data_18092 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal domain of human polypeptide chain release factor eRF1 ; _BMRB_accession_number 18092 _BMRB_flat_file_name bmr18092.str _Entry_type original _Submission_date 2011-11-21 _Accession_date 2011-11-21 _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 Polshakov Vladimir I. . 2 Eliseev Boris D. . 3 Birdsall Berry . . 4 Frolova Ludmila Yu . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 837 "13C chemical shifts" 522 "15N chemical shifts" 152 "T1 relaxation values" 125 "T2 relaxation values" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-22 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15366 ; NMR assignments of the C-terminal domain of human polypeptide release factor eRF1 ; 6116 'Backbone (H,CA,CB and N) resonance assignment of the N-terminal domain of human eRF1' 6763 'NMR assignments of the middle domain of human polypeptide release factor eRF1' stop_ _Original_release_date 2012-05-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and dynamics in solution of the stop codon decoding N-terminal domain of the human polypeptide chain release factor eRF1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22517631 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Polshakov Vladimir I. . 2 Eliseev Boris D. . 3 Birdsall Berry . . 4 Frolova 'Ludmila Yu' . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 21 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 896 _Page_last 903 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NeRF1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NeRF1 $NeRF1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NeRF1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NeRF1 _Molecular_mass 15698.317 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; MADDPSAADRNVEIWKIKKL IKSLEAARGNGTSMISLIIP PKDQISRVAKMLADEFGTAS NIKSRVNRLSVLGAITSVQQ RLKLYNKVPPNGLVVYCGTI VTEEGKEKKVNIDFEPFKPI NTSLYLCDNKFHTEALTALL SDLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ASP 4 ASP 5 PRO 6 SER 7 ALA 8 ALA 9 ASP 10 ARG 11 ASN 12 VAL 13 GLU 14 ILE 15 TRP 16 LYS 17 ILE 18 LYS 19 LYS 20 LEU 21 ILE 22 LYS 23 SER 24 LEU 25 GLU 26 ALA 27 ALA 28 ARG 29 GLY 30 ASN 31 GLY 32 THR 33 SER 34 MET 35 ILE 36 SER 37 LEU 38 ILE 39 ILE 40 PRO 41 PRO 42 LYS 43 ASP 44 GLN 45 ILE 46 SER 47 ARG 48 VAL 49 ALA 50 LYS 51 MET 52 LEU 53 ALA 54 ASP 55 GLU 56 PHE 57 GLY 58 THR 59 ALA 60 SER 61 ASN 62 ILE 63 LYS 64 SER 65 ARG 66 VAL 67 ASN 68 ARG 69 LEU 70 SER 71 VAL 72 LEU 73 GLY 74 ALA 75 ILE 76 THR 77 SER 78 VAL 79 GLN 80 GLN 81 ARG 82 LEU 83 LYS 84 LEU 85 TYR 86 ASN 87 LYS 88 VAL 89 PRO 90 PRO 91 ASN 92 GLY 93 LEU 94 VAL 95 VAL 96 TYR 97 CYS 98 GLY 99 THR 100 ILE 101 VAL 102 THR 103 GLU 104 GLU 105 GLY 106 LYS 107 GLU 108 LYS 109 LYS 110 VAL 111 ASN 112 ILE 113 ASP 114 PHE 115 GLU 116 PRO 117 PHE 118 LYS 119 PRO 120 ILE 121 ASN 122 THR 123 SER 124 LEU 125 TYR 126 LEU 127 CYS 128 ASP 129 ASN 130 LYS 131 PHE 132 HIS 133 THR 134 GLU 135 ALA 136 LEU 137 THR 138 ALA 139 LEU 140 LEU 141 SER 142 ASP 143 LEU 144 GLU 145 HIS 146 HIS 147 HIS 148 HIS 149 HIS 150 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 17822 entity 96.00 144 97.22 97.92 2.09e-97 BMRB 19506 eRF1 94.67 445 100.00 100.00 4.60e-95 BMRB 25016 entity 94.67 142 99.30 100.00 4.29e-98 BMRB 25020 entity 94.67 142 99.30 100.00 3.09e-98 PDB 1DT9 "The Crystal Structure Of Human Eukaryotic Release Factor Erf1-Mechanism Of Stop Codon Recognition And Peptidyl-Trna Hydrolysis" 94.67 437 100.00 100.00 1.75e-95 PDB 2LGT "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Qfm(Y)f" 96.00 144 97.22 97.92 2.09e-97 PDB 2LLX "Solution Structure Of The N-Terminal Domain Of Human Polypeptide Chain Release Factor Erf1" 100.00 150 100.00 100.00 5.42e-106 PDB 2MQ6 "Solution Structure Of Y125f Mutant Of Erf1 N-domain" 94.67 142 99.30 100.00 4.29e-98 PDB 2MQ9 "Solution Structure Of E55q Mutant Of Erf1 N-domain" 94.67 142 99.30 100.00 3.09e-98 PDB 3E1Y "Crystal Structure Of Human Erf1ERF3 COMPLEX" 94.67 451 100.00 100.00 5.00e-95 PDB 3J5Y "Structure Of The Mammalian Ribosomal Pre-termination Complex Associated With Erf1-erf3-gdpnp" 90.67 414 100.00 100.00 1.48e-90 PDB 4D5N "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 92.00 436 100.00 100.00 5.18e-92 PDB 4D61 "Cryo-em Structures Of Ribosomal 80s Complexes With Termination Factors And Cricket Paralysis Virus Ires Reveal The Ires In The " 92.00 436 100.00 100.00 5.18e-92 DBJ BAA85489 "eukaryotic polypeptide chain release factor 1 [Oryctolagus cuniculus]" 94.67 437 100.00 100.00 1.75e-95 DBJ BAC33839 "unnamed protein product [Mus musculus]" 94.67 437 100.00 100.00 1.87e-95 DBJ BAE31210 "unnamed protein product [Mus musculus]" 61.33 387 100.00 100.00 6.72e-57 DBJ BAE31619 "unnamed protein product [Mus musculus]" 61.33 387 100.00 100.00 6.72e-57 DBJ BAE37589 "unnamed protein product [Mus musculus]" 94.67 437 100.00 100.00 1.75e-95 EMBL CAA37987 "suppressor [Xenopus laevis]" 94.67 437 100.00 100.00 1.43e-95 EMBL CAA57281 "C11 protein [Homo sapiens]" 94.67 437 100.00 100.00 1.75e-95 EMBL CAA57282 "C11 protein [Mesocricetus auratus]" 94.67 437 100.00 100.00 1.75e-95 EMBL CAA78620 "XLCL1 [Xenopus laevis]" 94.67 437 100.00 100.00 1.43e-95 EMBL CAF90786 "unnamed protein product, partial [Tetraodon nigroviridis]" 94.67 443 100.00 100.00 2.50e-95 GB AAA36665 "TB3-1 [Homo sapiens]" 94.67 428 99.30 99.30 5.96e-94 GB AAB49726 "eukaryotic release factor 1 [Homo sapiens]" 94.67 437 100.00 100.00 1.75e-95 GB AAD43966 "eRF1 [Homo sapiens]" 94.67 437 100.00 100.00 1.75e-95 GB AAH13717 "Eukaryotic translation termination factor 1 [Mus musculus]" 94.67 437 99.30 99.30 2.45e-94 GB AAH14269 "ETF1 protein [Homo sapiens]" 72.67 404 100.00 100.00 8.30e-70 REF NP_001008345 "eukaryotic peptide chain release factor subunit 1 [Rattus norvegicus]" 94.67 437 100.00 100.00 1.75e-95 REF NP_001069722 "eukaryotic peptide chain release factor subunit 1 [Bos taurus]" 94.67 437 100.00 100.00 1.75e-95 REF NP_001076236 "eukaryotic peptide chain release factor subunit 1 [Oryctolagus cuniculus]" 94.67 437 100.00 100.00 1.75e-95 REF NP_001084363 "eukaryotic peptide chain release factor subunit 1 [Xenopus laevis]" 94.67 437 100.00 100.00 1.43e-95 REF NP_001126989 "eukaryotic peptide chain release factor subunit 1 [Pongo abelii]" 94.67 437 100.00 100.00 1.59e-95 SP P35615 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=O" 94.67 437 100.00 100.00 1.43e-95 SP P62495 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1; AltName: Full=P" 94.67 437 100.00 100.00 1.75e-95 SP P62496 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=Protein Cl1; Short=eR" 94.67 437 100.00 100.00 1.75e-95 SP P62497 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" 94.67 437 100.00 100.00 1.75e-95 SP P62498 "RecName: Full=Eukaryotic peptide chain release factor subunit 1; Short=Eukaryotic release factor 1; Short=eRF1" 94.67 437 100.00 100.00 1.95e-95 TPG DAA27419 "TPA: eukaryotic peptide chain release factor subunit 1 [Bos taurus]" 94.67 437 100.00 100.00 1.75e-95 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NeRF1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $NeRF1 'recombinant technology' . Escherichia coli BL21(DE3) pUBS pET23b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_13C15N_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NeRF1 1 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 25 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_13C15N_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NeRF1 1 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 25 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_unl_D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NeRF1 1 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_15N_H2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NeRF1 1 mM '[U-99% 15N]' 'sodium chloride' 25 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_15N_aniso _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NeRF1 1 mM '[U-99% 15N]' 'sodium chloride' 25 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' C12E5 5.00 % 'natural abundance' hexanol 1.068 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 5.99 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_AngleSearch _Saveframe_category software _Name AngleSearch _Version 2.10 loop_ _Vendor _Address _Electronic_address 'Polshakov, Feeney' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRest _Saveframe_category software _Name NMRest _Version 0.99 loop_ _Vendor _Address _Electronic_address Polshakov vpolsha@gmail.com . stop_ loop_ _Task 'data analysis' stop_ _Details 'NMR restraints analysis' save_ save_RelaxFit _Saveframe_category software _Name Relax _Version 0.99 loop_ _Vendor _Address _Electronic_address Polshakov vpolsha@gmail.com . stop_ loop_ _Task 'data analysis' stop_ _Details 'NMR relaxation data analysis' save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_InsightII _Saveframe_category software _Name InsightII _Version 2000 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details 'with cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'with cryoprobe' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_15N_H2O save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_13C15N_H2O