 0.2 1 533 . 45 GLN HB2 H 1.927 0.01 2 534 . 45 GLN HB3 H 2.126 0.01 2 535 . 45 GLN CG C 34.263 0.2 1 536 . 45 GLN HG2 H 2.290 0.01 1 537 . 45 GLN HG3 H 2.290 0.01 1 538 . 45 GLN NE2 N 112.436 0.2 1 539 . 45 GLN HE21 H 7.490 0.01 1 540 . 45 GLN HE22 H 6.885 0.01 1 541 . 45 GLN C C 175.587 0.2 1 542 . 46 GLY N N 107.621 0.2 1 543 . 46 GLY H H 7.433 0.01 1 544 . 46 GLY CA C 45.794 0.2 1 545 . 46 GLY HA2 H 3.751 0.01 2 546 . 46 GLY HA3 H 4.191 0.01 2 547 . 46 GLY C C 171.343 0.2 1 548 . 47 PHE N N 118.332 0.2 1 549 . 47 PHE H H 8.607 0.01 1 550 . 47 PHE CA C 58.388 0.2 1 551 . 47 PHE HA H 5.050 0.01 1 552 . 47 PHE CB C 42.395 0.2 1 553 . 47 PHE HB2 H 2.849 0.01 2 554 . 47 PHE HB3 H 2.829 0.01 2 555 . 47 PHE CD1 C 131.979 0.2 1 556 . 47 PHE HD1 H 7.205 0.01 1 557 . 47 PHE CE1 C 131.952 0.2 1 558 . 47 PHE HE1 H 7.504 0.01 1 559 . 47 PHE CZ C 130.135 0.2 1 560 . 47 PHE HZ H 7.404 0.01 1 561 . 47 PHE CE2 C 131.952 0.2 1 562 . 47 PHE HE2 H 7.504 0.01 1 563 . 47 PHE CD2 C 131.979 0.2 1 564 . 47 PHE HD2 H 7.205 0.01 1 565 . 47 PHE C C 175.502 0.2 1 566 . 48 VAL N N 121.015 0.2 1 567 . 48 VAL H H 8.858 0.01 1 568 . 48 VAL CA C 61.510 0.2 1 569 . 48 VAL HA H 4.780 0.01 1 570 . 48 VAL CB C 34.969 0.2 1 571 . 48 VAL HB H 1.923 0.01 1 572 . 48 VAL CG2 C 21.552 0.2 1 573 . 48 VAL HG2 H 0.753 0.01 1 574 . 48 VAL CG1 C 22.102 0.2 1 575 . 48 VAL HG1 H 0.876 0.01 1 576 . 48 VAL C C 174.147 0.2 1 577 . 49 ALA N N 130.862 0.2 1 578 . 49 ALA H H 9.436 0.01 1 579 . 49 ALA CA C 49.964 0.2 1 580 . 49 ALA HA H 5.400 0.01 1 581 . 49 ALA CB C 21.846 0.2 1 582 . 49 ALA HB H 1.089 0.01 1 583 . 49 ALA C C 174.216 0.2 1 584 . 50 ASP N N 123.709 0.2 1 585 . 50 ASP H H 9.118 0.01 1 586 . 50 ASP CA C 53.840 0.2 1 587 . 50 ASP HA H 5.554 0.01 1 588 . 50 ASP CB C 45.975 0.2 1 589 . 50 ASP HB2 H 2.487 0.01 1 590 . 50 ASP HB3 H 2.726 0.01 1 591 . 50 ASP C C 175.266 0.2 1 592 . 51 ALA N N 119.812 0.2 1 593 . 51 ALA H H 8.746 0.01 1 594 . 51 ALA CA C 51.583 0.2 1 595 . 51 ALA HA H 5.518 0.01 1 596 . 51 ALA CB C 25.273 0.2 1 597 . 51 ALA HB H 1.324 0.01 1 598 . 51 ALA C C 176.374 0.2 1 599 . 52 THR N N 115.269 0.2 1 600 . 52 THR H H 8.433 0.01 1 601 . 52 THR CA C 61.909 0.2 1 602 . 52 THR HA H 5.174 0.01 1 603 . 52 THR CB C 71.413 0.2 1 604 . 52 THR HB H 3.990 0.01 1 605 . 52 THR CG2 C 21.831 0.2 1 606 . 52 THR HG2 H 1.145 0.01 1 607 . 52 THR C C 174.586 0.2 1 608 . 53 ILE N N 124.467 0.2 1 609 . 53 ILE H H 9.288 0.01 1 610 . 53 ILE CA C 60.543 0.2 1 611 . 53 ILE HA H 4.457 0.01 1 612 . 53 ILE CB C 42.057 0.2 1 613 . 53 ILE HB H 1.799 0.01 1 614 . 53 ILE CG1 C 27.297 0.2 1 615 . 53 ILE HG12 H 1.513 0.01 2 616 . 53 ILE HG13 H 0.989 0.01 2 617 . 53 ILE CD1 C 14.934 0.2 1 618 . 53 ILE HD1 H 0.762 0.01 1 619 . 53 ILE CG2 C 18.706 0.2 1 620 . 53 ILE HG2 H 0.907 0.01 1 621 . 53 ILE C C 174.162 0.2 1 622 . 54 ASN N N 126.219 0.2 1 623 . 54 ASN H H 8.712 0.01 1 624 . 54 ASN CA C 54.304 0.2 1 625 . 54 ASN HA H 4.933 0.01 1 626 . 54 ASN CB C 39.654 0.2 1 627 . 54 ASN HB2 H 2.768 0.01 1 628 . 54 ASN HB3 H 2.768 0.01 1 629 . 54 ASN ND2 N 111.537 0.2 1 630 . 54 ASN HD21 H 7.408 0.01 1 631 . 54 ASN HD22 H 6.805 0.01 1 632 . 54 ASN C C 173.834 0.2 1 633 . 55 THR N N 114.324 0.2 1 634 . 55 THR H H 7.838 0.01 1 635 . 55 THR CA C 60.232 0.2 1 636 . 55 THR HA H 5.279 0.01 1 637 . 55 THR CB C 70.421 0.2 1 638 . 55 THR HB H 4.502 0.01 1 639 . 55 THR CG2 C 21.889 0.2 1 640 . 55 THR HG2 H 1.219 0.01 1 641 . 55 THR C C 174.405 0.2 1 642 . 56 PRO CA C 65.005 0.2 1 643 . 