data_17947 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Partial backbone 1H assignments of the 2/2 hemoglobin from the cyanobacterium Synechococcus sp. PCC 7002 in the ferrous bis-histidine state ; _BMRB_accession_number 17947 _BMRB_flat_file_name bmr17947.str _Entry_type original _Submission_date 2011-09-19 _Accession_date 2011-09-19 _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 Lecomte Juliette T.J. . 2 Preimesberger Matthew R. . 3 Pond Matthew P. . 4 Majumdar Ananya . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 249 "15N chemical shifts" 115 "T1 relaxation values" 92 "T2 relaxation values" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-02 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 16306 'ferric protein' stop_ _Original_release_date 2012-05-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Electron self-exchange and self-amplified posttranslational modification in the hemoglobins from Synechocystis sp. PCC 6803 and Synechococcus sp. PCC 7002 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22349976 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Preimesberger Matthew R. . 2 Pond Matthew P. . 3 Majumdar Ananya . . 4 Lecomte Juliette . . stop_ _Journal_abbreviation 'J. Biol. Inorg. Chem.' _Journal_volume 17 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 599 _Page_last 609 _Year 2012 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_entry_citation_2 _Saveframe_category citation _Citation_full . _Citation_title TBD _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pond Matthew P. . 2 Majumdar Ananya . . 3 Lecomte Juliette . . stop_ _Journal_abbreviation 'Not known' _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GlbN holoprotein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GlbN $GlbN HEB $HEB 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_GlbN _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GlbN _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 123 _Mol_residue_sequence ; ASLYEKLGGAAAVDLAVEKF YGKVLADERVNRFFVNTDMA KQKQHQKDFMTYAFGGTDRF PGRSMRAAHQDLVENAGLTD VHFDAIAENLVLTLQELNVS QDLIDEVVTIVGSVQHRNDV LNR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 ALA 2 3 SER 3 4 LEU 4 5 TYR 5 6 GLU 6 7 LYS 7 8 LEU 8 9 GLY 9 10 GLY 10 11 ALA 11 12 ALA 12 13 ALA 13 14 VAL 14 15 ASP 15 16 LEU 16 17 ALA 17 18 VAL 18 19 GLU 19 20 LYS 20 21 PHE 21 22 TYR 22 23 GLY 23 24 LYS 24 25 VAL 25 26 LEU 26 27 ALA 27 28 ASP 28 29 GLU 29 30 ARG 30 31 VAL 31 32 ASN 32 33 ARG 33 34 PHE 34 35 PHE 35 36 VAL 36 37 ASN 37 38 THR 38 39 ASP 39 40 MET 40 41 ALA 41 42 LYS 42 43 GLN 43 44 LYS 44 45 GLN 45 46 HIS 46 47 GLN 47 48 LYS 48 49 ASP 49 50 PHE 50 51 MET 51 52 THR 52 53 TYR 53 54 ALA 54 55 PHE 55 56 GLY 56 57 GLY 57 58 THR 58 59 ASP 59 60 ARG 60 61 PHE 61 62 PRO 62 63 GLY 63 64 ARG 64 65 SER 65 66 MET 66 67 ARG 67 68 ALA 68 69 ALA 69 70 HIS 70 71 GLN 71 72 ASP 72 73 LEU 73 74 VAL 74 75 GLU 75 76 ASN 76 77 ALA 77 78 GLY 78 79 LEU 79 80 THR 80 81 ASP 81 82 VAL 82 83 HIS 83 84 PHE 84 85 ASP 85 86 ALA 86 87 ILE 87 88 ALA 88 89 GLU 89 90 ASN 90 91 LEU 91 92 VAL 92 93 LEU 93 94 THR 94 95 LEU 95 96 GLN 96 97 GLU 97 98 LEU 98 99 ASN 99 100 VAL 100 101 SER 101 102 GLN 102 103 ASP 103 104 LEU 104 105 ILE 105 106 ASP 106 107 GLU 107 108 VAL 108 109 VAL 109 110 THR 110 111 ILE 111 112 VAL 112 113 GLY 113 114 SER 114 115 VAL 115 116 GLN 116 117 HIS 117 118 ARG 118 119 ASN 119 120 ASP 120 121 VAL 121 122 LEU 122 123 ASN 123 124 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-24 