save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_unl_D2O save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_unl_D2O save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_13C15N_H2O save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_13C15N_H2O save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_13C15N_H2O save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_13C15N_H2O save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_15N_H2O save_ save_3D_HNHB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_15N_H2O save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_13C15N_H2O save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_13C15N_D2O save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_15N_H2O save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_13C15N_D2O save_ save_2D_IPAP_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP' _Sample_label $sample_15N_aniso save_ save_2D_J-modulated_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D J-modulated 1H-15N HSQC' _Sample_label $sample_15N_H2O save_ save_15N{1H}_NOE_17 _Saveframe_category NMR_applied_experiment _Experiment_name '15N{1H} NOE' _Sample_label $sample_15N_H2O save_ save_15N_T1_18 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _Sample_label $sample_15N_H2O save_ save_15N_T2_19 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label $sample_15N_H2O save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.035 . M pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D DQF-COSY' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HNHA' '3D HNHB' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_15N_H2O $sample_13C15N_H2O $sample_unl_D2O $sample_13C15N_D2O stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NeRF1 _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 1 MET HA H 4.747 0.050 1 2 1 1 MET HB2 H 1.837 0.050 2 3 1 1 MET HB3 H 1.981 0.050 2 4 1 1 MET C C 176.963 0.100 1 5 1 1 MET CB C 35.846 0.100 1 6 2 2 ALA H H 8.238 0.004 1 7 2 2 ALA HA H 4.212 0.007 1 8 2 2 ALA HB H 1.308 0.008 1 9 2 2 ALA C C 177.764 0.100 1 10 2 2 ALA CA C 52.878 0.046 1 11 2 2 ALA CB C 19.629 0.034 1 12 2 2 ALA N N 129.550 0.041 1 13 3 3 ASP H H 8.316 0.003 1 14 3 3 ASP HA H 4.522 0.009 1 15 3 3 ASP HB2 H 2.530 0.050 2 16 3 3 ASP HB3 H 2.612 0.050 2 17 3 3 ASP C C 175.590 0.100 1 18 3 3 ASP CA C 54.340 0.052 1 19 3 3 ASP CB C 41.382 0.015 1 20 3 3 ASP N N 118.671 0.042 1 21 4 4 ASP H H 8.066 0.005 1 22 4 4 ASP HA H 4.858 0.004 1 23 4 4 ASP HB2 H 2.541 0.005 2 24 4 4 ASP HB3 H 2.738 0.002 2 25 4 4 ASP CA C 52.220 0.054 1 26 4 4 ASP CB C 41.548 0.037 1 27 4 4 ASP N N 121.157 0.034 1 28 5 5 PRO HA H 4.404 0.007 1 29 5 5 PRO HB2 H 1.967 0.010 2 30 5 5 PRO HB3 H 2.292 0.002 2 31 5 5 PRO HG2 H 2.282 0.050 2 32 5 5 PRO HG3 H 1.978 0.050 2 33 5 5 PRO HD2 H 3.813 0.008 2 34 5 5 PRO HD3 H 3.813 0.008 2 35 5 5 PRO C C 177.401 0.100 1 36 5 5 PRO CA C 64.122 0.109 1 37 5 5 PRO CB C 32.347 0.055 1 38 5 5 PRO CD C 51.124 0.065 1 39 6 6 SER H H 8.434 0.002 1 40 6 6 SER HA H 4.388 0.004 1 41 6 6 SER HB2 H 3.882 0.005 2 42 6 6 SER HB3 H 3.932 0.013 2 43 6 6 SER C C 174.808 0.100 1 44 6 6 SER CA C 59.172 0.084 1 45 6 6 SER CB C 64.046 0.101 1 46 6 6 SER N N 115.281 0.038 1 47 7 7 ALA H H 7.978 0.003 1 48 7 7 ALA HA H 4.173 0.008 1 49 7 7 ALA HB H 1.384 0.007 1 50 7 7 ALA C C 178.085 0.100 1 51 7 7 ALA CA C 53.621 0.069 1 52 7 7 ALA CB C 19.217 0.009 1 53 7 7 ALA N N 125.427 0.029 1 54 8 8 ALA H H 8.032 0.004 1 55 8 8 ALA HA H 4.147 0.008 1 56 8 8 ALA HB H 1.347 0.005 1 57 8 8 ALA C C 178.352 0.100 1 58 8 8 ALA CA C 53.828 0.081 1 59 8 8 ALA CB C 19.123 0.040 1 60 8 8 ALA N N 121.965 0.038 1 61 9 9 ASP H H 8.098 0.002 1 62 9 9 ASP HA H 4.484 0.006 1 63 9 9 ASP HB2 H 2.645 0.004 2 64 9 9 ASP HB3 H 2.718 0.010 2 65 9 9 ASP C C 177.292 0.100 1 66 9 9 ASP CA C 55.334 0.073 1 67 9 9 ASP CB C 41.263 0.077 1 68 9 9 ASP N N 118.961 0.035 1 69 10 10 ARG H H 8.192 0.003 1 70 10 10 ARG HA H 4.003 0.008 1 71 10 10 ARG HB2 H 1.804 0.006 2 72 10 10 ARG HB3 H 1.804 0.006 2 73 10 10 ARG HG2 H 1.563 0.010 2 74 10 10 ARG HG3 H 1.563 0.010 2 75 10 10 ARG HD2 H 3.125 0.011 2 76 10 10 ARG HD3 H 3.125 0.011 2 77 10 10 ARG C C 177.025 0.100 1 78 10 10 ARG CA C 58.021 0.079 1 79 10 10 ARG CB C 30.456 0.019 1 80 10 10 ARG CD C 43.501 0.029 1 81 10 10 ARG N N 121.849 0.042 1 82 11 11 ASN H H 8.229 0.003 1 83 11 11 ASN HA H 4.447 0.008 1 84 11 11 ASN HB2 H 2.642 0.010 1 85 11 11 ASN HB3 H 2.780 0.004 1 86 11 11 ASN HD21 H 7.676 0.002 2 87 11 11 ASN HD22 H 6.916 0.002 2 88 11 11 ASN C C 177.118 0.100 1 89 11 11 ASN CA C 55.517 0.049 1 90 11 11 ASN CB C 38.461 0.032 1 91 11 11 ASN N N 117.683 0.043 1 92 11 11 ASN ND2 N 113.183 0.045 1 93 12 12 VAL H H 7.855 0.004 1 94 12 12 VAL HA H 3.781 0.006 1 95 12 12 VAL HB H 2.149 0.003 1 96 12 12 VAL HG1 H 0.916 0.005 2 97 12 12 VAL HG2 H 0.989 0.007 2 98 12 12 VAL C C 177.650 0.100 1 99 12 12 VAL CA C 65.858 0.040 1 100 12 12 VAL CB C 32.099 0.035 1 101 12 12 VAL CG2 C 22.183 0.075 2 102 12 12 VAL N N 121.316 0.033 1 103 13 13 GLU H H 7.828 0.002 1 104 13 13 GLU HA H 3.986 0.007 1 105 13 13 GLU HB2 H 1.630 0.011 1 106 13 13 GLU HB3 H 1.744 0.004 1 107 13 13 GLU HG2 H 2.045 0.005 2 108 13 13 GLU HG3 H 2.149 0.004 2 109 13 13 GLU C C 179.181 0.100 1 110 13 13 GLU CA C 58.838 0.032 1 111 13 13 GLU CB C 28.966 0.001 1 112 13 13 GLU CG C 35.845 0.007 1 113 13 13 GLU N N 119.897 0.038 1 114 14 14 ILE H H 7.894 0.006 1 115 14 14 ILE HA H 3.383 0.006 1 116 14 14 ILE HB H 1.744 0.003 1 117 14 14 ILE HG12 H 1.414 0.012 2 118 14 14 ILE HG13 H 1.414 0.012 2 119 14 14 ILE HG2 H 0.672 0.003 1 120 14 14 ILE HD1 H 0.675 0.006 1 121 14 14 ILE C C 177.405 0.100 1 122 14 14 ILE CA C 65.406 0.059 1 123 14 14 ILE CB C 38.188 0.062 1 124 14 14 ILE CG2 C 17.463 0.090 1 125 14 14 ILE CD1 C 13.530 0.092 1 126 14 14 ILE N N 120.260 0.073 1 127 15 15 TRP H H 7.884 0.004 1 128 15 15 TRP HA H 4.197 0.005 1 129 15 15 TRP HB2 H 3.291 0.006 2 130 15 15 TRP HB3 H 3.384 0.007 2 131 15 15 TRP HD1 H 7.229 0.011 1 132 15 15 TRP HE1 H 10.136 0.004 1 133 15 15 TRP HE3 H 7.554 0.005 1 134 15 15 TRP HZ2 H 7.421 0.005 1 135 15 15 TRP HZ3 H 7.041 0.002 1 136 15 15 TRP HH2 H 7.148 0.003 1 137 15 15 TRP C C 178.505 0.100 1 138 15 15 TRP CA C 60.836 0.077 1 139 15 15 TRP CB C 28.804 0.071 1 140 15 15 TRP CZ2 C 113.174 2.436 1 141 15 15 TRP N N 120.258 0.062 1 142 15 15 TRP NE1 N 129.214 0.065 1 143 16 16 LYS H H 8.046 0.004 1 144 16 16 LYS HA H 3.659 0.005 1 145 16 16 LYS HB2 H 1.740 0.003 1 146 16 16 LYS HB3 H 1.839 0.004 1 147 16 16 LYS HG2 H 1.207 0.007 2 148 16 16 LYS HG3 H 1.207 0.007 2 149 16 16 LYS HD2 H 1.574 0.003 2 150 16 16 LYS HD3 H 1.574 0.003 2 151 16 16 LYS C C 179.741 0.100 1 152 16 16 LYS CA C 60.286 0.064 1 153 16 16 LYS CB C 33.043 0.046 1 154 16 16 LYS CG C 25.585 0.020 1 155 16 16 LYS N N 118.625 0.032 1 156 17 17 ILE H H 7.752 0.032 1 157 17 17 ILE HA H 3.720 0.007 1 158 17 17 ILE HB H 2.040 0.004 1 159 17 17 ILE HG12 H 1.316 0.006 2 160 17 17 ILE HG13 H 1.592 0.014 2 161 17 17 ILE HG2 H 0.937 0.005 1 162 17 17 ILE HD1 H 0.843 0.005 1 163 17 17 ILE C C 177.299 0.100 1 164 17 17 ILE CA C 63.768 0.109 1 165 17 17 ILE CB C 37.041 0.039 1 166 17 17 ILE CG2 C 18.998 0.029 1 167 17 17 ILE CD1 C 12.403 0.040 1 168 17 17 ILE N N 120.137 0.026 1 169 18 18 LYS H H 8.402 0.004 1 170 18 18 LYS HA H 3.743 0.006 1 171 18 18 LYS HB2 H 1.726 0.010 2 172 18 18 LYS HB3 H 1.769 0.008 2 173 18 18 LYS HG2 H 1.249 0.014 2 174 18 18 LYS HG3 H 1.249 0.014 2 175 18 18 LYS HD2 H 1.430 0.003 2 176 18 18 LYS HD3 H 1.430 0.003 2 177 18 18 LYS HE2 H 2.668 0.050 2 178 18 18 LYS HE3 H 2.783 0.050 2 179 18 18 LYS C C 179.428 0.100 1 180 18 18 LYS CA C 61.205 0.097 1 181 18 18 LYS CB C 32.748 0.022 1 182 18 18 LYS CD C 29.645 0.187 1 183 18 18 LYS N N 121.121 0.033 1 184 19 19 LYS H H 7.788 0.003 1 185 19 19 LYS HA H 3.793 0.004 1 186 19 19 LYS HB3 H 1.743 0.050 1 187 19 19 LYS HG2 H 1.152 0.004 2 188 19 19 LYS HG3 H 1.225 0.006 1 189 19 19 LYS HD2 H 1.401 0.001 2 190 19 19 LYS HD3 H 1.418 0.003 2 191 19 19 LYS HE2 H 2.681 0.006 2 192 19 19 LYS HE3 H 2.788 0.002 2 193 19 19 LYS C C 178.941 0.100 1 194 19 19 LYS CA C 59.417 0.041 1 195 19 19 LYS CB C 32.364 0.068 1 196 19 19 LYS CG C 24.829 0.029 1 197 19 19 LYS N N 118.522 0.040 1 198 20 20 LEU H H 7.671 0.002 1 199 20 20 LEU HA H 3.981 0.003 1 200 20 20 LEU HB2 H 1.596 0.005 2 201 20 20 LEU HB3 H 1.538 0.008 2 202 20 20 LEU HG H 1.326 0.003 1 203 20 20 LEU HD1 H 0.666 0.006 2 204 20 20 LEU HD2 H 0.666 0.006 2 205 20 20 LEU C C 178.854 0.100 1 206 20 20 LEU CA C 58.163 0.054 1 207 20 20 LEU CB C 42.091 0.024 1 208 20 20 LEU CG C 27.062 0.018 1 209 20 20 LEU CD1 C 23.676 0.033 2 210 20 20 LEU CD2 C 23.764 0.077 2 211 20 20 LEU N N 122.414 0.021 1 212 21 21 ILE H H 8.596 0.005 1 213 21 21 ILE HA H 3.250 0.007 1 214 21 21 ILE HB H 1.727 0.023 1 215 21 21 ILE HG12 H 1.754 0.011 2 216 21 21 ILE HG13 H 1.813 0.006 2 217 21 21 ILE HG2 H 0.773 0.005 1 218 21 21 ILE HD1 H 0.753 0.003 1 219 21 21 ILE C C 177.421 0.100 1 220 21 21 ILE CA C 66.679 0.108 1 221 21 21 ILE CB C 38.501 0.036 1 222 21 21 ILE CG2 C 17.709 0.044 1 223 21 21 ILE CD1 C 14.862 0.095 1 224 21 21 ILE N N 118.974 0.027 1 225 22 22 LYS H H 7.478 0.006 1 226 22 22 LYS HA H 3.996 0.006 1 227 22 22 LYS HB2 H 1.810 0.002 2 228 22 22 LYS HB3 H 1.810 0.002 2 229 22 22 