56 PRO HA H 4.434 0.01 1 644 . 56 PRO CB C 32.366 0.2 1 645 . 56 PRO HB2 H 1.812 0.01 1 646 . 56 PRO HB3 H 2.477 0.01 1 647 . 56 PRO CG C 28.316 0.2 1 648 . 56 PRO HG2 H 1.957 0.01 2 649 . 56 PRO HG3 H 2.051 0.01 2 650 . 56 PRO CD C 51.328 0.2 1 651 . 56 PRO HD2 H 3.690 0.01 1 652 . 56 PRO HD3 H 4.051 0.01 1 653 . 56 PRO C C 176.564 0.2 1 654 . 57 ASN N N 112.251 0.2 1 655 . 57 ASN H H 7.865 0.01 1 656 . 57 ASN CA C 52.780 0.2 1 657 . 57 ASN HA H 4.981 0.01 1 658 . 57 ASN CB C 40.509 0.2 1 659 . 57 ASN HB2 H 2.431 0.01 1 660 . 57 ASN HB3 H 2.998 0.01 1 661 . 57 ASN ND2 N 112.539 0.2 1 662 . 57 ASN HD21 H 7.616 0.01 1 663 . 57 ASN HD22 H 6.980 0.01 1 664 . 57 ASN C C 174.031 0.2 1 665 . 58 GLY N N 108.351 0.2 1 666 . 58 GLY H H 7.461 0.01 1 667 . 58 GLY CA C 44.690 0.2 1 668 . 58 GLY HA2 H 3.904 0.01 2 669 . 58 GLY HA3 H 4.502 0.01 2 670 . 58 GLY C C 173.403 0.2 1 671 . 59 VAL N N 121.467 0.2 1 672 . 59 VAL H H 8.452 0.01 1 673 . 59 VAL CA C 62.636 0.2 1 674 . 59 VAL HA H 4.593 0.01 1 675 . 59 VAL CB C 33.573 0.2 1 676 . 59 VAL HB H 1.958 0.01 1 677 . 59 VAL CG2 C 21.957 0.2 1 678 . 59 VAL HG2 H 0.972 0.01 1 679 . 59 VAL CG1 C 21.595 0.2 1 680 . 59 VAL HG1 H 0.855 0.01 1 681 . 59 VAL C C 175.638 0.2 1 682 . 60 LEU N N 128.827 0.2 1 683 . 60 LEU H H 9.150 0.01 1 684 . 60 LEU CA C 54.030 0.2 1 685 . 60 LEU HA H 4.715 0.01 1 686 . 60 LEU CB C 44.293 0.2 1 687 . 60 LEU HB2 H 1.604 0.01 2 688 . 60 LEU HB3 H 1.399 0.01 2 689 . 60 LEU CG C 27.201 0.2 1 690 . 60 LEU HG H 1.622 0.01 1 691 . 60 LEU CD1 C 26.096 0.2 1 692 . 60 LEU HD1 H 0.752 0.01 1 693 . 60 LEU CD2 C 24.321 0.2 1 694 . 60 LEU HD2 H 0.757 0.01 1 695 . 60 LEU C C 175.280 0.2 1 696 . 61 VAL N N 120.806 0.2 1 697 . 61 VAL H H 8.263 0.01 1 698 . 61 VAL CA C 60.359 0.2 1 699 . 61 VAL HA H 5.098 0.01 1 700 . 61 VAL CB C 35.187 0.2 1 701 . 61 VAL HB H 1.990 0.01 1 702 . 61 VAL CG2 C 20.943 0.2 1 703 . 61 VAL HG2 H 0.921 0.01 1 704 . 61 VAL CG1 C 21.600 0.2 1 705 . 61 VAL HG1 H 0.921 0.01 1 706 . 61 VAL C C 175.630 0.2 1 707 . 62 ALA N N 125.287 0.2 1 708 . 62 ALA H H 8.413 0.01 1 709 . 62 ALA CA C 51.609 0.2 1 710 . 62 ALA HA H 4.738 0.01 1 711 . 62 ALA CB C 24.150 0.2 1 712 . 62 ALA HB H 1.296 0.01 1 713 . 62 ALA C C 174.719 0.2 1 714 . 63 SER N N 113.283 0.2 1 715 . 63 SER H H 7.986 0.01 1 716 . 63 SER CA C 57.408 0.2 1 717 . 63 SER HA H 5.656 0.01 1 718 . 63 SER CB C 66.357 0.2 1 719 . 63 SER HB2 H 3.646 0.01 1 720 . 63 SER HB3 H 3.646 0.01 1 721 . 63 SER C C 173.749 0.2 1 722 . 64 GLY N N 112.751 0.2 1 723 . 64 GLY H H 9.431 0.01 1 724 . 64 GLY CA C 44.528 0.2 1 725 . 64 GLY HA2 H 3.832 0.01 1 726 . 64 GLY HA3 H 4.703 0.01 1 727 . 64 GLY C C 171.615 0.2 1 728 . 65 LYS N N 121.847 0.2 1 729 . 65 LYS H H 8.458 0.01 1 730 . 65 LYS CA C 55.454 0.2 1 731 . 65 LYS HA H 5.576 0.01 1 732 . 65 LYS CB C 36.288 0.2 1 733 . 65 LYS HB2 H 1.788 0.01 1 734 . 65 LYS HB3 H 1.788 0.01 1 735 . 65 LYS CG C 25.018 0.2 1 736 . 65 LYS HG2 H 1.324 0.01 1 737 . 65 LYS HG3 H 1.324 0.01 1 738 . 65 LYS CD C 29.932 0.2 1 739 . 65 LYS HD2 H 1.573 0.01 1 740 . 65 LYS HD3 H 1.573 0.01 1 741 . 65 LYS CE C 42.418 0.2 1 742 . 65 LYS HE2 H 2.828 0.01 1 743 . 65 LYS HE3 H 2.828 0.01 1 744 . 65 LYS C C 175.299 0.2 1 745 . 66 HIS N N 122.627 0.2 1 746 . 66 HIS H H 8.607 0.01 1 747 . 66 HIS CA C 59.657 0.2 1 748 . 66 HIS HA H 4.374 0.01 1 749 . 66 HIS CB C 33.191 0.2 1 750 . 66 HIS HB2 H 3.212 0.01 1 751 . 66 HIS HB3 H 3.073 0.01 1 752 . 66 HIS CD2 C 118.854 0.2 1 753 . 