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 16306 GlbN 100.00 123 100.00 100.00 7.60e-83 BMRB 16307 GlbN 100.00 123 100.00 100.00 7.60e-83 BMRB 18422 GlbN 100.00 123 100.00 100.00 7.60e-83 BMRB 18423 GlbN 100.00 123 100.00 100.00 7.60e-83 BMRB 18424 GlbN 100.00 123 100.00 100.00 7.60e-83 PDB 2KSC "Solution Structure Of Synechococcus Sp. Pcc 7002 Hemoglobin" 100.00 123 100.00 100.00 7.60e-83 PDB 4L2M "Crystal Structure Of The 2/2 Hemoglobin From Synechococcus Sp. Pcc 7002 In The Cyanomet State And With Covalently Attached Heme" 100.00 123 100.00 100.00 7.60e-83 PDB 4MAX "Crystal Structure Of Synechococcus Sp. Pcc 7002 Globin At Cryogenic Temperature With Heme Modification" 100.00 123 100.00 100.00 7.60e-83 GB AAL79195 "cyanoglobin [Synechococcus sp. PCC 7002]" 100.00 124 100.00 100.00 5.48e-83 GB ACA99611 "cyanoglobin [Synechococcus sp. PCC 7002]" 100.00 124 100.00 100.00 5.48e-83 REF WP_012307234 "cyanoglobin [Synechococcus sp. PCC 7002]" 100.00 124 100.00 100.00 5.48e-83 REF WP_030006991 "group 1 hemoglobin GlbN [Synechococcus sp. NKBG042902]" 100.00 124 99.19 100.00 2.39e-82 stop_ save_ ############# # Ligands # ############# save_HEB _Saveframe_category ligand _Mol_type non-polymer _Name_common "HEB (HEME B/C)" _BMRB_code . _PDB_code HEB _Molecular_mass 618.503 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Sep 19 15:53:28 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons FE FE FE . 0 . ? CHA CHA C . 0 . ? CHB CHB C . 0 . ? CHC CHC C . 0 . ? CHD CHD C . 0 . ? NA NA N . 0 . ? C1A C1A C . 0 . ? C2A C2A C . 0 . ? C3A C3A C . 0 . ? C4A C4A C . 0 . ? CMA CMA C . 0 . ? CAA CAA C . 0 . ? CBA CBA C . 0 . ? CGA CGA C . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? NB NB N . 0 . ? C1B C1B C . 0 . ? C2B C2B C . 0 . ? C3B C3B C . 0 . ? C4B C4B C . 0 . ? CMB CMB C . 0 . ? CAB CAB C . 0 . ? CBB CBB C . 0 . ? NC NC N . 0 . ? C1C C1C C . 0 . ? C2C C2C C . 0 . ? C3C C3C C . 0 . ? C4C C4C C . 0 . ? CMC CMC C . 0 . ? CAC CAC C . 0 . ? CBC CBC C . 0 . ? ND ND N . 0 . ? C1D C1D C . 0 . ? C2D C2D C . 0 . ? C3D C3D C . 0 . ? C4D C4D C . 0 . ? CMD CMD C . 0 . ? CAD CAD C . 0 . ? CBD CBD C . 0 . ? CGD CGD C . 0 . ? O1D O1D O . 0 . ? O2D O2D O . 0 . ? HHA HHA H . 0 . ? HHB HHB H . 0 . ? HHC HHC H . 0 . ? HHD HHD H . 0 . ? HMA1 HMA1 H . 0 . ? HMA2 HMA2 H . 0 . ? HMA3 HMA3 H . 0 . ? HAA1 HAA1 H . 0 . ? HAA2 HAA2 H . 0 . ? HBA1 HBA1 H . 0 . ? HBA2 HBA2 H . 0 . ? H2A H2A H . 0 . ? HMB1 HMB1 H . 0 . ? HMB2 HMB2 H . 0 . ? HMB3 HMB3 H . 0 . ? HAB HAB H . 0 . ? HAB2 HAB2 H . 0 . ? HBB1 HBB1 H . 0 . ? HBB2 HBB2 H . 0 . ? HBB3 HBB3 H . 0 . ? HMC1 HMC1 H . 0 . ? HMC2 HMC2 H . 0 . ? HMC3 HMC3 H . 0 . ? HAC HAC H . 0 . ? HBC1 HBC1 H . 0 . ? HBC2 HBC2 H . 0 . ? HMD1 HMD1 H . 0 . ? HMD2 HMD2 H . 0 . ? HMD3 HMD3 H . 0 . ? HAD1 HAD1 H . 0 . ? HAD2 HAD2 H . 0 . ? HBD1 HBD1 H . 0 . ? HBD2 HBD2 H . 0 . ? H2D H2D H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING FE NA ? ? SING FE NB ? ? SING FE NC ? ? SING FE ND ? ? DOUB CHA C1A ? ? SING CHA C4D ? ? SING CHA HHA ? ? DOUB CHB C4A ? ? SING CHB C1B ? ? SING CHB HHB ? ? DOUB CHC C4B ? ? SING CHC C1C ? ? SING CHC HHC ? ? SING CHD C4C ? ? DOUB CHD C1D ? ? SING CHD HHD ? ? SING NA C1A ? ? SING NA C4A ? ? SING C1A C2A ? ? DOUB C2A C3A ? ? SING C2A CAA ? ? SING C3A C4A ? ? SING C3A CMA ? ? SING CMA HMA1 ? ? SING CMA HMA2 ? ? SING CMA HMA3 ? ? SING CAA CBA ? ? SING CAA HAA1 ? ? SING CAA HAA2 ? ? SING CBA CGA ? ? SING CBA HBA1 ? ? SING CBA HBA2 ? ? DOUB CGA O1A ? ? SING CGA O2A ? ? SING O2A H2A ? ? DOUB NB C1B ? ? SING NB C4B ? ? SING