LYS HD2 H 1.429 0.003 2 230 22 22 LYS HD3 H 1.429 0.003 2 231 22 22 LYS C C 179.476 0.100 1 232 22 22 LYS CA C 59.162 0.054 1 233 22 22 LYS CB C 32.205 0.048 1 234 22 22 LYS N N 117.209 0.030 1 235 23 23 SER H H 7.775 0.004 1 236 23 23 SER HA H 4.191 0.004 1 237 23 23 SER HB2 H 3.883 0.006 2 238 23 23 SER HB3 H 3.883 0.006 2 239 23 23 SER C C 176.806 0.100 1 240 23 23 SER CA C 61.543 0.116 1 241 23 23 SER CB C 63.250 0.088 1 242 23 23 SER N N 114.414 0.039 1 243 24 24 LEU H H 8.240 0.005 1 244 24 24 LEU HA H 4.080 0.011 1 245 24 24 LEU HB2 H 0.773 0.001 1 246 24 24 LEU HB3 H 1.611 0.050 1 247 24 24 LEU HG H 1.530 0.005 1 248 24 24 LEU HD1 H -0.101 0.007 1 249 24 24 LEU HD2 H 0.034 0.007 1 250 24 24 LEU C C 179.692 0.100 1 251 24 24 LEU CA C 57.267 0.078 1 252 24 24 LEU CB C 42.285 0.100 1 253 24 24 LEU CG C 26.181 0.016 1 254 24 24 LEU CD1 C 26.080 0.080 1 255 24 24 LEU CD2 C 21.755 0.039 1 256 24 24 LEU N N 121.125 0.058 1 257 25 25 GLU H H 8.486 0.003 1 258 25 25 GLU HA H 4.039 0.005 1 259 25 25 GLU HB2 H 1.973 0.011 1 260 25 25 GLU HB3 H 2.068 0.009 1 261 25 25 GLU HG2 H 2.237 0.005 2 262 25 25 GLU HG3 H 2.338 0.005 2 263 25 25 GLU C C 177.178 0.100 1 264 25 25 GLU CA C 59.078 0.025 1 265 25 25 GLU CB C 29.918 0.013 1 266 25 25 GLU N N 119.429 0.039 1 267 26 26 ALA H H 7.304 0.004 1 268 26 26 ALA HA H 4.281 0.007 1 269 26 26 ALA HB H 1.423 0.007 1 270 26 26 ALA C C 177.477 0.100 1 271 26 26 ALA CA C 52.454 0.049 1 272 26 26 ALA CB C 19.612 0.047 1 273 26 26 ALA N N 118.498 0.034 1 274 27 27 ALA H H 6.990 0.003 1 275 27 27 ALA HA H 4.215 0.005 1 276 27 27 ALA HB H 1.441 0.009 1 277 27 27 ALA C C 177.232 0.100 1 278 27 27 ALA CA C 52.896 0.051 1 279 27 27 ALA CB C 19.758 0.040 1 280 27 27 ALA N N 120.789 0.032 1 281 28 28 ARG H H 8.809 0.004 1 282 28 28 ARG HA H 4.723 0.011 1 283 28 28 ARG HB2 H 1.826 0.003 2 284 28 28 ARG HB3 H 1.826 0.003 2 285 28 28 ARG HG2 H 1.618 0.003 2 286 28 28 ARG HG3 H 1.618 0.003 2 287 28 28 ARG HD2 H 3.111 0.012 2 288 28 28 ARG HD3 H 3.324 0.004 2 289 28 28 ARG C C 174.914 0.100 1 290 28 28 ARG CA C 54.436 0.070 1 291 28 28 ARG CB C 33.674 0.053 1 292 28 28 ARG CG C 26.544 0.093 1 293 28 28 ARG CD C 43.471 0.027 1 294 28 28 ARG N N 123.612 0.031 1 295 29 29 GLY H H 8.120 0.006 1 296 29 29 GLY HA2 H 3.679 0.006 2 297 29 29 GLY HA3 H 4.421 0.008 2 298 29 29 GLY C C 173.701 0.100 1 299 29 29 GLY CA C 44.898 0.111 1 300 29 29 GLY N N 108.834 0.037 1 301 30 30 ASN H H 8.510 0.004 1 302 30 30 ASN HA H 4.809 0.005 1 303 30 30 ASN HB2 H 2.526 0.004 1 304 30 30 ASN HB3 H 2.647 0.009 1 305 30 30 ASN HD21 H 6.745 0.004 2 306 30 30 ASN HD22 H 7.571 0.004 2 307 30 30 ASN C C 175.416 0.100 1 308 30 30 ASN CA C 52.220 0.065 1 309 30 30 ASN CB C 38.552 0.041 1 310 30 30 ASN N N 119.448 0.026 1 311 30 30 ASN ND2 N 112.103 0.030 1 312 31 31 GLY H H 8.155 0.003 1 313 31 31 GLY HA2 H 3.775 0.008 2 314 31 31 GLY HA3 H 3.994 0.007 2 315 31 31 GLY C C 174.136 0.100 1 316 31 31 GLY CA C 45.545 0.041 1 317 31 31 GLY N N 110.112 0.034 1 318 32 32 THR H H 8.125 0.005 1 319 32 32 THR HA H 3.967 0.011 1 320 32 32 THR HB H 4.196 0.007 1 321 32 32 THR HG2 H 1.111 0.004 1 322 32 32 THR C C 174.404 0.100 1 323 32 32 THR CA C 59.937 0.108 1 324 32 32 THR CB C 68.757 0.066 1 325 32 32 THR CG2 C 21.668 0.198 1 326 32 32 THR N N 113.361 0.105 1 327 33 33 SER H H 7.667 0.004 1 328 33 33 SER HA H 4.416 0.009 1 329 33 33 SER HB2 H 3.546 0.006 2 330 33 33 SER HB3 H 3.546 0.006 2 331 33 33 SER C C 173.497 0.100 1 332 33 33 SER CA C 58.010 0.048 1 333 33 33 SER CB C 64.866 0.078 1 334 33 33 SER N N 114.669 0.044 1 335 34 34 MET H H 8.615 0.004 1 336 34 34 MET HA H 4.854 0.009 1 337 34 34 MET HB2 H 1.187 0.007 1 338 34 34 MET HB3 H 1.450 0.007 1 339 34 34 MET HG2 H 1.679 0.016 2 340 34 34 MET HG3 H 1.781 0.006 2 341 34 34 MET HE H 0.888 0.011 1 342 34 34 MET C C 175.284 0.100 1 343 34 34 MET CA C 55.196 0.100 1 344 34 34 MET CB C 35.093 0.086 1 345 34 34 MET CE C 17.924 0.010 1 346 34 34 MET N N 120.948 0.048 1 347 35 35 ILE H H 9.686 0.004 1 348 35 35 ILE HA H 5.122 0.012 1 349 35 35 ILE HB H 1.836 0.017 1 350 35 35 ILE HG12 H 1.183 0.006 2 351 35 35 ILE HG13 H 1.655 0.006 2 352 35 35 ILE HG2 H 0.909 0.004 1 353 35 35 ILE HD1 H 0.926 0.010 1 354 35 35 ILE C C 175.207 0.100 1 355 35 35 ILE CA C 60.899 0.064 1 356 35 35 ILE CB C 40.734 0.048 1 357 35 35 ILE CG2 C 18.294 0.146 1 358 35 35 ILE CD1 C 14.290 0.027 1 359 35 35 ILE N N 126.234 0.035 1 360 36 36 SER H H 8.498 0.004 1 361 36 36 SER HA H 5.037 0.016 1 362 36 36 SER HB2 H 3.902 0.011 2 363 36 36 SER HB3 H 3.902 0.011 2 364 36 36 SER C C 171.306 0.100 1 365 36 36 SER CA C 57.498 0.066 1 366 36 36 SER CB C 65.124 0.159 1 367 36 36 SER N N 122.010 0.061 1 368 37 37 LEU H H 8.806 0.005 1 369 37 37 LEU HA H 5.293 0.021 1 370 37 37 LEU HB2 H 1.211 0.013 1 371 37 37 LEU HB3 H 1.835 0.009 1 372 37 37 LEU HG H 1.362 0.006 1 373 37 37 LEU HD1 H 1.043 0.007 1 374 37 37 LEU HD2 H 0.716 0.005 1 375 37 37 LEU C C 172.950 0.100 1 376 37 37 LEU CA C 53.657 0.070 1 377 37 37 LEU CB C 45.572 0.052 1 378 37 37 LEU CD1 C 24.308 0.071 1 379 37 37 LEU CD2 C 27.665 0.058 1 380 37 37 LEU N N 127.653 0.035 1 381 38 38 ILE H H 9.214 0.004 1 382 38 38 ILE HA H 4.613 0.007 1 383 38 38 ILE HB H 1.588 0.007 1 384 38 38 ILE HG13 H 0.974 0.007 2 385 38 38 ILE HG2 H 0.667 0.007 1 386 38 38 ILE HD1 H 0.714 0.004 1 387 38 38 ILE C C 175.091 0.100 1 388 38 38 ILE CA C 60.956 0.065 1 389 38 38 ILE CB C 40.197 0.077 1 390 38 38 ILE CG2 C 18.502 0.067 1 391 38 38 ILE CD1 C 13.641 0.085 1 392 38 38 ILE N N 125.925 0.051 1 393 39 39 ILE H H 9.232 0.005 1 394 39 39 ILE HA H 4.543 0.007 1 395 39 39 ILE HB H 1.759 0.009 1 396 39 39 ILE HG12 H 0.805 0.008 2 397 39 39 ILE HG13 H 1.404 0.007 2 398 39 39 ILE HG2 H 0.894 0.007 1 399 39 39 ILE HD1 H 0.629 0.005 1 400 39 39 ILE CA C 57.776 0.035 1 401 39 39 ILE CB C 40.878 0.100 1 402 39 39 ILE CD1 C 15.120 0.075 1 403 39 39 ILE N N 129.218 0.038 1 404 40 40 PRO HA H 4.869 0.011 1 405 40 40 PRO HB2 H 2.080 0.003 2 406 40 40 PRO HB3 H 2.080 0.003 2 407 40 40 PRO HG2 H 1.796 0.202 2 408 40 40 PRO HG3 H 1.796 0.202 2 409 40 40 PRO HD2 H 3.708 0.013 2 410 40 40 PRO HD3 H 4.037 0.015 2 411 40 40 PRO CA C 61.994 0.083 1 412 40 40 PRO CB C 31.303 0.046 1 413 40 40 PRO CD C 50.727 0.055 1 414 41 41 PRO HA H 3.950 0.006 1 415 41 41 PRO HB2 H 1.759 0.004 2 416 41 41 PRO HB3 H 2.463 0.015 2 417 41 41 PRO HD2 H 3.510 0.009 2 418 41 41 PRO HD3 H 3.645 0.008 2 419 41 41 PRO C C 177.569 0.100 1 420 41 41 PRO CA C 64.434 0.123 1 421 41 41 PRO CB C 32.614 0.091 1 422 41 41 PRO CD C 50.551 0.036 1 423 42 42 LYS H H 8.104 0.005 1 424 42 42 LYS HA H 4.084 0.009 1 425 42 42 LYS HB2 H 1.922 0.001 2 426 42 42 LYS HB3 H 1.922 0.001 2 427 42 42 LYS HG2 H 1.319 0.001 2 428 42 42 LYS HG3 H 1.319 0.001 2 429 42 42 LYS HD2 H 1.735 0.050 2 430 42 42 LYS HD3 H 1.735 0.050 2 431 42 42 LYS HE2 H 2.962 0.050 2 432 42 42 LYS HE3 H 3.109 0.050 2 433 42 42 LYS C C 176.121 0.100 1 434 42 42 LYS CA C 57.229 0.060 1 435 42 42 LYS CB C 30.887 0.034 1 436 42 42 LYS N N 112.826 0.037 1 437 43 43 ASP H H 7.447 0.003 1 438 43 43 ASP HA H 4.637 0.003 1 439 43 43 ASP HB2 H 2.537 0.002 2 440 43 43 ASP HB3 H 2.588 0.004 2 441 43 43 ASP C C 174.193 0.100 1 442 43 43 ASP CA C 53.122 0.018 1 443 43 43 ASP CB C 42.691 0.071 1 444 43 43 ASP N N 121.025 0.029 1 445 44 44 GLN H H 9.400 0.003 1 446 44 44 GLN HA H 4.677 0.006 1 447 44 44 GLN HB2 H 2.193 0.004 1 448 44 44 GLN HB3 H 1.817 0.002 1 449 44 44 GLN HG2 H 2.392 0.002 2 450 44 44 GLN HG3 H 2.392 0.002 2 451 44 44 GLN HE21 H 7.443 0.002 2 452 44 44 GLN HE22 H 6.787 0.003 2 453 44 44 GLN C C 176.893 0.100 1 454 44 44 GLN CA C 54.323 0.068 1 455 44 44 GLN CB C 31.922 0.057 1 456 44 44 GLN N N 116.980 0.043 1 457 44 44 GLN NE2 N 112.745 0.046 1 458 45 45 ILE H H 8.896 0.005 1 459 45 45 ILE HA H 3.500 0.004 1 460 45 45 ILE HB H 1.828 0.003 1 461 45 45 ILE HG12 H 1.292 0.004 2 462 45 45 ILE HG13 H 1.292 0.004 2 463 45 45 ILE HG2 H 0.857 0.005 1 464 45 45 ILE HD1 H 0.508 0.006 1 465 45 45 ILE C C 177.372 0.100 1 466 45 45 ILE CA C 63.637 0.116 1 467 45 45 ILE CB C 36.651 0.100 1 468 45 45 ILE CG2 C 17.620 0.075 1 469 45 45 ILE CD1 C 11.397 0.034 1 470 45 45 ILE N N 126.367 0.032 1 471 46 46 SER H H 8.564 0.004 1 472 46 46 SER HA H 4.087 0.006 1 473 46 46 SER HB2 H 3.844 0.014 2 474 46 46 SER HB3 H 3.844 0.014 2 475 46 46 SER C C 176.989 0.100 1 476 46 46 SER CA C 61.133 0.031 1 477 46 46 SER CB C 62.080 0.026 1 478 46 46 SER N N 113.117 0.036 1 479 47 47 ARG H H 6.954 0.002 1 480 47 47 ARG HA H 4.018 0.005 1 481 47 47 ARG HB2 H 1.947 0.007 1 482 47 47 ARG HB3 H 2.089 0.015 1 483 47 47 ARG HG2 H 1.470 0.007 2 484 47 47 ARG HG3 H 1.710 0.007 2 485 47 47 ARG HD2 H 3.029 0.004 2 486 47 47 ARG HD3 H 3.339 0.006 2 487 47 47 ARG C C 179.098 0.100 1 488 47 47 ARG CA C 59.446 0.095 1 489 47 47 ARG CB C 30.474 0.028 1 490 47 47 ARG CG C 27.145 0.061 1 491 47 47 ARG CD C 42.312 0.040 1 492 47 47 ARG N N 123.926 0.022 1 493 48 48 VAL H H 7.390 0.003 1 494 48 48 VAL HA H 3.405 0.009 1 495 48 48 VAL HB H 2.033 0.004 1 496 48 48 VAL HG1 H 0.941 0.007 1 497 48 48 VAL HG2 H 0.810 0.008 1 498 48 48 VAL C C 177.354 0.100 1 499 48 48 VAL CA C 66.410 0.088 1 500 48 48 VAL CB C 32.028 0.049 1 501 48 48 VAL CG1 C 22.365 0.004 1 502 48 48 VAL CG2 C 22.734 0.035 1 503 48 48 VAL