data_4267 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4267 _Entry.Title ; Chemical shift assignments, 3JHNHA coupling constants and secondary structure of HNGAL (Human Neutrophil Gelatinase-Associated Lipocalin) in its apo form. ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1998-11-11 _Entry.Accession_date 1998-11-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details ; The data presented are for apo-HNGAL (Human Neutrophil Gelatinase-Associated Lipocalin), a member of the lipocalin family of extracellular proteins which generally function as transporters of small, hydrophobic molecules. HNGAL binds bacterially-derived chemotactic formyl-peptides which induce leukocyte granule discharge. HNGAL aslo forms a protein-protein complex with the proenzyme of matrix metalloproteinase-9, pro-MMP-9 (or progelatinase B) which influences its subsequent complexations and metalloproteinase activity. This is the first lipocalin structure solved by NMR methods. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Murray Coles . . . 4267 2 Tammo Diercks . . . 4267 3 Bernd Muehlenweg . . . 4267 4 Stefan Bartsch . . . 4267 5 Volker Zoelzer . . . 4267 6 Harald Tschesche . . . 4267 7 Horst Kessler . . . 4267 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4267 coupling_constants 1 4267 heteronucl_NOEs 9 4267 heteronucl_T1_relaxation 3 4267 heteronucl_T2_relaxation 3 4267 order_parameters 1 4267 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 737 4267 '15N chemical shifts' 188 4267 '1H chemical shifts' 1266 4267 'coupling constants' 125 4267 'order parameters' 152 4267 'T1 relaxation values' 443 4267 'T2 relaxation values' 445 4267 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2000-08-15 . . BMRB 'chemical shift for LYS 135 CE corrected' 4267 1 . . 2011-03-03 . . BMRB 'sequence numbering corrected in several data loops' 4267 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4267 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99272561 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Coles, M., Diercks, T., Muehlenweg, B., Bartsch, S., Zoelzer, V., Tschesche, H., and Kessler, H., "The Solution Structure and Dynamics of Human Neutrophil Gelatinase-associated Lipocalin," J. Mol. Biol. 289, 139-157 (1999). ; _Citation.Title ; The Solution Strucuture and Dynamics of Human Neutrophil Gelatinase-associated Lipocalin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 289 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 139 _Citation.Page_last 157 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Murray Coles . . . 4267 1 2 Tammo Diercks . . . 4267 1 3 Bernd Muehlenweg . . . 4267 1 4 Stefan Bartsch . . . 4267 1 5 Volker Zoelzer . . . 4267 1 6 Harald Tschesche . . . 4267 1 7 Horst Kessler . . . 4267 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'coupling constants' 4267 1 lipocalin 4267 1 NGAL 4267 1 NMR 4267 1 protein 4267 1 'resonance assignment' 4267 1 'secondary structure' 4267 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_HNGAL _Assembly.Sf_category assembly _Assembly.Sf_framecode system_HNGAL _Assembly.Entry_ID 4267 _Assembly.ID 1 _Assembly.Name 'apo-HNGAL Human Neutrophil Gelatinase-Associated Lipocalin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'reduced and oxidized present' _Assembly.Molecular_mass 20660 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4267 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HNGAL 1 $HNGAL . . . native . . . . . 4267 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 77 77 SG . 1 . 1 CYS 176 176 SG . . . . . . . . . . 4267 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1DFV . 'Chain B, Crystal Structure Of Human Neutrophil Gelatinase Associated Lipocalin Monomer' . . . . 4267 1 yes PDB 1NGL . 'Chain A, Human Neutrophil Gelatinase-Associated Lipocalin (Hngal), Regularised Average Nmr Structure' . . . . 4267 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'apo-HNGAL Human Neutrophil Gelatinase-Associated Lipocalin' system 4267 1 HNGAL abbreviation 4267 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'chemotactic recognition' 4267 1 'multimeric matrix-metalloproteinase component' 4267 1 'small molecule transport' 4267 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HNGAL _Entity.Sf_category entity _Entity.Sf_framecode HNGAL _Entity.Entry_ID 4267 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HNGAL Human Neutrophil Gelatinase-Associated Lipocalin' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQDSTSDLIPAPPLSKVPLQ QNFQDNQFQGKWYVVGLAGN AILREDKDPQKMYATIYELK EDKSYNVTSVLFRKKKCDYW IRTFVPGCQPGEFTLGNIKS YPGLTSYLVRVVSTNYNQHA MVFFKKVSQNREYFKITLYG RTKELTSELKENFIRFSKSL GLPENHIVFPVPIDQCIDG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 179 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20660 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Construct contains the mature protein sequence, without N-terminal signal sequence, preceded by a N-terminal methionine. Residue numbering refers to the mature sequence with the methionine designated M0. Disulphide bridge C76-C175. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1DFV . "Crystal Structure Of Human Neutrophil Gelatinase Associated Lipocalin Monomer" . . . . . 98.88 177 100.00 100.00 2.12e-127 . . . . 4267 1 2 no PDB 1L6M . "Neutrophil Gelatinase-Associated Lipocalin Is A Novel Bacteriostatic Agent That Interferes With Siderophore- Mediated Iron Acqu" . . . . . 99.44 180 99.44 99.44 3.76e-127 . . . . 4267 1 3 no PDB 1NGL . "Human Neutrophil Gelatinase-Associated Lipocalin (Hngal), Regularised Average Nmr Structure" . . . . . 100.00 179 100.00 100.00 2.08e-129 . . . . 4267 1 4 no PDB 1QQS . "Neutrophil Gelatinase Associated Lipocalin Homodimer" . . . . . 97.21 174 97.70 97.70 4.45e-121 . . . . 4267 1 5 no PDB 1X71 . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) Complexed With Trencam-3,2-Hopo, A Cepabactin Analogue" . . . . . 99.44 178 99.44 99.44 3.29e-127 . . . . 4267 1 6 no PDB 1X89 . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) Complexed With Carboxymycobactin S" . . . . . 99.44 178 99.44 99.44 3.29e-127 . . . . 4267 1 7 no PDB 1X8U . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) Complexed With Carboxymycobactin T" . . . . . 99.44 178 99.44 99.44 3.29e-127 . . . . 4267 1 8 no PDB 3BY0 . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) W79a-R81a Complexed With Ferric Enterobactin" . . . . . 99.44 198 98.31 98.31 1.24e-124 . . . . 4267 1 9 no PDB 3CBC . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) Y106f Complexed With Ferric Enterobactin" . . . . . 99.44 198 98.88 99.44 1.53e-126 . . . . 4267 1 10 no PDB 3CMP . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) K125a Mutant Complexed With Ferric Enterobactin" . . . . . 99.44 198 98.88 98.88 1.67e-126 . . . . 4267 1 11 no PDB 3FW4 . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) Complexed With Ferric Catechol" . . . . . 99.44 178 99.44 99.44 3.29e-127 . . . . 4267 1 12 no PDB 3FW5 . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) Complexed With Ferric 4-Methyl-Catechol" . . . . . 99.44 178 99.44 99.44 3.29e-127 . . . . 4267 1 13 no PDB 3HWD . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) K125a-K Mutant Complexed With Ferric Enterobactin" . . . . . 99.44 198 98.31 98.31 6.70e-126 . . . . 4267 1 14 no PDB 3HWE . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) Complex Fe-Bishacam" . . . . . 99.44 198 99.44 99.44 4.26e-127 . . . . 4267 1 15 no PDB 3HWF . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) Complex Fe-Trencam2-Hopo" . . . . . 99.44 198 99.44 99.44 4.26e-127 . . . . 4267 1 16 no PDB 3HWG . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) Complex Fe-Trencam-Hopo2" . . . . . 99.44 198 99.44 99.44 4.26e-127 . . . . 4267 1 17 no PDB 3I0A . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) K134a M Complexed With Ferric Enterobactin" . . . . . 99.44 198 98.88 98.88 1.67e-126 . . . . 4267 1 18 no PDB 3K3L . "Crystal Structure Of Siderocalin (Ngal, Lipocalin 2) Complexed With Apo Enterobactin" . . . . . 99.44 178 99.44 99.44 3.29e-127 . . . . 4267 1 19 no PDB 3PEC . "Siderocalin Recognitin Of Carboxymycobactins: Interference By The Immune System In Intracellular Iron Acquisition By Mycobacter" . . . . . 99.44 178 99.44 99.44 3.29e-127 . . . . 4267 1 20 no PDB 3PED . "Siderocalin Recognitin Of Carboxymycobactins: Interference By The Immune System In Intracellular Iron Acquisition By Mycobacter" . . . . . 99.44 178 99.44 99.44 3.29e-127 . . . . 4267 1 21 no PDB 3T1D . "The Mutant Structure Of Human Siderocalin W79a, R81a, Y106f Bound To Enterobactin" . . . . . 99.44 198 97.75 98.31 4.45e-124 . . . . 4267 1 22 no PDB 3TF6 . "Crystal Structure Of Neutrophil Gelatinase-associated Lipocalin (c87s Mutant) In Complex With Europium And The Siderophore Anal" . . . . . 99.44 179 99.44 99.44 4.10e-127 . . . . 4267 1 23 no PDB 3TZS . "Crystal Structure Of Neutrophil Gelatinase-associated Lipocalin Ngal (c87s Mutant) In Complex With Fragment 1026, Phenylurea" . . . . . 99.44 183 99.44 99.44 4.51e-127 . . . . 4267 1 24 no PDB 3U03 . "The Structure Of Human Siderocalin Bound To The Bacterial Siderophore Pyochelin" . . . . . 99.44 198 99.44 99.44 4.26e-127 . . . . 4267 1 25 no PDB 3U0D . "The Structure Of Human Siderocalin Bound To The Bacterial Siderophore 2,3-dhba" . . . . . 99.44 198 99.44 99.44 4.26e-127 . . . . 4267 1 26 no PDB 4K19 . "The Structure Of Human Siderocalin Bound To The Bacterial Siderophore Fluvibactin" . . . . . 99.44 180 99.44 99.44 3.76e-127 . . . . 4267 1 27 no PDB 4ZFX . "Siderocalin-mediated Recognition And Cellular Uptake Of Actinides" . . . . . 99.44 180 99.44 99.44 3.76e-127 . . . . 4267 1 28 no PDB 4ZHC . "Siderocalin-mediated Recognition And Cellular Uptake Of Actinides" . . . . . 99.44 180 99.44 99.44 3.76e-127 . . . . 4267 1 29 no PDB 4ZHD . "Siderocalin-mediated Recognition And Cellular Uptake Of Actinides" . . . . . 99.44 180 99.44 99.44 3.76e-127 . . . . 4267 1 30 no PDB 4ZHF . "Siderocalin-mediated Recognition And Cellular Uptake Of Actinides" . . . . . 99.44 180 99.44 99.44 3.76e-127 . . . . 4267 1 31 no PDB 4ZHG . "Siderocalin-mediated Recognition And Cellular Uptake Of Actinides" . . . . . 99.44 180 99.44 99.44 3.76e-127 . . . . 4267 1 32 no PDB 4ZHH . "Siderocalin-mediated Recognition And Cellular Uptake Of Actinides" . . . . . 99.44 180 99.44 99.44 3.76e-127 . . . . 4267 1 33 no DBJ BAG63166 . "unnamed protein product [Homo sapiens]" . . . . . 99.44 198 97.19 97.19 5.04e-123 . . . . 4267 1 34 no DBJ BAH14588 . "unnamed protein product [Homo sapiens]" . . . . . 99.44 198 97.19 97.19 5.26e-123 . . . . 4267 1 35 no DBJ BAJ21166 . "lipocalin 2 [synthetic construct]" . . . . . 99.44 198 100.00 100.00 2.74e-128 . . . . 4267 1 36 no EMBL CAA58127 . "neutrophil gelatinase associated lipocalin [Homo sapiens]" . . . . . 99.44 198 100.00 100.00 2.74e-128 . . . . 4267 1 37 no EMBL CAA67574 . "NGAL [Homo sapiens]" . . . . . 99.44 198 99.44 99.44 3.04e-127 . . . . 4267 1 38 no EMBL CAG46889 . "LCN2 [Homo sapiens]" . . . . . 99.44 198 100.00 100.00 2.11e-128 . . . . 4267 1 39 no GB AAB26529 . "neutrophil gelatinase-associated lipocalin, NGAL [human, neutrophils, Peptide, 178 aa]" . . . . . 99.44 178 99.44 100.00 8.85e-128 . . . . 4267 1 40 no GB AAD14168 . "neutrophil lipocalin, partial [Homo sapiens]" . . . . . 99.44 178 100.00 100.00 2.49e-128 . . . . 4267 1 41 no GB AAH33089 . "Lipocalin 2 [Homo sapiens]" . . . . . 99.44 198 100.00 100.00 2.74e-128 . . . . 4267 1 42 no GB AAV38204 . "lipocalin 2 (oncogene 24p3) [synthetic construct]" . . . . . 99.44 199 100.00 100.00 2.43e-128 . . . . 4267 1 43 no GB AAX36313 . "lipocalin 2 [synthetic construct]" . . . . . 99.44 198 100.00 100.00 2.74e-128 . . . . 4267 1 44 no REF NP_005555 . "neutrophil gelatinase-associated lipocalin precursor [Homo sapiens]" . . . . . 99.44 198 100.00 100.00 2.74e-128 . . . . 4267 1 45 no REF XP_003822366 . "PREDICTED: neutrophil gelatinase-associated lipocalin [Pan paniscus]" . . . . . 99.44 198 99.44 99.44 9.78e-127 . . . . 4267 1 46 no REF XP_004048725 . "PREDICTED: neutrophil gelatinase-associated lipocalin [Gorilla gorilla gorilla]" . . . . . 99.44 198 99.44 99.44 4.26e-127 . . . . 4267 1 47 no REF XP_520287 . "PREDICTED: neutrophil gelatinase-associated lipocalin [Pan troglodytes]" . . . . . 99.44 198 98.88 99.44 3.05e-126 . . . . 4267 1 48 no SP P80188 . "RecName: Full=Neutrophil gelatinase-associated lipocalin; Short=NGAL; AltName: Full=25 kDa alpha-2-microglobulin-related subuni" . . . . . 99.44 198 100.00 100.00 2.74e-128 . . . . 4267 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HNGAL abbreviation 4267 1 'HNGAL Human Neutrophil Gelatinase-Associated Lipocalin' common 4267 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 MET . 4267 1 2 1 GLN . 4267 1 3 2 ASP . 4267 1 4 3 SER . 4267 1 5 4 THR . 4267 1 6 5 SER . 4267 1 7 6 ASP . 4267 1 8 7 LEU . 4267 1 9 8 ILE . 4267 1 10 9 PRO . 4267 1 11 10 ALA . 4267 1 12 11 PRO . 4267 1 13 12 PRO . 4267 1 14 13 LEU . 4267 1 15 14 SER . 4267 1 16 15 LYS . 4267 1 17 16 VAL . 4267 1 18 17 PRO . 4267 1 19 18 LEU . 4267 1 20 19 GLN . 4267 1 21 20 GLN . 4267 1 22 21 ASN . 4267 1 23 22 PHE . 4267 1 24 23 GLN . 4267 1 25 24 ASP . 4267 1 26 25 ASN . 4267 1 27 26 GLN . 4267 1 28 27 PHE . 4267 1 29 28 GLN . 4267 1 30 29 GLY . 4267 1 31 30 LYS . 4267 1 32 31 TRP . 4267 1 33 32 TYR . 4267 1 34 33 VAL . 4267 1 35 34 VAL . 4267 1 36 35 GLY . 4267 1 37 36 LEU . 4267 1 38 37 ALA . 4267 1 39 38 GLY . 4267 1 40 39 ASN . 4267 1 41 40 ALA . 4267 1 42 41 ILE . 4267 1 43 42 LEU . 4267 1 44 43 ARG . 4267 1 45 44 GLU . 4267 1 46 45 ASP . 4267 1 47 46 LYS . 4267 1 48 47 ASP . 4267 1 49 48 PRO . 4267 1 50 49 GLN . 4267 1 51 50 LYS . 4267 1 52 51 MET . 4267 1 53 52 TYR . 4267 1 54 53 ALA . 4267 1 55 54 THR . 4267 1 56 55 ILE . 4267 1 57 56 TYR . 4267 1 58 57 GLU . 4267 1 59 58 LEU . 4267 1 60 59 LYS . 4267 1 61 60 GLU . 4267 1 62 61 ASP . 4267 1 63 62 LYS . 4267 1 64 63 SER . 4267 1 65 64 TYR . 4267 1 66 65 ASN . 4267 1 67 66 VAL . 4267 1 68 67 THR . 4267 1 69 68 SER . 4267 1 70 69 VAL . 4267 1 71 70 LEU . 4267 1 72 71 PHE . 4267 1 73 72 ARG . 4267 1 74 73 LYS . 4267 1 75 74 LYS . 4267 1 76 75 LYS . 4267 1 77 76 CYS . 4267 1 78 77 ASP . 4267 1 79 78 TYR . 4267 1 80 79 TRP . 4267 1 81 80 ILE . 4267 1 82 81 ARG . 4267 1 83 82 THR . 4267 1 84 83 PHE . 4267 1 85 84 VAL . 4267 1 86 85 PRO . 4267 1 87 86 GLY . 4267 1 88 87 CYS . 4267 1 89 88 GLN . 4267 1 90 89 PRO . 4267 1 91 90 GLY . 4267 1 92 91 GLU . 4267 1 93 92 PHE . 4267 1 94 93 THR . 4267 1 95 94 LEU . 4267 1 96 95 GLY . 4267 1 97 96 ASN . 4267 1 98 97 ILE . 4267 1 99 98 LYS . 4267 1 100 99 SER . 4267 1 101 100 TYR . 4267 1 102 101 PRO . 4267 1 103 102 GLY . 4267 1 104 103 LEU . 4267 1 105 104 THR . 4267 1 106 105 SER . 4267 1 107 106 TYR . 4267 1 108 107 LEU . 4267 1 109 108 VAL . 4267 1 110 109 ARG . 4267 1 111 110 VAL . 4267 1 112 111 VAL . 4267 1 113 112 SER . 4267 1 114 113 THR . 4267 1 115 114 ASN . 4267 1 116 115 TYR . 4267 1 117 116 ASN . 4267 1 118 117 GLN . 4267 1 119 118 HIS . 4267 1 120 119 ALA . 4267 1 121 120 MET . 4267 1 122 121 VAL . 4267 1 123 122 PHE . 4267 1 124 123 PHE . 4267 1 125 124 LYS . 4267 1 126 125 LYS . 4267 1 127 126 VAL . 4267 1 128 127 SER . 4267 1 129 128 GLN . 4267 1 130 129 ASN . 4267 1 131 130 ARG . 4267 1 132 131 GLU . 4267 1 133 132 TYR . 4267 1 134 133 PHE . 4267 1 135 134 LYS . 4267 1 136 135 ILE . 4267 1 137 136 THR . 4267 1 138 137 LEU . 4267 1 139 138 TYR . 4267 1 140 139 GLY . 4267 1 141 140 ARG . 4267 1 142 141 THR . 4267 1 143 142 LYS . 4267 1 144 143 GLU . 4267 1 145 144 LEU . 4267 1 146 145 THR . 4267 1 147 146 SER . 4267 1 148 147 GLU . 4267 1 149 148 LEU . 4267 1 150 149 LYS . 4267 1 151 150 GLU . 4267 1 152 151 ASN . 4267 1 153 152 PHE . 4267 1 154 153 ILE . 4267 1 155 154 ARG . 4267 1 156 155 PHE . 4267 1 157 156 SER . 4267 1 158 157 LYS . 4267 1 159 158 SER . 4267 1 160 159 LEU . 4267 1 161 160 GLY . 4267 1 162 161 LEU . 4267 1 163 162 PRO . 4267 1 164 163 GLU . 4267 1 165 164 ASN . 4267 1 166 165 HIS . 4267 1 167 166 ILE . 4267 1 168 167 VAL . 4267 1 169 168 PHE . 4267 1 170 169 PRO . 4267 1 171 170 VAL . 4267 1 172 171 PRO . 4267 1 173 172 ILE . 4267 1 174 173 ASP . 4267 1 175 174 GLN . 4267 1 176 175 CYS . 4267 1 177 176 ILE . 4267 1 178 177 ASP . 4267 1 179 178 GLY . 4267 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4267 1 . GLN 2 2 4267 1 . ASP 3 3 4267 1 . SER 4 4 4267 1 . THR 5 5 4267 1 . SER 6 6 4267 1 . ASP 7 7 4267 1 . LEU 8 8 4267 1 . ILE 9 9 4267 1 . PRO 10 10 4267 1 . ALA 11 11 4267 1 . PRO 12 12 4267 1 . PRO 13 13 4267 1 . LEU 14 14 4267 1 . SER 15 15 4267 1 . LYS 16 16 4267 1 . VAL 17 17 4267 1 . PRO 18 18 4267 1 . LEU 19 19 4267 1 . GLN 20 20 4267 1 . GLN 21 21 4267 1 . ASN 22 22 4267 1 . PHE 23 23 4267 1 . GLN 24 24 4267 1 . ASP 25 25 4267 1 . ASN 26 26 4267 1 . GLN 27 27 4267 1 . PHE 28 28 4267 1 . GLN 29 29 4267 1 . GLY 30 30 4267 1 . LYS 31 31 4267 1 . TRP 32 32 4267 1 . TYR 33 33 4267 1 . VAL 34 34 4267 1 . VAL 35 35 4267 1 . GLY 36 36 4267 1 . LEU 37 37 4267 1 . ALA 38 38 4267 1 . GLY 39 39 4267 1 . ASN 40 40 4267 1 . ALA 41 41 4267 1 . ILE 42 42 4267 1 . LEU 43 43 4267 1 . ARG 44 44 4267 1 . GLU 45 45 4267 1 . ASP 46 46 4267 1 . LYS 47 47 4267 1 . ASP 48 48 4267 1 . PRO 49 49 4267 1 . GLN 50 50 4267 1 . LYS 51 51 4267 1 . MET 52 52 4267 1 . TYR 53 53 4267 1 . ALA 54 54 4267 1 . THR 55 55 4267 1 . ILE 56 56 4267 1 . TYR 57 57 4267 1 . GLU 58 58 4267 1 . LEU 59 59 4267 1 . LYS 60 60 4267 1 . GLU 61 61 4267 1 . ASP 62 62 4267 1 . LYS 63 63 4267 1 . SER 64 64 4267 1 . TYR 65 65 4267 1 . ASN 66 66 4267 1 . VAL 67 67 4267 1 . THR 68 68 4267 1 . SER 69 69 4267 1 . VAL 70 70 4267 1 . LEU 71 71 4267 1 . PHE 72 72 4267 1 . ARG 73 73 4267 1 . LYS 74 74 4267 1 . LYS 75 75 4267 1 . LYS 76 76 4267 1 . CYS 77 77 4267 1 . ASP 78 78 4267 1 . TYR 79 79 4267 1 . TRP 80 80 4267 1 . ILE 81 81 4267 1 . ARG 82 82 4267 1 . THR 83 83 4267 1 . PHE 84 84 4267 1 . VAL 85 85 4267 1 . PRO 86 86 4267 1 . GLY 87 87 4267 1 . CYS 88 88 4267 1 . GLN 89 89 4267 1 . PRO 90 90 4267 1 . GLY 91 91 4267 1 . GLU 92 92 4267 1 . PHE 93 93 4267 1 . THR 94 94 4267 1 . LEU 95 95 4267 1 . GLY 96 96 4267 1 . ASN 97 97 4267 1 . ILE 98 98 4267 1 . LYS 99 99 4267 1 . SER 100 100 4267 1 . TYR 101 101 4267 1 . PRO 102 102 4267 1 . GLY 103 103 4267 1 . LEU 104 104 4267 1 . THR 105 105 4267 1 . SER 106 106 4267 1 . TYR 107 107 4267 1 . LEU 108 108 4267 1 . VAL 109 109 4267 1 . ARG 110 110 4267 1 . VAL 111 111 4267 1 . VAL 112 112 4267 1 . SER 113 113 4267 1 . THR 114 114 4267 1 . ASN 115 115 4267 1 . TYR 116 116 4267 1 . ASN 117 117 4267 1 . GLN 118 118 4267 1 . HIS 119 119 4267 1 . ALA 120 120 4267 1 . MET 121 121 4267 1 . VAL 122 122 4267 1 . PHE 123 123 4267 1 . PHE 124 124 4267 1 . LYS 125 125 4267 1 . LYS 126 126 4267 1 . VAL 127 127 4267 1 . SER 128 128 4267 1 . GLN 129 129 4267 1 . ASN 130 130 4267 1 . ARG 131 131 4267 1 . GLU 132 132 4267 1 . TYR 133 133 4267 1 . PHE 134 134 4267 1 . LYS 135 135 4267 1 . ILE 136 136 4267 1 . THR 137 137 4267 1 . LEU 138 138 4267 1 . TYR 139 139 4267 1 . GLY 140 140 4267 1 . ARG 141 141 4267 1 . THR 142 142 4267 1 . LYS 143 143 4267 1 . GLU 144 144 4267 1 . LEU 145 145 4267 1 . THR 146 146 4267 1 . SER 147 147 4267 1 . GLU 148 148 4267 1 . LEU 149 149 4267 1 . LYS 150 150 4267 1 . GLU 151 151 4267 1 . ASN 152 152 4267 1 . PHE 153 153 4267 1 . ILE 154 154 4267 1 . ARG 155 155 4267 1 . PHE 156 156 4267 1 . SER 157 157 4267 1 . LYS 158 158 4267 1 . SER 159 159 4267 1 . LEU 160 160 4267 1 . GLY 161 161 4267 1 . LEU 162 162 4267 1 . PRO 163 163 4267 1 . GLU 164 164 4267 1 . ASN 165 165 4267 1 . HIS 166 166 4267 1 . ILE 167 167 4267 1 . VAL 168 168 4267 1 . PHE 169 169 4267 1 . PRO 170 170 4267 1 . VAL 171 171 4267 1 . PRO 172 172 4267 1 . ILE 173 173 4267 1 . ASP 174 174 4267 1 . GLN 175 175 4267 1 . CYS 176 176 4267 1 . ILE 177 177 4267 1 . ASP 178 178 4267 1 . GLY 179 179 4267 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4267 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HNGAL . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4267 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 4267 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HNGAL . 'recombinant technology' 'Bl21[DE3] Escherichia' 'E. coli' . . Bl21[DE3] Escherichia coli . . . . . . . . . . . . plasmid . . pET11a . . . 'Expression controlled with the T7 lac promoter' . . 4267 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_HNGAL_sample_N15 _Sample.Sf_category sample _Sample.Sf_framecode HNGAL_sample_N15 _Sample.Entry_ID 4267 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N labelled sample, unliganded HNGAL.' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HNGAL Human Neutrophil Gelatinase-Associated Lipocalin' [U-15N] . . 1 $HNGAL . . 1.43 . . mM . . . . 4267 1 2 'sodium acetate' . . . . . . . 50 . . mM . . . . 4267 1 3 'acetic acid' . . . . . . . 50 . . mM . . . . 4267 1 4 'sodium chloride' . . . . . . . 50 . . mM . . . . 4267 1 5 'sodium azide' . . . . . . . 0.02 . . % . . . . 4267 1 6 D2O . . . . . . . 10.0 . . % . . . . 4267 1 7 H2O . . . . . . . 90.0 . . % . . . . 4267 1 stop_ save_ save_HNGAL_sample_dl _Sample.Sf_category sample _Sample.Sf_framecode HNGAL_sample_dl _Sample.Entry_ID 4267 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Uniformly 15N,13C labelled sample, unliganded HNGAL.' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HNGAL Human Neutrophil Gelatinase-Associated Lipocalin' '[U-15N; U-13C]' . . 1 $HNGAL . . 1.15 . . mM . . . . 4267 2 2 'sodium acetate' . . . . . . . 50 . . mM . . . . 4267 2 3 'acetic acid' . . . . . . . 50 . . mM . . . . 4267 2 4 'sodium chloride' . . . . . . . 50 . . mM . . . . 4267 2 5 'sodium azide' . . . . . . . 0.02 . . % . . . . 4267 2 6 D2O . . . . . . . 10.0 . . % . . . . 4267 2 7 H2O . . . . . . . 90.0 . . % . . . . 4267 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_all _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_all _Sample_condition_list.Entry_ID 4267 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . n/a 4267 1 temperature 298 . K 4267 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_label_750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_label_750 _NMR_spectrometer.Entry_ID 4267 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'four channel, three gradient, triple resonance' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_label_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_label_600 _NMR_spectrometer.Entry_ID 4267 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'four channel, three gradient, triple resonance' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4267 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_label_750 Bruker DMX . 750 'four channel, three gradient, triple resonance' . . 4267 1 2 NMR_spectrometer_label_600 Bruker DMX . 600 'four channel, three gradient, triple resonance' . . 4267 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4267 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . . . . . . 1 $sample_conditions_all . . . . . . . . . . . . . . . . . . . . . 4267 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4267 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'Internal TMS referencing for proton, 15N and 13C by frequency ratio' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl protons' . . . . ppm 0.0 . indirect 0.25144953 . . . . . . . . . 4267 1 H 1 TMS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4267 1 N 15 TMS 'methyl protons' . . . . ppm 0.0 . indirect 0.10132912 . . . . . . . . . 4267 1 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4267 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_all _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Many methylene and valine/luecine methyl groups have been stereospecifically assigned. those not stereo-assigned are given ambiguity code 2 even where HB2,HB3 etc. are stated as having different shifts. Glycine HA pairs are steroassigned (exception G178). ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $HNGAL_sample_N15 . 4267 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.14 . . 1 . . . . . . . . 4267 1 2 . 1 1 1 1 MET HE2 H 1 2.14 . . 1 . . . . . . . . 4267 1 3 . 1 1 1 1 MET HE3 H 1 2.14 . . 1 . . . . . . . . 4267 1 4 . 1 1 1 1 MET CE C 13 16.6 . . 1 . . . . . . . . 4267 1 5 . 1 1 2 2 GLN HA H 1 4.41 . . 1 . . . . . . . . 4267 1 6 . 1 1 2 2 GLN HB2 H 1 2.09 . . 1 . . . . . . . . 4267 1 7 . 1 1 2 2 GLN HB3 H 1 2.09 . . 1 . . . . . . . . 4267 1 8 . 1 1 2 2 GLN HG2 H 1 2.33 . . 1 . . . . . . . . 4267 1 9 . 1 1 2 2 GLN HG3 H 1 2.33 . . 1 . . . . . . . . 4267 1 10 . 1 1 2 2 GLN C C 13 178.11 . . 1 . . . . . . . . 4267 1 11 . 1 1 2 2 GLN CA C 13 55.71 . . 1 . . . . . . . . 4267 1 12 . 1 1 2 2 GLN CB C 13 29.53 . . 1 . . . . . . . . 4267 1 13 . 1 1 3 3 ASP H H 1 8.58 . . 1 . . . . . . . . 4267 1 14 . 1 1 3 3 ASP HA H 1 4.64 . . 1 . . . . . . . . 4267 1 15 . 1 1 3 3 ASP HB2 H 1 2.72 . . 2 . . . . . . . . 4267 1 16 . 1 1 3 3 ASP HB3 H 1 2.66 . . 2 . . . . . . . . 4267 1 17 . 1 1 3 3 ASP C C 13 176.41 . . 1 . . . . . . . . 4267 1 18 . 1 1 3 3 ASP CA C 13 54.22 . . 1 . . . . . . . . 4267 1 19 . 1 1 3 3 ASP CB C 13 41.19 . . 1 . . . . . . . . 4267 1 20 . 1 1 3 3 ASP N N 15 122.81 . . 1 . . . . . . . . 4267 1 21 . 1 1 4 4 SER H H 1 8.51 . . 1 . . . . . . . . 4267 1 22 . 1 1 4 4 SER HA H 1 4.55 . . 1 . . . . . . . . 4267 1 23 . 1 1 4 4 SER HB2 H 1 3.94 . . 1 . . . . . . . . 4267 1 24 . 1 1 4 4 SER HB3 H 1 3.94 . . 1 . . . . . . . . 4267 1 25 . 1 1 4 4 SER C C 13 175.11 . . 1 . . . . . . . . 4267 1 26 . 1 1 4 4 SER CA C 13 58.42 . . 1 . . . . . . . . 4267 1 27 . 1 1 4 4 SER CB C 13 63.58 . . 1 . . . . . . . . 4267 1 28 . 1 1 4 4 SER N N 15 116.81 . . 1 . . . . . . . . 4267 1 29 . 1 1 5 5 THR H H 1 8.38 . . 1 . . . . . . . . 4267 1 30 . 1 1 5 5 THR HA H 1 4.41 . . 1 . . . . . . . . 4267 1 31 . 1 1 5 5 THR HB H 1 4.34 . . 1 . . . . . . . . 4267 1 32 . 1 1 5 5 THR HG21 H 1 1.26 . . 1 . . . . . . . . 4267 1 33 . 1 1 5 5 THR HG22 H 1 1.26 . . 1 . . . . . . . . 4267 1 34 . 1 1 5 5 THR HG23 H 1 1.26 . . 1 . . . . . . . . 4267 1 35 . 1 1 5 5 THR C C 13 174.81 . . 1 . . . . . . . . 4267 1 36 . 1 1 5 5 THR CA C 13 62.03 . . 1 . . . . . . . . 4267 1 37 . 1 1 5 5 THR CB C 13 69.52 . . 1 . . . . . . . . 4267 1 38 . 1 1 5 5 THR CG2 C 13 22.30 . . 1 . . . . . . . . 4267 1 39 . 1 1 5 5 THR N N 15 115.32 . . 1 . . . . . . . . 4267 1 40 . 1 1 6 6 SER H H 1 8.26 . . 1 . . . . . . . . 4267 1 41 . 1 1 6 6 SER HA H 1 4.50 . . 1 . . . . . . . . 4267 1 42 . 1 1 6 6 SER HB2 H 1 3.92 . . 1 . . . . . . . . 4267 1 43 . 1 1 6 6 SER HB3 H 1 3.92 . . 1 . . . . . . . . 4267 1 44 . 1 1 6 6 SER C C 13 174.17 . . 1 . . . . . . . . 4267 1 45 . 1 1 6 6 SER CA C 13 58.34 . . 1 . . . . . . . . 4267 1 46 . 1 1 6 6 SER CB C 13 63.73 . . 1 . . . . . . . . 4267 1 47 . 1 1 6 6 SER N N 15 117.63 . . 1 . . . . . . . . 4267 1 48 . 1 1 7 7 ASP H H 1 8.32 . . 1 . . . . . . . . 4267 1 49 . 1 1 7 7 ASP HA H 1 4.64 . . 1 . . . . . . . . 4267 1 50 . 1 1 7 7 ASP HB2 H 1 2.65 . . 2 . . . . . . . . 4267 1 51 . 1 1 7 7 ASP HB3 H 1 2.72 . . 2 . . . . . . . . 4267 1 52 . 1 1 7 7 ASP C C 13 175.75 . . 1 . . . . . . . . 4267 1 53 . 1 1 7 7 ASP CA C 13 54.19 . . 1 . . . . . . . . 4267 1 54 . 1 1 7 7 ASP CB C 13 40.95 . . 1 . . . . . . . . 4267 1 55 . 1 1 7 7 ASP N N 15 122.50 . . 1 . . . . . . . . 4267 1 56 . 1 1 8 8 LEU H H 1 8.06 . . 1 . . . . . . . . 4267 1 57 . 1 1 8 8 LEU HA H 1 4.55 . . 1 . . . . . . . . 4267 1 58 . 1 1 8 8 LEU HB2 H 1 1.55 . . 2 . . . . . . . . 4267 1 59 . 1 1 8 8 LEU HB3 H 1 1.54 . . 2 . . . . . . . . 4267 1 60 . 1 1 8 8 LEU HG H 1 1.57 . . 1 . . . . . . . . 4267 1 61 . 1 1 8 8 LEU HD11 H 1 0.71 . . 2 . . . . . . . . 4267 1 62 . 1 1 8 8 LEU HD12 H 1 0.71 . . 2 . . . . . . . . 4267 1 63 . 1 1 8 8 LEU HD13 H 1 0.71 . . 2 . . . . . . . . 4267 1 64 . 1 1 8 8 LEU HD21 H 1 0.76 . . 2 . . . . . . . . 4267 1 65 . 1 1 8 8 LEU HD22 H 1 0.76 . . 2 . . . . . . . . 4267 1 66 . 1 1 8 8 LEU HD23 H 1 0.76 . . 2 . . . . . . . . 4267 1 67 . 1 1 8 8 LEU C C 13 177.42 . . 1 . . . . . . . . 4267 1 68 . 1 1 8 8 LEU CA C 13 54.05 . . 1 . . . . . . . . 4267 1 69 . 1 1 8 8 LEU CB C 13 43.33 . . 1 . . . . . . . . 4267 1 70 . 1 1 8 8 LEU CG C 13 27.3 . . 1 . . . . . . . . 4267 1 71 . 1 1 8 8 LEU CD1 C 13 24.5 . . 2 . . . . . . . . 4267 1 72 . 1 1 8 8 LEU CD2 C 13 23.8 . . 2 . . . . . . . . 4267 1 73 . 1 1 8 8 LEU N N 15 122.64 . . 1 . . . . . . . . 4267 1 74 . 1 1 9 9 ILE H H 1 8.85 . . 1 . . . . . . . . 4267 1 75 . 1 1 9 9 ILE HA H 1 4.27 . . 1 . . . . . . . . 4267 1 76 . 1 1 9 9 ILE HB H 1 1.66 . . 1 . . . . . . . . 4267 1 77 . 1 1 9 9 ILE HG12 H 1 1.40 . . 2 . . . . . . . . 4267 1 78 . 1 1 9 9 ILE HG13 H 1 1.19 . . 2 . . . . . . . . 4267 1 79 . 1 1 9 9 ILE HG21 H 1 1.17 . . 1 . . . . . . . . 4267 1 80 . 1 1 9 9 ILE HG22 H 1 1.17 . . 1 . . . . . . . . 4267 1 81 . 1 1 9 9 ILE HG23 H 1 1.17 . . 1 . . . . . . . . 4267 1 82 . 1 1 9 9 ILE HD11 H 1 0.74 . . 1 . . . . . . . . 4267 1 83 . 1 1 9 9 ILE HD12 H 1 0.74 . . 1 . . . . . . . . 4267 1 84 . 1 1 9 9 ILE HD13 H 1 0.74 . . 1 . . . . . . . . 4267 1 85 . 1 1 9 9 ILE CA C 13 59.64 . . 1 . . . . . . . . 4267 1 86 . 1 1 9 9 ILE CB C 13 39.72 . . 1 . . . . . . . . 4267 1 87 . 1 1 9 9 ILE CG1 C 13 24.1 . . 1 . . . . . . . . 4267 1 88 . 1 1 9 9 ILE CG2 C 13 16.0 . . 1 . . . . . . . . 4267 1 89 . 1 1 9 9 ILE CD1 C 13 13.7 . . 1 . . . . . . . . 4267 1 90 . 1 1 9 9 ILE N N 15 128.27 . . 1 . . . . . . . . 4267 1 91 . 1 1 10 10 PRO HA H 1 4.48 . . 1 . . . . . . . . 4267 1 92 . 1 1 10 10 PRO HB2 H 1 1.84 . . 1 . . . . . . . . 4267 1 93 . 1 1 10 10 PRO HB3 H 1 2.28 . . 1 . . . . . . . . 4267 1 94 . 1 1 10 10 PRO HG2 H 1 2.10 . . 2 . . . . . . . . 4267 1 95 . 1 1 10 10 PRO HG3 H 1 2.03 . . 2 . . . . . . . . 4267 1 96 . 1 1 10 10 PRO HD2 H 1 3.92 . . 2 . . . . . . . . 4267 1 97 . 1 1 10 10 PRO HD3 H 1 3.75 . . 2 . . . . . . . . 4267 1 98 . 1 1 10 10 PRO C C 13 175.85 . . 1 . . . . . . . . 4267 1 99 . 1 1 10 10 PRO CA C 13 62.28 . . 1 . . . . . . . . 4267 1 100 . 1 1 10 10 PRO CB C 13 32.15 . . 1 . . . . . . . . 4267 1 101 . 1 1 10 10 PRO CG C 13 27.4 . . 1 . . . . . . . . 4267 1 102 . 1 1 10 10 PRO CD C 13 51.1 . . 1 . . . . . . . . 4267 1 103 . 1 1 11 11 ALA H H 1 8.50 . . 1 . . . . . . . . 4267 1 104 . 1 1 11 11 ALA HA H 1 3.92 . . 1 . . . . . . . . 4267 1 105 . 1 1 11 11 ALA HB1 H 1 1.06 . . 1 . . . . . . . . 4267 1 106 . 1 1 11 11 ALA HB2 H 1 1.06 . . 1 . . . . . . . . 4267 1 107 . 1 1 11 11 ALA HB3 H 1 1.06 . . 1 . . . . . . . . 4267 1 108 . 1 1 11 11 ALA CA C 13 49.60 . . 1 . . . . . . . . 4267 1 109 . 1 1 11 11 ALA CB C 13 16.28 . . 1 . . . . . . . . 4267 1 110 . 1 1 11 11 ALA N N 15 121.75 . . 1 . . . . . . . . 4267 1 111 . 1 1 12 12 PRO HA H 1 4.59 . . 1 . . . . . . . . 4267 1 112 . 1 1 12 12 PRO HB2 H 1 1.97 . . 2 . . . . . . . . 4267 1 113 . 1 1 12 12 PRO HB3 H 1 1.87 . . 2 . . . . . . . . 4267 1 114 . 1 1 12 12 PRO HG2 H 1 1.52 . . 1 . . . . . . . . 4267 1 115 . 1 1 12 12 PRO HG3 H 1 1.52 . . 1 . . . . . . . . 4267 1 116 . 1 1 12 12 PRO HD2 H 1 2.48 . . 2 . . . . . . . . 4267 1 117 . 1 1 12 12 PRO HD3 H 1 2.26 . . 2 . . . . . . . . 4267 1 118 . 1 1 12 12 PRO CA C 13 59.9 . . 1 . . . . . . . . 4267 1 119 . 1 1 12 12 PRO CG C 13 26.8 . . 1 . . . . . . . . 4267 1 120 . 1 1 12 12 PRO CD C 13 48.0 . . 1 . . . . . . . . 4267 1 121 . 1 1 13 13 PRO HA H 1 4.36 . . 1 . . . . . . . . 4267 1 122 . 1 1 13 13 PRO HB2 H 1 2.24 . . 2 . . . . . . . . 4267 1 123 . 1 1 13 13 PRO HB3 H 1 1.90 . . 2 . . . . . . . . 4267 1 124 . 1 1 13 13 PRO HG2 H 1 1.55 . . 2 . . . . . . . . 4267 1 125 . 1 1 13 13 PRO HG3 H 1 1.94 . . 2 . . . . . . . . 4267 1 126 . 1 1 13 13 PRO HD2 H 1 3.70 . . 2 . . . . . . . . 4267 1 127 . 1 1 13 13 PRO HD3 H 1 3.34 . . 2 . . . . . . . . 4267 1 128 . 1 1 13 13 PRO C C 13 178.11 . . 1 . . . . . . . . 4267 1 129 . 1 1 13 13 PRO CA C 13 61.93 . . 1 . . . . . . . . 4267 1 130 . 1 1 13 13 PRO CB C 13 31.19 . . 1 . . . . . . . . 4267 1 131 . 1 1 13 13 PRO CG C 13 30.1 . . 1 . . . . . . . . 4267 1 132 . 1 1 13 13 PRO CD C 13 49.66 . . 1 . . . . . . . . 4267 1 133 . 1 1 14 14 LEU H H 1 8.52 . . 1 . . . . . . . . 4267 1 134 . 1 1 14 14 LEU HA H 1 3.62 . . 1 . . . . . . . . 4267 1 135 . 1 1 14 14 LEU HB2 H 1 1.38 . . 1 . . . . . . . . 4267 1 136 . 1 1 14 14 LEU HB3 H 1 1.68 . . 1 . . . . . . . . 4267 1 137 . 1 1 14 14 LEU HG H 1 1.74 . . 1 . . . . . . . . 4267 1 138 . 1 1 14 14 LEU HD11 H 1 0.65 . . 2 . . . . . . . . 4267 1 139 . 1 1 14 14 LEU HD12 H 1 0.65 . . 2 . . . . . . . . 4267 1 140 . 1 1 14 14 LEU HD13 H 1 0.65 . . 2 . . . . . . . . 4267 1 141 . 1 1 14 14 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4267 1 142 . 1 1 14 14 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4267 1 143 . 1 1 14 14 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4267 1 144 . 1 1 14 14 LEU C C 13 178.65 . . 1 . . . . . . . . 4267 1 145 . 1 1 14 14 LEU CA C 13 56.88 . . 1 . . . . . . . . 4267 1 146 . 1 1 14 14 LEU CB C 13 40.24 . . 1 . . . . . . . . 4267 1 147 . 1 1 14 14 LEU CG C 13 26.7 . . 1 . . . . . . . . 4267 1 148 . 1 1 14 14 LEU CD1 C 13 22.9 . . 2 . . . . . . . . 4267 1 149 . 1 1 14 14 LEU CD2 C 13 24.8 . . 2 . . . . . . . . 4267 1 150 . 1 1 14 14 LEU N N 15 122.64 . . 1 . . . . . . . . 4267 1 151 . 1 1 15 15 SER H H 1 7.87 . . 1 . . . . . . . . 4267 1 152 . 1 1 15 15 SER HA H 1 4.04 . . 1 . . . . . . . . 4267 1 153 . 1 1 15 15 SER HB2 H 1 3.92 . . 2 . . . . . . . . 4267 1 154 . 1 1 15 15 SER HB3 H 1 3.83 . . 2 . . . . . . . . 4267 1 155 . 1 1 15 15 SER C C 13 176.04 . . 1 . . . . . . . . 4267 1 156 . 1 1 15 15 SER CA C 13 59.61 . . 1 . . . . . . . . 4267 1 157 . 1 1 15 15 SER CB C 13 61.66 . . 1 . . . . . . . . 4267 1 158 . 1 1 15 15 SER N N 15 112.28 . . 1 . . . . . . . . 4267 1 159 . 1 1 16 16 LYS H H 1 7.60 . . 1 . . . . . . . . 4267 1 160 . 1 1 16 16 LYS HA H 1 4.22 . . 1 . . . . . . . . 4267 1 161 . 1 1 16 16 LYS HB2 H 1 1.57 . . 1 . . . . . . . . 4267 1 162 . 1 1 16 16 LYS HB3 H 1 1.86 . . 1 . . . . . . . . 4267 1 163 . 1 1 16 16 LYS HG2 H 1 1.33 . . 1 . . . . . . . . 4267 1 164 . 1 1 16 16 LYS HG3 H 1 1.33 . . 1 . . . . . . . . 4267 1 165 . 1 1 16 16 LYS HD2 H 1 1.91 . . 1 . . . . . . . . 4267 1 166 . 1 1 16 16 LYS HD3 H 1 1.91 . . 1 . . . . . . . . 4267 1 167 . 1 1 16 16 LYS HE2 H 1 3.77 . . 1 . . . . . . . . 4267 1 168 . 1 1 16 16 LYS HE3 H 1 3.77 . . 1 . . . . . . . . 4267 1 169 . 1 1 16 16 LYS C C 13 174.48 . . 1 . . . . . . . . 4267 1 170 . 1 1 16 16 LYS CA C 13 55.79 . . 1 . . . . . . . . 4267 1 171 . 1 1 16 16 LYS CB C 13 32.62 . . 1 . . . . . . . . 4267 1 172 . 1 1 16 16 LYS CG C 13 24.1 . . 1 . . . . . . . . 4267 1 173 . 1 1 16 16 LYS CE C 13 46.2 . . 1 . . . . . . . . 4267 1 174 . 1 1 16 16 LYS N N 15 120.22 . . 1 . . . . . . . . 4267 1 175 . 1 1 17 17 VAL H H 1 7.40 . . 1 . . . . . . . . 4267 1 176 . 1 1 17 17 VAL HA H 1 4.27 . . 1 . . . . . . . . 4267 1 177 . 1 1 17 17 VAL HB H 1 1.72 . . 1 . . . . . . . . 4267 1 178 . 1 1 17 17 VAL HG11 H 1 0.40 . . 1 . . . . . . . . 4267 1 179 . 1 1 17 17 VAL HG12 H 1 0.40 . . 1 . . . . . . . . 4267 1 180 . 1 1 17 17 VAL HG13 H 1 0.40 . . 1 . . . . . . . . 4267 1 181 . 1 1 17 17 VAL HG21 H 1 -0.14 . . 1 . . . . . . . . 4267 1 182 . 1 1 17 17 VAL HG22 H 1 -0.14 . . 1 . . . . . . . . 4267 1 183 . 1 1 17 17 VAL HG23 H 1 -0.14 . . 1 . . . . . . . . 4267 1 184 . 1 1 17 17 VAL CA C 13 59.05 . . 1 . . . . . . . . 4267 1 185 . 1 1 17 17 VAL CB C 13 31.22 . . 1 . . . . . . . . 4267 1 186 . 1 1 17 17 VAL CG1 C 13 22.6 . . 1 . . . . . . . . 4267 1 187 . 1 1 17 17 VAL CG2 C 13 19.0 . . 1 . . . . . . . . 4267 1 188 . 1 1 17 17 VAL N N 15 120.27 . . 1 . . . . . . . . 4267 1 189 . 1 1 18 18 PRO HA H 1 4.21 . . 1 . . . . . . . . 4267 1 190 . 1 1 18 18 PRO HB2 H 1 2.28 . . 1 . . . . . . . . 4267 1 191 . 1 1 18 18 PRO HB3 H 1 1.76 . . 1 . . . . . . . . 4267 1 192 . 1 1 18 18 PRO HG2 H 1 1.87 . . 1 . . . . . . . . 4267 1 193 . 1 1 18 18 PRO HG3 H 1 1.87 . . 1 . . . . . . . . 4267 1 194 . 1 1 18 18 PRO HD2 H 1 4.23 . . 2 . . . . . . . . 4267 1 195 . 1 1 18 18 PRO HD3 H 1 3.46 . . 2 . . . . . . . . 4267 1 196 . 1 1 18 18 PRO C C 13 171.63 . . 1 . . . . . . . . 4267 1 197 . 1 1 18 18 PRO CA C 13 62.85 . . 1 . . . . . . . . 4267 1 198 . 1 1 18 18 PRO CB C 13 32.02 . . 1 . . . . . . . . 4267 1 199 . 1 1 18 18 PRO CG C 13 26.9 . . 1 . . . . . . . . 