data_2196 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2196 _Entry.Title ; Sequence Specific Assignments in the 1H NMR Spectrum of the Human Inflammatory Protein C5a ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _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 . _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 Erik Zuiderweg . R.P. . 2196 2 Karl Mollison . W. . 2196 3 Jack Henkin . . . 2196 4 George Carter . W. . 2196 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2196 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 462 2196 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 4 . . 2010-06-16 . revision BMRB 'Complete natural source information' 2196 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2196 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2196 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2196 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2196 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Zuiderweg, Erik R. P., Mollison, Karl W., Henkin, Jack, Carter, George W., "Sequence Specific Assignments in the 1H NMR Spectrum of the Human Inflammatory Protein C5a," Biochemistry 27 (10), 3568-3580 (1988). ; _Citation.Title ; Sequence Specific Assignments in the 1H NMR Spectrum of the Human Inflammatory Protein C5a ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 10 _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 3568 _Citation.Page_last 3580 _Citation.Year 1988 _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 Erik Zuiderweg . R.P. . 2196 1 2 Karl Mollison . W. . 2196 1 3 Jack Henkin . . . 2196 1 4 George Carter . W. . 2196 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_complement_protein_C5a _Assembly.Sf_category assembly _Assembly.Sf_framecode system_complement_protein_C5a _Assembly.Entry_ID 2196 _Assembly.ID 1 _Assembly.Name 'complement protein C5a' _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 . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'complement protein C5a' 1 $complement_protein_C5a . . . . . . . . . 2196 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'complement protein C5a' system 2196 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_complement_protein_C5a _Entity.Sf_category entity _Entity.Sf_framecode complement_protein_C5a _Entity.Entry_ID 2196 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'complement protein C5a' _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 ; MTLQKKIEEIAAKYKHSVVK KCCYDGACVNNDETCEQRAA RISLGPRCIKAFTECCVVAS QLRANISHKDMQLGR ; _Entity.Polymer_seq_one_letter_code ; MTLQKKIEEIAAKYKHSVVK KCCYDGACVNNDETCEQRAA RISLGPRCIKAFTECCVVAS QLRANISHKDMQLGR ; _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 75 _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 2506 . "complement protein C5a" . . . . . 100.00 75 100.00 100.00 1.32e-46 . . . . 2196 1 2 no PDB 1CFA . "Solution Structure Of A Semi-Synthetic C5a Receptor Antagonist At Ph 5.2, 303k, Nmr, 20 Structures" . . . . . 92.00 71 98.55 98.55 2.35e-40 . . . . 2196 1 3 no PDB 1KJS . "Nmr Solution Structure Of C5a At Ph 5.2, 303k, 20 Structures" . . . . . 97.33 74 100.00 100.00 8.29e-45 . . . . 2196 1 4 no PDB 3CU7 . "Human Complement Component 5" . . . . . 98.67 1676 100.00 100.00 2.89e-44 . . . . 2196 1 5 no PDB 3HQA . "Crystal Structure Of Human Desarg-C5a" . . . . . 96.00 73 100.00 100.00 4.22e-44 . . . . 2196 1 6 no PDB 3HQB . "Crystal Structure Of Human Desarg-C5a" . . . . . 96.00 73 100.00 100.00 4.22e-44 . . . . 2196 1 7 no PDB 3KLS . "Structure Of Complement C5 In Complex With Ssl7" . . . . . 98.67 1676 100.00 100.00 2.89e-44 . . . . 2196 1 8 no PDB 3KM9 . "Structure Of Complement C5 In Complex With The C-Terminal Beta-Grasp Domain Of Ssl7" . . . . . 98.67 1676 100.00 100.00 2.89e-44 . . . . 2196 1 9 no PDB 3PRX . "Structure Of Complement C5 In Complex With Cvf And Ssl7" . . . . . 98.67 1676 100.00 100.00 2.89e-44 . . . . 2196 1 10 no PDB 3PVM . "Structure Of Complement C5 In Complex With Cvf" . . . . . 98.67 1676 100.00 100.00 2.89e-44 . . . . 2196 1 11 no PDB 4E0S . "Crystal Structure Of C5b-6" . . . . . 98.67 1676 100.00 100.00 2.89e-44 . . . . 2196 1 12 no PDB 4P39 . "Crystal Structure Of The Human C5ar Antagonist C5a-a8" . . . . . 90.67 77 97.06 97.06 5.74e-38 . . . . 2196 1 13 no PDB 4UU9 . "Crystal Structure Of The Human C5a In Complex With Medi7814 A Neutralising Antibody" . . . . . 98.67 75 100.00 100.00 9.66e-46 . . . . 2196 1 14 no DBJ BAD92268 . "complement component 5 variant [Homo sapiens]" . . . . . 98.67 1106 100.00 100.00 1.65e-44 . . . . 2196 1 15 no GB AAA51856 . "complement component C5, partial [Homo sapiens]" . . . . . 98.67 1265 100.00 100.00 1.11e-43 . . . . 