N N 121.478 0.032 1 504 49 49 ALA H H 8.867 0.002 1 505 49 49 ALA HA H 3.941 0.004 1 506 49 49 ALA HB H 1.365 0.003 1 507 49 49 ALA C C 180.710 0.100 1 508 49 49 ALA CA C 55.665 0.044 1 509 49 49 ALA CB C 18.289 0.065 1 510 49 49 ALA N N 121.362 0.027 1 511 50 50 LYS H H 7.532 0.004 1 512 50 50 LYS HA H 4.046 0.006 1 513 50 50 LYS HB2 H 1.915 0.012 2 514 50 50 LYS HB3 H 1.915 0.012 2 515 50 50 LYS HG2 H 1.453 0.003 2 516 50 50 LYS HG3 H 1.453 0.003 2 517 50 50 LYS HD2 H 1.577 0.050 2 518 50 50 LYS HD3 H 1.577 0.050 2 519 50 50 LYS HE2 H 2.945 0.050 2 520 50 50 LYS HE3 H 2.945 0.050 2 521 50 50 LYS C C 177.575 0.100 1 522 50 50 LYS CA C 59.293 0.051 1 523 50 50 LYS CB C 32.320 0.025 1 524 50 50 LYS N N 119.979 0.036 1 525 51 51 MET H H 7.766 0.003 1 526 51 51 MET HA H 4.111 0.006 1 527 51 51 MET HB2 H 2.030 0.006 2 528 51 51 MET HB3 H 2.030 0.006 2 529 51 51 MET HG2 H 2.244 0.016 2 530 51 51 MET HG3 H 2.619 0.009 2 531 51 51 MET HE H 1.670 0.004 1 532 51 51 MET C C 179.016 0.100 1 533 51 51 MET CA C 59.349 0.070 1 534 51 51 MET CB C 31.312 0.051 1 535 51 51 MET CG C 31.405 0.034 1 536 51 51 MET CE C 16.563 0.073 1 537 51 51 MET N N 121.192 0.037 1 538 52 52 LEU H H 8.341 0.004 1 539 52 52 LEU HA H 3.768 0.006 1 540 52 52 LEU HB2 H 1.203 0.012 1 541 52 52 LEU HB3 H 1.870 0.007 1 542 52 52 LEU HG H 1.692 0.004 1 543 52 52 LEU HD1 H 0.702 0.010 1 544 52 52 LEU HD2 H 0.644 0.007 1 545 52 52 LEU C C 178.482 0.100 1 546 52 52 LEU CA C 57.728 0.075 1 547 52 52 LEU CB C 42.053 0.003 1 548 52 52 LEU CD2 C 23.153 0.068 1 549 52 52 LEU N N 119.178 0.029 1 550 53 53 ALA H H 7.846 0.004 1 551 53 53 ALA HA H 4.084 0.007 1 552 53 53 ALA HB H 1.444 0.002 1 553 53 53 ALA C C 181.343 0.100 1 554 53 53 ALA CA C 55.215 0.038 1 555 53 53 ALA CB C 18.081 0.068 1 556 53 53 ALA N N 122.654 0.037 1 557 54 54 ASP H H 8.372 0.003 1 558 54 54 ASP HA H 4.460 0.004 1 559 54 54 ASP HB2 H 2.707 0.014 1 560 54 54 ASP HB3 H 2.982 0.007 1 561 54 54 ASP C C 179.710 0.100 1 562 54 54 ASP CA C 57.622 0.061 1 563 54 54 ASP CB C 39.823 0.055 1 564 54 54 ASP N N 122.465 0.026 1 565 55 55 GLU H H 8.396 0.005 1 566 55 55 GLU HA H 4.046 0.007 1 567 55 55 GLU HB2 H 2.033 0.002 2 568 55 55 GLU HB3 H 2.123 0.007 2 569 55 55 GLU C C 179.000 0.100 1 570 55 55 GLU CA C 59.006 0.040 1 571 55 55 GLU CB C 29.383 0.100 1 572 55 55 GLU N N 121.547 0.059 1 573 56 56 PHE H H 8.845 0.003 1 574 56 56 PHE HA H 3.827 0.008 1 575 56 56 PHE HB2 H 3.446 0.007 1 576 56 56 PHE HB3 H 3.102 0.006 1 577 56 56 PHE HD1 H 7.044 0.008 3 578 56 56 PHE HD2 H 7.044 0.008 3 579 56 56 PHE HE1 H 7.294 0.009 3 580 56 56 PHE HE2 H 7.294 0.009 3 581 56 56 PHE HZ H 7.246 0.003 1 582 56 56 PHE C C 178.149 0.100 1 583 56 56 PHE CA C 61.995 0.057 1 584 56 56 PHE CB C 39.621 0.051 1 585 56 56 PHE N N 122.847 0.029 1 586 57 57 GLY H H 8.118 0.006 1 587 57 57 GLY HA2 H 3.869 0.009 2 588 57 57 GLY HA3 H 4.079 0.007 2 589 57 57 GLY C C 176.737 0.100 1 590 57 57 GLY CA C 47.449 0.103 1 591 57 57 GLY N N 106.766 0.055 1 592 58 58 THR H H 8.136 0.004 1 593 58 58 THR HA H 4.018 0.006 1 594 58 58 THR HB H 4.207 0.006 1 595 58 58 THR HG2 H 1.224 0.006 1 596 58 58 THR C C 177.382 0.100 1 597 58 58 THR CA C 65.830 0.057 1 598 58 58 THR CB C 68.908 0.103 1 599 58 58 THR CG2 C 22.287 0.127 1 600 58 58 THR N N 118.510 0.031 1 601 59 59 ALA H H 8.532 0.002 1 602 59 59 ALA HA H 4.086 0.003 1 603 59 59 ALA HB H 1.328 0.007 1 604 59 59 ALA C C 178.477 0.100 1 605 59 59 ALA CA C 54.298 0.021 1 606 59 59 ALA CB C 18.843 0.063 1 607 59 59 ALA N N 125.742 0.031 1 608 60 60 SER H H 7.631 0.005 1 609 60 60 SER HA H 3.908 0.011 1 610 60 60 SER HB2 H 3.785 0.007 1 611 60 60 SER HB3 H 3.975 0.014 1 612 60 60 SER C C 173.778 0.100 1 613 60 60 SER CA C 61.667 0.052 1 614 60 60 SER CB C 63.407 0.038 1 615 60 60 SER N N 111.874 0.037 1 616 61 61 ASN H H 7.498 0.004 1 617 61 61 ASN HA H 4.680 0.009 1 618 61 61 ASN HB2 H 2.906 0.008 1 619 61 61 ASN HB3 H 2.746 0.003 1 620 61 61 ASN HD21 H 7.471 0.002 2 621 61 61 ASN HD22 H 6.944 0.003 2 622 61 61 ASN C C 175.554 0.100 1 623 61 61 ASN CA C 53.418 0.060 1 624 61 61 ASN CB C 39.718 0.004 1 625 61 61 ASN N N 116.569 0.034 1 626 61 61 ASN ND2 N 113.989 0.041 1 627 62 62 ILE H H 7.594 0.003 1 628 62 62 ILE HA H 3.793 0.008 1 629 62 62 ILE HB H 1.675 0.004 1 630 62 62 ILE HG2 H 1.017 0.006 1 631 62 62 ILE HD1 H 0.952 0.007 1 632 62 62 ILE C C 177.149 0.100 1 633 62 62 ILE CA C 63.678 0.041 1 634 62 62 ILE CB C 39.037 0.121 1 635 62 62 ILE CG2 C 17.712 0.043 1 636 62 62 ILE CD1 C 14.328 0.021 1 637 62 62 ILE N N 123.349 0.035 1 638 63 63 LYS H H 8.530 0.006 1 639 63 63 LYS HA H 3.974 0.011 1 640 63 63 LYS HB2 H 1.801 0.001 2 641 63 63 LYS HB3 H 1.801 0.001 2 642 63 63 LYS HG2 H 1.439 0.050 2 643 63 63 LYS HG3 H 1.541 0.050 2 644 63 63 LYS C C 177.468 0.100 1 645 63 63 LYS CA C 59.071 0.055 1 646 63 63 LYS CB C 32.736 0.187 1 647 63 63 LYS N N 128.149 0.035 1 648 64 64 SER H H 7.720 0.003 1 649 64 64 SER HA H 4.456 0.005 1 650 64 64 SER HB2 H 3.735 0.007 1 651 64 64 SER HB3 H 3.993 0.005 1 652 64 64 SER CA C 57.131 0.030 1 653 64 64 SER CB C 63.442 0.068 1 654 64 64 SER N N 113.837 0.040 1 655 65 65 ARG H H 8.843 0.050 1 656 65 65 ARG HA H 3.837 0.006 1 657 65 65 ARG HB2 H 1.838 0.010 1 658 65 65 ARG HB3 H 1.928 0.007 1 659 65 65 ARG HG2 H 1.525 0.050 2 660 65 65 ARG HG3 H 1.608 0.050 2 661 65 65 ARG HD2 H 3.202 0.004 2 662 65 65 ARG HD3 H 3.202 0.004 2 663 65 65 ARG C C 177.444 0.100 1 664 65 65 ARG CA C 60.161 0.060 1 665 65 65 ARG CB C 30.450 0.036 1 666 65 65 ARG N N 131.168 0.050 1 667 66 66 VAL H H 8.081 0.003 1 668 66 66 VAL HA H 3.719 0.007 1 669 66 66 VAL HB H 1.890 0.009 1 670 66 66 VAL HG1 H 0.965 0.005 2 671 66 66 VAL HG2 H 0.871 0.004 2 672 66 66 VAL C C 178.347 0.100 1 673 66 66 VAL CA C 65.758 0.068 1 674 66 66 VAL CB C 32.077 0.065 1 675 66 66 VAL N N 116.499 0.037 1 676 67 67 ASN H H 7.517 0.008 1 677 67 67 ASN HA H 4.547 0.006 1 678 67 67 ASN HB2 H 2.674 0.006 1 679 67 67 ASN HB3 H 2.781 0.006 1 680 67 67 ASN HD21 H 7.530 0.001 2 681 67 67 ASN HD22 H 6.942 0.002 2 682 67 67 ASN C C 176.476 0.100 1 683 67 67 ASN CA C 55.770 0.063 1 684 67 67 ASN CB C 38.629 0.064 1 685 67 67 ASN N N 119.071 0.025 1 686 67 67 ASN ND2 N 111.191 0.019 1 687 68 68 ARG H H 8.617 0.003 1 688 68 68 ARG HA H 3.778 0.009 1 689 68 68 ARG HB2 H 1.781 0.012 1 690 68 68 ARG HB3 H 1.857 0.005 1 691 68 68 ARG HG2 H 1.260 0.006 2 692 68 68 ARG HG3 H 1.260 0.006 2 693 68 68 ARG HD2 H 3.203 0.007 2 694 68 68 ARG HD3 H 3.403 0.006 2 695 68 68 ARG C C 177.416 0.100 1 696 68 68 ARG CA C 60.189 0.058 1 697 68 68 ARG CB C 31.161 0.066 1 698 68 68 ARG CD C 43.668 0.123 1 699 68 68 ARG N N 121.424 0.056 1 700 69 69 LEU H H 8.251 0.003 1 701 69 69 LEU HA H 3.953 0.013 1 702 69 69 LEU HB2 H 1.515 0.008 1 703 69 69 LEU HB3 H 1.825 0.005 1 704 69 69 LEU HG H 1.842 0.003 1 705 69 69 LEU HD1 H 0.850 0.008 2 706 69 69 LEU HD2 H 0.850 0.008 2 707 69 69 LEU C C 180.982 0.100 1 708 69 69 LEU CA C 58.335 0.023 1 709 69 69 LEU CB C 41.404 0.074 1 710 69 69 LEU CD1 C 22.876 0.100 2 711 69 69 LEU N N 116.154 0.038 1 712 70 70 SER H H 7.776 0.004 1 713 70 70 SER HA H 4.254 0.005 1 714 70 70 SER HB2 H 3.876 0.019 1 715 70 70 SER HB3 H 4.036 0.015 1 716 70 70 SER C C 176.728 0.100 1 717 70 70 SER CA C 62.031 0.029 1 718 70 70 SER CB C 63.271 0.047 1 719 70 70 SER N N 116.231 0.024 1 720 71 71 VAL H H 8.074 0.003 1 721 71 71 VAL HA H 3.688 0.009 1 722 71 71 VAL HB H 1.982 0.007 1 723 71 71 VAL HG1 H 0.953 0.011 2 724 71 71 VAL HG2 H 1.021 0.007 2 725 71 71 VAL C C 177.778 0.100 1 726 71 71 VAL CA C 67.158 0.036 1 727 71 71 VAL CB C 32.406 0.072 1 728 71 71 VAL CG1 C 22.167 0.153 2 729 71 71 VAL CG2 C 23.347 0.100 2 730 71 71 VAL N N 124.054 0.034 1 731 72 72 LEU H H 8.504 0.004 1 732 72 72 LEU HA H 3.863 0.012 1 733 72 72 LEU HB2 H 1.376 0.011 1 734 72 72 LEU HB3 H 1.694 0.010 1 735 72 72 LEU HG H 1.657 0.012 1 736 72 72 LEU HD1 H 0.564 0.007 1 737 72 72 LEU HD2 H 0.002 0.005 1 738 72 72 LEU C C 180.778 0.100 1 739 72 72 LEU CA C 58.645 0.040 1 740 72 72 LEU CB C 41.033 0.082 1 741 72 72 LEU CG C 26.251 0.037 1 742 72 72 LEU CD1 C 26.148 0.084 1 743 72 72 LEU CD2 C 22.709 0.045 1 744 72 72 LEU N N 118.256 0.039 1 745 73 73 GLY H H 8.168 0.002 1 746 73 73 GLY HA2 H 3.856 0.005 2 747 73 73 GLY HA3 H 3.973 0.010 2 748 73 73 GLY C C 176.177 0.100 1 749 73 73 GLY CA C 47.339 0.084 1 750 73 73 GLY N N 106.122 0.035 1 751 74 74 ALA H H 7.799 0.005 1 752 74 74 ALA HA H 4.274 0.006 1 753 74 74 ALA HB H 1.555 0.008 1 754 74 74 ALA C C 179.364 0.100 1 755 74 74 ALA CA C 55.869 0.073 1 756 74 74 ALA CB C 18.403 0.075 1 757 74 74 ALA N N 126.721 0.039 1 758 75 75 ILE H H 8.761 0.004 1 759 75 75 ILE HA H 3.469 0.004 1 760 75 75 ILE HB H 1.951 0.011 1 761 75 75 ILE HG12 H 2.046 0.002 2 762 75 75 ILE HG13 H 2.046 0.002 2 763 75 75 ILE HG2 H 1.018 0.003 1 764 75 75 ILE HD1 H 0.803 0.004 1 765 75 75 ILE C C 178.428 0.100 1 766 75 75 ILE CA C 66.869 0.090 1 767 75 75 ILE CB C 38.879 0.100 1 768 75 75 ILE CG2 C 18.584 0.050 1 769 75 75 ILE CD1 C 14.946 0.016 1 770 75 75 ILE N N 119.066 0.041 1 771 76 76 THR H H 8.488 0.005 1 772 76 76 THR HA H 4.190 0.007 1 773 76 76 THR HB H 4.342 0.005 1 774 76 76 THR HG2 H 1.274 0.003 1 775 76 76 THR C C 177.017 0.100 1 776 76 76 THR CA C 67.026 0.098 1 777 76 76 THR CB C 69.102 0.090 1 778 76 