66 HIS HD2 H 7.317 0.01 1 754 . 66 HIS CE1 C 137.570 0.2 1 755 . 66 HIS HE1 H 7.858 0.01 1 756 . 66 HIS C C 173.667 0.2 1 757 . 67 GLU N N 124.877 0.2 1 758 . 67 GLU H H 7.966 0.01 1 759 . 67 GLU CA C 60.240 0.2 1 760 . 67 GLU HA H 4.305 0.01 1 761 . 67 GLU CB C 30.039 0.2 1 762 . 67 GLU HB2 H 2.028 0.01 1 763 . 67 GLU HB3 H 2.028 0.01 1 764 . 67 GLU CG C 36.650 0.2 1 765 . 67 GLU HG2 H 2.324 0.01 1 766 . 67 GLU HG3 H 2.324 0.01 1 767 . 67 GLU C C 176.244 0.2 1 768 . 68 ASP N N 124.722 0.2 1 769 . 68 ASP H H 11.740 0.01 1 770 . 68 ASP CA C 53.464 0.2 1 771 . 68 ASP HA H 5.079 0.01 1 772 . 68 ASP CB C 43.963 0.2 1 773 . 68 ASP HB2 H 2.866 0.01 1 774 . 68 ASP HB3 H 3.146 0.01 1 775 . 68 ASP C C 176.246 0.2 1 776 . 69 MET N N 127.581 0.2 1 777 . 69 MET H H 8.353 0.01 1 778 . 69 MET CA C 60.305 0.2 1 779 . 69 MET HA H 3.140 0.01 1 780 . 69 MET CB C 32.629 0.2 1 781 . 69 MET HB2 H 0.303 0.01 1 782 . 69 MET HB3 H 1.068 0.01 1 783 . 69 MET CG C 30.596 0.2 1 784 . 69 MET HG2 H 1.508 0.01 2 785 . 69 MET HG3 H 1.624 0.01 2 786 . 69 MET CE C 17.179 0.2 1 787 . 69 MET HE H 1.448 0.01 1 788 . 69 MET C C 177.330 0.2 1 789 . 70 TYR N N 116.771 0.2 1 790 . 70 TYR H H 8.110 0.01 1 791 . 70 TYR CA C 61.880 0.2 1 792 . 70 TYR HA H 3.820 0.01 1 793 . 70 TYR CB C 36.250 0.2 1 794 . 70 TYR HB2 H 2.929 0.01 1 795 . 70 TYR HB3 H 2.604 0.01 1 796 . 70 TYR CD1 C 131.867 0.2 1 797 . 70 TYR HD1 H 6.598 0.01 1 798 . 70 TYR CE1 C 117.984 0.2 1 799 . 70 TYR HE1 H 6.426 0.01 1 800 . 70 TYR CE2 C 117.984 0.2 1 801 . 70 TYR HE2 H 6.426 0.01 1 802 . 70 TYR CD2 C 131.867 0.2 1 803 . 70 TYR HD2 H 6.598 0.01 1 804 . 70 TYR C C 178.650 0.2 1 805 . 71 THR N N 119.213 0.2 1 806 . 71 THR H H 8.126 0.01 1 807 . 71 THR CA C 67.329 0.2 1 808 . 71 THR HA H 3.792 0.01 1 809 . 71 THR CB C 68.072 0.2 1 810 . 71 THR HB H 3.867 0.01 1 811 . 71 THR CG2 C 20.914 0.2 1 812 . 71 THR HG2 H 0.518 0.01 1 813 . 71 THR C C 176.019 0.2 1 814 . 72 ALA N N 125.534 0.2 1 815 . 72 ALA H H 8.263 0.01 1 816 . 72 ALA CA C 56.659 0.2 1 817 . 72 ALA HA H 3.712 0.01 1 818 . 72 ALA CB C 17.664 0.2 1 819 . 72 ALA HB H 1.468 0.01 1 820 . 72 ALA C C 179.373 0.2 1 821 . 73 ILE N N 116.165 0.2 1 822 . 73 ILE H H 7.625 0.01 1 823 . 73 ILE CA C 65.502 0.2 1 824 . 73 ILE HA H 3.382 0.01 1 825 . 73 ILE CB C 38.315 0.2 1 826 . 73 ILE HB H 1.993 0.01 1 827 . 73 ILE CG1 C 29.990 0.2 1 828 . 73 ILE HG12 H 0.707 0.01 2 829 . 73 ILE HG13 H 1.828 0.01 2 830 . 73 ILE CD1 C 13.920 0.2 1 831 . 73 ILE HD1 H 0.710 0.01 1 832 . 73 ILE CG2 C 18.263 0.2 1 833 . 73 ILE HG2 H 0.885 0.01 1 834 . 73 ILE C C 176.990 0.2 1 835 . 74 ASN N N 120.539 0.2 1 836 . 74 ASN H H 8.471 0.01 1 837 . 74 ASN CA C 56.718 0.2 1 838 . 74 ASN HA H 4.269 0.01 1 839 . 74 ASN CB C 37.969 0.2 1 840 . 74 ASN HB2 H 2.894 0.01 2 841 . 74 ASN HB3 H 2.992 0.01 2 842 . 74 ASN C C 178.236 0.2 1 843 . 75 GLU N N 120.457 0.2 1 844 . 75 GLU H H 8.680 0.01 1 845 . 75 GLU CA C 59.464 0.2 1 846 . 75 GLU HA H 4.156 0.01 1 847 . 75 GLU CB C 29.776 0.2 1 848 . 75 GLU HB2 H 2.214 0.01 1 849 . 75 GLU HB3 H 2.214 0.01 1 850 . 75 GLU CG C 36.877 0.2 1 851 . 75 GLU HG2 H 2.440 0.01 1 852 . 75 GLU HG3 H 2.440 0.01 1 853 . 75 GLU C C 178.934 0.2 1 854 . 76 LEU N N 121.030 0.2 1 855 . 76 LEU H H 7.879 0.01 1 856 . 76 LEU CA C 58.880 0.2 1 857 . 76 LEU HA H 3.854 0.01 1 858 . 76 LEU CB C 41.055 0.2 1 859 . 76 LEU HB2 H 1.616 0.01 1 860 . 76 LEU HB3 H 2.365 0.01 1 861 . 76 LEU CG C 27.711 0.2 1 862 . 76 LEU HG H 1.309 0.01 1 863 . 