2196 1 16 no GB AAA51925 . "complement component C5 [Homo sapiens]" . . . . . 98.67 1676 100.00 100.00 2.89e-44 . . . . 2196 1 17 no GB AAA72273 . "C5a complement component [synthetic construct]" . . . . . 100.00 75 100.00 100.00 1.32e-46 . . . . 2196 1 18 no GB AAB35171 . "anaphylatoxin C5a analog [synthetic construct]" . . . . . 97.33 74 98.63 98.63 6.70e-44 . . . . 2196 1 19 no GB AAI13739 . "Complement component 5 [Homo sapiens]" . . . . . 98.67 1676 100.00 100.00 2.89e-44 . . . . 2196 1 20 no REF NP_001726 . "complement C5 preproprotein [Homo sapiens]" . . . . . 98.67 1676 100.00 100.00 2.89e-44 . . . . 2196 1 21 no REF XP_011517282 . "PREDICTED: complement C5 isoform X1 [Homo sapiens]" . . . . . 98.67 1681 100.00 100.00 2.90e-44 . . . . 2196 1 22 no REF XP_011517283 . "PREDICTED: complement C5 isoform X2 [Homo sapiens]" . . . . . 98.67 1172 100.00 100.00 1.85e-44 . . . . 2196 1 23 no REF XP_011517284 . "PREDICTED: complement C5 isoform X3 [Homo sapiens]" . . . . . 98.67 902 100.00 100.00 9.27e-45 . . . . 2196 1 24 no SP P01031 . "RecName: Full=Complement C5; AltName: Full=C3 and PZP-like alpha-2-macroglobulin domain-containing protein 4; Contains: RecName" . . . . . 98.67 1676 100.00 100.00 2.89e-44 . . . . 2196 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'complement protein C5a' common 2196 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 . MET . 2196 1 2 . THR . 2196 1 3 . LEU . 2196 1 4 . GLN . 2196 1 5 . LYS . 2196 1 6 . LYS . 2196 1 7 . ILE . 2196 1 8 . GLU . 2196 1 9 . GLU . 2196 1 10 . ILE . 2196 1 11 . ALA . 2196 1 12 . ALA . 2196 1 13 . LYS . 2196 1 14 . TYR . 2196 1 15 . LYS . 2196 1 16 . HIS . 2196 1 17 . SER . 2196 1 18 . VAL . 2196 1 19 . VAL . 2196 1 20 . LYS . 2196 1 21 . LYS . 2196 1 22 . CYS . 2196 1 23 . CYS . 2196 1 24 . TYR . 2196 1 25 . ASP . 2196 1 26 . GLY . 2196 1 27 . ALA . 2196 1 28 . CYS . 2196 1 29 . VAL . 2196 1 30 . ASN . 2196 1 31 . ASN . 2196 1 32 . ASP . 2196 1 33 . GLU . 2196 1 34 . THR . 2196 1 35 . CYS . 2196 1 36 . GLU . 2196 1 37 . GLN . 2196 1 38 . ARG . 2196 1 39 . ALA . 2196 1 40 . ALA . 2196 1 41 . ARG . 2196 1 42 . ILE . 2196 1 43 . SER . 2196 1 44 . LEU . 2196 1 45 . GLY . 2196 1 46 . PRO . 2196 1 47 . ARG . 2196 1 48 . CYS . 2196 1 49 . ILE . 2196 1 50 . LYS . 2196 1 51 . ALA . 2196 1 52 . PHE . 2196 1 53 . THR . 2196 1 54 . GLU . 2196 1 55 . CYS . 2196 1 56 . CYS . 2196 1 57 . VAL . 2196 1 58 . VAL . 2196 1 59 . ALA . 2196 1 60 . SER . 2196 1 61 . GLN . 2196 1 62 . LEU . 2196 1 63 . ARG . 2196 1 64 . ALA . 2196 1 65 . ASN . 2196 1 66 . ILE . 2196 1 67 . SER . 2196 1 68 . HIS . 2196 1 69 . LYS . 2196 1 70 . ASP . 2196 1 71 . MET . 2196 1 72 . GLN . 2196 1 73 . LEU . 2196 1 74 . GLY . 2196 1 75 . ARG . 2196 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 2196 1 . THR 2 2 2196 1 . LEU 3 3 2196 1 . GLN 4 4 2196 1 . LYS 5 5 2196 1 . LYS 6 6 2196 1 . ILE 7 7 2196 1 . GLU 8 8 2196 1 . GLU 9 9 2196 1 . ILE 10 10 2196 1 . ALA 11 11 2196 1 . ALA 12 12 2196 1 . LYS 13 13 2196 1 . TYR 14 14 2196 1 . LYS 15 15 2196 1 . HIS 16 16 2196 1 . SER 17 17 2196 1 . VAL 18 18 2196 1 . VAL 19 19 2196 1 . LYS 20 20 2196 1 . LYS 21 21 2196 1 . CYS 22 22 2196 1 . CYS 23 23 2196 1 . TYR 24 24 2196 1 . ASP 25 25 2196 1 . GLY 26 26 2196 1 . ALA 27 27 2196 1 . CYS 28 28 2196 1 . VAL 29 29 2196 1 . ASN 30 30 2196 1 . ASN 31 31 2196 1 . ASP 32 32 2196 1 . GLU 33 33 2196 1 . THR 34 34 2196 1 . CYS 35 35 2196 1 . GLU 36 36 2196 1 . GLN 37 37 2196 1 . ARG 38 38 2196 1 . ALA 39 39 2196 1 . ALA 40 40 2196 1 . ARG 41 41 2196 1 . ILE 42 42 2196 1 . SER 43 43 2196 1 . LEU 44 44 2196 1 . GLY 45 45 2196 1 . PRO 46 46 2196 1 . ARG 47 47 2196 1 . CYS 48 48 2196 1 . ILE 49 49 2196 1 . LYS 50 50 2196 1 . ALA 51 51 2196 1 . PHE 52 52 2196 1 . THR 53 53 2196 1 . GLU 54 54 2196 1 . CYS 55 55 2196 1 . CYS 56 56 2196 1 . VAL 57 57 2196 1 . VAL 58 58 2196 1 . ALA 59 59 2196 1 . SER 60 60 2196 1 . GLN 61 61 2196 1 . LEU 62 62 2196 1 . ARG 63 63 2196 1 . ALA 64 64 2196 1 . ASN 65 65 2196 1 . ILE 66 66 2196 1 . SER 67 67 2196 1 . HIS 68 68 2196 1 . LYS 69 69 2196 1 . ASP 70 70 2196 1 . MET 71 71 2196 1 . GLN 72 72 2196 1 . LEU 73 73 2196 1 . GLY 74 74 2196 1 . ARG 75 75 2196 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 2196 _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 $complement_protein_C5a . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 2196 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 2196 _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 $complement_protein_C5a . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2196 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2196 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 2196 _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 2.3 . na 2196 1 temperature 283 . K 2196 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 2196 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 2196 _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 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 2196 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 2196 _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_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 2196 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 2196 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 H . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2196 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 2196 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 . _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 $sample_one . 2196 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 HA H 1 4.33 . . 1 . . . . . . . . 2196 1 2 . 1 1 1 1 MET HB2 H 1 2.25 . . 1 . . . . . . . . 2196 1 3 . 1 1 1 1 MET HB3 H 1 2.25 . . 1 . . . . . . . . 2196 1 4 . 1 1 1 1 MET HG2 H 1 2.58 . . 2 . . . . . . . . 2196 1 5 . 1 1 1 1 MET HG3 H 1 2.7 . . 2 . . . . . . . . 2196 1 6 . 1 1 1 1 MET HE1 H 1 2.09 . . 1 . . . . . . . . 2196 1 7 . 1 1 1 1 MET HE2 H 1 2.09 . . 1 . . . . . . . . 2196 1 8 . 1 1 1 1 MET HE3 H 1 2.09 . . 1 . . . . . . . . 2196 1 9 . 1 1 2 2 THR H H 1 8.42 . . 1 . . . . . . . . 2196 1 10 . 1 1 2 2 THR HA H 1 4.43 . . 1 . . . . . . . . 2196 1 11 . 1 1 2 2 THR HB H 1 4.64 . . 1 . . . . . . . . 2196 1 12 . 1 1 2 2 THR HG21 H 1 1.38 . . 1 . . . . . . . . 2196 1 13 . 1 1 2 2 THR HG22 H 1 1.38 . . 1 . . . . . . . . 2196 1 14 . 1 1 2 2 THR HG23 H 1 1.38 . . 1 . . . . . . . . 2196 1 15 . 1 1 3 3 LEU H H 1 8.79 . . 1 . . . . . . . . 2196 1 16 . 1 1 3 3 LEU HA H 1 4.04 . . 1 . . . . . . . . 2196 1 17 . 1 1 3 3 LEU HB2 H 1 1.7 . . 2 . . . . . . . . 2196 1 18 . 1 1 3 3 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 2196 1 19 . 1 1 3 3 LEU HG H 1 1.78 . . 1 . . . . . . . . 2196 1 20 . 1 1 3 3 LEU HD11 H 1 .95 . . 2 . . . . . . . . 2196 1 21 . 1 1 3 3 LEU HD12 H 1 .95 . . 2 . . . . . . . . 2196 1 22 . 1 1 3 3 LEU HD13 H 1 .95 . . 2 . . . . . . . . 2196 1 23 . 1 1 3 3 LEU HD21 H 1 1.01 . . 2 . . . . . . . . 2196 1 24 . 1 1 3 3 LEU HD22 H 1 1.01 . . 2 . . . . . . . . 2196 1 25 . 1 1 3 3 LEU HD23 H 1 1.01 . . 2 . . . . . . . . 2196 1 26 . 1 1 4 4 GLN H H 1 8.6 . . 1 . . . . . . . . 2196 1 27 . 1 1 4 4 GLN HA H 1 3.93 . . 1 . . . . . . . . 2196 1 28 . 1 1 4 4 GLN HB2 H 1 2 . . 2 . . . . . . . . 2196 1 29 . 1 1 4 4 GLN HB3 H 1 2.14 . . 2 . . . . . . . . 2196 1 30 . 1 1 4 4 GLN HG2 H 1 2.45 . . 1 . . . . . . . . 2196 1 31 . 1 1 4 4 GLN HG3 H 1 2.45 . . 1 . . . . . . . . 2196 1 32 . 1 1 4 4 GLN HE21 H 1 6.92 . . 2 . . . . . . . . 2196 1 33 . 1 1 4 4 GLN HE22 H 1 7.57 . . 2 . . . . . . . . 2196 1 34 . 1 1 5 5 LYS H H 1 7.82 . . 1 . . . . . . . . 2196 1 35 . 1 1 5 5 LYS HA H 1 4.1 . . 1 . . . . . . . . 2196 1 36 . 1 1 5 5 LYS HB2 H 1 1.9 . . 1 . . . . . . . . 2196 1 37 . 1 1 5 5 LYS HB3 H 1 1.9 . . 1 . . . . . . . . 2196 1 38 . 1 1 6 6 LYS H H 1 8.28 . . 1 . . . . . . . . 2196 1 39 . 1 1 6 6 LYS HA H 1 4.11 . . 1 . . . . . . . . 2196 1 40 . 1 1 7 7 ILE H H 1 8.3 . . 1 . . . . . . . . 2196 1 41 . 1 1 7 7 ILE HA H 1 3.84 . . 1 . . . . . . . . 2196 1 42 . 1 1 7 7 ILE HB H 1 2.2 . . 1 . . . . . . . . 2196 1 43 . 1 1 7 7 ILE HG12 H 1 1.42 . . 2 . . . . . . . . 2196 1 44 . 1 1 7 7 ILE HG13 H 1 1.73 . . 2 . . . . . . . . 2196 1 45 . 1 1 7 7 ILE HG21 H 1 .92 . . 1 . . . . . . . . 2196 1 46 . 1 1 7 7 ILE HG22 H 1 .92 . . 1 . . . . . . . . 2196 1 47 . 1 1 7 7 ILE HG23 H 1 .92 . . 1 . . . . . . . . 2196 1 48 . 1 1 7 7 ILE HD11 H 1 .79 . . 1 . . . . . . . . 2196 1 49 . 1 1 7 7 ILE HD12 H 1 .79 . . 1 . . . . . . . . 2196 1 50 . 1 1 7 7 ILE HD13 H 1 .79 . . 1 . . . . . . . . 2196 1 51 . 1 1 8 8 GLU H H 1 8.17 . . 1 . . . . . . . . 2196 1 52 . 1 1 8 8 GLU HA H 1 4.23 . . 1 . . . . . . . . 2196 1 53 . 1 1 8 8 GLU HB2 H 1 2.24 . . 2 . . . . . . . . 2196 1 54 . 1 1 8 8 GLU HB3 H 1 2.36 . . 2 . . . . . . . . 2196 1 55 . 1 1 8 8 GLU HG2 H 1 2.68 . . 2 . . . . . . . . 2196 1 56 . 1 1 8 8 GLU HG3 H 1 2.78 . . 2 . . . . . . . . 2196 1 57 . 1 1 9 9 GLU H H 1 8.11 . . 1 . . . . . . . . 2196 1 58 . 1 1 9 9 GLU HA H 1 4.09 . . 1 . . . . . . . . 2196 1 59 . 1 1 9 9 GLU HB2 H 1 2.2 . . 2 . . . . . . . . 2196 1 60 . 1 1 9 9 GLU HB3 H 1 2.32 . . 2 . . . . . . . . 2196 1 61 . 1 1 9 9 GLU HG2 H 1 2.5 . . 2 . . . . . . . . 2196 1 62 . 1 1 9 9 GLU HG3 H 1 2.81 . . 2 . . . . . . . . 2196 1 63 . 1 1 10 10 ILE H H 1 7.88 . . 1 . . . . . . . . 2196 1 64 . 1 1 10 10 ILE HA H 1 3.74 . . 1 . . . . . . . . 2196 1 65 . 1 1 10 10 ILE HB H 1 2.05 . . 1 . . . . . . . . 2196 1 66 . 1 1 10 10 ILE HG12 H 1 1.21 . . 2 . . . . . . . . 2196 1 67 . 