4267 1 200 . 1 1 18 18 PRO CD C 13 51.26 . . 1 . . . . . . . . 4267 1 201 . 1 1 19 19 LEU H H 1 7.40 . . 1 . . . . . . . . 4267 1 202 . 1 1 19 19 LEU HA H 1 4.64 . . 1 . . . . . . . . 4267 1 203 . 1 1 19 19 LEU HB2 H 1 1.50 . . 1 . . . . . . . . 4267 1 204 . 1 1 19 19 LEU HB3 H 1 0.98 . . 1 . . . . . . . . 4267 1 205 . 1 1 19 19 LEU HG H 1 1.52 . . 1 . . . . . . . . 4267 1 206 . 1 1 19 19 LEU HD11 H 1 0.69 . . 1 . . . . . . . . 4267 1 207 . 1 1 19 19 LEU HD12 H 1 0.69 . . 1 . . . . . . . . 4267 1 208 . 1 1 19 19 LEU HD13 H 1 0.69 . . 1 . . . . . . . . 4267 1 209 . 1 1 19 19 LEU HD21 H 1 0.69 . . 1 . . . . . . . . 4267 1 210 . 1 1 19 19 LEU HD22 H 1 0.69 . . 1 . . . . . . . . 4267 1 211 . 1 1 19 19 LEU HD23 H 1 0.69 . . 1 . . . . . . . . 4267 1 212 . 1 1 19 19 LEU C C 13 177.27 . . 1 . . . . . . . . 4267 1 213 . 1 1 19 19 LEU CA C 13 51.94 . . 1 . . . . . . . . 4267 1 214 . 1 1 19 19 LEU CB C 13 46.05 . . 1 . . . . . . . . 4267 1 215 . 1 1 19 19 LEU CG C 13 27.2 . . 1 . . . . . . . . 4267 1 216 . 1 1 19 19 LEU CD1 C 13 25.8 . . 2 . . . . . . . . 4267 1 217 . 1 1 19 19 LEU CD2 C 13 26.0 . . 2 . . . . . . . . 4267 1 218 . 1 1 19 19 LEU N N 15 116.94 . . 1 . . . . . . . . 4267 1 219 . 1 1 20 20 GLN H H 1 8.52 . . 1 . . . . . . . . 4267 1 220 . 1 1 20 20 GLN HA H 1 3.94 . . 1 . . . . . . . . 4267 1 221 . 1 1 20 20 GLN HB2 H 1 1.83 . . 1 . . . . . . . . 4267 1 222 . 1 1 20 20 GLN HB3 H 1 1.58 . . 1 . . . . . . . . 4267 1 223 . 1 1 20 20 GLN HG2 H 1 2.29 . . 1 . . . . . . . . 4267 1 224 . 1 1 20 20 GLN HG3 H 1 2.29 . . 1 . . . . . . . . 4267 1 225 . 1 1 20 20 GLN HE21 H 1 8.15 . . 1 . . . . . . . . 4267 1 226 . 1 1 20 20 GLN HE22 H 1 7.03 . . 1 . . . . . . . . 4267 1 227 . 1 1 20 20 GLN C C 13 174.86 . . 1 . . . . . . . . 4267 1 228 . 1 1 20 20 GLN CA C 13 55.38 . . 1 . . . . . . . . 4267 1 229 . 1 1 20 20 GLN CB C 13 28.43 . . 1 . . . . . . . . 4267 1 230 . 1 1 20 20 GLN N N 15 127.49 . . 1 . . . . . . . . 4267 1 231 . 1 1 20 20 GLN NE2 N 15 116.16 . . 1 . . . . . . . . 4267 1 232 . 1 1 21 21 GLN H H 1 8.94 . . 1 . . . . . . . . 4267 1 233 . 1 1 21 21 GLN HA H 1 4.13 . . 1 . . . . . . . . 4267 1 234 . 1 1 21 21 GLN HB2 H 1 2.10 . . 1 . . . . . . . . 4267 1 235 . 1 1 21 21 GLN HB3 H 1 2.10 . . 1 . . . . . . . . 4267 1 236 . 1 1 21 21 GLN HG2 H 1 2.50 . . 1 . . . . . . . . 4267 1 237 . 1 1 21 21 GLN HG3 H 1 2.50 . . 1 . . . . . . . . 4267 1 238 . 1 1 21 21 GLN HE21 H 1 7.57 . . 1 . . . . . . . . 4267 1 239 . 1 1 21 21 GLN HE22 H 1 6.95 . . 1 . . . . . . . . 4267 1 240 . 1 1 21 21 GLN C C 13 176.78 . . 1 . . . . . . . . 4267 1 241 . 1 1 21 21 GLN CA C 13 56.16 . . 1 . . . . . . . . 4267 1 242 . 1 1 21 21 GLN CB C 13 29.05 . . 1 . . . . . . . . 4267 1 243 . 1 1 21 21 GLN CG C 13 33.59 . . 1 . . . . . . . . 4267 1 244 . 1 1 21 21 GLN CD C 13 180.46 . . 1 . . . . . . . . 4267 1 245 . 1 1 21 21 GLN N N 15 130.35 . . 1 . . . . . . . . 4267 1 246 . 1 1 21 21 GLN NE2 N 15 112.84 . . 1 . . . . . . . . 4267 1 247 . 1 1 22 22 ASN H H 1 9.23 . . 1 . . . . . . . . 4267 1 248 . 1 1 22 22 ASN HA H 1 4.48 . . 1 . . . . . . . . 4267 1 249 . 1 1 22 22 ASN HB2 H 1 3.07 . . 1 . . . . . . . . 4267 1 250 . 1 1 22 22 ASN HB3 H 1 2.74 . . 1 . . . . . . . . 4267 1 251 . 1 1 22 22 ASN HD21 H 1 7.69 . . 1 . . . . . . . . 4267 1 252 . 1 1 22 22 ASN HD22 H 1 6.96 . . 1 . . . . . . . . 4267 1 253 . 1 1 22 22 ASN C C 13 175.30 . . 1 . . . . . . . . 4267 1 254 . 1 1 22 22 ASN CA C 13 53.48 . . 1 . . . . . . . . 4267 1 255 . 1 1 22 22 ASN CB C 13 37.14 . . 1 . . . . . . . . 4267 1 256 . 1 1 22 22 ASN CG C 13 178.23 . . 1 . . . . . . . . 4267 1 257 . 1 1 22 22 ASN N N 15 120.60 . . 1 . . . . . . . . 4267 1 258 . 1 1 22 22 ASN ND2 N 15 112.72 . . 1 . . . . . . . . 4267 1 259 . 1 1 23 23 PHE H H 1 8.00 . . 1 . . . . . . . . 4267 1 260 . 1 1 23 23 PHE HA H 1 4.08 . . 1 . . . . . . . . 4267 1 261 . 1 1 23 23 PHE HB2 H 1 2.54 . . 1 . . . . . . . . 4267 1 262 . 1 1 23 23 PHE HB3 H 1 2.97 . . 1 . . . . . . . . 4267 1 263 . 1 1 23 23 PHE HD1 H 1 7.13 . . 1 . . . . . . . . 4267 1 264 . 1 1 23 23 PHE HD2 H 1 7.13 . . 1 . . . . . . . . 4267 1 265 . 1 1 23 23 PHE HE1 H 1 7.59 . . 1 . . . . . . . . 4267 1 266 . 1 1 23 23 PHE HE2 H 1 7.59 . . 1 . . . . . . . . 4267 1 267 . 1 1 23 23 PHE C C 13 175.55 . . . . . . . . . . . 4267 1 268 . 1 1 23 23 PHE CA C 13 59.75 . . 1 . . . . . . . . 4267 1 269 . 1 1 23 23 PHE CB C 13 39.53 . . 1 . . . . . . . . 4267 1 270 . 1 1 23 23 PHE N N 15 117.83 . . 1 . . . . . . . . 4267 1 271 . 1 1 24 24 GLN H H 1 7.56 . . 1 . . . . . . . . 4267 1 272 . 1 1 24 24 GLN HA H 1 4.32 . . 1 . . . . . . . . 4267 1 273 . 1 1 24 24 GLN HB2 H 1 1.26 . . 1 . . . . . . . . 4267 1 274 . 1 1 24 24 GLN HB3 H 1 1.76 . . 1 . . . . . . . . 4267 1 275 . 1 1 24 24 GLN HG2 H 1 2.47 . . 2 . . . . . . . . 4267 1 276 . 1 1 24 24 GLN HG3 H 1 2.17 . . 2 . . . . . . . . 4267 1 277 . 1 1 24 24 GLN HE21 H 1 7.02 . . 1 . . . . . . . . 4267 1 278 . 1 1 24 24 GLN HE22 H 1 6.77 . . 1 . . . . . . . . 4267 1 279 . 1 1 24 24 GLN C C 13 174.02 . . 1 . . . . . . . . 4267 1 280 . 1 1 24 24 GLN CA C 13 52.72 . . 1 . . . . . . . . 4267 1 281 . 1 1 24 24 GLN CB C 13 29.05 . . 1 . . . . . . . . 4267 1 282 . 1 1 24 24 GLN CG C 13 32.2 . . 1 . . . . . . . . 4267 1 283 . 1 1 24 24 GLN CD C 13 180.56 . . 1 . . . . . . . . 4267 1 284 . 1 1 24 24 GLN N N 15 128.24 . . 1 . . . . . . . . 4267 1 285 . 1 1 24 24 GLN NE2 N 15 114.3 . . 1 . . . . . . . . 4267 1 286 . 1 1 25 25 ASP H H 1 8.70 . . 1 . . . . . . . . 4267 1 287 . 1 1 25 25 ASP HA H 1 4.18 . . 1 . . . . . . . . 4267 1 288 . 1 1 25 25 ASP HB2 H 1 2.87 . . 1 . . . . . . . . 4267 1 289 . 1 1 25 25 ASP HB3 H 1 3.14 . . 1 . . . . . . . . 4267 1 290 . 1 1 25 25 ASP C C 13 180.67 . . 1 . . . . . . . . 4267 1 291 . 1 1 25 25 ASP CA C 13 55.94 . . 1 . . . . . . . . 4267 1 292 . 1 1 25 25 ASP CB C 13 38.57 . . 1 . . . . . . . . 4267 1 293 . 1 1 25 25 ASP N N 15 126.45 . . 1 . . . . . . . . 4267 1 294 . 1 1 26 26 ASN H H 1 9.19 . . 1 . . . . . . . . 4267 1 295 . 1 1 26 26 ASN HA H 1 4.39 . . 1 . . . . . . . . 4267 1 296 . 1 1 26 26 ASN HB2 H 1 2.87 . . 1 . . . . . . . . 4267 1 297 . 1 1 26 26 ASN HB3 H 1 2.74 . . 1 . . . . . . . . 4267 1 298 . 1 1 26 26 ASN HD21 H 1 7.67 . . 1 . . . . . . . . 4267 1 299 . 1 1 26 26 ASN HD22 H 1 7.00 . . 1 . . . . . . . . 4267 1 300 . 1 1 26 26 ASN C C 13 177.13 . . 1 . . . . . . . . 4267 1 301 . 1 1 26 26 ASN CA C 13 55.48 . . 1 . . . . . . . . 4267 1 302 . 1 1 26 26 ASN CB C 13 37.14 . . 1 . . . . . . . . 4267 1 303 . 1 1 26 26 ASN CG C 13 176.19 . . 1 . . . . . . . . 4267 1 304 . 1 1 26 26 ASN N N 15 121.22 . . 1 . . . . . . . . 4267 1 305 . 1 1 26 26 ASN ND2 N 15 114.2 . . 1 . . . . . . . . 4267 1 306 . 1 1 27 27 GLN H H 1 7.03 . . 1 . . . . . . . . 4267 1 307 . 1 1 27 27 GLN HA H 1 4.25 . . 1 . . . . . . . . 4267 1 308 . 1 1 27 27 GLN HB2 H 1 1.77 . . 2 . . . . . . . . 4267 1 309 . 1 1 27 27 GLN HB3 H 1 1.08 . . 2 . . . . . . . . 4267 1 310 . 1 1 27 27 GLN HG2 H 1 2.11 . . 1 . . . . . . . . 4267 1 311 . 1 1 27 27 GLN HG3 H 1 2.11 . . 1 . . . . . . . . 4267 1 312 . 1 1 27 27 GLN HE21 H 1 7.17 . . 1 . . . . . . . . 4267 1 313 . 1 1 27 27 GLN HE22 H 1 6.63 . . 1 . . . . . . . . 4267 1 314 . 1 1 27 27 GLN C C 13 176.24 . . 1 . . . . . . . . 4267 1 315 . 1 1 27 27 GLN CA C 13 56.78 . . 1 . . . . . . . . 4267 1 316 . 1 1 27 27 GLN CB C 13 28.81 . . 1 . . . . . . . . 4267 1 317 . 1 1 27 27 GLN CG C 13 33.4 . . 1 . . . . . . . . 4267 1 318 . 1 1 27 27 GLN CD C 13 178.95 . . 1 . . . . . . . . 4267 1 319 . 1 1 27 27 GLN N N 15 117.56 . . 1 . . . . . . . . 4267 1 320 . 1 1 27 27 GLN NE2 N 15 110.89 . . 1 . . . . . . . . 4267 1 321 . 1 1 28 28 PHE H H 1 7.52 . . 1 . . . . . . . . 4267 1 322 . 1 1 28 28 PHE HA H 1 4.55 . . 1 . . . . . . . . 4267 1 323 . 1 1 28 28 PHE HB2 H 1 3.42 . . 2 . . . . . . . . 4267 1 324 . 1 1 28 28 PHE HB3 H 1 3.18 . . 2 . . . . . . . . 4267 1 325 . 1 1 28 28 PHE HD1 H 1 6.87 . . 1 . . . . . . . . 4267 1 326 . 1 1 28 28 PHE HD2 H 1 6.87 . . 1 . . . . . . . . 4267 1 327 . 1 1 28 28 PHE HE1 H 1 7.10 . . 1 . . . . . . . . 4267 1 328 . 1 1 28 28 PHE HE2 H 1 7.10 . . 1 . . . . . . . . 4267 1 329 . 1 1 28 28 PHE C C 13 173.04 . . 1 . . . . . . . . 4267 1 330 . 1 1 28 28 PHE CA C 13 59.51 . . 1 . . . . . . . . 4267 1 331 . 1 1 28 28 PHE CB C 13 41.43 . . 1 . . . . . . . . 4267 1 332 . 1 1 28 28 PHE N N 15 119.51 . . 1 . . . . . . . . 4267 1 333 . 1 1 29 29 GLN H H 1 6.73 . . 1 . . . . . . . . 4267 1 334 . 1 1 29 29 GLN HA H 1 4.41 . . 1 . . . . . . . . 4267 1 335 . 1 1 29 29 GLN HB2 H 1 2.68 . . 2 . . . . . . . . 4267 1 336 . 1 1 29 29 GLN HB3 H 1 2.38 . . 2 . . . . . . . . 4267 1 337 . 1 1 29 29 GLN HG2 H 1 2.14 . . 1 . . . . . . . . 4267 1 338 . 1 1 29 29 GLN HG3 H 1 2.14 . . 1 . . . . . . . . 4267 1 339 . 1 1 29 29 GLN HE21 H 1 7.59 . . 1 . . . . . . . . 4267 1 340 . 1 1 29 29 GLN HE22 H 1 6.75 . . 1 . . . . . . . . 4267 1 341 . 1 1 29 29 GLN C C 13 174.66 . . 1 . . . . . . . . 4267 1 342 . 1 1 29 29 GLN CA C 13 56.02 . . 1 . . . . . . . . 4267 1 343 . 1 1 29 29 GLN CB C 13 31.91 . . 1 . . . . . . . . 4267 1 344 . 1 1 29 29 GLN CD C 13 180.4 . . 1 . . . . . . . . 4267 1 345 . 1 1 29 29 GLN N N 15 109.75 . . 1 . . . . . . . . 4267 1 346 . 1 1 29 29 GLN NE2 N 15 112.60 . . 1 . . . . . . . . 4267 1 347 . 1 1 30 30 GLY H H 1 9.58 . . 1 . . . . . . . . 4267 1 348 . 1 1 30 30 GLY HA2 H 1 4.34 . . 1 . . . . . . . . 4267 1 349 . 1 1 30 30 GLY HA3 H 1 3.76 . . 1 . . . . . . . . 4267 1 350 . 1 1 30 30 GLY C C 13 172.40 . . 1 . . . . . . . . 4267 1 351 . 1 1 30 30 GLY CA C 13 43.31 . . 1 . . . . . . . . 4267 1 352 . 1 1 30 30 GLY N N 15 109.71 . . 1 . . . . . . . . 4267 1 353 . 1 1 31 31 LYS H H 1 8.58 . . 1 . . . . . . . . 4267 1 354 . 1 1 31 31 LYS HA H 1 4.36 . . 1 . . . . . . . . 4267 1 355 . 1 1 31 31 LYS HB2 H 1 1.54 . . 1 . . . . . . . . 4267 1 356 . 1 1 31 31 LYS HB3 H 1 1.54 . . 1 . . . . . . . . 4267 1 357 . 1 1 31 31 LYS C C 13 175.40 . . 1 . . . . . . . . 4267 1 358 . 1 1 31 31 LYS CA C 13 56.86 . . 1 . . . . . . . . 4267 1 359 . 1 1 31 31 LYS CB C 13 32.38 . . 1 . . . . . . . . 4267 1 360 . 1 1 31 31 LYS N N 15 120.60 . . 1 . . . . . . . . 4267 1 361 . 1 1 32 32 TRP H H 1 8.99 . . 1 . . . . . . . . 4267 1 362 . 1 1 32 32 TRP HA H 1 4.65 . . 1 . . . . . . . . 4267 1 363 . 1 1 32 32 TRP HB2 H 1 2.37 . . 2 . . . . . . . . 4267 1 364 . 1 1 32 32 TRP HB3 H 1 2.13 . . 2 . . . . . . . . 4267 1 365 . 1 1 32 32 TRP HD1 H 1 6.50 . . 1 . . . . . . . . 4267 1 366 . 1 1 32 32 TRP HE1 H 1 8.46 . . 1 . . . . . . . . 4267 1 367 . 1 1 32 32 TRP HE3 H 1 6.42 . . 1 . . . . . . . . 4267 1 368 . 1 1 32 32 TRP HZ2 H 1 6.72 . . 1 . . . . . . . . 4267 1 369 . 1 1 32 32 TRP HH2 H 1 6.40 . . 1 . . . . . . . . 4267 1 370 . 1 1 32 32 TRP C C 13 174.52 . . 1 . . . . . . . . 4267 1 371 . 1 1 32 32 TRP CA C 13 54.89 . . 1 . . . . . . . . 4267 1 372 . 1 1 32 32 TRP CB C 13 31.93 . . 1 . . . . . . . . 4267 1 373 . 1 1 32 32 TRP CD1 C 13 127.7 . . 1 . . . . . . . . 4267 1 374 . 1 1 32 32 TRP CZ2 C 13 118.9 . . 1 . . . . . . . . 4267 1 375 . 1 1 32 32 TRP CH2 C 13 122.0 . . 1 . . . . . . . . 4267 1 376 . 1 1 32 32 TRP N N 15 130.53 . . 1 . . . . . . . . 4267 1 377 . 1 1 32 32 TRP NE1 N 15 126.66 . . 1 . . . . . . . . 4267 1 378 . 1 1 33 33 TYR H H 1 9.95 . . 1 . . . . . . . . 4267 1 379 . 1 1 33 33 TYR HA H 1 4.59 . . 1 . . . . . . . . 4267 1 380 . 1 1 33 33 TYR HB2 H 1 3.16 . . 2 . . . . . . . . 4267 1 381 . 1 1 33 33 TYR HB3 H 1 2.82 . . 2 . . . . . . . . 4267 1 382 . 1 1 33 33 TYR HD1 H 1 6.74 . . 1 . . . . . . . . 4267 1 383 . 1 1 33 33 TYR HD2 H 1 6.74 . . 1 . . . . . . . . 4267 1 384 . 1 1 33 33 TYR HE1 H 1 7.00 . . 1 . . . . . . . . 4267 1 385 . 1 1 33 33 TYR HE2 H 1 7.00 . . 1 . . . . . . . . 4267 1 386 . 1 1 33 33 TYR C C 13 176.53 . . 1 . . . . . . . . 4267 1 387 . 1 1 33 33 TYR CA C 13 58.57 . . 1 . . . . . . . . 4267 1 388 . 1 1 33 33 TYR CB C 13 39.05 . . 1 . . . . . . . . 4267 1 389 . 1 1 33 33 TYR CD1 C 13 133.1 . . 1 . . . . . . . . 4267 1 390 . 1 1 33 33 TYR CD2 C 13 133.1 . . 1 . . . . . . . . 4267 1 391 . 1 1 33 33 TYR N N 15 120.80 . . 1 . . . . . . . . 4267 1 392 . 1 1 34 34 VAL H H 1 8.44 . . 1 . . . . . . . . 4267 1 393 . 1 1 34 34 VAL HA H 1 4.17 . . 1 . . . . . . . . 4267 1 394 . 1 1 34 34 VAL HB H 1 1.36 . . 1 . . . . . . . . 4267 1 395 . 1 1 34 34 VAL HG11 H 1 0.73 . . 1 . . . . . . . . 4267 1 396 . 1 1 34 34 VAL HG12 H 1 0.73 . . 1 . . . . . . . . 4267 1 397 . 1 1 34 34 VAL HG13 H 1 0.73 . . 1 . . . . . . . . 4267 1 398 . 1 1 34 34 VAL HG21 H 1 0.47 . . 1 . . . . . . . . 4267 1 399 . 1 1 34 34 VAL HG22 H 1 0.47 . . 1 . . . . . . . . 4267 1 400 . 1 1 34 34 VAL HG23 H 1 0.47 . . 1 . . . . . . . . 4267 1 401 . 1 1 34 34 VAL C C 13 173.24 . . 1 . . . . . . . . 4267 1 402 . 1 1 34 34 VAL CA C 13 64.31 . . 1 . . . . . . . . 4267 1 403 . 1 1 34 34 VAL CB C 13 30.24 . . 1 . . . . . . . . 4267 1 404 . 1 1 34 34 VAL CG1 C 13 21.8 . . 1 . . . . . . . . 4267 1 405 . 1 1 34 34 VAL CG2 C 13 21.8 . . 1 . . . . . . . . 4267 1 406 . 1 1 34 34 VAL N N 15 123.12 . . 1 . . . . . . . . 4267 1 407 . 1 1 35 35 VAL H H 1 8.45 . . 1 . . . . . . . . 4267 1 408 . 1 1 35 35 VAL HA H 1 4.18 . . 1 . . . . . . . . 4267 1 409 . 1 1 35 35 VAL HB H 1 1.92 . . 1 . . . . . . . . 4267 1 410 . 1 1 35 35 VAL HG11 H 1 1.01 . . 1 . . . . . . . . 4267 1 411 . 1 1 35 35 VAL HG12 H 1 1.01 . . 1 . . . . . . . . 4267 1 412 . 1 1 35 35 VAL HG13 H 1 1.01 . . 1 . . . . . . . . 4267 1 413 . 1 1 35 35 VAL HG21 H 1 1.01 . . 1 . . . . . . . . 4267 1 414 . 1 1 35 35 VAL HG22 H 1 1.01 . . 1 . . . . . . . . 4267 1 415 . 1 1 35 35 VAL HG23 H 1 1.01 . . 1 . . . . . . . . 4267 1 416 . 1 1 35 35 VAL C C 13 176.68 . . 1 . . . . . . . . 4267 1 417 . 1 1 35 35 VAL CA C 13 62.68 . . 1 . . . . . . . . 4267 1 418 . 1 1 35 35 VAL CB C 13 33.10 . . 1 . . . . . . . . 4267 1 419 . 1 1 35 35 VAL CG1 C 13 21.3 . . 2 . . . . . . . . 4267 1 420 . 1 1 35 35 VAL CG2 C 13 21.5 . . 2 . . . . . . . . 4267 1 421 . 1 1 35 35 VAL N N 15 106.74 . . 1 . . . . . . . . 4267 1 422 . 1 1 36 36 GLY H H 1 8.26 . . 1 . . . . . . . . 4267 1 423 . 1 1 36 36 GLY HA2 H 1 4.80 . . 1 . . . . . . . . 4267 1 424 . 1 1 36 36 GLY HA3 H 1 2.92 . . 1 . . . . . . . . 4267 1 425 . 1 1 36 36 GLY C C 13 170.19 . . 1 . . . . . . . . 4267 1 426 . 1 1 36 36 GLY CA C 13 45.11 . . 1 . . . . . . . . 4267 1 427 . 1 1 36 36 GLY N N 15 106.74 . . 1 . . . . . . . . 4267 1 428 . 1 1 37 37 LEU H H 1 9.28 . . 1 . . . . . . . . 4267 1 429 . 1 1 37 37 LEU HA H 1 5.24 . . 1 . . . . . . . . 4267 1 430 . 1 1 37 37 LEU HB2 H 1 1.52 . . 2 . . . . . . . . 4267 1 431 . 1 1 37 37 LEU HB3 H 1 1.38 . . 2 . . . . . . . . 4267 1 432 . 1 1 37 37 LEU HG H 1 1.43 . . 1 . . . . . . . . 4267 1 433 . 1 1 37 37 LEU HD11 H 1 0.72 . . 1 . . . . . . . . 4267 1 434 . 1 1 37 37 LEU HD12 H 1 0.72 . . 1 . . . . . . . . 4267 1 435 . 1 1 37 37 LEU HD13 H 1 0.72 . . 1 . . . . . . . . 4267 1 436 . 1 1 37 37 LEU HD21 H 1 0.93 . . 1 . . . . . . . . 4267 1 437 . 1 1 37 37 LEU HD22 H 1 0.93 . . 1 . . . . . . . . 4267 1 438 . 1 1 37 37 LEU HD23 H 1 0.93 . . 1 . . . . . . . . 4267 1 439 . 1 1 37 37 LEU C C 13 173.09 . . 1 . . . . . . . . 4267 1 440 . 1 1 37 37 LEU CA C 13 54.47 . . 1 . . . . . . . . 4267 1 441 . 1 1 37 37 LEU CB C 13 47.62 . . 1 . . . . . . . . 4267 1 442 . 1 1 37 37 LEU CG C 13 26.7 . . 1 . . . . . . . . 4267 1 443 . 1 1 37 37 LEU CD1 C 13 24.6 . . 1 . . . . . . . . 4267 1 444 . 1 1 37 37 LEU CD2 C 13 25.0 . . 1 . . . . . . . . 4267 1 445 . 1 1 37 37 LEU N N 15 125.14 . . 1 . . . . . . . . 4267 1 446 . 1 1 38 38 ALA H H 1 9.14 . . 1 . . . . . . . . 4267 1 447 . 1 1 38 38 ALA HA H 1 5.69 . . 1 . . . . . . . . 4267 1 448 . 1 1 38 38 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 4267 1 449 . 1 1 38 38 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 4267 1 450 . 1 1 38 38 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 4267 1 451 . 1 1 38 38 ALA C C 13 176.54 . . 1 . . . . . . . . 4267 1 452 . 1 1 38 38 ALA CA C 13 50.14 . . 1 . . . . . . . . 4267 1 453 . 1 1 38 38 ALA CB C 13 24.77 . . 1 . . . . . . . . 4267 1 454 . 1 1 38 38 ALA N N 15 125.45 . . 1 . . . . . . . . 4267 1 455 . 1 1 39 39 GLY H H 1 7.96 . . 1 . . . . . . . . 4267 1 456 . 1 1 39 39 GLY HA2 H 1 3.73 . . 1 . . . . . . . . 4267 1 457 . 1 1 39 39 GLY HA3 H 1 4.63 . . 1 . . . . . . . . 4267 1 458 . 1 1 39 39 GLY C C 13 173.29 . . 1 . . . . . . . . 4267 1 459 . 1 1 39 39 GLY CA C 13 47.08 . . 1 . . . . . . . . 4267 1 460 . 1 1 39 39 GLY N N 15 105.61 . . 1 . . . . . . . . 4267 1 461 . 1 1 40 40 ASN H H 1 7.71 . . 1 . . . . . . . . 4267 1 462 . 1 1 40 40 ASN HA H 1 3.94 . . 1 . . . . . . . . 4267 1 463 . 1 1 40 40 ASN HB2 H 1 3.28 . . 1 . . . . . . . . 4267 1 464 . 1 1 40 40 ASN HB3 H 1 2.40 . . 1 . . . . . . . . 4267 1 465 . 1 1 40 40 ASN HD21 H 1 8.49 . . 1 . . . . . . . . 4267 1 466 . 1 1 40 40 ASN HD22 H 1 7.44 . . 1 . . . . . . . . 4267 1 467 . 1 1 40 40 ASN C C 13 175.30 . . 1 . . . . . . . . 4267 1 468 . 1 1 40 40 ASN CA C 13 54.72 . . 1 . . . . . . . . 4267 1 469 . 1 1 40 40 ASN CB C 13 37.14 . . 1 . . . . . . . . 4267 1 470 . 1 1 40 40 ASN N N 15 117.16 . . 1 . . . . . . . . 4267 1 471 . 1 1 40 40 ASN ND2 N 15 110.10 . . 1 . . . . . . . . 4267 1 472 . 1 1 41 41 ALA H H 1 9.49 . . 1 . . . . . . . . 4267 1 473 . 1 1 41 41 ALA HA H 1 4.73 . . 1 . . . . . . . . 4267 1 474 . 1 1 41 41 ALA HB1 H 1 1.43 . . 1 . . . . . . . . 4267 1 475 . 1 1 41 41 ALA HB2 H 1 1.43 . . 1 . . . . . . . . 4267 1 476 . 1 1 41 41 ALA HB3 H 1 1.43 . . 1 . . . . . . . . 4267 1 477 . 1 1 41 41 ALA C C 13 175.95 . . 1 . . . . . . . . 4267 1 478 . 1 1 41 41 ALA CA C 13 50.95 . . 1 . . . . . . . . 4267 1 479 . 1 1 41 41 ALA CB C 13 18.82 . . 1 . . . . . . . . 4267 1 480 . 1 1 41 41 ALA N N 15 124.77 . . 1 . . . . . . . . 4267 1 481 . 1 1 42 42 ILE H H 1 6.76 . . 1 . . . . . . . . 4267 1 482 . 1 1 42 42 ILE HA H 1 4.04 . . 1 . . . . . . . . 4267 1 483 . 1 1 42 42 ILE HB H 1 1.82 . . 1 . . . . . . . . 4267 1 484 . 1 1 42 42 ILE HG12 H 1 1.41 . . 2 . . . . . . . . 4267 1 485 . 1 1 42 42 ILE HG13 H 1 1.22 . . 2 . . . . . . . . 4267 1 486 . 1 1 42 42 ILE HG21 H 1 0.67 . . 1 . . . . . . . . 4267 1 487 . 1 1 42 42 ILE HG22 H 1 0.67 . . 1 . . . . . . . . 4267 1 488 . 1 1 42 42 ILE HG23 H 1 0.67 . . 1 . . . . . . . . 4267 1 489 . 1 1 42 42 ILE HD11 H 1 0.65 . . 1 . . . . . . . . 4267 1 490 . 1 1 42 42 ILE HD12 H 1 0.65 . . 1 . . . . . . . . 4267 1 491 . 1 1 42 42 ILE HD13 H 1 0.65 . . 1 . . . . . . . . 4267 1 492 . 1 1 42 42 ILE C C 13 173.34 . . 1 . . . . . . . . 4267 1 493 . 1 1 42 42 ILE CA C 13 59.52 . . 1 . . . . . . . . 4267 1 494 . 1 1 42 42 ILE CB C 13 38.33 . . 1 . . . . . . . . 4267 1 495 . 1 1 42 42 ILE CG2 C 13 17.3 . . 1 . . . . . . . . 4267 1 496 . 1 1 42 42 ILE CD1 C 13 11.8 . . 1 . . . . . . . . 4267 1 497 . 1 1 42 42 ILE N N 15 121.31 . . 1 . . . . . . . . 4267 1 498 . 1 1 43 43 LEU H H 1 7.96 . . 1 . . . . . . . . 4267 1 499 . 1 1 43 43 LEU HA H 1 4.63 . . 1 . . . . . . . . 4267 1 500 . 1 1 43 43 LEU HB2 H 1 1.36 . . 1 . . . . . . . . 4267 1 501 . 1 1 43 43 LEU HB3 H 1 1.36 . . 1 . . . . . . . . 4267 1 502 . 1 1 43 43 LEU HG H 1 1.29 . . 1 . . . . . . . . 4267 1 503 . 1 1 43 43 LEU HD11 H 1 0.69 . . 2 . . . . . . . . 4267 1 504 . 1 1 43 43 LEU HD12 H 1 0.69 . . 2 . . . . . . . . 4267 1 505 . 1 1 43 43 LEU HD13 H 1 0.69 . . 2 . . . . . . . . 4267 1 506 . 1 1 43 43 LEU HD21 H 1 0.60 . . 2 . . . . . . . . 4267 1 507 . 1 1 43 43 LEU HD22 H 1 0.60 . . 2 . . . . . . . . 4267 1 508 . 1 1 43 43 LEU HD23 H 1 0.60 . . 2 . . . . . . . . 4267 1 509 . 1 1 43 43 LEU C C 13 176.59 . . 1 . . . . . . . . 4267 1 510 . 1 1 43 43 LEU CA C 13 52.83 . . 1 . . . . . . . . 4267 1 511 . 1 1 43 43 LEU CB C 13 44.65 . . 1 . . . . . . . . 4267 1 512 . 1 1 43 43 LEU CG C 13 27.1 . . 1 . . . . . . . . 4267 1 513 . 1 1 43 43 LEU CD1 C 13 24.5 . . 2 . . . . . . . . 4267 1 514 . 1 1 43 43 LEU CD2 C 13 23.9 . . 2 . . . . . . . . 4267 1 515 . 1 1 43 43 LEU N N 15 124.79 . . 1 . . . . . . . . 4267 1 516 . 1 1 44 44 ARG H H 1 8.35 . . 1 . . . . . . . . 4267 1 517 . 1 1 44 44 ARG HA H 1 3.99 . . 1 . . . . . . . . 4267 1 518 . 1 1 44 44 ARG HB2 H 1 1.74 . . 2 . . . . . . . . 4267 1 519 . 1 1 44 44 ARG HB3 H 1 1.81 . . 2 . . . . . . . . 4267 1 520 . 1 1 44 44 ARG HG2 H 1 2.43 . . 2 . . . . . . . . 4267 1 521 . 1 1 44 44 ARG HG3 H 1 2.28 . . 2 . . . . . . . . 4267 1 522 . 1 1 44 44 ARG HD2 H 1 3.32 . . 1 . . . . . . . . 4267 1 523 . 1 1 44 44 ARG HD3 H 1 3.32 . . 1 . . . . . . . . 4267 1 524 . 1 1 44 44 ARG CA C 13 56.96 . . 1 . . . . . . . . 4267 1 525 . 1 1 44 44 ARG CB C 13 30.64 . . 1 . . . . . . . . 4267 1 526 . 1 1 44 44 ARG N N 15 123.79 . . 1 . . . . . . . . 4267 1 527 . 1 1 45 45 GLU H H 1 8.49 . . 1 . . . . . . . . 4267 1 528 . 1 1 45 45 GLU HA H 1 4.50 . . 1 . . . . . . . . 4267 1 529 . 1 1 45 45 GLU HB2 H 1 2.10 . . 2 . . . . . . . . 4267 1 530 . 1 1 45 45 GLU HB3 H 1 1.86 . . 2 . . . . . . . . 4267 1 531 . 1 1 45 45 GLU CA C 13 55.43 . . 1 . . . . . . . . 4267 1 532 . 1 1 45 45 GLU CB C 13 30.42 . . 1 . . . . . . . . 4267 1 533 . 1 1 45 45 GLU N N 15 126.5 . . 1 . . . . . . . . 4267 1 534 . 1 1 46 46 ASP H H 1 8.44 . . 1 . . . . . . . . 4267 1 535 . 1 1 46 46 ASP HA H 1 4.46 . . 1 . . . . . . . . 4267 1 536 . 1 1 46 46 ASP HB2 H 1 2.71 . . 2 . . . . . . . . 4267 1 537 . 1 1 46 46 ASP HB3 H 1 2.64 . . 2 . . . . . . . . 4267 1 538 . 1 1 46 46 ASP C C 13 177.08 . . 1 . . . . . . . . 4267 1 539 . 1 1 46 46 ASP CA C 13 55.89 . . 1 . . . . . . . . 4267 1 540 . 1 1 46 46 ASP CB C 13 40.95 . . 1 . . . . . . . . 4267 1 541 . 1 1 46 46 ASP N N 15 123.68 . . 1 . . . . . . . . 4267 1 542 . 1 1 47 47 LYS H H 1 8.47 . . 1 . . . . . . . . 4267 1 543 . 1 1 47 47 LYS HA H 1 4.22 . . 1 . . . . . . . . 4267 1 544 . 1 1 47 47 LYS HB2 H 1 1.86 . . 1 . . . . . . . . 4267 1 545 . 1 1 47 47 LYS HB3 H 1 1.86 . . 1 . . . . . . . . 4267 1 546 . 1 1 47 47 LYS HG2 H 1 1.68 . . 1 . . . . . . . . 4267 1 547 . 1 1 47 47 LYS HG3 H 1 1.68 . . 1 . . . . . . . . 4267 1 548 . 1 1 47 47 LYS HD2 H 1 1.33 . . 1 . . . . . . . . 4267 1 549 . 1 1 47 47 LYS HD3 H 1 1.33 . . 1 . . . . . . . . 4267 1 550 . 1 1 47 47 LYS HE2 H 1 2.99 . . 1 . . . . . . . . 4267 1 551 . 1 1 47 47 LYS HE3 H 1 2.99 . . 1 . . . . . . . . 4267 1 552 . 1 1 47 47 LYS C C 13 176.34 . . 1 . . . . . . . . 4267 1 553 . 1 1 47 47 LYS CA C 13 57.01 . . 1 . . . . . . . . 4267 1 554 . 1 1 47 47 LYS CB C 13 32.30 . . 1 . . . . . . . . 4267 1 555 . 1 1 47 47 LYS CG C 13 25.6 . . 1 . . . . . . . . 4267 1 556 . 1 1 47 47 LYS CD C 13 25.2 . . 1 . . . . . . . . 4267 1 557 . 1 1 47 47 LYS CE C 13 42.3 . . 1 . . . . . . . . 4267 1 558 . 1 1 47 47 LYS N N 15 118.18 . . 1 . . . . . . . . 4267 1 559 . 1 1 48 48 ASP H H 1 7.91 . . 1 . . . . . . . . 4267 1 560 . 1 1 48 48 ASP HA H 1 4.92 . . 1 . . . . . . . . 4267 1 561 . 1 1 48 48 ASP HB2 H 1 2.43 . . 1 . . . . . . . . 4267 1 562 . 1 1 48 48 ASP HB3 H 1 2.71 . . 1 . . . . . . . . 4267 1 563 . 1 1 48 48 ASP CA C 13 52.18 . . 1 . . . . . . . . 4267 1 564 . 1 1 48 48 ASP CB C 13 32.40 . . 1 . . . . . . . . 4267 1 565 . 1 1 48 48 ASP N N 15 118.69 . . 1 . . . . . . . . 4267 1 566 . 1 1 49 49 PRO HB2 H 1 2.36 . . 1 . . . . . . . . 4267 1 567 . 1 1 49 49 PRO HB3 H 1 2.36 . . 1 . . . . . . . . 4267 1 568 . 1 1 49 49 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 4267 1 569 . 1 1 49 49 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 4267 1 570 . 1 1 49 49 PRO HD2 H 1 3.69 . . 2 . . . . . . . . 4267 1 571 . 1 1 49 49 PRO HD3 H 1 3.65 . . 2 . . . . . . . . 4267 1 572 . 1 1 49 49 PRO CG C 13 27.0 . . 1 . . . . . . . . 4267 1 573 . 1 1 49 49 PRO CD C 13 50.2 . . 1 . . . . . . . . 4267 1 574 . 1 1 51 51 LYS H H 1 8.63 . . 1 . . . . . . . . 4267 1 575 . 1 1 51 51 LYS HA H 1 4.68 . . 1 . . . . . . . . 4267 1 576 . 1 1 51 51 LYS CA C 13 55.46 . . 1 . . . . . . . . 4267 1 577 . 1 1 51 51 LYS CB C 13 33.82 . . 1 . . . . . . . . 4267 1 578 . 1 1 52 52 MET H H 1 8.83 . . 1 . . . . . . . . 4267 1 579 . 1 1 52 52 MET HA H 1 3.82 . . 1 . . . . . . . . 4267 1 580 . 1 1 52 52 MET HB2 H 1 1.89 . . 2 . . . . . . . . 4267 1 581 . 1 1 52 52 MET HB3 H 1 1.78 . . 2 . . . . . . . . 4267 1 582 . 1 1 52 52 MET HG2 H 1 2.09 . . 1 . . . . . . . . 4267 1 583 . 1 1 52 52 MET HG3 H 1 2.09 . . 1 . . . . . . . . 4267 1 584 . 1 1 52 52 MET HE1 H 1 2.31 . . 1 . . . . . . . . 4267 1 585 . 1 1 52 52 MET HE2 H 1 2.31 . . 1 . . . . . . . . 4267 1 586 . 1 1 52 52 MET HE3 H 1 2.31 . . 1 . . . . . . . . 4267 1 587 . 1 1 52 52 MET CA C 13 58.43 . . 1 . . . . . . . . 4267 1 588 . 1 1 52 52 MET CB C 13 34.31 . . 1 . . . . . . . . 4267 1 589 . 1 1 52 52 MET CE C 13 17.25 . . 1 . . . . . . . . 4267 1 590 . 1 1 52 52 MET N N 15 123.27 . . 1 . . . . . . . . 4267 1 591 . 1 1 53 53 TYR H H 1 6.85 . . 1 . . . . . . . . 4267 1 592 . 1 1 53 53 TYR HA H 1 5.36 . . 1 . . . . . . . . 4267 1 593 . 1 1 53 53 TYR HB2 H 1 3.24 . . 1 . . . . . . . . 4267 1 594 . 1 1 53 53 TYR HB3 H 1 3.87 . . 1 . . . . . . . . 4267 1 595 . 1 1 53 53 TYR HD1 H 1 7.09 . . 1 . . . . . . . . 4267 1 596 . 1 1 53 53 TYR HD2 H 1 7.09 . . 1 . . . . . . . . 4267 1 597 . 1 1 53 53 TYR HE1 H 1 6.78 . . 1 . . . . . . . . 4267 1 598 . 1 1 53 53 TYR HE2 H 1 6.78 . . 1 . . . . . . . . 4267 1 599 . 1 1 53 53 TYR C C 13 172.20 . . 1 . . . . . . . . 4267 1 600 . 1 1 53 53 TYR CA C 13 54.44 . . 1 . . . . . . . . 4267 1 601 . 1 1 53 53 TYR CB C 13 40.48 . . 1 . . . . . . . . 4267 1 602 . 1 1 53 53 TYR N N 15 118.40 . . 1 . . . . . . . . 4267 1 603 . 1 1 54 54 ALA H H 1 8.33 . . 1 . . . . . . . . 4267 1 604 . 1 1 54 54 ALA HA H 1 5.38 . . 1 . . . . . . . . 4267 1 605 . 1 1 54 54 ALA HB1 H 1 1.14 . . 1 . . . . . . . . 4267 1 606 . 1 1 54 54 ALA HB2 H 1 1.14 . . 1 . . . . . . . . 4267 1 607 . 1 1 54 54 ALA HB3 H 1 1.14 . . 1 . . . . . . . . 4267 1 608 . 1 1 54 54 ALA C C 13 175.85 . . 1 . . . . . . . . 4267 1 609 . 1 1 54 54 ALA CA C 13 49.96 . . 1 . . . . . . . . 4267 1 610 . 1 1 54 54 ALA CB C 13 22.86 . . 1 . . . . . . . . 4267 1 611 . 1 1 54 54 ALA N N 15 120.75 . . 1 . . . . . . . . 4267 1 612 . 1 1 55 55 THR H H 1 9.34 . . 1 . . . . . . . . 4267 1 613 . 1 1 55 55 THR HA H 1 5.20 . . 1 . . . . . . . . 4267 1 614 . 1 1 55 55 THR HB H 1 3.61 . . 1 . . . . . . . . 4267 1 615 . 1 1 55 55 THR HG21 H 1 0.86 . . 1 . . . . . . . . 4267 1 616 . 1 1 55 55 THR HG22 H 1 0.86 . . 1 . . . . . . . . 4267 1 617 . 1 1 55 55 THR HG23 H 1 0.86 . . 1 . . . . . . . . 4267 1 618 . 1 1 55 55 THR C C 13 171.96 . . 1 . . . . . . . . 4267 1 619 . 1 1 55 55 THR CA C 13 61.41 . . 1 . . . . . . . . 4267 1 620 . 1 1 55 55 THR CB C 13 72.17 . . 1 . . . . . . . . 4267 1 621 . 1 1 55 55 THR CG2 C 13 20.6 . . 1 . . . . . . . . 4267 1 622 . 1 1 55 55 THR N N 15 116.71 . . 1 . . . . . . . . 4267 1 623 . 1 1 56 56 ILE H H 1 9.51 . . 1 . . . . . . . . 4267 1 624 . 1 1 56 56 ILE HA H 1 4.62 . . 1 . . . . . . . . 4267 1 625 . 1 1 56 56 ILE HB H 1 1.75 . . 1 . . . . . . . . 4267 1 626 . 1 1 56 56 ILE HG12 H 1 1.70 . . 2 . . . . . . . . 4267 1 627 . 1 1 56 56 ILE HG13 H 1 1.38 . . 2 . . . . . . . . 4267 1 628 . 1 1 56 56 ILE HG21 H 1 0.72 . . 1 . . . . . . . . 4267 1 629 . 1 1 56 56 ILE HG22 H 1 0.72 . . 1 . . . . . . . . 4267 1 630 . 1 1 56 56 ILE HG23 H 1 0.72 . . 1 . . . . . . . . 4267 1 631 . 1 1 56 56 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 4267 1 632 . 1 1 56 56 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 4267 1 633 . 1 1 56 56 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 4267 1 634 . 1 1 56 56 ILE C C 13 175.40 . . 1 . . . . . . . . 4267 1 635 . 1 1 56 56 ILE CA C 13 60.22 . . 1 . . . . . . . . 4267 1 636 . 1 1 56 56 ILE CB C 13 40.00 . . 1 . . . . . . . . 4267 1 637 . 1 1 56 56 ILE CG2 C 13 18.7 . . 1 . . . . . . . . 4267 1 638 . 1 1 56 56 ILE CD1 C 13 14.4 . . 1 . . . . . . . . 4267 1 639 . 1 1 56 56 ILE N N 15 127.71 . . 1 . . . . . . . . 4267 1 640 . 1 1 57 57 TYR H H 1 8.88 . . 1 . . . . . . . . 4267 1 641 . 1 1 57 57 TYR HA H 1 4.59 . . 1 . . . . . . . . 4267 1 642 . 1 1 57 57 TYR HB2 H 1 3.04 . . 1 . . . . . . . . 4267 1 643 . 1 1 57 57 TYR HB3 H 1 2.37 . . 1 . . . . . . . . 4267 1 644 . 1 1 57 57 TYR HD1 H 1 6.36 . . 1 . . . . . . . . 4267 1 645 . 1 1 57 57 TYR HD2 H 1 6.36 . . 1 . . . . . . . . 4267 1 646 . 1 1 57 57 TYR HE1 H 1 6.50 . . 1 . . . . . . . . 4267 1 647 . 1 1 57 57 TYR HE2 H 1 6.50 . . 1 . . . . . . . . 4267 1 648 . 1 1 57 57 TYR C C 13 176.14 . . 1 . . . . . . . . 4267 1 649 . 1 1 57 57 TYR CA C 13 57.43 . . 1 . . . . . . . . 4267 1 650 . 1 1 57 57 TYR CB C 13 39.91 . . 1 . . . . . . . . 4267 1 651 . 1 1 57 57 TYR CD1 C 13 131.7 . . 1 . . . . . . . . 4267 1 652 . 1 1 57 57 TYR CD2 C 13 131.7 . . 1 . . . . . . . . 4267 1 653 . 1 1 57 57 TYR CE1 C 13 127.7 . . 1 . . . . . . . . 4267 1 654 . 1 1 57 57 TYR CE2 C 13 127.7 . . 1 . . . . . . . . 4267 1 655 . 1 1 57 57 TYR N N 15 127.91 . . 1 . . . . . . . . 4267 1 656 . 1 1 58 58 GLU H H 1 9.13 . . 1 . . . . . . . . 4267 1 657 . 1 1 58 58 GLU HA H 1 4.96 . . 1 . . . . . . . . 4267 1 658 . 1 1 58 58 GLU HB2 H 1 2.00 . . 1 . . . . . . . . 4267 1 659 . 1 1 58 58 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4267 1 660 . 1 1 58 58 GLU HG2 H 1 2.73 . . 2 . . . . . . . . 4267 1 661 . 1 1 58 58 GLU HG3 H 1 2.26 . . 2 . . . . . . . . 4267 1 662 . 1 1 58 58 GLU C C 13 174.66 . . 1 . . . . . . . . 4267 1 663 . 1 1 58 58 GLU CA C 13 55.19 . . 1 . . . . . . . . 4267 1 664 . 1 1 58 58 GLU CB C 13 32.38 . . 1 . . . . . . . . 4267 1 665 . 1 1 58 58 GLU N N 15 125.98 . . 1 . . . . . . . . 4267 1 666 . 1 1 59 59 LEU H H 1 8.93 . . 1 . . . . . . . . 4267 1 667 . 1 1 59 59 LEU HA H 1 4.45 . . 1 . . . . . . . . 4267 1 668 . 1 1 59 59 LEU HB2 H 1 1.84 . . 2 . . . . . . . . 4267 1 669 . 1 1 59 59 LEU HB3 H 1 1.15 . . 2 . . . . . . . . 4267 1 670 . 1 1 59 59 LEU HG H 1 1.55 . . 1 . . . . . . . . 4267 1 671 . 1 1 59 59 LEU HD11 H 1 0.41 . . 1 . . . . . . . . 4267 1 672 . 1 1 59 59 LEU HD12 H 1 0.41 . . 1 . . . . . . . . 4267 1 673 . 1 1 59 59 LEU HD13 H 1 0.41 . . 1 . . . . . . . . 4267 1 674 . 1 1 59 59 LEU HD21 H 1 0.64 . . 1 . . . . . . . . 4267 1 675 . 1 1 59 59 LEU HD22 H 1 0.64 . . 1 . . . . . . . . 4267 1 676 . 1 1 59 59 LEU HD23 H 1 0.64 . . 1 . . . . . . . . 4267 1 677 . 1 1 59 59 LEU C C 13 176.29 . . 1 . . . . . . . . 4267 1 678 . 1 1 59 59 LEU CA C 13 55.23 . . 1 . . . . . . . . 4267 1 679 . 1 1 59 59 LEU CB C 13 43.52 . . 1 . . . . . . . . 4267 1 680 . 1 1 59 59 LEU CG C 13 26.3 . . 1 . . . . . . . . 4267 1 681 . 1 1 59 59 LEU CD1 C 13 22.6 . . 1 . . . . . . . . 4267 1 682 . 1 1 59 59 LEU CD2 C 13 22.8 . . 1 . . . . . . . . 4267 1 683 . 1 1 59 59 LEU N N 15 130.13 . . 1 . . . . . . . . 4267 1 684 . 1 1 60 60 LYS H H 1 9.12 . . 1 . . . . . . . . 4267 1 685 . 1 1 60 60 LYS HA H 1 4.64 . . 1 . . . . . . . . 4267 1 686 . 1 1 60 60 LYS HB2 H 1 2.05 . . 2 . . . . . . . . 4267 1 687 . 1 1 60 60 LYS HB3 H 1 1.98 . . 2 . . . . . . . . 4267 1 688 . 1 1 60 60 LYS HG2 H 1 1.57 . . 1 . . . . . . . . 4267 1 689 . 1 1 60 60 LYS HG3 H 1 1.57 . . 1 . . . . . . . . 4267 1 690 . 1 1 60 60 LYS C C 13 179.05 . . 1 . . . . . . . . 4267 1 691 . 1 1 60 60 LYS CA C 13 54.27 . . 1 . . . . . . . . 4267 1 692 . 1 1 60 60 LYS CB C 13 32.38 . . 1 . . . . . . . . 4267 1 693 . 1 1 60 60 LYS N N 15 127.40 . . 1 . . . . . . . . 4267 1 694 . 1 1 61 61 GLU H H 1 9.11 . . 1 . . . . . . . . 4267 1 695 . 1 1 61 61 GLU HA H 1 4.04 . . 1 . . . . . . . . 4267 1 696 . 1 1 61 61 GLU HB2 H 1 1.91 . . 1 . . . . . . . . 4267 1 697 . 1 1 61 61 GLU HB3 H 1 2.10 . . 1 . . . . . . . . 4267 1 698 . 1 1 61 61 GLU HG2 H 1 2.37 . . 1 . . . . . . . . 4267 1 699 . 1 1 61 61 GLU HG3 H 1 2.37 . . 1 . . . . . . . . 4267 1 700 . 1 1 61 61 GLU CA C 13 59.24 . . 1 . . . . . . . . 4267 1 701 . 1 1 61 61 GLU CB C 13 28.88 . . 1 . . . . . . . . 4267 1 702 . 1 1 61 61 GLU N N 15 121.95 . . 1 . . . . . . . . 4267 1 703 . 1 1 62 62 ASP H H 1 7.71 . . 1 . . . . . . . . 4267 1 704 . 1 1 62 62 ASP HA H 1 4.50 . . 1 . . . . . . . . 4267 1 705 . 1 1 62 62 ASP HB2 H 1 3.15 . . 1 . . . . . . . . 4267 1 706 . 1 1 62 62 ASP HB3 H 1 2.59 . . 1 . . . . . . . . 4267 1 707 . 1 1 62 62 ASP C C 13 176.59 . . 1 . . . . . . . . 4267 1 708 . 1 1 62 62 ASP CA C 13 53.09 . . 1 . . . . . . . . 4267 1 709 . 1 1 62 62 ASP CB C 13 39.29 . . 1 . . . . . . . . 4267 1 710 . 1 1 62 62 ASP N N 15 116.45 . . 1 . . . . . . . . 4267 1 711 . 1 1 63 63 LYS H H 1 8.02 . . 1 . . . . . . . . 4267 1 712 . 1 1 63 63 LYS HA H 1 3.67 . . 1 . . . . . . . . 4267 1 713 . 1 1 63 63 LYS HB2 H 1 2.23 . . 1 . . . . . . . . 4267 1 714 . 1 1 63 63 LYS HB3 H 1 2.45 . . 1 . . . . . . . . 4267 1 715 . 1 1 63 63 LYS HG2 H 1 1.72 . . 2 . . . . . . . . 4267 1 716 . 1 1 63 63 LYS HG3 H 1 1.46 . . 2 . . . . . . . . 4267 1 717 . 1 1 63 63 LYS HD2 H 1 2.07 . . 1 . . . . . . . . 4267 1 718 . 1 1 63 63 LYS HD3 H 1 2.07 . . 1 . . . . . . . . 4267 1 719 . 1 1 63 63 LYS HE2 H 1 3.08 . . 1 . . . . . . . . 4267 1 720 . 1 1 63 63 LYS HE3 H 1 3.08 . . 1 . . . . . . . . 4267 1 721 . 1 1 63 63 LYS C C 13 174.27 . . 1 . . . . . . . . 4267 1 722 . 1 1 63 63 LYS CA C 13 58.45 . . 1 . . . . . . . . 4267 1 723 . 1 1 63 63 LYS CB C 13 28.34 . . 1 . . . . . . . . 4267 1 724 . 1 1 63 63 LYS CG C 13 25.4 . . 1 . . . . . . . . 4267 1 725 . 1 1 63 63 LYS CE C 13 42.1 . . 1 . . . . . . . . 4267 1 726 . 1 1 63 63 LYS N N 15 111.20 . . 1 . . . . . . . . 4267 1 727 . 1 1 64 64 SER H H 1 7.94 . . 1 . . . . . . . . 4267 1 728 . 1 1 64 64 SER HA H 1 4.92 . . 1 . . . . . . . . 4267 1 729 . 1 1 64 64 SER HB2 H 1 4.12 . . 2 . . . . . . . . 4267 1 730 . 1 1 64 64 SER HB3 H 1 4.06 . . 2 . . . . . . . . 4267 1 731 . 1 1 64 64 SER C C 13 173.14 . . 1 . . . . . . . . 4267 1 732 . 1 1 64 64 SER CA C 13 57.94 . . 1 . . . . . . . . 4267 1 733 . 1 1 64 64 SER CB C 13 65.23 . . 1 . . . . . . . . 4267 1 734 . 1 1 64 64 SER N N 15 111.75 . . 1 . . . . . . . . 4267 1 735 . 1 1 65 65 TYR H H 1 9.15 . . 1 . . . . . . . . 4267 1 736 . 1 1 65 65 TYR HA H 1 5.76 . . 1 . . . . . . . . 4267 1 737 . 1 1 65 65 TYR HB2 H 1 2.43 . . 1 . . . . . . . . 4267 1 738 . 1 1 65 65 TYR HB3 H 1 2.74 . . 1 . . . . . . . . 4267 1 739 . 1 1 65 65 TYR HD1 H 1 6.66 . . 1 . . . . . . . . 4267 1 740 . 1 1 65 65 TYR HD2 H 1 6.66 . . 1 . . . . . . . . 4267 1 741 . 1 1 65 65 TYR HE1 H 1 6.34 . . 1 . . . . . . . . 4267 1 742 . 1 1 65 65 TYR HE2 H 1 6.34 . . 1 . . . . . . . . 4267 1 743 . 1 1 65 65 TYR C C 13 177.42 . . 1 . . . . . . . . 4267 1 744 . 1 1 65 65 TYR CA C 13 56.32 . . 1 . . . . . . . . 4267 1 745 . 1 1 65 65 TYR CB C 13 42.14 . . 1 . . . . . . . . 4267 1 746 . 1 1 65 65 TYR CD1 C 13 132.4 . . 1 . . . . . . . . 4267 1 747 . 1 1 65 65 TYR CD2 C 13 132.4 . . 1 . . . . . . . . 4267 1 748 . 1 1 65 65 TYR CE1 C 13 131.7 . . 1 . . . . . . . . 4267 1 749 . 1 1 65 65 TYR CE2 C 13 131.7 . . 1 . . . . . . . . 4267 1 750 . 1 1 65 65 TYR N N 15 113.30 . . 1 . . . . . . . . 4267 1 751 . 1 1 66 66 ASN H H 1 9.37 . . 1 . . . . . . . . 4267 1 752 . 1 1 66 66 ASN HA H 1 4.96 . . 1 . . . . . . . . 4267 1 753 . 1 1 66 66 ASN HB2 H 1 2.61 . . 1 . . . . . . . . 4267 1 754 . 1 1 66 66 ASN HB3 H 1 2.85 . . 1 . . . . . . . . 4267 1 755 . 1 1 66 66 ASN HD21 H 1 7.48 . . 1 . . . . . . . . 4267 1 756 . 1 1 66 66 ASN HD22 H 1 6.51 . . 1 . . . . . . . . 4267 1 757 . 1 1 66 66 ASN C C 13 174.71 . . 1 . . . . . . . . 4267 1 758 . 1 1 66 66 ASN CA C 13 53.45 . . 1 . . . . . . . . 4267 1 759 . 1 1 66 66 ASN CB C 13 39.76 . . 1 . . . . . . . . 4267 1 760 . 1 1 66 66 ASN CG C 13 175.52 . . 1 . . . . . . . . 4267 1 761 . 1 1 66 66 ASN N N 15 121.15 . . 1 . . . . . . . . 4267 1 762 . 1 1 66 66 ASN ND2 N 15 111.87 . . 1 . . . . . . . . 4267 1 763 . 1 1 67 67 VAL H H 1 9.04 . . 1 . . . . . . . . 4267 1 764 . 1 1 67 67 VAL HA H 1 4.41 . . 1 . . . . . . . . 4267 1 765 . 1 1 67 67 VAL HB H 1 0.97 . . 1 . . . . . . . . 4267 1 766 . 1 1 67 67 VAL HG11 H 1 -0.29 . . 1 . . . . . . . . 4267 1 767 . 1 1 67 67 VAL HG12 H 1 -0.29 . . 1 . . . . . . . . 4267 1 768 . 1 1 67 67 VAL HG13 H 1 -0.29 . . 1 . . . . . . . . 4267 1 769 . 1 1 67 67 VAL HG21 H 1 -0.41 . . 1 . . . . . . . . 4267 1 770 . 1 1 67 67 VAL HG22 H 1 -0.41 . . 1 . . . . . . . . 4267 1 771 . 1 1 67 67 VAL HG23 H 1 -0.41 . . 1 . . . . . . . . 4267 1 772 . 1 1 67 67 VAL C C 13 175.21 . . 1 . . . . . . . . 4267 1 773 . 1 1 67 67 VAL CA C 13 61.32 . . 1 . . . . . . . . 4267 1 774 . 1 1 67 67 VAL CB C 13 32.05 . . 1 . . . . . . . . 4267 1 775 . 1 1 67 67 VAL CG1 C 13 20.0 . . 1 . . . . . . . . 4267 1 776 . 1 1 67 67 VAL CG2 C 13 20.4 . . 1 . . . . . . . . 4267 1 777 . 1 1 67 67 VAL N N 15 130.24 . . 1 . . . . . . . . 4267 1 778 . 1 1 68 68 THR H H 1 8.80 . . 1 . . . . . . . . 