76 LEU CD1 C 24.031 0.2 1 864 . 76 LEU HD1 H 0.865 0.01 1 865 . 76 LEU CD2 C 26.012 0.2 1 866 . 76 LEU HD2 H 0.744 0.01 1 867 . 76 LEU C C 177.895 0.2 1 868 . 77 ILE N N 118.047 0.2 1 869 . 77 ILE H H 8.198 0.01 1 870 . 77 ILE CA C 64.440 0.2 1 871 . 77 ILE HA H 3.527 0.01 1 872 . 77 ILE CB C 36.169 0.2 1 873 . 77 ILE HB H 2.065 0.01 1 874 . 77 ILE CG1 C 29.026 0.2 1 875 . 77 ILE HG12 H 1.462 0.01 1 876 . 77 ILE HG13 H 1.462 0.01 1 877 . 77 ILE CD1 C 11.470 0.2 1 878 . 77 ILE HD1 H 0.647 0.01 1 879 . 77 ILE CG2 C 18.389 0.2 1 880 . 77 ILE HG2 H 0.899 0.01 1 881 . 77 ILE C C 177.724 0.2 1 882 . 78 ASN N N 119.344 0.2 1 883 . 78 ASN H H 8.363 0.01 1 884 . 78 ASN CA C 56.590 0.2 1 885 . 78 ASN HA H 4.504 0.01 1 886 . 78 ASN CB C 38.383 0.2 1 887 . 78 ASN HB2 H 2.861 0.01 2 888 . 78 ASN HB3 H 3.033 0.01 2 889 . 78 ASN ND2 N 111.390 0.2 1 890 . 78 ASN HD21 H 7.585 0.01 1 891 . 78 ASN HD22 H 6.824 0.01 1 892 . 78 ASN C C 178.633 0.2 1 893 . 79 LYS N N 120.431 0.2 1 894 . 79 LYS H H 8.133 0.01 1 895 . 79 LYS CA C 60.339 0.2 1 896 . 79 LYS HA H 4.047 0.01 1 897 . 79 LYS CB C 33.191 0.2 1 898 . 79 LYS HB2 H 2.094 0.01 1 899 . 79 LYS HB3 H 1.938 0.01 1 900 . 79 LYS CG C 26.611 0.2 1 901 . 79 LYS HG2 H 1.833 0.01 2 902 . 79 LYS HG3 H 1.569 0.01 2 903 . 79 LYS CD C 30.104 0.2 1 904 . 79 LYS CE C 42.958 0.2 1 905 . 79 LYS HE2 H 3.154 0.01 1 906 . 79 LYS HE3 H 3.154 0.01 1 907 . 79 LYS C C 179.984 0.2 1 908 . 80 LEU N N 120.738 0.2 1 909 . 80 LEU H H 8.343 0.01 1 910 . 80 LEU CA C 58.359 0.2 1 911 . 80 LEU HA H 3.884 0.01 1 912 . 80 LEU CB C 42.394 0.2 1 913 . 80 LEU HB2 H 2.025 0.01 1 914 . 80 LEU HB3 H 1.189 0.01 1 915 . 80 LEU CG C 26.167 0.2 1 916 . 80 LEU HG H 1.760 0.01 1 917 . 80 LEU CD1 C 25.682 0.2 1 918 . 80 LEU HD1 H 0.632 0.01 1 919 . 80 LEU CD2 C 23.829 0.2 1 920 . 80 LEU HD2 H 0.621 0.01 1 921 . 80 LEU C C 178.452 0.2 1 922 . 81 GLU N N 119.485 0.2 1 923 . 81 GLU H H 8.633 0.01 1 924 . 81 GLU CA C 60.641 0.2 1 925 . 81 GLU HA H 3.584 0.01 1 926 . 81 GLU CB C 29.852 0.2 1 927 . 81 GLU HB2 H 2.225 0.01 2 928 . 81 GLU HB3 H 2.119 0.01 2 929 . 81 GLU CG C 36.951 0.2 1 930 . 81 GLU HG2 H 2.148 0.01 2 931 . 81 GLU HG3 H 2.323 0.01 2 932 . 81 GLU C C 178.426 0.2 1 933 . 82 ARG N N 117.614 0.2 1 934 . 82 ARG H H 7.725 0.01 1 935 . 82 ARG CA C 59.645 0.2 1 936 . 82 ARG HA H 4.070 0.01 1 937 . 82 ARG CB C 30.537 0.2 1 938 . 82 ARG HB2 H 1.992 0.01 1 939 . 82 ARG HB3 H 1.992 0.01 1 940 . 82 ARG CG C 28.013 0.2 1 941 . 82 ARG HG2 H 1.892 0.01 2 942 . 82 ARG HG3 H 1.727 0.01 2 943 . 82 ARG CD C 44.023 0.2 1 944 . 82 ARG HD2 H 3.270 0.01 1 945 . 82 ARG HD3 H 3.270 0.01 1 946 . 82 ARG C C 179.688 0.2 1 947 . 83 GLN N N 118.399 0.2 1 948 . 83 GLN H H 7.909 0.01 1 949 . 83 GLN CA C 59.099 0.2 1 950 . 83 GLN HA H 4.073 0.01 1 951 . 83 GLN CB C 29.800 0.2 1 952 . 83 GLN HB2 H 2.140 0.01 1 953 . 83 GLN HB3 H 2.140 0.01 1 954 . 83 GLN CG C 34.818 0.2 1 955 . 83 GLN HG2 H 2.435 0.01 2 956 . 83 GLN HG3 H 2.582 0.01 2 957 . 83 GLN NE2 N 109.047 0.2 1 958 . 83 GLN HE21 H 7.045 0.01 1 959 . 83 GLN HE22 H 7.045 0.01 1 960 . 83 GLN C C 178.954 0.2 1 961 . 84 LEU N N 121.230 0.2 1 962 . 84 LEU H H 8.425 0.01 1 963 . 84 LEU CA C 58.069 0.2 1 964 . 84 LEU HA H 3.810 0.01 1 965 . 84 LEU CB C 41.043 0.2 1 966 . 84 LEU HB2 H 1.380 0.01 1 967 . 84 LEU HB3 H 1.380 0.01 1 968 . 84 LEU CG C 27.063 0.2 1 969 . 84 LEU HG H 1.522 0.01 1 970 . 84 LEU CD1 C 25.724 0.2 1 971 . 84 LEU HD1 H 0.664 0.01 1 972 . 84 LEU CD2 C 24.483 0.2 1 973 . 