76 THR CG2 C 21.694 0.036 1 779 76 76 THR N N 115.188 0.043 1 780 77 77 SER H H 7.907 0.003 1 781 77 77 SER HA H 4.245 0.006 1 782 77 77 SER HB2 H 4.065 0.025 2 783 77 77 SER HB3 H 4.170 0.004 2 784 77 77 SER C C 176.999 0.100 1 785 77 77 SER CA C 62.924 0.068 1 786 77 77 SER CB C 63.641 0.100 1 787 77 77 SER N N 117.964 0.042 1 788 78 78 VAL H H 8.240 0.005 1 789 78 78 VAL HA H 3.699 0.008 1 790 78 78 VAL HB H 2.278 0.008 1 791 78 78 VAL HG1 H 0.916 0.003 1 792 78 78 VAL HG2 H 1.124 0.005 1 793 78 78 VAL C C 178.003 0.100 1 794 78 78 VAL CA C 67.151 0.068 1 795 78 78 VAL CB C 31.531 0.088 1 796 78 78 VAL CG2 C 24.219 0.023 1 797 78 78 VAL N N 123.707 0.063 1 798 79 79 GLN H H 8.785 0.004 1 799 79 79 GLN HA H 3.927 0.005 1 800 79 79 GLN HB2 H 1.854 0.007 1 801 79 79 GLN HB3 H 2.169 0.002 1 802 79 79 GLN HG2 H 2.425 0.012 2 803 79 79 GLN HG3 H 2.425 0.012 2 804 79 79 GLN HE21 H 7.088 0.005 2 805 79 79 GLN HE22 H 6.497 0.001 2 806 79 79 GLN C C 179.543 0.100 1 807 79 79 GLN CA C 59.918 0.012 1 808 79 79 GLN CB C 29.626 0.051 1 809 79 79 GLN N N 119.165 0.042 1 810 79 79 GLN NE2 N 108.961 0.036 1 811 80 80 GLN H H 7.994 0.002 1 812 80 80 GLN HA H 3.917 0.004 1 813 80 80 GLN HB2 H 2.095 0.009 1 814 80 80 GLN HB3 H 2.232 0.016 1 815 80 80 GLN HG2 H 2.548 0.007 2 816 80 80 GLN HG3 H 2.435 0.004 2 817 80 80 GLN HE21 H 7.338 0.002 2 818 80 80 GLN HE22 H 6.855 0.004 2 819 80 80 GLN C C 178.614 0.100 1 820 80 80 GLN CA C 58.904 0.042 1 821 80 80 GLN CB C 28.514 0.070 1 822 80 80 GLN CG C 34.135 0.007 1 823 80 80 GLN N N 116.260 0.040 1 824 80 80 GLN NE2 N 111.868 0.206 1 825 81 81 ARG H H 7.654 0.004 1 826 81 81 ARG HA H 4.142 0.006 1 827 81 81 ARG HB2 H 1.913 0.011 1 828 81 81 ARG HB3 H 2.006 0.011 1 829 81 81 ARG HG2 H 1.623 0.003 2 830 81 81 ARG HG3 H 1.955 0.004 2 831 81 81 ARG HD2 H 3.123 0.005 2 832 81 81 ARG HD3 H 3.123 0.005 2 833 81 81 ARG HE H 7.793 0.002 1 834 81 81 ARG C C 178.730 0.100 1 835 81 81 ARG CA C 57.033 0.061 1 836 81 81 ARG CB C 28.856 0.114 1 837 81 81 ARG CG C 25.354 0.027 1 838 81 81 ARG CD C 41.765 0.030 1 839 81 81 ARG N N 118.448 0.034 1 840 81 81 ARG NE N 82.449 0.017 1 841 82 82 LEU H H 8.281 0.004 1 842 82 82 LEU HA H 4.013 0.006 1 843 82 82 LEU HB2 H 1.483 0.005 1 844 82 82 LEU HB3 H 1.694 0.003 1 845 82 82 LEU HG H 1.789 0.004 1 846 82 82 LEU HD1 H 0.633 0.007 1 847 82 82 LEU HD2 H 0.577 0.008 1 848 82 82 LEU C C 178.727 0.100 1 849 82 82 LEU CA C 57.769 0.053 1 850 82 82 LEU CB C 41.554 0.057 1 851 82 82 LEU CG C 26.755 0.011 1 852 82 82 LEU CD1 C 25.786 0.034 1 853 82 82 LEU CD2 C 23.230 0.059 1 854 82 82 LEU N N 116.778 0.035 1 855 83 83 LYS H H 7.210 0.004 1 856 83 83 LYS HA H 4.100 0.003 1 857 83 83 LYS HB2 H 1.830 0.002 2 858 83 83 LYS HB3 H 1.830 0.002 2 859 83 83 LYS HG2 H 1.707 0.050 2 860 83 83 LYS HG3 H 1.707 0.050 2 861 83 83 LYS HD2 H 1.591 0.007 2 862 83 83 LYS HD3 H 1.591 0.007 2 863 83 83 LYS HE2 H 2.838 0.031 2 864 83 83 LYS HE3 H 2.838 0.031 2 865 83 83 LYS C C 177.351 0.100 1 866 83 83 LYS CA C 58.115 0.049 1 867 83 83 LYS CB C 32.625 0.014 1 868 83 83 LYS N N 114.654 0.042 1 869 84 84 LEU H H 7.383 0.002 1 870 84 84 LEU HA H 4.005 0.009 1 871 84 84 LEU HB2 H 1.235 0.004 1 872 84 84 LEU HB3 H 1.716 0.010 1 873 84 84 LEU HG H 1.695 0.008 1 874 84 84 LEU HD1 H 0.875 0.005 1 875 84 84 LEU HD2 H 0.731 0.003 1 876 84 84 LEU C C 176.614 0.100 1 877 84 84 LEU CA C 55.724 0.064 1 878 84 84 LEU CB C 41.260 0.031 1 879 84 84 LEU CD1 C 25.174 0.068 1 880 84 84 LEU CD2 C 22.450 0.019 1 881 84 84 LEU N N 117.279 0.032 1 882 85 85 TYR H H 7.777 0.003 1 883 85 85 TYR HA H 4.399 0.004 1 884 85 85 TYR HB2 H 2.801 0.003 2 885 85 85 TYR HB3 H 2.801 0.003 2 886 85 85 TYR HD1 H 7.134 0.006 3 887 85 85 TYR HD2 H 7.134 0.006 3 888 85 85 TYR HE1 H 6.615 0.007 3 889 85 85 TYR HE2 H 6.615 0.007 3 890 85 85 TYR CA C 58.088 0.030 1 891 85 85 TYR CB C 40.124 0.100 1 892 85 85 TYR N N 119.156 0.030 1 893 86 86 ASN H H 7.764 0.050 1 894 86 86 ASN HA H 4.625 0.004 1 895 86 86 ASN HB2 H 2.777 0.006 2 896 86 86 ASN HB3 H 2.777 0.006 2 897 86 86 ASN HD21 H 7.584 0.003 2 898 86 86 ASN HD22 H 6.895 0.003 2 899 86 86 ASN C C 174.975 0.100 1 900 86 86 ASN CA C 54.121 0.088 1 901 86 86 ASN CB C 39.372 0.045 1 902 86 86 ASN N N 114.743 0.050 1 903 86 86 ASN ND2 N 112.726 0.164 1 904 87 87 LYS H H 7.752 0.004 1 905 87 87 LYS HA H 4.591 0.005 1 906 87 87 LYS HB2 H 1.687 0.016 1 907 87 87 LYS HB3 H 1.853 0.003 1 908 87 87 LYS HG2 H 1.197 0.008 2 909 87 87 LYS HG3 H 1.295 0.010 2 910 87 87 LYS HD2 H 1.385 0.003 2 911 87 87 LYS HD3 H 1.385 0.003 2 912 87 87 LYS HE2 H 2.973 0.007 2 913 87 87 LYS HE3 H 2.973 0.007 2 914 87 87 LYS C C 175.093 0.100 1 915 87 87 LYS CA C 54.588 0.060 1 916 87 87 LYS CB C 35.204 0.049 1 917 87 87 LYS CG C 24.876 0.014 1 918 87 87 LYS N N 115.723 0.035 1 919 88 88 VAL H H 8.472 0.003 1 920 88 88 VAL HA H 3.753 0.013 1 921 88 88 VAL HB H 1.894 0.010 1 922 88 88 VAL HG1 H 0.969 0.005 1 923 88 88 VAL HG2 H 0.717 0.008 1 924 88 88 VAL CA C 62.389 0.158 1 925 88 88 VAL CB C 32.892 0.100 1 926 88 88 VAL CG1 C 21.501 0.076 1 927 88 88 VAL CG2 C 23.863 0.062 1 928 88 88 VAL N N 124.643 0.036 1 929 89 89 PRO HA H 4.618 0.006 1 930 89 89 PRO HB2 H 2.057 0.009 2 931 89 89 PRO HB3 H 2.455 0.006 2 932 89 89 PRO HG2 H 2.095 0.050 2 933 89 89 PRO HG3 H 1.965 0.005 2 934 89 89 PRO HD2 H 3.137 0.006 2 935 89 89 PRO HD3 H 3.137 0.006 2 936 89 89 PRO CA C 62.660 0.223 1 937 89 89 PRO CB C 30.339 0.050 1 938 89 89 PRO CD C 51.708 0.125 1 939 90 90 PRO HA H 4.196 0.003 1 940 90 90 PRO HB2 H 1.863 0.006 2 941 90 90 PRO HB3 H 2.288 0.005 2 942 90 90 PRO HD2 H 3.793 0.006 2 943 90 90 PRO HD3 H 3.914 0.006 2 944 90 90 PRO C C 177.614 0.100 1 945 90 90 PRO CA C 66.376 0.139 1 946 90 90 PRO CB C 32.540 0.100 1 947 90 90 PRO CD C 50.529 0.035 1 948 91 91 ASN H H 9.227 0.003 1 949 91 91 ASN HA H 4.771 0.004 1 950 91 91 ASN HB2 H 2.669 0.005 1 951 91 91 ASN HB3 H 3.045 0.004 1 952 91 91 ASN HD21 H 6.225 0.004 2 953 91 91 ASN HD22 H 7.038 0.003 2 954 91 91 ASN C C 174.942 0.100 1 955 91 91 ASN CA C 52.346 0.054 1 956 91 91 ASN CB C 37.916 0.034 1 957 91 91 ASN N N 112.190 0.039 1 958 91 91 ASN ND2 N 106.737 0.059 1 959 92 92 GLY H H 7.955 0.003 1 960 92 92 GLY HA2 H 4.458 0.009 2 961 92 92 GLY HA3 H 3.070 0.013 2 962 92 92 GLY C C 170.710 0.100 1 963 92 92 GLY CA C 43.395 0.070 1 964 92 92 GLY N N 108.202 0.043 1 965 93 93 LEU H H 8.674 0.003 1 966 93 93 LEU HA H 4.483 0.006 1 967 93 93 LEU HB2 H 1.298 0.008 1 968 93 93 LEU HB3 H 0.710 0.007 1 969 93 93 LEU HG H 0.925 0.007 1 970 93 93 LEU HD1 H -0.097 0.008 1 971 93 93 LEU HD2 H 0.253 0.005 1 972 93 93 LEU C C 172.990 0.100 1 973 93 93 LEU CA C 54.166 0.101 1 974 93 93 LEU CB C 47.819 0.077 1 975 93 93 LEU CG C 26.879 0.060 1 976 93 93 LEU CD1 C 24.947 0.043 1 977 93 93 LEU CD2 C 22.780 0.069 1 978 93 93 LEU N N 116.921 0.043 1 979 94 94 VAL H H 8.212 0.004 1 980 94 94 VAL HA H 4.252 0.010 1 981 94 94 VAL HB H 0.673 0.007 1 982 94 94 VAL HG1 H 0.414 0.004 2 983 94 94 VAL HG2 H 0.420 0.004 2 984 94 94 VAL C C 173.736 0.100 1 985 94 94 VAL CA C 60.871 0.030 1 986 94 94 VAL CB C 32.758 0.077 1 987 94 94 VAL CG1 C 23.224 0.059 2 988 94 94 VAL CG2 C 21.349 0.034 2 989 94 94 VAL N N 125.788 0.025 1 990 95 95 VAL H H 8.874 0.005 1 991 95 95 VAL HA H 4.781 0.010 1 992 95 95 VAL HB H 1.901 0.006 1 993 95 95 VAL HG1 H 0.924 0.004 1 994 95 95 VAL HG2 H 0.578 0.007 1 995 95 95 VAL C C 173.339 0.100 1 996 95 95 VAL CA C 60.693 0.092 1 997 95 95 VAL CB C 35.659 0.056 1 998 95 95 VAL CG1 C 22.882 0.046 1 999 95 95 VAL CG2 C 20.959 0.046 1 1000 95 95 VAL N N 125.167 0.057 1 1001 96 96 TYR H H 8.736 0.003 1 1002 96 96 TYR HA H 5.465 0.006 1 1003 96 96 TYR HB2 H 1.743 0.016 1 1004 96 96 TYR HB3 H 2.037 0.007 1 1005 96 96 TYR HD1 H 6.888 0.013 3 1006 96 96 TYR HD2 H 6.888 0.013 3 1007 96 96 TYR HE1 H 6.582 0.004 3 1008 96 96 TYR HE2 H 6.582 0.004 3 1009 96 96 TYR C C 175.694 0.100 1 1010 96 96 TYR CA C 56.672 0.059 1 1011 96 96 TYR CB C 40.997 0.157 1 1012 96 96 TYR N N 123.256 0.042 1 1013 97 97 CYS H H 8.710 0.005 1 1014 97 97 CYS HA H 5.723 0.008 1 1015 97 97 CYS HB2 H 2.862 0.012 2 1016 97 97 CYS HB3 H 2.782 0.010 2 1017 97 97 CYS C C 173.635 0.100 1 1018 97 97 CYS CA C 56.800 0.073 1 1019 97 97 CYS CB C 32.574 0.071 1 1020 97 97 CYS N N 119.230 0.023 1 1021 98 98 GLY H H 8.949 0.003 1 1022 98 98 GLY HA2 H 4.471 0.011 2 1023 98 98 GLY HA3 H 4.557 0.014 2 1024 98 98 GLY C C 171.344 0.100 1 1025 98 98 GLY CA C 46.370 0.027 1 1026 98 98 GLY N N 111.517 0.045 1 1027 99 99 THR H H 8.032 0.003 1 1028 99 99 THR HA H 4.962 0.006 1 1029 99 99 THR HB H 3.911 0.010 1 1030 99 99 THR HG2 H 1.080 0.006 1 1031 99 99 THR C C 173.271 0.100 1 1032 99 99 THR CA C 62.512 0.103 1 1033 99 99 THR CB C 70.307 0.141 1 1034 99 99 THR CG2 C 22.129 0.094 1 1035 99 99 THR N N 118.145 0.027 1 1036 100 100 ILE H H 8.993 0.004 1 1037 100 100 ILE HA H 4.655 0.011 1 1038 100 100 ILE HB H 1.950 0.011 1 1039 100 100 ILE HG12 H 1.275 0.008 2 1040 100 100 ILE HG13 H 1.275 0.008 2 1041 100 100 ILE HG2 H 0.724 0.006 1 1042 100 100 ILE HD1 H 0.755 0.004 1 1043 100 100 ILE C C 174.513 0.100 1 1044 100 100 ILE CA C 59.247 0.055 1 1045 100 100 ILE CB C 40.846 0.063 1 1046 100 100 ILE CG2 C 18.537 0.054 1 1047 100 100 ILE CD1 C 14.457 0.112 1 1048 100 100 ILE N N 122.297 0.036 1 1049 101 101 VAL H H 8.436 