1 1 10 10 ILE HG13 H 1 1.87 . . 2 . . . . . . . . 2196 1 68 . 1 1 10 10 ILE HG21 H 1 1.05 . . 1 . . . . . . . . 2196 1 69 . 1 1 10 10 ILE HG22 H 1 1.05 . . 1 . . . . . . . . 2196 1 70 . 1 1 10 10 ILE HG23 H 1 1.05 . . 1 . . . . . . . . 2196 1 71 . 1 1 10 10 ILE HD11 H 1 .94 . . 1 . . . . . . . . 2196 1 72 . 1 1 10 10 ILE HD12 H 1 .94 . . 1 . . . . . . . . 2196 1 73 . 1 1 10 10 ILE HD13 H 1 .94 . . 1 . . . . . . . . 2196 1 74 . 1 1 11 11 ALA H H 1 8.65 . . 1 . . . . . . . . 2196 1 75 . 1 1 11 11 ALA HA H 1 4.13 . . 1 . . . . . . . . 2196 1 76 . 1 1 11 11 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 2196 1 77 . 1 1 11 11 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 2196 1 78 . 1 1 11 11 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 2196 1 79 . 1 1 12 12 ALA H H 1 7.7 . . 1 . . . . . . . . 2196 1 80 . 1 1 12 12 ALA HA H 1 4.01 . . 1 . . . . . . . . 2196 1 81 . 1 1 12 12 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 2196 1 82 . 1 1 12 12 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 2196 1 83 . 1 1 12 12 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 2196 1 84 . 1 1 13 13 LYS H H 1 7.44 . . 1 . . . . . . . . 2196 1 85 . 1 1 13 13 LYS HA H 1 4.02 . . 1 . . . . . . . . 2196 1 86 . 1 1 13 13 LYS HB2 H 1 1.6 . . 1 . . . . . . . . 2196 1 87 . 1 1 13 13 LYS HB3 H 1 1.6 . . 1 . . . . . . . . 2196 1 88 . 1 1 14 14 TYR H H 1 7.54 . . 1 . . . . . . . . 2196 1 89 . 1 1 14 14 TYR HA H 1 4.74 . . 1 . . . . . . . . 2196 1 90 . 1 1 14 14 TYR HB2 H 1 2.82 . . 2 . . . . . . . . 2196 1 91 . 1 1 14 14 TYR HB3 H 1 3.17 . . 2 . . . . . . . . 2196 1 92 . 1 1 14 14 TYR HD1 H 1 7.24 . . 1 . . . . . . . . 2196 1 93 . 1 1 14 14 TYR HD2 H 1 7.24 . . 1 . . . . . . . . 2196 1 94 . 1 1 14 14 TYR HE1 H 1 6.73 . . 1 . . . . . . . . 2196 1 95 . 1 1 14 14 TYR HE2 H 1 6.73 . . 1 . . . . . . . . 2196 1 96 . 1 1 15 15 LYS H H 1 8.45 . . 1 . . . . . . . . 2196 1 97 . 1 1 15 15 LYS HA H 1 4.22 . . 1 . . . . . . . . 2196 1 98 . 1 1 15 15 LYS HB2 H 1 1.74 . . 1 . . . . . . . . 2196 1 99 . 1 1 15 15 LYS HB3 H 1 1.74 . . 1 . . . . . . . . 2196 1 100 . 1 1 16 16 HIS H H 1 8.29 . . 1 . . . . . . . . 2196 1 101 . 1 1 16 16 HIS HA H 1 4.92 . . 1 . . . . . . . . 2196 1 102 . 1 1 16 16 HIS HB2 H 1 3.36 . . 2 . . . . . . . . 2196 1 103 . 1 1 16 16 HIS HB3 H 1 3.63 . . 2 . . . . . . . . 2196 1 104 . 1 1 16 16 HIS HD2 H 1 7.63 . . 1 . . . . . . . . 2196 1 105 . 1 1 16 16 HIS HE1 H 1 8.76 . . 1 . . . . . . . . 2196 1 106 . 1 1 17 17 SER H H 1 9.24 . . 1 . . . . . . . . 2196 1 107 . 1 1 17 17 SER HA H 1 4.07 . . 1 . . . . . . . . 2196 1 108 . 1 1 17 17 SER HB2 H 1 4.07 . . 1 . . . . . . . . 2196 1 109 . 1 1 17 17 SER HB3 H 1 4.07 . . 1 . . . . . . . . 2196 1 110 . 1 1 18 18 VAL H H 1 8.8 . . 1 . . . . . . . . 2196 1 111 . 1 1 18 18 VAL HA H 1 3.84 . . 1 . . . . . . . . 2196 1 112 . 1 1 18 18 VAL HB H 1 2.16 . . 1 . . . . . . . . 2196 1 113 . 1 1 18 18 VAL HG11 H 1 1.15 . . 2 . . . . . . . . 2196 1 114 . 1 1 18 18 VAL HG12 H 1 1.15 . . 2 . . . . . . . . 2196 1 115 . 1 1 18 18 VAL HG13 H 1 1.15 . . 2 . . . . . . . . 2196 1 116 . 1 1 18 18 VAL HG21 H 1 1.07 . . 2 . . . . . . . . 2196 1 117 . 1 1 18 18 VAL HG22 H 1 1.07 . . 2 . . . . . . . . 2196 1 118 . 1 1 18 18 VAL HG23 H 1 1.07 . . 2 . . . . . . . . 2196 1 119 . 1 1 19 19 VAL H H 1 6.87 . . 1 . . . . . . . . 2196 1 120 . 1 1 19 19 VAL HA H 1 3.63 . . 1 . . . . . . . . 2196 1 121 . 1 1 19 19 VAL HB H 1 2.21 . . 1 . . . . . . . . 2196 1 122 . 1 1 19 19 VAL HG11 H 1 1 . . 2 . . . . . . . . 2196 1 123 . 1 1 19 19 VAL HG12 H 1 1 . . 2 . . . . . . . . 2196 1 124 . 1 1 19 19 VAL HG13 H 1 1 . . 2 . . . . . . . . 2196 1 125 . 1 1 19 19 VAL HG21 H 1 .58 . . 2 . . . . . . . . 2196 1 126 . 1 1 19 19 VAL HG22 H 1 .58 . . 2 . . . . . . . . 2196 1 127 . 1 1 19 19 VAL HG23 H 1 .58 . . 2 . . . . . . . . 2196 1 128 . 1 1 20 20 LYS H H 1 7.84 . . 1 . . . . . . . . 2196 1 129 . 1 1 20 20 LYS HA H 1 3.64 . . 1 . . . . . . . . 2196 1 130 . 1 1 20 20 LYS HB2 H 1 2.03 . . 1 . . . . . . . . 2196 1 131 . 1 1 20 20 LYS HB3 H 1 2.03 . . 1 . . . . . . . . 2196 1 132 . 1 1 21 21 LYS H H 1 7.86 . . 1 . . . . . . . . 2196 1 133 . 1 1 21 21 LYS HA H 1 4.06 . . 1 . . . . . . . . 2196 1 134 . 1 1 22 22 CYS H H 1 7.93 . . 1 . . . . . . . . 2196 1 135 . 1 1 22 22 CYS HA H 1 4.51 . . 1 . . . . . . . . 2196 1 136 . 1 1 22 22 CYS HB2 H 1 3.33 . . 2 . . . . . . . . 2196 1 137 . 1 1 22 22 CYS HB3 H 1 4.41 . . 2 . . . . . . . . 2196 1 138 . 1 1 23 23 CYS H H 1 7.49 . . 1 . . . . . . . . 2196 1 139 . 1 1 23 23 CYS HA H 1 4.2 . . 1 . . . . . . . . 2196 1 140 . 1 1 23 23 CYS HB2 H 1 2.9 . . 2 . . . . . . . . 2196 1 141 . 1 1 23 23 CYS HB3 H 1 3.33 . . 2 . . . . . . . . 2196 1 142 . 1 1 24 24 TYR H H 1 8.06 . . 1 . . . . . . . . 2196 1 143 . 