C1B C2B ? ? DOUB C2B C3B ? ? SING C2B CMB ? ? SING C3B C4B ? ? SING C3B CAB ? ? SING CMB HMB1 ? ? SING CMB HMB2 ? ? SING CMB HMB3 ? ? SING CAB CBB ? ? SING CAB HAB ? ? SING CAB HAB2 ? ? SING CBB HBB1 ? ? SING CBB HBB2 ? ? SING CBB HBB3 ? ? SING NC C1C ? ? SING NC C4C ? ? DOUB C1C C2C ? ? SING C2C C3C ? ? SING C2C CMC ? ? DOUB C3C C4C ? ? SING C3C CAC ? ? SING CMC HMC1 ? ? SING CMC HMC2 ? ? SING CMC HMC3 ? ? DOUB CAC CBC ? ? SING CAC HAC ? ? SING CBC HBC1 ? ? SING CBC HBC2 ? ? SING ND C1D ? ? DOUB ND C4D ? ? SING C1D C2D ? ? DOUB C2D C3D ? ? SING C2D CMD ? ? SING C3D C4D ? ? SING C3D CAD ? ? SING CMD HMD1 ? ? SING CMD HMD2 ? ? SING CMD HMD3 ? ? SING CAD CBD ? ? SING CAD HAD1 ? ? SING CAD HAD2 ? ? SING CBD CGD ? ? SING CBD HBD1 ? ? SING CBD HBD2 ? ? DOUB CGD O1D ? ? SING CGD O2D ? ? SING O2D H2D ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GlbN 'cyanobacteria synechococcus' 269084 Eukaryota Cyanobacteria Synechococcus 'Synechococcus elongatus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $GlbN 'recombinant technology' . Escherichia coli BL21(DE3) pET3c 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 $GlbN 1.6 mM [U-15N] $HEB 1.6 mM 'natural abundance' 'potassium phosphate' 100 mM 'natural abundance' glucose 0.1 % 'natural abundance' 'glucose oxidase' 0.2-0.5 mg/mL 'natural abundance' catalase 0.05-0.2 mg/mL 'natural abundance' dithionite 8 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GlbN .76 mM '[U-100% 13C; U-100% 15N]' $HEB .76 mM 'natural abundance' 'potassium phosphate' 250 mM 'natural abundance' glucose 0.1 % 'natural abundance' 'glucose oxidase' 0.2-0.5 mg/mL 'natural abundance' catalase 0.05-0.2 mg/mL 'natural abundance' dithionite 4 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GlbN 1.6 mM '[U-100% 15N]' $HEB 1.6 mM 'natural abundance' 'potassium phosphate' 100 mM 'natural abundance' glucose 8 mM 'natural abundance' 'glucose oxidase' 0.8 uM 'natural abundance' catalase 0.05 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . 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 . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_NOE_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N NOE' _Sample_label $sample_3 save_ save_2D_15N_R1_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N R1' _Sample_label $sample_3 save_ save_2D_15N_R2_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N R2' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.3 . M pH 7.15 0.05 pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.75 . M pH 7.15 0.05 pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.3 . M pH 7.20 0.05 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 water H 1 protons ppm 4.76 internal direct . . . 1.0 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' '3D HNCACB' '3D CBCA(CO)NH' '2D 1H-1H TOCSY' '2D DQF-COSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GlbN _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 4 3 LEU H H 8.72 0.01 1 2 5 4 TYR H H 7.54 0.01 1 3 6 5 GLU H H 7.68 0.01 1 4 7 6 LYS H H 8.22 0.01 1 5 8 7 LEU H H 7.68 0.01 1 6 9 8 GLY H H 7.25 0.01 1 7 10 9 GLY H H 8.20 0.01 1 8 11 10 ALA H H 8.48 0.01 1 9 12 11 ALA H H 8.41 0.01 1 10 13 12 ALA H H 7.40 0.01 1 11 13 12 ALA HA H 4.05 0.01 1 12 14 13 VAL H H 7.80 0.01 1 13 14 13 VAL HA H 3.25 0.01 1 14 15 14 ASP H H 8.17 0.01 1 15 16 15 LEU H H 7.56 0.01 1 16 17 16 ALA H H 8.03 0.01 1 17 17 16 ALA HA H 3.81 0.01 1 18 18 17 VAL H H 8.83 0.01 1 19 19 18 GLU H H 7.88 0.01 1 20 20 19 LYS H H 8.10 0.01 1 21 21 20 PHE