84 LEU HD2 H 0.722 0.01 1 974 . 84 LEU C C 178.918 0.2 1 975 . 85 ASN N N 117.367 0.2 1 976 . 85 ASN H H 7.966 0.01 1 977 . 85 ASN CA C 56.125 0.2 1 978 . 85 ASN HA H 4.408 0.01 1 979 . 85 ASN CB C 39.004 0.2 1 980 . 85 ASN HB2 H 2.784 0.01 1 981 . 85 ASN HB3 H 2.784 0.01 1 982 . 85 ASN ND2 N 112.422 0.2 1 983 . 85 ASN HD21 H 7.490 0.01 1 984 . 85 ASN HD22 H 6.962 0.01 1 985 . 85 ASN C C 177.524 0.2 1 986 . 86 LYS N N 119.168 0.2 1 987 . 86 LYS H H 7.570 0.01 1 988 . 86 LYS CA C 58.761 0.2 1 989 . 86 LYS HA H 4.153 0.01 1 990 . 86 LYS CB C 32.780 0.2 1 991 . 86 LYS HB2 H 1.946 0.01 1 992 . 86 LYS HB3 H 1.946 0.01 1 993 . 86 LYS CG C 25.383 0.2 1 994 . 86 LYS HG2 H 1.610 0.01 2 995 . 86 LYS HG3 H 1.475 0.01 2 996 . 86 LYS CD C 29.701 0.2 1 997 . 86 LYS HD2 H 1.719 0.01 1 998 . 86 LYS HD3 H 1.719 0.01 1 999 . 86 LYS CE C 42.393 0.2 1 1000 . 86 LYS HE2 H 3.004 0.01 1 1001 . 86 LYS HE3 H 3.004 0.01 1 1002 . 86 LYS C C 178.659 0.2 1 1003 . 87 LEU N N 119.596 0.2 1 1004 . 87 LEU H H 7.816 0.01 1 1005 . 87 LEU CA C 56.939 0.2 1 1006 . 87 LEU HA H 4.149 0.01 1 1007 . 87 LEU CB C 42.529 0.2 1 1008 . 87 LEU HB2 H 1.584 0.01 2 1009 . 87 LEU HB3 H 1.809 0.01 2 1010 . 87 LEU CG C 26.810 0.2 1 1011 . 87 LEU HG H 1.782 0.01 1 1012 . 87 LEU CD1 C 25.585 0.2 1 1013 . 87 LEU HD1 H 0.851 0.01 1 1014 . 87 LEU CD2 C 23.675 0.2 1 1015 . 87 LEU HD2 H 0.852 0.01 1 1016 . 87 LEU C C 178.443 0.2 1 1017 . 88 GLN N N 117.647 0.2 1 1018 . 88 GLN H H 7.854 0.01 1 1019 . 88 GLN CA C 56.958 0.2 1 1020 . 88 GLN HA H 4.200 0.01 1 1021 . 88 GLN CB C 29.466 0.2 1 1022 . 88 GLN HB2 H 2.080 0.01 1 1023 . 88 GLN HB3 H 2.080 0.01 1 1024 . 88 GLN CG C 34.187 0.2 1 1025 . 88 GLN HG2 H 2.367 0.01 1 1026 . 88 GLN HG3 H 2.367 0.01 1 1027 . 88 GLN NE2 N 111.419 0.2 1 1028 . 88 GLN HE21 H 7.367 0.01 1 1029 . 88 GLN HE22 H 6.822 0.01 1 1030 . 88 GLN C C 176.466 0.2 1 1031 . 89 HIS N N 117.764 0.2 1 1032 . 89 HIS H H 8.025 0.01 1 1033 . 89 HIS CA C 56.211 0.2 1 1034 . 89 HIS HA H 4.664 0.01 1 1035 . 89 HIS CB C 29.250 0.2 1 1036 . 89 HIS HB2 H 3.178 0.01 2 1037 . 89 HIS HB3 H 3.310 0.01 2 1038 . 89 HIS CD2 C 120.440 0.2 1 1039 . 89 HIS HD2 H 7.312 0.01 1 1040 . 89 HIS CE1 C 136.922 0.2 1 1041 . 89 HIS HE1 H 8.433 0.01 1 1042 . 89 HIS C C 175.051 0.2 1 1043 . 90 LYS N N 122.073 0.2 1 1044 . 90 LYS H H 8.141 0.01 1 1045 . 90 LYS CA C 57.476 0.2 1 1046 . 90 LYS HA H 4.283 0.01 1 1047 . 90 LYS CB C 33.147 0.2 1 1048 . 90 LYS HB2 H 1.858 0.01 1 1049 . 90 LYS HB3 H 1.858 0.01 1 1050 . 90 LYS CG C 25.108 0.2 1 1051 . 90 LYS HG2 H 1.464 0.01 1 1052 . 90 LYS HG3 H 1.464 0.01 1 1053 . 90 LYS CD C 29.629 0.2 1 1054 . 90 LYS HD2 H 1.697 0.01 1 1055 . 90 LYS HD3 H 1.697 0.01 1 1056 . 90 LYS CE C 42.429 0.2 1 1057 . 90 LYS HE2 H 3.002 0.01 1 1058 . 90 LYS HE3 H 3.002 0.01 1 1059 . 90 LYS C C 177.404 0.2 1 1060 . 91 GLY N N 109.960 0.2 1 1061 . 91 GLY H H 8.446 0.01 1 1062 . 91 GLY CA C 45.805 0.2 1 1063 . 91 GLY HA2 H 3.969 0.01 1 1064 . 91 GLY HA3 H 3.969 0.01 1 1065 . 91 GLY C C 174.488 0.2 1 1066 . 92 GLU N N 120.709 0.2 1 1067 . 92 GLU H H 8.113 0.01 1 1068 . 92 GLU CA C 56.784 0.2 1 1069 . 92 GLU HA H 4.270 0.01 1 1070 . 92 GLU CB C 30.782 0.2 1 1071 . 92 GLU HB2 H 1.983 0.01 2 1072 . 92 GLU HB3 H 2.080 0.01 2 1073 . 92 GLU CG C 36.484 0.2 1 1074 . 92 GLU HG2 H 2.299 0.01 1 1075 . 92 GLU HG3 H 2.299 0.01 1 1076 . 92 GLU C C 176.668 0.2 1 1077 . 93 ALA N N 124.995 0.2 1 1078 . 93 ALA H H 8.311 0.01 1 1079 . 93 ALA CA C 53.065 0.2 1 1080 . 