1 1 24 24 TYR HA H 1 4.14 . . 1 . . . . . . . . 2196 1 144 . 1 1 24 24 TYR HB2 H 1 3.17 . . 2 . . . . . . . . 2196 1 145 . 1 1 24 24 TYR HB3 H 1 2.95 . . 2 . . . . . . . . 2196 1 146 . 1 1 24 24 TYR HD1 H 1 7.04 . . 1 . . . . . . . . 2196 1 147 . 1 1 24 24 TYR HD2 H 1 7.04 . . 1 . . . . . . . . 2196 1 148 . 1 1 24 24 TYR HE1 H 1 6.68 . . 1 . . . . . . . . 2196 1 149 . 1 1 24 24 TYR HE2 H 1 6.68 . . 1 . . . . . . . . 2196 1 150 . 1 1 25 25 ASP H H 1 8.96 . . 1 . . . . . . . . 2196 1 151 . 1 1 25 25 ASP HA H 1 4.57 . . 1 . . . . . . . . 2196 1 152 . 1 1 25 25 ASP HB2 H 1 3.12 . . 2 . . . . . . . . 2196 1 153 . 1 1 25 25 ASP HB3 H 1 3.33 . . 2 . . . . . . . . 2196 1 154 . 1 1 26 26 GLY H H 1 7.89 . . 1 . . . . . . . . 2196 1 155 . 1 1 26 26 GLY HA2 H 1 2.97 . . 2 . . . . . . . . 2196 1 156 . 1 1 26 26 GLY HA3 H 1 2.34 . . 2 . . . . . . . . 2196 1 157 . 1 1 27 27 ALA H H 1 7.62 . . 1 . . . . . . . . 2196 1 158 . 1 1 27 27 ALA HA H 1 3.98 . . 1 . . . . . . . . 2196 1 159 . 1 1 27 27 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 2196 1 160 . 1 1 27 27 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 2196 1 161 . 1 1 27 27 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 2196 1 162 . 1 1 28 28 CYS H H 1 7.38 . . 1 . . . . . . . . 2196 1 163 . 1 1 28 28 CYS HA H 1 4.56 . . 1 . . . . . . . . 2196 1 164 . 1 1 28 28 CYS HB2 H 1 3.05 . . 2 . . . . . . . . 2196 1 165 . 1 1 28 28 CYS HB3 H 1 3.28 . . 2 . . . . . . . . 2196 1 166 . 1 1 29 29 VAL H H 1 8.34 . . 1 . . . . . . . . 2196 1 167 . 1 1 29 29 VAL HA H 1 3.88 . . 1 . . . . . . . . 2196 1 168 . 1 1 29 29 VAL HB H 1 2.02 . . 1 . . . . . . . . 2196 1 169 . 1 1 29 29 VAL HG11 H 1 .96 . . 2 . . . . . . . . 2196 1 170 . 1 1 29 29 VAL HG12 H 1 .96 . . 2 . . . . . . . . 2196 1 171 . 1 1 29 29 VAL HG13 H 1 .96 . . 2 . . . . . . . . 2196 1 172 . 1 1 29 29 VAL HG21 H 1 1.03 . . 2 . . . . . . . . 2196 1 173 . 1 1 29 29 VAL HG22 H 1 1.03 . . 2 . . . . . . . . 2196 1 174 . 1 1 29 29 VAL HG23 H 1 1.03 . . 2 . . . . . . . . 2196 1 175 . 1 1 30 30 ASN H H 1 8.71 . . 1 . . . . . . . . 2196 1 176 . 1 1 30 30 ASN HA H 1 4.67 . . 1 . . . . . . . . 2196 1 177 . 1 1 30 30 ASN HB2 H 1 2.68 . . 2 . . . . . . . . 2196 1 178 . 1 1 30 30 ASN HB3 H 1 2.86 . . 2 . . . . . . . . 2196 1 179 . 1 1 30 30 ASN HD21 H 1 6.96 . . 2 . . . . . . . . 2196 1 180 . 1 1 30 30 ASN HD22 H 1 7.63 . . 2 . . . . . . . . 2196 1 181 . 1 1 31 31 ASN H H 1 8.88 . . 1 . . . . . . . . 2196 1 182 . 1 1 31 31 ASN HA H 1 4.75 . . 1 . . . . . . . . 2196 1 183 . 1 1 31 31 ASN HB2 H 1 2.74 . . 2 . . . . . . . . 2196 1 184 . 1 1 31 31 ASN HB3 H 1 2.97 . . 2 . . . . . . . . 2196 1 185 . 1 1 31 31 ASN HD21 H 1 6.89 . . 2 . . . . . . . . 2196 1 186 . 1 1 31 31 ASN HD22 H 1 7.69 . . 2 . . . . . . . . 2196 1 187 . 1 1 32 32 ASP H H 1 8.58 . . 1 . . . . . . . . 2196 1 188 . 1 1 32 32 ASP HA H 1 4.84 . . 1 . . . . . . . . 2196 1 189 . 1 1 32 32 ASP HB2 H 1 2.98 . . 1 . . . . . . . . 2196 1 190 . 1 1 32 32 ASP HB3 H 1 2.98 . . 1 . . . . . . . . 2196 1 191 . 1 1 33 33 GLU H H 1 7.56 . . 1 . . . . . . . . 2196 1 192 . 1 1 33 33 GLU HA H 1 4.81 . . 1 . . . . . . . . 2196 1 193 . 1 1 33 33 GLU HB2 H 1 2.44 . . 1 . . . . . . . . 2196 1 194 . 1 1 33 33 GLU HB3 H 1 2.44 . . 1 . . . . . . . . 2196 1 195 . 1 1 33 33 GLU HG2 H 1 1.75 . . 1 . . . . . . . . 2196 1 196 . 1 1 33 33 GLU HG3 H 1 1.75 . . 1 . . . . . . . . 2196 1 197 . 1 1 34 34 THR H H 1 8.76 . . 1 . . . . . . . . 2196 1 198 . 1 1 34 34 THR HA H 1 4.5 . . 1 . . . . . . . . 2196 1 199 . 1 1 34 34 THR HB H 1 4.86 . . 1 . . . . . . . . 2196 1 200 . 1 1 34 34 THR HG21 H 1 1.38 . . 1 . . . . . . . . 2196 1 201 . 1 1 34 34 THR HG22 H 1 1.38 . . 1 . . . . . . . . 2196 1 202 . 1 1 34 34 THR HG23 H 1 1.38 . . 1 . . . . . . . . 2196 1 203 . 1 1 35 35 CYS H H 1 9.2 . . 1 . . . . . . . . 2196 1 204 . 1 1 35 35 CYS HA H 1 4.51 . . 1 . . . . . . . . 2196 1 205 . 1 1 35 35 CYS HB2 H 1 2.92 . . 2 . . . . . . . . 2196 1 206 . 1 1 35 35 CYS HB3 H 1 3.08 . . 2 . . . . . . . . 2196 1 207 . 1 1 36 36 GLU H H 1 8.66 . . 1 . . . . . . . . 2196 1 208 . 1 1 36 36 GLU HA H 1 4.13 . . 1 . . . . . . . . 2196 1 209 . 1 1 36 36 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 2196 1 210 . 1 1 36 36 GLU HB3 H 1 2.15 . . 2 . . . . . . . . 2196 1 211 . 1 1 36 36 GLU HG2 H 1 2.59 . . 1 . . . . . . . . 2196 1 212 . 1 1 36 36 GLU HG3 H 1 2.59 . . 1 . . . . . . . . 2196 1 213 . 1 1 37 37 GLN H H 1 7.88 . . 1 . . . . . . . . 2196 1 214 . 1 1 37 37 GLN HA H 1 3.98 . . 1 . . . . . . . . 2196 1 215 . 1 1 37 37 GLN HB2 H 1 2.35 . . 1 . . . . . . . . 2196 1 216 . 1 1 37 37 GLN HB3 H 1 2.35 . . 1 . . . . . . . . 2196 1 217 . 1 1 37 37 GLN HG2 H 1 2.49 . . 1 . . . . . . . . 2196 1 218 . 1 1 37 37 GLN HG3 H 1 2.49 . . 