0.003 1 1050 101 101 VAL HA H 4.802 0.004 1 1051 101 101 VAL HB H 1.754 0.004 1 1052 101 101 VAL HG1 H 0.832 0.005 2 1053 101 101 VAL HG2 H 0.792 0.008 2 1054 101 101 VAL C C 177.410 0.100 1 1055 101 101 VAL CA C 60.992 0.091 1 1056 101 101 VAL CB C 33.386 0.052 1 1057 101 101 VAL CG1 C 21.250 0.091 2 1058 101 101 VAL CG2 C 21.345 0.042 2 1059 101 101 VAL N N 120.403 0.031 1 1060 102 102 THR H H 8.983 0.003 1 1061 102 102 THR HA H 4.499 0.007 1 1062 102 102 THR HB H 4.674 0.011 1 1063 102 102 THR HG2 H 1.189 0.008 1 1064 102 102 THR C C 176.695 0.100 1 1065 102 102 THR CA C 61.023 0.084 1 1066 102 102 THR CB C 71.707 0.098 1 1067 102 102 THR CG2 C 21.965 0.012 1 1068 102 102 THR N N 118.137 0.034 1 1069 103 103 GLU H H 9.388 0.010 1 1070 103 103 GLU HA H 4.086 0.004 1 1071 103 103 GLU HB2 H 2.055 0.003 2 1072 103 103 GLU HB3 H 2.055 0.003 2 1073 103 103 GLU HG2 H 2.339 0.030 2 1074 103 103 GLU HG3 H 2.339 0.030 2 1075 103 103 GLU C C 177.231 0.100 1 1076 103 103 GLU CA C 59.338 0.061 1 1077 103 103 GLU CB C 29.293 0.033 1 1078 103 103 GLU N N 121.413 0.089 1 1079 104 104 GLU H H 7.868 0.004 1 1080 104 104 GLU HA H 4.323 0.004 1 1081 104 104 GLU HB2 H 2.128 0.008 1 1082 104 104 GLU HB3 H 1.845 0.008 1 1083 104 104 GLU HG2 H 2.223 0.010 2 1084 104 104 GLU HG3 H 2.223 0.010 2 1085 104 104 GLU C C 176.539 0.100 1 1086 104 104 GLU CA C 56.639 0.057 1 1087 104 104 GLU CB C 30.107 0.052 1 1088 104 104 GLU N N 115.523 0.048 1 1089 105 105 GLY H H 8.187 0.003 1 1090 105 105 GLY HA2 H 3.514 0.007 2 1091 105 105 GLY HA3 H 4.113 0.008 2 1092 105 105 GLY C C 174.248 0.100 1 1093 105 105 GLY CA C 45.519 0.186 1 1094 105 105 GLY N N 108.488 0.038 1 1095 106 106 LYS H H 7.071 0.003 1 1096 106 106 LYS HA H 4.470 0.003 1 1097 106 106 LYS HB2 H 1.812 0.009 1 1098 106 106 LYS HB3 H 1.631 0.010 1 1099 106 106 LYS HG2 H 1.274 0.004 2 1100 106 106 LYS HG3 H 1.274 0.004 2 1101 106 106 LYS HD2 H 1.621 0.050 2 1102 106 106 LYS HD3 H 1.621 0.050 2 1103 106 106 LYS HE2 H 2.906 0.050 2 1104 106 106 LYS HE3 H 2.906 0.050 2 1105 106 106 LYS C C 175.257 0.100 1 1106 106 106 LYS CA C 54.929 0.055 1 1107 106 106 LYS CB C 33.851 0.058 1 1108 106 106 LYS N N 119.060 0.036 1 1109 107 107 GLU H H 8.479 0.003 1 1110 107 107 GLU HA H 5.126 0.005 1 1111 107 107 GLU HB2 H 1.762 0.008 1 1112 107 107 GLU HB3 H 1.877 0.009 1 1113 107 107 GLU HG2 H 1.986 0.007 2 1114 107 107 GLU HG3 H 2.271 0.003 2 1115 107 107 GLU C C 176.925 0.100 1 1116 107 107 GLU CA C 55.906 0.072 1 1117 107 107 GLU CB C 31.931 0.094 1 1118 107 107 GLU N N 121.186 0.021 1 1119 108 108 LYS H H 9.036 0.003 1 1120 108 108 LYS HA H 4.592 0.005 1 1121 108 108 LYS HB2 H 1.618 0.015 1 1122 108 108 LYS HB3 H 1.521 0.002 1 1123 108 108 LYS HG2 H 1.204 0.002 2 1124 108 108 LYS HG3 H 1.302 0.003 2 1125 108 108 LYS HE2 H 2.871 0.018 2 1126 108 108 LYS HE3 H 2.871 0.018 2 1127 108 108 LYS C C 174.281 0.100 1 1128 108 108 LYS CA C 55.416 0.035 1 1129 108 108 LYS CB C 36.427 0.055 1 1130 108 108 LYS N N 124.475 0.028 1 1131 109 109 LYS H H 8.688 0.002 1 1132 109 109 LYS HA H 4.825 0.009 1 1133 109 109 LYS HB2 H 1.773 0.005 2 1134 109 109 LYS HB3 H 1.819 0.007 2 1135 109 109 LYS HG2 H 1.442 0.008 2 1136 109 109 LYS HG3 H 1.442 0.008 2 1137 109 109 LYS HD2 H 1.641 0.006 2 1138 109 109 LYS HD3 H 1.641 0.006 2 1139 109 109 LYS HE2 H 2.921 0.003 2 1140 109 109 LYS HE3 H 2.921 0.003 2 1141 109 109 LYS C C 176.453 0.100 1 1142 109 109 LYS CA C 56.238 0.105 1 1143 109 109 LYS CB C 33.363 0.102 1 1144 109 109 LYS N N 124.525 0.032 1 1145 110 110 VAL H H 8.943 0.004 1 1146 110 110 VAL HA H 4.258 0.004 1 1147 110 110 VAL HB H 1.994 0.006 1 1148 110 110 VAL HG1 H 0.786 0.007 1 1149 110 110 VAL HG2 H 0.904 0.006 1 1150 110 110 VAL C C 174.997 0.100 1 1151 110 110 VAL CA C 61.759 0.083 1 1152 110 110 VAL CB C 34.764 0.058 1 1153 110 110 VAL CG1 C 21.197 0.038 1 1154 110 110 VAL CG2 C 21.517 0.049 1 1155 110 110 VAL N N 124.370 0.030 1 1156 111 111 ASN H H 8.870 0.005 1 1157 111 111 ASN HA H 5.456 0.007 1 1158 111 111 ASN HB2 H 2.585 0.012 2 1159 111 111 ASN HB3 H 2.668 0.005 2 1160 111 111 ASN HD21 H 7.666 0.003 2 1161 111 111 ASN HD22 H 6.477 0.002 2 1162 111 111 ASN C C 173.098 0.100 1 1163 111 111 ASN CA C 53.621 0.061 1 1164 111 111 ASN CB C 41.171 0.061 1 1165 111 111 ASN N N 125.928 0.125 1 1166 111 111 ASN ND2 N 111.371 0.050 1 1167 112 112 ILE H H 9.049 0.002 1 1168 112 112 ILE HA H 4.517 0.010 1 1169 112 112 ILE HB H 1.992 0.008 1 1170 112 112 ILE HG12 H 1.183 0.004 2 1171 112 112 ILE HG13 H 1.503 0.006 2 1172 112 112 ILE HG2 H 1.070 0.005 1 1173 112 112 ILE HD1 H 0.763 0.008 1 1174 112 112 ILE C C 173.286 0.100 1 1175 112 112 ILE CA C 60.520 0.032 1 1176 112 112 ILE CB C 41.928 0.044 1 1177 112 112 ILE CG1 C 27.741 0.080 1 1178 112 112 ILE CG2 C 17.999 0.056 1 1179 112 112 ILE CD1 C 14.186 0.112 1 1180 112 112 ILE N N 125.527 0.052 1 1181 113 113 ASP H H 8.185 0.003 1 1182 113 113 ASP HA H 5.887 0.007 1 1183 113 113 ASP HB2 H 2.572 0.007 1 1184 113 113 ASP HB3 H 2.303 0.005 1 1185 113 113 ASP C C 174.379 0.100 1 1186 113 113 ASP CA C 52.595 0.053 1 1187 113 113 ASP CB C 44.389 0.102 1 1188 113 113 ASP N N 122.103 0.034 1 1189 114 114 PHE H H 8.759 0.003 1 1190 114 114 PHE HA H 4.841 0.007 1 1191 114 114 PHE HB2 H 3.374 0.006 1 1192 114 114 PHE HB3 H 2.906 0.008 1 1193 114 114 PHE HD1 H 6.804 0.011 3 1194 114 114 PHE HD2 H 6.804 0.011 3 1195 114 114 PHE HE1 H 6.967 0.011 3 1196 114 114 PHE HE2 H 6.967 0.011 3 1197 114 114 PHE HZ H 6.983 0.012 1 1198 114 114 PHE C C 171.887 0.100 1 1199 114 114 PHE CA C 56.946 0.046 1 1200 114 114 PHE CB C 40.250 0.027 1 1201 114 114 PHE N N 115.681 0.047 1 1202 115 115 GLU H H 8.682 0.003 1 1203 115 115 GLU HA H 4.979 0.009 1 1204 115 115 GLU HB2 H 1.784 0.011 2 1205 115 115 GLU HB3 H 1.784 0.011 2 1206 115 115 GLU HG2 H 2.137 0.011 2 1207 115 115 GLU HG3 H 2.137 0.011 2 1208 115 115 GLU CA C 52.001 0.051 1 1209 115 115 GLU CB C 31.880 0.009 1 1210 115 115 GLU N N 123.969 0.035 1 1211 116 116 PRO HA H 4.682 0.009 1 1212 116 116 PRO HB2 H 1.932 0.006 1 1213 116 116 PRO HB3 H 2.377 0.008 1 1214 116 116 PRO HG2 H 2.086 0.010 2 1215 116 116 PRO HD2 H 3.342 0.010 2 1216 116 116 PRO HD3 H 3.342 0.010 2 1217 116 116 PRO C C 176.168 0.100 1 1218 116 116 PRO CA C 62.864 0.058 1 1219 116 116 PRO CB C 32.950 0.086 1 1220 116 116 PRO CD C 50.343 0.018 1 1221 117 117 PHE H H 7.708 0.006 1 1222 117 117 PHE HA H 4.347 0.007 1 1223 117 117 PHE HB2 H 3.029 0.010 1 1224 117 117 PHE HB3 H 3.308 0.005 1 1225 117 117 PHE HD1 H 7.206 0.009 3 1226 117 117 PHE HD2 H 7.206 0.009 3 1227 117 117 PHE HE1 H 7.196 0.001 3 1228 117 117 PHE HE2 H 7.196 0.001 3 1229 117 117 PHE C C 173.840 0.100 1 1230 117 117 PHE CA C 58.929 0.086 1 1231 117 117 PHE CB C 39.085 0.048 1 1232 117 117 PHE N N 115.810 0.043 1 1233 118 118 LYS H H 7.026 0.004 1 1234 118 118 LYS HA H 4.367 0.004 1 1235 118 118 LYS HB2 H 1.544 0.007 1 1236 118 118 LYS HB3 H 1.244 0.002 1 1237 118 118 LYS HE2 H 2.867 0.008 2 1238 118 118 LYS HE3 H 2.867 0.008 2 1239 118 118 LYS CA C 53.006 0.029 1 1240 118 118 LYS CB C 34.393 0.031 1 1241 118 118 LYS N N 118.362 0.046 1 1242 119 119 PRO HA H 4.552 0.005 1 1243 119 119 PRO HB2 H 1.694 0.006 2 1244 119 119 PRO HB3 H 2.027 0.014 2 1245 119 119 PRO HD2 H 3.425 0.005 2 1246 119 119 PRO HD3 H 3.425 0.005 2 1247 119 119 PRO C C 176.602 0.100 1 1248 119 119 PRO CA C 63.272 0.046 1 1249 119 119 PRO CB C 32.409 0.030 1 1250 119 119 PRO CD C 50.150 0.044 1 1251 120 120 ILE H H 7.662 0.004 1 1252 120 120 ILE HA H 4.183 0.005 1 1253 120 120 ILE HB H 1.587 0.005 1 1254 120 120 ILE HG12 H 1.530 0.013 2 1255 120 120 ILE HG13 H 1.061 0.006 2 1256 120 120 ILE HG2 H 0.924 0.003 1 1257 120 120 ILE HD1 H 0.702 0.005 1 1258 120 120 ILE C C 174.542 0.100 1 1259 120 120 ILE CA C 60.195 0.058 1 1260 120 120 ILE CB C 40.349 0.103 1 1261 120 120 ILE CG2 C 18.102 0.076 1 1262 120 120 ILE CD1 C 14.588 0.065 1 1263 120 120 ILE N N 121.795 0.039 1 1264 121 121 ASN H H 8.252 0.003 1 1265 121 121 ASN HA H 4.821 0.008 1 1266 121 121 ASN HB2 H 2.788 0.006 1 1267 121 121 ASN HB3 H 2.529 0.004 1 1268 121 121 ASN HD21 H 7.447 0.003 2 1269 121 121 ASN HD22 H 6.673 0.002 2 1270 121 121 ASN C C 174.708 0.100 1 1271 121 121 ASN CA C 53.351 0.094 1 1272 121 121 ASN CB C 39.470 0.113 1 1273 121 121 ASN N N 121.422 0.040 1 1274 121 121 ASN ND2 N 112.339 0.047 1 1275 122 122 THR H H 7.065 0.003 1 1276 122 122 THR HA H 4.311 0.008 1 1277 122 122 THR HB H 3.797 0.009 1 1278 122 122 THR HG2 H 1.007 0.007 1 1279 122 122 THR C C 170.769 0.100 1 1280 122 122 THR CA C 61.132 0.054 1 1281 122 122 THR CB C 70.835 0.092 1 1282 122 122 THR CG2 C 21.143 0.066 1 1283 122 122 THR N N 114.573 0.048 1 1284 123 123 SER H H 7.883 0.004 1 1285 123 123 SER HA H 4.642 0.013 1 1286 123 123 SER HB2 H 3.665 0.004 2 1287 123 123 SER HB3 H 3.665 0.004 2 1288 123 123 SER C C 173.659 0.100 1 1289 123 123 SER CA C 56.718 0.091 1 1290 123 123 SER CB C 64.777 0.060 1 1291 123 123 SER N N 115.764 0.043 1 1292 124 124 LEU H H 8.506 0.004 1 1293 124 124 LEU HA H 4.575 0.007 1 1294 124 124 LEU HB2 H 1.460 0.011 1 1295 124 124 LEU HB3 H 1.351 0.009 1 1296 124 124 LEU HG H 1.746 0.005 1 1297 124 124 LEU HD1 H 0.703 0.010 2 1298 124 124 LEU HD2 H 0.791 0.005 2 1299 124 124 LEU C C 174.622 0.100 1 1300 124 124 LEU CA C 55.342 0.055 1 1301 124 124 LEU CB