4267 1 779 . 1 1 68 68 THR HA H 1 5.00 . . 1 . . . . . . . . 4267 1 780 . 1 1 68 68 THR HB H 1 3.96 . . 1 . . . . . . . . 4267 1 781 . 1 1 68 68 THR HG21 H 1 1.14 . . 1 . . . . . . . . 4267 1 782 . 1 1 68 68 THR HG22 H 1 1.14 . . 1 . . . . . . . . 4267 1 783 . 1 1 68 68 THR HG23 H 1 1.14 . . 1 . . . . . . . . 4267 1 784 . 1 1 68 68 THR C C 13 175.11 . . 1 . . . . . . . . 4267 1 785 . 1 1 68 68 THR CA C 13 61.48 . . 1 . . . . . . . . 4267 1 786 . 1 1 68 68 THR CB C 13 70.47 . . 1 . . . . . . . . 4267 1 787 . 1 1 68 68 THR CG2 C 13 20.7 . . 1 . . . . . . . . 4267 1 788 . 1 1 68 68 THR N N 15 125.19 . . 1 . . . . . . . . 4267 1 789 . 1 1 69 69 SER H H 1 9.43 . . 1 . . . . . . . . 4267 1 790 . 1 1 69 69 SER HA H 1 5.87 . . 1 . . . . . . . . 4267 1 791 . 1 1 69 69 SER HB2 H 1 3.89 . . 1 . . . . . . . . 4267 1 792 . 1 1 69 69 SER HB3 H 1 3.89 . . 1 . . . . . . . . 4267 1 793 . 1 1 69 69 SER C C 13 171.66 . . 1 . . . . . . . . 4267 1 794 . 1 1 69 69 SER CA C 13 57.82 . . 1 . . . . . . . . 4267 1 795 . 1 1 69 69 SER CB C 13 64.52 . . 1 . . . . . . . . 4267 1 796 . 1 1 69 69 SER N N 15 123.88 . . 1 . . . . . . . . 4267 1 797 . 1 1 70 70 VAL H H 1 9.16 . . 1 . . . . . . . . 4267 1 798 . 1 1 70 70 VAL HA H 1 4.59 . . 1 . . . . . . . . 4267 1 799 . 1 1 70 70 VAL HB H 1 1.88 . . 1 . . . . . . . . 4267 1 800 . 1 1 70 70 VAL HG11 H 1 0.76 . . 1 . . . . . . . . 4267 1 801 . 1 1 70 70 VAL HG12 H 1 0.76 . . 1 . . . . . . . . 4267 1 802 . 1 1 70 70 VAL HG13 H 1 0.76 . . 1 . . . . . . . . 4267 1 803 . 1 1 70 70 VAL HG21 H 1 0.76 . . 1 . . . . . . . . 4267 1 804 . 1 1 70 70 VAL HG22 H 1 0.76 . . 1 . . . . . . . . 4267 1 805 . 1 1 70 70 VAL HG23 H 1 0.76 . . 1 . . . . . . . . 4267 1 806 . 1 1 70 70 VAL C C 13 173.58 . . 1 . . . . . . . . 4267 1 807 . 1 1 70 70 VAL CA C 13 60.62 . . 1 . . . . . . . . 4267 1 808 . 1 1 70 70 VAL CB C 13 33.81 . . 1 . . . . . . . . 4267 1 809 . 1 1 70 70 VAL CG1 C 13 20.8 . . 1 . . . . . . . . 4267 1 810 . 1 1 70 70 VAL CG2 C 13 20.8 . . 1 . . . . . . . . 4267 1 811 . 1 1 70 70 VAL N N 15 125.28 . . 1 . . . . . . . . 4267 1 812 . 1 1 71 71 LEU H H 1 8.54 . . 1 . . . . . . . . 4267 1 813 . 1 1 71 71 LEU HA H 1 4.92 . . 1 . . . . . . . . 4267 1 814 . 1 1 71 71 LEU HB2 H 1 1.30 . . 2 . . . . . . . . 4267 1 815 . 1 1 71 71 LEU HB3 H 1 1.43 . . 2 . . . . . . . . 4267 1 816 . 1 1 71 71 LEU HG H 1 1.33 . . 1 . . . . . . . . 4267 1 817 . 1 1 71 71 LEU HD11 H 1 0.32 . . 1 . . . . . . . . 4267 1 818 . 1 1 71 71 LEU HD12 H 1 0.32 . . 1 . . . . . . . . 4267 1 819 . 1 1 71 71 LEU HD13 H 1 0.32 . . 1 . . . . . . . . 4267 1 820 . 1 1 71 71 LEU HD21 H 1 0.48 . . 1 . . . . . . . . 4267 1 821 . 1 1 71 71 LEU HD22 H 1 0.48 . . 1 . . . . . . . . 4267 1 822 . 1 1 71 71 LEU HD23 H 1 0.48 . . 1 . . . . . . . . 4267 1 823 . 1 1 71 71 LEU C C 13 174.91 . . 1 . . . . . . . . 4267 1 824 . 1 1 71 71 LEU CA C 13 53.47 . . 1 . . . . . . . . 4267 1 825 . 1 1 71 71 LEU CB C 13 45.71 . . 1 . . . . . . . . 4267 1 826 . 1 1 71 71 LEU CG C 13 27.4 . . 1 . . . . . . . . 4267 1 827 . 1 1 71 71 LEU CD1 C 13 25.5 . . 1 . . . . . . . . 4267 1 828 . 1 1 71 71 LEU CD2 C 13 25.7 . . 1 . . . . . . . . 4267 1 829 . 1 1 71 71 LEU N N 15 123.88 . . 1 . . . . . . . . 4267 1 830 . 1 1 72 72 PHE H H 1 9.27 . . 1 . . . . . . . . 4267 1 831 . 1 1 72 72 PHE HA H 1 5.35 . . 1 . . . . . . . . 4267 1 832 . 1 1 72 72 PHE HB2 H 1 2.65 . . 1 . . . . . . . . 4267 1 833 . 1 1 72 72 PHE HB3 H 1 3.08 . . 1 . . . . . . . . 4267 1 834 . 1 1 72 72 PHE HD1 H 1 7.12 . . 1 . . . . . . . . 4267 1 835 . 1 1 72 72 PHE HD2 H 1 7.12 . . 1 . . . . . . . . 4267 1 836 . 1 1 72 72 PHE HE1 H 1 6.77 . . 1 . . . . . . . . 4267 1 837 . 1 1 72 72 PHE HE2 H 1 6.77 . . 1 . . . . . . . . 4267 1 838 . 1 1 72 72 PHE C C 13 174.97 . . 1 . . . . . . . . 4267 1 839 . 1 1 72 72 PHE CA C 13 55.52 . . 1 . . . . . . . . 4267 1 840 . 1 1 72 72 PHE CB C 13 40.10 . . 1 . . . . . . . . 4267 1 841 . 1 1 72 72 PHE N N 15 123.01 . . 1 . . . . . . . . 4267 1 842 . 1 1 73 73 ARG H H 1 8.61 . . 1 . . . . . . . . 4267 1 843 . 1 1 73 73 ARG HA H 1 4.32 . . 1 . . . . . . . . 4267 1 844 . 1 1 73 73 ARG HB2 H 1 1.55 . . 2 . . . . . . . . 4267 1 845 . 1 1 73 73 ARG HB3 H 1 1.68 . . 2 . . . . . . . . 4267 1 846 . 1 1 73 73 ARG HG2 H 1 1.49 . . 2 . . . . . . . . 4267 1 847 . 1 1 73 73 ARG HG3 H 1 1.42 . . 2 . . . . . . . . 4267 1 848 . 1 1 73 73 ARG HD2 H 1 3.07 . . 1 . . . . . . . . 4267 1 849 . 1 1 73 73 ARG HD3 H 1 3.07 . . 1 . . . . . . . . 4267 1 850 . 1 1 73 73 ARG C C 13 174.71 . . 1 . . . . . . . . 4267 1 851 . 1 1 73 73 ARG CA C 13 54.94 . . 1 . . . . . . . . 4267 1 852 . 1 1 73 73 ARG CB C 13 32.40 . . 1 . . . . . . . . 4267 1 853 . 1 1 73 73 ARG CG C 13 24.8 . . 1 . . . . . . . . 4267 1 854 . 1 1 73 73 ARG CD C 13 43.9 . . 1 . . . . . . . . 4267 1 855 . 1 1 73 73 ARG N N 15 127.60 . . 1 . . . . . . . . 4267 1 856 . 1 1 74 74 LYS H H 1 8.93 . . 1 . . . . . . . . 4267 1 857 . 1 1 74 74 LYS HA H 1 3.67 . . 1 . . . . . . . . 4267 1 858 . 1 1 74 74 LYS HB2 H 1 1.32 . . 2 . . . . . . . . 4267 1 859 . 1 1 74 74 LYS HB3 H 1 1.81 . . 2 . . . . . . . . 4267 1 860 . 1 1 74 74 LYS C C 13 177.07 . . 1 . . . . . . . . 4267 1 861 . 1 1 74 74 LYS CA C 13 57.2 . . 1 . . . . . . . . 4267 1 862 . 1 1 74 74 LYS CB C 13 30.0 . . 1 . . . . . . . . 4267 1 863 . 1 1 74 74 LYS N N 15 123.36 . . 1 . . . . . . . . 4267 1 864 . 1 1 75 75 LYS H H 1 7.99 . . 1 . . . . . . . . 4267 1 865 . 1 1 75 75 LYS HA H 1 3.43 . . 1 . . . . . . . . 4267 1 866 . 1 1 75 75 LYS HB2 H 1 2.02 . . 1 . . . . . . . . 4267 1 867 . 1 1 75 75 LYS HB3 H 1 2.02 . . 1 . . . . . . . . 4267 1 868 . 1 1 75 75 LYS HG2 H 1 1.31 . . 1 . . . . . . . . 4267 1 869 . 1 1 75 75 LYS HG3 H 1 1.31 . . 1 . . . . . . . . 4267 1 870 . 1 1 75 75 LYS HD2 H 1 1.67 . . 1 . . . . . . . . 4267 1 871 . 1 1 75 75 LYS HD3 H 1 1.67 . . 1 . . . . . . . . 4267 1 872 . 1 1 75 75 LYS HE2 H 1 3.01 . . 1 . . . . . . . . 4267 1 873 . 1 1 75 75 LYS HE3 H 1 3.01 . . 1 . . . . . . . . 4267 1 874 . 1 1 75 75 LYS C C 13 174.91 . . 1 . . . . . . . . 4267 1 875 . 1 1 75 75 LYS CA C 13 57.58 . . 1 . . . . . . . . 4267 1 876 . 1 1 75 75 LYS CB C 13 30.24 . . 1 . . . . . . . . 4267 1 877 . 1 1 75 75 LYS CD C 13 25.4 . . 1 . . . . . . . . 4267 1 878 . 1 1 75 75 LYS CE C 13 42.2 . . 1 . . . . . . . . 4267 1 879 . 1 1 75 75 LYS N N 15 109.33 . . 1 . . . . . . . . 4267 1 880 . 1 1 76 76 LYS H H 1 7.59 . . 1 . . . . . . . . 4267 1 881 . 1 1 76 76 LYS HA H 1 4.78 . . 1 . . . . . . . . 4267 1 882 . 1 1 76 76 LYS HB2 H 1 1.87 . . 2 . . . . . . . . 4267 1 883 . 1 1 76 76 LYS HB3 H 1 1.79 . . 2 . . . . . . . . 4267 1 884 . 1 1 76 76 LYS HG2 H 1 1.70 . . 1 . . . . . . . . 4267 1 885 . 1 1 76 76 LYS HG3 H 1 1.70 . . 1 . . . . . . . . 4267 1 886 . 1 1 76 76 LYS HD2 H 1 1.43 . . 2 . . . . . . . . 4267 1 887 . 1 1 76 76 LYS HD3 H 1 1.30 . . 2 . . . . . . . . 4267 1 888 . 1 1 76 76 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 4267 1 889 . 1 1 76 76 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 4267 1 890 . 1 1 76 76 LYS C C 13 173.83 . . 1 . . . . . . . . 4267 1 891 . 1 1 76 76 LYS CA C 13 54.58 . . 1 . . . . . . . . 4267 1 892 . 1 1 76 76 LYS CB C 13 35.48 . . 1 . . . . . . . . 4267 1 893 . 1 1 76 76 LYS CE C 13 42.2 . . 1 . . . . . . . . 4267 1 894 . 1 1 76 76 LYS N N 15 119.40 . . 1 . . . . . . . . 4267 1 895 . 1 1 77 77 CYS H H 1 8.51 . . 1 . . . . . . . . 4267 1 896 . 1 1 77 77 CYS HA H 1 5.47 . . 1 . . . . . . . . 4267 1 897 . 1 1 77 77 CYS HB2 H 1 2.86 . . 1 . . . . . . . . 4267 1 898 . 1 1 77 77 CYS HB3 H 1 2.86 . . 1 . . . . . . . . 4267 1 899 . 1 1 77 77 CYS C C 13 173.58 . . 1 . . . . . . . . 4267 1 900 . 1 1 77 77 CYS CA C 13 52.87 . . 1 . . . . . . . . 4267 1 901 . 1 1 77 77 CYS CB C 13 36.59 . . 1 . . . . . . . . 4267 1 902 . 1 1 77 77 CYS N N 15 117.74 . . 1 . . . . . . . . 4267 1 903 . 1 1 78 78 ASP H H 1 9.34 . . 1 . . . . . . . . 4267 1 904 . 1 1 78 78 ASP HA H 1 4.96 . . 1 . . . . . . . . 4267 1 905 . 1 1 78 78 ASP HB2 H 1 2.47 . . 2 . . . . . . . . 4267 1 906 . 1 1 78 78 ASP HB3 H 1 2.37 . . 2 . . . . . . . . 4267 1 907 . 1 1 78 78 ASP C C 13 173.63 . . 1 . . . . . . . . 4267 1 908 . 1 1 78 78 ASP CA C 13 52.39 . . 1 . . . . . . . . 4267 1 909 . 1 1 78 78 ASP CB C 13 44.76 . . 1 . . . . . . . . 4267 1 910 . 1 1 78 78 ASP N N 15 127.11 . . 1 . . . . . . . . 4267 1 911 . 1 1 79 79 TYR H H 1 8.24 . . 1 . . . . . . . . 4267 1 912 . 1 1 79 79 TYR HA H 1 5.47 . . 1 . . . . . . . . 4267 1 913 . 1 1 79 79 TYR HB2 H 1 2.85 . . 2 . . . . . . . . 4267 1 914 . 1 1 79 79 TYR HB3 H 1 2.73 . . 2 . . . . . . . . 4267 1 915 . 1 1 79 79 TYR HD1 H 1 7.01 . . 1 . . . . . . . . 4267 1 916 . 1 1 79 79 TYR HD2 H 1 7.01 . . 1 . . . . . . . . 4267 1 917 . 1 1 79 79 TYR HE1 H 1 6.75 . . 1 . . . . . . . . 4267 1 918 . 1 1 79 79 TYR HE2 H 1 6.75 . . 1 . . . . . . . . 4267 1 919 . 1 1 79 79 TYR C C 13 175.60 . . 1 . . . . . . . . 4267 1 920 . 1 1 79 79 TYR CA C 13 56.38 . . 1 . . . . . . . . 4267 1 921 . 1 1 79 79 TYR CB C 13 40.95 . . 1 . . . . . . . . 4267 1 922 . 1 1 79 79 TYR CD1 C 13 133.1 . . 1 . . . . . . . . 4267 1 923 . 1 1 79 79 TYR CD2 C 13 133.1 . . 1 . . . . . . . . 4267 1 924 . 1 1 79 79 TYR N N 15 118.25 . . 1 . . . . . . . . 4267 1 925 . 1 1 80 80 TRP H H 1 9.04 . . 1 . . . . . . . . 4267 1 926 . 1 1 80 80 TRP HA H 1 5.20 . . 1 . . . . . . . . 4267 1 927 . 1 1 80 80 TRP HB2 H 1 2.94 . . 1 . . . . . . . . 4267 1 928 . 1 1 80 80 TRP HB3 H 1 3.14 . . 1 . . . . . . . . 4267 1 929 . 1 1 80 80 TRP HD1 H 1 7.14 . . 1 . . . . . . . . 4267 1 930 . 1 1 80 80 TRP HE1 H 1 10.03 . . 1 . . . . . . . . 4267 1 931 . 1 1 80 80 TRP HZ2 H 1 7.29 . . 1 . . . . . . . . 4267 1 932 . 1 1 80 80 TRP HH2 H 1 6.98 . . 1 . . . . . . . . 4267 1 933 . 1 1 80 80 TRP C C 13 174.99 . . 1 . . . . . . . . 4267 1 934 . 1 1 80 80 TRP CA C 13 54.91 . . 1 . . . . . . . . 4267 1 935 . 1 1 80 80 TRP CB C 13 31.06 . . 1 . . . . . . . . 4267 1 936 . 1 1 80 80 TRP CD1 C 13 125.6 . . 1 . . . . . . . . 4267 1 937 . 1 1 80 80 TRP CZ2 C 13 113.8 . . 1 . . . . . . . . 4267 1 938 . 1 1 80 80 TRP CH2 C 13 124.2 . . 1 . . . . . . . . 4267 1 939 . 1 1 80 80 TRP N N 15 124.94 . . 1 . . . . . . . . 4267 1 940 . 1 1 80 80 TRP NE1 N 15 129.06 . . 1 . . . . . . . . 4267 1 941 . 1 1 81 81 ILE H H 1 9.04 . . 1 . . . . . . . . 4267 1 942 . 1 1 81 81 ILE HA H 1 5.01 . . 1 . . . . . . . . 4267 1 943 . 1 1 81 81 ILE HB H 1 1.66 . . 1 . . . . . . . . 4267 1 944 . 1 1 81 81 ILE HG12 H 1 1.52 . . 2 . . . . . . . . 4267 1 945 . 1 1 81 81 ILE HG13 H 1 1.24 . . 2 . . . . . . . . 4267 1 946 . 1 1 81 81 ILE HG21 H 1 0.80 . . 1 . . . . . . . . 4267 1 947 . 1 1 81 81 ILE HG22 H 1 0.80 . . 1 . . . . . . . . 4267 1 948 . 1 1 81 81 ILE HG23 H 1 0.80 . . 1 . . . . . . . . 4267 1 949 . 1 1 81 81 ILE HD11 H 1 0.87 . . 1 . . . . . . . . 4267 1 950 . 1 1 81 81 ILE HD12 H 1 0.87 . . 1 . . . . . . . . 4267 1 951 . 1 1 81 81 ILE HD13 H 1 0.87 . . 1 . . . . . . . . 4267 1 952 . 1 1 81 81 ILE C C 13 175.21 . . 1 . . . . . . . . 4267 1 953 . 1 1 81 81 ILE CA C 13 60.73 . . 1 . . . . . . . . 4267 1 954 . 1 1 81 81 ILE CB C 13 40.00 . . 1 . . . . . . . . 4267 1 955 . 1 1 81 81 ILE CG1 C 13 28.2 . . 1 . . . . . . . . 4267 1 956 . 1 1 81 81 ILE CG2 C 13 17.5 . . 1 . . . . . . . . 4267 1 957 . 1 1 81 81 ILE CD1 C 13 13.7 . . 1 . . . . . . . . 4267 1 958 . 1 1 81 81 ILE N N 15 130.09 . . 1 . . . . . . . . 4267 1 959 . 1 1 82 82 ARG H H 1 8.88 . . 1 . . . . . . . . 4267 1 960 . 1 1 82 82 ARG HA H 1 4.55 . . 1 . . . . . . . . 4267 1 961 . 1 1 82 82 ARG HB2 H 1 1.72 . . 2 . . . . . . . . 4267 1 962 . 1 1 82 82 ARG HB3 H 1 1.56 . . 2 . . . . . . . . 4267 1 963 . 1 1 82 82 ARG C C 13 173.14 . . 1 . . . . . . . . 4267 1 964 . 1 1 82 82 ARG CA C 13 54.34 . . 1 . . . . . . . . 4267 1 965 . 1 1 82 82 ARG CB C 13 33.73 . . 1 . . . . . . . . 4267 1 966 . 1 1 82 82 ARG N N 15 126.67 . . 1 . . . . . . . . 4267 1 967 . 1 1 83 83 THR H H 1 8.36 . . 1 . . . . . . . . 4267 1 968 . 1 1 83 83 THR HA H 1 5.38 . . 1 . . . . . . . . 4267 1 969 . 1 1 83 83 THR HB H 1 3.96 . . 1 . . . . . . . . 4267 1 970 . 1 1 83 83 THR HG21 H 1 1.28 . . 1 . . . . . . . . 4267 1 971 . 1 1 83 83 THR HG22 H 1 1.28 . . 1 . . . . . . . . 4267 1 972 . 1 1 83 83 THR HG23 H 1 1.28 . . 1 . . . . . . . . 4267 1 973 . 1 1 83 83 THR C C 13 174.42 . . 1 . . . . . . . . 4267 1 974 . 1 1 83 83 THR CA C 13 60.87 . . 1 . . . . . . . . 4267 1 975 . 1 1 83 83 THR CB C 13 71.04 . . 1 . . . . . . . . 4267 1 976 . 1 1 83 83 THR CG2 C 13 21.7 . . 1 . . . . . . . . 4267 1 977 . 1 1 83 83 THR N N 15 114.77 . . 1 . . . . . . . . 4267 1 978 . 1 1 84 84 PHE H H 1 9.32 . . 1 . . . . . . . . 4267 1 979 . 1 1 84 84 PHE HA H 1 6.08 . . 1 . . . . . . . . 4267 1 980 . 1 1 84 84 PHE HB2 H 1 3.08 . . 1 . . . . . . . . 4267 1 981 . 1 1 84 84 PHE HB3 H 1 3.27 . . 1 . . . . . . . . 4267 1 982 . 1 1 84 84 PHE HD1 H 1 6.97 . . 1 . . . . . . . . 4267 1 983 . 1 1 84 84 PHE HD2 H 1 6.97 . . 1 . . . . . . . . 4267 1 984 . 1 1 84 84 PHE HE1 H 1 7.42 . . 1 . . . . . . . . 4267 1 985 . 1 1 84 84 PHE HE2 H 1 7.42 . . 1 . . . . . . . . 4267 1 986 . 1 1 84 84 PHE C C 13 174.86 . . 1 . . . . . . . . 4267 1 987 . 1 1 84 84 PHE CA C 13 52.01 . . 1 . . . . . . . . 4267 1 988 . 1 1 84 84 PHE CB C 13 39.29 . . 1 . . . . . . . . 4267 1 989 . 1 1 84 84 PHE CD1 C 13 128.6 . . 1 . . . . . . . . 4267 1 990 . 1 1 84 84 PHE CD2 C 13 128.6 . . 1 . . . . . . . . 4267 1 991 . 1 1 84 84 PHE CE1 C 13 129.1 . . 1 . . . . . . . . 4267 1 992 . 1 1 84 84 PHE CE2 C 13 129.1 . . 1 . . . . . . . . 4267 1 993 . 1 1 84 84 PHE N N 15 126.56 . . 1 . . . . . . . . 4267 1 994 . 1 1 85 85 VAL H H 1 9.37 . . 1 . . . . . . . . 4267 1 995 . 1 1 85 85 VAL HA H 1 4.92 . . 1 . . . . . . . . 4267 1 996 . 1 1 85 85 VAL HB H 1 2.23 . . 1 . . . . . . . . 4267 1 997 . 1 1 85 85 VAL HG11 H 1 0.95 . . 1 . . . . . . . . 4267 1 998 . 1 1 85 85 VAL HG12 H 1 0.95 . . 1 . . . . . . . . 4267 1 999 . 1 1 85 85 VAL HG13 H 1 0.95 . . 1 . . . . . . . . 4267 1 1000 . 1 1 85 85 VAL HG21 H 1 1.09 . . 1 . . . . . . . . 4267 1 1001 . 1 1 85 85 VAL HG22 H 1 1.09 . . 1 . . . . . . . . 4267 1 1002 . 1 1 85 85 VAL HG23 H 1 1.09 . . 1 . . . . . . . . 4267 1 1003 . 1 1 85 85 VAL CA C 13 58.50 . . 1 . . . . . . . . 4267 1 1004 . 1 1 85 85 VAL CB C 13 32.40 . . 1 . . . . . . . . 4267 1 1005 . 1 1 85 85 VAL CG1 C 13 20.2 . . 1 . . . . . . . . 4267 1 1006 . 1 1 85 85 VAL CG2 C 13 21.3 . . 1 . . . . . . . . 4267 1 1007 . 1 1 85 85 VAL N N 15 121.44 . . 1 . . . . . . . . 4267 1 1008 . 1 1 86 86 PRO HA H 1 4.28 . . 1 . . . . . . . . 4267 1 1009 . 1 1 86 86 PRO HB2 H 1 2.45 . . 1 . . . . . . . . 4267 1 1010 . 1 1 86 86 PRO HB3 H 1 2.03 . . 1 . . . . . . . . 4267 1 1011 . 1 1 86 86 PRO HD2 H 1 3.91 . . 1 . . . . . . . . 4267 1 1012 . 1 1 86 86 PRO HD3 H 1 3.91 . . 1 . . . . . . . . 4267 1 1013 . 1 1 86 86 PRO C C 13 177.37 . . 1 . . . . . . . . 4267 1 1014 . 1 1 86 86 PRO CA C 13 64.48 . . 1 . . . . . . . . 4267 1 1015 . 1 1 86 86 PRO CB C 13 32.62 . . 1 . . . . . . . . 4267 1 1016 . 1 1 86 86 PRO CD C 13 50.8 . . 1 . . . . . . . . 4267 1 1017 . 1 1 87 87 GLY H H 1 8.25 . . 1 . . . . . . . . 4267 1 1018 . 1 1 87 87 GLY HA2 H 1 3.46 . . 1 . . . . . . . . 4267 1 1019 . 1 1 87 87 GLY HA3 H 1 4.45 . . 1 . . . . . . . . 4267 1 1020 . 1 1 87 87 GLY C C 13 174.52 . . 1 . . . . . . . . 4267 1 1021 . 1 1 87 87 GLY CA C 13 43.05 . . 1 . . . . . . . . 4267 1 1022 . 1 1 87 87 GLY N N 15 111.57 . . 1 . . . . . . . . 4267 1 1023 . 1 1 88 88 CYS H H 1 9.23 . . 1 . . . . . . . . 4267 1 1024 . 1 1 88 88 CYS HA H 1 4.41 . . 1 . . . . . . . . 4267 1 1025 . 1 1 88 88 CYS HB2 H 1 3.11 . . 1 . . . . . . . . 4267 1 1026 . 1 1 88 88 CYS HB3 H 1 3.25 . . 1 . . . . . . . . 4267 1 1027 . 1 1 88 88 CYS C C 13 174.37 . . 1 . . . . . . . . 4267 1 1028 . 1 1 88 88 CYS CA C 13 57.26 . . 1 . . . . . . . . 4267 1 1029 . 1 1 88 88 CYS CB C 13 40.24 . . 1 . . . . . . . . 4267 1 1030 . 1 1 88 88 CYS N N 15 119.88 . . 1 . . . . . . . . 4267 1 1031 . 1 1 89 89 GLN H H 1 7.52 . . 1 . . . . . . . . 4267 1 1032 . 1 1 89 89 GLN HA H 1 4.82 . . 1 . . . . . . . . 4267 1 1033 . 1 1 89 89 GLN HB2 H 1 1.93 . . 1 . . . . . . . . 4267 1 1034 . 1 1 89 89 GLN HB3 H 1 1.65 . . 1 . . . . . . . . 4267 1 1035 . 1 1 89 89 GLN HG2 H 1 2.14 . . 2 . . . . . . . . 4267 1 1036 . 1 1 89 89 GLN HG3 H 1 1.95 . . 2 . . . . . . . . 4267 1 1037 . 1 1 89 89 GLN HE21 H 1 7.21 . . 1 . . . . . . . . 4267 1 1038 . 1 1 89 89 GLN HE22 H 1 6.67 . . 1 . . . . . . . . 4267 1 1039 . 1 1 89 89 GLN CA C 13 52.36 . . 1 . . . . . . . . 4267 1 1040 . 1 1 89 89 GLN CB C 13 30.05 . . 1 . . . . . . . . 4267 1 1041 . 1 1 89 89 GLN CG C 13 32.95 . . 1 . . . . . . . . 4267 1 1042 . 1 1 89 89 GLN CD C 13 180.06 . . 1 . . . . . . . . 4267 1 1043 . 1 1 89 89 GLN N N 15 116.25 . . 1 . . . . . . . . 4267 1 1044 . 1 1 89 89 GLN NE2 N 15 111.82 . . 1 . . . . . . . . 4267 1 1045 . 1 1 90 90 PRO HA H 1 4.48 . . 1 . . . . . . . . 4267 1 1046 . 1 1 90 90 PRO HB2 H 1 2.11 . . 2 . . . . . . . . 4267 1 1047 . 1 1 90 90 PRO HB3 H 1 2.62 . . 2 . . . . . . . . 4267 1 1048 . 1 1 90 90 PRO HG2 H 1 2.10 . . 2 . . . . . . . . 4267 1 1049 . 1 1 90 90 PRO HG3 H 1 1.95 . . 2 . . . . . . . . 4267 1 1050 . 1 1 90 90 PRO HD2 H 1 3.96 . . 2 . . . . . . . . 4267 1 1051 . 1 1 90 90 PRO HD3 H 1 3.64 . . 2 . . . . . . . . 4267 1 1052 . 1 1 90 90 PRO C C 13 177.32 . . 1 . . . . . . . . 4267 1 1053 . 1 1 90 90 PRO CA C 13 63.23 . . 1 . . . . . . . . 4267 1 1054 . 1 1 90 90 PRO CB C 13 31.67 . . 1 . . . . . . . . 4267 1 1055 . 1 1 90 90 PRO CG C 13 28.0 . . 1 . . . . . . . . 4267 1 1056 . 1 1 90 90 PRO CD C 13 50.8 . . 1 . . . . . . . . 4267 1 1057 . 1 1 91 91 GLY H H 1 8.33 . . 1 . . . . . . . . 4267 1 1058 . 1 1 91 91 GLY HA2 H 1 1.89 . . 1 . . . . . . . . 4267 1 1059 . 1 1 91 91 GLY HA3 H 1 3.78 . . 1 . . . . . . . . 4267 1 1060 . 1 1 91 91 GLY C C 13 171.02 . . 1 . . . . . . . . 4267 1 1061 . 1 1 91 91 GLY CA C 13 44.17 . . 1 . . . . . . . . 4267 1 1062 . 1 1 91 91 GLY N N 15 112.73 . . 1 . . . . . . . . 4267 1 1063 . 1 1 92 92 GLU H H 1 7.59 . . 1 . . . . . . . . 4267 1 1064 . 1 1 92 92 GLU HA H 1 5.43 . . 1 . . . . . . . . 4267 1 1065 . 1 1 92 92 GLU HB2 H 1 1.96 . . 2 . . . . . . . . 4267 1 1066 . 1 1 92 92 GLU HB3 H 1 1.92 . . 2 . . . . . . . . 4267 1 1067 . 1 1 92 92 GLU HG2 H 1 2.24 . . 2 . . . . . . . . 4267 1 1068 . 1 1 92 92 GLU HG3 H 1 2.06 . . 2 . . . . . . . . 4267 1 1069 . 1 1 92 92 GLU C C 13 176.78 . . 1 . . . . . . . . 4267 1 1070 . 1 1 92 92 GLU CA C 13 53.57 . . 1 . . . . . . . . 4267 1 1071 . 1 1 92 92 GLU CB C 13 33.57 . . 1 . . . . . . . . 4267 1 1072 . 1 1 92 92 GLU CG C 13 38.6 . . 1 . . . . . . . . 4267 1 1073 . 1 1 92 92 GLU N N 15 118.45 . . 1 . . . . . . . . 4267 1 1074 . 1 1 93 93 PHE H H 1 9.24 . . 1 . . . . . . . . 4267 1 1075 . 1 1 93 93 PHE HA H 1 5.33 . . 1 . . . . . . . . 4267 1 1076 . 1 1 93 93 PHE HB2 H 1 2.30 . . 1 . . . . . . . . 4267 1 1077 . 1 1 93 93 PHE HB3 H 1 3.32 . . 1 . . . . . . . . 4267 1 1078 . 1 1 93 93 PHE HD1 H 1 6.82 . . 1 . . . . . . . . 4267 1 1079 . 1 1 93 93 PHE HD2 H 1 6.82 . . 1 . . . . . . . . 4267 1 1080 . 1 1 93 93 PHE HE1 H 1 7.06 . . 1 . . . . . . . . 4267 1 1081 . 1 1 93 93 PHE HE2 H 1 7.06 . . 1 . . . . . . . . 4267 1 1082 . 1 1 93 93 PHE C C 13 174.47 . . 1 . . . . . . . . 4267 1 1083 . 1 1 93 93 PHE CA C 13 56.08 . . 1 . . . . . . . . 4267 1 1084 . 1 1 93 93 PHE CB C 13 43.81 . . 1 . . . . . . . . 4267 1 1085 . 1 1 93 93 PHE CD1 C 13 131.2 . . 1 . . . . . . . . 4267 1 1086 . 1 1 93 93 PHE CD2 C 13 131.2 . . 1 . . . . . . . . 4267 1 1087 . 1 1 93 93 PHE N N 15 120.27 . . 1 . . . . . . . . 4267 1 1088 . 1 1 94 94 THR H H 1 9.30 . . 1 . . . . . . . . 4267 1 1089 . 1 1 94 94 THR HA H 1 5.15 . . 1 . . . . . . . . 4267 1 1090 . 1 1 94 94 THR HB H 1 4.53 . . 1 . . . . . . . . 4267 1 1091 . 1 1 94 94 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4267 1 1092 . 1 1 94 94 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4267 1 1093 . 1 1 94 94 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4267 1 1094 . 1 1 94 94 THR C C 13 173.88 . . 1 . . . . . . . . 4267 1 1095 . 1 1 94 94 THR CA C 13 59.34 . . 1 . . . . . . . . 4267 1 1096 . 1 1 94 94 THR CB C 13 70.93 . . 1 . . . . . . . . 4267 1 1097 . 1 1 94 94 THR CG2 C 13 20.1 . . 1 . . . . . . . . 4267 1 1098 . 1 1 94 94 THR N N 15 112.81 . . 1 . . . . . . . . 4267 1 1099 . 1 1 95 95 LEU H H 1 7.79 . . 1 . . . . . . . . 4267 1 1100 . 1 1 95 95 LEU HA H 1 4.92 . . 1 . . . . . . . . 4267 1 1101 . 1 1 95 95 LEU HB2 H 1 1.13 . . 1 . . . . . . . . 4267 1 1102 . 1 1 95 95 LEU HB3 H 1 1.68 . . 1 . . . . . . . . 4267 1 1103 . 1 1 95 95 LEU HG H 1 1.56 . . 1 . . . . . . . . 4267 1 1104 . 1 1 95 95 LEU HD11 H 1 0.54 . . 1 . . . . . . . . 4267 1 1105 . 1 1 95 95 LEU HD12 H 1 0.54 . . 1 . . . . . . . . 4267 1 1106 . 1 1 95 95 LEU HD13 H 1 0.54 . . 1 . . . . . . . . 4267 1 1107 . 1 1 95 95 LEU HD21 H 1 0.15 . . 1 . . . . . . . . 4267 1 1108 . 1 1 95 95 LEU HD22 H 1 0.15 . . 1 . . . . . . . . 4267 1 1109 . 1 1 95 95 LEU HD23 H 1 0.15 . . 1 . . . . . . . . 4267 1 1110 . 1 1 95 95 LEU C C 13 177.52 . . 1 . . . . . . . . 4267 1 1111 . 1 1 95 95 LEU CA C 13 54.30 . . 1 . . . . . . . . 4267 1 1112 . 1 1 95 95 LEU CB C 13 43.81 . . 1 . . . . . . . . 4267 1 1113 . 1 1 95 95 LEU CD1 C 13 23.7 . . 1 . . . . . . . . 4267 1 1114 . 1 1 95 95 LEU CD2 C 13 25.7 . . 1 . . . . . . . . 4267 1 1115 . 1 1 95 95 LEU N N 15 122.72 . . 1 . . . . . . . . 4267 1 1116 . 1 1 96 96 GLY H H 1 9.30 . . 1 . . . . . . . . 4267 1 1117 . 1 1 96 96 GLY HA2 H 1 3.63 . . 1 . . . . . . . . 4267 1 1118 . 1 1 96 96 GLY HA3 H 1 4.15 . . 1 . . . . . . . . 4267 1 1119 . 1 1 96 96 GLY C C 13 174.12 . . 1 . . . . . . . . 4267 1 1120 . 1 1 96 96 GLY CA C 13 45.72 . . 1 . . . . . . . . 4267 1 1121 . 1 1 96 96 GLY N N 15 113.66 . . 1 . . . . . . . . 4267 1 1122 . 1 1 97 97 ASN H H 1 8.92 . . 1 . . . . . . . . 4267 1 1123 . 1 1 97 97 ASN HA H 1 4.64 . . 1 . . . . . . . . 4267 1 1124 . 1 1 97 97 ASN HB2 H 1 3.16 . . 2 . . . . . . . . 4267 1 1125 . 1 1 97 97 ASN HB3 H 1 2.84 . . 2 . . . . . . . . 4267 1 1126 . 1 1 97 97 ASN HD21 H 1 7.63 . . 1 . . . . . . . . 4267 1 1127 . 1 1 97 97 ASN HD22 H 1 6.93 . . 1 . . . . . . . . 4267 1 1128 . 1 1 97 97 ASN C C 13 176.78 . . 1 . . . . . . . . 4267 1 1129 . 1 1 97 97 ASN CA C 13 53.36 . . 1 . . . . . . . . 4267 1 1130 . 1 1 97 97 ASN CB C 13 36.91 . . 1 . . . . . . . . 4267 1 1131 . 1 1 97 97 ASN CG C 13 178.66 . . 1 . . . . . . . . 4267 1 1132 . 1 1 97 97 ASN N N 15 119.00 . . 1 . . . . . . . . 4267 1 1133 . 1 1 97 97 ASN ND2 N 15 112.11 . . 1 . . . . . . . . 4267 1 1134 . 1 1 98 98 ILE H H 1 7.80 . . 1 . . . . . . . . 4267 1 1135 . 1 1 98 98 ILE HA H 1 3.99 . . 1 . . . . . . . . 4267 1 1136 . 1 1 98 98 ILE HB H 1 2.07 . . 1 . . . . . . . . 4267 1 1137 . 1 1 98 98 ILE HG12 H 1 1.63 . . 2 . . . . . . . . 4267 1 1138 . 1 1 98 98 ILE HG13 H 1 1.46 . . 2 . . . . . . . . 4267 1 1139 . 1 1 98 98 ILE HG21 H 1 1.08 . . 1 . . . . . . . . 4267 1 1140 . 1 1 98 98 ILE HG22 H 1 1.08 . . 1 . . . . . . . . 4267 1 1141 . 1 1 98 98 ILE HG23 H 1 1.08 . . 1 . . . . . . . . 4267 1 1142 . 1 1 98 98 ILE HD11 H 1 0.96 . . 1 . . . . . . . . 4267 1 1143 . 1 1 98 98 ILE HD12 H 1 0.96 . . 1 . . . . . . . . 4267 1 1144 . 1 1 98 98 ILE HD13 H 1 0.96 . . 1 . . . . . . . . 4267 1 1145 . 1 1 98 98 ILE C C 13 176.54 . . 1 . . . . . . . . 4267 1 1146 . 1 1 98 98 ILE CA C 13 65.41 . . 1 . . . . . . . . 4267 1 1147 . 1 1 98 98 ILE CB C 13 38.55 . . 1 . . . . . . . . 4267 1 1148 . 1 1 98 98 ILE CG1 C 13 29.8 . . 1 . . . . . . . . 4267 1 1149 . 1 1 98 98 ILE CG2 C 13 16.5 . . 1 . . . . . . . . 4267 1 1150 . 1 1 98 98 ILE CD1 C 13 14.1 . . 1 . . . . . . . . 4267 1 1151 . 1 1 98 98 ILE N N 15 119.75 . . 1 . . . . . . . . 4267 1 1152 . 1 1 99 99 LYS H H 1 8.36 . . 1 . . . . . . . . 4267 1 1153 . 1 1 99 99 LYS HA H 1 4.32 . . 1 . . . . . . . . 4267 1 1154 . 1 1 99 99 LYS HB2 H 1 1.91 . . 1 . . . . . . . . 4267 1 1155 . 1 1 99 99 LYS HB3 H 1 1.91 . . 1 . . . . . . . . 4267 1 1156 . 1 1 99 99 LYS HG2 H 1 1.57 . . 1 . . . . . . . . 4267 1 1157 . 1 1 99 99 LYS HG3 H 1 1.57 . . 1 . . . . . . . . 4267 1 1158 . 1 1 99 99 LYS HD2 H 1 1.76 . . 1 . . . . . . . . 4267 1 1159 . 1 1 99 99 LYS HD3 H 1 1.76 . . 1 . . . . . . . . 4267 1 1160 . 1 1 99 99 LYS HE2 H 1 3.07 . . 1 . . . . . . . . 4267 1 1161 . 1 1 99 99 LYS HE3 H 1 3.07 . . 1 . . . . . . . . 4267 1 1162 . 1 1 99 99 LYS C C 13 177.67 . . 1 . . . . . . . . 4267 1 1163 . 1 1 99 99 LYS CA C 13 57.73 . . 1 . . . . . . . . 4267 1 1164 . 1 1 99 99 LYS CB C 13 31.19 . . 1 . . . . . . . . 4267 1 1165 . 1 1 99 99 LYS CG C 13 25.3 . . 1 . . . . . . . . 4267 1 1166 . 1 1 99 99 LYS CD C 13 29.0 . . 1 . . . . . . . . 4267 1 1167 . 1 1 99 99 LYS CE C 13 42.1 . . 1 . . . . . . . . 4267 1 1168 . 1 1 99 99 LYS N N 15 118.60 . . 1 . . . . . . . . 4267 1 1169 . 1 1 100 100 SER H H 1 8.19 . . 1 . . . . . . . . 4267 1 1170 . 1 1 100 100 SER HA H 1 4.27 . . 1 . . . . . . . . 4267 1 1171 . 1 1 100 100 SER HB2 H 1 3.77 . . 2 . . . . . . . . 4267 1 1172 . 1 1 100 100 SER HB3 H 1 3.82 . . 2 . . . . . . . . 4267 1 1173 . 1 1 100 100 SER C C 13 172.74 . . 1 . . . . . . . . 4267 1 1174 . 1 1 100 100 SER CA C 13 59.41 . . 1 . . . . . . . . 4267 1 1175 . 1 1 100 100 SER CB C 13 63.33 . . 1 . . . . . . . . 4267 1 1176 . 1 1 100 100 SER N N 15 114.48 . . 1 . . . . . . . . 4267 1 1177 . 1 1 101 101 TYR H H 1 7.88 . . 1 . . . . . . . . 4267 1 1178 . 1 1 101 101 TYR HA H 1 4.87 . . 1 . . . . . . . . 4267 1 1179 . 1 1 101 101 TYR HB2 H 1 3.23 . . 1 . . . . . . . . 4267 1 1180 . 1 1 101 101 TYR HB3 H 1 2.93 . . 1 . . . . . . . . 4267 1 1181 . 1 1 101 101 TYR HD1 H 1 7.24 . . 1 . . . . . . . . 4267 1 1182 . 1 1 101 101 TYR HD2 H 1 7.24 . . 1 . . . . . . . . 4267 1 1183 . 1 1 101 101 TYR HE1 H 1 6.85 . . 1 . . . . . . . . 4267 1 1184 . 1 1 101 101 TYR HE2 H 1 6.85 . . 1 . . . . . . . . 4267 1 1185 . 1 1 101 101 TYR CA C 13 55.01 . . 1 . . . . . . . . 4267 1 1186 . 1 1 101 101 TYR CB C 13 37.96 . . 1 . . . . . . . . 4267 1 1187 . 1 1 101 101 TYR CD1 C 13 134.1 . . 1 . . . . . . . . 4267 1 1188 . 1 1 101 101 TYR CD2 C 13 134.1 . . 1 . . . . . . . . 4267 1 1189 . 1 1 101 101 TYR CE1 C 13 132.9 . . 1 . . . . . . . . 4267 1 1190 . 1 1 101 101 TYR CE2 C 13 132.9 . . 1 . . . . . . . . 4267 1 1191 . 1 1 101 101 TYR N N 15 123.52 . . 1 . . . . . . . . 4267 1 1192 . 1 1 102 102 PRO HA H 1 4.37 . . 1 . . . . . . . . 4267 1 1193 . 1 1 102 102 PRO HB2 H 1 2.33 . . 1 . . . . . . . . 4267 1 1194 . 1 1 102 102 PRO HB3 H 1 1.97 . . 1 . . . . . . . . 4267 1 1195 . 1 1 102 102 PRO HD2 H 1 3.91 . . 2 . . . . . . . . 4267 1 1196 . 1 1 102 102 PRO HD3 H 1 3.88 . . 2 . . . . . . . . 4267 1 1197 . 1 1 102 102 PRO C C 13 178.69 . . 1 . . . . . . . . 4267 1 1198 . 1 1 102 102 PRO CA C 13 63.80 . . 1 . . . . . . . . 4267 1 1199 . 1 1 102 102 PRO CB C 13 31.67 . . 1 . . . . . . . . 4267 1 1200 . 1 1 102 102 PRO CD C 13 50.6 . . 1 . . . . . . . . 4267 1 1201 . 1 1 103 103 GLY H H 1 8.96 . . 1 . . . . . . . . 4267 1 1202 . 1 1 103 103 GLY HA2 H 1 4.22 . . 1 . . . . . . . . 4267 1 1203 . 1 1 103 103 GLY HA3 H 1 3.87 . . 1 . . . . . . . . 4267 1 1204 . 1 1 103 103 GLY C C 13 173.78 . . 1 . . . . . . . . 4267 1 1205 . 1 1 103 103 GLY CA C 13 45.69 . . 1 . . . . . . . . 4267 1 1206 . 1 1 103 103 GLY N N 15 112.28 . . 1 . . . . . . . . 4267 1 1207 . 1 1 104 104 LEU H H 1 7.92 . . 1 . . . . . . . . 4267 1 1208 . 1 1 104 104 LEU HA H 1 4.96 . . 1 . . . . . . . . 4267 1 1209 . 1 1 104 104 LEU HB2 H 1 1.73 . . 1 . . . . . . . . 4267 1 1210 . 1 1 104 104 LEU HB3 H 1 2.08 . . 1 . . . . . . . . 4267 1 1211 . 1 1 104 104 LEU HG H 1 1.69 . . 1 . . . . . . . . 4267 1 1212 . 1 1 104 104 LEU HD11 H 1 0.93 . . 1 . . . . . . . . 4267 1 1213 . 1 1 104 104 LEU HD12 H 1 0.93 . . 1 . . . . . . . . 4267 1 1214 . 1 1 104 104 LEU HD13 H 1 0.93 . . 1 . . . . . . . . 4267 1 1215 . 1 1 104 104 LEU HD21 H 1 1.09 . . 1 . . . . . . . . 4267 1 1216 . 1 1 104 104 LEU HD22 H 1 1.09 . . 1 . . . . . . . . 4267 1 1217 . 1 1 104 104 LEU HD23 H 1 1.09 . . 1 . . . . . . . . 4267 1 1218 . 1 1 104 104 LEU C C 13 176.83 . . 1 . . . . . . . . 4267 1 1219 . 1 1 104 104 LEU CA C 13 54.98 . . 1 . . . . . . . . 4267 1 1220 . 1 1 104 104 LEU CB C 13 43.10 . . 1 . . . . . . . . 4267 1 1221 . 1 1 104 104 LEU CD1 C 13 26.3 . . 1 . . . . . . . . 4267 1 1222 . 1 1 104 104 LEU CD2 C 13 25.3 . . 1 . . . . . . . . 4267 1 1223 . 1 1 104 104 LEU N N 15 123.61 . . 1 . . . . . . . . 4267 1 1224 . 1 1 105 105 THR H H 1 8.96 . . 1 . . . . . . . . 4267 1 1225 . 1 1 105 105 THR HA H 1 4.55 . . 1 . . . . . . . . 4267 1 1226 . 1 1 105 105 THR HB H 1 4.19 . . 1 . . . . . . . . 4267 1 1227 . 1 1 105 105 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4267 1 1228 . 1 1 105 105 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4267 1 1229 . 1 1 105 105 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4267 1 1230 . 1 1 105 105 THR C C 13 175.01 . . 1 . . . . . . . . 4267 1 1231 . 1 1 105 105 THR CA C 13 62.95 . . 1 . . . . . . . . 4267 1 1232 . 1 1 105 105 THR CB C 13 69.53 . . 1 . . . . . . . . 4267 1 1233 . 1 1 105 105 THR CG2 C 13 20.1 . . 1 . . . . . . . . 4267 1 1234 . 1 1 105 105 THR N N 15 116.92 . . 1 . . . . . . . . 4267 1 1235 . 1 1 106 106 SER H H 1 7.75 . . 1 . . . . . . . . 4267 1 1236 . 1 1 106 106 SER HA H 1 4.68 . . 1 . . . . . . . . 4267 1 1237 . 1 1 106 106 SER HB2 H 1 3.94 . . 2 . . . . . . . . 4267 1 1238 . 1 1 106 106 SER HB3 H 1 3.80 . . 2 . . . . . . . . 4267 1 1239 . 1 1 106 106 SER C C 13 172.50 . . 1 . . . . . . . . 4267 1 1240 . 1 1 106 106 SER CA C 13 57.88 . . 1 . . . . . . . . 4267 1 1241 . 1 1 106 106 SER CB C 13 64.46 . . 1 . . . . . . . . 4267 1 1242 . 1 1 106 106 SER N N 15 113.35 . . 1 . . . . . . . . 4267 1 1243 . 1 1 107 107 TYR H H 1 8.85 . . 1 . . . . . . . . 4267 1 1244 . 1 1 107 107 TYR HA H 1 5.15 . . 1 . . . . . . . . 4267 1 1245 . 1 1 107 107 TYR HB2 H 1 2.83 . . 1 . . . . . . . . 4267 1 1246 . 1 1 107 107 TYR HB3 H 1 3.10 . . 1 . . . . . . . . 4267 1 1247 . 1 1 107 107 TYR HD1 H 1 6.83 . . 1 . . . . . . . . 4267 1 1248 . 1 1 107 107 TYR HD2 H 1 6.83 . . 1 . . . . . . . . 4267 1 1249 . 1 1 107 107 TYR HE1 H 1 6.68 . . 1 . . . . . . . . 4267 1 1250 . 1 1 107 107 TYR HE2 H 1 6.68 . . 1 . . . . . . . . 4267 1 1251 . 1 1 107 107 TYR C C 13 172.89 . . 1 . . . . . . . . 4267 1 1252 . 1 1 107 107 TYR CA C 13 58.65 . . 1 . . . . . . . . 4267 1 1253 . 1 1 107 107 TYR CB C 13 42.52 . . 1 . . . . . . . . 4267 1 1254 . 1 1 107 107 TYR CD1 C 13 132.9 . . 1 . . . . . . . . 4267 1 1255 . 1 1 107 107 TYR CD2 C 13 132.9 . . 1 . . . . . . . . 4267 1 1256 . 1 1 107 107 TYR N N 15 124.72 . . 1 . . . . . . . . 4267 1 1257 . 1 1 108 108 LEU H H 1 9.08 . . 1 . . . . . . . . 4267 1 1258 . 1 1 108 108 LEU HA H 1 5.10 . . 1 . . . . . . . . 4267 1 1259 . 1 1 108 108 LEU HB2 H 1 1.66 . . 2 . . . . . . . . 4267 1 1260 . 1 1 108 108 LEU HB3 H 1 1.68 . . 2 . . . . . . . . 4267 1 1261 . 1 1 108 108 LEU HG H 1 1.60 . . 1 . . . . . . . . 4267 1 1262 . 1 1 108 108 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 4267 1 1263 . 1 1 108 108 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 4267 1 1264 . 1 1 108 108 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 4267 1 1265 . 1 1 108 108 LEU HD21 H 1 0.99 . . 2 . . . . . . . . 4267 1 1266 . 1 1 108 108 LEU HD22 H 1 0.99 . . 2 . . . . . . . . 4267 1 1267 . 1 1 108 108 LEU HD23 H 1 0.99 . . 2 . . . . . . . . 4267 1 1268 . 1 1 108 108 LEU C C 13 173.09 . . 1 . . . . . . . . 4267 1 1269 . 1 1 108 108 LEU CA C 13 54.16 . . 1 . . . . . . . . 4267 1 1270 . 1 1 108 108 LEU CB C 13 46.32 . . 1 . . . . . . . . 4267 1 1271 . 1 1 108 108 LEU CD1 C 13 26.0 . . 2 . . . . . . . . 4267 1 1272 . 1 1 108 108 LEU CD2 C 13 24.1 . . 2 . . . . . . . . 4267 1 1273 . 1 1 108 108 LEU N N 15 132.37 . . 1 . . . . . . . . 4267 1 1274 . 1 1 109 109 VAL H H 1 8.69 . . 1 . . . . . . . . 4267 1 1275 . 1 1 109 109 VAL HA H 1 4.59 . . 1 . . . . . . . . 4267 1 1276 . 1 1 109 109 VAL HB H 1 1.62 . . 1 . . . . . . . . 4267 1 1277 . 1 1 109 109 VAL HG11 H 1 0.32 . . 1 . . . . . . . . 4267 1 1278 . 1 1 109 109 VAL HG12 H 1 0.32 . . 1 . . . . . . . . 4267 1 1279 . 1 1 109 109 VAL HG13 H 1 0.32 . . 1 . . . . . . . . 4267 1 1280 . 1 1 109 109 VAL HG21 H 1 0.28 . . 1 . . . . . . . . 4267 1 1281 . 1 1 109 109 VAL HG22 H 1 0.28 . . 1 . . . . . . . . 4267 1 1282 . 1 1 109 109 VAL HG23 H 1 0.28 . . 1 . . . . . . . . 4267 1 1283 . 1 1 109 109 VAL C C 13 175.40 . . 1 . . . . . . . . 4267 1 1284 . 1 1 109 109 VAL CA C 13 60.00 . . 1 . . . . . . . . 4267 1 1285 . 1 1 109 109 VAL CB C 13 34.89 . . 1 . . . . . . . . 4267 1 1286 . 1 1 109 109 VAL CG1 C 13 20.0 . . 1 . . . . . . . . 4267 1 1287 . 1 1 109 109 VAL CG2 C 13 19.9 . . 1 . . . . . . . . 4267 1 1288 . 1 1 109 109 VAL N N 15 124.90 . . 1 . . . . . . . . 4267 1 1289 . 1 1 110 110 ARG H H 1 9.50 . . 1 . . . . . . . . 4267 1 1290 . 1 1 110 110 ARG HA H 1 4.92 . . 1 . . . . . . . . 4267 1 1291 . 1 1 110 110 ARG HB2 H 1 1.68 . . 1 . . . . . . . . 4267 1 1292 . 1 1 110 110 ARG HB3 H 1 1.58 . . 1 . . . . . . . . 4267 1 1293 . 1 1 110 110 ARG HG2 H 1 1.57 . . 1 . . . . . . . . 4267 1 1294 . 1 1 110 110 ARG HG3 H 1 1.57 . . 1 . . . . . . . . 4267 1 1295 . 1 1 110 110 ARG HD2 H 1 2.89 . . 1 . . . . . . . . 4267 1 1296 . 1 1 110 110 ARG HD3 H 1 2.89 . . 1 . . . . . . . . 4267 1 1297 . 1 1 110 110 ARG HE H 1 7.51 . . 1 . . . . . . . . 4267 1 1298 . 1 1 110 110 ARG C C 13 174.33 . . 1 . . . . . . . . 4267 1 1299 . 1 1 110 110 ARG CA C 13 54.97 . . 1 . . . . . . . . 4267 1 1300 . 1 1 110 110 ARG CB C 13 35.15 . . 1 . . . . . . . . 4267 1 1301 . 1 1 110 110 ARG CD C 13 42.0 . . 1 . . . . . . . . 4267 1 1302 . 1 1 110 110 ARG N N 15 126.05 . . 1 . . . . . . . . 4267 1 1303 . 1 1 110 110 ARG NE N 15 127.06 . . 1 . . . . . . . . 4267 1 1304 . 1 1 111 111 VAL H H 1 8.62 . . 1 . . . . . . . . 4267 1 1305 . 1 1 111 111 VAL HA H 1 3.67 . . 1 . . . . . . . . 4267 1 1306 . 1 1 111 111 VAL HB H 1 1.55 . . 1 . . . . . . . . 4267 1 1307 . 1 1 111 111 VAL HG11 H 1 0.54 . . 1 . . . . . . . . 4267 1 1308 . 1 1 111 111 VAL HG12 H 1 0.54 . . 1 . . . . . . . . 4267 1 1309 . 1 1 111 111 VAL HG13 H 1 0.54 . . 1 . . . . . . . . 4267 1 1310 . 1 1 111 111 VAL HG21 H 1 0.24 . . 1 . . . . . . . . 4267 1 1311 . 1 1 111 111 VAL HG22 H 1 0.24 . . 1 . . . . . . . . 4267 1 1312 . 1 1 111 111 VAL HG23 H 1 0.24 . . 1 . . . . . . . . 4267 1 1313 . 1 1 111 111 VAL C C 13 173.38 . . 1 . . . . . . . . 4267 1 1314 . 1 1 111 111 VAL CA C 13 64.20 . . 1 . . . . . . . . 4267 1 1315 . 1 1 111 111 VAL CB C 13 30.24 . . 1 . . . . . . . . 4267 1 1316 . 1 1 111 111 VAL CG1 C 13 20.2 . . 1 . . . . . . . . 4267 1 1317 . 1 1 111 111 VAL CG2 C 13 19.4 . . 1 . . . . . . . . 4267 1 1318 . 1 1 111 111 VAL N N 15 127.45 . . 1 . . . . . . . . 4267 1 1319 . 1 1 112 112 VAL H H 1 8.21 . . 1 . . . . . . . . 4267 1 1320 . 1 1 112 112 VAL HA H 1 4.15 . . 1 . . . . . . . . 4267 1 1321 . 1 1 112 112 VAL HB H 1 1.57 . . 1 . . . . . . . . 4267 1 1322 . 1 1 112 112 VAL HG11 H 1 0.44 . . 1 . . . . . . . . 4267 1 1323 . 1 1 112 112 VAL HG12 H 1 0.44 . . 1 . . . . . . . . 4267 1 1324 . 1 1 112 112 VAL HG13 H 1 0.44 . . 1 . . . . . . . . 4267 1 1325 . 1 1 112 112 VAL HG21 H 1 1.01 . . 1 . . . . . . . . 4267 1 1326 . 1 1 112 112 VAL HG22 H 1 1.01 . . 1 . . . . . . . . 4267 1 1327 . 1 1 112 112 VAL HG23 H 1 1.01 . . 1 . . . . . . . . 4267 1 1328 . 1 1 112 112 VAL C C 13 175.65 . . 1 . . . . . . . . 4267 1 1329 . 1 1 112 112 VAL CA C 13 63.23 . . 1 . . . . . . . . 4267 1 1330 . 1 1 112 112 VAL CB C 13 32.86 . . 1 . . . . . . . . 4267 1 1331 . 1 1 112 112 VAL CG1 C 13 20.5 . . 1 . . . . . . . . 4267 1 1332 . 1 1 112 112 VAL CG2 C 13 21.7 . . 1 . . . . . . . . 4267 1 1333 . 1 1 112 112 VAL N N 15 132.71 . . 1 . . . . . . . . 4267 1 1334 . 1 1 113 113 SER H H 1 7.18 . . 1 . . . . . . . . 4267 1 1335 . 1 1 113 113 SER HA H 1 5.10 . . 1 . . . . . . . . 4267 1 1336 . 1 1 113 113 SER HB2 H 1 3.76 . . 1 . . . . . . . . 4267 1 1337 . 1 1 113 113 SER HB3 H 1 3.45 . . 1 . . . . . . . . 4267 1 1338 . 1 1 113 113 SER C C 13 174.12 . . 1 . . . . . . . . 4267 1 1339 . 1 1 113 113 SER CA C 13 55.77 . . 1 . . . . . . . . 4267 1 1340 . 1 1 113 113 SER CB C 13 64.52 . . 1 . . . . . . . . 4267 1 1341 . 1 1 113 113 SER N N 15 106.63 . . 1 . . . . . . . . 4267 1 1342 . 1 1 114 114 THR H H 1 8.47 . . 1 . . . . . . . . 4267 1 1343 . 1 1 114 114 THR HA H 1 4.73 . . 1 . . . . . . . . 4267 1 1344 . 1 1 114 114 THR HB H 1 4.37 . . 1 . . . . . . . . 4267 1 1345 . 1 1 114 114 THR HG21 H 1 0.44 . . 1 . . . . . . . . 4267 1 1346 . 1 1 114 114 THR HG22 H 1 0.44 . . 