1 . . . . . . . . 2196 1 219 . 1 1 37 37 GLN HE21 H 1 6.96 . . 2 . . . . . . . . 2196 1 220 . 1 1 37 37 GLN HE22 H 1 7.62 . . 2 . . . . . . . . 2196 1 221 . 1 1 38 38 ARG H H 1 8.28 . . 1 . . . . . . . . 2196 1 222 . 1 1 38 38 ARG HA H 1 3.92 . . 1 . . . . . . . . 2196 1 223 . 1 1 38 38 ARG HB2 H 1 2.08 . . 2 . . . . . . . . 2196 1 224 . 1 1 38 38 ARG HB3 H 1 2.4 . . 2 . . . . . . . . 2196 1 225 . 1 1 38 38 ARG HD2 H 1 3.31 . . 1 . . . . . . . . 2196 1 226 . 1 1 38 38 ARG HD3 H 1 3.31 . . 1 . . . . . . . . 2196 1 227 . 1 1 38 38 ARG HE H 1 7.24 . . 1 . . . . . . . . 2196 1 228 . 1 1 39 39 ALA H H 1 8.44 . . 1 . . . . . . . . 2196 1 229 . 1 1 39 39 ALA HA H 1 3.41 . . 1 . . . . . . . . 2196 1 230 . 1 1 39 39 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 2196 1 231 . 1 1 39 39 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 2196 1 232 . 1 1 39 39 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 2196 1 233 . 1 1 40 40 ALA H H 1 7.24 . . 1 . . . . . . . . 2196 1 234 . 1 1 40 40 ALA HA H 1 4.14 . . 1 . . . . . . . . 2196 1 235 . 1 1 40 40 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 2196 1 236 . 1 1 40 40 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 2196 1 237 . 1 1 40 40 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 2196 1 238 . 1 1 41 41 ARG H H 1 7.12 . . 1 . . . . . . . . 2196 1 239 . 1 1 41 41 ARG HA H 1 4.35 . . 1 . . . . . . . . 2196 1 240 . 1 1 41 41 ARG HB2 H 1 2.08 . . 1 . . . . . . . . 2196 1 241 . 1 1 41 41 ARG HB3 H 1 2.08 . . 1 . . . . . . . . 2196 1 242 . 1 1 41 41 ARG HD2 H 1 3.21 . . 1 . . . . . . . . 2196 1 243 . 1 1 41 41 ARG HD3 H 1 3.21 . . 1 . . . . . . . . 2196 1 244 . 1 1 41 41 ARG HE H 1 7.24 . . 1 . . . . . . . . 2196 1 245 . 1 1 42 42 ILE H H 1 7.26 . . 1 . . . . . . . . 2196 1 246 . 1 1 42 42 ILE HA H 1 3.94 . . 1 . . . . . . . . 2196 1 247 . 1 1 42 42 ILE HB H 1 1.9 . . 1 . . . . . . . . 2196 1 248 . 1 1 42 42 ILE HG12 H 1 .9 . . 2 . . . . . . . . 2196 1 249 . 1 1 42 42 ILE HG13 H 1 1.13 . . 2 . . . . . . . . 2196 1 250 . 1 1 42 42 ILE HG21 H 1 .86 . . 1 . . . . . . . . 2196 1 251 . 1 1 42 42 ILE HG22 H 1 .86 . . 1 . . . . . . . . 2196 1 252 . 1 1 42 42 ILE HG23 H 1 .86 . . 1 . . . . . . . . 2196 1 253 . 1 1 42 42 ILE HD11 H 1 .25 . . 1 . . . . . . . . 2196 1 254 . 1 1 42 42 ILE HD12 H 1 .25 . . 1 . . . . . . . . 2196 1 255 . 1 1 42 42 ILE HD13 H 1 .25 . . 1 . . . . . . . . 2196 1 256 . 1 1 43 43 SER H H 1 9.05 . . 1 . . . . . . . . 2196 1 257 . 1 1 43 43 SER HA H 1 4.71 . . 1 . . . . . . . . 2196 1 258 . 1 1 43 43 SER HB2 H 1 4.05 . . 2 . . . . . . . . 2196 1 259 . 1 1 43 43 SER HB3 H 1 3.8 . . 2 . . . . . . . . 2196 1 260 . 1 1 44 44 LEU H H 1 6.6 . . 1 . . . . . . . . 2196 1 261 . 1 1 44 44 LEU HA H 1 4.38 . . 1 . . . . . . . . 2196 1 262 . 1 1 44 44 LEU HB2 H 1 1.7 . . 1 . . . . . . . . 2196 1 263 . 1 1 44 44 LEU HB3 H 1 1.7 . . 1 . . . . . . . . 2196 1 264 . 1 1 44 44 LEU HD11 H 1 .89 . . 2 . . . . . . . . 2196 1 265 . 1 1 44 44 LEU HD12 H 1 .89 . . 2 . . . . . . . . 2196 1 266 . 1 1 44 44 LEU HD13 H 1 .89 . . 2 . . . . . . . . 2196 1 267 . 1 1 44 44 LEU HD21 H 1 .97 . . 2 . . . . . . . . 2196 1 268 . 1 1 44 44 LEU HD22 H 1 .97 . . 2 . . . . . . . . 2196 1 269 . 1 1 44 44 LEU HD23 H 1 .97 . . 2 . . . . . . . . 2196 1 270 . 1 1 45 45 GLY H H 1 8.39 . . 1 . . . . . . . . 2196 1 271 . 1 1 45 45 GLY HA2 H 1 4.52 . . 2 . . . . . . . . 2196 1 272 . 1 1 45 45 GLY HA3 H 1 3.95 . . 2 . . . . . . . . 2196 1 273 . 1 1 46 46 PRO HA H 1 4.23 . . 1 . . . . . . . . 2196 1 274 . 1 1 46 46 PRO HB2 H 1 2.26 . . 2 . . . . . . . . 2196 1 275 . 1 1 46 46 PRO HB3 H 1 2.38 . . 2 . . . . . . . . 2196 1 276 . 1 1 46 46 PRO HD2 H 1 3.64 . . 2 . . . . . . . . 2196 1 277 . 1 1 46 46 PRO HD3 H 1 3.86 . . 2 . . . . . . . . 2196 1 278 . 1 1 47 47 ARG H H 1 8.55 . . 1 . . . . . . . . 2196 1 279 . 1 1 47 47 ARG HA H 1 4.17 . . 1 . . . . . . . . 2196 1 280 . 1 1 47 47 ARG HB2 H 1 1.9 . . 1 . . . . . . . . 2196 1 281 . 1 1 47 47 ARG HB3 H 1 1.9 . . 1 . . . . . . . . 2196 1 282 . 1 1 47 47 ARG HD2 H 1 3.38 . . 1 . . . . . . . . 2196 1 283 . 1 1 47 47 ARG HD3 H 1 3.38 . . 1 . . . . . . . . 2196 1 284 . 1 1 47 47 ARG HE H 1 7.47 . . 1 . . . . . . . . 2196 1 285 . 1 1 48 48 CYS H H 1 8.05 . . 1 . . . . . . . . 2196 1 286 . 1 1 48 48 CYS HA H 1 4.19 . . 1 . . . . . . . . 2196 1 287 . 1 1 48 48 CYS HB2 H 1 3.08 . . 1 . . . . . . . . 2196 1 288 . 1 1 48 48 CYS HB3 H 1 3.08 . . 1 . . . . . . . . 2196 1 289 . 1 1 49 49 ILE H H 1 8.13 . . 1 . . . . . . . . 2196 1 290 . 1 1 49 49 ILE HA H 1 3.52 . . 1 . . . . . . . . 2196 1 291 . 1 1 49 49 ILE HB H 1 1.8 . . 1 . . . . . . . . 2196 1 292 . 1 1 49 49 ILE HG12 H 1 1.03 . . 2 . . . . . . . . 2196 1 293 . 1 1 49 49 ILE HG13 H 1 1.56 . . 2 . . . . . . . . 