H H 8.67 0.01 1 22 22 21 TYR H H 8.89 0.01 1 23 23 22 GLY H H 7.71 0.01 1 24 24 23 LYS H H 7.81 0.01 1 25 25 24 VAL H H 7.73 0.01 1 26 26 25 LEU H H 7.23 0.01 1 27 27 26 ALA H H 7.04 0.01 1 28 27 26 ALA HA H 4.29 0.01 1 29 28 27 ASP H H 7.28 0.01 1 30 28 27 ASP HA H 4.60 0.01 1 31 29 28 GLU H H 9.09 0.01 1 32 29 28 GLU HA H 4.18 0.01 1 33 30 29 ARG H H 8.87 0.01 1 34 31 30 VAL H H 7.37 0.01 1 35 31 30 VAL HA H 5.20 0.01 1 36 32 31 ASN H H 9.00 0.01 1 37 32 31 ASN HA H 4.12 0.01 1 38 33 32 ARG H H 8.36 0.01 1 39 34 33 PHE H H 7.68 0.01 1 40 35 34 PHE H H 7.61 0.01 1 41 36 35 VAL H H 7.56 0.01 1 42 37 36 ASN H H 8.47 0.01 1 43 37 36 ASN HA H 4.95 0.01 1 44 38 37 THR H H 7.79 0.01 1 45 39 38 ASP H H 8.82 0.01 1 46 40 39 MET H H 8.73 0.01 9 47 41 40 ALA H H 8.47 0.01 1 48 42 41 LYS H H 7.65 0.01 1 49 43 42 GLN H H 8.19 0.01 1 50 44 43 LYS H H 7.84 0.01 1 51 45 44 GLN H H 7.72 0.01 9 52 46 45 HIS H H 7.56 0.01 1 53 47 46 GLN H H 6.84 0.01 1 54 48 47 LYS H H 7.77 0.01 1 55 49 48 ASP H H 8.68 0.01 1 56 50 49 PHE H H 8.20 0.01 1 57 52 51 THR H H 8.73 0.01 1 58 53 52 TYR H H 8.45 0.01 1 59 54 53 ALA H H 8.13 0.01 1 60 55 54 PHE H H 7.65 0.01 1 61 56 55 GLY H H 8.16 0.01 1 62 57 56 GLY H H 8.56 0.01 1 63 58 57 THR H H 7.71 0.01 1 64 59 58 ASP H H 8.63 0.01 1 65 60 59 ARG H H 7.39 0.01 1 66 63 62 GLY H H 9.54 0.02 1 67 67 66 ARG H H 8.13 0.01 1 68 68 67 ALA H H 6.95 0.01 1 69 68 67 ALA HA H 3.85 0.01 1 70 69 68 ALA H H 7.63 0.01 1 71 70 69 HIS H H 5.69 0.01 1 72 70 69 HIS HA H 3.15 0.01 1 73 71 70 GLN H H 6.78 0.01 1 74 72 71 ASP H H 8.46 0.01 1 75 73 72 LEU H H 7.19 0.01 1 76 73 72 LEU HA H 4.08 0.01 1 77 74 73 VAL H H 7.39 0.01 1 78 75 74 GLU H H 8.22 0.01 1 79 76 75 ASN H H 8.42 0.01 1 80 76 75 ASN HA H 5.07 0.01 1 81 77 76 ALA H H 7.44 0.01 1 82 77 76 ALA HA H 4.89 0.01 1 83 78 77 GLY H H 7.75 0.01 1 84 79 78 LEU H H 7.33 0.01 1 85 79 78 LEU HA H 4.45 0.01 1 86 80 79 THR H H 11.35 0.01 1 87 81 80 ASP H H 8.88 0.01 1 88 82 81 VAL H H 7.98 0.01 1 89 83 82 HIS H H 7.14 0.01 1 90 83 82 HIS HA H 4.30 0.01 1 91 84 83 PHE H H 7.70 0.01 1 92 85 84 ASP H H 9.04 0.01 1 93 85 84 ASP HA H 4.64 0.01 1 94 86 85 ALA H H 8.10 0.01 1 95 86 85 ALA HA H 4.19 0.01 1 96 87 86 ILE H H 8.15 0.01 1 97 88 87 ALA H H 7.87 0.01 1 98 89 88 GLU H H 8.53 0.01 1 99 90 89 ASN H H 7.92 0.01 1 100 91 90 LEU H H 7.98 0.01 1 101 92 91 VAL H H 8.00 0.01 1 102 93 92 LEU H H 8.58 0.01 1 103 94 93 THR H H 7.51 0.01 1 104 95 94 LEU H H 7.87 0.01 1 105 96 95 GLN H H 8.61 0.01 1 106 97 96 GLU H H 8.25 0.01 1 107 98 97 LEU H H 7.42 0.01 1 108 99 98 ASN H H 8.05 0.01 1 109 100 99 VAL H H 7.60 0.01 1 110 101 100 SER H H 8.39 0.01 1 111 102 101 GLN H H 8.91 0.01 1 112 103 102 ASP H H 8.37 0.01 1 113 104 103 LEU H H 7.29 0.01 1 114 105 104 ILE H H 7.73 0.01 1 115 106 105 ASP H H 8.75 0.01 1 116 107 106 GLU H H 7.33 0.01 1 117 108 107 VAL H H 7.93 0.01 1 118 109 108 VAL H H 8.65 0.01 1 119 110 109 THR H H 7.72 0.01 1 120 111 110 ILE H H 7.87 0.01 1 121 112 111 VAL H H 9.04 0.01 1 122 113 112 GLY H H 7.67 0.01 1 123 114 113 SER H H 7.45 0.01 1 124 115 114 VAL H H 8.62 0.01 1 125 116 115 GLN H H 8.20 0.01 1 126 117 116 HIS H H 8.08 0.01 1 127 118 117 ARG H H 8.00 0.01 1 128 119 118 ASN H H 8.16 0.01 1 129 120 119 ASP H H 7.85 0.01 1 130 121 120 VAL H H 7.86 0.01 1 131 121 120 VAL HA H 1.76 0.01 1 132 122 121 LEU H H 7.34 0.01 1 133 123 122 ASN H H 7.64 0.01 1 134 124 123 ARG H H 8.75 0.01 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_3 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GlbN _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 4 3 LEU H H 8.76 0.02 1 2 4 3 LEU N N 123.57 0.2 1 3 5 4 TYR H H 7.54 0.02 1 4 5 4 TYR N N 115.48 0.2 1 5 6 5 GLU H H 7.68 0.02 1 6 6 5 GLU N N 118.64 0.2 1 7 7 6 LYS H H 8.22 0.02 1 8 7 6 LYS N N 118.63 0.2 1 9 8 7 LEU H H 7.68 0.02 1 10 8 7 LEU N N 115.04 0.2 1 11 9 8 GLY H H 7.25 0.02 1 12 9 8 GLY N N 104 0.2 1 13 10 9 GLY H H 8.2 0.02 1 14 10 9 GLY N N 109.25 0.2 1 15 11 10 ALA H H 8.48 0.02 1 16 11 10 ALA N N 122.15 0.2 1 17 12 11 ALA H H 8.41 0.02 1 18 12 11 ALA N N 119.17 0.2 1 19 13 12 ALA H H 7.4 0.02 1 20 13 12 ALA N N 121.14 0.2 1 21 14 13 VAL H H 7.8 0.02 1 22 14 13 VAL N N 119.11 0.2 1 23 15 14 ASP H H 8.17 0.02 1 24 15 14 ASP N N 118.91 0.2 1 25 16 15 LEU H H 7.56 0.02 1 26 16 15 LEU N N 119.98 0.2 1 27 17 16 ALA H H 8.03 0.02 1 28 17 16 ALA N N 122.05 0.2 1 29 18 17 VAL H H 8.83 0.02 1 30 18 17 VAL N N 118.32 0.2 1 31 19 18 GLU H H 7.88 0.02 1 32 19 18 GLU N N 119.24 0.2 1 33 20 19 LYS H H 8.1 0.02 1 34 20 19 LYS N N 119.97 0.2 1 35 21 20 PHE H H 8.67 0.02 1 36 21 20 PHE N N 122.35 0.2 1 37 22 21 TYR H H 8.89 0.02 1 38 22 21 TYR N N 118.93 0.2 1 39 23 22 GLY H H 7.71 0.02 1 40 23 22 GLY N N 105.95 0.2 1 41 24 23 LYS H H 7.81 0.02 1 42 24 23 LYS N N 121.89 0.2 1 43 25 24 VAL H H 7.73 0.02 1 44 25 24 VAL N N 119.22 0.2 1 45 26 25 LEU H H 7.23 0.02 1 46 26 25 LEU N N 116.18 0.2 1 47 27 26 ALA H H 7.04 0.02 1 48 27 26 ALA N N 119.11 0.2 1 49 28 27 ASP H H 7.28 0.02 1 50 28 27 ASP N N 119.8 0.2 1 51 29 28 GLU H H 9.09 0.02 1 52 29 28 GLU N N 128.22 0.2 1 53 30 29 ARG H H 8.87 0.02 1 54 30 29 ARG N N 117.67 0.2 1 55 31 30 VAL H H 7.37 0.02 1 56 31 30 VAL N N 104.84 0.2 1 57 32 31 ASN H H 9 0.02 1 58 32 31 ASN N N 122.79 0.2 1 59 33 32 ARG H H 8.36 0.02 1 60 33 32 ARG N N 120.5 0.2 1 61 34 33 PHE H H 7.68 0.02 1 62 34 33 PHE N N 117.56 0.2 1 63 35 34 PHE H H 7.61 0.02 1 64 35 34 PHE N N 113.58 0.2 1 65 36 35 VAL H H 7.56 0.02 1 66 36 35 VAL N N 117.06 0.2 1 67 37 36 ASN H H 8.47 0.02 1 68 37 36 ASN N N 117.85 0.2 1 69 38 37 THR H H 7.79 0.02 1 70 38 37 THR N N 117.2 0.2 1 71 39 38 ASP H H 8.82 0.02 1 72 39 38 ASP N N 126.07 0.2 1 73 40 39 MET H H 8.73 0.02 1 74 40 39 MET N N 123.54 0.2 1 75 41 40 ALA H H 8.47 0.02 1 76 41 40 ALA N N 121.12 0.2 1 77 42 41 LYS H H 7.65 0.02 1 78 42 41 LYS N N 120.34 0.2 1 79 43 42 GLN H H 8.19 0.02 1 80 43 42 GLN N N 120.53 0.2 1 81 44 43 LYS H H 7.84 0.02 1 82 44 43 LYS N N 118.04 0.2 1 83 45 44 GLN H H 7.72 0.02 1 84 45 44 GLN N N 118.69 0.2 1 85 46 45 HIS H H 7.56 0.02 1 86 46 45 HIS N N 118.12 0.2 1 87 47 46 GLN H H 6.84 0.02 1 88 47 46 GLN N N 118.5 0.2 1 89 48 47 LYS H H 7.77 0.02 1 90 48 47 LYS N N 121.02 0.2 1 91 49 48 ASP H H 8.68 0.02 1 92 49 48 ASP N N 126.05 0.2 1 93 50 49 PHE H H 8.2 0.02 1 94 50 49 PHE N N 122.13 0.2 1 95 51 50 MET H H 7.93 0.02 1 96 51 50 MET N N 116.42 0.2 1 97 52 51 THR H H 8.73 0.02 1 98 52 51 THR N N 116.59 0.2 1 99 53 52 TYR H H 8.45 0.02 1 100 53 52 TYR N N 124.21 0.2 1 101 54 53 ALA H H 8.12 0.02 1 102 54 53 ALA N N 119.5 0.2 1 103 55 54 PHE H H 7.65 0.02 1 104 55 54 PHE N N 110.63 0.2 1 105 56 55 GLY H H 8.19 0.02 1 106 56 55 GLY N N 106.85 0.2 1 107 57 56 GLY H H 8.56 0.02 1 108 57 56 GLY N N 113.29 0.2 1 109 58 57 THR H H 7.71 0.02 1 110 58 57 THR N N 111.14 0.2 1 111 59 58 ASP H H 8.63 0.02 1 112 59 58 ASP N N 121.83 0.2 1 113 60 59 ARG H H 7.39 0.02 1 114 60 59 ARG N N 116.95 0.2 1 115 63 62 GLY H H 9.54 0.02 1 116 63 62 GLY N N 111.18 0.2 1 117 67 66 ARG H H 8.13 0.02 1 118 67 66 ARG N N 122.39 0.2 1 119 68 67 ALA H H 