93 ALA HA H 4.294 0.01 1 1081 . 93 ALA CB C 19.387 0.2 1 1082 . 93 ALA HB H 1.389 0.01 1 1083 . 93 ALA C C 177.997 0.2 1 1084 . 94 ARG N N 120.209 0.2 1 1085 . 94 ARG H H 8.236 0.01 1 1086 . 94 ARG CA C 56.510 0.2 1 1087 . 94 ARG HA H 4.294 0.01 1 1088 . 94 ARG CB C 31.054 0.2 1 1089 . 94 ARG HB2 H 1.781 0.01 2 1090 . 94 ARG HB3 H 1.855 0.01 2 1091 . 94 ARG CG C 27.453 0.2 1 1092 . 94 ARG HG2 H 1.637 0.01 1 1093 . 94 ARG HG3 H 1.637 0.01 1 1094 . 94 ARG CD C 43.614 0.2 1 1095 . 94 ARG HD2 H 3.206 0.01 1 1096 . 94 ARG HD3 H 3.206 0.01 1 1097 . 94 ARG NE N 84.918 0.2 1 1098 . 94 ARG HE H 7.237 0.01 1 1099 . 94 ARG C C 176.569 0.2 1 1100 . 95 ARG N N 122.310 0.2 1 1101 . 95 ARG H H 8.273 0.01 1 1102 . 95 ARG CA C 56.437 0.2 1 1103 . 95 ARG HA H 4.327 0.01 1 1104 . 95 ARG CB C 31.195 0.2 1 1105 . 95 ARG HB2 H 1.771 0.01 2 1106 . 95 ARG HB3 H 1.857 0.01 2 1107 . 95 ARG CG C 27.460 0.2 1 1108 . 95 ARG HG2 H 1.644 0.01 1 1109 . 95 ARG HG3 H 1.644 0.01 1 1110 . 95 ARG CD C 43.625 0.2 1 1111 . 95 ARG HD2 H 3.205 0.01 1 1112 . 95 ARG HD3 H 3.205 0.01 1 1113 . 95 ARG NE N 84.918 0.2 1 1114 . 95 ARG HE H 7.237 0.01 1 1115 . 95 ARG C C 176.183 0.2 1 1116 . 96 ALA N N 125.227 0.2 1 1117 . 96 ALA H H 8.289 0.01 1 1118 . 96 ALA CA C 52.703 0.2 1 1119 . 96 ALA HA H 4.310 0.01 1 1120 . 96 ALA CB C 19.708 0.2 1 1121 . 96 ALA HB H 1.403 0.01 1 1122 . 96 ALA C C 177.640 0.2 1 1123 . 97 ALA N N 123.363 0.2 1 1124 . 97 ALA H H 8.286 0.01 1 1125 . 97 ALA CA C 52.978 0.2 1 1126 . 97 ALA HA H 4.360 0.01 1 1127 . 97 ALA CB C 19.591 0.2 1 1128 . 97 ALA HB H 1.427 0.01 1 1129 . 97 ALA C C 178.075 0.2 1 1130 . 98 THR N N 112.229 0.2 1 1131 . 98 THR H H 8.031 0.01 1 1132 . 98 THR CA C 61.981 0.2 1 1133 . 98 THR HA H 4.372 0.01 1 1134 . 98 THR CB C 70.053 0.2 1 1135 . 98 THR HB H 4.271 0.01 1 1136 . 98 THR CG2 C 21.917 0.2 1 1137 . 98 THR HG2 H 1.221 0.01 1 1138 . 98 THR C C 174.645 0.2 1 1139 . 99 SER N N 117.781 0.2 1 1140 . 99 SER H H 8.219 0.01 1 1141 . 99 SER CA C 58.466 0.2 1 1142 . 99 SER HA H 4.517 0.01 1 1143 . 99 SER CB C 64.247 0.2 1 1144 . 99 SER HB2 H 3.880 0.01 1 1145 . 99 SER HB3 H 3.880 0.01 1 1146 . 99 SER C C 174.607 0.2 1 1147 . 100 VAL N N 121.644 0.2 1 1148 . 100 VAL H H 8.072 0.01 1 1149 . 100 VAL CA C 62.784 0.2 1 1150 . 100 VAL HA H 4.089 0.01 1 1151 . 100 VAL CB C 32.880 0.2 1 1152 . 100 VAL HB H 2.082 0.01 1 1153 . 100 VAL CG2 C 20.795 0.2 1 1154 . 100 VAL HG2 H 0.922 0.01 1 1155 . 100 VAL CG1 C 21.542 0.2 1 1156 . 100 VAL HG1 H 0.922 0.01 1 1157 . 100 VAL C C 176.232 0.2 1 1158 . 101 LYS N N 124.331 0.2 1 1159 . 101 LYS H H 8.262 0.01 1 1160 . 101 LYS CA C 56.693 0.2 1 1161 . 101 LYS HA H 4.269 0.01 1 1162 . 101 LYS CB C 33.270 0.2 1 1163 . 101 LYS HB2 H 1.787 0.01 1 1164 . 101 LYS HB3 H 1.787 0.01 1 1165 . 101 LYS CG C 24.969 0.2 1 1166 . 101 LYS HG2 H 1.365 0.01 1 1167 . 101 LYS HG3 H 1.365 0.01 1 1168 . 101 LYS CD C 30.665 0.2 1 1169 . 101 LYS HD2 H 1.621 0.01 1 1170 . 101 LYS HD3 H 1.621 0.01 1 1171 . 101 LYS HE2 H 3.000 0.01 1 1172 . 101 LYS HE3 H 3.000 0.01 1 1173 . 101 LYS C C 176.297 0.2 1 1174 . 102 ASP N N 121.388 0.2 1 1175 . 102 ASP H H 8.156 0.01 1 1176 . 102 ASP CA C 54.610 0.2 1 1177 . 102 ASP HA H 4.564 0.01 1 1178 . 102 ASP CB C 41.722 0.2 1 1179 . 102 ASP HB2 H 2.655 0.01 2 1180 . 102 ASP HB3 H 2.732 0.01 2 1181 . 102 ASP C C 176.122 0.2 1 1182 . 103 ALA N N 124.123 0.2 1 1183 . 103 ALA H H 8.192 0.01 1 1184 . 103 ALA CA C 53.284 0.2 1 1185 . 103 ALA HA H 4.224 0.01 1 1186 . 