1 . . . . . . . . 4267 1 1347 . 1 1 114 114 THR HG23 H 1 0.44 . . 1 . . . . . . . . 4267 1 1348 . 1 1 114 114 THR C C 13 170.09 . . 1 . . . . . . . . 4267 1 1349 . 1 1 114 114 THR CA C 13 60.53 . . 1 . . . . . . . . 4267 1 1350 . 1 1 114 114 THR CB C 13 68.95 . . 1 . . . . . . . . 4267 1 1351 . 1 1 114 114 THR CG2 C 13 17.3 . . 1 . . . . . . . . 4267 1 1352 . 1 1 114 114 THR N N 15 118.29 . . 1 . . . . . . . . 4267 1 1353 . 1 1 115 115 ASN H H 1 7.07 . . 1 . . . . . . . . 4267 1 1354 . 1 1 115 115 ASN HA H 1 4.82 . . 1 . . . . . . . . 4267 1 1355 . 1 1 115 115 ASN HB2 H 1 2.78 . . 2 . . . . . . . . 4267 1 1356 . 1 1 115 115 ASN HB3 H 1 3.52 . . 2 . . . . . . . . 4267 1 1357 . 1 1 115 115 ASN HD21 H 1 7.81 . . 1 . . . . . . . . 4267 1 1358 . 1 1 115 115 ASN HD22 H 1 6.97 . . 1 . . . . . . . . 4267 1 1359 . 1 1 115 115 ASN C C 13 178.31 . . 1 . . . . . . . . 4267 1 1360 . 1 1 115 115 ASN CA C 13 51.34 . . 1 . . . . . . . . 4267 1 1361 . 1 1 115 115 ASN CB C 13 38.57 . . 1 . . . . . . . . 4267 1 1362 . 1 1 115 115 ASN N N 15 121.46 . . 1 . . . . . . . . 4267 1 1363 . 1 1 115 115 ASN ND2 N 15 110.24 . . 1 . . . . . . . . 4267 1 1364 . 1 1 116 116 TYR H H 1 9.11 . . 1 . . . . . . . . 4267 1 1365 . 1 1 116 116 TYR HA H 1 3.94 . . 1 . . . . . . . . 4267 1 1366 . 1 1 116 116 TYR HB2 H 1 3.65 . . 2 . . . . . . . . 4267 1 1367 . 1 1 116 116 TYR HB3 H 1 3.07 . . 2 . . . . . . . . 4267 1 1368 . 1 1 116 116 TYR HD1 H 1 6.40 . . 1 . . . . . . . . 4267 1 1369 . 1 1 116 116 TYR HD2 H 1 6.40 . . 1 . . . . . . . . 4267 1 1370 . 1 1 116 116 TYR HE1 H 1 6.71 . . 1 . . . . . . . . 4267 1 1371 . 1 1 116 116 TYR HE2 H 1 6.71 . . 1 . . . . . . . . 4267 1 1372 . 1 1 116 116 TYR C C 13 176.39 . . 1 . . . . . . . . 4267 1 1373 . 1 1 116 116 TYR CA C 13 65.80 . . 1 . . . . . . . . 4267 1 1374 . 1 1 116 116 TYR CB C 13 36.43 . . 1 . . . . . . . . 4267 1 1375 . 1 1 116 116 TYR CD1 C 13 122.1 . . 1 . . . . . . . . 4267 1 1376 . 1 1 116 116 TYR CD2 C 13 122.1 . . 1 . . . . . . . . 4267 1 1377 . 1 1 116 116 TYR N N 15 115.47 . . 1 . . . . . . . . 4267 1 1378 . 1 1 117 117 ASN H H 1 9.47 . . 1 . . . . . . . . 4267 1 1379 . 1 1 117 117 ASN HA H 1 4.78 . . 1 . . . . . . . . 4267 1 1380 . 1 1 117 117 ASN HB2 H 1 3.05 . . 1 . . . . . . . . 4267 1 1381 . 1 1 117 117 ASN HB3 H 1 2.88 . . 1 . . . . . . . . 4267 1 1382 . 1 1 117 117 ASN HD21 H 1 7.64 . . 1 . . . . . . . . 4267 1 1383 . 1 1 117 117 ASN HD22 H 1 6.74 . . 1 . . . . . . . . 4267 1 1384 . 1 1 117 117 ASN C C 13 175.90 . . 1 . . . . . . . . 4267 1 1385 . 1 1 117 117 ASN CA C 13 52.57 . . 1 . . . . . . . . 4267 1 1386 . 1 1 117 117 ASN CB C 13 38.81 . . 1 . . . . . . . . 4267 1 1387 . 1 1 117 117 ASN CG C 13 176.65 . . 1 . . . . . . . . 4267 1 1388 . 1 1 117 117 ASN N N 15 118.30 . . 1 . . . . . . . . 4267 1 1389 . 1 1 117 117 ASN ND2 N 15 110.64 . . 1 . . . . . . . . 4267 1 1390 . 1 1 118 118 GLN H H 1 7.76 . . 1 . . . . . . . . 4267 1 1391 . 1 1 118 118 GLN HA H 1 4.73 . . 1 . . . . . . . . 4267 1 1392 . 1 1 118 118 GLN HB2 H 1 2.57 . . 1 . . . . . . . . 4267 1 1393 . 1 1 118 118 GLN HB3 H 1 2.25 . . 1 . . . . . . . . 4267 1 1394 . 1 1 118 118 GLN HG2 H 1 2.65 . . 1 . . . . . . . . 4267 1 1395 . 1 1 118 118 GLN HG3 H 1 2.65 . . 1 . . . . . . . . 4267 1 1396 . 1 1 118 118 GLN HE21 H 1 7.85 . . 1 . . . . . . . . 4267 1 1397 . 1 1 118 118 GLN HE22 H 1 7.06 . . 1 . . . . . . . . 4267 1 1398 . 1 1 118 118 GLN C C 13 174.52 . . 1 . . . . . . . . 4267 1 1399 . 1 1 118 118 GLN CA C 13 58.69 . . 1 . . . . . . . . 4267 1 1400 . 1 1 118 118 GLN CB C 13 32.24 . . 1 . . . . . . . . 4267 1 1401 . 1 1 118 118 GLN CG C 13 33.3 . . 1 . . . . . . . . 4267 1 1402 . 1 1 118 118 GLN CD C 13 180.58 . . 1 . . . . . . . . 4267 1 1403 . 1 1 118 118 GLN N N 15 117.74 . . 1 . . . . . . . . 4267 1 1404 . 1 1 118 118 GLN NE2 N 15 112.37 . . 1 . . . . . . . . 4267 1 1405 . 1 1 119 119 HIS H H 1 8.76 . . 1 . . . . . . . . 4267 1 1406 . 1 1 119 119 HIS HA H 1 6.40 . . 1 . . . . . . . . 4267 1 1407 . 1 1 119 119 HIS HB2 H 1 3.26 . . 1 . . . . . . . . 4267 1 1408 . 1 1 119 119 HIS HB3 H 1 3.07 . . 1 . . . . . . . . 4267 1 1409 . 1 1 119 119 HIS C C 13 175.06 . . 1 . . . . . . . . 4267 1 1410 . 1 1 119 119 HIS CA C 13 55.05 . . 1 . . . . . . . . 4267 1 1411 . 1 1 119 119 HIS CB C 13 36.91 . . 1 . . . . . . . . 4267 1 1412 . 1 1 119 119 HIS N N 15 116.41 . . 1 . . . . . . . . 4267 1 1413 . 1 1 120 120 ALA H H 1 8.94 . . 1 . . . . . . . . 4267 1 1414 . 1 1 120 120 ALA HA H 1 5.09 . . 1 . . . . . . . . 4267 1 1415 . 1 1 120 120 ALA HB1 H 1 0.92 . . 1 . . . . . . . . 4267 1 1416 . 1 1 120 120 ALA HB2 H 1 0.92 . . 1 . . . . . . . . 4267 1 1417 . 1 1 120 120 ALA HB3 H 1 0.92 . . 1 . . . . . . . . 4267 1 1418 . 1 1 120 120 ALA C C 13 174.86 . . 1 . . . . . . . . 4267 1 1419 . 1 1 120 120 ALA CA C 13 51.32 . . 1 . . . . . . . . 4267 1 1420 . 1 1 120 120 ALA CB C 13 22.86 . . 1 . . . . . . . . 4267 1 1421 . 1 1 120 120 ALA N N 15 121.53 . . 1 . . . . . . . . 4267 1 1422 . 1 1 121 121 MET H H 1 9.17 . . 1 . . . . . . . . 4267 1 1423 . 1 1 121 121 MET HA H 1 5.71 . . 1 . . . . . . . . 4267 1 1424 . 1 1 121 121 MET HB2 H 1 1.99 . . 1 . . . . . . . . 4267 1 1425 . 1 1 121 121 MET HB3 H 1 1.81 . . 1 . . . . . . . . 4267 1 1426 . 1 1 121 121 MET HG2 H 1 2.67 . . 2 . . . . . . . . 4267 1 1427 . 1 1 121 121 MET HG3 H 1 2.36 . . 2 . . . . . . . . 4267 1 1428 . 1 1 121 121 MET HE1 H 1 1.70 . . 1 . . . . . . . . 4267 1 1429 . 1 1 121 121 MET HE2 H 1 1.70 . . 1 . . . . . . . . 4267 1 1430 . 1 1 121 121 MET HE3 H 1 1.70 . . 1 . . . . . . . . 4267 1 1431 . 1 1 121 121 MET C C 13 174.96 . . 1 . . . . . . . . 4267 1 1432 . 1 1 121 121 MET CA C 13 55.11 . . 1 . . . . . . . . 4267 1 1433 . 1 1 121 121 MET CB C 13 36.43 . . 1 . . . . . . . . 4267 1 1434 . 1 1 121 121 MET CG C 13 32.2 . . 1 . . . . . . . . 4267 1 1435 . 1 1 121 121 MET CE C 13 15.9 . . 1 . . . . . . . . 4267 1 1436 . 1 1 121 121 MET N N 15 120.03 . . 1 . . . . . . . . 4267 1 1437 . 1 1 122 122 VAL H H 1 8.60 . . 1 . . . . . . . . 4267 1 1438 . 1 1 122 122 VAL HA H 1 4.41 . . 1 . . . . . . . . 4267 1 1439 . 1 1 122 122 VAL HB H 1 1.80 . . 1 . . . . . . . . 4267 1 1440 . 1 1 122 122 VAL HG11 H 1 0.26 . . 1 . . . . . . . . 4267 1 1441 . 1 1 122 122 VAL HG12 H 1 0.26 . . 1 . . . . . . . . 4267 1 1442 . 1 1 122 122 VAL HG13 H 1 0.26 . . 1 . . . . . . . . 4267 1 1443 . 1 1 122 122 VAL HG21 H 1 0.63 . . 1 . . . . . . . . 4267 1 1444 . 1 1 122 122 VAL HG22 H 1 0.63 . . 1 . . . . . . . . 4267 1 1445 . 1 1 122 122 VAL HG23 H 1 0.63 . . 1 . . . . . . . . 4267 1 1446 . 1 1 122 122 VAL C C 13 171.71 . . 1 . . . . . . . . 4267 1 1447 . 1 1 122 122 VAL CA C 13 61.56 . . 1 . . . . . . . . 4267 1 1448 . 1 1 122 122 VAL CB C 13 34.29 . . 1 . . . . . . . . 4267 1 1449 . 1 1 122 122 VAL CG1 C 13 23.4 . . 1 . . . . . . . . 4267 1 1450 . 1 1 122 122 VAL CG2 C 13 22.6 . . 1 . . . . . . . . 4267 1 1451 . 1 1 122 122 VAL N N 15 124.41 . . 1 . . . . . . . . 4267 1 1452 . 1 1 123 123 PHE H H 1 9.09 . . 1 . . . . . . . . 4267 1 1453 . 1 1 123 123 PHE HA H 1 5.43 . . 1 . . . . . . . . 4267 1 1454 . 1 1 123 123 PHE HB2 H 1 2.82 . . 1 . . . . . . . . 4267 1 1455 . 1 1 123 123 PHE HB3 H 1 3.02 . . 1 . . . . . . . . 4267 1 1456 . 1 1 123 123 PHE HD1 H 1 7.01 . . 1 . . . . . . . . 4267 1 1457 . 1 1 123 123 PHE HD2 H 1 7.01 . . 1 . . . . . . . . 4267 1 1458 . 1 1 123 123 PHE HE1 H 1 6.14 . . 1 . . . . . . . . 4267 1 1459 . 1 1 123 123 PHE HE2 H 1 6.14 . . 1 . . . . . . . . 4267 1 1460 . 1 1 123 123 PHE C C 13 171.96 . . 1 . . . . . . . . 4267 1 1461 . 1 1 123 123 PHE CA C 13 56.30 . . 1 . . . . . . . . 4267 1 1462 . 1 1 123 123 PHE CB C 13 43.17 . . 1 . . . . . . . . 4267 1 1463 . 1 1 123 123 PHE CD1 C 13 131.5 . . 1 . . . . . . . . 4267 1 1464 . 1 1 123 123 PHE CD2 C 13 131.5 . . 1 . . . . . . . . 4267 1 1465 . 1 1 123 123 PHE CE1 C 13 130.1 . . 1 . . . . . . . . 4267 1 1466 . 1 1 123 123 PHE CE2 C 13 130.1 . . 1 . . . . . . . . 4267 1 1467 . 1 1 123 123 PHE N N 15 127.85 . . 1 . . . . . . . . 4267 1 1468 . 1 1 124 124 PHE H H 1 9.00 . . 1 . . . . . . . . 4267 1 1469 . 1 1 124 124 PHE HA H 1 5.24 . . 1 . . . . . . . . 4267 1 1470 . 1 1 124 124 PHE HB2 H 1 2.74 . . 1 . . . . . . . . 4267 1 1471 . 1 1 124 124 PHE HB3 H 1 2.57 . . 1 . . . . . . . . 4267 1 1472 . 1 1 124 124 PHE HD1 H 1 7.16 . . 1 . . . . . . . . 4267 1 1473 . 1 1 124 124 PHE HD2 H 1 7.16 . . 1 . . . . . . . . 4267 1 1474 . 1 1 124 124 PHE HE1 H 1 7.10 . . 1 . . . . . . . . 4267 1 1475 . 1 1 124 124 PHE HE2 H 1 7.10 . . 1 . . . . . . . . 4267 1 1476 . 1 1 124 124 PHE C C 13 174.71 . . 1 . . . . . . . . 4267 1 1477 . 1 1 124 124 PHE CA C 13 55.23 . . 1 . . . . . . . . 4267 1 1478 . 1 1 124 124 PHE CB C 13 42.14 . . 1 . . . . . . . . 4267 1 1479 . 1 1 124 124 PHE CD1 C 13 132.7 . . 1 . . . . . . . . 4267 1 1480 . 1 1 124 124 PHE CD2 C 13 132.7 . . 1 . . . . . . . . 4267 1 1481 . 1 1 124 124 PHE N N 15 124.94 . . 1 . . . . . . . . 4267 1 1482 . 1 1 125 125 LYS H H 1 8.98 . . 1 . . . . . . . . 4267 1 1483 . 1 1 125 125 LYS HA H 1 5.10 . . 1 . . . . . . . . 4267 1 1484 . 1 1 125 125 LYS HB2 H 1 1.68 . . 1 . . . . . . . . 4267 1 1485 . 1 1 125 125 LYS HB3 H 1 1.68 . . 1 . . . . . . . . 4267 1 1486 . 1 1 125 125 LYS HG2 H 1 1.59 . . 1 . . . . . . . . 4267 1 1487 . 1 1 125 125 LYS HG3 H 1 1.59 . . 1 . . . . . . . . 4267 1 1488 . 1 1 125 125 LYS HD2 H 1 1.41 . . 1 . . . . . . . . 4267 1 1489 . 1 1 125 125 LYS HD3 H 1 1.41 . . 1 . . . . . . . . 4267 1 1490 . 1 1 125 125 LYS HE2 H 1 2.67 . . 1 . . . . . . . . 4267 1 1491 . 1 1 125 125 LYS HE3 H 1 2.67 . . 1 . . . . . . . . 4267 1 1492 . 1 1 125 125 LYS C C 13 173.88 . . 1 . . . . . . . . 4267 1 1493 . 1 1 125 125 LYS CA C 13 54.86 . . 1 . . . . . . . . 4267 1 1494 . 1 1 125 125 LYS CB C 13 36.19 . . 1 . . . . . . . . 4267 1 1495 . 1 1 125 125 LYS N N 15 120.91 . . 1 . . . . . . . . 4267 1 1496 . 1 1 126 126 LYS H H 1 9.38 . . 1 . . . . . . . . 4267 1 1497 . 1 1 126 126 LYS HA H 1 5.14 . . 1 . . . . . . . . 4267 1 1498 . 1 1 126 126 LYS HB2 H 1 1.99 . . 2 . . . . . . . . 4267 1 1499 . 1 1 126 126 LYS HB3 H 1 1.71 . . 2 . . . . . . . . 4267 1 1500 . 1 1 126 126 LYS HG2 H 1 1.47 . . 1 . . . . . . . . 4267 1 1501 . 1 1 126 126 LYS HG3 H 1 1.47 . . 1 . . . . . . . . 4267 1 1502 . 1 1 126 126 LYS C C 13 173.48 . . 1 . . . . . . . . 4267 1 1503 . 1 1 126 126 LYS CA C 13 54.09 . . 1 . . . . . . . . 4267 1 1504 . 1 1 126 126 LYS CB C 13 36.67 . . 1 . . . . . . . . 4267 1 1505 . 1 1 126 126 LYS N N 15 127.67 . . 1 . . . . . . . . 4267 1 1506 . 1 1 127 127 VAL H H 1 8.31 . . 1 . . . . . . . . 4267 1 1507 . 1 1 127 127 VAL HA H 1 5.15 . . 1 . . . . . . . . 4267 1 1508 . 1 1 127 127 VAL HB H 1 2.08 . . 1 . . . . . . . . 4267 1 1509 . 1 1 127 127 VAL HG11 H 1 0.90 . . 1 . . . . . . . . 4267 1 1510 . 1 1 127 127 VAL HG12 H 1 0.90 . . 1 . . . . . . . . 4267 1 1511 . 1 1 127 127 VAL HG13 H 1 0.90 . . 1 . . . . . . . . 4267 1 1512 . 1 1 127 127 VAL HG21 H 1 0.85 . . 1 . . . . . . . . 4267 1 1513 . 1 1 127 127 VAL HG22 H 1 0.85 . . 1 . . . . . . . . 4267 1 1514 . 1 1 127 127 VAL HG23 H 1 0.85 . . 1 . . . . . . . . 4267 1 1515 . 1 1 127 127 VAL C C 13 175.45 . . 1 . . . . . . . . 4267 1 1516 . 1 1 127 127 VAL CA C 13 61.39 . . 1 . . . . . . . . 4267 1 1517 . 1 1 127 127 VAL CB C 13 32.38 . . 1 . . . . . . . . 4267 1 1518 . 1 1 127 127 VAL CG1 C 13 21.1 . . 1 . . . . . . . . 4267 1 1519 . 1 1 127 127 VAL CG2 C 13 20.8 . . 1 . . . . . . . . 4267 1 1520 . 1 1 127 127 VAL N N 15 124.39 . . 1 . . . . . . . . 4267 1 1521 . 1 1 128 128 SER H H 1 8.93 . . 1 . . . . . . . . 4267 1 1522 . 1 1 128 128 SER HA H 1 5.38 . . 1 . . . . . . . . 4267 1 1523 . 1 1 128 128 SER HB2 H 1 3.86 . . 2 . . . . . . . . 4267 1 1524 . 1 1 128 128 SER HB3 H 1 3.75 . . 2 . . . . . . . . 4267 1 1525 . 1 1 128 128 SER C C 13 175.26 . . 1 . . . . . . . . 4267 1 1526 . 1 1 128 128 SER CA C 13 55.82 . . 1 . . . . . . . . 4267 1 1527 . 1 1 128 128 SER CB C 13 64.76 . . 1 . . . . . . . . 4267 1 1528 . 1 1 128 128 SER N N 15 120.31 . . 1 . . . . . . . . 4267 1 1529 . 1 1 129 129 GLN H H 1 9.36 . . 1 . . . . . . . . 4267 1 1530 . 1 1 129 129 GLN HA H 1 4.04 . . 1 . . . . . . . . 4267 1 1531 . 1 1 129 129 GLN HB2 H 1 2.28 . . 1 . . . . . . . . 4267 1 1532 . 1 1 129 129 GLN HB3 H 1 2.28 . . 1 . . . . . . . . 4267 1 1533 . 1 1 129 129 GLN HG2 H 1 2.41 . . 1 . . . . . . . . 4267 1 1534 . 1 1 129 129 GLN HG3 H 1 2.41 . . 1 . . . . . . . . 4267 1 1535 . 1 1 129 129 GLN HE21 H 1 7.96 . . 1 . . . . . . . . 4267 1 1536 . 1 1 129 129 GLN HE22 H 1 6.69 . . 1 . . . . . . . . 4267 1 1537 . 1 1 129 129 GLN C C 13 175.30 . . 1 . . . . . . . . 4267 1 1538 . 1 1 129 129 GLN CA C 13 57.11 . . 1 . . . . . . . . 4267 1 1539 . 1 1 129 129 GLN CB C 13 26.19 . . 1 . . . . . . . . 4267 1 1540 . 1 1 129 129 GLN CG C 13 33.9 . . 1 . . . . . . . . 4267 1 1541 . 1 1 129 129 GLN CD C 13 178.61 . . 1 . . . . . . . . 4267 1 1542 . 1 1 129 129 GLN N N 15 126.12 . . 1 . . . . . . . . 4267 1 1543 . 1 1 129 129 GLN NE2 N 15 112.30 . . 1 . . . . . . . . 4267 1 1544 . 1 1 130 130 ASN H H 1 8.85 . . 1 . . . . . . . . 4267 1 1545 . 1 1 130 130 ASN HA H 1 4.13 . . 1 . . . . . . . . 4267 1 1546 . 1 1 130 130 ASN HB2 H 1 3.09 . . 1 . . . . . . . . 4267 1 1547 . 1 1 130 130 ASN HB3 H 1 2.97 . . 1 . . . . . . . . 4267 1 1548 . 1 1 130 130 ASN HD21 H 1 7.56 . . 1 . . . . . . . . 4267 1 1549 . 1 1 130 130 ASN HD22 H 1 6.90 . . 1 . . . . . . . . 4267 1 1550 . 1 1 130 130 ASN C C 13 173.93 . . 1 . . . . . . . . 4267 1 1551 . 1 1 130 130 ASN CA C 13 54.62 . . 1 . . . . . . . . 4267 1 1552 . 1 1 130 130 ASN CB C 13 37.86 . . 1 . . . . . . . . 4267 1 1553 . 1 1 130 130 ASN CG C 13 178.61 . . 1 . . . . . . . . 4267 1 1554 . 1 1 130 130 ASN N N 15 109.42 . . 1 . . . . . . . . 4267 1 1555 . 1 1 130 130 ASN ND2 N 15 113.07 . . 1 . . . . . . . . 4267 1 1556 . 1 1 131 131 ARG H H 1 7.92 . . 1 . . . . . . . . 4267 1 1557 . 1 1 131 131 ARG HA H 1 4.55 . . 1 . . . . . . . . 4267 1 1558 . 1 1 131 131 ARG HB2 H 1 1.86 . . 2 . . . . . . . . 4267 1 1559 . 1 1 131 131 ARG HB3 H 1 1.32 . . 2 . . . . . . . . 4267 1 1560 . 1 1 131 131 ARG HG2 H 1 1.89 . . 2 . . . . . . . . 4267 1 1561 . 1 1 131 131 ARG HG3 H 1 1.54 . . 2 . . . . . . . . 4267 1 1562 . 1 1 131 131 ARG HD2 H 1 3.19 . . 1 . . . . . . . . 4267 1 1563 . 1 1 131 131 ARG HD3 H 1 3.19 . . 1 . . . . . . . . 4267 1 1564 . 1 1 131 131 ARG C C 13 173.58 . . 1 . . . . . . . . 4267 1 1565 . 1 1 131 131 ARG CA C 13 54.77 . . 1 . . . . . . . . 4267 1 1566 . 1 1 131 131 ARG CB C 13 32.62 . . 1 . . . . . . . . 4267 1 1567 . 1 1 131 131 ARG N N 15 119.93 . . 1 . . . . . . . . 4267 1 1568 . 1 1 132 132 GLU H H 1 8.19 . . 1 . . . . . . . . 4267 1 1569 . 1 1 132 132 GLU HA H 1 4.92 . . 1 . . . . . . . . 4267 1 1570 . 1 1 132 132 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 4267 1 1571 . 1 1 132 132 GLU HB3 H 1 1.82 . . 2 . . . . . . . . 4267 1 1572 . 1 1 132 132 GLU HG2 H 1 2.02 . . 1 . . . . . . . . 4267 1 1573 . 1 1 132 132 GLU HG3 H 1 2.02 . . 1 . . . . . . . . 4267 1 1574 . 1 1 132 132 GLU C C 13 174.96 . . 1 . . . . . . . . 4267 1 1575 . 1 1 132 132 GLU CA C 13 54.91 . . 1 . . . . . . . . 4267 1 1576 . 1 1 132 132 GLU CB C 13 31.23 . . 1 . . . . . . . . 4267 1 1577 . 1 1 132 132 GLU N N 15 120.11 . . 1 . . . . . . . . 4267 1 1578 . 1 1 133 133 TYR H H 1 9.35 . . 1 . . . . . . . . 4267 1 1579 . 1 1 133 133 TYR HA H 1 5.29 . . 1 . . . . . . . . 4267 1 1580 . 1 1 133 133 TYR HB2 H 1 3.10 . . 1 . . . . . . . . 4267 1 1581 . 1 1 133 133 TYR HB3 H 1 2.78 . . 1 . . . . . . . . 4267 1 1582 . 1 1 133 133 TYR HD1 H 1 7.02 . . 1 . . . . . . . . 4267 1 1583 . 1 1 133 133 TYR HD2 H 1 7.02 . . 1 . . . . . . . . 4267 1 1584 . 1 1 133 133 TYR HE1 H 1 6.77 . . 1 . . . . . . . . 4267 1 1585 . 1 1 133 133 TYR HE2 H 1 6.77 . . 1 . . . . . . . . 4267 1 1586 . 1 1 133 133 TYR C C 13 175.30 . . 1 . . . . . . . . 4267 1 1587 . 1 1 133 133 TYR CA C 13 56.53 . . 1 . . . . . . . . 4267 1 1588 . 1 1 133 133 TYR CB C 13 40.95 . . 1 . . . . . . . . 4267 1 1589 . 1 1 133 133 TYR CD1 C 13 128.2 . . 1 . . . . . . . . 4267 1 1590 . 1 1 133 133 TYR CD2 C 13 128.2 . . 1 . . . . . . . . 4267 1 1591 . 1 1 133 133 TYR N N 15 124.41 . . 1 . . . . . . . . 4267 1 1592 . 1 1 134 134 PHE H H 1 8.90 . . 1 . . . . . . . . 4267 1 1593 . 1 1 134 134 PHE HA H 1 5.80 . . 1 . . . . . . . . 4267 1 1594 . 1 1 134 134 PHE HB2 H 1 3.07 . . 1 . . . . . . . . 4267 1 1595 . 1 1 134 134 PHE HB3 H 1 2.78 . . 1 . . . . . . . . 4267 1 1596 . 1 1 134 134 PHE HD1 H 1 7.42 . . 1 . . . . . . . . 4267 1 1597 . 1 1 134 134 PHE HD2 H 1 7.42 . . 1 . . . . . . . . 4267 1 1598 . 1 1 134 134 PHE HE1 H 1 7.01 . . 1 . . . . . . . . 4267 1 1599 . 1 1 134 134 PHE HE2 H 1 7.01 . . 1 . . . . . . . . 4267 1 1600 . 1 1 134 134 PHE C C 13 173.09 . . 1 . . . . . . . . 4267 1 1601 . 1 1 134 134 PHE CA C 13 55.61 . . 1 . . . . . . . . 4267 1 1602 . 1 1 134 134 PHE CB C 13 42.25 . . 1 . . . . . . . . 4267 1 1603 . 1 1 134 134 PHE CD1 C 13 131.7 . . 1 . . . . . . . . 4267 1 1604 . 1 1 134 134 PHE CD2 C 13 131.7 . . 1 . . . . . . . . 4267 1 1605 . 1 1 134 134 PHE CE1 C 13 132.9 . . 1 . . . . . . . . 4267 1 1606 . 1 1 134 134 PHE CE2 C 13 132.9 . . 1 . . . . . . . . 4267 1 1607 . 1 1 134 134 PHE N N 15 117.71 . . 1 . . . . . . . . 4267 1 1608 . 1 1 135 135 LYS H H 1 9.27 . . 1 . . . . . . . . 4267 1 1609 . 1 1 135 135 LYS HA H 1 5.43 . . 1 . . . . . . . . 4267 1 1610 . 1 1 135 135 LYS HB2 H 1 1.73 . . 2 . . . . . . . . 4267 1 1611 . 1 1 135 135 LYS HB3 H 1 1.67 . . 2 . . . . . . . . 4267 1 1612 . 1 1 135 135 LYS HG2 H 1 1.42 . . 2 . . . . . . . . 4267 1 1613 . 1 1 135 135 LYS HG3 H 1 1.30 . . 2 . . . . . . . . 4267 1 1614 . 1 1 135 135 LYS HD2 H 1 2.23 . . 2 . . . . . . . . 4267 1 1615 . 1 1 135 135 LYS HD3 H 1 2.05 . . 2 . . . . . . . . 4267 1 1616 . 1 1 135 135 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 4267 1 1617 . 1 1 135 135 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 4267 1 1618 . 1 1 135 135 LYS C C 13 173.14 . . 1 . . . . . . . . 4267 1 1619 . 1 1 135 135 LYS CA C 13 54.20 . . 1 . . . . . . . . 4267 1 1620 . 1 1 135 135 LYS CB C 13 37.17 . . 1 . . . . . . . . 4267 1 1621 . 1 1 135 135 LYS CG C 13 25.5 . . 1 . . . . . . . . 4267 1 1622 . 1 1 135 135 LYS CD C 13 38.6 . . 1 . . . . . . . . 4267 1 1623 . 1 1 135 135 LYS CE C 13 41.9 . . 1 . . . . . . . . 4267 1 1624 . 1 1 135 135 LYS N N 15 122.84 . . 1 . . . . . . . . 4267 1 1625 . 1 1 136 136 ILE H H 1 9.88 . . 1 . . . . . . . . 4267 1 1626 . 1 1 136 136 ILE HA H 1 5.66 . . 1 . . . . . . . . 4267 1 1627 . 1 1 136 136 ILE HB H 1 2.07 . . 1 . . . . . . . . 4267 1 1628 . 1 1 136 136 ILE HG12 H 1 1.88 . . 2 . . . . . . . . 4267 1 1629 . 1 1 136 136 ILE HG13 H 1 1.46 . . 2 . . . . . . . . 4267 1 1630 . 1 1 136 136 ILE HG21 H 1 1.35 . . 1 . . . . . . . . 4267 1 1631 . 1 1 136 136 ILE HG22 H 1 1.35 . . 1 . . . . . . . . 4267 1 1632 . 1 1 136 136 ILE HG23 H 1 1.35 . . 1 . . . . . . . . 4267 1 1633 . 1 1 136 136 ILE HD11 H 1 1.12 . . 1 . . . . . . . . 4267 1 1634 . 1 1 136 136 ILE HD12 H 1 1.12 . . 1 . . . . . . . . 4267 1 1635 . 1 1 136 136 ILE HD13 H 1 1.12 . . 1 . . . . . . . . 4267 1 1636 . 1 1 136 136 ILE C C 13 175.85 . . 1 . . . . . . . . 4267 1 1637 . 1 1 136 136 ILE CA C 13 59.50 . . 1 . . . . . . . . 4267 1 1638 . 1 1 136 136 ILE CB C 13 41.33 . . 1 . . . . . . . . 4267 1 1639 . 1 1 136 136 ILE CG1 C 13 29.9 . . 1 . . . . . . . . 4267 1 1640 . 1 1 136 136 ILE CG2 C 13 21.1 . . 1 . . . . . . . . 4267 1 1641 . 1 1 136 136 ILE CD1 C 13 17.2 . . 1 . . . . . . . . 4267 1 1642 . 1 1 136 136 ILE N N 15 122.42 . . 1 . . . . . . . . 4267 1 1643 . 1 1 137 137 THR H H 1 9.61 . . 1 . . . . . . . . 4267 1 1644 . 1 1 137 137 THR HA H 1 5.01 . . 1 . . . . . . . . 4267 1 1645 . 1 1 137 137 THR HB H 1 3.82 . . 1 . . . . . . . . 4267 1 1646 . 1 1 137 137 THR HG21 H 1 1.06 . . 1 . . . . . . . . 4267 1 1647 . 1 1 137 137 THR HG22 H 1 1.06 . . 1 . . . . . . . . 4267 1 1648 . 1 1 137 137 THR HG23 H 1 1.06 . . 1 . . . . . . . . 4267 1 1649 . 1 1 137 137 THR C C 13 172.74 . . 1 . . . . . . . . 4267 1 1650 . 1 1 137 137 THR CA C 13 59.60 . . 1 . . . . . . . . 4267 1 1651 . 1 1 137 137 THR CB C 13 70.94 . . 1 . . . . . . . . 4267 1 1652 . 1 1 137 137 THR CG2 C 13 22.3 . . 1 . . . . . . . . 4267 1 1653 . 1 1 137 137 THR N N 15 117.47 . . 1 . . . . . . . . 4267 1 1654 . 1 1 138 138 LEU H H 1 8.50 . . 1 . . . . . . . . 4267 1 1655 . 1 1 138 138 LEU HA H 1 4.82 . . 1 . . . . . . . . 4267 1 1656 . 1 1 138 138 LEU HB2 H 1 0.93 . . 1 . . . . . . . . 4267 1 1657 . 1 1 138 138 LEU HB3 H 1 -0.03 . . 1 . . . . . . . . 4267 1 1658 . 1 1 138 138 LEU HG H 1 1.21 . . 1 . . . . . . . . 4267 1 1659 . 1 1 138 138 LEU HD21 H 1 0.59 . . 2 . . . . . . . . 4267 1 1660 . 1 1 138 138 LEU HD22 H 1 0.59 . . 2 . . . . . . . . 4267 1 1661 . 1 1 138 138 LEU HD23 H 1 0.59 . . 2 . . . . . . . . 4267 1 1662 . 1 1 138 138 LEU C C 13 174.71 . . 1 . . . . . . . . 4267 1 1663 . 1 1 138 138 LEU CA C 13 52.80 . . 1 . . . . . . . . 4267 1 1664 . 1 1 138 138 LEU CB C 13 40.95 . . 1 . . . . . . . . 4267 1 1665 . 1 1 138 138 LEU CG C 13 26.86 . . 1 . . . . . . . . 4267 1 1666 . 1 1 138 138 LEU CD2 C 13 25.90 . . 2 . . . . . . . . 4267 1 1667 . 1 1 138 138 LEU N N 15 126.78 . . 1 . . . . . . . . 4267 1 1668 . 1 1 139 139 TYR H H 1 9.61 . . 1 . . . . . . . . 4267 1 1669 . 1 1 139 139 TYR HA H 1 6.12 . . 1 . . . . . . . . 4267 1 1670 . 1 1 139 139 TYR HB2 H 1 3.29 . . 1 . . . . . . . . 4267 1 1671 . 1 1 139 139 TYR HB3 H 1 2.39 . . 1 . . . . . . . . 4267 1 1672 . 1 1 139 139 TYR HD1 H 1 6.29 . . 1 . . . . . . . . 4267 1 1673 . 1 1 139 139 TYR HD2 H 1 6.29 . . 1 . . . . . . . . 4267 1 1674 . 1 1 139 139 TYR HE1 H 1 6.13 . . 1 . . . . . . . . 4267 1 1675 . 1 1 139 139 TYR HE2 H 1 6.13 . . 1 . . . . . . . . 4267 1 1676 . 1 1 139 139 TYR C C 13 176.67 . . 1 . . . . . . . . 4267 1 1677 . 1 1 139 139 TYR CA C 13 52.31 . . 1 . . . . . . . . 4267 1 1678 . 1 1 139 139 TYR CB C 13 41.19 . . 1 . . . . . . . . 4267 1 1679 . 1 1 139 139 TYR CD1 C 13 131.9 . . 1 . . . . . . . . 4267 1 1680 . 1 1 139 139 TYR CD2 C 13 131.9 . . 1 . . . . . . . . 4267 1 1681 . 1 1 139 139 TYR CE1 C 13 129.8 . . 1 . . . . . . . . 4267 1 1682 . 1 1 139 139 TYR CE2 C 13 129.8 . . 1 . . . . . . . . 4267 1 1683 . 1 1 139 139 TYR N N 15 127.07 . . 1 . . . . . . . . 4267 1 1684 . 1 1 140 140 GLY H H 1 9.95 . . 1 . . . . . . . . 4267 1 1685 . 1 1 140 140 GLY HA2 H 1 6.13 . . 1 . . . . . . . . 4267 1 1686 . 1 1 140 140 GLY HA3 H 1 4.21 . . 1 . . . . . . . . 4267 1 1687 . 1 1 140 140 GLY C C 13 175.45 . . 1 . . . . . . . . 4267 1 1688 . 1 1 140 140 GLY CA C 13 44.02 . . 1 . . . . . . . . 4267 1 1689 . 1 1 140 140 GLY N N 15 105.61 . . 1 . . . . . . . . 4267 1 1690 . 1 1 141 141 ARG H H 1 8.92 . . 1 . . . . . . . . 4267 1 1691 . 1 1 141 141 ARG HA H 1 4.27 . . 1 . . . . . . . . 4267 1 1692 . 1 1 141 141 ARG HB2 H 1 2.00 . . 1 . . . . . . . . 4267 1 1693 . 1 1 141 141 ARG HB3 H 1 2.00 . . 1 . . . . . . . . 4267 1 1694 . 1 1 141 141 ARG HG2 H 1 1.55 . . 1 . . . . . . . . 4267 1 1695 . 1 1 141 141 ARG HG3 H 1 1.55 . . 1 . . . . . . . . 4267 1 1696 . 1 1 141 141 ARG HD2 H 1 2.91 . . 1 . . . . . . . . 4267 1 1697 . 1 1 141 141 ARG HD3 H 1 2.91 . . 1 . . . . . . . . 4267 1 1698 . 1 1 141 141 ARG HE H 1 5.31 . . 1 . . . . . . . . 4267 1 1699 . 1 1 141 141 ARG HH11 H 1 5.82 . . 1 . . . . . . . . 4267 1 1700 . 1 1 141 141 ARG HH12 H 1 5.82 . . 1 . . . . . . . . 4267 1 1701 . 1 1 141 141 ARG HH21 H 1 4.59 . . 1 . . . . . . . . 4267 1 1702 . 1 1 141 141 ARG HH22 H 1 4.59 . . 1 . . . . . . . . 4267 1 1703 . 1 1 141 141 ARG C C 13 177.08 . . 1 . . . . . . . . 4267 1 1704 . 1 1 141 141 ARG CA C 13 55.70 . . 1 . . . . . . . . 4267 1 1705 . 1 1 141 141 ARG CB C 13 30.32 . . 1 . . . . . . . . 4267 1 1706 . 1 1 141 141 ARG CG C 13 29.0 . . 1 . . . . . . . . 4267 1 1707 . 1 1 141 141 ARG CD C 13 42.0 . . 1 . . . . . . . . 4267 1 1708 . 1 1 141 141 ARG N N 15 120.91 . . 1 . . . . . . . . 4267 1 1709 . 1 1 141 141 ARG NE N 15 85.0 . . 1 . . . . . . . . 4267 1 1710 . 1 1 142 142 THR H H 1 7.98 . . 1 . . . . . . . . 4267 1 1711 . 1 1 142 142 THR HA H 1 4.59 . . 1 . . . . . . . . 4267 1 1712 . 1 1 142 142 THR HB H 1 4.61 . . 1 . . . . . . . . 4267 1 1713 . 1 1 142 142 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4267 1 1714 . 1 1 142 142 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4267 1 1715 . 1 1 142 142 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4267 1 1716 . 1 1 142 142 THR C C 13 172.40 . . 1 . . . . . . . . 4267 1 1717 . 1 1 142 142 THR CA C 13 59.01 . . 1 . . . . . . . . 4267 1 1718 . 1 1 142 142 THR CB C 13 70.71 . . 1 . . . . . . . . 4267 1 1719 . 1 1 142 142 THR CG2 C 13 21.5 . . 1 . . . . . . . . 4267 1 1720 . 1 1 142 142 THR N N 15 109.04 . . 1 . . . . . . . . 4267 1 1721 . 1 1 143 143 LYS H H 1 7.82 . . 1 . . . . . . . . 4267 1 1722 . 1 1 143 143 LYS HA H 1 3.53 . . 1 . . . . . . . . 4267 1 1723 . 1 1 143 143 LYS HB2 H 1 1.52 . . 1 . . . . . . . . 4267 1 1724 . 1 1 143 143 LYS HB3 H 1 1.40 . . 1 . . . . . . . . 4267 1 1725 . 1 1 143 143 LYS HG2 H 1 0.44 . . 1 . . . . . . . . 4267 1 1726 . 1 1 143 143 LYS HG3 H 1 0.44 . . 1 . . . . . . . . 4267 1 1727 . 1 1 143 143 LYS HD2 H 1 0.93 . . 1 . . . . . . . . 4267 1 1728 . 1 1 143 143 LYS HD3 H 1 0.93 . . 1 . . . . . . . . 4267 1 1729 . 1 1 143 143 LYS HE2 H 1 2.73 . . 2 . . . . . . . . 4267 1 1730 . 1 1 143 143 LYS HE3 H 1 2.69 . . 2 . . . . . . . . 4267 1 1731 . 1 1 143 143 LYS C C 13 175.06 . . 1 . . . . . . . . 4267 1 1732 . 1 1 143 143 LYS CA C 13 57.66 . . 1 . . . . . . . . 4267 1 1733 . 1 1 143 143 LYS CB C 13 32.62 . . 1 . . . . . . . . 4267 1 1734 . 1 1 143 143 LYS CG C 13 24.66 . . 1 . . . . . . . . 4267 1 1735 . 1 1 143 143 LYS CE C 13 41.92 . . 1 . . . . . . . . 4267 1 1736 . 1 1 143 143 LYS N N 15 114.28 . . 1 . . . . . . . . 4267 1 1737 . 1 1 144 144 GLU H H 1 7.36 . . 1 . . . . . . . . 4267 1 1738 . 1 1 144 144 GLU HA H 1 4.50 . . 1 . . . . . . . . 4267 1 1739 . 1 1 144 144 GLU HB2 H 1 1.93 . . 2 . . . . . . . . 4267 1 1740 . 1 1 144 144 GLU HB3 H 1 1.83 . . 2 . . . . . . . . 4267 1 1741 . 1 1 144 144 GLU HG2 H 1 2.11 . . 1 . . . . . . . . 4267 1 1742 . 1 1 144 144 GLU HG3 H 1 2.11 . . 1 . . . . . . . . 4267 1 1743 . 1 1 144 144 GLU C C 13 175.60 . . 1 . . . . . . . . 4267 1 1744 . 1 1 144 144 GLU CA C 13 54.78 . . 1 . . . . . . . . 4267 1 1745 . 1 1 144 144 GLU CB C 13 32.15 . . 1 . . . . . . . . 4267 1 1746 . 1 1 144 144 GLU CG C 13 36.0 . . 1 . . . . . . . . 4267 1 1747 . 1 1 144 144 GLU N N 15 113.97 . . 1 . . . . . . . . 4267 1 1748 . 1 1 145 145 LEU H H 1 8.47 . . 1 . . . . . . . . 4267 1 1749 . 1 1 145 145 LEU HA H 1 4.87 . . 1 . . . . . . . . 4267 1 1750 . 1 1 145 145 LEU HB2 H 1 1.47 . . 2 . . . . . . . . 4267 1 1751 . 1 1 145 145 LEU HB3 H 1 1.64 . . 2 . . . . . . . . 4267 1 1752 . 1 1 145 145 LEU HG H 1 1.18 . . 1 . . . . . . . . 4267 1 1753 . 1 1 145 145 LEU HD11 H 1 0.92 . . 2 . . . . . . . . 4267 1 1754 . 1 1 145 145 LEU HD12 H 1 0.92 . . 2 . . . . . . . . 4267 1 1755 . 1 1 145 145 LEU HD13 H 1 0.92 . . 2 . . . . . . . . 4267 1 1756 . 1 1 145 145 LEU HD21 H 1 0.97 . . 2 . . . . . . . . 4267 1 1757 . 1 1 145 145 LEU HD22 H 1 0.97 . . 2 . . . . . . . . 4267 1 1758 . 1 1 145 145 LEU HD23 H 1 0.97 . . 2 . . . . . . . . 4267 1 1759 . 1 1 145 145 LEU C C 13 175.75 . . 1 . . . . . . . . 4267 1 1760 . 1 1 145 145 LEU CA C 13 52.80 . . 1 . . . . . . . . 4267 1 1761 . 1 1 145 145 LEU CB C 13 45.95 . . 1 . . . . . . . . 4267 1 1762 . 1 1 145 145 LEU CG C 13 23.7 . . 1 . . . . . . . . 4267 1 1763 . 1 1 145 145 LEU CD1 C 13 23.9 . . 1 . . . . . . . . 4267 1 1764 . 1 1 145 145 LEU CD2 C 13 23.9 . . 1 . . . . . . . . 4267 1 1765 . 1 1 145 145 LEU N N 15 122.13 . . 1 . . . . . . . . 4267 1 1766 . 1 1 146 146 THR H H 1 7.08 . . 1 . . . . . . . . 4267 1 1767 . 1 1 146 146 THR HA H 1 4.41 . . 1 . . . . . . . . 4267 1 1768 . 1 1 146 146 THR HB H 1 4.73 . . 1 . . . . . . . . 4267 1 1769 . 1 1 146 146 THR HG21 H 1 1.36 . . 1 . . . . . . . . 4267 1 1770 . 1 1 146 146 THR HG22 H 1 1.36 . . 1 . . . . . . . . 4267 1 1771 . 1 1 146 146 THR HG23 H 1 1.36 . . 1 . . . . . . . . 4267 1 1772 . 1 1 146 146 THR C C 13 175.40 . . 1 . . . . . . . . 4267 1 1773 . 1 1 146 146 THR CA C 13 60.34 . . 1 . . . . . . . . 4267 1 1774 . 1 1 146 146 THR CB C 13 70.47 . . 1 . . . . . . . . 4267 1 1775 . 1 1 146 146 THR CG2 C 13 22.3 . . 1 . . . . . . . . 4267 1 1776 . 1 1 146 146 THR N N 15 109.98 . . 1 . . . . . . . . 4267 1 1777 . 1 1 147 147 SER H H 1 9.00 . . 1 . . . . . . . . 4267 1 1778 . 1 1 147 147 SER HA H 1 3.99 . . 1 . . . . . . . . 4267 1 1779 . 1 1 147 147 SER HB2 H 1 3.93 . . 1 . . . . . . . . 4267 1 1780 . 1 1 147 147 SER HB3 H 1 3.93 . . 1 . . . . . . . . 4267 1 1781 . 1 1 147 147 SER C C 13 176.59 . . 1 . . . . . . . . 4267 1 1782 . 1 1 147 147 SER CA C 13 61.60 . . 1 . . . . . . . . 4267 1 1783 . 1 1 147 147 SER CB C 13 62.2 . . 1 . . . . . . . . 4267 1 1784 . 1 1 147 147 SER N N 15 117.29 . . 1 . . . . . . . . 4267 1 1785 . 1 1 148 148 GLU H H 1 8.80 . . 1 . . . . . . . . 4267 1 1786 . 1 1 148 148 GLU HA H 1 4.04 . . 1 . . . . . . . . 4267 1 1787 . 1 1 148 148 GLU HB2 H 1 2.10 . . 2 . . . . . . . . 4267 1 1788 . 1 1 148 148 GLU HB3 H 1 1.91 . . 2 . . . . . . . . 4267 1 1789 . 1 1 148 148 GLU HG2 H 1 2.29 . . 1 . . . . . . . . 4267 1 1790 . 1 1 148 148 GLU HG3 H 1 2.29 . . 1 . . . . . . . . 4267 1 1791 . 1 1 148 148 GLU C C 13 178.84 . . 1 . . . . . . . . 4267 1 1792 . 1 1 148 148 GLU CA C 13 59.80 . . 1 . . . . . . . . 4267 1 1793 . 1 1 148 148 GLU CB C 13 29.05 . . 1 . . . . . . . . 4267 1 1794 . 1 1 148 148 GLU CG C 13 36.4 . . 1 . . . . . . . . 4267 1 1795 . 1 1 148 148 GLU N N 15 121.15 . . 1 . . . . . . . . 4267 1 1796 . 1 1 149 149 LEU H H 1 7.40 . . 1 . . . . . . . . 4267 1 1797 . 1 1 149 149 LEU HA H 1 4.04 . . 1 . . . . . . . . 4267 1 1798 . 1 1 149 149 LEU HB2 H 1 1.24 . . 1 . . . . . . . . 4267 1 1799 . 1 1 149 149 LEU HB3 H 1 1.84 . . 1 . . . . . . . . 4267 1 1800 . 1 1 149 149 LEU HG H 1 1.53 . . 1 . . . . . . . . 4267 1 1801 . 1 1 149 149 LEU HD11 H 1 0.38 . . 1 . . . . . . . . 4267 1 1802 . 1 1 149 149 LEU HD12 H 1 0.38 . . 1 . . . . . . . . 4267 1 1803 . 1 1 149 149 LEU HD13 H 1 0.38 . . 1 . . . . . . . . 4267 1 1804 . 1 1 149 149 LEU HD21 H 1 0.79 . . 1 . . . . . . . . 4267 1 1805 . 1 1 149 149 LEU HD22 H 1 0.79 . . 1 . . . . . . . . 4267 1 1806 . 1 1 149 149 LEU HD23 H 1 0.79 . . 1 . . . . . . . . 4267 1 1807 . 1 1 149 149 LEU C C 13 180.03 . . 1 . . . . . . . . 4267 1 1808 . 1 1 149 149 LEU CA C 13 57.11 . . 1 . . . . . . . . 4267 1 1809 . 1 1 149 149 LEU CB C 13 42.01 . . 1 . . . . . . . . 4267 1 1810 . 1 1 149 149 LEU CG C 13 27.2 . . 1 . . . . . . . . 4267 1 1811 . 1 1 149 149 LEU CD1 C 13 22.4 . . 1 . . . . . . . . 4267 1 1812 . 1 1 149 149 LEU CD2 C 13 25.6 . . 1 . . . . . . . . 4267 1 1813 . 1 1 149 149 LEU N N 15 120.29 . . 1 . . . . . . . . 4267 1 1814 . 1 1 150 150 LYS H H 1 7.84 . . 1 . . . . . . . . 4267 1 1815 . 1 1 150 150 LYS HA H 1 3.99 . . 1 . . . . . . . . 4267 1 1816 . 1 1 150 150 LYS HB2 H 1 1.80 . . 1 . . . . . . . . 4267 1 1817 . 1 1 150 150 LYS HB3 H 1 1.80 . . 1 . . . . . . . . 4267 1 1818 . 1 1 150 150 LYS HG2 H 1 1.03 . . 1 . . . . . . . . 4267 1 1819 . 1 1 150 150 LYS HG3 H 1 1.03 . . 1 . . . . . . . . 4267 1 1820 . 1 1 150 150 LYS HD2 H 1 1.44 . . 1 . . . . . . . . 4267 1 1821 . 1 1 150 150 LYS HD3 H 1 1.44 . . 1 . . . . . . . . 4267 1 1822 . 1 1 150 150 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 4267 1 1823 . 1 1 150 150 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 4267 1 1824 . 1 1 150 150 LYS C C 13 178.46 . . 1 . . . . . . . . 4267 1 1825 . 1 1 150 150 LYS CA C 13 61.02 . . 1 . . . . . . . . 4267 1 1826 . 1 1 150 150 LYS CB C 13 31.67 . . 1 . . . . . . . . 4267 1 1827 . 1 1 150 150 LYS N N 15 119.89 . . 1 . . . . . . . . 4267 1 1828 . 1 1 151 151 GLU H H 1 8.74 . . 1 . . . . . . . . 4267 1 1829 . 1 1 151 151 GLU HA H 1 4.13 . . 1 . . . . . . . . 4267 1 1830 . 1 1 151 151 GLU HB2 H 1 2.11 . . 1 . . . . . . . . 4267 1 1831 . 1 1 151 151 GLU HB3 H 1 2.11 . . 1 . . . . . . . . 4267 1 1832 . 1 1 151 151 GLU HG2 H 1 2.39 . . 1 . . . . . . . . 4267 1 1833 . 1 1 151 151 GLU HG3 H 1 2.39 . . 1 . . . . . . . . 4267 1 1834 . 1 1 151 151 GLU C C 13 179.64 . . 1 . . . . . . . . 4267 1 1835 . 1 1 151 151 GLU CA C 13 59.28 . . 1 . . . . . . . . 4267 1 1836 . 1 1 151 151 GLU CB C 13 28.81 . . 1 . . . . . . . . 4267 1 1837 . 1 1 151 151 GLU CG C 13 36.3 . . 1 . . . . . . . . 4267 1 1838 . 1 1 151 151 GLU N N 15 118.82 . . 1 . . . . . . . . 4267 1 1839 . 1 1 152 152 ASN H H 1 8.24 . . 1 . . . . . . . . 4267 1 1840 . 1 1 152 152 ASN HA H 1 4.50 . . 1 . . . . . . . . 4267 1 1841 . 1 1 152 152 ASN HB2 H 1 2.97 . . 2 . . . . . . . . 4267 1 1842 . 1 1 152 152 ASN HB3 H 1 2.87 . . 2 . . . . . . . . 4267 1 1843 . 1 1 152 152 ASN HD21 H 1 7.58 . . 1 . . . . . . . . 4267 1 1844 . 1 1 152 152 ASN HD22 H 1 7.03 . . 1 . . . . . . . . 4267 1 1845 . 1 1 152 152 ASN C C 13 177.72 . . 1 . . . . . . . . 4267 1 1846 . 1 1 152 152 ASN CA C 13 56.32 . . 1 . . . . . . . . 4267 1 1847 . 1 1 152 152 ASN CB C 13 38.10 . . 1 . . . . . . . . 4267 1 1848 . 1 1 152 152 ASN CG C 13 178.61 . . 1 . . . . . . . . 4267 1 1849 . 1 1 152 152 ASN N N 15 119.20 . . 1 . . . . . . . . 4267 1 1850 . 1 1 152 152 ASN ND2 N 15 112.56 . . 1 . . . . . . . . 4267 1 1851 . 1 1 153 153 PHE H H 1 8.10 . . 1 . . . . . . . . 4267 1 1852 . 1 1 153 153 PHE HA H 1 4.73 . . 1 . . . . . . . . 4267 1 1853 . 1 1 153 153 PHE HB2 H 1 3.57 . . 2 . . . . . . . . 4267 1 1854 . 1 1 153 153 PHE HB3 H 1 3.47 . . 2 . . . . . . . . 4267 1 1855 . 1 1 153 153 PHE HD1 H 1 7.36 . . 1 . . . . . . . . 4267 1 1856 . 1 1 153 153 PHE HD2 H 1 7.36 . . 1 . . . . . . . . 4267 1 1857 . 1 1 153 153 PHE HE1 H 1 6.83 . . 1 . . . . . . . . 4267 1 1858 . 1 1 153 153 PHE HE2 H 1 6.83 . . 1 . . . . . . . . 4267 1 1859 . 1 1 153 153 PHE C C 13 178.21 . . 1 . . . . . . . . 4267 1 1860 . 1 1 153 153 PHE CA C 13 60.64 . . 1 . . . . . . . . 4267 1 1861 . 1 1 153 153 PHE CB C 13 40.00 . . 1 . . . . . . . . 4267 1 1862 . 1 1 153 153 PHE CD1 C 13 130.0 . . 1 . . . . . . . . 4267 1 1863 . 1 1 153 153 PHE CD2 C 13 130.0 . . 1 . . . . . . . . 4267 1 1864 . 1 1 153 153 PHE N N 15 122.30 . . 1 . . . . . . . . 4267 1 1865 . 1 1 154 154 ILE H H 1 8.74 . . 1 . . . . . . . . 4267 1 1866 . 1 1 154 154 ILE HA H 1 3.39 . . 1 . . . . . . . . 4267 1 1867 . 1 1 154 154 ILE HB H 1 2.09 . . 1 . . . . . . . . 4267 1 1868 . 1 1 154 154 ILE HG12 H 1 2.31 . . 2 . . . . . . . . 4267 1 1869 . 1 1 154 154 ILE HG13 H 1 1.17 . . 2 . . . . . . . . 4267 1 1870 . 1 1 154 154 ILE HG21 H 1 0.97 . . 1 . . . . . . . . 4267 1 1871 . 1 1 154 154 ILE HG22 H 1 0.97 . . 1 . . . . . . . . 4267 1 1872 . 1 1 154 154 ILE HG23 H 1 0.97 . . 1 . . . . . . . . 4267 1 1873 . 1 1 154 154 ILE HD11 H 1 0.64 . . 1 . . . . . . . . 4267 1 1874 . 1 1 154 154 ILE HD12 H 1 0.64 . . 1 . . . . . . . . 4267 1 1875 . 1 1 154 154 ILE HD13 H 1 0.64 . . 1 . . . . . . . . 4267 1 1876 . 1 1 154 154 ILE C C 13 177.37 . . 1 . . . . . . . . 4267 1 1877 . 1 1 154 154 ILE CA C 13 66.41 . . 1 . . . . . . . . 4267 1 1878 . 1 1 154 154 ILE CB C 13 38.10 . . 1 . . . . . . . . 4267 1 1879 . 1 1 154 154 ILE CG1 C 13 29.7 . . 1 . . . . . . . . 4267 1 1880 . 1 1 154 154 ILE CG2 C 13 17.0 . . 1 . . . . . . . . 4267 1 1881 . 1 1 154 154 ILE CD1 C 13 17.6 . . 1 . . . . . . . . 4267 1 1882 . 1 1 154 154 ILE N N 15 124.99 . . 1 . . . . . . . . 4267 1 1883 . 1 1 155 155 ARG H H 1 8.47 . . 1 . . . . . . . . 4267 1 1884 . 1 1 155 155 ARG HA H 1 3.90 . . 1 . . . . . . . . 4267 1 1885 . 1 1 155 155 ARG HB2 H 1 2.05 . . 2 . . . . . . . . 4267 1 1886 . 1 1 155 155 ARG HB3 H 1 2.00 . . 2 . . . . . . . . 4267 1 1887 . 1 1 155 155 ARG HG2 H 1 1.92 . . 2 . . . . . . . . 4267 1 1888 . 1 1 155 155 ARG HG3 H 1 1.66 . . 2 . . . . . . . . 4267 1 1889 . 1 1 155 155 ARG HD2 H 1 3.34 . . 2 . . . . . . . . 4267 1 1890 . 1 1 155 155 ARG HD3 H 1 3.30 . . 2 . . . . . . . . 4267 1 1891 . 1 1 155 155 ARG HE H 1 7.51 . . 1 . . . . . . . . 4267 1 1892 . 1 1 155 155 ARG C C 13 179.88 . . 1 . . . . . . . . 4267 1 1893 . 1 1 155 155 ARG CA C 13 60.00 . . 1 . . . . . . . . 4267 1 1894 . 1 1 155 155 ARG CB C 13 30.00 . . 1 . . . . . . . . 4267 1 1895 . 1 1 155 155 ARG CG C 13 27.9 . . 1 . . . . . . . . 4267 1 1896 . 1 1 155 155 ARG CD C 13 43.5 . . 1 . . . . . . . . 4267 1 1897 . 1 1 155 155 ARG N N 15 119.02 . . 1 . . . . . . . . 4267 1 1898 . 1 1 155 155 ARG NE N 15 83.99 . . 1 . . . . . . . . 4267 1 1899 . 