6.95 0.02 1 120 68 67 ALA N N 119.38 0.2 1 121 69 68 ALA H H 7.63 0.02 1 122 69 68 ALA N N 117 0.2 1 123 70 69 HIS H H 5.69 0.02 1 124 70 69 HIS N N 109.15 0.2 1 125 71 70 GLN H H 6.78 0.02 1 126 71 70 GLN N N 121.41 0.2 1 127 72 71 ASP H H 8.46 0.02 1 128 72 71 ASP N N 118.64 0.2 1 129 73 72 LEU H H 7.19 0.02 1 130 73 72 LEU N N 118.17 0.2 1 131 74 73 VAL H H 7.39 0.02 1 132 74 73 VAL N N 120.2 0.2 1 133 75 74 GLU H H 8.26 0.02 1 134 75 74 GLU N N 117.18 0.2 1 135 76 75 ASN H H 8.46 0.02 1 136 76 75 ASN N N 112.01 0.2 1 137 77 76 ALA H H 7.48 0.02 1 138 77 76 ALA N N 121.44 0.2 1 139 78 77 GLY H H 7.8 0.02 1 140 78 77 GLY N N 107.35 0.2 1 141 79 78 LEU H H 7.39 0.02 1 142 79 78 LEU N N 121.05 0.2 1 143 80 79 THR H H 11.35 0.02 1 144 80 79 THR N N 126.65 0.2 1 145 81 80 ASP H H 8.88 0.02 1 146 81 80 ASP N N 121.14 0.2 1 147 82 81 VAL H H 7.98 0.02 1 148 82 81 VAL N N 114.41 0.2 1 149 83 82 HIS H H 7.14 0.02 1 150 83 82 HIS N N 121.87 0.2 1 151 84 83 PHE H H 7.7 0.02 1 152 84 83 PHE N N 120.35 0.2 1 153 85 84 ASP H H 9.04 0.02 1 154 85 84 ASP N N 117.56 0.2 1 155 86 85 ALA H H 8.1 0.02 1 156 86 85 ALA N N 122.67 0.2 1 157 87 86 ILE H H 8.15 0.02 1 158 87 86 ILE N N 117.86 0.2 1 159 88 87 ALA H H 7.87 0.02 1 160 88 87 ALA N N 123.43 0.2 1 161 89 88 GLU H H 8.53 0.02 1 162 89 88 GLU N N 119.22 0.2 1 163 90 89 ASN H H 7.92 0.02 1 164 90 89 ASN N N 116.09 0.2 1 165 91 90 LEU H H 7.98 0.02 1 166 91 90 LEU N N 125.39 0.2 1 167 92 91 VAL H H 8 0.02 1 168 92 91 VAL N N 121.73 0.2 1 169 93 92 LEU H H 8.58 0.02 1 170 93 92 LEU N N 117.79 0.2 1 171 94 93 THR H H 7.51 0.02 1 172 94 93 THR N N 116.05 0.2 1 173 95 94 LEU H H 7.87 0.02 1 174 95 94 LEU N N 118.42 0.2 1 175 96 95 GLN H H 8.61 0.02 1 176 96 95 GLN N N 118.75 0.2 1 177 97 96 GLU H H 8.25 0.02 1 178 97 96 GLU N N 121.49 0.2 1 179 98 97 LEU H H 7.42 0.02 1 180 98 97 LEU N N 118.15 0.2 1 181 99 98 ASN H H 8.05 0.02 1 182 99 98 ASN N N 115.22 0.2 1 183 100 99 VAL H H 7.6 0.02 1 184 100 99 VAL N N 118.92 0.2 1 185 101 100 SER H H 8.39 0.02 1 186 101 100 SER N N 120.09 0.2 1 187 102 101 GLN H H 8.91 0.02 1 188 102 101 GLN N N 125.62 0.2 1 189 103 102 ASP H H 8.37 0.02 1 190 103 102 ASP N N 115.77 0.2 1 191 104 103 LEU H H 7.29 0.02 1 192 104 103 LEU N N 120.99 0.2 1 193 105 104 ILE H H 7.74 0.02 1 194 105 104 ILE N N 120.29 0.2 1 195 106 105 ASP H H 8.75 0.02 1 196 106 105 ASP N N 118.3 0.2 1 197 107 106 GLU H H 7.33 0.02 1 198 107 106 GLU N N 120.79 0.2 1 199 108 107 VAL H H 7.93 0.02 1 200 108 107 VAL N N 121.25 0.2 1 201 109 108 VAL H H 8.65 0.02 1 202 109 108 VAL N N 119.79 0.2 1 203 110 109 THR H H 7.72 0.02 1 204 110 109 THR N N 115.76 0.2 1 205 111 110 ILE H H 7.87 0.02 1 206 111 110 ILE N N 122.92 0.2 1 207 112 111 VAL H H 9.04 0.02 1 208 112 111 VAL N N 118.33 0.2 1 209 113 112 GLY H H 7.67 0.02 1 210 113 112 GLY N N 104.96 0.2 1 211 114 113 SER H H 7.49 0.02 1 212 114 113 SER N N 116.72 0.2 1 213 115 114 VAL H H 8.62 0.02 1 214 115 114 VAL N N 124.53 0.2 1 215 116 115 GLN H H 8.2 0.02 1 216 116 115 GLN N N 118.96 0.2 1 217 117 116 HIS H H 8.08 0.02 1 218 117 116 HIS N N 118.35 0.2 1 219 119 118 ASN H H 8.16 0.02 1 220 119 118 ASN N N 115.24 0.2 1 221 120 119 ASP H H 7.85 0.02 1 222 120 119 ASP N N 119.24 0.2 1 223 121 120 VAL H H 7.86 0.02 1 224 121 120 VAL N N 119.92 0.2 1 225 122 121 LEU H H 7.34 0.02 1 226 122 121 LEU N N 108.76 0.2 1 227 123 122 ASN H H 7.64 0.02 1 228 123 122 ASN N N 118.13 0.2 1 229 124 123 ARG H H 8.75 0.02 1 230 124 123 ARG N N 123.4 0.2 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_3 _Spectrometer_frequency_1H 600 _T1_coherence_type Iz _T1_value_units s-1 _Mol_system_component_name GlbN _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 TYR N 1.635 0.049 2 5 GLU N 1.575 0.039 3 7 LEU N 1.566 0.030 4 8 GLY N 1.537 0.012 5 9 GLY N 1.423 0.018 6 10 ALA N 1.611 0.023 7 11 ALA N 1.617 0.112 8 13 VAL N 1.555 0.007 9 15 LEU N 1.550 0.014 10 16 ALA N 1.624 0.025 11 17 VAL N 1.563 0.022 12 19 LYS N 1.589 0.007 13 20 PHE N 1.619 0.024 14 21 TYR N 1.631 0.036 15 22 GLY N 1.594 0.028 16 23 LYS N 1.624 0.016 17 24 VAL N 1.556 0.012 18 25 LEU N 1.533 0.013 19 26 ALA N 1.553 0.010 20 27 ASP N 1.548 0.006 21 28 GLU N 1.555 0.029 22 29 ARG N 1.579 0.015 23 30 VAL N 1.585 0.016 24 31 ASN N 1.661 0.021 25 33 PHE N 1.653 0.017 26 34 PHE N 1.591 0.024 27 35 VAL N 1.606 0.022 28 36 ASN N 1.662 0.120 29 37 THR N 1.609 0.081 30 38 ASP N 1.648 0.104 31 42 GLN N 1.665 0.038 32 43 LYS N 1.629 0.018 33 44 GLN N 1.597 0.029 34 45 HIS N 1.676 0.010 35 46 GLN N 1.797 0.092 36 47 LYS N 1.656 0.012 37 48 ASP N 1.671 0.030 38 51 THR N 1.643 0.033 39 52 TYR N 1.596 0.049 40 53 ALA N 1.666 0.036 41 54 PHE N 1.540 0.014 42 55 GLY N 1.637 0.073 43 56 GLY N 1.770 0.055 44 57 THR N 1.568 0.086 45 58 ASP N 1.618 0.122 46 59 ARG N 1.595 0.128 47 66 ARG N 1.559 0.044 48 67 ALA N 1.570 0.021 49 68 ALA N 1.578 0.007 50 70 GLN N 1.561 0.022 51 71 ASP N 1.630 0.079 52 72 LEU N 1.541 0.012 53 73 VAL N 1.630 0.015 54 74 GLU N 1.576 0.013 55 75 ASN N 1.503 0.012 56 76 ALA N 1.473 0.012 57 77 GLY N 1.454 0.027 58 79 THR N 1.493 0.031 59 80 ASP N 1.539 0.034 60 81 VAL N 1.525 0.013 61 82 HIS N 1.579 0.002 62 84 ASP N 1.524 0.008 63 86 ILE N 1.593 0.047 64 87 ALA N 1.581 0.031 65 88 GLU N 1.528 0.019 66 90 LEU N 1.587 0.012 67 91 VAL N 1.506 0.018 68 92 LEU N 1.542 0.009 69 93 THR N 1.512 0.005 70 94 LEU N 1.554 0.012 71 95 GLN N 1.514 0.007 72 96 GLU N 1.502 0.007 73 97 LEU N 1.456 0.012 74 98 ASN N 1.530 0.006 75 99 VAL N 1.534 0.006 76 101 GLN N 1.587 0.111 77 102 ASP N 1.527 0.043 78 103 LEU N 1.503 0.012 79 105 ASP N 1.515 0.010 80 107 VAL N 1.515 0.028 81 108 VAL N 1.552 0.012 82 109 THR N 1.516 0.009 83 110 ILE N 1.632 0.033 84 111 VAL N 1.660 0.066 85 112 GLY N 1.523 0.024 86 113 SER N 1.621 0.024 87 114 VAL N 1.613 0.125 88 116 HIS N 1.621 0.022 89 118 ASN N 1.573 0.009 90 120 VAL N 1.644 0.046 91 121 LEU N 1.550 0.015 92 122 ASN N 1.614 0.034 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_3 _Spectrometer_frequency_1H 600 _T2_coherence_type I(+,-) _T2_value_units s-1 _Mol_system_component_name GlbN _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 4 TYR N 12.63 0.15 . . 2 5 GLU N 10.79 0.10 . . 3 7 LEU N 14.42 0.25 . . 4 8 GLY N 12.84 0.21 . . 5 9 GLY N 8.77 0.13 . . 6 10 ALA N 20.10 0.40 . . 7 11 ALA N 10.08 0.15 . . 8 13 VAL N 10.35 0.06 . . 9 15 LEU N 11.68 0.22 . . 10 16 ALA N 10.49 0.20 . . 11 17 VAL N 11.15 0.11 . . 12 19 LYS N 10.75 0.04 . . 13 20 PHE N 10.66 0.11 . . 14 21 TYR N 13.41 0.26 . . 15 22 GLY N 16.97 0.63 . . 16 23 LYS N 10.83 0.24 . . 17 24 VAL N 11.42 0.10 . . 18 25 LEU N 11.47 0.25 . . 19 26 ALA N 10.93 0.06 . . 20 27 ASP N 9.41 0.08 . . 21 28 GLU N 9.79 0.11 . . 22 29 ARG N 10.83 0.11 . . 23 30 VAL N 13.32 0.23 . . 24 31 ASN N 9.63 0.12 . . 25 33 PHE N 10.95 0.11 . . 26 34 PHE N 9.66 0.15 . . 27 35 VAL N 11.22 0.10 . . 28 36 ASN N 12.71 0.16 . . 29 37 THR N 17.50 0.28 . . 30 38 ASP N 12.91 0.23 . . 31 42 GLN N 10.59 0.14 . . 32 43 LYS N 14.00 0.16 . . 33 44 GLN N 10.71 0.10 . . 34 45 HIS N 11.50 0.11 . . 