C 47.204 0.048 1 1302 124 124 LEU CD1 C 26.257 0.047 2 1303 124 124 LEU CD2 C 23.737 0.096 2 1304 124 124 LEU N N 126.453 0.035 1 1305 125 125 TYR H H 8.291 0.002 1 1306 125 125 TYR HA H 5.157 0.005 1 1307 125 125 TYR HB2 H 2.674 0.005 1 1308 125 125 TYR HB3 H 2.998 0.008 1 1309 125 125 TYR HD1 H 6.876 0.011 3 1310 125 125 TYR HD2 H 6.876 0.011 3 1311 125 125 TYR HE1 H 6.547 0.007 3 1312 125 125 TYR HE2 H 6.547 0.007 3 1313 125 125 TYR C C 173.506 0.100 1 1314 125 125 TYR CA C 58.678 0.063 1 1315 125 125 TYR CB C 40.583 0.114 1 1316 125 125 TYR N N 125.550 0.033 1 1317 126 126 LEU H H 8.240 0.005 1 1318 126 126 LEU HA H 4.195 0.011 1 1319 126 126 LEU HB2 H 1.313 0.014 1 1320 126 126 LEU HB3 H 1.246 0.015 1 1321 126 126 LEU HG H 1.291 0.004 1 1322 126 126 LEU HD1 H 0.420 0.010 1 1323 126 126 LEU HD2 H 0.724 0.006 1 1324 126 126 LEU C C 173.695 0.100 1 1325 126 126 LEU CA C 54.264 0.057 1 1326 126 126 LEU CB C 47.535 0.074 1 1327 126 126 LEU CD1 C 24.442 0.019 1 1328 126 126 LEU CD2 C 24.180 0.064 1 1329 126 126 LEU N N 128.108 0.051 1 1330 127 127 CYS H H 8.402 0.003 1 1331 127 127 CYS HA H 5.047 0.006 1 1332 127 127 CYS HB2 H 2.477 0.007 1 1333 127 127 CYS HB3 H 2.784 0.008 1 1334 127 127 CYS C C 173.508 0.100 1 1335 127 127 CYS CA C 57.448 0.079 1 1336 127 127 CYS CB C 27.026 0.148 1 1337 127 127 CYS N N 124.036 0.028 1 1338 128 128 ASP H H 9.313 0.005 1 1339 128 128 ASP HA H 5.058 0.007 1 1340 128 128 ASP HB2 H 2.638 0.011 1 1341 128 128 ASP HB3 H 3.252 0.020 1 1342 128 128 ASP C C 174.016 0.100 1 1343 128 128 ASP CA C 52.923 0.075 1 1344 128 128 ASP CB C 45.376 0.073 1 1345 128 128 ASP N N 127.604 0.038 1 1346 129 129 ASN H H 9.437 0.005 1 1347 129 129 ASN HA H 4.806 0.008 1 1348 129 129 ASN HB2 H 3.029 0.008 1 1349 129 129 ASN HB3 H 2.526 0.006 1 1350 129 129 ASN HD21 H 7.474 0.002 2 1351 129 129 ASN HD22 H 6.629 0.003 2 1352 129 129 ASN C C 173.229 0.100 1 1353 129 129 ASN CA C 53.169 0.081 1 1354 129 129 ASN CB C 38.674 0.048 1 1355 129 129 ASN N N 119.152 0.040 1 1356 129 129 ASN ND2 N 109.868 0.032 1 1357 130 130 LYS H H 7.197 0.003 1 1358 130 130 LYS HA H 4.270 0.005 1 1359 130 130 LYS HB2 H 1.628 0.003 1 1360 130 130 LYS HB3 H 1.757 0.021 1 1361 130 130 LYS C C 175.211 0.100 1 1362 130 130 LYS CA C 54.533 0.067 1 1363 130 130 LYS CB C 34.492 0.018 1 1364 130 130 LYS N N 113.353 0.031 1 1365 131 131 PHE H H 9.513 0.006 1 1366 131 131 PHE HA H 4.686 0.013 1 1367 131 131 PHE HB2 H 2.673 0.006 1 1368 131 131 PHE HB3 H 2.394 0.009 1 1369 131 131 PHE HD1 H 7.333 0.008 3 1370 131 131 PHE HD2 H 7.333 0.008 3 1371 131 131 PHE HE1 H 7.094 0.007 3 1372 131 131 PHE HE2 H 7.094 0.007 3 1373 131 131 PHE HZ H 6.690 0.005 1 1374 131 131 PHE C C 174.919 0.100 1 1375 131 131 PHE CA C 57.121 0.088 1 1376 131 131 PHE CB C 39.815 0.048 1 1377 131 131 PHE N N 120.593 0.041 1 1378 132 132 HIS H H 8.991 0.006 1 1379 132 132 HIS HA H 4.766 0.005 1 1380 132 132 HIS HB2 H 3.555 0.040 1 1381 132 132 HIS HB3 H 2.880 0.005 1 1382 132 132 HIS HD2 H 7.164 0.016 1 1383 132 132 HIS C C 176.356 0.100 1 1384 132 132 HIS CA C 56.999 0.100 1 1385 132 132 HIS CB C 30.517 0.043 1 1386 132 132 HIS N N 121.459 0.033 1 1387 133 133 THR H H 8.742 0.004 1 1388 133 133 THR HA H 4.380 0.008 1 1389 133 133 THR HB H 4.477 0.011 1 1390 133 133 THR HG2 H 0.818 0.016 1 1391 133 133 THR C C 175.621 0.100 1 1392 133 133 THR CA C 62.055 0.073 1 1393 133 133 THR CB C 69.418 0.066 1 1394 133 133 THR N N 116.721 0.062 1 1395 134 134 GLU H H 9.788 0.009 1 1396 134 134 GLU HA H 4.049 0.007 1 1397 134 134 GLU HB2 H 2.060 0.007 2 1398 134 134 GLU HB3 H 2.060 0.007 2 1399 134 134 GLU HG2 H 2.420 0.010 2 1400 134 134 GLU HG3 H 2.420 0.010 2 1401 134 134 GLU C C 178.915 0.100 1 1402 134 134 GLU CA C 61.078 0.031 1 1403 134 134 GLU CB C 28.588 0.100 1 1404 134 134 GLU N N 127.904 0.041 1 1405 135 135 ALA H H 9.046 0.005 1 1406 135 135 ALA HA H 4.179 0.010 1 1407 135 135 ALA HB H 1.350 0.006 1 1408 135 135 ALA C C 180.064 0.100 1 1409 135 135 ALA CA C 54.811 0.073 1 1410 135 135 ALA CB C 19.016 0.045 1 1411 135 135 ALA N N 121.101 0.050 1 1412 136 136 LEU H H 7.659 0.004 1 1413 136 136 LEU HA H 4.198 0.011 1 1414 136 136 LEU HB2 H 1.482 0.010 1 1415 136 136 LEU HB3 H 2.052 0.003 1 1416 136 136 LEU HG H 1.838 0.006 1 1417 136 136 LEU HD1 H 1.068 0.007 2 1418 136 136 LEU HD2 H 0.955 0.006 2 1419 136 136 LEU C C 178.410 0.100 1 1420 136 136 LEU CA C 56.756 0.023 1 1421 136 136 LEU CB C 41.969 0.045 1 1422 136 136 LEU CD1 C 26.648 0.061 2 1423 136 136 LEU CD2 C 23.004 0.051 2 1424 136 136 LEU N N 115.943 0.031 1 1425 137 137 THR H H 7.999 0.004 1 1426 137 137 THR HA H 3.742 0.008 1 1427 137 137 THR HB H 4.183 0.007 1 1428 137 137 THR HG2 H 1.196 0.004 1 1429 137 137 THR C C 177.170 0.100 1 1430 137 137 THR CA C 67.023 0.110 1 1431 137 137 THR CB C 68.608 0.179 1 1432 137 137 THR CG2 C 22.335 0.111 1 1433 137 137 THR N N 116.620 0.074 1 1434 138 138 ALA H H 7.949 0.002 1 1435 138 138 ALA HA H 4.146 0.009 1 1436 138 138 ALA HB H 1.435 0.005 1 1437 138 138 ALA C C 179.680 0.100 1 1438 138 138 ALA CA C 55.196 0.078 1 1439 138 138 ALA CB C 18.335 0.044 1 1440 138 138 ALA N N 123.900 0.040 1 1441 139 139 LEU H H 7.483 0.002 1 1442 139 139 LEU HA H 4.140 0.010 1 1443 139 139 LEU HB2 H 1.817 0.004 2 1444 139 139 LEU HB3 H 1.905 0.009 2 1445 139 139 LEU HG H 1.747 0.012 1 1446 139 139 LEU HD1 H 0.847 0.008 2 1447 139 139 LEU HD2 H 0.721 0.006 2 1448 139 139 LEU C C 178.274 0.100 1 1449 139 139 LEU CA C 57.648 0.107 1 1450 139 139 LEU CB C 42.361 0.074 1 1451 139 139 LEU CD2 C 24.606 0.122 2 1452 139 139 LEU N N 118.721 0.044 1 1453 140 140 LEU H H 7.789 0.003 1 1454 140 140 LEU HA H 4.150 0.007 1 1455 140 140 LEU HB2 H 1.696 0.005 1 1456 140 140 LEU HB3 H 1.827 0.007 1 1457 140 140 LEU HD1 H 0.848 0.006 2 1458 140 140 LEU HD2 H 0.848 0.006 2 1459 140 140 LEU C C 178.248 0.100 1 1460 140 140 LEU CA C 56.830 0.042 1 1461 140 140 LEU CB C 41.926 0.155 1 1462 140 140 LEU CD1 C 25.608 0.100 2 1463 140 140 LEU CD2 C 25.331 0.100 2 1464 140 140 LEU N N 116.629 0.050 1 1465 141 141 SER H H 7.845 0.003 1 1466 141 141 SER HA H 4.291 0.010 1 1467 141 141 SER HB2 H 3.929 0.006 2 1468 141 141 SER HB3 H 3.929 0.006 2 1469 141 141 SER C C 175.698 0.100 1 1470 141 141 SER CA C 60.753 0.032 1 1471 141 141 SER CB C 63.441 0.231 1 1472 141 141 SER N N 114.250 0.039 1 1473 142 142 ASP H H 8.048 0.005 1 1474 142 142 ASP HA H 4.553 0.004 1 1475 142 142 ASP HB2 H 2.743 0.006 2 1476 142 142 ASP HB3 H 2.743 0.006 2 1477 142 142 ASP C C 177.373 0.100 1 1478 142 142 ASP CA C 56.032 0.012 1 1479 142 142 ASP CB C 41.264 0.010 1 1480 142 142 ASP N N 121.240 0.024 1 1481 143 143 LEU H H 7.959 0.003 1 1482 143 143 LEU HA H 4.174 0.007 1 1483 143 143 LEU HB2 H 1.494 0.002 2 1484 143 143 LEU HB3 H 1.764 0.006 2 1485 143 143 LEU C C 178.177 0.100 1 1486 143 143 LEU CA C 56.528 0.100 1 1487 143 143 LEU CB C 42.652 0.037 1 1488 143 143 LEU N N 119.913 0.051 1 1489 144 144 GLU H H 8.185 0.003 1 1490 144 144 GLU HA H 4.086 0.006 1 1491 144 144 GLU HB2 H 1.877 0.001 2 1492 144 144 GLU HB3 H 1.877 0.001 2 1493 144 144 GLU C C 176.693 0.100 1 1494 144 144 GLU CA C 57.753 0.100 1 1495 144 144 GLU CB C 30.425 0.100 1 1496 144 144 GLU N N 118.710 0.032 1 1497 145 145 HIS H H 8.013 0.005 1 1498 145 145 HIS HA H 4.542 0.003 1 1499 145 145 HIS HB2 H 2.994 0.003 2 1500 145 145 HIS HB3 H 3.061 0.050 2 1501 145 145 HIS C C 173.976 0.100 1 1502 145 145 HIS CA C 56.467 0.196 1 1503 145 145 HIS CB C 30.580 0.119 1 1504 145 145 HIS N N 118.379 0.027 1 1505 146 146 HIS H H 7.970 0.002 1 1506 146 146 HIS HA H 4.356 0.050 1 1507 146 146 HIS HB2 H 3.088 0.050 2 1508 146 146 HIS HB3 H 3.088 0.050 2 1509 146 146 HIS CA C 57.632 0.100 1 1510 146 146 HIS CB C 30.819 0.100 1 1511 146 146 HIS N N 125.471 0.027 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_15N_H2O stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Iz _T1_value_units s-1 _Mol_system_component_name NeRF1 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 ALA N 0.716 0.047 2 3 ASP N 1.121 0.040 3 6 SER N 1.578 0.056 4 8 ALA N 1.504 0.060 5 9 ASP N 1.466 0.052 6 10 ARG N 1.373 0.050 7 11 ASN N 1.441 0.085 8 12 VAL N 1.266 0.036 9 13 GLU N 1.159 0.024 10 16 LYS N 1.220 0.020 11 17 ILE N 1.046 0.030 12 18 LYS N 1.064 0.027 13 19 LYS N 1.073 0.018 14 20 LEU N 1.031 0.022 15 21 ILE N 0.985 0.019 16 22 LYS N 1.014 0.033 17 23 SER N 1.084 0.015 18 24 LEU N 1.047 0.026 19 25 GLU N 1.075 0.037 20 26 ALA N 1.238 0.038 21 27 ALA N 1.041 0.024 22 28 ARG N 1.162 0.027 23 29 GLY N 1.141 0.027 24 30 ASN N 1.239 0.053 25 31 GLY N 1.302 0.067 26 32 THR N 1.078 0.092 27 33 SER N 1.201 0.033 28 34 MET N 1.241 0.048 29 35 ILE N 1.184 0.057 30 36 SER N 1.080 0.052 31 37 LEU N 1.094 0.035 32 38 ILE N 1.053 0.056 33 39 ILE N 1.119 0.019 34 42 LYS N 1.203 0.030 35 43 ASP N 1.073 0.021 36 44 GLN N 1.021 0.018 37 45 ILE N 1.137 0.075 38 46 SER N 1.166 0.041 39 47 ARG N 1.022 0.032 40 48 VAL N 1.030 0.045 41 49 ALA N 1.059 0.015 42 50 LYS N 1.003 0.026 43 51 MET N 1.026 0.024 44 52 LEU N 1.070 0.028 45 53 ALA N 1.051 0.012 46 54 ASP N 0.946 0.019 47 55 GLU N 1.067 0.055 48 56 PHE N 1.150 0.036 49 57 GLY N 1.004 0.094 50 58 THR N 1.130 0.024 51 59 ALA N 1.236 0.027 52 60 SER N 1.259 0.037 53 61 ASN N 1.157 0.026 54 62 ILE N 1.252 0.050 55 63 LYS N 1.291 0.058 56 64 SER N 