1 1 156 156 PHE H H 1 8.63 . . 1 . . . . . . . . 4267 1 1900 . 1 1 156 156 PHE HA H 1 4.41 . . 1 . . . . . . . . 4267 1 1901 . 1 1 156 156 PHE HB2 H 1 2.97 . . 1 . . . . . . . . 4267 1 1902 . 1 1 156 156 PHE HB3 H 1 3.45 . . 1 . . . . . . . . 4267 1 1903 . 1 1 156 156 PHE HD1 H 1 7.33 . . 1 . . . . . . . . 4267 1 1904 . 1 1 156 156 PHE HD2 H 1 7.33 . . 1 . . . . . . . . 4267 1 1905 . 1 1 156 156 PHE HE1 H 1 7.28 . . 1 . . . . . . . . 4267 1 1906 . 1 1 156 156 PHE HE2 H 1 7.28 . . 1 . . . . . . . . 4267 1 1907 . 1 1 156 156 PHE C C 13 178.85 . . 1 . . . . . . . . 4267 1 1908 . 1 1 156 156 PHE CA C 13 60.45 . . 1 . . . . . . . . 4267 1 1909 . 1 1 156 156 PHE CB C 13 39.05 . . 1 . . . . . . . . 4267 1 1910 . 1 1 156 156 PHE CD1 C 13 131.7 . . 1 . . . . . . . . 4267 1 1911 . 1 1 156 156 PHE CD2 C 13 131.7 . . 1 . . . . . . . . 4267 1 1912 . 1 1 156 156 PHE N N 15 120.84 . . 1 . . . . . . . . 4267 1 1913 . 1 1 157 157 SER H H 1 8.47 . . 1 . . . . . . . . 4267 1 1914 . 1 1 157 157 SER HA H 1 3.59 . . 1 . . . . . . . . 4267 1 1915 . 1 1 157 157 SER HB2 H 1 3.79 . . 2 . . . . . . . . 4267 1 1916 . 1 1 157 157 SER HB3 H 1 3.23 . . 2 . . . . . . . . 4267 1 1917 . 1 1 157 157 SER C C 13 176.54 . . 1 . . . . . . . . 4267 1 1918 . 1 1 157 157 SER CA C 13 63.96 . . 1 . . . . . . . . 4267 1 1919 . 1 1 157 157 SER CB C 13 62.14 . . 1 . . . . . . . . 4267 1 1920 . 1 1 157 157 SER N N 15 118.38 . . 1 . . . . . . . . 4267 1 1921 . 1 1 158 158 LYS H H 1 8.56 . . 1 . . . . . . . . 4267 1 1922 . 1 1 158 158 LYS HA H 1 4.47 . . 1 . . . . . . . . 4267 1 1923 . 1 1 158 158 LYS HB2 H 1 1.82 . . 1 . . . . . . . . 4267 1 1924 . 1 1 158 158 LYS HB3 H 1 1.82 . . 1 . . . . . . . . 4267 1 1925 . 1 1 158 158 LYS HG2 H 1 1.46 . . 1 . . . . . . . . 4267 1 1926 . 1 1 158 158 LYS HG3 H 1 1.46 . . 1 . . . . . . . . 4267 1 1927 . 1 1 158 158 LYS HD2 H 1 1.66 . . 1 . . . . . . . . 4267 1 1928 . 1 1 158 158 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 4267 1 1929 . 1 1 158 158 LYS HE2 H 1 2.91 . . 2 . . . . . . . . 4267 1 1930 . 1 1 158 158 LYS HE3 H 1 2.81 . . 2 . . . . . . . . 4267 1 1931 . 1 1 158 158 LYS C C 13 181.36 . . 1 . . . . . . . . 4267 1 1932 . 1 1 158 158 LYS CA C 13 59.21 . . 1 . . . . . . . . 4267 1 1933 . 1 1 158 158 LYS CB C 13 32.01 . . 1 . . . . . . . . 4267 1 1934 . 1 1 158 158 LYS CD C 13 29.9 . . 1 . . . . . . . . 4267 1 1935 . 1 1 158 158 LYS CE C 13 41.9 . . 1 . . . . . . . . 4267 1 1936 . 1 1 158 158 LYS N N 15 121.39 . . 1 . . . . . . . . 4267 1 1937 . 1 1 159 159 SER H H 1 8.11 . . 1 . . . . . . . . 4267 1 1938 . 1 1 159 159 SER HA H 1 4.32 . . 1 . . . . . . . . 4267 1 1939 . 1 1 159 159 SER HB2 H 1 4.06 . . 2 . . . . . . . . 4267 1 1940 . 1 1 159 159 SER HB3 H 1 4.00 . . 2 . . . . . . . . 4267 1 1941 . 1 1 159 159 SER C C 13 174.81 . . 1 . . . . . . . . 4267 1 1942 . 1 1 159 159 SER CA C 13 61.14 . . 1 . . . . . . . . 4267 1 1943 . 1 1 159 159 SER CB C 13 62.14 . . 1 . . . . . . . . 4267 1 1944 . 1 1 159 159 SER N N 15 119.27 . . 1 . . . . . . . . 4267 1 1945 . 1 1 160 160 LEU H H 1 7.03 . . 1 . . . . . . . . 4267 1 1946 . 1 1 160 160 LEU HA H 1 4.18 . . 1 . . . . . . . . 4267 1 1947 . 1 1 160 160 LEU HB2 H 1 1.74 . . 1 . . . . . . . . 4267 1 1948 . 1 1 160 160 LEU HB3 H 1 1.55 . . 1 . . . . . . . . 4267 1 1949 . 1 1 160 160 LEU HG H 1 1.30 . . 1 . . . . . . . . 4267 1 1950 . 1 1 160 160 LEU HD11 H 1 0.58 . . 1 . . . . . . . . 4267 1 1951 . 1 1 160 160 LEU HD12 H 1 0.58 . . 1 . . . . . . . . 4267 1 1952 . 1 1 160 160 LEU HD13 H 1 0.58 . . 1 . . . . . . . . 4267 1 1953 . 1 1 160 160 LEU HD21 H 1 0.37 . . 1 . . . . . . . . 4267 1 1954 . 1 1 160 160 LEU HD22 H 1 0.37 . . 1 . . . . . . . . 4267 1 1955 . 1 1 160 160 LEU HD23 H 1 0.37 . . 1 . . . . . . . . 4267 1 1956 . 1 1 160 160 LEU C C 13 175.70 . . 1 . . . . . . . . 4267 1 1957 . 1 1 160 160 LEU CA C 13 53.91 . . 1 . . . . . . . . 4267 1 1958 . 1 1 160 160 LEU CB C 13 40.24 . . 1 . . . . . . . . 4267 1 1959 . 1 1 160 160 LEU CG C 13 25.5 . . 1 . . . . . . . . 4267 1 1960 . 1 1 160 160 LEU CD1 C 13 26.3 . . 1 . . . . . . . . 4267 1 1961 . 1 1 160 160 LEU CD2 C 13 21.5 . . 1 . . . . . . . . 4267 1 1962 . 1 1 160 160 LEU N N 15 120.35 . . 1 . . . . . . . . 4267 1 1963 . 1 1 161 161 GLY H H 1 7.76 . . 1 . . . . . . . . 4267 1 1964 . 1 1 161 161 GLY HA2 H 1 4.23 . . 1 . . . . . . . . 4267 1 1965 . 1 1 161 161 GLY HA3 H 1 3.65 . . 1 . . . . . . . . 4267 1 1966 . 1 1 161 161 GLY C C 13 174.12 . . 1 . . . . . . . . 4267 1 1967 . 1 1 161 161 GLY CA C 13 44.44 . . 1 . . . . . . . . 4267 1 1968 . 1 1 161 161 GLY N N 15 104.68 . . 1 . . . . . . . . 4267 1 1969 . 1 1 162 162 LEU H H 1 7.24 . . 1 . . . . . . . . 4267 1 1970 . 1 1 162 162 LEU HA H 1 4.55 . . 1 . . . . . . . . 4267 1 1971 . 1 1 162 162 LEU HB2 H 1 1.51 . . 1 . . . . . . . . 4267 1 1972 . 1 1 162 162 LEU HB3 H 1 0.99 . . 1 . . . . . . . . 4267 1 1973 . 1 1 162 162 LEU HG H 1 1.54 . . 1 . . . . . . . . 4267 1 1974 . 1 1 162 162 LEU HD11 H 1 0.69 . . 1 . . . . . . . . 4267 1 1975 . 1 1 162 162 LEU HD12 H 1 0.69 . . 1 . . . . . . . . 4267 1 1976 . 1 1 162 162 LEU HD13 H 1 0.69 . . 1 . . . . . . . . 4267 1 1977 . 1 1 162 162 LEU HD21 H 1 0.47 . . 1 . . . . . . . . 4267 1 1978 . 1 1 162 162 LEU HD22 H 1 0.47 . . 1 . . . . . . . . 4267 1 1979 . 1 1 162 162 LEU HD23 H 1 0.47 . . 1 . . . . . . . . 4267 1 1980 . 1 1 162 162 LEU CA C 13 51.76 . . 1 . . . . . . . . 4267 1 1981 . 1 1 162 162 LEU CB C 13 41.48 . . 1 . . . . . . . . 4267 1 1982 . 1 1 162 162 LEU CG C 13 26.1 . . 1 . . . . . . . . 4267 1 1983 . 1 1 162 162 LEU CD1 C 13 25.8 . . 1 . . . . . . . . 4267 1 1984 . 1 1 162 162 LEU CD2 C 13 22.3 . . 1 . . . . . . . . 4267 1 1985 . 1 1 162 162 LEU N N 15 118.60 . . 1 . . . . . . . . 4267 1 1986 . 1 1 163 163 PRO HA H 1 4.71 . . 1 . . . . . . . . 4267 1 1987 . 1 1 163 163 PRO HB2 H 1 2.28 . . 2 . . . . . . . . 4267 1 1988 . 1 1 163 163 PRO HB3 H 1 2.44 . . 2 . . . . . . . . 4267 1 1989 . 1 1 163 163 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 4267 1 1990 . 1 1 163 163 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 4267 1 1991 . 1 1 163 163 PRO HD2 H 1 4.07 . . 2 . . . . . . . . 4267 1 1992 . 1 1 163 163 PRO HD3 H 1 3.10 . . 2 . . . . . . . . 4267 1 1993 . 1 1 163 163 PRO C C 13 177.37 . . 1 . . . . . . . . 4267 1 1994 . 1 1 163 163 PRO CA C 13 60.89 . . 1 . . . . . . . . 4267 1 1995 . 1 1 163 163 PRO CB C 13 32.38 . . 1 . . . . . . . . 4267 1 1996 . 1 1 163 163 PRO CG C 13 27.2 . . 1 . . . . . . . . 4267 1 1997 . 1 1 163 163 PRO CD C 13 50.5 . . 1 . . . . . . . . 4267 1 1998 . 1 1 164 164 GLU H H 1 8.91 . . 1 . . . . . . . . 4267 1 1999 . 1 1 164 164 GLU HA H 1 3.85 . . 1 . . . . . . . . 4267 1 2000 . 1 1 164 164 GLU HB2 H 1 2.13 . . 1 . . . . . . . . 4267 1 2001 . 1 1 164 164 GLU HB3 H 1 2.13 . . 1 . . . . . . . . 4267 1 2002 . 1 1 164 164 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 4267 1 2003 . 1 1 164 164 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 4267 1 2004 . 1 1 164 164 GLU C C 13 176.84 . . 1 . . . . . . . . 4267 1 2005 . 1 1 164 164 GLU CA C 13 59.94 . . 1 . . . . . . . . 4267 1 2006 . 1 1 164 164 GLU CB C 13 29.29 . . 1 . . . . . . . . 4267 1 2007 . 1 1 164 164 GLU CG C 13 37.15 . . 1 . . . . . . . . 4267 1 2008 . 1 1 164 164 GLU N N 15 117.72 . . 1 . . . . . . . . 4267 1 2009 . 1 1 165 165 ASN H H 1 8.32 . . 1 . . . . . . . . 4267 1 2010 . 1 1 165 165 ASN HA H 1 4.55 . . 1 . . . . . . . . 4267 1 2011 . 1 1 165 165 ASN HB2 H 1 3.24 . . 1 . . . . . . . . 4267 1 2012 . 1 1 165 165 ASN HB3 H 1 2.85 . . 1 . . . . . . . . 4267 1 2013 . 1 1 165 165 ASN HD21 H 1 7.71 . . 1 . . . . . . . . 4267 1 2014 . 1 1 165 165 ASN HD22 H 1 6.87 . . 1 . . . . . . . . 4267 1 2015 . 1 1 165 165 ASN C C 13 174.55 . . 1 . . . . . . . . 4267 1 2016 . 1 1 165 165 ASN CA C 13 54.13 . . 1 . . . . . . . . 4267 1 2017 . 1 1 165 165 ASN CB C 13 35.95 . . 1 . . . . . . . . 4267 1 2018 . 1 1 165 165 ASN CG C 13 178.61 . . 1 . . . . . . . . 4267 1 2019 . 1 1 165 165 ASN N N 15 112.63 . . 1 . . . . . . . . 4267 1 2020 . 1 1 165 165 ASN ND2 N 15 112.52 . . 1 . . . . . . . . 4267 1 2021 . 1 1 166 166 HIS H H 1 8.23 . . 1 . . . . . . . . 4267 1 2022 . 1 1 166 166 HIS HA H 1 5.20 . . 1 . . . . . . . . 4267 1 2023 . 1 1 166 166 HIS HB2 H 1 1.72 . . 2 . . . . . . . . 4267 1 2024 . 1 1 166 166 HIS HB3 H 1 1.63 . . 2 . . . . . . . . 4267 1 2025 . 1 1 166 166 HIS C C 13 171.61 . . 1 . . . . . . . . 4267 1 2026 . 1 1 166 166 HIS CA C 13 55.41 . . 1 . . . . . . . . 4267 1 2027 . 1 1 166 166 HIS CB C 13 28.58 . . 1 . . . . . . . . 4267 1 2028 . 1 1 166 166 HIS N N 15 118.13 . . 1 . . . . . . . . 4267 1 2029 . 1 1 167 167 ILE H H 1 7.20 . . 1 . . . . . . . . 4267 1 2030 . 1 1 167 167 ILE HA H 1 4.45 . . 1 . . . . . . . . 4267 1 2031 . 1 1 167 167 ILE HB H 1 1.87 . . 1 . . . . . . . . 4267 1 2032 . 1 1 167 167 ILE HG12 H 1 1.87 . . 2 . . . . . . . . 4267 1 2033 . 1 1 167 167 ILE HG13 H 1 1.62 . . 2 . . . . . . . . 4267 1 2034 . 1 1 167 167 ILE HG21 H 1 0.63 . . 1 . . . . . . . . 4267 1 2035 . 1 1 167 167 ILE HG22 H 1 0.63 . . 1 . . . . . . . . 4267 1 2036 . 1 1 167 167 ILE HG23 H 1 0.63 . . 1 . . . . . . . . 4267 1 2037 . 1 1 167 167 ILE HD11 H 1 0.74 . . 1 . . . . . . . . 4267 1 2038 . 1 1 167 167 ILE HD12 H 1 0.74 . . 1 . . . . . . . . 4267 1 2039 . 1 1 167 167 ILE HD13 H 1 0.74 . . 1 . . . . . . . . 4267 1 2040 . 1 1 167 167 ILE C C 13 174.62 . . 1 . . . . . . . . 4267 1 2041 . 1 1 167 167 ILE CA C 13 61.31 . . 1 . . . . . . . . 4267 1 2042 . 1 1 167 167 ILE CB C 13 39.76 . . 1 . . . . . . . . 4267 1 2043 . 1 1 167 167 ILE CG1 C 13 30.3 . . 1 . . . . . . . . 4267 1 2044 . 1 1 167 167 ILE CG2 C 13 18.1 . . 1 . . . . . . . . 4267 1 2045 . 1 1 167 167 ILE CD1 C 13 15.9 . . 1 . . . . . . . . 4267 1 2046 . 1 1 167 167 ILE N N 15 118.18 . . 1 . . . . . . . . 4267 1 2047 . 1 1 168 168 VAL H H 1 9.36 . . 1 . . . . . . . . 4267 1 2048 . 1 1 168 168 VAL HA H 1 4.55 . . 1 . . . . . . . . 4267 1 2049 . 1 1 168 168 VAL HB H 1 1.95 . . 1 . . . . . . . . 4267 1 2050 . 1 1 168 168 VAL HG11 H 1 0.76 . . 2 . . . . . . . . 4267 1 2051 . 1 1 168 168 VAL HG12 H 1 0.76 . . 2 . . . . . . . . 4267 1 2052 . 1 1 168 168 VAL HG13 H 1 0.76 . . 2 . . . . . . . . 4267 1 2053 . 1 1 168 168 VAL HG21 H 1 0.80 . . 2 . . . . . . . . 4267 1 2054 . 1 1 168 168 VAL HG22 H 1 0.80 . . 2 . . . . . . . . 4267 1 2055 . 1 1 168 168 VAL HG23 H 1 0.80 . . 2 . . . . . . . . 4267 1 2056 . 1 1 168 168 VAL C C 13 173.34 . . 1 . . . . . . . . 4267 1 2057 . 1 1 168 168 VAL CA C 13 59.50 . . 1 . . . . . . . . 4267 1 2058 . 1 1 168 168 VAL CB C 13 36.07 . . 1 . . . . . . . . 4267 1 2059 . 1 1 168 168 VAL CG1 C 13 20.8 . . 1 . . . . . . . . 4267 1 2060 . 1 1 168 168 VAL CG2 C 13 20.8 . . 1 . . . . . . . . 4267 1 2061 . 1 1 168 168 VAL N N 15 123.97 . . 1 . . . . . . . . 4267 1 2062 . 1 1 169 169 PHE H H 1 8.93 . . 1 . . . . . . . . 4267 1 2063 . 1 1 169 169 PHE HA H 1 5.38 . . 1 . . . . . . . . 4267 1 2064 . 1 1 169 169 PHE HB2 H 1 3.33 . . 1 . . . . . . . . 4267 1 2065 . 1 1 169 169 PHE HB3 H 1 2.97 . . 1 . . . . . . . . 4267 1 2066 . 1 1 169 169 PHE HD1 H 1 7.65 . . 1 . . . . . . . . 4267 1 2067 . 1 1 169 169 PHE HD2 H 1 7.65 . . 1 . . . . . . . . 4267 1 2068 . 1 1 169 169 PHE HE1 H 1 7.27 . . 1 . . . . . . . . 4267 1 2069 . 1 1 169 169 PHE HE2 H 1 7.27 . . 1 . . . . . . . . 4267 1 2070 . 1 1 169 169 PHE CA C 13 55.06 . . 1 . . . . . . . . 4267 1 2071 . 1 1 169 169 PHE CB C 13 38.95 . . 1 . . . . . . . . 4267 1 2072 . 1 1 169 169 PHE CD1 C 13 132.9 . . 1 . . . . . . . . 4267 1 2073 . 1 1 169 169 PHE CD2 C 13 132.9 . . 1 . . . . . . . . 4267 1 2074 . 1 1 169 169 PHE CE1 C 13 130.1 . . 1 . . . . . . . . 4267 1 2075 . 1 1 169 169 PHE CE2 C 13 130.1 . . 1 . . . . . . . . 4267 1 2076 . 1 1 169 169 PHE N N 15 123.86 . . 1 . . . . . . . . 4267 1 2077 . 1 1 170 170 PRO HA H 1 4.29 . . 1 . . . . . . . . 4267 1 2078 . 1 1 170 170 PRO HB2 H 1 2.00 . . 2 . . . . . . . . 4267 1 2079 . 1 1 170 170 PRO HB3 H 1 1.78 . . 2 . . . . . . . . 4267 1 2080 . 1 1 170 170 PRO HG2 H 1 1.92 . . 2 . . . . . . . . 4267 1 2081 . 1 1 170 170 PRO HG3 H 1 1.51 . . 2 . . . . . . . . 4267 1 2082 . 1 1 170 170 PRO HD2 H 1 3.83 . . 2 . . . . . . . . 4267 1 2083 . 1 1 170 170 PRO HD3 H 1 3.53 . . 2 . . . . . . . . 4267 1 2084 . 1 1 170 170 PRO C C 13 175.26 . . 1 . . . . . . . . 4267 1 2085 . 1 1 170 170 PRO CA C 13 62.54 . . 1 . . . . . . . . 4267 1 2086 . 1 1 170 170 PRO CB C 13 32.86 . . 1 . . . . . . . . 4267 1 2087 . 1 1 170 170 PRO CD C 13 51.2 . . 1 . . . . . . . . 4267 1 2088 . 1 1 171 171 VAL H H 1 8.64 . . 1 . . . . . . . . 4267 1 2089 . 1 1 171 171 VAL HA H 1 4.45 . . 1 . . . . . . . . 4267 1 2090 . 1 1 171 171 VAL HB H 1 2.16 . . 1 . . . . . . . . 4267 1 2091 . 1 1 171 171 VAL HG11 H 1 1.16 . . 1 . . . . . . . . 4267 1 2092 . 1 1 171 171 VAL HG12 H 1 1.16 . . 1 . . . . . . . . 4267 1 2093 . 1 1 171 171 VAL HG13 H 1 1.16 . . 1 . . . . . . . . 4267 1 2094 . 1 1 171 171 VAL HG21 H 1 1.16 . . 1 . . . . . . . . 4267 1 2095 . 1 1 171 171 VAL HG22 H 1 1.16 . . 1 . . . . . . . . 4267 1 2096 . 1 1 171 171 VAL HG23 H 1 1.16 . . 1 . . . . . . . . 4267 1 2097 . 1 1 171 171 VAL CA C 13 60.05 . . 1 . . . . . . . . 4267 1 2098 . 1 1 171 171 VAL CB C 13 32.69 . . 1 . . . . . . . . 4267 1 2099 . 1 1 171 171 VAL CG1 C 13 20.8 . . 1 . . . . . . . . 4267 1 2100 . 1 1 171 171 VAL CG2 C 13 20.8 . . 1 . . . . . . . . 4267 1 2101 . 1 1 171 171 VAL N N 15 122.19 . . 1 . . . . . . . . 4267 1 2102 . 1 1 172 172 PRO HA H 1 4.60 . . 1 . . . . . . . . 4267 1 2103 . 1 1 172 172 PRO HB2 H 1 2.06 . . 2 . . . . . . . . 4267 1 2104 . 1 1 172 172 PRO HB3 H 1 1.91 . . 2 . . . . . . . . 4267 1 2105 . 1 1 172 172 PRO HG2 H 1 2.16 . . 2 . . . . . . . . 4267 1 2106 . 1 1 172 172 PRO HG3 H 1 2.06 . . 2 . . . . . . . . 4267 1 2107 . 1 1 172 172 PRO HD2 H 1 4.14 . . 2 . . . . . . . . 4267 1 2108 . 1 1 172 172 PRO HD3 H 1 3.83 . . 2 . . . . . . . . 4267 1 2109 . 1 1 172 172 PRO C C 13 174.52 . . 1 . . . . . . . . 4267 1 2110 . 1 1 172 172 PRO CA C 13 63.86 . . 1 . . . . . . . . 4267 1 2111 . 1 1 172 172 PRO CB C 13 31.91 . . 1 . . . . . . . . 4267 1 2112 . 1 1 172 172 PRO CG C 13 27.9 . . 1 . . . . . . . . 4267 1 2113 . 1 1 172 172 PRO CD C 13 51.2 . . 1 . . . . . . . . 4267 1 2114 . 1 1 173 173 ILE H H 1 6.56 . . 1 . . . . . . . . 4267 1 2115 . 1 1 173 173 ILE HA H 1 4.73 . . 1 . . . . . . . . 4267 1 2116 . 1 1 173 173 ILE HB H 1 2.08 . . 1 . . . . . . . . 4267 1 2117 . 1 1 173 173 ILE HG12 H 1 1.89 . . 2 . . . . . . . . 4267 1 2118 . 1 1 173 173 ILE HG13 H 1 1.45 . . 2 . . . . . . . . 4267 1 2119 . 1 1 173 173 ILE HG21 H 1 1.15 . . 1 . . . . . . . . 4267 1 2120 . 1 1 173 173 ILE HG22 H 1 1.15 . . 1 . . . . . . . . 4267 1 2121 . 1 1 173 173 ILE HG23 H 1 1.15 . . 1 . . . . . . . . 4267 1 2122 . 1 1 173 173 ILE HD11 H 1 0.94 . . 1 . . . . . . . . 4267 1 2123 . 1 1 173 173 ILE HD12 H 1 0.94 . . 1 . . . . . . . . 4267 1 2124 . 1 1 173 173 ILE HD13 H 1 0.94 . . 1 . . . . . . . . 4267 1 2125 . 1 1 173 173 ILE C C 13 174.54 . . 1 . . . . . . . . 4267 1 2126 . 1 1 173 173 ILE CA C 13 59.31 . . 1 . . . . . . . . 4267 1 2127 . 1 1 173 173 ILE CB C 13 42.86 . . 1 . . . . . . . . 4267 1 2128 . 1 1 173 173 ILE CG1 C 13 29.8 . . 1 . . . . . . . . 4267 1 2129 . 1 1 173 173 ILE CG2 C 13 18.4 . . 1 . . . . . . . . 4267 1 2130 . 1 1 173 173 ILE CD1 C 13 14.1 . . 1 . . . . . . . . 4267 1 2131 . 1 1 173 173 ILE N N 15 113.50 . . 1 . . . . . . . . 4267 1 2132 . 1 1 174 174 ASP H H 1 8.25 . . 1 . . . . . . . . 4267 1 2133 . 1 1 174 174 ASP HA H 1 4.68 . . 1 . . . . . . . . 4267 1 2134 . 1 1 174 174 ASP HB2 H 1 2.63 . . 1 . . . . . . . . 4267 1 2135 . 1 1 174 174 ASP HB3 H 1 2.63 . . 1 . . . . . . . . 4267 1 2136 . 1 1 174 174 ASP C C 13 175.85 . . 1 . . . . . . . . 4267 1 2137 . 1 1 174 174 ASP CA C 13 53.38 . . 1 . . . . . . . . 4267 1 2138 . 1 1 174 174 ASP CB C 13 41.18 . . 1 . . . . . . . . 4267 1 2139 . 1 1 174 174 ASP N N 15 118.05 . . 1 . . . . . . . . 4267 1 2140 . 1 1 175 175 GLN H H 1 7.11 . . 1 . . . . . . . . 4267 1 2141 . 1 1 175 175 GLN HA H 1 4.14 . . 1 . . . . . . . . 4267 1 2142 . 1 1 175 175 GLN HB2 H 1 1.49 . . 1 . . . . . . . . 4267 1 2143 . 1 1 175 175 GLN HB3 H 1 2.00 . . 1 . . . . . . . . 4267 1 2144 . 1 1 175 175 GLN HG2 H 1 2.72 . . 2 . . . . . . . . 4267 1 2145 . 1 1 175 175 GLN HG3 H 1 2.58 . . 2 . . . . . . . . 4267 1 2146 . 1 1 175 175 GLN HE21 H 1 7.75 . . 1 . . . . . . . . 4267 1 2147 . 1 1 175 175 GLN HE22 H 1 7.33 . . 1 . . . . . . . . 4267 1 2148 . 1 1 175 175 GLN CA C 13 56.30 . . 1 . . . . . . . . 4267 1 2149 . 1 1 175 175 GLN CB C 13 29.17 . . 1 . . . . . . . . 4267 1 2150 . 1 1 175 175 GLN N N 15 118.71 . . 1 . . . . . . . . 4267 1 2151 . 1 1 175 175 GLN NE2 N 15 113.01 . . 1 . . . . . . . . 4267 1 2152 . 1 1 176 176 CYS H H 1 8.90 . . 1 . . . . . . . . 4267 1 2153 . 1 1 176 176 CYS HA H 1 4.09 . . 1 . . . . . . . . 4267 1 2154 . 1 1 176 176 CYS HB2 H 1 2.69 . . 1 . . . . . . . . 4267 1 2155 . 1 1 176 176 CYS HB3 H 1 3.37 . . 1 . . . . . . . . 4267 1 2156 . 1 1 176 176 CYS C C 13 176.83 . . 1 . . . . . . . . 4267 1 2157 . 1 1 176 176 CYS CA C 13 59.88 . . 1 . . . . . . . . 4267 1 2158 . 1 1 176 176 CYS CB C 13 36.5 . . 1 . . . . . . . . 4267 1 2159 . 1 1 176 176 CYS N N 15 114.61 . . 1 . . . . . . . . 4267 1 2160 . 1 1 177 177 ILE H H 1 9.00 . . 1 . . . . . . . . 4267 1 2161 . 1 1 177 177 ILE HA H 1 3.97 . . 1 . . . . . . . . 4267 1 2162 . 1 1 177 177 ILE HB H 1 2.14 . . 1 . . . . . . . . 4267 1 2163 . 1 1 177 177 ILE HG12 H 1 1.71 . . 2 . . . . . . . . 4267 1 2164 . 1 1 177 177 ILE HG13 H 1 1.45 . . 2 . . . . . . . . 4267 1 2165 . 1 1 177 177 ILE HG21 H 1 0.95 . . 1 . . . . . . . . 4267 1 2166 . 1 1 177 177 ILE HG22 H 1 0.95 . . 1 . . . . . . . . 4267 1 2167 . 1 1 177 177 ILE HG23 H 1 0.95 . . 1 . . . . . . . . 4267 1 2168 . 1 1 177 177 ILE HD11 H 1 0.95 . . 1 . . . . . . . . 4267 1 2169 . 1 1 177 177 ILE HD12 H 1 0.95 . . 1 . . . . . . . . 4267 1 2170 . 1 1 177 177 ILE HD13 H 1 0.95 . . 1 . . . . . . . . 4267 1 2171 . 1 1 177 177 ILE C C 13 174.91 . . 1 . . . . . . . . 4267 1 2172 . 1 1 177 177 ILE CA C 13 63.70 . . 1 . . . . . . . . 4267 1 2173 . 1 1 177 177 ILE CB C 13 38.68 . . 1 . . . . . . . . 4267 1 2174 . 1 1 177 177 ILE CG1 C 13 27.3 . . 1 . . . . . . . . 4267 1 2175 . 1 1 177 177 ILE CG2 C 13 18.3 . . 1 . . . . . . . . 4267 1 2176 . 1 1 177 177 ILE CD1 C 13 16.2 . . 1 . . . . . . . . 4267 1 2177 . 1 1 177 177 ILE N N 15 116.8 . . 1 . . . . . . . . 4267 1 2178 . 1 1 178 178 ASP H H 1 8.21 . . 1 . . . . . . . . 4267 1 2179 . 1 1 178 178 ASP HA H 1 4.82 . . 1 . . . . . . . . 4267 1 2180 . 1 1 178 178 ASP HB2 H 1 2.66 . . 1 . . . . . . . . 4267 1 2181 . 1 1 178 178 ASP HB3 H 1 2.88 . . 1 . . . . . . . . 4267 1 2182 . 1 1 178 178 ASP C C 13 175.50 . . 1 . . . . . . . . 4267 1 2183 . 1 1 178 178 ASP CA C 13 54.06 . . 1 . . . . . . . . 4267 1 2184 . 1 1 178 178 ASP CB C 13 40.95 . . 1 . . . . . . . . 4267 1 2185 . 1 1 178 178 ASP N N 15 121.73 . . 1 . . . . . . . . 4267 1 2186 . 1 1 179 179 GLY H H 1 7.66 . . 1 . . . . . . . . 4267 1 2187 . 1 1 179 179 GLY HA2 H 1 3.74 . . 2 . . . . . . . . 4267 1 2188 . 1 1 179 179 GLY HA3 H 1 3.77 . . 2 . . . . . . . . 4267 1 2189 . 1 1 179 179 GLY C C 13 177.08 . . 1 . . . . . . . . 4267 1 2190 . 1 1 179 179 GLY CA C 13 46.06 . . 1 . . . . . . . . 4267 1 2191 . 1 1 179 179 GLY N N 15 114.48 . . 1 . . . . . . . . 4267 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants _Coupling_constant_list.Entry_ID 4267 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_all _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details ; 3JHNHA couplings measured from ratio of cross to diagonal peaks in an HNHA experiment. ; _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $HNGAL_sample_N15 . 4267 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 9 9 ILE H H 1 . . 1 1 9 9 ILE HA H 1 . 4.3 . . . . . . . . . . . . . . 4267 1 2 3JHNHA . 1 1 11 11 ALA H H 1 . . 1 1 11 11 ALA HA H 1 . 4.5 . . . . . . . . . . . . . . 4267 1 3 3JHNHA . 1 1 16 16 LYS H H 1 . . 1 1 16 16 LYS HA H 1 . 9.1 . . . . . . . . . . . . . . 4267 1 4 3JHNHA . 1 1 17 17 VAL H H 1 . . 1 1 17 17 VAL HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 5 3JHNHA . 1 1 19 19 LEU H H 1 . . 1 1 19 19 LEU HA H 1 . 9.2 . . . . . . . . . . . . . . 4267 1 6 3JHNHA . 1 1 20 20 GLN H H 1 . . 1 1 20 20 GLN HA H 1 . 3.8 . . . . . . . . . . . . . . 4267 1 7 3JHNHA . 1 1 21 21 GLN H H 1 . . 1 1 21 21 GLN HA H 1 . 3.8 . . . . . . . . . . . . . . 4267 1 8 3JHNHA . 1 1 23 23 PHE H H 1 . . 1 1 23 23 PHE HA H 1 . 1.5 . . . . . . . . . . . . . . 4267 1 9 3JHNHA . 1 1 24 24 GLN H H 1 . . 1 1 24 24 GLN HA H 1 . 11.0 . . . . . . . . . . . . . . 4267 1 10 3JHNHA . 1 1 25 25 ASP H H 1 . . 1 1 25 25 ASP HA H 1 . 2.6 . . . . . . . . . . . . . . 4267 1 11 3JHNHA . 1 1 26 26 ASN H H 1 . . 1 1 26 26 ASN HA H 1 . 4.2 . . . . . . . . . . . . . . 4267 1 12 3JHNHA . 1 1 27 27 GLN H H 1 . . 1 1 27 27 GLN HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 13 3JHNHA . 1 1 29 29 GLN H H 1 . . 1 1 29 29 GLN HA H 1 . 3.3 . . . . . . . . . . . . . . 4267 1 14 3JHNHA . 1 1 30 30 GLY H H 1 . . 1 1 30 30 GLY HA2 H 1 . 8.5 . . . . . . . . . . . . . . 4267 1 15 3JHNHA . 1 1 30 30 GLY H H 1 . . 1 1 30 30 GLY HA3 H 1 . 2.0 . . . . . . . . . . . . . . 4267 1 16 3JHNHA . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS HA H 1 . 8.5 . . . . . . . . . . . . . . 4267 1 17 3JHNHA . 1 1 32 32 TRP H H 1 . . 1 1 32 32 TRP HA H 1 . 9.0 . . . . . . . . . . . . . . 4267 1 18 3JHNHA . 1 1 33 33 TYR H H 1 . . 1 1 33 33 TYR HA H 1 . 8.5 . . . . . . . . . . . . . . 4267 1 19 3JHNHA . 1 1 34 34 VAL H H 1 . . 1 1 34 34 VAL HA H 1 . 4.0 . . . . . . . . . . . . . . 4267 1 20 3JHNHA . 1 1 36 36 GLY H H 1 . . 1 1 36 36 GLY HA2 H 1 . 3.7 . . . . . . . . . . . . . . 4267 1 21 3JHNHA . 1 1 36 36 GLY H H 1 . . 1 1 36 36 GLY HA3 H 1 . 3.7 . . . . . . . . . . . . . . 4267 1 22 3JHNHA . 1 1 37 37 LEU H H 1 . . 1 1 37 37 LEU HA H 1 . 8.2 . . . . . . . . . . . . . . 4267 1 23 3JHNHA . 1 1 38 38 ALA H H 1 . . 1 1 38 38 ALA HA H 1 . 8.6 . . . . . . . . . . . . . . 4267 1 24 3JHNHA . 1 1 39 39 GLY H H 1 . . 1 1 39 39 GLY HA2 H 1 . 2.7 . . . . . . . . . . . . . . 4267 1 25 3JHNHA . 1 1 39 39 GLY H H 1 . . 1 1 39 39 GLY HA3 H 1 . 2.7 . . . . . . . . . . . . . . 4267 1 26 3JHNHA . 1 1 41 41 ALA H H 1 . . 1 1 41 41 ALA HA H 1 . 9.8 . . . . . . . . . . . . . . 4267 1 27 3JHNHA . 1 1 42 42 ILE H H 1 . . 1 1 42 42 ILE HA H 1 . 9.1 . . . . . . . . . . . . . . 4267 1 28 3JHNHA . 1 1 43 43 LEU H H 1 . . 1 1 43 43 LEU HA H 1 . 9.4 . . . . . . . . . . . . . . 4267 1 29 3JHNHA . 1 1 48 48 ASP H H 1 . . 1 1 48 48 ASP HA H 1 . 9.5 . . . . . . . . . . . . . . 4267 1 30 3JHNHA . 1 1 54 54 ALA H H 1 . . 1 1 54 54 ALA HA H 1 . 8.5 . . . . . . . . . . . . . . 4267 1 31 3JHNHA . 1 1 55 55 THR H H 1 . . 1 1 55 55 THR HA H 1 . 8.1 . . . . . . . . . . . . . . 4267 1 32 3JHNHA . 1 1 57 57 TYR H H 1 . . 1 1 57 57 TYR HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 33 3JHNHA . 1 1 58 58 GLU H H 1 . . 1 1 58 58 GLU HA H 1 . 9.0 . . . . . . . . . . . . . . 4267 1 34 3JHNHA . 1 1 60 60 LYS H H 1 . . 1 1 60 60 LYS HA H 1 . 9.4 . . . . . . . . . . . . . . 4267 1 35 3JHNHA . 1 1 61 61 GLU H H 1 . . 1 1 61 61 GLU HA H 1 . 3.3 . . . . . . . . . . . . . . 4267 1 36 3JHNHA . 1 1 62 62 ASP H H 1 . . 1 1 62 62 ASP HA H 1 . 8.9 . . . . . . . . . . . . . . 4267 1 37 3JHNHA . 1 1 64 64 SER H H 1 . . 1 1 64 64 SER HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 38 3JHNHA . 1 1 65 65 TYR H H 1 . . 1 1 65 65 TYR HA H 1 . 9.1 . . . . . . . . . . . . . . 4267 1 39 3JHNHA . 1 1 66 66 ASN H H 1 . . 1 1 66 66 ASN HA H 1 . 9.4 . . . . . . . . . . . . . . 4267 1 40 3JHNHA . 1 1 67 67 VAL H H 1 . . 1 1 67 67 VAL HA H 1 . 8.8 . . . . . . . . . . . . . . 4267 1 41 3JHNHA . 1 1 68 68 THR H H 1 . . 1 1 68 68 THR HA H 1 . 8.5 . . . . . . . . . . . . . . 4267 1 42 3JHNHA . 1 1 71 71 LEU H H 1 . . 1 1 71 71 LEU HA H 1 . 9.0 . . . . . . . . . . . . . . 4267 1 43 3JHNHA . 1 1 73 73 ARG H H 1 . . 1 1 73 73 ARG HA H 1 . 9.0 . . . . . . . . . . . . . . 4267 1 44 3JHNHA . 1 1 74 74 LYS H H 1 . . 1 1 74 74 LYS HA H 1 . 5.0 . . . . . . . . . . . . . . 4267 1 45 3JHNHA . 1 1 75 75 LYS H H 1 . . 1 1 75 75 LYS HA H 1 . 8.5 . . . . . . . . . . . . . . 4267 1 46 3JHNHA . 1 1 76 76 LYS H H 1 . . 1 1 76 76 LYS HA H 1 . 8.9 . . . . . . . . . . . . . . 4267 1 47 3JHNHA . 1 1 77 77 CYS H H 1 . . 1 1 77 77 CYS HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 48 3JHNHA . 1 1 78 78 ASP H H 1 . . 1 1 78 78 ASP HA H 1 . 9.5 . . . . . . . . . . . . . . 4267 1 49 3JHNHA . 1 1 79 79 TYR H H 1 . . 1 1 79 79 TYR HA H 1 . 8.5 . . . . . . . . . . . . . . 4267 1 50 3JHNHA . 1 1 80 80 TRP H H 1 . . 1 1 80 80 TRP HA H 1 . 11.0 . . . . . . . . . . . . . . 4267 1 51 3JHNHA . 1 1 82 82 ARG H H 1 . . 1 1 82 82 ARG HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 52 3JHNHA . 1 1 83 83 THR H H 1 . . 1 1 83 83 THR HA H 1 . 9.5 . . . . . . . . . . . . . . 4267 1 53 3JHNHA . 1 1 84 84 PHE H H 1 . . 1 1 84 84 PHE HA H 1 . 9.5 . . . . . . . . . . . . . . 4267 1 54 3JHNHA . 1 1 85 85 VAL H H 1 . . 1 1 85 85 VAL HA H 1 . 9.4 . . . . . . . . . . . . . . 4267 1 55 3JHNHA . 1 1 87 87 GLY H H 1 . . 1 1 87 87 GLY HA2 H 1 . 2.5 . . . . . . . . . . . . . . 4267 1 56 3JHNHA . 1 1 87 87 GLY H H 1 . . 1 1 87 87 GLY HA3 H 1 . 8.5 . . . . . . . . . . . . . . 4267 1 57 3JHNHA . 1 1 89 89 GLN H H 1 . . 1 1 89 89 GLN HA H 1 . 8.3 . . . . . . . . . . . . . . 4267 1 58 3JHNHA . 1 1 91 91 GLY H H 1 . . 1 1 91 91 GLY HA2 H 1 . 8.5 . . . . . . . . . . . . . . 4267 1 59 3JHNHA . 1 1 91 91 GLY H H 1 . . 1 1 91 91 GLY HA3 H 1 . 3.5 . . . . . . . . . . . . . . 4267 1 60 3JHNHA . 1 1 92 92 GLU H H 1 . . 1 1 92 92 GLU HA H 1 . 9.0 . . . . . . . . . . . . . . 4267 1 61 3JHNHA . 1 1 93 93 PHE H H 1 . . 1 1 93 93 PHE HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 62 3JHNHA . 1 1 94 94 THR H H 1 . . 1 1 94 94 THR HA H 1 . 9.0 . . . . . . . . . . . . . . 4267 1 63 3JHNHA . 1 1 96 96 GLY H H 1 . . 1 1 96 96 GLY HA2 H 1 . 5.6 . . . . . . . . . . . . . . 4267 1 64 3JHNHA . 1 1 96 96 GLY H H 1 . . 1 1 96 96 GLY HA3 H 1 . 4.3 . . . . . . . . . . . . . . 4267 1 65 3JHNHA . 1 1 98 98 ILE H H 1 . . 1 1 98 98 ILE HA H 1 . 3.8 . . . . . . . . . . . . . . 4267 1 66 3JHNHA . 1 1 99 99 LYS H H 1 . . 1 1 99 99 LYS HA H 1 . 5.1 . . . . . . . . . . . . . . 4267 1 67 3JHNHA . 1 1 100 100 SER H H 1 . . 1 1 100 100 SER HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 68 3JHNHA . 1 1 101 101 TYR H H 1 . . 1 1 101 101 TYR HA H 1 . 9.4 . . . . . . . . . . . . . . 4267 1 69 3JHNHA . 1 1 103 103 GLY H H 1 . . 1 1 103 103 GLY HA2 H 1 . 6.7 . . . . . . . . . . . . . . 4267 1 70 3JHNHA . 1 1 103 103 GLY H H 1 . . 1 1 103 103 GLY HA3 H 1 . 5.6 . . . . . . . . . . . . . . 4267 1 71 3JHNHA . 1 1 104 104 LEU H H 1 . . 1 1 104 104 LEU HA H 1 . 8.5 . . . . . . . . . . . . . . 4267 1 72 3JHNHA . 1 1 105 105 THR H H 1 . . 1 1 105 105 THR HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 73 3JHNHA . 1 1 106 106 SER H H 1 . . 1 1 106 106 SER HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 74 3JHNHA . 1 1 107 107 TYR H H 1 . . 1 1 107 107 TYR HA H 1 . 8.5 . . . . . . . . . . . . . . 4267 1 75 3JHNHA . 1 1 108 108 LEU H H 1 . . 1 1 108 108 LEU HA H 1 . 9.2 . . . . . . . . . . . . . . 4267 1 76 3JHNHA . 1 1 109 109 VAL H H 1 . . 1 1 109 109 VAL HA H 1 . 9.6 . . . . . . . . . . . . . . 4267 1 77 3JHNHA . 1 1 110 110 ARG H H 1 . . 1 1 110 110 ARG HA H 1 . 8.2 . . . . . . . . . . . . . . 4267 1 78 3JHNHA . 1 1 114 114 THR H H 1 . . 1 1 114 114 THR HA H 1 . 9.0 . . . . . . . . . . . . . . 4267 1 79 3JHNHA . 1 1 115 115 ASN H H 1 . . 1 1 115 115 ASN HA H 1 . 11.0 . . . . . . . . . . . . . . 4267 1 80 3JHNHA . 1 1 116 116 TYR H H 1 . . 1 1 116 116 TYR HA H 1 . 3.7 . . . . . . . . . . . . . . 4267 1 81 3JHNHA . 1 1 117 117 ASN H H 1 . . 1 1 117 117 ASN HA H 1 . 9.0 . . . . . . . . . . . . . . 4267 1 82 3JHNHA . 1 1 118 118 GLN H H 1 . . 1 1 118 118 GLN HA H 1 . 11.1 . . . . . . . . . . . . . . 4267 1 83 3JHNHA . 1 1 119 119 HIS H H 1 . . 1 1 119 119 HIS HA H 1 . 8.8 . . . . . . . . . . . . . . 4267 1 84 3JHNHA . 1 1 120 120 ALA H H 1 . . 1 1 120 120 ALA HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 85 3JHNHA . 1 1 121 121 MET H H 1 . . 1 1 121 121 MET HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 86 3JHNHA . 1 1 122 122 VAL H H 1 . . 1 1 122 122 VAL HA H 1 . 10.8 . . . . . . . . . . . . . . 4267 1 87 3JHNHA . 1 1 123 123 PHE H H 1 . . 1 1 123 123 PHE HA H 1 . 9.2 . . . . . . . . . . . . . . 4267 1 88 3JHNHA . 1 1 124 124 PHE H H 1 . . 1 1 124 124 PHE HA H 1 . 9.5 . . . . . . . . . . . . . . 4267 1 89 3JHNHA . 1 1 126 126 LYS H H 1 . . 1 1 125 125 LYS HA H 1 . 8.8 . . . . . . . . . . . . . . 4267 1 90 3JHNHA . 1 1 127 127 VAL H H 1 . . 1 1 127 127 VAL HA H 1 . 9.7 . . . . . . . . . . . . . . 4267 1 91 3JHNHA . 1 1 128 128 SER H H 1 . . 1 1 128 128 SER HA H 1 . 9.3 . . . . . . . . . . . . . . 4267 1 92 3JHNHA . 1 1 130 130 ASN H H 1 . . 1 1 130 130 ASN HA H 1 . 9.7 . . . . . . . . . . . . . . 4267 1 93 3JHNHA . 1 1 131 131 ARG H H 1 . . 1 1 131 131 ARG HA H 1 . 9.6 . . . . . . . . . . . . . . 4267 1 94 3JHNHA . 1 1 132 132 GLU H H 1 . . 1 1 132 132 GLU HA H 1 . 8.4 . . . . . . . . . . . . . . 4267 1 95 3JHNHA . 1 1 133 133 TYR H H 1 . . 1 1 133 133 TYR HA H 1 . 9.3 . . . . . . . . . . . . . . 4267 1 96 3JHNHA . 1 1 136 136 ILE H H 1 . . 1 1 136 136 ILE HA H 1 . 9.2 . . . . . . . . . . . . . . 4267 1 97 3JHNHA . 1 1 137 137 THR H H 1 . . 1 1 137 137 THR HA H 1 . 10.5 . . . . . . . . . . . . . . 4267 1 98 3JHNHA . 1 1 138 138 LEU H H 1 . . 1 1 138 138 LEU HA H 1 . 9.6 . . . . . . . . . . . . . . 4267 1 99 3JHNHA . 1 1 139 139 TYR H H 1 . . 1 1 139 139 TYR HA H 1 . 8.8 . . . . . . . . . . . . . . 4267 1 100 3JHNHA . 1 1 140 140 GLY H H 1 . . 1 1 140 140 GLY HA2 H 1 . 1.5 . . . . . . . . . . . . . . 4267 1 101 3JHNHA . 1 1 140 140 GLY H H 1 . . 1 1 140 140 GLY HA3 H 1 . 1.5 . . . . . . . . . . . . . . 4267 1 102 3JHNHA . 1 1 142 142 THR H H 1 . . 1 1 142 142 THR HA H 1 . 9.4 . . . . . . . . . . . . . . 4267 1 103 3JHNHA . 1 1 143 143 LYS H H 1 . . 1 1 143 143 LYS HA H 1 . 5.8 . . . . . . . . . . . . . . 4267 1 104 3JHNHA . 1 1 144 144 GLU H H 1 . . 1 1 144 144 GLU HA H 1 . 9.2 . . . . . . . . . . . . . . 4267 1 105 3JHNHA . 1 1 147 147 SER H H 1 . . 1 1 147 147 SER HA H 1 . 2.6 . . . . . . . . . . . . . . 4267 1 106 3JHNHA . 1 1 148 148 GLU H H 1 . . 1 1 148 148 GLU HA H 1 . 3.7 . . . . . . . . . . . . . . 4267 1 107 3JHNHA . 1 1 150 150 LYS H H 1 . . 1 1 150 150 LYS HA H 1 . 1.5 . . . . . . . . . . . . . . 4267 1 108 3JHNHA . 1 1 151 151 GLU H H 1 . . 1 1 151 151 GLU HA H 1 . 4.4 . . . . . . . . . . . . . . 4267 1 109 3JHNHA . 1 1 152 152 ASN H H 1 . . 1 1 152 152 ASN HA H 1 . 4.0 . . . . . . . . . . . . . . 4267 1 110 3JHNHA . 1 1 154 154 ILE H H 1 . . 1 1 154 154 ILE HA H 1 . 3.9 . . . . . . . . . . . . . . 4267 1 111 3JHNHA . 1 1 155 155 ARG H H 1 . . 1 1 155 155 ARG HA H 1 . 4.1 . . . . . . . . . . . . . . 4267 1 112 3JHNHA . 1 1 156 156 PHE H H 1 . . 1 1 156 156 PHE HA H 1 . 3.7 . . . . . . . . . . . . . . 4267 1 113 3JHNHA . 1 1 158 158 LYS H H 1 . . 1 1 158 158 LYS HA H 1 . 4.6 . . . . . . . . . . . . . . 4267 1 114 3JHNHA . 1 1 159 159 SER H H 1 . . 1 1 159 159 SER HA H 1 . 4.2 . . . . . . . . . . . . . . 4267 1 115 3JHNHA . 1 1 160 160 LEU H H 1 . . 1 1 160 160 LEU HA H 1 . 8.6 . . . . . . . . . . . . . . 4267 1 116 3JHNHA . 1 1 161 161 GLY H H 1 . . 1 1 161 161 GLY HA2 H 1 . 8.4 . . . . . . . . . . . . . . 4267 1 117 3JHNHA . 1 1 161 161 GLY H H 1 . . 1 1 161 161 GLY HA3 H 1 . 5.7 . . . . . . . . . . . . . . 4267 1 118 3JHNHA . 1 1 164 164 GLU H H 1 . . 1 1 164 164 GLU HA H 1 . 5.0 . . . . . . . . . . . . . . 4267 1 119 3JHNHA . 1 1 165 165 ASN H H 1 . . 1 1 165 165 ASN HA H 1 . 8.5 . . . . . . . . . . . . . . 4267 1 120 3JHNHA . 1 1 166 166 HIS H H 1 . . 1 1 166 166 HIS HA H 1 . 8.0 . . . . . . . . . . . . . . 4267 1 121 3JHNHA . 1 1 167 167 ILE H H 1 . . 1 1 167 167 ILE HA H 1 . 9.2 . . . . . . . . . . . . . . 4267 1 122 3JHNHA . 1 1 168 168 VAL H H 1 . . 1 1 168 168 VAL HA H 1 . 9.7 . . . . . . . . . . . . . . 4267 1 123 3JHNHA . 1 1 169 169 PHE H H 1 . . 1 1 169 169 PHE HA H 1 . 10.1 . . . . . . . . . . . . . . 4267 1 124 3JHNHA . 1 1 175 175 GLN H H 1 . . 1 1 175 175 GLN HA H 1 . 5.0 . . . . . . . . . . . . . . 4267 1 125 3JHNHA . 1 1 178 178 ASP H H 1 . . 1 1 178 178 ASP HA H 1 . 9.5 . . . . . . . . . . . . . . 4267 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_750_TRP_NE1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_750_TRP_NE1 _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 750 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 32 32 TRP HE1 H 1 . 1 1 32 32 TRP NE1 N 15 0.840 0.050 . . . . . . . . . . 4267 1 2 . 1 1 80 80 TRP HE1 H 1 . 1 1 80 80 TRP NE1 N 15 0.657 0.050 . . . . . . . . . . 4267 1 stop_ save_ save_heteronuclear_NOE_750_ARG_NE _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_750_ARG_NE _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 750 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 110 110 ARG HE H 1 . 1 1 110 110 ARG NE N 15 0.657 0.106 . . . . . . . . . . 4267 2 2 . 1 1 155 155 ARG HE H 1 . 1 1 155 155 ARG NE N 15 -0.712 0.077 . . . . . . . . . . 4267 2 stop_ save_ save_heteronuclear_NOE_750_other _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_750_other _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 750 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ASP H H 1 . 1 1 3 3 ASP N N 15 -0.256 0.050 . . . . . . . . . . 4267 3 2 . 1 1 4 4 SER H H 1 . 1 1 4 4 SER N N 15 0.024 0.050 . . . . . . . . . . 4267 3 3 . 1 1 5 5 THR H H 1 . 1 1 5 5 THR N N 15 0.268 0.050 . . . . . . . . . . 4267 3 4 . 1 1 6 6 SER H H 1 . 1 1 6 6 SER N N 15 0.290 0.050 . . . . . . . . . . 4267 3 5 . 1 1 7 7 ASP H H 1 . 1 1 7 7 ASP N N 15 0.410 0.050 . . . . . . . . . . 4267 3 6 . 1 1 8 8 LEU H H 1 . 1 1 8 8 LEU N N 15 0.437 0.050 . . . . . . . . . . 4267 3 7 . 1 1 9 9 ILE H H 1 . 1 1 9 9 ILE N N 15 0.719 0.050 . . . . . . . . . . 4267 3 8 . 1 1 11 11 ALA H H 1 . 1 1 11 11 ALA N N 15 0.788 0.050 . . . . . . . . . . 4267 3 9 . 1 1 14 14 LEU H H 1 . 1 1 14 14 LEU N N 15 0.778 0.050 . . . . . . . . . . 4267 3 10 . 1 1 15 15 SER H H 1 . 1 1 15 15 SER N N 15 0.840 0.050 . . . . . . . . . . 4267 3 11 . 1 1 16 16 LYS H H 1 . 1 1 16 16 LYS N N 15 0.840 0.050 . . . . . . . . . . 4267 3 12 . 1 1 17 17 VAL H H 1 . 1 1 17 17 VAL N N 15 0.817 0.050 . . . . . . . . . . 4267 3 13 . 1 1 19 19 LEU H H 1 . 1 1 19 19 LEU N N 15 0.817 0.050 . . . . . . . . . . 4267 3 14 . 1 1 20 20 GLN H H 1 . 1 1 20 20 GLN N N 15 0.837 0.050 . . . . . . . . . . 4267 3 15 . 1 1 21 21 GLN H H 1 . 1 1 21 21 GLN N N 15 0.804 0.050 . . . . . . . . . . 4267 3 16 . 1 1 22 22 ASN H H 1 . 1 1 22 22 ASN N N 15 0.816 0.050 . . . . . . . . . . 4267 3 17 . 1 1 23 23 PHE H H 1 . 1 1 23 23 PHE N N 15 0.813 0.050 . . . . . . . . . . 4267 3 18 . 1 1 24 24 GLN H H 1 . 1 1 24 24 GLN N N 15 0.860 0.050 . . . . . . . . . . 4267 3 19 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.845 0.050 . . . . . . . . . . 4267 3 20 . 1 1 26 26 ASN H H 1 . 1 1 26 26 ASN N N 15 0.859 0.050 . . . . . . . . . . 4267 3 21 . 1 1 27 27 GLN H H 1 . 1 1 27 27 GLN N N 15 0.821 0.050 . . . . . . . . . . 4267 3 22 . 1 1 28 28 PHE H H 1 . 1 1 28 28 PHE N N 15 0.861 0.050 . . . . . . . . . . 4267 3 23 . 1 1 29 29 GLN H H 1 . 1 1 29 29 GLN N N 15 0.839 0.050 . . . . . . . . . . 4267 3 24 . 1 1 30 30 GLY H H 1 . 1 1 30 30 GLY N N 15 0.876 0.050 . . . . . . . . . . 4267 3 25 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.830 0.050 . . . . . . . . . . 4267 3 26 . 1 1 32 32 TRP H H 1 . 1 1 32 32 TRP N N 15 0.844 0.050 . . . . . . . . . . 4267 3 27 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.868 0.050 . . . . . . . . . . 4267 3 28 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.808 0.050 . . . . . . . . . . 4267 3 29 . 1 1 35 35 VAL H H 1 . 1 1 35 35 VAL N N 15 0.866 0.059 . . . . . . . . . . 4267 3 30 . 1 1 36 36 GLY H H 1 . 1 1 36 36 GLY N N 15 0.855 0.050 . . . . . . . . . . 4267 3 31 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.824 0.050 . . . . . . . . . . 4267 3 32 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.863 0.050 . . . . . . . . . . 4267 3 33 . 1 1 39 39 GLY H H 1 . 1 1 39 39 GLY N N 15 0.852 0.050 . . . . . . . . . . 4267 3 34 . 1 1 40 40 ASN H H 1 . 1 1 40 40 ASN N N 15 0.864 0.050 . . . . . . . . . . 