35 46 GLN N 20.18 1.36 . . 36 47 LYS N 10.56 0.15 . . 37 48 ASP N 16.60 0.42 . . 38 51 THR N 14.76 0.26 . . 39 52 TYR N 13.02 0.33 . . 40 53 ALA N 22.57 0.76 . . 41 54 PHE N 10.52 0.14 . . 42 55 GLY N 12.09 0.17 . . 43 56 GLY N 31.44 2.74 . . 44 57 THR N 10.46 0.18 . . 45 58 ASP N 11.31 0.25 . . 46 59 ARG N 12.36 0.11 . . 47 66 ARG N 10.87 0.27 . . 48 67 ALA N 13.46 0.22 . . 49 68 ALA N 10.82 0.15 . . 50 70 GLN N 12.57 0.21 . . 51 71 ASP N 9.91 0.14 . . 52 72 LEU N 10.16 0.07 . . 53 73 VAL N 10.24 0.12 . . 54 74 GLU N 10.14 0.11 . . 55 75 ASN N 9.53 0.10 . . 56 76 ALA N 8.93 0.10 . . 57 77 GLY N 8.33 0.10 . . 58 79 THR N 9.81 0.19 . . 59 80 ASP N 10.02 0.09 . . 60 81 VAL N 10.40 0.08 . . 61 82 HIS N 10.29 0.04 . . 62 84 ASP N 13.67 0.20 . . 63 85 ALA N 10.37 0.06 . . 64 86 ILE N 15.51 0.20 . . 65 87 ALA N 11.08 0.13 . . 66 88 GLU N 11.73 0.12 . . 67 90 LEU N 10.14 0.12 . . 68 91 VAL N 10.02 0.06 . . 69 92 LEU N 11.08 0.18 . . 70 93 THR N 10.37 0.08 . . 71 94 LEU N 11.36 0.10 . . 72 95 GLN N 10.90 0.03 . . 73 96 GLU N 10.33 0.05 . . 74 97 LEU N 10.06 0.06 . . 75 98 ASN N 10.07 0.02 . . 76 99 VAL N 12.23 0.07 . . 77 101 GLN N 9.83 0.09 . . 78 102 ASP N 10.16 0.08 . . 79 103 LEU N 10.48 0.09 . . 80 105 ASP N 10.71 0.07 . . 81 107 VAL N 11.56 0.11 . . 82 108 VAL N 12.30 0.10 . . 83 109 THR N 10.88 0.12 . . 84 110 ILE N 12.96 0.55 . . 85 111 VAL N 42.40 2.67 . . 86 112 GLY N 14.36 0.21 . . 87 113 SER N 9.49 0.07 . . 88 114 VAL N 12.81 0.14 . . 89 116 HIS N 12.35 0.25 . . 90 118 ASN N 10.45 0.17 . . 91 120 VAL N 11.72 0.17 . . 92 121 LEU N 10.70 0.18 . . 93 122 ASN N 11.08 0.27 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_3 _Spectrometer_frequency_1H 600 _Mol_system_component_name GlbN _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 TYR 0.786 0.008 5 GLU 0.763 0.006 7 LEU 0.799 0.052 8 GLY 0.797 0.017 9 GLY 0.748 0.009 10 ALA 0.747 0.063 11 ALA 0.773 0.048 13 VAL 0.808 0.004 15 LEU 0.840 0.007 16 ALA 0.721 0.014 17 VAL 0.796 0.017 19 LYS 0.839 0.029 20 PHE 0.836 0.019 21 TYR 0.781 0.022 22 GLY 0.865 0.055 23 LYS 0.818 0.084 24 VAL 0.830 0.029 25 LEU 0.823 0.019 26 ALA 0.848 0.011 27 ASP 0.839 0.020 28 GLU 0.819 0.004 29 ARG 0.811 0.013 30 VAL 0.814 0.033 31 ASN 0.822 0.008 33 PHE 0.810 0.016 34 PHE 0.794 0.014 35 VAL 0.767 0.015 36 ASN 0.741 0.013 37 THR 0.737 0.011 38 ASP 0.721 0.014 42 GLN 0.794 0.014 43 LYS 0.782 0.047 44 GLN 0.821 0.021 45 HIS 0.816 0.036 46 GLN 0.764 0.047 47 LYS 0.813 0.040 48 ASP 0.849 0.051 51 THR 0.808 0.030 52 TYR 0.744 0.039 53 ALA 0.806 0.019 54 PHE 0.780 0.021 55 GLY 0.734 0.015 56 GLY 0.803 0.036 58 ASP 0.751 0.003 59 ARG 0.718 0.034 66 ARG 0.701 0.012 67 ALA 0.832 0.024 68 ALA 0.798 0.036 70 GLN 0.854 0.041 71 ASP 0.810 0.017 72 LEU 0.798 0.006 73 VAL 0.824 0.047 74 GLU 0.808 0.025 75 ASN 0.804 0.009 76 ALA 0.817 0.013 77 GLY 0.803 0.022 79 THR 0.813 0.023 80 ASP 0.824 0.020 81 VAL 0.813 0.012 82 HIS 0.833 0.010 84 ASP 0.806 0.032 86 ILE 0.827 0.021 87 ALA 0.837 0.042 88 GLU 0.787 0.014 90 LEU 0.856 0.009 91 VAL 0.798 0.004 92 LEU 0.839 0.027 93 THR 0.820 0.003 94 LEU 0.822 0.022 95 GLN 0.820 0.019 96 GLU 0.818 0.008 97 LEU 0.806 0.015 98 ASN 0.797 0.014 99 VAL 0.830 0.016 101 GLN 0.825 0.012 102 ASP 0.807 0.015 103 LEU 0.828 0.021 105 ASP 0.829 0.008 107 VAL 0.828 0.019 108 VAL 0.791 0.013 109 THR 0.819 0.016 110 ILE 0.821 0.032 111 VAL 0.785 0.082 112 GLY 0.812 0.053 113 SER 0.796 0.009 114 VAL 0.780 0.047 116 HIS 0.813 0.005 118 ASN 0.795 0.006 120 VAL 0.822 0.042 121 LEU 0.809 0.011 122 ASN 0.817 0.019 stop_ save_