2196 1 294 . 1 1 49 49 ILE HG21 H 1 .88 . . 1 . . . . . . . . 2196 1 295 . 1 1 49 49 ILE HG22 H 1 .88 . . 1 . . . . . . . . 2196 1 296 . 1 1 49 49 ILE HG23 H 1 .88 . . 1 . . . . . . . . 2196 1 297 . 1 1 49 49 ILE HD11 H 1 .78 . . 1 . . . . . . . . 2196 1 298 . 1 1 49 49 ILE HD12 H 1 .78 . . 1 . . . . . . . . 2196 1 299 . 1 1 49 49 ILE HD13 H 1 .78 . . 1 . . . . . . . . 2196 1 300 . 1 1 50 50 LYS H H 1 8.37 . . 1 . . . . . . . . 2196 1 301 . 1 1 50 50 LYS HA H 1 4.12 . . 1 . . . . . . . . 2196 1 302 . 1 1 50 50 LYS HB2 H 1 2 . . 1 . . . . . . . . 2196 1 303 . 1 1 50 50 LYS HB3 H 1 2 . . 1 . . . . . . . . 2196 1 304 . 1 1 51 51 ALA H H 1 7.68 . . 1 . . . . . . . . 2196 1 305 . 1 1 51 51 ALA HA H 1 4.21 . . 1 . . . . . . . . 2196 1 306 . 1 1 51 51 ALA HB1 H 1 .94 . . 1 . . . . . . . . 2196 1 307 . 1 1 51 51 ALA HB2 H 1 .94 . . 1 . . . . . . . . 2196 1 308 . 1 1 51 51 ALA HB3 H 1 .94 . . 1 . . . . . . . . 2196 1 309 . 1 1 52 52 PHE H H 1 9.07 . . 1 . . . . . . . . 2196 1 310 . 1 1 52 52 PHE HA H 1 4.13 . . 1 . . . . . . . . 2196 1 311 . 1 1 52 52 PHE HB2 H 1 2.95 . . 2 . . . . . . . . 2196 1 312 . 1 1 52 52 PHE HB3 H 1 3.28 . . 2 . . . . . . . . 2196 1 313 . 1 1 52 52 PHE HD1 H 1 7.28 . . 1 . . . . . . . . 2196 1 314 . 1 1 52 52 PHE HD2 H 1 7.28 . . 1 . . . . . . . . 2196 1 315 . 1 1 52 52 PHE HE1 H 1 7.28 . . 1 . . . . . . . . 2196 1 316 . 1 1 52 52 PHE HE2 H 1 7.28 . . 1 . . . . . . . . 2196 1 317 . 1 1 52 52 PHE HZ H 1 7.22 . . 1 . . . . . . . . 2196 1 318 . 1 1 53 53 THR H H 1 8.7 . . 1 . . . . . . . . 2196 1 319 . 1 1 53 53 THR HA H 1 3.66 . . 1 . . . . . . . . 2196 1 320 . 1 1 53 53 THR HB H 1 4.38 . . 1 . . . . . . . . 2196 1 321 . 1 1 53 53 THR HG21 H 1 1.28 . . 1 . . . . . . . . 2196 1 322 . 1 1 53 53 THR HG22 H 1 1.28 . . 1 . . . . . . . . 2196 1 323 . 1 1 53 53 THR HG23 H 1 1.28 . . 1 . . . . . . . . 2196 1 324 . 1 1 54 54 GLU H H 1 8.4 . . 1 . . . . . . . . 2196 1 325 . 1 1 54 54 GLU HA H 1 4.15 . . 1 . . . . . . . . 2196 1 326 . 1 1 54 54 GLU HB2 H 1 2.2 . . 2 . . . . . . . . 2196 1 327 . 1 1 54 54 GLU HB3 H 1 2.33 . . 2 . . . . . . . . 2196 1 328 . 1 1 54 54 GLU HG2 H 1 2.54 . . 1 . . . . . . . . 2196 1 329 . 1 1 54 54 GLU HG3 H 1 2.54 . . 1 . . . . . . . . 2196 1 330 . 1 1 55 55 CYS H H 1 8.43 . . 1 . . . . . . . . 2196 1 331 . 1 1 55 55 CYS HA H 1 4.04 . . 1 . . . . . . . . 2196 1 332 . 1 1 55 55 CYS HB2 H 1 2.92 . . 2 . . . . . . . . 2196 1 333 . 1 1 55 55 CYS HB3 H 1 3.78 . . 2 . . . . . . . . 2196 1 334 . 1 1 56 56 CYS H H 1 8.53 . . 1 . . . . . . . . 2196 1 335 . 1 1 56 56 CYS HA H 1 4.03 . . 1 . . . . . . . . 2196 1 336 . 1 1 56 56 CYS HB2 H 1 2.57 . . 2 . . . . . . . . 2196 1 337 . 1 1 56 56 CYS HB3 H 1 3.13 . . 2 . . . . . . . . 2196 1 338 . 1 1 57 57 VAL H H 1 8.96 . . 1 . . . . . . . . 2196 1 339 . 1 1 57 57 VAL HA H 1 3.69 . . 1 . . . . . . . . 2196 1 340 . 1 1 57 57 VAL HB H 1 2.24 . . 1 . . . . . . . . 2196 1 341 . 1 1 57 57 VAL HG11 H 1 1 . . 2 . . . . . . . . 2196 1 342 . 1 1 57 57 VAL HG12 H 1 1 . . 2 . . . . . . . . 2196 1 343 . 1 1 57 57 VAL HG13 H 1 1 . . 2 . . . . . . . . 2196 1 344 . 1 1 57 57 VAL HG21 H 1 1.17 . . 2 . . . . . . . . 2196 1 345 . 1 1 57 57 VAL HG22 H 1 1.17 . . 2 . . . . . . . . 2196 1 346 . 1 1 57 57 VAL HG23 H 1 1.17 . . 2 . . . . . . . . 2196 1 347 . 1 1 58 58 VAL H H 1 8.02 . . 1 . . . . . . . . 2196 1 348 . 1 1 58 58 VAL HA H 1 3.79 . . 1 . . . . . . . . 2196 1 349 . 1 1 58 58 VAL HB H 1 1.96 . . 1 . . . . . . . . 2196 1 350 . 1 1 58 58 VAL HG11 H 1 .94 . . 2 . . . . . . . . 2196 1 351 . 1 1 58 58 VAL HG12 H 1 .94 . . 2 . . . . . . . . 2196 1 352 . 1 1 58 58 VAL HG13 H 1 .94 . . 2 . . . . . . . . 2196 1 353 . 1 1 58 58 VAL HG21 H 1 1.14 . . 2 . . . . . . . . 2196 1 354 . 1 1 58 58 VAL HG22 H 1 1.14 . . 2 . . . . . . . . 2196 1 355 . 1 1 58 58 VAL HG23 H 1 1.14 . . 2 . . . . . . . . 2196 1 356 . 1 1 59 59 ALA H H 1 8.25 . . 1 . . . . . . . . 2196 1 357 . 1 1 59 59 ALA HA H 1 4.05 . . 1 . . . . . . . . 2196 1 358 . 1 1 59 59 ALA HB1 H 1 1.65 . . 1 . . . . . . . . 2196 1 359 . 1 1 59 59 ALA HB2 H 1 1.65 . . 1 . . . . . . . . 2196 1 360 . 1 1 59 59 ALA HB3 H 1 1.65 . . 1 . . . . . . . . 2196 1 361 . 1 1 60 60 SER H H 1 8.3 . . 1 . . . . . . . . 2196 1 362 . 1 1 60 60 SER HA H 1 4.28 . . 1 . . . . . . . . 2196 1 363 . 1 1 60 60 SER HB2 H 1 4.17 . . 2 . . . . . . . . 2196 1 364 . 1 1 60 60 SER HB3 H 1 4.03 . . 2 . . . . . . . . 2196 1 365 . 1 1 61 61 GLN H H 1 8.14 . . 1 . . . . . . . . 2196 1 366 . 1 1 61 61 GLN HA H 1 4.18 . . 1 . . . . . . . . 2196 1 367 . 1 1 61 61 GLN HB2 H 1 2.44 . . 1 . . . . . . . . 2196 1 368 . 1 1 61 61 GLN HB3 H 1 2.44 . . 1 . . . . . . . . 2196 1 369 . 1 1 61 61 GLN HG2 H 1 2.45 . . 2 . . . . . . . . 2196 1 370 . 1 1 61 61 GLN HG3 H 1 2.63 . . 2 . . . . . . . . 