4267 3 35 . 1 1 41 41 ALA H H 1 . 1 1 41 41 ALA N N 15 0.861 0.050 . . . . . . . . . . 4267 3 36 . 1 1 42 42 ILE H H 1 . 1 1 42 42 ILE N N 15 0.775 0.050 . . . . . . . . . . 4267 3 37 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.828 0.050 . . . . . . . . . . 4267 3 38 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.492 0.064 . . . . . . . . . . 4267 3 39 . 1 1 48 48 ASP H H 1 . 1 1 48 48 ASP N N 15 0.462 0.054 . . . . . . . . . . 4267 3 40 . 1 1 52 52 MET H H 1 . 1 1 52 52 MET N N 15 0.849 0.086 . . . . . . . . . . 4267 3 41 . 1 1 53 53 TYR H H 1 . 1 1 53 53 TYR N N 15 0.845 0.087 . . . . . . . . . . 4267 3 42 . 1 1 54 54 ALA H H 1 . 1 1 54 54 ALA N N 15 0.809 0.050 . . . . . . . . . . 4267 3 43 . 1 1 55 55 THR H H 1 . 1 1 55 55 THR N N 15 0.849 0.050 . . . . . . . . . . 4267 3 44 . 1 1 56 56 ILE H H 1 . 1 1 56 56 ILE N N 15 0.870 0.055 . . . . . . . . . . 4267 3 45 . 1 1 57 57 TYR H H 1 . 1 1 57 57 TYR N N 15 0.875 0.050 . . . . . . . . . . 4267 3 46 . 1 1 58 58 GLU H H 1 . 1 1 58 58 GLU N N 15 0.823 0.050 . . . . . . . . . . 4267 3 47 . 1 1 60 60 LYS H H 1 . 1 1 60 60 LYS N N 15 0.828 0.050 . . . . . . . . . . 4267 3 48 . 1 1 61 61 GLU H H 1 . 1 1 61 61 GLU N N 15 0.799 0.050 . . . . . . . . . . 4267 3 49 . 1 1 62 62 ASP H H 1 . 1 1 62 62 ASP N N 15 0.800 0.050 . . . . . . . . . . 4267 3 50 . 1 1 63 63 LYS H H 1 . 1 1 63 63 LYS N N 15 0.821 0.050 . . . . . . . . . . 4267 3 51 . 1 1 64 64 SER H H 1 . 1 1 64 64 SER N N 15 0.812 0.050 . . . . . . . . . . 4267 3 52 . 1 1 65 65 TYR H H 1 . 1 1 65 65 TYR N N 15 0.843 0.050 . . . . . . . . . . 4267 3 53 . 1 1 66 66 ASN H H 1 . 1 1 66 66 ASN N N 15 0.844 0.050 . . . . . . . . . . 4267 3 54 . 1 1 67 67 VAL H H 1 . 1 1 67 67 VAL N N 15 0.814 0.050 . . . . . . . . . . 4267 3 55 . 1 1 68 68 THR H H 1 . 1 1 68 68 THR N N 15 0.889 0.050 . . . . . . . . . . 4267 3 56 . 1 1 69 69 SER H H 1 . 1 1 69 69 SER N N 15 0.783 0.052 . . . . . . . . . . 4267 3 57 . 1 1 71 71 LEU H H 1 . 1 1 71 71 LEU N N 15 0.811 0.050 . . . . . . . . . . 4267 3 58 . 1 1 74 74 LYS H H 1 . 1 1 74 74 LYS N N 15 0.762 0.060 . . . . . . . . . . 4267 3 59 . 1 1 75 75 LYS H H 1 . 1 1 75 75 LYS N N 15 0.707 0.050 . . . . . . . . . . 4267 3 60 . 1 1 76 76 LYS H H 1 . 1 1 76 76 LYS N N 15 0.702 0.050 . . . . . . . . . . 4267 3 61 . 1 1 77 77 CYS H H 1 . 1 1 77 77 CYS N N 15 0.692 0.050 . . . . . . . . . . 4267 3 62 . 1 1 78 78 ASP H H 1 . 1 1 78 78 ASP N N 15 0.777 0.050 . . . . . . . . . . 4267 3 63 . 1 1 79 79 TYR H H 1 . 1 1 79 79 TYR N N 15 0.815 0.050 . . . . . . . . . . 4267 3 64 . 1 1 80 80 TRP H H 1 . 1 1 80 80 TRP N N 15 0.822 0.050 . . . . . . . . . . 4267 3 65 . 1 1 82 82 ARG H H 1 . 1 1 82 82 ARG N N 15 0.807 0.050 . . . . . . . . . . 4267 3 66 . 1 1 83 83 THR H H 1 . 1 1 83 83 THR N N 15 0.813 0.050 . . . . . . . . . . 4267 3 67 . 1 1 84 84 PHE H H 1 . 1 1 84 84 PHE N N 15 0.858 0.050 . . . . . . . . . . 4267 3 68 . 1 1 87 87 GLY H H 1 . 1 1 87 87 GLY N N 15 0.806 0.050 . . . . . . . . . . 4267 3 69 . 1 1 88 88 CYS H H 1 . 1 1 88 88 CYS N N 15 0.826 0.050 . . . . . . . . . . 4267 3 70 . 1 1 89 89 GLN H H 1 . 1 1 89 89 GLN N N 15 0.613 0.050 . . . . . . . . . . 4267 3 71 . 1 1 92 92 GLU H H 1 . 1 1 92 92 GLU N N 15 0.829 0.050 . . . . . . . . . . 4267 3 72 . 1 1 93 93 PHE H H 1 . 1 1 93 93 PHE N N 15 0.829 0.050 . . . . . . . . . . 4267 3 73 . 1 1 94 94 THR H H 1 . 1 1 94 94 THR N N 15 0.824 0.050 . . . . . . . . . . 4267 3 74 . 1 1 95 95 LEU H H 1 . 1 1 95 95 LEU N N 15 0.773 0.050 . . . . . . . . . . 4267 3 75 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.823 0.050 . . . . . . . . . . 4267 3 76 . 1 1 97 97 ASN H H 1 . 1 1 97 97 ASN N N 15 0.813 0.050 . . . . . . . . . . 4267 3 77 . 1 1 98 98 ILE H H 1 . 1 1 98 98 ILE N N 15 0.833 0.050 . . . . . . . . . . 4267 3 78 . 1 1 99 99 LYS H H 1 . 1 1 99 99 LYS N N 15 0.799 0.050 . . . . . . . . . . 4267 3 79 . 1 1 100 100 SER H H 1 . 1 1 100 100 SER N N 15 0.786 0.050 . . . . . . . . . . 4267 3 80 . 1 1 101 101 TYR H H 1 . 1 1 101 101 TYR N N 15 0.787 0.050 . . . . . . . . . . 4267 3 81 . 1 1 103 103 GLY H H 1 . 1 1 103 103 GLY N N 15 0.725 0.050 . . . . . . . . . . 4267 3 82 . 1 1 104 104 LEU H H 1 . 1 1 104 104 LEU N N 15 0.800 0.050 . . . . . . . . . . 4267 3 83 . 1 1 105 105 THR H H 1 . 1 1 105 105 THR N N 15 0.751 0.050 . . . . . . . . . . 4267 3 84 . 1 1 106 106 SER H H 1 . 1 1 106 106 SER N N 15 0.795 0.050 . . . . . . . . . . 4267 3 85 . 1 1 107 107 TYR H H 1 . 1 1 107 107 TYR N N 15 0.860 0.050 . . . . . . . . . . 4267 3 86 . 1 1 108 108 LEU H H 1 . 1 1 108 108 LEU N N 15 0.852 0.050 . . . . . . . . . . 4267 3 87 . 1 1 109 109 VAL H H 1 . 1 1 109 109 VAL N N 15 0.851 0.050 . . . . . . . . . . 4267 3 88 . 1 1 110 110 ARG H H 1 . 1 1 110 110 ARG N N 15 0.876 0.050 . . . . . . . . . . 4267 3 89 . 1 1 112 112 VAL H H 1 . 1 1 112 112 VAL N N 15 0.868 0.050 . . . . . . . . . . 4267 3 90 . 1 1 113 113 SER H H 1 . 1 1 113 113 SER N N 15 0.858 0.050 . . . . . . . . . . 4267 3 91 . 1 1 114 114 THR H H 1 . 1 1 114 114 THR N N 15 0.840 0.050 . . . . . . . . . . 4267 3 92 . 1 1 115 115 ASN H H 1 . 1 1 115 115 ASN N N 15 0.861 0.050 . . . . . . . . . . 4267 3 93 . 1 1 116 116 TYR H H 1 . 1 1 116 116 TYR N N 15 0.916 0.051 . . . . . . . . . . 4267 3 94 . 1 1 117 117 ASN H H 1 . 1 1 117 117 ASN N N 15 0.889 0.050 . . . . . . . . . . 4267 3 95 . 1 1 118 118 GLN H H 1 . 1 1 118 118 GLN N N 15 0.876 0.050 . . . . . . . . . . 4267 3 96 . 1 1 119 119 HIS H H 1 . 1 1 119 119 HIS N N 15 0.840 0.050 . . . . . . . . . . 4267 3 97 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.879 0.050 . . . . . . . . . . 4267 3 98 . 1 1 122 122 VAL H H 1 . 1 1 122 122 VAL N N 15 0.914 0.050 . . . . . . . . . . 4267 3 99 . 1 1 123 123 PHE H H 1 . 1 1 123 123 PHE N N 15 0.887 0.050 . . . . . . . . . . 4267 3 100 . 1 1 124 124 PHE H H 1 . 1 1 124 124 PHE N N 15 0.873 0.050 . . . . . . . . . . 4267 3 101 . 1 1 125 125 LYS H H 1 . 1 1 125 125 LYS N N 15 0.830 0.050 . . . . . . . . . . 4267 3 102 . 1 1 127 127 VAL H H 1 . 1 1 127 127 VAL N N 15 0.879 0.050 . . . . . . . . . . 4267 3 103 . 1 1 128 128 SER H H 1 . 1 1 128 128 SER N N 15 0.812 0.050 . . . . . . . . . . 4267 3 104 . 1 1 129 129 GLN H H 1 . 1 1 129 129 GLN N N 15 0.749 0.050 . . . . . . . . . . 4267 3 105 . 1 1 130 130 ASN H H 1 . 1 1 130 130 ASN N N 15 0.756 0.050 . . . . . . . . . . 4267 3 106 . 1 1 131 131 ARG H H 1 . 1 1 131 131 ARG N N 15 0.755 0.050 . . . . . . . . . . 4267 3 107 . 1 1 132 132 GLU H H 1 . 1 1 132 132 GLU N N 15 0.759 0.050 . . . . . . . . . . 4267 3 108 . 1 1 133 133 TYR H H 1 . 1 1 133 133 TYR N N 15 0.781 0.050 . . . . . . . . . . 4267 3 109 . 1 1 134 134 PHE H H 1 . 1 1 134 134 PHE N N 15 0.806 0.050 . . . . . . . . . . 4267 3 110 . 1 1 135 135 LYS H H 1 . 1 1 135 135 LYS N N 15 0.846 0.050 . . . . . . . . . . 4267 3 111 . 1 1 136 136 ILE H H 1 . 1 1 136 136 ILE N N 15 0.840 0.050 . . . . . . . . . . 4267 3 112 . 1 1 137 137 THR H H 1 . 1 1 137 137 THR N N 15 0.852 0.050 . . . . . . . . . . 4267 3 113 . 1 1 138 138 LEU H H 1 . 1 1 138 138 LEU N N 15 0.850 0.050 . . . . . . . . . . 4267 3 114 . 1 1 139 139 TYR H H 1 . 1 1 139 139 TYR N N 15 0.870 0.050 . . . . . . . . . . 4267 3 115 . 1 1 140 140 GLY H H 1 . 1 1 140 140 GLY N N 15 0.854 0.050 . . . . . . . . . . 4267 3 116 . 1 1 141 141 ARG H H 1 . 1 1 141 141 ARG N N 15 0.824 0.050 . . . . . . . . . . 4267 3 117 . 1 1 142 142 THR H H 1 . 1 1 142 142 THR N N 15 0.847 0.050 . . . . . . . . . . 4267 3 118 . 1 1 143 143 LYS H H 1 . 1 1 143 143 LYS N N 15 0.865 0.050 . . . . . . . . . . 4267 3 119 . 1 1 144 144 GLU H H 1 . 1 1 144 144 GLU N N 15 0.726 0.050 . . . . . . . . . . 4267 3 120 . 1 1 145 145 LEU H H 1 . 1 1 145 145 LEU N N 15 0.665 0.050 . . . . . . . . . . 4267 3 121 . 1 1 146 146 THR H H 1 . 1 1 146 146 THR N N 15 0.712 0.050 . . . . . . . . . . 4267 3 122 . 1 1 147 147 SER H H 1 . 1 1 147 147 SER N N 15 0.832 0.050 . . . . . . . . . . 4267 3 123 . 1 1 148 148 GLU H H 1 . 1 1 148 148 GLU N N 15 0.829 0.050 . . . . . . . . . . 4267 3 124 . 1 1 150 150 LYS H H 1 . 1 1 150 150 LYS N N 15 0.756 0.050 . . . . . . . . . . 4267 3 125 . 1 1 151 151 GLU H H 1 . 1 1 151 151 GLU N N 15 0.843 0.050 . . . . . . . . . . 4267 3 126 . 1 1 152 152 ASN H H 1 . 1 1 152 152 ASN N N 15 0.872 0.050 . . . . . . . . . . 4267 3 127 . 1 1 153 153 PHE H H 1 . 1 1 153 153 PHE N N 15 0.822 0.050 . . . . . . . . . . 4267 3 128 . 1 1 154 154 ILE H H 1 . 1 1 154 154 ILE N N 15 0.830 0.050 . . . . . . . . . . 4267 3 129 . 1 1 155 155 ARG H H 1 . 1 1 155 155 ARG N N 15 0.861 0.050 . . . . . . . . . . 4267 3 130 . 1 1 156 156 PHE H H 1 . 1 1 156 156 PHE N N 15 0.874 0.050 . . . . . . . . . . 4267 3 131 . 1 1 157 157 SER H H 1 . 1 1 157 157 SER N N 15 0.779 0.050 . . . . . . . . . . 4267 3 132 . 1 1 158 158 LYS H H 1 . 1 1 158 158 LYS N N 15 0.831 0.050 . . . . . . . . . . 4267 3 133 . 1 1 159 159 SER H H 1 . 1 1 159 159 SER N N 15 0.890 0.050 . . . . . . . . . . 4267 3 134 . 1 1 160 160 LEU H H 1 . 1 1 160 160 LEU N N 15 0.837 0.050 . . . . . . . . . . 4267 3 135 . 1 1 161 161 GLY H H 1 . 1 1 161 161 GLY N N 15 0.828 0.050 . . . . . . . . . . 4267 3 136 . 1 1 162 162 LEU H H 1 . 1 1 162 162 LEU N N 15 0.842 0.050 . . . . . . . . . . 4267 3 137 . 1 1 165 165 ASN H H 1 . 1 1 165 165 ASN N N 15 0.801 0.050 . . . . . . . . . . 4267 3 138 . 1 1 167 167 ILE H H 1 . 1 1 167 167 ILE N N 15 0.844 0.050 . . . . . . . . . . 4267 3 139 . 1 1 168 168 VAL H H 1 . 1 1 168 168 VAL N N 15 0.805 0.050 . . . . . . . . . . 4267 3 140 . 1 1 169 169 PHE H H 1 . 1 1 169 169 PHE N N 15 0.836 0.050 . . . . . . . . . . 4267 3 141 . 1 1 171 171 VAL H H 1 . 1 1 171 171 VAL N N 15 0.829 0.050 . . . . . . . . . . 4267 3 142 . 1 1 173 173 ILE H H 1 . 1 1 173 173 ILE N N 15 0.847 0.155 . . . . . . . . . . 4267 3 143 . 1 1 175 175 GLN H H 1 . 1 1 175 175 GLN N N 15 0.558 0.050 . . . . . . . . . . 4267 3 144 . 1 1 176 176 CYS H H 1 . 1 1 176 176 CYS N N 15 0.830 0.060 . . . . . . . . . . 4267 3 145 . 1 1 178 178 ASP H H 1 . 1 1 178 178 ASP N N 15 0.707 0.050 . . . . . . . . . . 4267 3 146 . 1 1 179 179 GLY H H 1 . 1 1 179 179 GLY N N 15 0.234 0.050 . . . . . . . . . . 4267 3 stop_ save_ save_heteronuclear_NOE_600_TRP_NE1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_TRP_NE1 _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 32 32 TRP HE1 H 1 . 1 1 32 32 TRP NE1 N 15 0.868 0.050 . . . . . . . . . . 4267 4 2 . 1 1 80 80 TRP HE1 H 1 . 1 1 80 80 TRP NE1 N 15 0.645 0.050 . . . . . . . . . . 4267 4 stop_ save_ save_heteronuclear_NOE_600_ARG_NE _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_ARG_NE _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 5 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 110 110 ARG HE H 1 . 1 1 110 110 ARG NE N 15 0.572 0.111 . . . . . . . . . . 4267 5 2 . 1 1 141 141 ARG HE H 1 . 1 1 141 141 ARG NE N 15 0.634 0.065 . . . . . . . . . . 4267 5 3 . 1 1 155 155 ARG HE H 1 . 1 1 155 155 ARG NE N 15 -1.115 0.094 . . . . . . . . . . 4267 5 stop_ save_ save_heteronuclear_NOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600 _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 6 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ASP H H 1 . 1 1 3 3 ASP N N 15 -0.952 0.050 . . . . . . . . . . 4267 6 2 . 1 1 4 4 SER H H 1 . 1 1 4 4 SER N N 15 -0.086 0.050 . . . . . . . . . . 4267 6 3 . 1 1 5 5 THR H H 1 . 1 1 5 5 THR N N 15 0.176 0.050 . . . . . . . . . . 4267 6 4 . 1 1 6 6 SER H H 1 . 1 1 6 6 SER N N 15 -0.115 0.050 . . . . . . . . . . 4267 6 5 . 1 1 7 7 ASP H H 1 . 1 1 7 7 ASP N N 15 0.062 0.050 . . . . . . . . . . 4267 6 6 . 1 1 8 8 LEU H H 1 . 1 1 8 8 LEU N N 15 0.493 0.050 . . . . . . . . . . 4267 6 7 . 1 1 9 9 ILE H H 1 . 1 1 9 9 ILE N N 15 0.706 0.050 . . . . . . . . . . 4267 6 8 . 1 1 11 11 ALA H H 1 . 1 1 11 11 ALA N N 15 0.839 0.050 . . . . . . . . . . 4267 6 9 . 1 1 14 14 LEU H H 1 . 1 1 14 14 LEU N N 15 0.777 0.050 . . . . . . . . . . 4267 6 10 . 1 1 15 15 SER H H 1 . 1 1 15 15 SER N N 15 0.790 0.050 . . . . . . . . . . 4267 6 11 . 1 1 16 16 LYS H H 1 . 1 1 16 16 LYS N N 15 0.702 0.050 . . . . . . . . . . 4267 6 12 . 1 1 17 17 VAL H H 1 . 1 1 17 17 VAL N N 15 0.812 0.050 . . . . . . . . . . 4267 6 13 . 1 1 19 19 LEU H H 1 . 1 1 19 19 LEU N N 15 0.784 0.050 . . . . . . . . . . 4267 6 14 . 1 1 20 20 GLN H H 1 . 1 1 20 20 GLN N N 15 0.752 0.050 . . . . . . . . . . 4267 6 15 . 1 1 21 21 GLN H H 1 . 1 1 21 21 GLN N N 15 0.737 0.050 . . . . . . . . . . 4267 6 16 . 1 1 22 22 ASN H H 1 . 1 1 22 22 ASN N N 15 0.725 0.050 . . . . . . . . . . 4267 6 17 . 1 1 23 23 PHE H H 1 . 1 1 23 23 PHE N N 15 0.831 0.050 . . . . . . . . . . 4267 6 18 . 1 1 24 24 GLN H H 1 . 1 1 24 24 GLN N N 15 0.724 0.054 . . . . . . . . . . 4267 6 19 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.837 0.050 . . . . . . . . . . 4267 6 20 . 1 1 26 26 ASN H H 1 . 1 1 26 26 ASN N N 15 0.807 0.050 . . . . . . . . . . 4267 6 21 . 1 1 27 27 GLN H H 1 . 1 1 27 27 GLN N N 15 0.763 0.050 . . . . . . . . . . 4267 6 22 . 1 1 28 28 PHE H H 1 . 1 1 28 28 PHE N N 15 0.858 0.050 . . . . . . . . . . 4267 6 23 . 1 1 29 29 GLN H H 1 . 1 1 29 29 GLN N N 15 0.784 0.050 . . . . . . . . . . 4267 6 24 . 1 1 30 30 GLY H H 1 . 1 1 30 30 GLY N N 15 0.778 0.052 . . . . . . . . . . 4267 6 25 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.743 0.050 . . . . . . . . . . 4267 6 26 . 1 1 32 32 TRP H H 1 . 1 1 32 32 TRP N N 15 0.824 0.054 . . . . . . . . . . 4267 6 27 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.842 0.051 . . . . . . . . . . 4267 6 28 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.864 0.065 . . . . . . . . . . 4267 6 29 . 1 1 35 35 VAL H H 1 . 1 1 35 35 VAL N N 15 0.869 0.093 . . . . . . . . . . 4267 6 30 . 1 1 36 36 GLY H H 1 . 1 1 36 36 GLY N N 15 0.807 0.055 . . . . . . . . . . 4267 6 31 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.791 0.050 . . . . . . . . . . 4267 6 32 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.916 0.050 . . . . . . . . . . 4267 6 33 . 1 1 39 39 GLY H H 1 . 1 1 39 39 GLY N N 15 0.769 0.050 . . . . . . . . . . 4267 6 34 . 1 1 40 40 ASN H H 1 . 1 1 40 40 ASN N N 15 0.832 0.050 . . . . . . . . . . 4267 6 35 . 1 1 41 41 ALA H H 1 . 1 1 41 41 ALA N N 15 0.849 0.054 . . . . . . . . . . 4267 6 36 . 1 1 42 42 ILE H H 1 . 1 1 42 42 ILE N N 15 0.808 0.052 . . . . . . . . . . 4267 6 37 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.649 0.050 . . . . . . . . . . 4267 6 38 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.537 0.070 . . . . . . . . . . 4267 6 39 . 1 1 48 48 ASP H H 1 . 1 1 48 48 ASP N N 15 0.407 0.057 . . . . . . . . . . 4267 6 40 . 1 1 52 52 MET H H 1 . 1 1 52 52 MET N N 15 0.879 0.107 . . . . . . . . . . 4267 6 41 . 1 1 53 53 TYR H H 1 . 1 1 53 53 TYR N N 15 0.849 0.139 . . . . . . . . . . 4267 6 42 . 1 1 54 54 ALA H H 1 . 1 1 54 54 ALA N N 15 0.807 0.058 . . . . . . . . . . 4267 6 43 . 1 1 55 55 THR H H 1 . 1 1 55 55 THR N N 15 0.803 0.050 . . . . . . . . . . 4267 6 44 . 1 1 56 56 ILE H H 1 . 1 1 56 56 ILE N N 15 0.788 0.076 . . . . . . . . . . 4267 6 45 . 1 1 57 57 TYR H H 1 . 1 1 57 57 TYR N N 15 0.901 0.058 . . . . . . . . . . 4267 6 46 . 1 1 58 58 GLU H H 1 . 1 1 58 58 GLU N N 15 0.861 0.050 . . . . . . . . . . 4267 6 47 . 1 1 60 60 LYS H H 1 . 1 1 60 60 LYS N N 15 0.839 0.050 . . . . . . . . . . 4267 6 48 . 1 1 61 61 GLU H H 1 . 1 1 61 61 GLU N N 15 0.822 0.050 . . . . . . . . . . 4267 6 49 . 1 1 62 62 ASP H H 1 . 1 1 62 62 ASP N N 15 0.775 0.050 . . . . . . . . . . 4267 6 50 . 1 1 63 63 LYS H H 1 . 1 1 63 63 LYS N N 15 0.778 0.050 . . . . . . . . . . 4267 6 51 . 1 1 64 64 SER H H 1 . 1 1 64 64 SER N N 15 0.757 0.050 . . . . . . . . . . 4267 6 52 . 1 1 65 65 TYR H H 1 . 1 1 65 65 TYR N N 15 0.790 0.050 . . . . . . . . . . 4267 6 53 . 1 1 66 66 ASN H H 1 . 1 1 66 66 ASN N N 15 0.880 0.050 . . . . . . . . . . 4267 6 54 . 1 1 67 67 VAL H H 1 . 1 1 67 67 VAL N N 15 0.851 0.050 . . . . . . . . . . 4267 6 55 . 1 1 68 68 THR H H 1 . 1 1 68 68 THR N N 15 0.951 0.066 . . . . . . . . . . 4267 6 56 . 1 1 69 69 SER H H 1 . 1 1 69 69 SER N N 15 0.930 0.084 . . . . . . . . . . 4267 6 57 . 1 1 71 71 LEU H H 1 . 1 1 71 71 LEU N N 15 0.818 0.062 . . . . . . . . . . 4267 6 58 . 1 1 73 73 ARG H H 1 . 1 1 73 73 ARG N N 15 0.724 0.050 . . . . . . . . . . 4267 6 59 . 1 1 74 74 LYS H H 1 . 1 1 74 74 LYS N N 15 0.658 0.063 . . . . . . . . . . 4267 6 60 . 1 1 75 75 LYS H H 1 . 1 1 75 75 LYS N N 15 0.607 0.050 . . . . . . . . . . 4267 6 61 . 1 1 76 76 LYS H H 1 . 1 1 76 76 LYS N N 15 0.617 0.050 . . . . . . . . . . 4267 6 62 . 1 1 77 77 CYS H H 1 . 1 1 77 77 CYS N N 15 0.758 0.050 . . . . . . . . . . 4267 6 63 . 1 1 78 78 ASP H H 1 . 1 1 78 78 ASP N N 15 0.774 0.054 . . . . . . . . . . 4267 6 64 . 1 1 79 79 TYR H H 1 . 1 1 79 79 TYR N N 15 0.767 0.050 . . . . . . . . . . 4267 6 65 . 1 1 80 80 TRP H H 1 . 1 1 80 80 TRP N N 15 0.852 0.056 . . . . . . . . . . 4267 6 66 . 1 1 82 82 ARG H H 1 . 1 1 82 82 ARG N N 15 0.832 0.069 . . . . . . . . . . 4267 6 67 . 1 1 83 83 THR H H 1 . 1 1 83 83 THR N N 15 0.762 0.050 . . . . . . . . . . 4267 6 68 . 1 1 84 84 PHE H H 1 . 1 1 84 84 PHE N N 15 0.805 0.054 . . . . . . . . . . 4267 6 69 . 1 1 87 87 GLY H H 1 . 1 1 87 87 GLY N N 15 0.740 0.066 . . . . . . . . . . 4267 6 70 . 1 1 88 88 CYS H H 1 . 1 1 88 88 CYS N N 15 0.772 0.050 . . . . . . . . . . 4267 6 71 . 1 1 89 89 GLN H H 1 . 1 1 89 89 GLN N N 15 0.635 0.050 . . . . . . . . . . 4267 6 72 . 1 1 92 92 GLU H H 1 . 1 1 92 92 GLU N N 15 0.759 0.050 . . . . . . . . . . 4267 6 73 . 1 1 93 93 PHE H H 1 . 1 1 93 93 PHE N N 15 0.676 0.050 . . . . . . . . . . 4267 6 74 . 1 1 94 94 THR H H 1 . 1 1 94 94 THR N N 15 0.750 0.050 . . . . . . . . . . 4267 6 75 . 1 1 95 95 LEU H H 1 . 1 1 95 95 LEU N N 15 0.869 0.057 . . . . . . . . . . 4267 6 76 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.833 0.078 . . . . . . . . . . 4267 6 77 . 1 1 97 97 ASN H H 1 . 1 1 97 97 ASN N N 15 0.756 0.050 . . . . . . . . . . 4267 6 78 . 1 1 98 98 ILE H H 1 . 1 1 98 98 ILE N N 15 0.849 0.050 . . . . . . . . . . 4267 6 79 . 1 1 99 99 LYS H H 1 . 1 1 99 99 LYS N N 15 0.718 0.050 . . . . . . . . . . 4267 6 80 . 1 1 100 100 SER H H 1 . 1 1 100 100 SER N N 15 0.773 0.050 . . . . . . . . . . 4267 6 81 . 1 1 101 101 TYR H H 1 . 1 1 101 101 TYR N N 15 0.699 0.050 . . . . . . . . . . 4267 6 82 . 1 1 103 103 GLY H H 1 . 1 1 103 103 GLY N N 15 0.588 0.050 . . . . . . . . . . 4267 6 83 . 1 1 104 104 LEU H H 1 . 1 1 104 104 LEU N N 15 0.661 0.050 . . . . . . . . . . 4267 6 84 . 1 1 105 105 THR H H 1 . 1 1 105 105 THR N N 15 0.722 0.057 . . . . . . . . . . 4267 6 85 . 1 1 106 106 SER H H 1 . 1 1 106 106 SER N N 15 0.867 0.050 . . . . . . . . . . 4267 6 86 . 1 1 107 107 TYR H H 1 . 1 1 107 107 TYR N N 15 0.787 0.050 . . . . . . . . . . 4267 6 87 . 1 1 108 108 LEU H H 1 . 1 1 108 108 LEU N N 15 0.806 0.053 . . . . . . . . . . 4267 6 88 . 1 1 109 109 VAL H H 1 . 1 1 109 109 VAL N N 15 0.793 0.052 . . . . . . . . . . 4267 6 89 . 1 1 110 110 ARG H H 1 . 1 1 110 110 ARG N N 15 0.858 0.050 . . . . . . . . . . 4267 6 90 . 1 1 112 112 VAL H H 1 . 1 1 112 112 VAL N N 15 0.822 0.064 . . . . . . . . . . 4267 6 91 . 1 1 113 113 SER H H 1 . 1 1 113 113 SER N N 15 0.841 0.050 . . . . . . . . . . 4267 6 92 . 1 1 115 115 ASN H H 1 . 1 1 115 115 ASN N N 15 0.900 0.054 . . . . . . . . . . 4267 6 93 . 1 1 116 116 TYR H H 1 . 1 1 116 116 TYR N N 15 0.839 0.074 . . . . . . . . . . 4267 6 94 . 1 1 117 117 ASN H H 1 . 1 1 117 117 ASN N N 15 0.868 0.050 . . . . . . . . . . 4267 6 95 . 1 1 118 118 GLN H H 1 . 1 1 118 118 GLN N N 15 0.874 0.050 . . . . . . . . . . 4267 6 96 . 1 1 119 119 HIS H H 1 . 1 1 119 119 HIS N N 15 0.872 0.050 . . . . . . . . . . 4267 6 97 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.779 0.050 . . . . . . . . . . 4267 6 98 . 1 1 122 122 VAL H H 1 . 1 1 122 122 VAL N N 15 0.819 0.060 . . . . . . . . . . 4267 6 99 . 1 1 123 123 PHE H H 1 . 1 1 123 123 PHE N N 15 0.901 0.073 . . . . . . . . . . 4267 6 100 . 1 1 124 124 PHE H H 1 . 1 1 124 124 PHE N N 15 0.803 0.050 . . . . . . . . . . 4267 6 101 . 1 1 125 125 LYS H H 1 . 1 1 125 125 LYS N N 15 0.763 0.050 . . . . . . . . . . 4267 6 102 . 1 1 127 127 VAL H H 1 . 1 1 127 127 VAL N N 15 0.727 0.053 . . . . . . . . . . 4267 6 103 . 1 1 128 128 SER H H 1 . 1 1 128 128 SER N N 15 0.709 0.050 . . . . . . . . . . 4267 6 104 . 1 1 129 129 GLN H H 1 . 1 1 129 129 GLN N N 15 0.759 0.050 . . . . . . . . . . 4267 6 105 . 1 1 130 130 ASN H H 1 . 1 1 130 130 ASN N N 15 0.732 0.050 . . . . . . . . . . 4267 6 106 . 1 1 131 131 ARG H H 1 . 1 1 131 131 ARG N N 15 0.631 0.050 . . . . . . . . . . 4267 6 107 . 1 1 132 132 GLU H H 1 . 1 1 132 132 GLU N N 15 0.798 0.050 . . . . . . . . . . 4267 6 108 . 1 1 133 133 TYR H H 1 . 1 1 133 133 TYR N N 15 0.811 0.058 . . . . . . . . . . 4267 6 109 . 1 1 134 134 PHE H H 1 . 1 1 134 134 PHE N N 15 0.726 0.050 . . . . . . . . . . 4267 6 110 . 1 1 135 135 LYS H H 1 . 1 1 135 135 LYS N N 15 0.716 0.050 . . . . . . . . . . 4267 6 111 . 1 1 136 136 ILE H H 1 . 1 1 136 136 ILE N N 15 0.725 0.051 . . . . . . . . . . 4267 6 112 . 1 1 137 137 THR H H 1 . 1 1 137 137 THR N N 15 0.729 0.065 . . . . . . . . . . 4267 6 113 . 1 1 138 138 LEU H H 1 . 1 1 138 138 LEU N N 15 0.831 0.053 . . . . . . . . . . 4267 6 114 . 1 1 139 139 TYR H H 1 . 1 1 139 139 TYR N N 15 0.823 0.053 . . . . . . . . . . 4267 6 115 . 1 1 140 140 GLY H H 1 . 1 1 140 140 GLY N N 15 0.835 0.059 . . . . . . . . . . 4267 6 116 . 1 1 141 141 ARG H H 1 . 1 1 141 141 ARG N N 15 0.776 0.052 . . . . . . . . . . 4267 6 117 . 1 1 142 142 THR H H 1 . 1 1 142 142 THR N N 15 0.758 0.050 . . . . . . . . . . 4267 6 118 . 1 1 143 143 LYS H H 1 . 1 1 143 143 LYS N N 15 0.861 0.055 . . . . . . . . . . 4267 6 119 . 1 1 144 144 GLU H H 1 . 1 1 144 144 GLU N N 15 0.688 0.050 . . . . . . . . . . 4267 6 120 . 1 1 145 145 LEU H H 1 . 1 1 145 145 LEU N N 15 0.600 0.100 . . . . . . . . . . 4267 6 121 . 1 1 146 146 THR H H 1 . 1 1 146 146 THR N N 15 0.721 0.050 . . . . . . . . . . 4267 6 122 . 1 1 147 147 SER H H 1 . 1 1 147 147 SER N N 15 0.791 0.050 . . . . . . . . . . 4267 6 123 . 1 1 148 148 GLU H H 1 . 1 1 148 148 GLU N N 15 0.939 0.050 . . . . . . . . . . 4267 6 124 . 1 1 150 150 LYS H H 1 . 1 1 150 150 LYS N N 15 0.786 0.050 . . . . . . . . . . 4267 6 125 . 1 1 151 151 GLU H H 1 . 1 1 151 151 GLU N N 15 0.881 0.050 . . . . . . . . . . 4267 6 126 . 1 1 152 152 ASN H H 1 . 1 1 152 152 ASN N N 15 0.782 0.050 . . . . . . . . . . 4267 6 127 . 1 1 153 153 PHE H H 1 . 1 1 153 153 PHE N N 15 0.881 0.050 . . . . . . . . . . 4267 6 128 . 1 1 154 154 ILE H H 1 . 1 1 154 154 ILE N N 15 0.867 0.050 . . . . . . . . . . 4267 6 129 . 1 1 155 155 ARG H H 1 . 1 1 155 155 ARG N N 15 0.910 0.050 . . . . . . . . . . 4267 6 130 . 1 1 156 156 PHE H H 1 . 1 1 156 156 PHE N N 15 0.764 0.050 . . . . . . . . . . 4267 6 131 . 1 1 157 157 SER H H 1 . 1 1 157 157 SER N N 15 0.820 0.050 . . . . . . . . . . 4267 6 132 . 1 1 158 158 LYS H H 1 . 1 1 158 158 LYS N N 15 0.783 0.050 . . . . . . . . . . 4267 6 133 . 1 1 159 159 SER H H 1 . 1 1 159 159 SER N N 15 0.893 0.050 . . . . . . . . . . 4267 6 134 . 1 1 160 160 LEU H H 1 . 1 1 160 160 LEU N N 15 0.821 0.050 . . . . . . . . . . 4267 6 135 . 1 1 161 161 GLY H H 1 . 1 1 161 161 GLY N N 15 0.904 0.050 . . . . . . . . . . 4267 6 136 . 1 1 162 162 LEU H H 1 . 1 1 162 162 LEU N N 15 0.833 0.050 . . . . . . . . . . 4267 6 137 . 1 1 165 165 ASN H H 1 . 1 1 165 165 ASN N N 15 0.776 0.050 . . . . . . . . . . 4267 6 138 . 1 1 167 167 ILE H H 1 . 1 1 167 167 ILE N N 15 0.846 0.050 . . . . . . . . . . 4267 6 139 . 1 1 168 168 VAL H H 1 . 1 1 168 168 VAL N N 15 0.747 0.050 . . . . . . . . . . 4267 6 140 . 1 1 169 169 PHE H H 1 . 1 1 169 169 PHE N N 15 0.702 0.050 . . . . . . . . . . 4267 6 141 . 1 1 171 171 VAL H H 1 . 1 1 171 171 VAL N N 15 0.737 0.050 . . . . . . . . . . 4267 6 142 . 1 1 173 173 ILE H H 1 . 1 1 173 173 ILE N N 15 0.992 0.221 . . . . . . . . . . 4267 6 143 . 1 1 175 175 GLN H H 1 . 1 1 175 175 GLN N N 15 0.617 0.061 . . . . . . . . . . 4267 6 144 . 1 1 176 176 CYS H H 1 . 1 1 176 176 CYS N N 15 0.871 0.084 . . . . . . . . . . 4267 6 145 . 1 1 178 178 ASP H H 1 . 1 1 178 178 ASP N N 15 0.682 0.050 . . . . . . . . . . 4267 6 146 . 1 1 179 179 GLY H H 1 . 1 1 179 179 GLY N N 15 -0.145 0.050 . . . . . . . . . . 4267 6 stop_ save_ save_heteronuclear_NOE_500_TRP_NE1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_TRP_NE1 _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 7 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 32 32 TRP HE1 H 1 . 1 1 32 32 TRP NE1 N 15 0.841 0.050 . . . . . . . . . . 4267 7 2 . 1 1 80 80 TRP HE1 H 1 . 1 1 80 80 TRP NE1 N 15 0.576 0.050 . . . . . . . . . . 4267 7 stop_ save_ save_heteronuclear_NOE_500_ARG_NE _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_ARG_NE _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 8 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 110 110 ARG HE H 1 . 1 1 110 110 ARG NE N 15 0.652 0.102 . . . . . . . . . . 4267 8 2 . 1 1 141 141 ARG HE H 1 . 1 1 141 141 ARG NE N 15 0.766 0.080 . . . . . . . . . . 4267 8 stop_ save_ save_heteronuclear_NOE_500 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500 _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 9 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 500 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 SER H H 1 . 1 1 4 4 SER N N 15 -0.651 0.183 . . . . . . . . . . 4267 9 2 . 1 1 5 5 THR H H 1 . 1 1 5 5 THR N N 15 -0.354 0.087 . . . . . . . . . . 4267 9 3 . 1 1 6 6 SER H H 1 . 1 1 6 6 SER N N 15 -0.052 0.052 . . . . . . . . . . 4267 9 4 . 1 1 7 7 ASP H H 1 . 1 1 7 7 ASP N N 15 0.112 0.050 . . . . . . . . . . 4267 9 5 . 1 1 8 8 LEU H H 1 . 1 1 8 8 LEU N N 15 0.310 0.050 . . . . . . . . . . 4267 9 6 . 1 1 9 9 ILE H H 1 . 1 1 9 9 ILE N N 15 0.627 0.064 . . . . . . . . . . 4267 9 7 . 1 1 11 11 ALA H H 1 . 1 1 11 11 ALA N N 15 0.740 0.050 . . . . . . . . . . 4267 9 8 . 1 1 14 14 LEU H H 1 . 1 1 14 14 LEU N N 15 0.722 0.050 . . . . . . . . . . 4267 9 9 . 1 1 15 15 SER H H 1 . 1 1 15 15 SER N N 15 0.775 0.050 . . . . . . . . . . 4267 9 10 . 1 1 16 16 LYS H H 1 . 1 1 16 16 LYS N N 15 0.758 0.050 . . . . . . . . . . 4267 9 11 . 1 1 17 17 VAL H H 1 . 1 1 17 17 VAL N N 15 0.807 0.050 . . . . . . . . . . 4267 9 12 . 1 1 19 19 LEU H H 1 . 1 1 19 19 LEU N N 15 0.753 0.050 . . . . . . . . . . 4267 9 13 . 1 1 20 20 GLN H H 1 . 1 1 20 20 GLN N N 15 0.850 0.056 . . . . . . . . . . 4267 9 14 . 1 1 21 21 GLN H H 1 . 1 1 21 21 GLN N N 15 0.799 0.050 . . . . . . . . . . 4267 9 15 . 1 1 23 23 PHE H H 1 . 1 1 23 23 PHE N N 15 0.774 0.050 . . . . . . . . . . 4267 9 16 . 1 1 24 24 GLN H H 1 . 1 1 24 24 GLN N N 15 0.793 0.064 . . . . . . . . . . 4267 9 17 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.830 0.050 . . . . . . . . . . 4267 9 18 . 1 1 26 26 ASN H H 1 . 1 1 26 26 ASN N N 15 0.838 0.050 . . . . . . . . . . 4267 9 19 . 1 1 27 27 GLN H H 1 . 1 1 27 27 GLN N N 15 0.770 0.050 . . . . . . . . . . 4267 9 20 . 1 1 28 28 PHE H H 1 . 1 1 28 28 PHE N N 15 0.809 0.050 . . . . . . . . . . 4267 9 21 . 1 1 29 29 GLN H H 1 . 1 1 29 29 GLN N N 15 0.749 0.050 . . . . . . . . . . 4267 9 22 . 1 1 30 30 GLY H H 1 . 1 1 30 30 GLY N N 15 0.863 0.064 . . . . . . . . . . 4267 9 23 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.865 0.050 . . . . . . . . . . 4267 9 24 . 1 1 32 32 TRP H H 1 . 1 1 32 32 TRP N N 15 0.813 0.056 . . . . . . . . . . 4267 9 25 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.807 0.061 . . . . . . . . . . 4267 9 26 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.813 0.074 . . . . . . . . . . 4267 9 27 . 1 1 35 35 VAL H H 1 . 1 1 35 35 VAL N N 15 0.798 0.104 . . . . . . . . . . 4267 9 28 . 1 1 36 36 GLY H H 1 . 1 1 36 36 GLY N N 15 0.812 0.059 . . . . . . . . . . 4267 9 29 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.802 0.055 . . . . . . . . . . 4267 9 30 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.779 0.051 . . . . . . . . . . 4267 9 31 . 1 1 39 39 GLY H H 1 . 1 1 39 39 GLY N N 15 0.708 0.064 . . . . . . . . . . 4267 9 32 . 1 1 40 40 ASN H H 1 . 1 1 40 40 ASN N N 15 0.853 0.066 . . . . . . . . . . 4267 9 33 . 1 1 41 41 ALA H H 1 . 1 1 41 41 ALA N N 15 0.734 0.089 . . . . . . . . . . 4267 9 34 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.709 0.136 . . . . . . . . . . 4267 9 35 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.452 0.122 . . . . . . . . . . 4267 9 36 . 1 1 48 48 ASP H H 1 . 1 1 48 48 ASP N N 15 0.774 0.065 . . . . . . . . . . 4267 9 37 . 1 1 52 52 MET H H 1 . 1 1 52 52 MET N N 15 0.716 0.130 . . . . . . . . . . 4267 9 38 . 1 1 53 53 TYR H H 1 . 1 1 53 53 TYR N N 15 0.637 0.140 . . . . . . . . . . 4267 9 39 . 1 1 54 54 ALA H H 1 . 1 1 54 54 ALA N N 15 0.842 0.067 . . . . . . . . . . 4267 9 40 . 1 1 55 55 THR H H 1 . 1 1 55 55 THR N N 15 0.856 0.072 . . . . . . . . . . 4267 9 41 . 1 1 56 56 ILE H H 1 . 1 1 56 56 ILE N N 15 0.813 0.100 . . . . . . . . . . 4267 9 42 . 1 1 57 57 TYR H H 1 . 1 1 57 57 TYR N N 15 0.753 0.064 . . . . . . . . . . 4267 9 43 . 1 1 58 58 GLU H H 1 . 1 1 58 58 GLU N N 15 0.828 0.050 . . . . . . . . . . 4267 9 44 . 1 1 60 60 LYS H H 1 . 1 1 60 60 LYS N N 15 0.747 0.055 . . . . . . . . . . 4267 9 45 . 1 1 61 61 GLU H H 1 . 1 1 61 61 GLU N N 15 0.728 0.065 . . . . . . . . . . 4267 9 46 . 1 1 62 62 ASP H H 1 . 1 1 62 62 ASP N N 15 0.758 0.050 . . . . . . . . . . 4267 9 47 . 1 1 63 63 LYS H H 1 . 1 1 63 63 LYS N N 15 0.772 0.050 . . . . . . . . . . 4267 9 48 . 1 1 64 64 SER H H 1 . 1 1 64 64 SER N N 15 0.739 0.050 . . . . . . . . . . 4267 9 49 . 1 1 65 65 TYR H H 1 . 1 1 65 65 TYR N N 15 0.776 0.054 . . . . . . . . . . 4267 9 50 . 1 1 66 66 ASN H H 1 . 1 1 66 66 ASN N N 15 0.883 0.061 . . . . . . . . . . 4267 9 51 . 1 1 67 67 VAL H H 1 . 1 1 67 67 VAL N N 15 0.829 0.055 . . . . . . . . . . 4267 9 52 . 1 1 68 68 THR H H 1 . 1 1 68 68 THR N N 15 0.856 0.074 . . . . . . . . . . 4267 9 53 . 1 1 69 69 SER H H 1 . 1 1 69 69 SER N N 15 0.901 0.114 . . . . . . . . . . 4267 9 54 . 1 1 71 71 LEU H H 1 . 1 1 71 71 LEU N N 15 0.732 0.067 . . . . . . . . . . 4267 9 55 . 1 1 73 73 ARG H H 1 . 1 1 73 73 ARG N N 15 0.765 0.050 . . . . . . . . . . 4267 9 56 . 1 1 76 76 LYS H H 1 . 1 1 76 76 LYS N N 15 0.677 0.050 . . . . . . . . . . 4267 9 57 . 1 1 77 77 CYS H H 1 . 1 1 77 77 CYS N N 15 0.696 0.053 . . . . . . . . . . 4267 9 58 . 1 1 78 78 ASP H H 1 . 1 1 78 78 ASP N N 15 0.781 0.070 . . . . . . . . . . 4267 9 59 . 1 1 79 79 TYR H H 1 . 1 1 79 79 TYR N N 15 0.733 0.050 . . . . . . . . . . 4267 9 60 . 1 1 80 80 TRP H H 1 . 1 1 80 80 TRP N N 15 0.878 0.062 . . . . . . . . . . 4267 9 61 . 1 1 82 82 ARG H H 1 . 1 1 82 82 ARG N N 15 0.718 0.074 . . . . . . . . . . 4267 9 62 . 1 1 83 83 THR H H 1 . 1 1 83 83 THR N N 15 0.777 0.063 . . . . . . . . . . 4267 9 63 . 1 1 84 84 PHE H H 1 . 1 1 84 84 PHE N N 15 0.766 0.064 . . . . . . . . . . 4267 9 64 . 1 1 87 87 GLY H H 1 . 1 1 87 87 GLY N N 15 0.731 0.074 . . . . . . . . . . 4267 9 65 . 1 1 88 88 CYS H H 1 . 1 1 88 88 CYS N N 15 0.820 0.050 . . . . . . . . . . 4267 9 66 . 1 1 89 89 GLN H H 1 . 1 1 89 89 GLN N N 15 0.553 0.050 . . . . . . . . . . 4267 9 67 . 1 1 92 92 GLU H H 1 . 1 1 92 92 GLU N N 15 0.796 0.050 . . . . . . . . . . 4267 9 68 . 1 1 93 93 PHE H H 1 . 1 1 93 93 PHE N N 15 0.730 0.050 . . . . . . . . . . 4267 9 69 . 1 1 94 94 THR H H 1 . 1 1 94 94 THR N N 15 0.782 0.062 . . . . . . . . . . 4267 9 70 . 1 1 95 95 LEU H H 1 . 1 1 95 95 LEU N N 15 0.865 0.065 . . . . . . . . . . 4267 9 71 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.712 0.080 . . . . . . . . . . 4267 9 72 . 1 1 97 97 ASN H H 1 . 1 1 97 97 ASN N N 15 0.862 0.106 . . . . . . . . . . 4267 9 73 . 1 1 98 98 ILE H H 1 . 1 1 98 98 ILE N N 15 0.770 0.050 . . . . . . . . . . 4267 9 74 . 1 1 99 99 LYS H H 1 . 1 1 99 99 LYS N N 15 0.726 0.050 . . . . . . . . . . 4267 9 75 . 1 1 100 100 SER H H 1 . 1 1 100 100 SER N N 15 0.823 0.050 . . . . . . . . . . 4267 9 76 . 1 1 101 101 TYR H H 1 . 1 1 101 101 TYR N N 15 0.755 0.050 . . . . . . . . . . 4267 9 77 . 1 1 103 103 GLY H H 1 . 1 1 103 103 GLY N N 15 0.896 0.254 . . . . . . . . . . 4267 9 78 . 1 1 104 104 LEU H H 1 . 1 1 104 104 LEU N N 15 0.719 0.050 . . . . . . . . . . 4267 9 79 . 1 1 105 105 THR H H 1 . 1 1 105 105 THR N N 15 0.764 0.060 . . . . . . . . . . 4267 9 80 . 1 1 106 106 SER H H 1 . 1 1 106 106 SER N N 15 0.776 0.050 . . . . . . . . . . 4267 9 81 . 1 1 107 107 TYR H H 1 . 1 1 107 107 TYR N N 15 0.766 0.053 . . . . . . . . . . 4267 9 82 . 1 1 108 108 LEU H H 1 . 1 1 108 108 LEU N N 15 0.765 0.063 . . . . . . . . . . 4267 9 83 . 1 1 109 109 VAL H H 1 . 1 1 109 109 VAL N N 15 0.785 0.055 . . . . . . . . . . 4267 9 84 . 1 1 110 110 ARG H H 1 . 1 1 110 110 ARG N N 15 0.784 0.050 . . . . . . . . . . 4267 9 85 . 1 1 112 112 VAL H H 1 . 1 1 112 112 VAL N N 15 0.896 0.077 . . . . . . . . . . 4267 9 86 . 1 1 113 113 SER H H 1 . 1 1 113 113 SER N N 15 0.818 0.050 . . . . . . . . . . 4267 9 87 . 1 1 115 115 ASN H H 1 . 1 1 115 115 ASN N N 15 0.778 0.059 . . . . . . . . . . 4267 9 88 . 1 1 116 116 TYR H H 1 . 1 1 116 116 TYR N N 15 0.797 0.080 . . . . . . . . . . 4267 9 89 . 1 1 117 117 ASN H H 1 . 1 1 117 117 ASN N N 15 0.829 0.050 . . . . . . . . . . 4267 9 90 . 1 1 118 118 GLN H H 1 . 1 1 118 118 GLN N N 15 0.845 0.051 . . . . . . . . . . 4267 9 91 . 1 1 119 119 HIS H H 1 . 1 1 119 119 HIS N N 15 0.881 0.068 . . . . . . . . . . 4267 9 92 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.851 0.050 . . . . . . . . . . 4267 9 93 . 1 1 122 122 VAL H H 1 . 1 1 122 122 VAL N N 15 0.886 0.074 . . . . . . . . . . 4267 9 94 . 1 1 123 123 PHE H H 1 . 1 1 123 123 PHE N N 15 0.815 0.077 . . . . . . . . . . 4267 9 95 . 1 1 124 124 PHE H H 1 . 1 1 124 124 PHE N N 15 0.840 0.050 . . . . . . . . . . 4267 9 96 . 1 1 125 125 LYS H H 1 . 1 1 125 125 LYS N N 15 0.819 0.050 . . . . . . . . . . 4267 9 97 . 1 1 127 127 VAL H H 1 . 1 1 127 127 VAL N N 15 0.854 0.073 . . . . . . . . . . 4267 9 98 . 1 1 128 128 SER H H 1 . 1 1 128 128 SER N N 15 0.782 0.051 . . . . . . . . . . 4267 9 99 . 1 1 129 129 GLN H H 1 . 1 1 129 129 GLN N N 15 0.826 0.083 . . . . . . . . . . 4267 9 100 . 1 1 130 130 ASN H H 1 . 1 1 130 130 ASN N N 15 0.707 0.050 . . . . . . . . . . 4267 9 101 . 1 1 131 131 ARG H H 1 . 1 1 131 131 ARG N N 15 0.689 0.050 . . . . . . . . . . 4267 9 102 . 1 1 132 132 GLU H H 1 . 1 1 132 132 GLU N N 15 0.726 0.050 . . . . . . . . . . 4267 9 103 . 1 1 133 133 TYR H H 1 . 1 1 133 133 TYR N N 15 0.742 0.067 . . . . . . . . . . 4267 9 104 . 1 1 134 134 PHE H H 1 . 1 1 134 134 PHE N N 15 0.764 0.050 . . . . . . . . . . 4267 9 105 . 1 1 135 135 LYS H H 1 . 1 1 135 135 LYS N N 15 0.841 0.050 . . . . . . . . . . 4267 9 106 . 1 1 136 136 ILE H H 1 . 1 1 136 136 ILE N N 15 0.845 0.068 . . . . . . . . . . 4267 9 107 . 1 1 137 137 THR H H 1 . 1 1 137 137 THR N N 15 0.799 0.080 . . . . . . . . . . 4267 9 108 . 1 1 138 138 LEU H H 1 . 1 1 138 138 LEU N N 15 0.903 0.073 . . . . . . . . . . 4267 9 109 . 1 1 139 139 TYR H H 1 . 1 1 139 139 TYR N N 15 0.795 0.059 . . . . . . . . . . 4267 9 110 . 1 1 140 140 GLY H H 1 . 1 1 140 140 GLY N N 15 0.763 0.063 . . . . . . . . . . 4267 9 111 . 1 1 141 141 ARG H H 1 . 1 1 141 141 ARG N N 15 0.861 0.062 . . . . . . . . . . 4267 9 112 . 1 1 142 142 THR H H 1 . 1 1 142 142 THR N N 15 0.830 0.050 . . . . . . . . . . 4267 9 113 . 1 1 143 143 LYS H H 1 . 1 1 143 143 LYS N N 15 0.752 0.057 . . . . . . . . . . 4267 9 114 . 1 1 144 144 GLU H H 1 . 1 1 144 144 GLU N N 15 0.680 0.050 . . . . . . . . . . 4267 9 115 . 1 1 146 146 THR H H 1 . 1 1 146 146 THR N N 15 0.622 0.050 . . . . . . . . . . 4267 9 116 . 1 1 148 148 GLU H H 1 . 1 1 148 148 GLU N N 15 0.831 0.050 . . . . . . . . . . 4267 9 117 . 1 1 150 150 LYS H H 1 . 1 1 150 150 LYS N N 15 0.761 0.050 . . . . . . . . . . 4267 9 118 . 1 1 151 151 GLU H H 1 . 1 1 151 151 GLU N N 15 0.785 0.050 . . . . . . . . . . 4267 9 119 . 1 1 152 152 ASN H H 1 . 1 1 152 152 ASN N N 15 0.827 0.050 . . . . . . . . . . 4267 9 120 . 1 1 154 154 ILE H H 1 . 1 1 154 154 ILE N N 15 0.799 0.050 . . . . . . . . . . 4267 9 121 . 1 1 155 155 ARG H H 1 . 1 1 155 155 ARG N N 15 0.790 0.050 . . . . . . . . . . 4267 9 122 . 1 1 156 156 PHE H H 1 . 1 1 156 156 PHE N N 15 0.819 0.050 . . . . . . . . . . 4267 9 123 . 1 1 157 157 SER H H 1 . 1 1 157 157 SER N N 15 0.790 0.050 . . . . . . . . . . 4267 9 124 . 1 1 158 158 LYS H H 1 . 1 1 158 158 LYS N N 15 0.799 0.050 . . . . . . . . . . 