103 ALA CB C 19.524 0.2 1 1187 . 103 ALA HB H 1.345 0.01 1 1188 . 103 ALA C C 177.527 0.2 1 1189 . 104 ASN N N 116.569 0.2 1 1190 . 104 ASN H H 8.349 0.01 1 1191 . 104 ASN CA C 53.561 0.2 1 1192 . 104 ASN HA H 4.650 0.01 1 1193 . 104 ASN CB C 39.273 0.2 1 1194 . 104 ASN HB2 H 2.710 0.01 1 1195 . 104 ASN HB3 H 2.710 0.01 1 1196 . 104 ASN ND2 N 113.336 0.2 1 1197 . 104 ASN HD21 H 6.854 0.01 2 1198 . 104 ASN HD22 H 7.596 0.01 2 1199 . 104 ASN C C 174.804 0.2 1 1200 . 105 PHE N N 120.680 0.2 1 1201 . 105 PHE H H 7.949 0.01 1 1202 . 105 PHE CA C 58.261 0.2 1 1203 . 105 PHE HA H 4.598 0.01 1 1204 . 105 PHE CB C 39.965 0.2 1 1205 . 105 PHE HB2 H 3.091 0.01 1 1206 . 105 PHE HB3 H 3.091 0.01 1 1207 . 105 PHE CD1 C 132.047 0.2 1 1208 . 105 PHE HD1 H 7.219 0.01 1 1209 . 105 PHE CE1 C 131.524 0.2 1 1210 . 105 PHE HE1 H 7.325 0.01 1 1211 . 105 PHE CZ C 129.914 0.2 1 1212 . 105 PHE HZ H 7.282 0.01 1 1213 . 105 PHE CE2 C 131.524 0.2 1 1214 . 105 PHE HE2 H 7.325 0.01 1 1215 . 105 PHE CD2 C 132.047 0.2 1 1216 . 105 PHE HD2 H 7.219 0.01 1 1217 . 105 PHE C C 175.264 0.2 1 1218 . 106 VAL N N 123.113 0.2 1 1219 . 106 VAL H H 7.896 0.01 1 1220 . 106 VAL CA C 62.262 0.2 1 1221 . 106 VAL HA H 4.040 0.01 1 1222 . 106 VAL CB C 33.444 0.2 1 1223 . 106 VAL HB H 1.981 0.01 1 1224 . 106 VAL CG2 C 20.971 0.2 1 1225 . 106 VAL HG2 H 0.879 0.01 1 1226 . 106 VAL CG1 C 21.439 0.2 1 1227 . 106 VAL HG1 H 0.879 0.01 1 1228 . 106 VAL C C 175.385 0.2 1 1229 . 107 GLU N N 124.642 0.2 1 1230 . 107 GLU H H 8.290 0.01 1 1231 . 107 GLU CA C 56.668 0.2 1 1232 . 107 GLU HA H 4.226 0.01 1 1233 . 107 GLU CB C 30.750 0.2 1 1234 . 107 GLU HB2 H 1.921 0.01 2 1235 . 107 GLU HB3 H 2.041 0.01 2 1236 . 107 GLU CG C 36.345 0.2 1 1237 . 107 GLU HG2 H 2.285 0.01 1 1238 . 107 GLU HG3 H 2.285 0.01 1 1239 . 107 GLU C C 176.135 0.2 1 1240 . 108 GLU N N 122.756 0.2 1 1241 . 108 GLU H H 8.384 0.01 1 1242 . 108 GLU CA C 56.536 0.2 1 1243 . 108 GLU HA H 4.336 0.01 1 1244 . 108 GLU CB C 30.667 0.2 1 1245 . 108 GLU HB2 H 2.034 0.01 2 1246 . 108 GLU HB3 H 1.927 0.01 2 1247 . 108 GLU CG C 36.281 0.2 1 1248 . 108 GLU HG2 H 2.267 0.01 1 1249 . 108 GLU HG3 H 2.267 0.01 1 1250 . 108 GLU C C 176.177 0.2 1 1251 . 109 VAL N N 121.475 0.2 1 1252 . 109 VAL H H 8.176 0.01 1 1253 . 109 VAL CA C 62.278 0.2 1 1254 . 109 VAL HA H 4.151 0.01 1 1255 . 109 VAL CB C 33.370 0.2 1 1256 . 109 VAL HB H 2.057 0.01 1 1257 . 109 VAL CG2 C 20.818 0.2 1 1258 . 109 VAL HG2 H 0.914 0.01 1 1259 . 109 VAL CG1 C 21.584 0.2 1 1260 . 109 VAL HG1 H 0.914 0.01 1 1261 . 109 VAL C C 175.989 0.2 1 1262 . 110 GLU N N 125.081 0.2 1 1263 . 110 GLU H H 8.461 0.01 1 1264 . 110 GLU CA C 56.567 0.2 1 1265 . 110 GLU HA H 4.365 0.01 1 1266 . 110 GLU CB C 30.750 0.2 1 1267 . 110 GLU HB2 H 2.052 0.01 2 1268 . 110 GLU HB3 H 1.928 0.01 2 1269 . 110 GLU CG C 36.345 0.2 1 1270 . 110 GLU HG2 H 2.282 0.01 1 1271 . 110 GLU HG3 H 2.282 0.01 1 1272 . 110 GLU C C 176.195 0.2 1 1273 . 111 GLU N N 122.972 0.2 1 1274 . 111 GLU H H 8.391 0.01 1 1275 . 111 GLU CA C 56.718 0.2 1 1276 . 111 GLU HA H 4.328 0.01 1 1277 . 111 GLU CB C 30.965 0.2 1 1278 . 111 GLU HB2 H 2.078 0.01 2 1279 . 111 GLU HB3 H 1.932 0.01 2 1280 . 111 GLU CG C 36.320 0.2 1 1281 . 111 GLU HG2 H 2.289 0.01 1 1282 . 111 GLU HG3 H 2.289 0.01 1 1283 . 111 GLU C C 175.521 0.2 1 1284 . 112 GLU N N 127.263 0.2 1 1285 . 112 GLU H H 8.037 0.01 1 1286 . 112 GLU CA C 58.274 0.2 1 1287 . 112 GLU HA H 4.127 0.01 1 1288 . 112 GLU CB C 31.096 0.2 1 1289 . 