1.011 0.054 57 66 VAL N 1.246 0.044 58 67 ASN N 1.157 0.056 59 68 ARG N 1.271 0.057 60 69 LEU N 1.161 0.043 61 70 SER N 1.208 0.055 62 71 VAL N 1.177 0.028 63 72 LEU N 1.072 0.032 64 73 GLY N 1.147 0.103 65 74 ALA N 1.119 0.029 66 76 THR N 1.073 0.030 67 77 SER N 1.149 0.026 68 78 VAL N 1.146 0.034 69 80 GLN N 1.099 0.028 70 81 ARG N 1.103 0.017 71 82 LEU N 1.029 0.021 72 83 LYS N 1.098 0.017 73 84 LEU N 1.131 0.016 74 85 TYR N 1.007 0.017 75 87 LYS N 1.210 0.033 76 88 VAL N 1.167 0.023 77 91 ASN N 1.179 0.042 78 92 GLY N 1.157 0.020 79 93 LEU N 1.097 0.031 80 94 VAL N 1.135 0.025 81 95 VAL N 1.125 0.038 82 96 TYR N 1.199 0.049 83 97 CYS N 1.111 0.030 84 98 GLY N 1.139 0.034 85 99 THR N 1.202 0.020 86 100 ILE N 1.212 0.030 87 101 VAL N 1.162 0.030 88 102 THR N 1.182 0.020 89 104 GLU N 1.201 0.057 90 105 GLY N 1.159 0.026 91 106 LYS N 1.069 0.018 92 107 GLU N 1.116 0.025 93 108 LYS N 1.127 0.014 94 109 LYS N 1.179 0.032 95 110 VAL N 1.024 0.019 96 111 ASN N 1.279 0.141 97 112 ILE N 1.081 0.024 98 113 ASP N 1.038 0.058 99 114 PHE N 1.108 0.022 100 115 GLU N 1.197 0.037 101 117 PHE N 1.244 0.044 102 118 LYS N 1.091 0.020 103 120 ILE N 1.159 0.023 104 122 THR N 1.125 0.015 105 123 SER N 1.211 0.024 106 124 LEU N 1.189 0.018 107 125 TYR N 1.158 0.029 108 126 LEU N 1.085 0.029 109 127 CYS N 1.110 0.028 110 128 ASP N 1.154 0.036 111 129 ASN N 1.225 0.041 112 130 LYS N 1.179 0.023 113 131 PHE N 1.076 0.033 114 132 HIS N 1.168 0.052 115 134 GLU N 1.177 0.112 116 135 ALA N 1.188 0.065 117 136 LEU N 1.056 0.023 118 137 THR N 1.014 0.015 119 138 ALA N 1.076 0.020 120 139 LEU N 1.084 0.031 121 140 LEU N 1.082 0.020 122 141 SER N 1.165 0.025 123 143 LEU N 1.409 0.020 124 144 GLU N 1.459 0.033 125 145 HIS N 1.599 0.142 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_15N_H2O stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type I(+,-) _T2_value_units s-1 _Mol_system_component_name NeRF1 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 ALA N 1.911 0.180 0.000 0.000 2 3 ASP N 3.285 0.296 0.000 0.000 3 6 SER N 4.927 0.095 0.000 0.000 4 8 ALA N 6.731 0.131 0.000 0.000 5 9 ASP N 8.286 0.116 0.000 0.000 6 10 ARG N 10.661 0.134 0.000 0.000 7 11 ASN N 12.947 0.496 0.000 0.000 8 12 VAL N 13.448 0.200 0.000 0.000 9 13 GLU N 16.614 0.505 0.000 0.000 10 16 LYS N 13.342 0.286 0.000 0.000 11 17 ILE N 18.013 0.377 0.000 0.000 12 18 LYS N 17.245 0.283 0.000 0.000 13 19 LYS N 15.868 0.204 0.000 0.000 14 20 LEU N 15.874 0.427 0.000 0.000 15 21 ILE N 17.540 0.497 0.000 0.000 16 22 LYS N 16.967 0.537 0.000 0.000 17 23 SER N 15.169 0.281 0.000 0.000 18 24 LEU N 16.944 0.448 0.000 0.000 19 25 GLU N 17.668 0.509 0.000 0.000 20 26 ALA N 15.001 0.250 0.000 0.000 21 27 ALA N 14.296 0.251 0.000 0.000 22 28 ARG N 12.256 0.224 0.000 0.000 23 29 GLY N 12.793 0.322 0.000 0.000 24 30 ASN N 11.228 0.310 0.000 0.000 25 31 GLY N 9.465 0.488 0.000 0.000 26 32 THR N 18.464 0.812 0.000 0.000 27 33 SER N 11.583 0.308 0.000 0.000 28 34 MET N 15.681 0.533 0.000 0.000 29 35 ILE N 15.325 0.581 0.000 0.000 30 36 SER N 14.449 0.616 0.000 0.000 31 37 LEU N 14.558 0.358 0.000 0.000 32 38 ILE N 15.328 0.473 0.000 0.000 33 39 ILE N 14.377 0.424 0.000 0.000 34 42 LYS N 12.521 0.224 0.000 0.000 35 43 ASP N 13.912 0.386 0.000 0.000 36 44 GLN N 12.908 0.290 0.000 0.000 37 45 ILE N 18.250 0.785 1.632 0.303 38 46 SER N 16.987 0.465 0.000 0.000 39 47 ARG N 15.992 0.295 0.000 0.000 40 48 VAL N 16.630 0.312 0.000 0.000 41 49 ALA N 16.505 0.353 0.000 0.000 42 50 LYS N 17.516 0.375 0.000 0.000 43 51 MET N 16.298 0.365 0.000 0.000 44 52 LEU N 17.230 0.420 0.000 0.000 45 53 ALA N 15.864 0.262 0.000 0.000 46 54 ASP N 16.817 0.461 2.157 0.125 47 55 GLU N 23.342 2.258 6.377 0.687 48 56 PHE N 16.457 0.518 0.000 0.000 49 57 GLY N 20.079 3.090 4.842 1.269 50 58 THR N 16.208 0.270 0.000 0.000 51 59 ALA N 15.943 0.307 0.000 0.000 52 60 SER N 14.055 0.275 0.000 0.000 53 61 ASN N 16.135 0.359 0.000 0.000 54 62 ILE N 13.398 0.315 0.000 0.000 55 63 LYS N 17.055 1.465 1.517 0.752 56 64 SER N 12.444 0.531 0.000 0.000 57 66 VAL N 17.006 0.290 0.000 0.000 58 67 ASN N 17.975 0.846 2.416 0.306 59 68 ARG N 16.850 0.736 0.000 0.000 60 69 LEU N 15.901 0.165 0.000 0.000 61 70 SER N 15.273 0.437 0.000 0.000 62 71 VAL N 15.298 0.455 0.000 0.000 63 72 LEU N 16.954 0.481 0.000 0.000 64 73 GLY N 14.038 2.365 0.000 0.000 65 74 ALA N 15.289 0.481 0.000 0.000 66 76 THR N 15.622 0.387 0.000 0.000 67 77 SER N 15.058 0.377 0.000 0.000 68 78 VAL N 15.799 0.382 0.000 0.000 69 80 GLN N 14.533 0.407 0.000 0.000 70 81 ARG N 15.333 0.227 0.000 0.000 71 82 LEU N 15.898 0.323 0.000 0.000 72 83 LYS N 14.605 0.215 0.000 0.000 73 84 LEU N 14.395 0.285 0.000 0.000 74 85 TYR N 15.935 0.155 0.000 0.000 75 87 LYS N 13.393 0.201 0.000 0.000 76 88 VAL N 12.776 0.125 0.000 0.000 77 91 ASN N 13.078 0.380 0.000 0.000 78 92 GLY N 14.558 0.215 0.000 0.000 79 93 LEU N 15.212 0.415 0.000 0.000 80 94 VAL N 14.624 0.315 0.000 0.000 81 95 VAL N 14.404 0.602 0.000 0.000 82 96 TYR N 14.167 0.327 0.000 0.000 83 97 CYS N 15.629 0.420 0.000 0.000 84 98 GLY N 15.760 0.399 0.000 0.000 85 99 THR N 13.154 0.154 0.000 0.000 86 100 ILE N 14.004 0.304 0.000 0.000 87 101 VAL N 13.630 0.254 0.000 0.000 88 102 THR N 13.386 0.073 0.000 0.000 89 104 GLU N 13.155 0.189 0.000 0.000 90 105 GLY N 13.315 0.180 0.000 0.000 91 106 LYS N 12.917 0.171 0.000 0.000 92 107 GLU N 12.192 0.153 0.000 0.000 93 108 LYS N 12.405 0.304 0.000 0.000 94 109 LYS N 12.464 0.173 0.000 0.000 95 110 VAL N 14.860 0.465 0.000 0.000 96 111 ASN N 16.754 1.411 0.000 0.000 97 112 ILE N 13.752 0.371 0.000 0.000 98 113 ASP N 13.653 0.220 0.000 0.000 99 114 PHE N 15.041 0.262 0.000 0.000 100 115 GLU N 12.896 0.355 0.000 0.000 101 117 PHE N 14.973 0.418 0.000 0.000 102 118 LYS N 18.212 0.464 0.000 0.000 103 120 ILE N 13.834 0.398 0.000 0.000 104 122 THR N 9.301 0.090 0.000 0.000 105 123 SER N 10.635 0.122 0.000 0.000 106 124 LEU N 14.213 0.223 0.000 0.000 107 125 TYR N 13.000 0.291 0.000 0.000 108 126 LEU N 13.816 0.301 0.000 0.000 109 127 CYS N 13.300 0.320 0.000 0.000 110 128 ASP N 14.539 0.454 0.000 0.000 111 129 ASN N 14.817 0.727 0.000 0.000 112 130 LYS N 14.461 0.547 0.000 0.000 113 131 PHE N 14.663 0.564 0.000 0.000 114 132 HIS N 16.161 0.418 0.000 0.000 115 134 GLU N 22.376 1.447 4.455 0.640 116 135 ALA N 19.206 1.057 3.553 0.520 117 136 LEU N 15.727 0.246 0.000 0.000 118 137 THR N 15.724 0.354 0.000 0.000 119 138 ALA N 15.772 0.329 0.000 0.000 120 139 LEU N 16.851 0.327 0.000 0.000 121 140 LEU N 15.910 0.293 0.000 0.000 122 141 SER N 14.548 0.164 0.165 0.177 123 143 LEU N 11.472 0.105 0.000 0.000 124 144 GLU N 11.423 0.186 0.000 0.000 125 145 HIS N 10.727 0.618 0.000 0.000 stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '15N{1H} NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name NeRF1 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak integral' _NOE_reference_value 1.000 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 6 SER -0.012 0.222 8 ALA 0.188 0.014 9 ASP 0.323 0.017 10 ARG 0.444 0.036 11 ASN 0.531 0.031 12 VAL 0.596 0.04 13 GLU 0.689 0.092 16 LYS 0.556 0.021 17 ILE 0.818 0.053 18 LYS 0.727 0.04 19 LYS 0.781 0.036 20 LEU 0.732 0.037 21 ILE 0.79 0.059 22 LYS 0.791 0.049 23 SER 0.773 0.038 24 LEU 0.645 0.05 25 GLU 0.804 0.064 26 ALA 0.72 0.038 27 ALA 0.703 0.035 28 ARG 0.652 0.049 29 GLY 0.71 0.046 30 ASN 0.60 0.063 31 GLY 0.396 0.052 32 THR 0.578 0.115 33 SER 0.618 0.046 34 MET 0.821 0.056 35 ILE 0.788 0.068 36 SER 0.808 0.082 37 LEU 0.749 0.058 38 ILE 0.782 0.069 39 ILE 0.846 0.061 42 LYS 0.724 0.056 43 ASP 0.80 0.039 44 GLN 0.714 0.035 45 ILE 0.777 0.074 46 SER 0.791 0.04 47 ARG 0.809 0.048 48 VAL 0.776 0.049 49 ALA 0.764 0.034 50 LYS 0.788 0.038 51 MET 0.767 0.047 52 LEU 0.865 0.051 53 ALA 0.802 0.035 54 ASP 0.824 0.041 55 GLU 0.797 0.097 56 PHE 0.782 0.048 57 GLY 0.767 0.113 58 THR 0.72 0.033 59 ALA 0.709 0.033 60 SER 0.732 0.028 61 ASN 0.658 0.038 62 ILE 0.633 0.037 63 LYS 0.708 0.081 64 SER 0.575 0.057 66 VAL 0.663 0.038 67 ASN 0.755 0.087 68 ARG 0.735 0.049 69 LEU 0.696 0.044 70 SER 0.771 0.05 71 VAL 0.772 0.044 72 LEU 0.863 0.062 73 GLY 0.848 0.217 74 ALA 0.841 0.042 76 THR 0.829 0.04 77 SER 0.835 0.04 78 VAL 0.742 0.044 80 GLN 0.82 0.04 81 ARG 0.746 0.043 82 LEU 0.767 0.04 83 LYS 0.822 0.036 84 LEU 0.741 0.038 85 TYR 0.756 0.04 87 LYS 0.687 0.028 88 VAL 0.716 0.028 91 ASN 0.74 0.045 92 GLY 0.825 0.038 93 LEU 0.81 0.054 94 VAL 0.742 0.053 95 VAL 0.828 0.065 96 TYR 0.81 0.064 97 CYS 0.799 0.069 98 GLY 0.862 0.05 99 THR 0.631 0.072 100 ILE 0.669 0.05 101 VAL 0.714 0.047 102 THR 0.616 0.029 104 GLU 0.481 0.04 105 GLY 0.55 0.024 106 LYS 0.484 0.027 107 GLU 0.567 0.023 108 LYS 0.651 0.033 109 LYS 0.654 0.036 110 VAL 0.634 0.051 111 ASN 0.717 0.075 112 ILE 0.692 0.049 113 ASP 0.892 0.047 114 PHE 0.883 0.049 115 GLU 0.837 0.053 117 PHE 0.697 0.128 118 LYS 0.707 0.048 120 ILE 0.785 0.049 122 THR 0.451 0.021 123 SER 0.563 0.03 124 LEU 0.755 0.05 125 TYR 0.716 0.044 126 LEU 0.762 0.047 127 CYS 0.703 0.043 128 ASP 0.76 0.063 129 ASN 0.814 0.05 130 LYS 0.747 0.039 131 PHE 0.857 0.09 132 HIS 0.829 0.093 134 GLU 0.936 0.141 135 ALA 0.692 0.072 136 LEU 0.71 0.047 137 THR 0.732 0.038 138 ALA 0.732 0.035 139 LEU 0.734 0.042 140 LEU 0.763 0.063 141 SER 0.652 0.032 143 LEU 0.512 0.034 144 GLU 0.487 0.027 145 HIS 0.291 0.057 stop_ save_