4267 9 125 . 1 1 159 159 SER H H 1 . 1 1 159 159 SER N N 15 0.826 0.050 . . . . . . . . . . 4267 9 126 . 1 1 160 160 LEU H H 1 . 1 1 160 160 LEU N N 15 0.808 0.050 . . . . . . . . . . 4267 9 127 . 1 1 161 161 GLY H H 1 . 1 1 161 161 GLY N N 15 0.846 0.050 . . . . . . . . . . 4267 9 128 . 1 1 162 162 LEU H H 1 . 1 1 162 162 LEU N N 15 0.818 0.050 . . . . . . . . . . 4267 9 129 . 1 1 165 165 ASN H H 1 . 1 1 165 165 ASN N N 15 0.788 0.055 . . . . . . . . . . 4267 9 130 . 1 1 167 167 ILE H H 1 . 1 1 167 167 ILE N N 15 0.825 0.058 . . . . . . . . . . 4267 9 131 . 1 1 168 168 VAL H H 1 . 1 1 168 168 VAL N N 15 0.787 0.054 . . . . . . . . . . 4267 9 132 . 1 1 169 169 PHE H H 1 . 1 1 169 169 PHE N N 15 0.773 0.051 . . . . . . . . . . 4267 9 133 . 1 1 171 171 VAL H H 1 . 1 1 171 171 VAL N N 15 0.718 0.053 . . . . . . . . . . 4267 9 134 . 1 1 173 173 ILE H H 1 . 1 1 173 173 ILE N N 15 0.721 0.189 . . . . . . . . . . 4267 9 135 . 1 1 175 175 GLN H H 1 . 1 1 175 175 GLN N N 15 0.534 0.063 . . . . . . . . . . 4267 9 136 . 1 1 176 176 CYS H H 1 . 1 1 176 176 CYS N N 15 0.703 0.145 . . . . . . . . . . 4267 9 137 . 1 1 178 178 ASP H H 1 . 1 1 178 178 ASP N N 15 0.708 0.050 . . . . . . . . . . 4267 9 138 . 1 1 179 179 GLY H H 1 . 1 1 179 179 GLY N N 15 -0.224 0.050 . . . . . . . . . . 4267 9 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_relaxation_750 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_750 _Heteronucl_T1_list.Entry_ID 4267 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_T1_list.Spectrometer_frequency_1H 750 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details ; N15 T1 relaxation data with decoupling of CSA/DD cross-relaxation, water flipback. Interleaved acquisition mode. 750 MHz. ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ASP N N 15 1.030 0.031 . . . . . 4267 1 2 . 1 1 4 4 SER N N 15 1.064 0.032 . . . . . 4267 1 3 . 1 1 5 5 THR N N 15 0.960 0.029 . . . . . 4267 1 4 . 1 1 6 6 SER N N 15 0.910 0.027 . . . . . 4267 1 5 . 1 1 7 7 ASP N N 15 0.487 0.013 . . . . . 4267 1 6 . 1 1 8 8 LEU N N 15 1.019 0.031 . . . . . 4267 1 7 . 1 1 9 9 ILE N N 15 1.225 0.055 . . . . . 4267 1 8 . 1 1 11 11 ALA N N 15 1.431 0.063 . . . . . 4267 1 9 . 1 1 14 14 LEU N N 15 1.337 0.040 . . . . . 4267 1 10 . 1 1 15 15 SER N N 15 1.348 0.040 . . . . . 4267 1 11 . 1 1 16 16 LYS N N 15 1.395 0.043 . . . . . 4267 1 12 . 1 1 17 17 VAL N N 15 1.508 0.045 . . . . . 4267 1 13 . 1 1 19 19 LEU N N 15 1.490 0.046 . . . . . 4267 1 14 . 1 1 20 20 GLN N N 15 1.390 0.044 . . . . . 4267 1 15 . 1 1 21 21 GLN N N 15 1.455 0.044 . . . . . 4267 1 16 . 1 1 22 22 ASN N N 15 1.514 0.045 . . . . . 4267 1 17 . 1 1 23 23 PHE N N 15 1.568 0.060 . . . . . 4267 1 18 . 1 1 24 24 GLN N N 15 1.765 0.063 . . . . . 4267 1 19 . 1 1 25 25 ASP N N 15 1.577 0.047 . . . . . 4267 1 20 . 1 1 26 26 ASN N N 15 1.386 0.046 . . . . . 4267 1 21 . 1 1 27 27 GLN N N 15 1.456 0.044 . . . . . 4267 1 22 . 1 1 28 28 PHE N N 15 1.520 0.046 . . . . . 4267 1 23 . 1 1 29 29 GLN N N 15 1.528 0.046 . . . . . 4267 1 24 . 1 1 30 30 GLY N N 15 1.504 0.057 . . . . . 4267 1 25 . 1 1 31 31 LYS N N 15 1.525 0.052 . . . . . 4267 1 26 . 1 1 32 32 TRP N N 15 1.598 0.087 . . . . . 4267 1 27 . 1 1 33 33 TYR N N 15 1.552 0.075 . . . . . 4267 1 28 . 1 1 34 34 VAL N N 15 1.694 0.051 . . . . . 4267 1 29 . 1 1 35 35 VAL N N 15 1.565 0.094 . . . . . 4267 1 30 . 1 1 36 36 GLY N N 15 1.458 0.063 . . . . . 4267 1 31 . 1 1 37 37 LEU N N 15 1.433 0.043 . . . . . 4267 1 32 . 1 1 38 38 ALA N N 15 1.467 0.056 . . . . . 4267 1 33 . 1 1 39 39 GLY N N 15 1.550 0.053 . . . . . 4267 1 34 . 1 1 40 40 ASN N N 15 1.586 0.048 . . . . . 4267 1 35 . 1 1 41 41 ALA N N 15 1.431 0.043 . . . . . 4267 1 36 . 1 1 42 42 ILE N N 15 1.458 0.067 . . . . . 4267 1 37 . 1 1 43 43 LEU N N 15 1.423 0.058 . . . . . 4267 1 38 . 1 1 46 46 ASP N N 15 1.160 0.051 . . . . . 4267 1 39 . 1 1 48 48 ASP N N 15 1.248 0.075 . . . . . 4267 1 40 . 1 1 52 52 MET N N 15 1.650 0.077 . . . . . 4267 1 41 . 1 1 53 53 TYR N N 15 1.700 0.102 . . . . . 4267 1 42 . 1 1 54 54 ALA N N 15 1.500 0.090 . . . . . 4267 1 43 . 1 1 55 55 THR N N 15 1.646 0.051 . . . . . 4267 1 44 . 1 1 56 56 ILE N N 15 1.700 0.102 . . . . . 4267 1 45 . 1 1 57 57 TYR N N 15 1.640 0.050 . . . . . 4267 1 46 . 1 1 58 58 GLU N N 15 1.658 0.056 . . . . . 4267 1 47 . 1 1 60 60 LYS N N 15 1.513 0.045 . . . . . 4267 1 48 . 1 1 61 61 GLU N N 15 1.435 0.043 . . . . . 4267 1 49 . 1 1 62 62 ASP N N 15 1.504 0.045 . . . . . 4267 1 50 . 1 1 63 63 LYS N N 15 1.495 0.054 . . . . . 4267 1 51 . 1 1 64 64 SER N N 15 1.450 0.044 . . . . . 4267 1 52 . 1 1 65 65 TYR N N 15 1.473 0.044 . . . . . 4267 1 53 . 1 1 66 66 ASN N N 15 1.560 0.053 . . . . . 4267 1 54 . 1 1 67 67 VAL N N 15 1.638 0.066 . . . . . 4267 1 55 . 1 1 68 68 THR N N 15 1.655 0.099 . . . . . 4267 1 56 . 1 1 69 69 SER N N 15 1.790 0.106 . . . . . 4267 1 57 . 1 1 71 71 LEU N N 15 1.570 0.047 . . . . . 4267 1 58 . 1 1 73 73 ARG N N 15 1.515 0.065 . . . . . 4267 1 59 . 1 1 74 74 LYS N N 15 1.450 0.075 . . . . . 4267 1 60 . 1 1 75 75 LYS N N 15 1.327 0.040 . . . . . 4267 1 61 . 1 1 76 76 LYS N N 15 1.317 0.040 . . . . . 4267 1 62 . 1 1 77 77 CYS N N 15 1.408 0.042 . . . . . 4267 1 63 . 1 1 78 78 ASP N N 15 1.484 0.067 . . . . . 4267 1 64 . 1 1 79 79 TYR N N 15 1.534 0.049 . . . . . 4267 1 65 . 1 1 80 80 TRP N N 15 1.677 0.083 . . . . . 4267 1 66 . 1 1 82 82 ARG N N 15 1.713 0.077 . . . . . 4267 1 67 . 1 1 83 83 THR N N 15 1.630 0.051 . . . . . 4267 1 68 . 1 1 84 84 PHE N N 15 1.593 0.049 . . . . . 4267 1 69 . 1 1 87 87 GLY N N 15 1.500 0.076 . . . . . 4267 1 70 . 1 1 88 88 CYS N N 15 1.400 0.050 . . . . . 4267 1 71 . 1 1 89 89 GLN N N 15 1.310 0.039 . . . . . 4267 1 72 . 1 1 92 92 GLU N N 15 1.350 0.041 . . . . . 4267 1 73 . 1 1 93 93 PHE N N 15 1.418 0.043 . . . . . 4267 1 74 . 1 1 94 94 THR N N 15 1.575 0.062 . . . . . 4267 1 75 . 1 1 95 95 LEU N N 15 1.650 0.058 . . . . . 4267 1 76 . 1 1 96 96 GLY N N 15 1.393 0.067 . . . . . 4267 1 77 . 1 1 97 97 ASN N N 15 1.480 0.044 . . . . . 4267 1 78 . 1 1 98 98 ILE N N 15 1.487 0.045 . . . . . 4267 1 79 . 1 1 99 99 LYS N N 15 1.300 0.039 . . . . . 4267 1 80 . 1 1 100 100 SER N N 15 1.474 0.047 . . . . . 4267 1 81 . 1 1 101 101 TYR N N 15 1.463 0.044 . . . . . 4267 1 82 . 1 1 104 104 LEU N N 15 1.490 0.045 . . . . . 4267 1 83 . 1 1 105 105 THR N N 15 1.440 0.086 . . . . . 4267 1 84 . 1 1 106 106 SER N N 15 1.515 0.053 . . . . . 4267 1 85 . 1 1 107 107 TYR N N 15 1.480 0.044 . . . . . 4267 1 86 . 1 1 108 108 LEU N N 15 1.385 0.050 . . . . . 4267 1 87 . 1 1 109 109 VAL N N 15 1.545 0.077 . . . . . 4267 1 88 . 1 1 110 110 ARG N N 15 1.487 0.060 . . . . . 4267 1 89 . 1 1 112 112 VAL N N 15 1.290 0.077 . . . . . 4267 1 90 . 1 1 113 113 SER N N 15 1.535 0.046 . . . . . 4267 1 91 . 1 1 114 114 THR N N 15 1.485 0.045 . . . . . 4267 1 92 . 1 1 115 115 ASN N N 15 1.566 0.050 . . . . . 4267 1 93 . 1 1 116 116 TYR N N 15 1.540 0.092 . . . . . 4267 1 94 . 1 1 117 117 ASN N N 15 1.547 0.049 . . . . . 4267 1 95 . 1 1 118 118 GLN N N 15 1.583 0.055 . . . . . 4267 1 96 . 1 1 119 119 HIS N N 15 1.465 0.056 . . . . . 4267 1 97 . 1 1 120 120 ALA N N 15 1.536 0.046 . . . . . 4267 1 98 . 1 1 122 122 VAL N N 15 1.540 0.092 . . . . . 4267 1 99 . 1 1 123 123 PHE N N 15 1.535 0.074 . . . . . 4267 1 100 . 1 1 124 124 PHE N N 15 1.540 0.062 . . . . . 4267 1 101 . 1 1 125 125 LYS N N 15 1.605 0.077 . . . . . 4267 1 102 . 1 1 127 127 VAL N N 15 1.617 0.090 . . . . . 4267 1 103 . 1 1 128 128 SER N N 15 1.446 0.061 . . . . . 4267 1 104 . 1 1 129 129 GLN N N 15 1.363 0.041 . . . . . 4267 1 105 . 1 1 130 130 ASN N N 15 1.405 0.042 . . . . . 4267 1 106 . 1 1 131 131 ARG N N 15 1.495 0.045 . . . . . 4267 1 107 . 1 1 132 132 GLU N N 15 1.557 0.055 . . . . . 4267 1 108 . 1 1 133 133 TYR N N 15 1.560 0.060 . . . . . 4267 1 109 . 1 1 134 134 PHE N N 15 1.478 0.044 . . . . . 4267 1 110 . 1 1 135 135 LYS N N 15 1.556 0.051 . . . . . 4267 1 111 . 1 1 136 136 ILE N N 15 1.560 0.068 . . . . . 4267 1 112 . 1 1 137 137 THR N N 15 1.490 0.076 . . . . . 4267 1 113 . 1 1 138 138 LEU N N 15 1.725 0.104 . . . . . 4267 1 114 . 1 1 139 139 TYR N N 15 1.550 0.078 . . . . . 4267 1 115 . 1 1 140 140 GLY N N 15 1.570 0.094 . . . . . 4267 1 116 . 1 1 141 141 ARG N N 15 1.525 0.086 . . . . . 4267 1 117 . 1 1 142 142 THR N N 15 1.490 0.058 . . . . . 4267 1 118 . 1 1 143 143 LYS N N 15 1.660 0.075 . . . . . 4267 1 119 . 1 1 144 144 GLU N N 15 1.640 0.049 . . . . . 4267 1 120 . 1 1 145 145 LEU N N 15 1.560 0.080 . . . . . 4267 1 121 . 1 1 146 146 THR N N 15 1.725 0.052 . . . . . 4267 1 122 . 1 1 147 147 SER N N 15 1.880 0.057 . . . . . 4267 1 123 . 1 1 148 148 GLU N N 15 1.395 0.042 . . . . . 4267 1 124 . 1 1 150 150 LYS N N 15 1.410 0.047 . . . . . 4267 1 125 . 1 1 151 151 GLU N N 15 1.478 0.044 . . . . . 4267 1 126 . 1 1 152 152 ASN N N 15 1.388 0.042 . . . . . 4267 1 127 . 1 1 153 153 PHE N N 15 1.350 0.041 . . . . . 4267 1 128 . 1 1 154 154 ILE N N 15 1.357 0.047 . . . . . 4267 1 129 . 1 1 155 155 ARG N N 15 1.470 0.044 . . . . . 4267 1 130 . 1 1 156 156 PHE N N 15 1.420 0.043 . . . . . 4267 1 131 . 1 1 157 157 SER N N 15 1.395 0.042 . . . . . 4267 1 132 . 1 1 158 158 LYS N N 15 1.430 0.055 . . . . . 4267 1 133 . 1 1 159 159 SER N N 15 1.540 0.047 . . . . . 4267 1 134 . 1 1 160 160 LEU N N 15 1.423 0.043 . . . . . 4267 1 135 . 1 1 161 161 GLY N N 15 1.470 0.044 . . . . . 4267 1 136 . 1 1 162 162 LEU N N 15 1.490 0.057 . . . . . 4267 1 137 . 1 1 165 165 ASN N N 15 1.288 0.039 . . . . . 4267 1 138 . 1 1 167 167 ILE N N 15 1.533 0.046 . . . . . 4267 1 139 . 1 1 168 168 VAL N N 15 1.496 0.046 . . . . . 4267 1 140 . 1 1 169 169 PHE N N 15 1.590 0.100 . . . . . 4267 1 141 . 1 1 171 171 VAL N N 15 1.366 0.049 . . . . . 4267 1 142 . 1 1 173 173 ILE N N 15 1.600 0.100 . . . . . 4267 1 143 . 1 1 175 175 GLN N N 15 1.747 0.099 . . . . . 4267 1 144 . 1 1 176 176 CYS N N 15 1.555 0.063 . . . . . 4267 1 145 . 1 1 178 178 ASP N N 15 1.532 0.048 . . . . . 4267 1 146 . 1 1 179 179 GLY N N 15 1.127 0.034 . . . . . 4267 1 147 . 1 1 32 32 TRP NE1 N 15 1.950 0.059 . . . . . 4267 1 148 . 1 1 80 80 TRP NE1 N 15 1.378 0.041 . . . . . 4267 1 149 . 1 1 110 110 ARG NE N 15 1.700 0.102 . . . . . 4267 1 150 . 1 1 141 141 ARG NE N 15 1.245 0.075 . . . . . 4267 1 151 . 1 1 155 155 ARG NE N 15 1.830 0.110 . . . . . 4267 1 stop_ save_ save_T1_relaxation_600 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_600 _Heteronucl_T1_list.Entry_ID 4267 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details ; N15 T1 relaxation data with decoupling of CSA/DD cross-relaxation, water flipback. Interleaved acquisition mode. 600 MHz. ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ASP N N 15 0.792 0.020 . . . . . 4267 2 2 . 1 1 4 4 SER N N 15 0.770 0.026 . . . . . 4267 2 3 . 1 1 5 5 THR N N 15 0.705 0.026 . . . . . 4267 2 4 . 1 1 6 6 SER N N 15 0.686 0.019 . . . . . 4267 2 5 . 1 1 7 7 ASP N N 15 0.670 0.013 . . . . . 4267 2 6 . 1 1 8 8 LEU N N 15 0.833 0.017 . . . . . 4267 2 7 . 1 1 9 9 ILE N N 15 0.990 0.047 . . . . . 4267 2 8 . 1 1 11 11 ALA N N 15 1.030 0.021 . . . . . 4267 2 9 . 1 1 14 14 LEU N N 15 1.019 0.020 . . . . . 4267 2 10 . 1 1 15 15 SER N N 15 0.942 0.033 . . . . . 4267 2 11 . 1 1 16 16 LYS N N 15 0.991 0.028 . . . . . 4267 2 12 . 1 1 17 17 VAL N N 15 1.034 0.021 . . . . . 4267 2 13 . 1 1 19 19 LEU N N 15 1.084 0.022 . . . . . 4267 2 14 . 1 1 20 20 GLN N N 15 0.996 0.033 . . . . . 4267 2 15 . 1 1 21 21 GLN N N 15 1.042 0.021 . . . . . 4267 2 16 . 1 1 22 22 ASN N N 15 0.948 0.022 . . . . . 4267 2 17 . 1 1 23 23 PHE N N 15 1.062 0.021 . . . . . 4267 2 18 . 1 1 24 24 GLN N N 15 1.106 0.055 . . . . . 4267 2 19 . 1 1 25 25 ASP N N 15 1.097 0.039 . . . . . 4267 2 20 . 1 1 26 26 ASN N N 15 0.992 0.020 . . . . . 4267 2 21 . 1 1 27 27 GLN N N 15 1.074 0.023 . . . . . 4267 2 22 . 1 1 28 28 PHE N N 15 1.049 0.033 . . . . . 4267 2 23 . 1 1 29 29 GLN N N 15 1.055 0.032 . . . . . 4267 2 24 . 1 1 30 30 GLY N N 15 1.008 0.037 . . . . . 4267 2 25 . 1 1 31 31 LYS N N 15 1.074 0.021 . . . . . 4267 2 26 . 1 1 32 32 TRP N N 15 0.992 0.035 . . . . . 4267 2 27 . 1 1 33 33 TYR N N 15 1.047 0.028 . . . . . 4267 2 28 . 1 1 34 34 VAL N N 15 1.093 0.055 . . . . . 4267 2 29 . 1 1 35 35 VAL N N 15 1.096 0.055 . . . . . 4267 2 30 . 1 1 36 36 GLY N N 15 1.091 0.034 . . . . . 4267 2 31 . 1 1 37 37 LEU N N 15 1.026 0.033 . . . . . 4267 2 32 . 1 1 38 38 ALA N N 15 1.094 0.032 . . . . . 4267 2 33 . 1 1 39 39 GLY N N 15 1.060 0.045 . . . . . 4267 2 34 . 1 1 40 40 ASN N N 15 1.020 0.046 . . . . . 4267 2 35 . 1 1 41 41 ALA N N 15 1.002 0.042 . . . . . 4267 2 36 . 1 1 42 42 ILE N N 15 1.060 0.039 . . . . . 4267 2 37 . 1 1 43 43 LEU N N 15 1.024 0.044 . . . . . 4267 2 38 . 1 1 46 46 ASP N N 15 0.890 0.045 . . . . . 4267 2 39 . 1 1 48 48 ASP N N 15 0.854 0.021 . . . . . 4267 2 40 . 1 1 52 52 MET N N 15 1.040 0.052 . . . . . 4267 2 41 . 1 1 53 53 TYR N N 15 1.040 0.052 . . . . . 4267 2 42 . 1 1 54 54 ALA N N 15 1.008 0.027 . . . . . 4267 2 43 . 1 1 55 55 THR N N 15 1.052 0.039 . . . . . 4267 2 44 . 1 1 56 56 ILE N N 15 1.030 0.052 . . . . . 4267 2 45 . 1 1 57 57 TYR N N 15 1.133 0.043 . . . . . 4267 2 46 . 1 1 58 58 GLU N N 15 1.060 0.052 . . . . . 4267 2 47 . 1 1 60 60 LYS N N 15 0.934 0.032 . . . . . 4267 2 48 . 1 1 61 61 GLU N N 15 0.965 0.019 . . . . . 4267 2 49 . 1 1 62 62 ASP N N 15 1.102 0.022 . . . . . 4267 2 50 . 1 1 63 63 LYS N N 15 0.999 0.044 . . . . . 4267 2 51 . 1 1 64 64 SER N N 15 0.999 0.044 . . . . . 4267 2 52 . 1 1 65 65 TYR N N 15 1.080 0.039 . . . . . 4267 2 53 . 1 1 66 66 ASN N N 15 1.055 0.038 . . . . . 4267 2 54 . 1 1 67 67 VAL N N 15 1.011 0.029 . . . . . 4267 2 55 . 1 1 68 68 THR N N 15 1.033 0.035 . . . . . 4267 2 56 . 1 1 69 69 SER N N 15 1.039 0.038 . . . . . 4267 2 57 . 1 1 71 71 LEU N N 15 1.030 0.039 . . . . . 4267 2 58 . 1 1 73 73 ARG N N 15 1.002 0.029 . . . . . 4267 2 59 . 1 1 74 74 LYS N N 15 0.980 0.043 . . . . . 4267 2 60 . 1 1 75 75 LYS N N 15 0.900 0.030 . . . . . 4267 2 61 . 1 1 76 76 LYS N N 15 0.983 0.020 . . . . . 4267 2 62 . 1 1 77 77 CYS N N 15 1.142 0.027 . . . . . 4267 2 63 . 1 1 78 78 ASP N N 15 1.099 0.039 . . . . . 4267 2 64 . 1 1 79 79 TYR N N 15 1.100 0.032 . . . . . 4267 2 65 . 1 1 80 80 TRP N N 15 1.100 0.055 . . . . . 4267 2 66 . 1 1 82 82 ARG N N 15 1.050 0.051 . . . . . 4267 2 67 . 1 1 83 83 THR N N 15 1.133 0.038 . . . . . 4267 2 68 . 1 1 84 84 PHE N N 15 1.105 0.037 . . . . . 4267 2 69 . 1 1 87 87 GLY N N 15 1.029 0.038 . . . . . 4267 2 70 . 1 1 88 88 CYS N N 15 1.033 0.031 . . . . . 4267 2 71 . 1 1 89 89 GLN N N 15 1.004 0.020 . . . . . 4267 2 72 . 1 1 92 92 GLU N N 15 0.994 0.020 . . . . . 4267 2 73 . 1 1 93 93 PHE N N 15 0.973 0.022 . . . . . 4267 2 74 . 1 1 94 94 THR N N 15 1.051 0.032 . . . . . 4267 2 75 . 1 1 95 95 LEU N N 15 1.020 0.036 . . . . . 4267 2 76 . 1 1 96 96 GLY N N 15 1.003 0.048 . . . . . 4267 2 77 . 1 1 97 97 ASN N N 15 0.915 0.023 . . . . . 4267 2 78 . 1 1 98 98 ILE N N 15 1.057 0.032 . . . . . 4267 2 79 . 1 1 99 99 LYS N N 15 0.993 0.020 . . . . . 4267 2 80 . 1 1 100 100 SER N N 15 1.018 0.027 . . . . . 4267 2 81 . 1 1 101 101 TYR N N 15 1.047 0.023 . . . . . 4267 2 82 . 1 1 103 103 GLY N N 15 1.016 0.051 . . . . . 4267 2 83 . 1 1 104 104 LEU N N 15 1.013 0.020 . . . . . 4267 2 84 . 1 1 105 105 THR N N 15 1.103 0.032 . . . . . 4267 2 85 . 1 1 106 106 SER N N 15 1.043 0.025 . . . . . 4267 2 86 . 1 1 107 107 TYR N N 15 1.059 0.031 . . . . . 4267 2 87 . 1 1 108 108 LEU N N 15 1.066 0.035 . . . . . 4267 2 88 . 1 1 109 109 VAL N N 15 1.059 0.021 . . . . . 4267 2 89 . 1 1 110 110 ARG N N 15 1.018 0.026 . . . . . 4267 2 90 . 1 1 112 112 VAL N N 15 1.001 0.035 . . . . . 4267 2 91 . 1 1 113 113 SER N N 15 1.068 0.025 . . . . . 4267 2 92 . 1 1 115 115 ASN N N 15 1.060 0.045 . . . . . 4267 2 93 . 1 1 116 116 TYR N N 15 1.000 0.050 . . . . . 4267 2 94 . 1 1 117 117 ASN N N 15 1.106 0.035 . . . . . 4267 2 95 . 1 1 118 118 GLN N N 15 0.955 0.028 . . . . . 4267 2 96 . 1 1 119 119 HIS N N 15 1.056 0.043 . . . . . 4267 2 97 . 1 1 120 120 ALA N N 15 1.047 0.033 . . . . . 4267 2 98 . 1 1 122 122 VAL N N 15 1.122 0.043 . . . . . 4267 2 99 . 1 1 123 123 PHE N N 15 1.064 0.038 . . . . . 4267 2 100 . 1 1 124 124 PHE N N 15 1.054 0.029 . . . . . 4267 2 101 . 1 1 125 125 LYS N N 15 1.047 0.030 . . . . . 4267 2 102 . 1 1 127 127 VAL N N 15 1.041 0.030 . . . . . 4267 2 103 . 1 1 128 128 SER N N 15 1.034 0.034 . . . . . 4267 2 104 . 1 1 129 129 GLN N N 15 1.000 0.034 . . . . . 4267 2 105 . 1 1 130 130 ASN N N 15 1.026 0.024 . . . . . 4267 2 106 . 1 1 131 131 ARG N N 15 1.034 0.029 . . . . . 4267 2 107 . 1 1 132 132 GLU N N 15 1.079 0.022 . . . . . 4267 2 108 . 1 1 133 133 TYR N N 15 1.087 0.041 . . . . . 4267 2 109 . 1 1 134 134 PHE N N 15 1.036 0.021 . . . . . 4267 2 110 . 1 1 135 135 LYS N N 15 1.070 0.028 . . . . . 4267 2 111 . 1 1 136 136 ILE N N 15 1.099 0.031 . . . . . 4267 2 112 . 1 1 137 137 THR N N 15 1.043 0.049 . . . . . 4267 2 113 . 1 1 138 138 LEU N N 15 1.071 0.047 . . . . . 4267 2 114 . 1 1 139 139 TYR N N 15 1.024 0.045 . . . . . 4267 2 115 . 1 1 140 140 GLY N N 15 1.090 0.036 . . . . . 4267 2 116 . 1 1 141 141 ARG N N 15 1.059 0.021 . . . . . 4267 2 117 . 1 1 142 142 THR N N 15 1.040 0.030 . . . . . 4267 2 118 . 1 1 143 143 LYS N N 15 1.056 0.034 . . . . . 4267 2 119 . 1 1 144 144 GLU N N 15 1.167 0.050 . . . . . 4267 2 120 . 1 1 145 145 LEU N N 15 1.112 0.040 . . . . . 4267 2 121 . 1 1 146 146 THR N N 15 1.227 0.042 . . . . . 4267 2 122 . 1 1 147 147 SER N N 15 0.985 0.041 . . . . . 4267 2 123 . 1 1 148 148 GLU N N 15 0.949 0.024 . . . . . 4267 2 124 . 1 1 150 150 LYS N N 15 1.041 0.021 . . . . . 4267 2 125 . 1 1 151 151 GLU N N 15 1.034 0.021 . . . . . 4267 2 126 . 1 1 152 152 ASN N N 15 1.007 0.020 . . . . . 4267 2 127 . 1 1 153 153 PHE N N 15 0.986 0.025 . . . . . 4267 2 128 . 1 1 154 154 ILE N N 15 0.986 0.020 . . . . . 4267 2 129 . 1 1 155 155 ARG N N 15 1.003 0.020 . . . . . 4267 2 130 . 1 1 156 156 PHE N N 15 0.999 0.028 . . . . . 4267 2 131 . 1 1 157 157 SER N N 15 1.033 0.021 . . . . . 4267 2 132 . 1 1 158 158 LYS N N 15 1.000 0.020 . . . . . 4267 2 133 . 1 1 159 159 SER N N 15 1.048 0.034 . . . . . 4267 2 134 . 1 1 160 160 LEU N N 15 1.009 0.020 . . . . . 4267 2 135 . 1 1 161 161 GLY N N 15 1.029 0.022 . . . . . 4267 2 136 . 1 1 162 162 LEU N N 15 1.069 0.021 . . . . . 4267 2 137 . 1 1 165 165 ASN N N 15 0.969 0.019 . . . . . 4267 2 138 . 1 1 167 167 ILE N N 15 1.060 0.029 . . . . . 4267 2 139 . 1 1 168 168 VAL N N 15 1.040 0.025 . . . . . 4267 2 140 . 1 1 169 169 PHE N N 15 1.088 0.040 . . . . . 4267 2 141 . 1 1 171 171 VAL N N 15 1.031 0.030 . . . . . 4267 2 142 . 1 1 173 173 ILE N N 15 1.142 0.057 . . . . . 4267 2 143 . 1 1 175 175 GLN N N 15 1.152 0.030 . . . . . 4267 2 144 . 1 1 176 176 CYS N N 15 1.022 0.051 . . . . . 4267 2 145 . 1 1 178 178 ASP N N 15 1.025 0.032 . . . . . 4267 2 146 . 1 1 179 179 GLY N N 15 0.984 0.021 . . . . . 4267 2 147 . 1 1 32 32 TRP NE1 N 15 1.223 0.048 . . . . . 4267 2 148 . 1 1 80 80 TRP NE1 N 15 0.918 0.037 . . . . . 4267 2 149 . 1 1 110 110 ARG NE N 15 1.470 0.074 . . . . . 4267 2 150 . 1 1 141 141 ARG NE N 15 1.129 0.056 . . . . . 4267 2 151 . 1 1 155 155 ARG NE N 15 1.745 0.087 . . . . . 4267 2 stop_ save_ save_T1_relaxation_500 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_relaxation_500 _Heteronucl_T1_list.Entry_ID 4267 _Heteronucl_T1_list.ID 3 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details ; N15 T1 relaxation data with decoupling of CSA/DD cross-relaxation, water flipback. Interleaved acquisition mode. 500 MHz. ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 4 4 SER N N 15 0.940 0.362 . . . . . 4267 3 2 . 1 1 5 5 THR N N 15 0.893 0.114 . . . . . 4267 3 3 . 1 1 6 6 SER N N 15 0.837 0.099 . . . . . 4267 3 4 . 1 1 7 7 ASP N N 15 0.704 0.052 . . . . . 4267 3 5 . 1 1 8 8 LEU N N 15 0.710 0.021 . . . . . 4267 3 6 . 1 1 9 9 ILE N N 15 0.790 0.033 . . . . . 4267 3 7 . 1 1 11 11 ALA N N 15 0.799 0.024 . . . . . 4267 3 8 . 1 1 14 14 LEU N N 15 0.785 0.024 . . . . . 4267 3 9 . 1 1 15 15 SER N N 15 0.798 0.052 . . . . . 4267 3 10 . 1 1 16 16 LYS N N 15 0.792 0.034 . . . . . 4267 3 11 . 1 1 17 17 VAL N N 15 0.844 0.025 . . . . . 4267 3 12 . 1 1 19 19 LEU N N 15 0.841 0.025 . . . . . 4267 3 13 . 1 1 20 20 GLN N N 15 0.799 0.031 . . . . . 4267 3 14 . 1 1 21 21 GLN N N 15 0.799 0.024 . . . . . 4267 3 15 . 1 1 23 23 PHE N N 15 0.872 0.032 . . . . . 4267 3 16 . 1 1 24 24 GLN N N 15 0.914 0.049 . . . . . 4267 3 17 . 1 1 25 25 ASP N N 15 0.904 0.033 . . . . . 4267 3 18 . 1 1 26 26 ASN N N 15 0.846 0.042 . . . . . 4267 3 19 . 1 1 27 27 GLN N N 15 0.854 0.026 . . . . . 4267 3 20 . 1 1 28 28 PHE N N 15 0.862 0.034 . . . . . 4267 3 21 . 1 1 29 29 GLN N N 15 0.831 0.027 . . . . . 4267 3 22 . 1 1 30 30 GLY N N 15 0.786 0.033 . . . . . 4267 3 23 . 1 1 31 31 LYS N N 15 0.832 0.028 . . . . . 4267 3 24 . 1 1 32 32 TRP N N 15 0.750 0.034 . . . . . 4267 3 25 . 1 1 33 33 TYR N N 15 0.832 0.042 . . . . . 4267 3 26 . 1 1 34 34 VAL N N 15 0.867 0.040 . . . . . 4267 3 27 . 1 1 35 35 VAL N N 15 0.839 0.045 . . . . . 4267 3 28 . 1 1 36 36 GLY N N 15 0.795 0.034 . . . . . 4267 3 29 . 1 1 37 37 LEU N N 15 0.769 0.023 . . . . . 4267 3 30 . 1 1 38 38 ALA N N 15 0.771 0.033 . . . . . 4267 3 31 . 1 1 39 39 GLY N N 15 0.859 0.044 . . . . . 4267 3 32 . 1 1 40 40 ASN N N 15 0.921 0.054 . . . . . 4267 3 33 . 1 1 41 41 ALA N N 15 0.823 0.077 . . . . . 4267 3 34 . 1 1 43 43 LEU N N 15 0.732 0.047 . . . . . 4267 3 35 . 1 1 46 46 ASP N N 15 0.771 0.166 . . . . . 4267 3 36 . 1 1 48 48 ASP N N 15 0.803 0.038 . . . . . 4267 3 37 . 1 1 52 52 MET N N 15 0.818 0.066 . . . . . 4267 3 38 . 1 1 53 53 TYR N N 15 0.874 0.204 . . . . . 4267 3 39 . 1 1 54 54 ALA N N 15 0.883 0.040 . . . . . 4267 3 40 . 1 1 55 55 THR N N 15 0.871 0.042 . . . . . 4267 3 41 . 1 1 56 56 ILE N N 15 0.855 0.056 . . . . . 4267 3 42 . 1 1 57 57 TYR N N 15 0.829 0.039 . . . . . 4267 3 43 . 1 1 58 58 GLU N N 15 0.855 0.029 . . . . . 4267 3 44 . 1 1 60 60 LYS N N 15 0.793 0.025 . . . . . 4267 3 45 . 1 1 61 61 GLU N N 15 0.899 0.108 . . . . . 4267 3 46 . 1 1 62 62 ASP N N 15 0.854 0.032 . . . . . 4267 3 47 . 1 1 63 63 LYS N N 15 0.805 0.024 . . . . . 4267 3 48 . 1 1 64 64 SER N N 15 0.834 0.025 . . . . . 4267 3 49 . 1 1 65 65 TYR N N 15 0.820 0.034 . . . . . 4267 3 50 . 1 1 66 66 ASN N N 15 0.777 0.025 . . . . . 4267 3 51 . 1 1 67 67 VAL N N 15 0.854 0.041 . . . . . 4267 3 52 . 1 1 68 68 THR N N 15 0.840 0.040 . . . . . 4267 3 53 . 1 1 69 69 SER N N 15 0.905 0.070 . . . . . 4267 3 54 . 1 1 71 71 LEU N N 15 0.901 0.038 . . . . . 4267 3 55 . 1 1 73 73 ARG N N 15 0.818 0.026 . . . . . 4267 3 56 . 1 1 76 76 LYS N N 15 0.796 0.029 . . . . . 4267 3 57 . 1 1 77 77 CYS N N 15 0.832 0.039 . . . . . 4267 3 58 . 1 1 78 78 ASP N N 15 0.850 0.042 . . . . . 4267 3 59 . 1 1 79 79 TYR N N 15 0.923 0.031 . . . . . 4267 3 60 . 1 1 80 80 TRP N N 15 0.823 0.034 . . . . . 4267 3 61 . 1 1 82 82 ARG N N 15 0.913 0.062 . . . . . 4267 3 62 . 1 1 83 83 THR N N 15 0.878 0.029 . . . . . 4267 3 63 . 1 1 84 84 PHE N N 15 0.806 0.056 . . . . . 4267 3 64 . 1 1 87 87 GLY N N 15 0.865 0.061 . . . . . 4267 3 65 . 1 1 88 88 CYS N N 15 0.812 0.029 . . . . . 4267 3 66 . 1 1 89 89 GLN N N 15 0.815 0.027 . . . . . 4267 3 67 . 1 1 92 92 GLU N N 15 0.781 0.023 . . . . . 4267 3 68 . 1 1 93 93 PHE N N 15 0.834 0.040 . . . . . 4267 3 69 . 1 1 94 94 THR N N 15 0.809 0.027 . . . . . 4267 3 70 . 1 1 95 95 LEU N N 15 0.868 0.026 . . . . . 4267 3 71 . 1 1 96 96 GLY N N 15 0.816 0.056 . . . . . 4267 3 72 . 1 1 97 97 ASN N N 15 0.827 0.134 . . . . . 4267 3 73 . 1 1 98 98 ILE N N 15 0.840 0.027 . . . . . 4267 3 74 . 1 1 99 99 LYS N N 15 0.786 0.024 . . . . . 4267 3 75 . 1 1 100 100 SER N N 15 0.816 0.029 . . . . . 4267 3 76 . 1 1 101 101 TYR N N 15 0.856 0.028 . . . . . 4267 3 77 . 1 1 104 104 LEU N N 15 0.841 0.027 . . . . . 4267 3 78 . 1 1 105 105 THR N N 15 0.879 0.061 . . . . . 4267 3 79 . 1 1 106 106 SER N N 15 0.851 0.029 . . . . . 4267 3 80 . 1 1 107 107 TYR N N 15 0.828 0.025 . . . . . 4267 3 81 . 1 1 108 108 LEU N N 15 0.790 0.024 . . . . . 4267 3 82 . 1 1 109 109 VAL N N 15 0.859 0.026 . . . . . 4267 3 83 . 1 1 110 110 ARG N N 15 0.809 0.035 . . . . . 4267 3 84 . 1 1 112 112 VAL N N 15 0.759 0.036 . . . . . 4267 3 85 . 1 1 113 113 SER N N 15 0.808 0.024 . . . . . 4267 3 86 . 1 1 115 115 ASN N N 15 0.789 0.047 . . . . . 4267 3 87 . 1 1 116 116 TYR N N 15 0.766 0.024 . . . . . 4267 3 88 . 1 1 117 117 ASN N N 15 0.817 0.028 . . . . . 4267 3 89 . 1 1 118 118 GLN N N 15 0.813 0.028 . . . . . 4267 3 90 . 1 1 119 119 HIS N N 15 0.849 0.037 . . . . . 4267 3 91 . 1 1 120 120 ALA N N 15 0.842 0.032 . . . . . 4267 3 92 . 1 1 122 122 VAL N N 15 0.823 0.056 . . . . . 4267 3 93 . 1 1 123 123 PHE N N 15 0.816 0.026 . . . . . 4267 3 94 . 1 1 124 124 PHE N N 15 0.821 0.025 . . . . . 4267 3 95 . 1 1 125 125 LYS N N 15 0.804 0.024 . . . . . 4267 3 96 . 1 1 127 127 VAL N N 15 0.810 0.026 . . . . . 4267 3 97 . 1 1 128 128 SER N N 15 0.863 0.040 . . . . . 4267 3 98 . 1 1 129 129 GLN N N 15 0.774 0.066 . . . . . 4267 3 99 . 1 1 130 130 ASN N N 15 0.813 0.043 . . . . . 4267 3 100 . 1 1 131 131 ARG N N 15 0.868 0.026 . . . . . 4267 3 101 . 1 1 132 132 GLU N N 15 0.829 0.025 . . . . . 4267 3 102 . 1 1 133 133 TYR N N 15 0.818 0.033 . . . . . 4267 3 103 . 1 1 134 134 PHE N N 15 0.776 0.023 . . . . . 4267 3 104 . 1 1 135 135 LYS N N 15 0.806 0.024 . . . . . 4267 3 105 . 1 1 136 136 ILE N N 15 0.769 0.023 . . . . . 4267 3 106 . 1 1 137 137 THR N N 15 0.859 0.043 . . . . . 4267 3 107 . 1 1 138 138 LEU N N 15 0.823 0.025 . . . . . 4267 3 108 . 1 1 139 139 TYR N N 15 0.810 0.040 . . . . . 4267 3 109 . 1 1 140 140 GLY N N 15 0.761 0.037 . . . . . 4267 3 110 . 1 1 141 141 ARG N N 15 0.855 0.041 . . . . . 4267 3 111 . 1 1 142 142 THR N N 15 0.821 0.030 . . . . . 4267 3 112 . 1 1 143 143 LYS N N 15 0.900 0.060 . . . . . 4267 3 113 . 1 1 144 144 GLU N N 15 0.899 0.027 . . . . . 4267 3 114 . 1 1 146 146 THR N N 15 0.969 0.042 . . . . . 4267 3 115 . 1 1 148 148 GLU N N 15 0.799 0.050 . . . . . 4267 3 116 . 1 1 150 150 LYS N N 15 0.787 0.024 . . . . . 4267 3 117 . 1 1 151 151 GLU N N 15 0.799 0.024 . . . . . 4267 3 118 . 1 1 152 152 ASN N N 15 0.773 0.023 . . . . . 4267 3 119 . 1 1 153 153 PHE N N 15 0.765 0.057 . . . . . 4267 3 120 . 1 1 154 154 ILE N N 15 0.777 0.023 . . . . . 4267 3 121 . 1 1 155 155 ARG N N 15 0.776 0.023 . . . . . 4267 3 122 . 1 1 156 156 PHE N N 15 0.796 0.024 . . . . . 4267 3 123 . 1 1 157 157 SER N N 15 0.799 0.024 . . . . . 4267 3 124 . 1 1 158 158 LYS N N 15 0.776 0.026 . . . . . 4267 3 125 . 1 1 159 159 SER N N 15 0.865 0.038 . . . . . 4267 3 126 . 1 1 160 160 LEU N N 15 0.820 0.028 . . . . . 4267 3 127 . 1 1 161 161 GLY N N 15 0.787 0.024 . . . . . 4267 3 128 . 1 1 162 162 LEU N N 15 0.806 0.024 . . . . . 4267 3 129 . 1 1 165 165 ASN N N 15 0.742 0.032 . . . . . 4267 3 130 . 1 1 167 167 ILE N N 15 0.831 0.034 . . . . . 4267 3 131 . 1 1 168 168 VAL N N 15 0.821 0.025 . . . . . 4267 3 132 . 1 1 169 169 PHE N N 15 0.921 0.033 . . . . . 4267 3 133 . 1 1 171 171 VAL N N 15 0.808 0.028 . . . . . 4267 3 134 . 1 1 173 173 ILE N N 15 0.832 0.149 . . . . . 4267 3 135 . 1 1 175 175 GLN N N 15 1.052 0.061 . . . . . 4267 3 136 . 1 1 176 176 CYS N N 15 0.949 0.122 . . . . . 4267 3 137 . 1 1 178 178 ASP N N 15 0.871 0.044 . . . . . 4267 3 138 . 1 1 179 179 GLY N N 15 0.910 0.032 . . . . . 4267 3 139 . 1 1 32 32 TRP NE1 N 15 0.924 0.028 . . . . . 4267 3 140 . 1 1 80 80 TRP NE1 N 15 0.694 0.035 . . . . . 4267 3 141 . 1 1 110 110 ARG NE N 15 1.078 0.081 . . . . . 4267 3 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_relaxation_750 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_relaxation_750 _Heteronucl_T2_list.Entry_ID 4267 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 750 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details ; N15 T2 relaxation data with decoupling of CSA/DD cross-relaxation, water flipback. Interleaved acquisition mode. 750 MHz. CPMG echo delay delta=0.45 ms. Rex contributions also given where appropriate. ; _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ASP N N 15 0.2828 0.0077 . . . . . . . 4267 1 2 . 1 1 4 4 SER N N 15 0.2600 0.0055 . . . . . . . 4267 1 3 . 1 1 5 5 THR N N 15 0.2160 0.0043 . . . . . . . 4267 1 4 . 1 1 6 6 SER N N 15 0.1721 0.0034 . . . . . . . 4267 1 5 . 1 1 7 7 ASP N N 15 0.1593 0.0032 . . . . . . . 4267 1 6 . 1 1 8 8 LEU N N 15 0.1007 0.0020 . . . . . . . 4267 1 7 . 1 1 9 9 ILE N N 15 0.0599 0.0021 . . . . . . . 4267 1 8 . 1 1 11 11 ALA N N 15 0.0546 0.0011 . . . . . . . 4267 1 9 . 1 1 14 14 LEU N N 15 0.0645 0.0018 . . . . . . . 4267 1 10 . 1 1 15 15 SER N N 15 0.0510 0.0020 . . . . . . . 4267 1 11 . 1 1 16 16 LYS N N 15 0.0536 0.0015 . . . . . . . 4267 1 12 . 1 1 17 17 VAL N N 15 0.0531 0.0011 . . . . . . . 4267 1 13 . 1 1 19 19 LEU N N 15 0.0606 0.0012 . . . . . . . 4267 1 14 . 1 1 20 20 GLN N N 15 0.0530 0.0015 . . . . . . . 4267 1 15 . 1 1 21 21 GLN N N 15 0.0541 0.0015 . . . . . . . 4267 1 16 . 1 1 22 22 ASN N N 15 0.0549 0.0011 . . . . . . . 4267 1 17 . 1 1 23 23 PHE N N 15 0.0540 0.0011 . . . . . . . 4267 1 18 . 1 1 24 24 GLN N N 15 0.0573 0.0012 . . . . . . . 4267 1 19 . 1 1 25 25 ASP N N 15 0.0586 0.0012 . . . . . . . 4267 1 20 . 1 1 26 26 ASN N N 15 0.0521 0.0010 . . . . . . . 4267 1 21 . 1 1 27 27 GLN N N 15 0.0577 0.0012 . . . . . . . 4267 1 22 . 1 1 28 28 PHE N N 15 0.0509 0.0010 1.23 0.55 . . . . . 4267 1 23 . 1 1 29 29 GLN N N 15 0.0552 0.0011 . . . . . . . 4267 1 24 . 1 1 30 30 GLY N N 15 0.0537 0.0011 . . . . . . . 4267 1 25 . 1 1 31 31 LYS N N 15 0.0508 0.0010 . . . . . . . 4267 1 26 . 1 1 32 32 TRP N N 15 0.0541 0.0011 . . . . . . . 4267 1 27 . 1 1 33 33 TYR N N 15 0.0535 0.0011 . . . . . . . 4267 1 28 . 1 1 34 34 VAL N N 15 0.0524 0.0011 2.10 0.80 . . . . . 4267 1 29 . 1 1 35 35 VAL N N 15 0.0451 0.0015 4.13 1.34 . . . . . 4267 1 30 . 1 1 36 36 GLY N N 15 0.0594 0.0019 . . . . . . . 4267 1 31 . 1 1 37 37 LEU N N 15 0.0497 0.0010 . . . . . . . 4267 1 32 . 1 1 38 38 ALA N N 15 0.0506 0.0010 . . . . . . . 4267 1 33 . 1 1 39 39 GLY N N 15 0.0539 0.0011 . . . . . . . 4267 1 34 . 1 1 40 40 ASN N N 15 0.0481 0.0010 2.99 0.77 . . . . . 4267 1 35 . 1 1 41 41 ALA N N 15 0.0541 0.0013 . . . . . . . 4267 1 36 . 1 1 42 42 ILE N N 15 0.0326 0.0013 8.73 1.14 . . . . . 4267 1 37 . 1 1 43 43 LEU N N 15 0.0353 0.0011 8.71 1.30 . . . . . 4267 1 38 . 1 1 46 46 ASP N N 15 0.0509 0.0043 1.27 1.15 . . . . . 4267 1 39 . 1 1 48 48 ASP N N 15 0.0534 0.0011 . . . . . . . 4267 1 40 . 1 1 52 52 MET N N 15 0.0366 0.0037 8.84 2.19 . . . . . 4267 1 41 . 1 1 53 53 TYR N N 15 0.0380 0.0026 9.14 2.48 . . . . . 4267 1 42 . 1 1 54 54 ALA N N 15 0.0490 0.0013 . . . . . . . 4267 1 43 . 1 1 55 55 THR N N 15 0.0541 0.0011 . . . . . . . 4267 1 44 . 1 1 56 56 ILE N N 15 0.0539 0.0025 . . . . . . . 4267 1 45 . 1 1 57 57 TYR N N 15 0.0594 0.0017 . . . . . . . 4267 1 46 . 1 1 58 58 GLU N N 15 0.0578 0.0012 . . . . . . . 4267 1 47 . 1 1 60 60 LYS N N 15 0.0549 0.0011 . . . . . . . 4267 1 48 . 1 1 61 61 GLU N N 15 0.0565 0.0011 . . . . . . . 4267 1 49 . 1 1 62 62 ASP N N 15 0.0568 0.0011 . . . . . . . 4267 1 50 . 1 1 63 63 LYS N N 15 0.0509 0.0016 . . . . . . . 4267 1 51 . 1 1 64 64 SER N N 15 0.0557 0.0011 . . . . . . . 4267 1 52 . 1 1 65 65 TYR N N 15 0.0559 0.0011 . . . . . . . 4267 1 53 . 1 1 66 66 ASN N N 15 0.0546 0.0011 . . . . . . . 4267 1 54 . 1 1 67 67 VAL N N 15 0.0547 0.0011 . . . . . . . 4267 1 55 . 1 1 68 68 THR N N 15 0.0520 0.0014 . . . . . . . 4267 1 56 . 1 1 69 69 SER N N 15 0.0533 0.0018 . . . . . . . 4267 1 57 . 1 1 71 71 LEU N N 15 0.0621 0.0029 . . . . . . . 4267 1 58 . 1 1 73 73 ARG N N 15 0.0565 0.0011 . . . . . . . 4267 1 59 . 1 1 74 74 LYS N N 15 0.0550 0.0024 . . . . . . . 4267 1 60 . 1 1 75 75 LYS N N 15 0.0530 0.0014 . . . . . . . 4267 1 61 . 1 1 76 76 LYS N N 15 0.0556 0.0011 . . . . . . . 4267 1 62 . 1 1 77 77 CYS N N 15 0.0383 0.0010 7.67 0.74 . . . . . 4267 1 63 . 1 1 78 78 ASP N N 15 0.0513 0.0012 1.53 0.84 . . . . . 4267 1 64 . 1 1 79 79 TYR N N 15 0.0493 0.0010 2.97 0.67 . . . . . 4267 1 65 . 1 1 80 80 TRP N N 15 0.0472 0.0013 3.06 0.82 . . . . . 4267 1 66 . 1 1 82 82 ARG N N 15 0.0524 0.0017 . . . . . . . 4267 1 67 . 1 1 83 83 THR N N 15 0.0566 0.0011 . . . . . . . 4267 1 68 . 1 1 84 84 PHE N N 15 0.0545 0.0011 . . . . . . . 4267 1 69 . 1 1 87 87 GLY N N 15 0.0614 0.0038 . . . . . . . 4267 1 70 . 1 1 88 88 CYS N N 15 0.0520 0.0010 2.43 0.80 . . . . . 4267 1 71 . 1 1 89 89 GLN N N 15 0.0650 0.0013 . . . . . . . 4267 1 72 . 1 1 92 92 GLU N N 15 0.0494 0.0010 . . . . . . . 4267 1 73 . 1 1 93 93 PHE N N 15 0.0559 0.0011 . . . . . . . 4267 1 74 . 1 1 94 94 THR N N 15 0.0532 0.0011 . . . . . . . 4267 1 75 . 1 1 95 95 LEU N N 15 0.0576 0.0012 . . . . . . . 4267 1 76 . 1 1 96 96 GLY N N 15 0.0529 0.0019 . . . . . . . 4267 1 77 . 1 1 97 97 ASN N N 15 0.0558 0.0011 . . . . . . . 4267 1 78 . 1 1 98 98 ILE N N 15 0.0525 0.0011 . . . . . . . 4267 1 79 . 1 1 99 99 LYS N N 15 0.0516 0.0010 . . . . . . . 4267 1 80 . 1 1 100 100 SER N N 15 0.0567 0.0011 . . . . . . . 4267 1 81 . 1 1 101 101 TYR N N 15 0.0545 0.0011 . . . . . . . 4267 1 82 . 1 1 103 103 GLY N N 15 0.0651 0.0013 . . . . . . . 4267 1 83 . 1 1 104 104 LEU N N 15 0.0542 0.0011 . . . . . . . 4267 1 84 . 1 1 105 105 THR N N 15 0.0515 0.0013 . . . . . . . 4267 1 85 . 1 1 106 106 SER N N 15 0.0561 0.0011 . . . . . . . 4267 1 86 . 1 1 107 107 TYR N N 15 0.0553 0.0011 . . . . . . . 4267 1 87 . 1 1 108 108 LEU N N 15 0.0521 0.0010 . . . . . . . 4267 1 88 . 1 1 109 109 VAL N N 15 0.0537 0.0011 . . . . . . . 4267 1 89 . 1 1 110 110 ARG N N 15 0.0538 0.0011 . . . . . . . 4267 1 90 . 1 1 112 112 VAL N N 15 0.0517 0.0010 . . . . . . . 4267 1 91 . 1 1 113 113 SER N N 15 0.0530 0.0011 . . . . . . . 4267 1 92 . 1 1 114 114 THR N N 15 0.0495 0.0010 . . . . . . . 4267 1 93 . 1 1 115 115 ASN N N 15 0.0487 0.0010 2.31 0.66 . . . . . 4267 1 94 . 1 1 116 116 TYR N N 15 0.0539 0.0014 . . . . . . . 4267 1 95 . 1 1 117 117 ASN N N 15 0.0517 0.0010 1.14 0.77 . . . . . 4267 1 96 . 1 1 118 118 GLN N N 15 0.0509 0.0010 . . . . . . . 4267 1 97 . 1 1 119 119 HIS N N 15 0.0488 0.0010 1.56 0.69 . . . . . 4267 1 98 . 1 1 120 120 ALA N N 15 0.0494 0.0010 . . . . . . . 4267 1 99 . 1 1 122 122 VAL N N 15 0.0539 0.0011 . . . . . . . 4267 1 100 . 1 1 123 123 PHE N N 15 0.0508 0.0024 1.14 0.99 . . . . . 4267 1 101 . 1 1 124 124 PHE N N 15 0.0535 0.0012 . . . . . . . 4267 1 102 . 1 1 125 125 LYS N N 15 0.0514 0.0010 . . . . . . . 4267 1 103 . 1 1 127 127 VAL N N 15 0.0503 0.0010 . . . . . . . 4267 1 104 . 1 1 128 128 SER N N 15 0.0522 0.0011 . . . . . . . 4267 1 105 . 1 1 129 129 GLN N N 15 0.0535 0.0011 . . . . . . . 4267 1 106 . 1 1 130 130 ASN N N 15 0.0481 0.0010 3.10 1.35 . . . . . 4267 1 107 . 1 1 131 131 ARG N N 15 0.0579 0.0012 . . . . . . . 4267 1 108 . 1 1 132 132 GLU N N 15 0.0553 0.0011 . . . . . . . 4267 1 109 . 1 1 133 133 TYR N N 15 0.0565 0.0011 . . . . . . . 4267 1 110 . 1 1 134 134 PHE N N 15 0.0545 0.0011 . . . . . . . 4267 1 111 . 1 1 135 135 LYS N N 15 0.0496 0.0010 1.57 0.91 . . . . . 4267 1 112 . 1 1 136 136 ILE N N 15 0.0502 0.0010 1.21 0.87 . . . . . 4267 1 113 . 1 1 137 137 THR N N 15 0.0384 0.0009 7.37 0.95 . . . . . 4267 1 114 . 1 1 138 138 LEU N N 15 0.0529 0.0014 . . . . . . . 4267 1 115 . 1 1 139 139 TYR N N 15 0.0547 0.0011 . . . . . . . 4267 1 116 . 1 1 140 140 GLY N N 15 0.0548 0.0013 . . . . . . . 4267 1 117 . 1 1 141 141 ARG N N 15 0.0530 0.0011 . . . . . . . 4267 1 118 . 1 1 142 142 THR N N 15 0.0503 0.0010 . . . . . . . 4267 1 119 . 1 1 143 143 LYS N N 15 0.0581 0.0012 . . . . . . . 4267 1 120 . 1 1 144 144 GLU N N 15 0.0553 0.0011 1.84 0.81 . . . . . 4267 1 121 . 1 1 145 145 LEU N N 15 0.0314 0.0019 17.47 1.77 . . . . . 4267 1 122 . 1 1 146 146 THR N N 15 0.0628 0.0013 3.02 0.98 . . . . . 4267 1 123 . 1 1 147 147 SER N N 15 0.0564 0.0015 . . . . . . . 4267 1 124 . 1 1 148 148 GLU N N 15 0.0508 0.0010 . . . . . . . 4267 1 125 . 1 1 150 150 LYS N N 15 0.0532 0.0011 . . . . . . . 4267 1 126 . 1 1 151 151 GLU N N 15 0.0518 0.0010 . . . . . . . 4267 1 127 . 1 1 152 152 ASN N N 15 0.0517 0.0010 . . . . . . . 4267 1 128 . 1 1 153 153 PHE N N 15 0.0528 0.0011 . . . . . . . 4267 1 129 . 1 1 154 154 ILE N N 15 0.0508 0.0010 . . . . . . . 4267 1 130 . 1 1 155 155 ARG N N 15 0.0508 0.0010 . . . . . . . 4267 1 131 . 1 1 156 156 PHE N N 15 0.0499 0.0010 . . . . . . . 4267 1 132 . 