112 GLU HB2 H 2.059 0.01 2 1290 . 112 GLU HB3 H 1.913 0.01 2 1291 . 112 GLU HG2 H 2.250 0.01 1 1292 . 112 GLU HG3 H 2.250 0.01 1 1293 . 112 GLU C C 181.097 0.2 1 stop_ save_ ######################## # Coupling constants # ######################## save_3JHNHA _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'Protein Yfia' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 3 ASN H 3 ASN HA 9.4 . . 0.1 2 3JHNHA 5 THR H 5 THR HA 10.1 . . 0.3 3 3JHNHA 6 SER H 6 SER HA 6.2 . . 0.9 4 3JHNHA 7 LYS H 7 LYS HA 9.6 . . 1.2 5 3JHNHA 8 GLN H 8 GLN HA 9.3 . . 0.6 6 3JHNHA 11 ILE H 11 ILE HA 9.1 . . 0.1 7 3JHNHA 15 ILE H 15 ILE HA 6.2 . . 0.3 8 3JHNHA 17 GLN H 17 GLN HA 4.7 . . 0.3 9 3JHNHA 18 HIS H 18 HIS HA 3.7 . . 0.4 10 3JHNHA 19 VAL H 19 VAL HA 4.5 . . 0.5 11 3JHNHA 20 ALA H 20 ALA HA 3.1 . . 0.7 12 3JHNHA 21 ASP H 21 ASP HA 4.2 . . 0.3 13 3JHNHA 22 ARG H 22 ARG HA 6.7 . . 0.2 14 3JHNHA 23 LEU H 23 LEU HA 5.4 . . 0.3 15 3JHNHA 24 ALA H 24 ALA HA 4.0 . . 1.2 16 3JHNHA 25 LYS H 25 LYS HA 6.6 . . 0.2 17 3JHNHA 26 LEU H 26 LEU HA 6.8 . . 1.1 18 3JHNHA 29 TRP H 29 TRP HA 7.5 . . 0.5 19 3JHNHA 31 THR H 31 THR HA 6.7 . . 1.4 20 3JHNHA 35 ASN H 35 ASN HA 7.4 . . 2.5 21 3JHNHA 37 HIS H 37 HIS HA 9.3 . . 0.1 22 3JHNHA 38 ILE H 38 ILE HA 10.5 . . 0.8 23 3JHNHA 39 ILE H 39 ILE HA 10.0 . . 0.1 24 3JHNHA 40 LEU H 40 LEU HA 10.4 . . 0.1 25 3JHNHA 41 SER H 41 SER HA 9.9 . . 0.1 26 3JHNHA 43 GLU H 43 GLU HA 9.8 . . 0.1 27 3JHNHA 45 GLN H 45 GLN HA 8.1 . . 0.1 28 3JHNHA 47 PHE H 47 PHE HA 9.5 . . 0.1 29 3JHNHA 48 VAL H 48 VAL HA 10.4 . . 0.1 30 3JHNHA 49 ALA H 49 ALA HA 10.2 . . 0.1 31 3JHNHA 50 ASP H 50 ASP HA 9.6 . . 0.1 32 3JHNHA 51 ALA H 51 ALA HA 8.9 . . 0.1 33 3JHNHA 52 THR H 52 THR HA 8.7 . . 0.4 34 3JHNHA 53 ILE H 53 ILE HA 10.2 . . 0.1 35 3JHNHA 54 ASN H 54 ASN HA 8.4 . . 0.2 36 3JHNHA 55 THR H 55 THR HA 9.6 . . 0.1 37 3JHNHA 57 ASN H 57 ASN HA 10.2 . . 0.1 38 3JHNHA 60 LEU H 60 LEU HA 9.7 . . 0.1 39 3JHNHA 61 VAL H 61 VAL HA 9.2 . . 0.1 40 3JHNHA 62 ALA H 62 ALA HA 7.6 . . 0.1 41 3JHNHA 63 SER H 63 SER HA 8.8 . . 0.1 42 3JHNHA 66 HIS H 66 HIS HA 5.4 . . 0.2 43 3JHNHA 67 GLU H 67 GLU HA 4.0 . . 0.6 44 3JHNHA 68 ASP H 68 ASP HA 9.2 . . 0.6 45 3JHNHA 69 MET H 69 MET HA 2.3 . . 1.3 46 3JHNHA 70 TYR H 70 TYR HA 5.2 . . 0.2 47 3JHNHA 71 THR H 71 THR HA 4.9 . . 0.4 48 3JHNHA 72 ALA H 72 ALA HA 4.4 . . 0.9 49 3JHNHA 73 ILE H 73 ILE HA 4.5 . . 0.5 50 3JHNHA 74 ASN H 74 ASN HA 4.8 . . 0.4 51 3JHNHA 75 GLU H 75 GLU HA 4.9 . . 0.3 52 3JHNHA 76 LEU H 76 LEU HA 3.5 . . 0.8 53 3JHNHA 78 ASN H 78 ASN HA 3.7 . . 0.4 54 3JHNHA 80 LEU H 80 LEU HA 4.6 . . 0.5 55 3JHNHA 81 GLU H 81 GLU HA 3.2 . . 0.8 56 3JHNHA 82 ARG H 82 ARG HA 4.9 . . 0.3 57 3JHNHA 83 GLN H 83 GLN HA 6.3 . . 0.4 58 3JHNHA 84 LEU H 84 LEU HA 4.8 . . 0.8 59 3JHNHA 85 ASN H 85 ASN HA 4.5 . . 0.5 60 3JHNHA 86 LYS H 86 LYS HA 5.9 . . 0.2 61 3JHNHA 87 LEU H 87 LEU HA 5.5 . . 0.2 62 3JHNHA 88 GLN H 88 GLN HA 6.5 . . 0.1 63 3JHNHA 89 HIS H 89 HIS HA 7.5 . . 0.4 64 3JHNHA 90 LYS H 90 LYS HA 5.6 . . 0.2 65 3JHNHA 94 ARG H 94 ARG HA 7.7 . . 0.1 66 3JHNHA 95 ARG H 95 ARG HA 7.9 . . 0.1 67 3JHNHA 98 THR H 98 THR HA 8.9 . . 0.1 68 3JHNHA 100 VAL H 100 VAL HA 7.8 . . 0.1 69 3JHNHA 101 LYS H 101 LYS HA 7.6 . . 0.2 70 3JHNHA 103 ALA H 103 ALA HA 6.3 . . 0.1 71 3JHNHA 104 ASN H 104 ASN HA 9.1 . . 0.2 72 3JHNHA 105 PHE H 105 PHE HA 7.5 . . 0.2 73 3JHNHA 106 VAL H 106 VAL HA 8.9 . . 0.2 74 3JHNHA 110 GLU H 110 GLU HA 7.6 . . 0.2 75 3JHNHA 112 GLU H 112 GLU HA 8.3 . . 0.2 stop_ save_