1 1 157 157 SER N N 15 0.0509 0.0010 . . . . . . . 4267 1 133 . 1 1 158 158 LYS N N 15 0.0492 0.0010 . . . . . . . 4267 1 134 . 1 1 159 159 SER N N 15 0.0508 0.0010 1.33 0.52 . . . . . 4267 1 135 . 1 1 160 160 LEU N N 15 0.0510 0.0010 . . . . . . . 4267 1 136 . 1 1 161 161 GLY N N 15 0.0546 0.0011 . . . . . . . 4267 1 137 . 1 1 162 162 LEU N N 15 0.0503 0.0010 1.36 0.70 . . . . . 4267 1 138 . 1 1 165 165 ASN N N 15 0.0575 0.0013 . . . . . . . 4267 1 139 . 1 1 167 167 ILE N N 15 0.0514 0.0010 0.85 0.68 . . . . . 4267 1 140 . 1 1 168 168 VAL N N 15 0.0491 0.0010 1.69 0.61 . . . . . 4267 1 141 . 1 1 169 169 PHE N N 15 0.0529 0.0011 . . . . . . . 4267 1 142 . 1 1 171 171 VAL N N 15 0.0486 0.0010 2.73 1.14 . . . . . 4267 1 143 . 1 1 173 173 ILE N N 15 0.0319 0.0038 20.67 2.70 . . . . . 4267 1 144 . 1 1 175 175 GLN N N 15 0.0625 0.0013 . . . . . . . 4267 1 145 . 1 1 176 176 CYS N N 15 0.0320 0.0027 16.19 1.23 . . . . . 4267 1 146 . 1 1 178 178 ASP N N 15 0.0420 0.0008 5.29 0.75 . . . . . 4267 1 147 . 1 1 179 179 GLY N N 15 0.1281 0.0026 . . . . . . . 4267 1 148 . 1 1 32 32 TRP NE1 N 15 0.0624 0.0013 . . . . . . . 4267 1 149 . 1 1 80 80 TRP NE1 N 15 0.0889 0.0018 . . . . . . . 4267 1 150 . 1 1 110 110 ARG NE N 15 0.1160 0.0271 . . . . . . . 4267 1 151 . 1 1 141 141 ARG NE N 15 0.0825 0.0253 . . . . . . . 4267 1 152 . 1 1 155 155 ARG NE N 15 0.3721 0.0347 . . . . . . . 4267 1 stop_ save_ save_T2_relaxation_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_relaxation_600 _Heteronucl_T2_list.Entry_ID 4267 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details ; N15 T2 relaxation data with decoupling of CSA/DD cross-relaxation, water flipback. Interleaved acquisition mode. 600 MHz. CPMG echo delay delta=0.45 ms ; _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ASP N N 15 0.3273 0.0085 . . . . . . . 4267 2 2 . 1 1 4 4 SER N N 15 0.2808 0.0067 . . . . . . . 4267 2 3 . 1 1 5 5 THR N N 15 0.2306 0.0071 . . . . . . . 4267 2 4 . 1 1 6 6 SER N N 15 0.1978 0.0040 . . . . . . . 4267 2 5 . 1 1 7 7 ASP N N 15 0.1748 0.0035 . . . . . . . 4267 2 6 . 1 1 8 8 LEU N N 15 0.1122 0.0022 . . . . . . . 4267 2 7 . 1 1 9 9 ILE N N 15 0.0705 0.0014 . . . . . . . 4267 2 8 . 1 1 11 11 ALA N N 15 0.0624 0.0013 . . . . . . . 4267 2 9 . 1 1 14 14 LEU N N 15 0.0634 0.0013 . . . . . . . 4267 2 10 . 1 1 15 15 SER N N 15 0.0566 0.0020 . . . . . . . 4267 2 11 . 1 1 16 16 LYS N N 15 0.0582 0.0012 . . . . . . . 4267 2 12 . 1 1 17 17 VAL N N 15 0.0590 0.0012 . . . . . . . 4267 2 13 . 1 1 19 19 LEU N N 15 0.0657 0.0013 . . . . . . . 4267 2 14 . 1 1 20 20 GLN N N 15 0.0596 0.0012 . . . . . . . 4267 2 15 . 1 1 21 21 GLN N N 15 0.0613 0.0014 . . . . . . . 4267 2 16 . 1 1 22 22 ASN N N 15 0.0611 0.0013 . . . . . . . 4267 2 17 . 1 1 23 23 PHE N N 15 0.0595 0.0012 . . . . . . . 4267 2 18 . 1 1 24 24 GLN N N 15 0.0622 0.0020 . . . . . . . 4267 2 19 . 1 1 25 25 ASP N N 15 0.0616 0.0013 . . . . . . . 4267 2 20 . 1 1 26 26 ASN N N 15 0.0578 0.0012 . . . . . . . 4267 2 21 . 1 1 27 27 GLN N N 15 0.0633 0.0013 . . . . . . . 4267 2 22 . 1 1 28 28 PHE N N 15 0.0576 0.0012 . . . . . . . 4267 2 23 . 1 1 29 29 GLN N N 15 0.0605 0.0012 . . . . . . . 4267 2 24 . 1 1 30 30 GLY N N 15 0.0606 0.0019 . . . . . . . 4267 2 25 . 1 1 31 31 LYS N N 15 0.0601 0.0012 . . . . . . . 4267 2 26 . 1 1 32 32 TRP N N 15 0.0597 0.0019 . . . . . . . 4267 2 27 . 1 1 33 33 TYR N N 15 0.0555 0.0011 . . . . . . . 4267 2 28 . 1 1 34 34 VAL N N 15 0.0589 0.0017 . . . . . . . 4267 2 29 . 1 1 35 35 VAL N N 15 0.0506 0.0041 . . . . . . . 4267 2 30 . 1 1 36 36 GLY N N 15 0.0856 0.0052 . . . . . . . 4267 2 31 . 1 1 37 37 LEU N N 15 0.0580 0.0012 . . . . . . . 4267 2 32 . 1 1 38 38 ALA N N 15 0.0544 0.0011 . . . . . . . 4267 2 33 . 1 1 39 39 GLY N N 15 0.0577 0.0018 . . . . . . . 4267 2 34 . 1 1 40 40 ASN N N 15 0.0548 0.0011 . . . . . . . 4267 2 35 . 1 1 41 41 ALA N N 15 0.0575 0.0012 . . . . . . . 4267 2 36 . 1 1 42 42 ILE N N 15 0.0470 0.0009 . . . . . . . 4267 2 37 . 1 1 43 43 LEU N N 15 0.0502 0.0012 . . . . . . . 4267 2 38 . 1 1 46 46 ASP N N 15 0.0740 0.0025 . . . . . . . 4267 2 39 . 1 1 48 48 ASP N N 15 0.0643 0.0019 . . . . . . . 4267 2 40 . 1 1 52 52 MET N N 15 0.0463 0.0037 . . . . . . . 4267 2 41 . 1 1 53 53 TYR N N 15 0.0451 0.0030 . . . . . . . 4267 2 42 . 1 1 54 54 ALA N N 15 0.0570 0.0011 . . . . . . . 4267 2 43 . 1 1 55 55 THR N N 15 0.0574 0.0029 . . . . . . . 4267 2 44 . 1 1 56 56 ILE N N 15 0.0554 0.0015 . . . . . . . 4267 2 45 . 1 1 57 57 TYR N N 15 0.0613 0.0012 . . . . . . . 4267 2 46 . 1 1 58 58 GLU N N 15 0.0611 0.0026 . . . . . . . 4267 2 47 . 1 1 60 60 LYS N N 15 0.0594 0.0020 . . . . . . . 4267 2 48 . 1 1 61 61 GLU N N 15 0.0613 0.0012 . . . . . . . 4267 2 49 . 1 1 62 62 ASP N N 15 0.0616 0.0012 . . . . . . . 4267 2 50 . 1 1 63 63 LYS N N 15 0.0587 0.0012 . . . . . . . 4267 2 51 . 1 1 64 64 SER N N 15 0.0621 0.0015 . . . . . . . 4267 2 52 . 1 1 65 65 TYR N N 15 0.0603 0.0018 . . . . . . . 4267 2 53 . 1 1 66 66 ASN N N 15 0.0586 0.0012 . . . . . . . 4267 2 54 . 1 1 67 67 VAL N N 15 0.0613 0.0014 . . . . . . . 4267 2 55 . 1 1 68 68 THR N N 15 0.0574 0.0012 . . . . . . . 4267 2 56 . 1 1 69 69 SER N N 15 0.0601 0.0031 . . . . . . . 4267 2 57 . 1 1 71 71 LEU N N 15 0.0617 0.0017 . . . . . . . 4267 2 58 . 1 1 73 73 ARG N N 15 0.0614 0.0016 . . . . . . . 4267 2 59 . 1 1 74 74 LYS N N 15 0.0628 0.0015 . . . . . . . 4267 2 60 . 1 1 75 75 LYS N N 15 0.0609 0.0026 . . . . . . . 4267 2 61 . 1 1 76 76 LYS N N 15 0.0618 0.0012 . . . . . . . 4267 2 62 . 1 1 77 77 CYS N N 15 0.0465 0.0012 . . . . . . . 4267 2 63 . 1 1 78 78 ASP N N 15 0.0554 0.0011 . . . . . . . 4267 2 64 . 1 1 79 79 TYR N N 15 0.0545 0.0011 . . . . . . . 4267 2 65 . 1 1 80 80 TRP N N 15 0.0563 0.0011 . . . . . . . 4267 2 66 . 1 1 82 82 ARG N N 15 0.0565 0.0020 . . . . . . . 4267 2 67 . 1 1 83 83 THR N N 15 0.0627 0.0013 . . . . . . . 4267 2 68 . 1 1 84 84 PHE N N 15 0.0620 0.0015 . . . . . . . 4267 2 69 . 1 1 87 87 GLY N N 15 0.0677 0.0019 . . . . . . . 4267 2 70 . 1 1 88 88 CYS N N 15 0.0597 0.0012 . . . . . . . 4267 2 71 . 1 1 89 89 GLN N N 15 0.0712 0.0014 . . . . . . . 4267 2 72 . 1 1 92 92 GLU N N 15 0.0560 0.0014 . . . . . . . 4267 2 73 . 1 1 93 93 PHE N N 15 0.0618 0.0012 . . . . . . . 4267 2 74 . 1 1 94 94 THR N N 15 0.0590 0.0012 . . . . . . . 4267 2 75 . 1 1 95 95 LEU N N 15 0.0579 0.0013 . . . . . . . 4267 2 76 . 1 1 96 96 GLY N N 15 0.0567 0.0011 . . . . . . . 4267 2 77 . 1 1 97 97 ASN N N 15 0.0610 0.0012 . . . . . . . 4267 2 78 . 1 1 98 98 ILE N N 15 0.0579 0.0013 . . . . . . . 4267 2 79 . 1 1 99 99 LYS N N 15 0.0577 0.0012 . . . . . . . 4267 2 80 . 1 1 100 100 SER N N 15 0.0632 0.0013 . . . . . . . 4267 2 81 . 1 1 101 101 TYR N N 15 0.0590 0.0012 . . . . . . . 4267 2 82 . 1 1 103 103 GLY N N 15 0.0717 0.0014 . . . . . . . 4267 2 83 . 1 1 104 104 LEU N N 15 0.0600 0.0012 . . . . . . . 4267 2 84 . 1 1 105 105 THR N N 15 0.0547 0.0012 . . . . . . . 4267 2 85 . 1 1 106 106 SER N N 15 0.0621 0.0012 . . . . . . . 4267 2 86 . 1 1 107 107 TYR N N 15 0.0620 0.0012 . . . . . . . 4267 2 87 . 1 1 108 108 LEU N N 15 0.0599 0.0012 . . . . . . . 4267 2 88 . 1 1 109 109 VAL N N 15 0.0605 0.0015 . . . . . . . 4267 2 89 . 1 1 110 110 ARG N N 15 0.0586 0.0012 . . . . . . . 4267 2 90 . 1 1 112 112 VAL N N 15 0.0594 0.0013 . . . . . . . 4267 2 91 . 1 1 113 113 SER N N 15 0.0590 0.0012 . . . . . . . 4267 2 92 . 1 1 115 115 ASN N N 15 0.0543 0.0018 . . . . . . . 4267 2 93 . 1 1 116 116 TYR N N 15 0.0581 0.0028 . . . . . . . 4267 2 94 . 1 1 117 117 ASN N N 15 0.0583 0.0012 . . . . . . . 4267 2 95 . 1 1 118 118 GLN N N 15 0.0592 0.0012 . . . . . . . 4267 2 96 . 1 1 119 119 HIS N N 15 0.0576 0.0012 . . . . . . . 4267 2 97 . 1 1 120 120 ALA N N 15 0.0576 0.0012 . . . . . . . 4267 2 98 . 1 1 122 122 VAL N N 15 0.0589 0.0012 . . . . . . . 4267 2 99 . 1 1 123 123 PHE N N 15 0.0570 0.0019 . . . . . . . 4267 2 100 . 1 1 124 124 PHE N N 15 0.0579 0.0012 . . . . . . . 4267 2 101 . 1 1 125 125 LYS N N 15 0.0552 0.0017 . . . . . . . 4267 2 102 . 1 1 127 127 VAL N N 15 0.0610 0.0017 . . . . . . . 4267 2 103 . 1 1 128 128 SER N N 15 0.0557 0.0011 . . . . . . . 4267 2 104 . 1 1 129 129 GLN N N 15 0.0588 0.0012 . . . . . . . 4267 2 105 . 1 1 130 130 ASN N N 15 0.0570 0.0016 . . . . . . . 4267 2 106 . 1 1 131 131 ARG N N 15 0.0648 0.0013 . . . . . . . 4267 2 107 . 1 1 132 132 GLU N N 15 0.0626 0.0013 . . . . . . . 4267 2 108 . 1 1 133 133 TYR N N 15 0.0583 0.0012 . . . . . . . 4267 2 109 . 1 1 134 134 PHE N N 15 0.0602 0.0012 . . . . . . . 4267 2 110 . 1 1 135 135 LYS N N 15 0.0566 0.0011 . . . . . . . 4267 2 111 . 1 1 136 136 ILE N N 15 0.0558 0.0011 . . . . . . . 4267 2 112 . 1 1 137 137 THR N N 15 0.0471 0.0012 . . . . . . . 4267 2 113 . 1 1 138 138 LEU N N 15 0.0558 0.0018 . . . . . . . 4267 2 114 . 1 1 139 139 TYR N N 15 0.0566 0.0013 . . . . . . . 4267 2 115 . 1 1 140 140 GLY N N 15 0.0590 0.0012 . . . . . . . 4267 2 116 . 1 1 141 141 ARG N N 15 0.0577 0.0012 . . . . . . . 4267 2 117 . 1 1 142 142 THR N N 15 0.0575 0.0018 . . . . . . . 4267 2 118 . 1 1 143 143 LYS N N 15 0.0617 0.0018 . . . . . . . 4267 2 119 . 1 1 144 144 GLU N N 15 0.0626 0.0014 . . . . . . . 4267 2 120 . 1 1 145 145 LEU N N 15 0.0367 0.0014 . . . . . . . 4267 2 121 . 1 1 146 146 THR N N 15 0.0708 0.0016 . . . . . . . 4267 2 122 . 1 1 147 147 SER N N 15 0.0600 0.0012 . . . . . . . 4267 2 123 . 1 1 148 148 GLU N N 15 0.0578 0.0012 . . . . . . . 4267 2 124 . 1 1 150 150 LYS N N 15 0.0603 0.0012 . . . . . . . 4267 2 125 . 1 1 151 151 GLU N N 15 0.0558 0.0011 . . . . . . . 4267 2 126 . 1 1 152 152 ASN N N 15 0.0560 0.0011 . . . . . . . 4267 2 127 . 1 1 153 153 PHE N N 15 0.0567 0.0011 . . . . . . . 4267 2 128 . 1 1 154 154 ILE N N 15 0.0580 0.0013 . . . . . . . 4267 2 129 . 1 1 155 155 ARG N N 15 0.0569 0.0011 . . . . . . . 4267 2 130 . 1 1 156 156 PHE N N 15 0.0559 0.0011 . . . . . . . 4267 2 131 . 1 1 157 157 SER N N 15 0.0563 0.0011 . . . . . . . 4267 2 132 . 1 1 158 158 LYS N N 15 0.0534 0.0011 . . . . . . . 4267 2 133 . 1 1 159 159 SER N N 15 0.0577 0.0012 . . . . . . . 4267 2 134 . 1 1 160 160 LEU N N 15 0.0557 0.0011 . . . . . . . 4267 2 135 . 1 1 161 161 GLY N N 15 0.0609 0.0012 . . . . . . . 4267 2 136 . 1 1 162 162 LEU N N 15 0.0550 0.0011 . . . . . . . 4267 2 137 . 1 1 165 165 ASN N N 15 0.0622 0.0012 . . . . . . . 4267 2 138 . 1 1 167 167 ILE N N 15 0.0591 0.0012 . . . . . . . 4267 2 139 . 1 1 168 168 VAL N N 15 0.0545 0.0011 . . . . . . . 4267 2 140 . 1 1 169 169 PHE N N 15 0.0573 0.0012 . . . . . . . 4267 2 141 . 1 1 171 171 VAL N N 15 0.0584 0.0012 . . . . . . . 4267 2 142 . 1 1 173 173 ILE N N 15 0.0333 0.0017 . . . . . . . 4267 2 143 . 1 1 175 175 GLN N N 15 0.0727 0.0018 . . . . . . . 4267 2 144 . 1 1 176 176 CYS N N 15 0.0371 0.0007 . . . . . . . 4267 2 145 . 1 1 178 178 ASP N N 15 0.0491 0.0010 . . . . . . . 4267 2 146 . 1 1 179 179 GLY N N 15 0.1337 0.0027 . . . . . . . 4267 2 147 . 1 1 32 32 TRP NE1 N 15 0.0650 0.0014 . . . . . . . 4267 2 148 . 1 1 80 80 TRP NE1 N 15 0.0935 0.0019 . . . . . . . 4267 2 149 . 1 1 110 110 ARG NE N 15 0.1128 0.0231 . . . . . . . 4267 2 150 . 1 1 155 155 ARG NE N 15 0.2909 0.0292 . . . . . . . 4267 2 stop_ save_ save_T2_relaxation_500 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_relaxation_500 _Heteronucl_T2_list.Entry_ID 4267 _Heteronucl_T2_list.ID 3 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details ; N15 T2 relaxation data with decoupling of CSA/DD cross-relaxation, water flipback. Interleaved acquisition mode. 500 MHz. CPMG echo delay delta=0.45 ms ; _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 SER N N 15 0.3173 0.0475 . . . . . . . 4267 3 2 . 1 1 5 5 THR N N 15 0.2437 0.0140 . . . . . . . 4267 3 3 . 1 1 6 6 SER N N 15 0.1868 0.0059 . . . . . . . 4267 3 4 . 1 1 7 7 ASP N N 15 0.1709 0.0039 . . . . . . . 4267 3 5 . 1 1 8 8 LEU N N 15 0.1166 0.0023 . . . . . . . 4267 3 6 . 1 1 9 9 ILE N N 15 0.0757 0.0015 . . . . . . . 4267 3 7 . 1 1 11 11 ALA N N 15 0.0677 0.0014 . . . . . . . 4267 3 8 . 1 1 14 14 LEU N N 15 0.0819 0.0022 . . . . . . . 4267 3 9 . 1 1 15 15 SER N N 15 0.0621 0.0020 . . . . . . . 4267 3 10 . 1 1 16 16 LYS N N 15 0.0658 0.0013 . . . . . . . 4267 3 11 . 1 1 17 17 VAL N N 15 0.0645 0.0013 . . . . . . . 4267 3 12 . 1 1 19 19 LEU N N 15 0.0719 0.0014 . . . . . . . 4267 3 13 . 1 1 20 20 GLN N N 15 0.0639 0.0015 . . . . . . . 4267 3 14 . 1 1 21 21 GLN N N 15 0.0667 0.0015 . . . . . . . 4267 3 15 . 1 1 23 23 PHE N N 15 0.0652 0.0013 . . . . . . . 4267 3 16 . 1 1 24 24 GLN N N 15 0.0679 0.0014 . . . . . . . 4267 3 17 . 1 1 25 25 ASP N N 15 0.0671 0.0013 . . . . . . . 4267 3 18 . 1 1 26 26 ASN N N 15 0.0625 0.0013 . . . . . . . 4267 3 19 . 1 1 27 27 GLN N N 15 0.0718 0.0014 . . . . . . . 4267 3 20 . 1 1 28 28 PHE N N 15 0.0630 0.0013 . . . . . . . 4267 3 21 . 1 1 29 29 GLN N N 15 0.0691 0.0014 . . . . . . . 4267 3 22 . 1 1 30 30 GLY N N 15 0.0658 0.0013 . . . . . . . 4267 3 23 . 1 1 31 31 LYS N N 15 0.0619 0.0012 . . . . . . . 4267 3 24 . 1 1 32 32 TRP N N 15 0.0653 0.0021 . . . . . . . 4267 3 25 . 1 1 33 33 TYR N N 15 0.0617 0.0015 . . . . . . . 4267 3 26 . 1 1 34 34 VAL N N 15 0.0612 0.0012 . . . . . . . 4267 3 27 . 1 1 35 35 VAL N N 15 0.0493 0.0018 . . . . . . . 4267 3 28 . 1 1 36 36 GLY N N 15 0.0641 0.0013 . . . . . . . 4267 3 29 . 1 1 37 37 LEU N N 15 0.0603 0.0012 . . . . . . . 4267 3 30 . 1 1 38 38 ALA N N 15 0.0597 0.0012 . . . . . . . 4267 3 31 . 1 1 39 39 GLY N N 15 0.0637 0.0014 . . . . . . . 4267 3 32 . 1 1 40 40 ASN N N 15 0.0567 0.0013 . . . . . . . 4267 3 33 . 1 1 41 41 ALA N N 15 0.0578 0.0016 . . . . . . . 4267 3 34 . 1 1 42 42 ILE N N 15 0.0530 0.0026 . . . . . . . 4267 3 35 . 1 1 43 43 LEU N N 15 0.0480 0.0016 . . . . . . . 4267 3 36 . 1 1 46 46 ASP N N 15 0.0627 0.0032 . . . . . . . 4267 3 37 . 1 1 48 48 ASP N N 15 0.0611 0.0013 . . . . . . . 4267 3 38 . 1 1 52 52 MET N N 15 0.0437 0.0018 . . . . . . . 4267 3 39 . 1 1 53 53 TYR N N 15 0.0481 0.0038 . . . . . . . 4267 3 40 . 1 1 54 54 ALA N N 15 0.0620 0.0012 . . . . . . . 4267 3 41 . 1 1 55 55 THR N N 15 0.0638 0.0013 . . . . . . . 4267 3 42 . 1 1 56 56 ILE N N 15 0.0600 0.0025 . . . . . . . 4267 3 43 . 1 1 57 57 TYR N N 15 0.0653 0.0016 . . . . . . . 4267 3 44 . 1 1 58 58 GLU N N 15 0.0683 0.0014 . . . . . . . 4267 3 45 . 1 1 60 60 LYS N N 15 0.0654 0.0013 . . . . . . . 4267 3 46 . 1 1 61 61 GLU N N 15 0.0688 0.0018 . . . . . . . 4267 3 47 . 1 1 62 62 ASP N N 15 0.0685 0.0014 . . . . . . . 4267 3 48 . 1 1 63 63 LYS N N 15 0.0669 0.0013 . . . . . . . 4267 3 49 . 1 1 64 64 SER N N 15 0.0734 0.0015 . . . . . . . 4267 3 50 . 1 1 65 65 TYR N N 15 0.0655 0.0013 . . . . . . . 4267 3 51 . 1 1 66 66 ASN N N 15 0.0616 0.0012 . . . . . . . 4267 3 52 . 1 1 67 67 VAL N N 15 0.0708 0.0018 . . . . . . . 4267 3 53 . 1 1 68 68 THR N N 15 0.0604 0.0012 . . . . . . . 4267 3 54 . 1 1 69 69 SER N N 15 0.0651 0.0025 . . . . . . . 4267 3 55 . 1 1 71 71 LEU N N 15 0.0627 0.0015 . . . . . . . 4267 3 56 . 1 1 73 73 ARG N N 15 0.0670 0.0013 . . . . . . . 4267 3 57 . 1 1 76 76 LYS N N 15 0.0693 0.0014 . . . . . . . 4267 3 58 . 1 1 77 77 CYS N N 15 0.0544 0.0013 . . . . . . . 4267 3 59 . 1 1 78 78 ASP N N 15 0.0612 0.0013 . . . . . . . 4267 3 60 . 1 1 79 79 TYR N N 15 0.0593 0.0012 . . . . . . . 4267 3 61 . 1 1 80 80 TRP N N 15 0.0610 0.0014 . . . . . . . 4267 3 62 . 1 1 82 82 ARG N N 15 0.0647 0.0020 . . . . . . . 4267 3 63 . 1 1 83 83 THR N N 15 0.0699 0.0014 . . . . . . . 4267 3 64 . 1 1 84 84 PHE N N 15 0.0612 0.0015 . . . . . . . 4267 3 65 . 1 1 87 87 GLY N N 15 0.0723 0.0020 . . . . . . . 4267 3 66 . 1 1 88 88 CYS N N 15 0.0670 0.0020 . . . . . . . 4267 3 67 . 1 1 89 89 GLN N N 15 0.0801 0.0016 . . . . . . . 4267 3 68 . 1 1 92 92 GLU N N 15 0.0605 0.0012 . . . . . . . 4267 3 69 . 1 1 93 93 PHE N N 15 0.0667 0.0013 . . . . . . . 4267 3 70 . 1 1 94 94 THR N N 15 0.0628 0.0013 . . . . . . . 4267 3 71 . 1 1 95 95 LEU N N 15 0.0685 0.0014 . . . . . . . 4267 3 72 . 1 1 96 96 GLY N N 15 0.0659 0.0028 . . . . . . . 4267 3 73 . 1 1 97 97 ASN N N 15 0.0682 0.0021 . . . . . . . 4267 3 74 . 1 1 98 98 ILE N N 15 0.0643 0.0015 . . . . . . . 4267 3 75 . 1 1 99 99 LYS N N 15 0.0636 0.0013 . . . . . . . 4267 3 76 . 1 1 100 100 SER N N 15 0.0675 0.0014 . . . . . . . 4267 3 77 . 1 1 101 101 TYR N N 15 0.0653 0.0013 . . . . . . . 4267 3 78 . 1 1 103 103 GLY N N 15 0.1128 0.0276 . . . . . . . 4267 3 79 . 1 1 104 104 LEU N N 15 0.0656 0.0013 . . . . . . . 4267 3 80 . 1 1 105 105 THR N N 15 0.0599 0.0012 . . . . . . . 4267 3 81 . 1 1 106 106 SER N N 15 0.0675 0.0014 . . . . . . . 4267 3 82 . 1 1 107 107 TYR N N 15 0.0636 0.0014 . . . . . . . 4267 3 83 . 1 1 108 108 LEU N N 15 0.0639 0.0013 . . . . . . . 4267 3 84 . 1 1 109 109 VAL N N 15 0.0647 0.0013 . . . . . . . 4267 3 85 . 1 1 110 110 ARG N N 15 0.0654 0.0013 . . . . . . . 4267 3 86 . 1 1 112 112 VAL N N 15 0.0624 0.0014 . . . . . . . 4267 3 87 . 1 1 113 113 SER N N 15 0.0641 0.0013 . . . . . . . 4267 3 88 . 1 1 115 115 ASN N N 15 0.0568 0.0011 . . . . . . . 4267 3 89 . 1 1 116 116 TYR N N 15 0.0609 0.0016 . . . . . . . 4267 3 90 . 1 1 117 117 ASN N N 15 0.0634 0.0013 . . . . . . . 4267 3 91 . 1 1 118 118 GLN N N 15 0.0606 0.0012 . . . . . . . 4267 3 92 . 1 1 119 119 HIS N N 15 0.0591 0.0012 . . . . . . . 4267 3 93 . 1 1 120 120 ALA N N 15 0.0595 0.0012 . . . . . . . 4267 3 94 . 1 1 122 122 VAL N N 15 0.0632 0.0014 . . . . . . . 4267 3 95 . 1 1 123 123 PHE N N 15 0.0623 0.0019 . . . . . . . 4267 3 96 . 1 1 124 124 PHE N N 15 0.0626 0.0013 . . . . . . . 4267 3 97 . 1 1 125 125 LYS N N 15 0.0616 0.0012 . . . . . . . 4267 3 98 . 1 1 127 127 VAL N N 15 0.0618 0.0018 . . . . . . . 4267 3 99 . 1 1 128 128 SER N N 15 0.0614 0.0012 . . . . . . . 4267 3 100 . 1 1 129 129 GLN N N 15 0.0625 0.0018 . . . . . . . 4267 3 101 . 1 1 130 130 ASN N N 15 0.0629 0.0013 . . . . . . . 4267 3 102 . 1 1 131 131 ARG N N 15 0.0706 0.0014 . . . . . . . 4267 3 103 . 1 1 132 132 GLU N N 15 0.0676 0.0014 . . . . . . . 4267 3 104 . 1 1 133 133 TYR N N 15 0.0653 0.0016 . . . . . . . 4267 3 105 . 1 1 134 134 PHE N N 15 0.0647 0.0013 . . . . . . . 4267 3 106 . 1 1 135 135 LYS N N 15 0.0617 0.0012 . . . . . . . 4267 3 107 . 1 1 136 136 ILE N N 15 0.0605 0.0017 . . . . . . . 4267 3 108 . 1 1 137 137 THR N N 15 0.0521 0.0015 . . . . . . . 4267 3 109 . 1 1 138 138 LEU N N 15 0.0619 0.0023 . . . . . . . 4267 3 110 . 1 1 139 139 TYR N N 15 0.0651 0.0014 . . . . . . . 4267 3 111 . 1 1 140 140 GLY N N 15 0.0610 0.0012 . . . . . . . 4267 3 112 . 1 1 141 141 ARG N N 15 0.0606 0.0013 . . . . . . . 4267 3 113 . 1 1 142 142 THR N N 15 0.0667 0.0016 . . . . . . . 4267 3 114 . 1 1 143 143 LYS N N 15 0.0671 0.0013 . . . . . . . 4267 3 115 . 1 1 144 144 GLU N N 15 0.0696 0.0014 . . . . . . . 4267 3 116 . 1 1 146 146 THR N N 15 0.0830 0.0017 . . . . . . . 4267 3 117 . 1 1 148 148 GLU N N 15 0.0605 0.0012 . . . . . . . 4267 3 118 . 1 1 150 150 LYS N N 15 0.0645 0.0013 . . . . . . . 4267 3 119 . 1 1 151 151 GLU N N 15 0.0609 0.0012 . . . . . . . 4267 3 120 . 1 1 152 152 ASN N N 15 0.0620 0.0012 . . . . . . . 4267 3 121 . 1 1 153 153 PHE N N 15 0.0663 0.0025 . . . . . . . 4267 3 122 . 1 1 154 154 ILE N N 15 0.0616 0.0012 . . . . . . . 4267 3 123 . 1 1 155 155 ARG N N 15 0.0618 0.0012 . . . . . . . 4267 3 124 . 1 1 156 156 PHE N N 15 0.0596 0.0012 . . . . . . . 4267 3 125 . 1 1 157 157 SER N N 15 0.0620 0.0012 . . . . . . . 4267 3 126 . 1 1 158 158 LYS N N 15 0.0708 0.0035 . . . . . . . 4267 3 127 . 1 1 159 159 SER N N 15 0.0634 0.0013 . . . . . . . 4267 3 128 . 1 1 160 160 LEU N N 15 0.0626 0.0013 . . . . . . . 4267 3 129 . 1 1 161 161 GLY N N 15 0.0663 0.0013 . . . . . . . 4267 3 130 . 1 1 162 162 LEU N N 15 0.0610 0.0012 . . . . . . . 4267 3 131 . 1 1 165 165 ASN N N 15 0.0712 0.0020 . . . . . . . 4267 3 132 . 1 1 167 167 ILE N N 15 0.0616 0.0012 . . . . . . . 4267 3 133 . 1 1 168 168 VAL N N 15 0.0596 0.0012 . . . . . . . 4267 3 134 . 1 1 169 169 PHE N N 15 0.0627 0.0013 . . . . . . . 4267 3 135 . 1 1 171 171 VAL N N 15 0.0616 0.0015 . . . . . . . 4267 3 136 . 1 1 173 173 ILE N N 15 0.0441 0.0046 . . . . . . . 4267 3 137 . 1 1 175 175 GLN N N 15 0.0783 0.0020 . . . . . . . 4267 3 138 . 1 1 176 176 CYS N N 15 0.0427 0.0039 . . . . . . . 4267 3 139 . 1 1 178 178 ASP N N 15 0.0558 0.0011 . . . . . . . 4267 3 140 . 1 1 179 179 GLY N N 15 0.1531 0.0031 . . . . . . . 4267 3 141 . 1 1 32 32 TRP NE1 N 15 0.0708 0.0015 . . . . . . . 4267 3 142 . 1 1 80 80 TRP NE1 N 15 0.0966 0.0019 . . . . . . . 4267 3 143 . 1 1 110 110 ARG NE N 15 0.0742 0.0015 . . . . . . . 4267 3 stop_ save_ ###################### # Order parameters # ###################### save_S2_parameters> _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode S2_parameters> _Order_parameter_list.Entry_ID 4267 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_all _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units ns _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details ; Order parameters are generalised, where applicable (i.e. S2=S2f*S2s), derived from model-free analysis using truncated Lipari-Szabo and the extended Clore model function (No residues fitted the full Lipari-Szabo model). ; _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 3 3 ASP N N 15 0.105 0.006 . . . . 0.611 0.003 . . . . 0.783 0.016 0.135 0.007 . . . . . . . . . 4267 1 2 . 1 1 4 4 SER N N 15 0.127 0.006 . . . . 0.784 0.005 . . . . 0.695 0.015 0.183 0.007 . . . . . . . . . 4267 1 3 . 1 1 5 5 THR N N 15 0.159 0.008 . . . . 0.980 0.007 . . . . 0.697 0.014 0.228 0.011 . . . . . . . . . 4267 1 4 . 1 1 6 6 SER N N 15 0.203 0.010 . . . . 1.138 0.009 . . . . 0.723 0.011 0.281 0.013 . . . . . . . . . 4267 1 5 . 1 1 7 7 ASP N N 15 0.219 0.008 . . . . 1.327 0.009 . . . . 0.769 0.011 0.285 0.009 . . . . . . . . . 4267 1 6 . 1 1 8 8 LEU N N 15 0.431 0.011 . . . . 1.253 0.025 . . . . 0.761 0.010 0.567 0.012 . . . . . . . . . 4267 1 7 . 1 1 9 9 ILE N N 15 0.744 0.022 . . . . 1.355 0.125 . . . . 0.849 0.018 0.876 0.017 . . . . . . . . . 4267 1 8 . 1 1 11 11 ALA N N 15 0.852 0.015 . . . . 1.078 0.240 . . . . 0.888 0.014 0.960 0.008 . . . . . . . . . 4267 1 9 . 1 1 14 14 LEU N N 15 0.692 0.054 . . . . 2.894 0.683 . . . . 0.786 0.011 0.881 0.067 . . . . . . . . . 4267 1 10 . 1 1 15 15 SER N N 15 0.927 0.014 . . . . 1.401 0.750 . . . . 0.948 0.010 0.978 0.010 . . . . . . . . . 4267 1 11 . 1 1 16 16 LYS N N 15 0.910 0.010 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 12 . 1 1 17 17 VAL N N 15 0.896 0.008 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 13 . 1 1 19 19 LEU N N 15 0.790 0.009 . . . . 1.771 0.482 . . . . 0.825 0.008 0.958 0.006 . . . . . . . . . 4267 1 14 . 1 1 20 20 GLN N N 15 0.909 0.010 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 15 . 1 1 21 21 GLN N N 15 0.889 0.010 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 16 . 1 1 22 22 ASN N N 15 0.907 0.014 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 17 . 1 1 23 23 PHE N N 15 0.882 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 18 . 1 1 24 24 GLN N N 15 0.837 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 19 . 1 1 25 25 ASP N N 15 0.840 0.014 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 20 . 1 1 26 26 ASN N N 15 0.927 0.011 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 21 . 1 1 27 27 GLN N N 15 0.816 0.014 . . . . 1.376 0.395 . . . . 0.845 0.011 0.965 0.011 . . . . . . . . . 4267 1 22 . 1 1 28 28 PHE N N 15 0.877 0.024 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 23 . 1 1 29 29 GLN N N 15 0.864 0.014 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 24 . 1 1 30 30 GLY N N 15 0.886 0.013 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 25 . 1 1 31 31 LYS N N 15 0.903 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 26 . 1 1 32 32 TRP N N 15 0.896 0.016 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 27 . 1 1 33 33 TYR N N 15 0.900 0.017 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 28 . 1 1 34 34 VAL N N 15 0.814 0.026 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 29 . 1 1 35 35 VAL N N 15 0.864 0.034 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 30 . 1 1 36 36 GLY N N 15 0.875 0.018 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 31 . 1 1 37 37 LEU N N 15 0.938 0.013 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 32 . 1 1 38 38 ALA N N 15 0.930 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 33 . 1 1 39 39 GLY N N 15 0.880 0.019 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 34 . 1 1 40 40 ASN N N 15 0.856 0.021 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 35 . 1 1 41 41 ALA N N 15 0.913 0.014 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 36 . 1 1 42 42 ILE N N 15 0.884 0.027 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 37 . 1 1 43 43 LEU N N 15 0.943 0.034 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 38 . 1 1 46 46 ASP N N 15 0.862 0.026 . . . . . . . . . . 0.554 0.100 . . . . . . . . . . . 4267 1 39 . 1 1 48 48 ASP N N 15 0.850 0.016 . . . . . . . . . . 0.564 0.100 . . . . . . . . . . . 4267 1 40 . 1 1 52 52 MET N N 15 0.862 0.032 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 41 . 1 1 53 53 TYR N N 15 0.871 0.042 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 42 . 1 1 54 54 ALA N N 15 0.931 0.013 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 43 . 1 1 55 55 THR N N 15 0.888 0.018 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 44 . 1 1 56 56 ILE N N 15 0.937 0.020 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 45 . 1 1 57 57 TYR N N 15 0.848 0.011 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 46 . 1 1 58 58 GLU N N 15 0.840 0.015 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 47 . 1 1 60 60 LYS N N 15 0.862 0.021 . . . . 1.797 0.250 . . . . 0.914 0.018 0.944 0.013 . . . . . . . . . 4267 1 48 . 1 1 61 61 GLU N N 15 0.838 0.015 . . . . 1.643 0.179 . . . . 0.902 0.012 0.929 0.011 . . . . . . . . . 4267 1 49 . 1 1 62 62 ASP N N 15 0.832 0.013 . . . . 0.764 0.523 . . . . 0.851 0.010 0.977 0.011 . . . . . . . . . 4267 1 50 . 1 1 63 63 LYS N N 15 0.912 0.014 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 51 . 1 1 64 64 SER N N 15 0.859 0.017 . . . . 0.785 0.389 . . . . 0.883 0.013 0.973 0.012 . . . . . . . . . 4267 1 52 . 1 1 65 65 TYR N N 15 0.871 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 53 . 1 1 66 66 ASN N N 15 0.901 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 54 . 1 1 67 67 VAL N N 15 0.885 0.015 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 55 . 1 1 68 68 THR N N 15 0.927 0.017 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 56 . 1 1 69 69 SER N N 15 0.891 0.016 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 57 . 1 1 71 71 LEU N N 15 0.860 0.019 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 58 . 1 1 73 73 ARG N N 15 0.848 0.015 . . . . 0.984 0.528 . . . . 0.882 0.012 0.962 0.011 . . . . . . . . . 4267 1 59 . 1 1 74 74 LYS N N 15 0.850 0.024 . . . . 0.701 0.267 . . . . 0.900 0.018 0.945 0.018 . . . . . . . . . 4267 1 60 . 1 1 75 75 LYS N N 15 0.892 0.023 . . . . 0.620 0.183 . . . . 0.961 0.019 0.928 0.015 . . . . . . . . . 4267 1 61 . 1 1 76 76 LYS N N 15 0.840 0.012 . . . . 0.901 0.145 . . . . 0.906 0.009 0.926 0.008 . . . . . . . . . 4267 1 62 . 1 1 77 77 CYS N N 15 0.872 0.017 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 63 . 1 1 78 78 ASP N N 15 0.885 0.028 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 64 . 1 1 79 79 TYR N N 15 0.856 0.019 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 65 . 1 1 80 80 TRP N N 15 0.852 0.030 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 66 . 1 1 82 82 ARG N N 15 0.889 0.022 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 67 . 1 1 83 83 THR N N 15 0.832 0.010 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 68 . 1 1 84 84 PHE N N 15 0.861 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 69 . 1 1 87 87 GLY N N 15 0.779 0.023 . . . . 1.504 0.360 . . . . 0.828 0.016 0.941 0.021 . . . . . . . . . 4267 1 70 . 1 1 88 88 CYS N N 15 0.787 0.026 . . . . 3.900 2.200 . . . . 0.837 0.020 0.940 0.022 . . . . . . . . . 4267 1 71 . 1 1 89 89 GLN N N 15 0.717 0.013 . . . . 0.949 0.058 . . . . 0.837 0.010 0.856 0.011 . . . . . . . . . 4267 1 72 . 1 1 92 92 GLU N N 15 0.954 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 73 . 1 1 93 93 PHE N N 15 0.852 0.017 . . . . 0.989 0.361 . . . . 0.877 0.015 0.971 0.011 . . . . . . . . . 4267 1 74 . 1 1 94 94 THR N N 15 0.898 0.013 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 75 . 1 1 95 95 LEU N N 15 0.839 0.015 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 76 . 1 1 96 96 GLY N N 15 0.932 0.019 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 77 . 1 1 97 97 ASN N N 15 0.842 0.019 . . . . 1.967 0.191 . . . . 0.923 0.015 0.913 0.015 . . . . . . . . . 4267 1 78 . 1 1 98 98 ILE N N 15 0.900 0.011 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 79 . 1 1 99 99 LYS N N 15 0.908 0.013 . . . . 0.792 0.254 . . . . 0.942 0.010 0.963 0.009 . . . . . . . . . 4267 1 80 . 1 1 100 100 SER N N 15 0.839 0.013 . . . . 1.104 0.313 . . . . 0.872 0.010 0.962 0.011 . . . . . . . . . 4267 1 81 . 1 1 101 101 TYR N N 15 0.887 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 82 . 1 1 103 103 GLY N N 15 0.721 0.028 . . . . 1.085 0.136 . . . . 0.835 0.022 0.864 0.025 . . . . . . . . . 4267 1 83 . 1 1 104 104 LEU N N 15 0.876 0.015 . . . . 0.603 0.266 . . . . 0.900 0.010 0.974 0.013 . . . . . . . . . 4267 1 84 . 1 1 105 105 THR N N 15 0.936 0.010 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 85 . 1 1 106 106 SER N N 15 0.863 0.015 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 86 . 1 1 107 107 TYR N N 15 0.877 0.013 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 87 . 1 1 108 108 LEU N N 15 0.904 0.014 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 88 . 1 1 109 109 VAL N N 15 0.883 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 89 . 1 1 110 110 ARG N N 15 0.897 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 90 . 1 1 112 112 VAL N N 15 0.922 0.017 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 91 . 1 1 113 113 SER N N 15 0.893 0.011 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 92 . 1 1 114 114 THR N N 15 0.935 0.016 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 93 . 1 1 115 115 ASN N N 15 0.874 0.030 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 94 . 1 1 116 116 TYR N N 15 0.923 0.016 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 95 . 1 1 117 117 ASN N N 15 0.869 0.021 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 96 . 1 1 118 118 GLN N N 15 0.943 0.014 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 97 . 1 1 119 119 HIS N N 15 0.897 0.019 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 98 . 1 1 120 120 ALA N N 15 0.944 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 99 . 1 1 122 122 VAL N N 15 0.891 0.014 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 100 . 1 1 123 123 PHE N N 15 0.888 0.026 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 101 . 1 1 124 124 PHE N N 15 0.902 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 102 . 1 1 125 125 LYS N N 15 0.921 0.013 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 103 . 1 1 127 127 VAL N N 15 0.922 0.019 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 104 . 1 1 128 128 SER N N 15 0.926 0.016 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 105 . 1 1 129 129 GLN N N 15 0.898 0.017 . . . . 0.644 0.443 . . . . 0.929 0.011 0.966 0.015 . . . . . . . . . 4267 1 106 . 1 1 130 130 ASN N N 15 0.828 0.050 . . . . 0.969 0.501 . . . . 0.876 0.047 0.946 0.027 . . . . . . . . . 4267 1 107 . 1 1 131 131 ARG N N 15 0.813 0.015 . . . . 0.739 0.237 . . . . 0.854 0.011 0.953 0.013 . . . . . . . . . 4267 1 108 . 1 1 132 132 GLU N N 15 0.852 0.013 . . . . 0.386 0.186 . . . . 0.870 0.010 0.979 0.010 . . . . . . . . . 4267 1 109 . 1 1 133 133 TYR N N 15 0.879 0.015 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 110 . 1 1 134 134 PHE N N 15 0.881 0.012 . . . . 0.753 0.390 . . . . 0.900 0.010 0.979 0.009 . . . . . . . . . 4267 1 111 . 1 1 135 135 LYS N N 15 0.885 0.019 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 112 . 1 1 136 136 ILE N N 15 0.902 0.021 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 113 . 1 1 137 137 THR N N 15 0.888 0.030 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 114 . 1 1 138 138 LEU N N 15 0.911 0.015 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 115 . 1 1 139 139 TYR N N 15 0.877 0.014 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 116 . 1 1 140 140 GLY N N 15 0.906 0.016 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 117 . 1 1 141 141 ARG N N 15 0.912 0.014 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 118 . 1 1 142 142 THR N N 15 0.923 0.010 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 119 . 1 1 143 143 LYS N N 15 0.844 0.014 . . . . . . . . . . 0.854 0.017 0.968 0.018 . . . . . . . . . 4267 1 120 . 1 1 144 144 GLU N N 15 0.775 0.019 . . . . 0.310 0.082 . . . . 0.804 0.019 0.964 0.007 . . . . . . . . . 4267 1 121 . 1 1 145 145 LEU N N 15 0.810 0.031 . . . . 0.260 0.051 . . . . 0.853 0.031 0.950 0.011 . . . . . . . . . 4267 1 122 . 1 1 146 146 THR N N 15 0.611 0.035 . . . . 1.189 0.193 . . . . 0.695 0.027 0.880 0.037 . . . . . . . . . 4267 1 123 . 1 1 147 147 SER N N 15 0.861 0.023 . . . . 2.201 1.700 . . . . 0.905 0.017 0.951 0.018 . . . . . . . . . 4267 1 124 . 1 1 148 148 GLU N N 15 0.945 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 125 . 1 1 150 150 LYS N N 15 0.886 0.013 . . . . 0.648 0.448 . . . . 0.908 0.010 0.976 0.009 . . . . . . . . . 4267 1 126 . 1 1 151 151 GLU N N 15 0.928 0.013 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 127 . 1 1 152 152 ASN N N 15 0.936 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 128 . 1 1 153 153 PHE N N 15 0.932 0.012 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 129 . 1 1 154 154 ILE N N 15 0.941 0.010 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 130 . 1 1 155 155 ARG N N 15 0.933 0.013 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 131 . 1 1 156 156 PHE N N 15 0.947 0.015 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 132 . 1 1 157 157 SER N N 15 0.930 0.011 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 133 . 1 1 158 158 LYS N N 15 0.967 0.013 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 134 . 1 1 159 159 SER N N 15 0.872 0.019 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 135 . 1 1 160 160 LEU N N 15 0.932 0.013 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 136 . 1 1 161 161 GLY N N 15 0.888 0.013 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 137 . 1 1 162 162 LEU N N 15 0.899 0.019 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 138 . 1 1 165 165 ASN N N 15 0.819 0.012 . . . . 3.042 0.872 . . . . 0.882 0.011 0.928 0.008 . . . . . . . . . 4267 1 139 . 1 1 167 167 ILE N N 15 0.885 0.017 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 140 . 1 1 168 168 VAL N N 15 0.904 0.014 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 141 . 1 1 169 169 PHE N N 15 0.907 0.011 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 142 . 1 1 171 171 VAL N N 15 0.833 0.049 . . . . 1.245 0.484 . . . . 0.877 0.043 0.950 0.031 . . . . . . . . . 4267 1 143 . 1 1 173 173 ILE N N 15 0.834 0.040 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 144 . 1 1 175 175 GLN N N 15 0.738 0.018 . . . . 0.353 0.125 . . . . 0.806 0.013 0.916 0.017 . . . . . . . . . 4267 1 145 . 1 1 176 176 CYS N N 15 0.878 0.032 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 146 . 1 1 178 178 ASP N N 15 0.889 0.022 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 147 . 1 1 179 179 GLY N N 15 0.342 0.009 . . . . 0.784 0.011 . . . . 0.705 0.011 0.485 0.010 . . . . . . . . . 4267 1 148 . 1 1 32 32 TRP NE1 N 15 0.793 0.013 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 149 . 1 1 80 80 TRP NE1 N 15 0.534 0.015 . . . . 1.877 0.138 . . . . 0.706 0.011 0.757 0.017 . . . . . . . . . 4267 1 150 . 1 1 110 110 ARG NE N 15 0.456 0.068 . . . . 1.536 0.666 . . . . 0.552 0.059 0.825 0.084 . . . . . . . . . 4267 1 151 . 1 1 141 141 ARG NE N 15 0.937 0.040 . . . . . . . . . . . . . . . . . . . . . . . 4267 1 152 . 1 1 155 155 ARG NE N 15 0.134 0.016 . . . . 0.444 0.018 . . . . 0.464 0.022 0.288 0.031 . . . . . . . . . 4267 1 stop_ save_