2196 1 371 . 1 1 61 61 GLN HE21 H 1 6.88 . . 2 . . . . . . . . 2196 1 372 . 1 1 61 61 GLN HE22 H 1 7.52 . . 2 . . . . . . . . 2196 1 373 . 1 1 62 62 LEU H H 1 8.21 . . 1 . . . . . . . . 2196 1 374 . 1 1 62 62 LEU HA H 1 4.24 . . 1 . . . . . . . . 2196 1 375 . 1 1 62 62 LEU HB2 H 1 1.45 . . 1 . . . . . . . . 2196 1 376 . 1 1 62 62 LEU HB3 H 1 1.45 . . 1 . . . . . . . . 2196 1 377 . 1 1 62 62 LEU HG H 1 1.63 . . 1 . . . . . . . . 2196 1 378 . 1 1 62 62 LEU HD11 H 1 .95 . . 1 . . . . . . . . 2196 1 379 . 1 1 62 62 LEU HD12 H 1 .95 . . 1 . . . . . . . . 2196 1 380 . 1 1 62 62 LEU HD13 H 1 .95 . . 1 . . . . . . . . 2196 1 381 . 1 1 62 62 LEU HD21 H 1 .95 . . 1 . . . . . . . . 2196 1 382 . 1 1 62 62 LEU HD22 H 1 .95 . . 1 . . . . . . . . 2196 1 383 . 1 1 62 62 LEU HD23 H 1 .95 . . 1 . . . . . . . . 2196 1 384 . 1 1 63 63 ARG H H 1 8.23 . . 1 . . . . . . . . 2196 1 385 . 1 1 63 63 ARG HA H 1 4.16 . . 1 . . . . . . . . 2196 1 386 . 1 1 63 63 ARG HB2 H 1 1.92 . . 1 . . . . . . . . 2196 1 387 . 1 1 63 63 ARG HB3 H 1 1.92 . . 1 . . . . . . . . 2196 1 388 . 1 1 63 63 ARG HD2 H 1 3.27 . . 1 . . . . . . . . 2196 1 389 . 1 1 63 63 ARG HD3 H 1 3.27 . . 1 . . . . . . . . 2196 1 390 . 1 1 63 63 ARG HE H 1 7.49 . . 1 . . . . . . . . 2196 1 391 . 1 1 64 64 ALA H H 1 7.87 . . 1 . . . . . . . . 2196 1 392 . 1 1 64 64 ALA HA H 1 4.28 . . 1 . . . . . . . . 2196 1 393 . 1 1 64 64 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 2196 1 394 . 1 1 64 64 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 2196 1 395 . 1 1 64 64 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 2196 1 396 . 1 1 65 65 ASN H H 1 8.09 . . 1 . . . . . . . . 2196 1 397 . 1 1 65 65 ASN HA H 1 4.67 . . 1 . . . . . . . . 2196 1 398 . 1 1 65 65 ASN HB2 H 1 2.9 . . 2 . . . . . . . . 2196 1 399 . 1 1 65 65 ASN HB3 H 1 2.95 . . 2 . . . . . . . . 2196 1 400 . 1 1 65 65 ASN HD21 H 1 7.06 . . 2 . . . . . . . . 2196 1 401 . 1 1 65 65 ASN HD22 H 1 7.72 . . 2 . . . . . . . . 2196 1 402 . 1 1 66 66 ILE H H 1 7.94 . . 1 . . . . . . . . 2196 1 403 . 1 1 66 66 ILE HA H 1 4.1 . . 1 . . . . . . . . 2196 1 404 . 1 1 66 66 ILE HB H 1 1.97 . . 1 . . . . . . . . 2196 1 405 . 1 1 66 66 ILE HG12 H 1 1.27 . . 2 . . . . . . . . 2196 1 406 . 1 1 66 66 ILE HG13 H 1 1.64 . . 2 . . . . . . . . 2196 1 407 . 1 1 66 66 ILE HG21 H 1 .96 . . 1 . . . . . . . . 2196 1 408 . 1 1 66 66 ILE HG22 H 1 .96 . . 1 . . . . . . . . 2196 1 409 . 1 1 66 66 ILE HG23 H 1 .96 . . 1 . . . . . . . . 2196 1 410 . 1 1 66 66 ILE HD11 H 1 .96 . . 1 . . . . . . . . 2196 1 411 . 1 1 66 66 ILE HD12 H 1 .96 . . 1 . . . . . . . . 2196 1 412 . 1 1 66 66 ILE HD13 H 1 .96 . . 1 . . . . . . . . 2196 1 413 . 1 1 67 67 SER H H 1 8.27 . . 1 . . . . . . . . 2196 1 414 . 1 1 67 67 SER HA H 1 4.39 . . 1 . . . . . . . . 2196 1 415 . 1 1 67 67 SER HB2 H 1 3.91 . . 2 . . . . . . . . 2196 1 416 . 1 1 67 67 SER HB3 H 1 3.95 . . 2 . . . . . . . . 2196 1 417 . 1 1 68 68 HIS H H 1 8.47 . . 1 . . . . . . . . 2196 1 418 . 1 1 68 68 HIS HA H 1 4.72 . . 1 . . . . . . . . 2196 1 419 . 1 1 68 68 HIS HB2 H 1 3.27 . . 2 . . . . . . . . 2196 1 420 . 1 1 68 68 HIS HB3 H 1 3.38 . . 2 . . . . . . . . 2196 1 421 . 1 1 68 68 HIS HD2 H 1 7.36 . . 1 . . . . . . . . 2196 1 422 . 1 1 68 68 HIS HE1 H 1 8.67 . . 1 . . . . . . . . 2196 1 423 . 1 1 69 69 LYS H H 1 8.32 . . 1 . . . . . . . . 2196 1 424 . 1 1 69 69 LYS HA H 1 4.27 . . 1 . . . . . . . . 2196 1 425 . 1 1 69 69 LYS HB2 H 1 1.85 . . 1 . . . . . . . . 2196 1 426 . 1 1 69 69 LYS HB3 H 1 1.85 . . 1 . . . . . . . . 2196 1 427 . 1 1 70 70 ASP H H 1 8.61 . . 1 . . . . . . . . 2196 1 428 . 1 1 70 70 ASP HA H 1 4.68 . . 1 . . . . . . . . 2196 1 429 . 1 1 70 70 ASP HB2 H 1 2.92 . . 2 . . . . . . . . 2196 1 430 . 1 1 70 70 ASP HB3 H 1 3.03 . . 2 . . . . . . . . 2196 1 431 . 1 1 71 71 MET H H 1 8.41 . . 1 . . . . . . . . 2196 1 432 . 1 1 71 71 MET HA H 1 4.48 . . 1 . . . . . . . . 2196 1 433 . 1 1 71 71 MET HB2 H 1 2.05 . . 2 . . . . . . . . 2196 1 434 . 1 1 71 71 MET HB3 H 1 2.16 . . 2 . . . . . . . . 2196 1 435 . 1 1 71 71 MET HG2 H 1 2.56 . . 2 . . . . . . . . 2196 1 436 . 1 1 71 71 MET HG3 H 1 2.65 . . 2 . . . . . . . . 2196 1 437 . 1 1 71 71 MET HE1 H 1 2.09 . . 1 . . . . . . . . 2196 1 438 . 1 1 71 71 MET HE2 H 1 2.09 . . 1 . . . . . . . . 2196 1 439 . 1 1 71 71 MET HE3 H 1 2.09 . . 1 . . . . . . . . 2196 1 440 . 1 1 72 72 GLN H H 1 8.35 . . 1 . . . . . . . . 2196 1 441 . 1 1 72 72 GLN HA H 1 4.34 . . 1 . . . . . . . . 2196 1 442 . 1 1 72 72 GLN HB2 H 1 2.11 . . 1 . . . . . . . . 2196 1 443 . 1 1 72 72 GLN HB3 H 1 2.11 . . 1 . . . . . . . . 2196 1 444 . 1 1 72 72 GLN HG2 H 1 2.4 . . 1 . . . . . . . . 2196 1 445 . 1 1 72 72 GLN HG3 H 1 2.4 . . 1 . . . . . . . . 2196 1 446 . 1 1 72 72 GLN HE21 H 1 6.42 . . 2 . . . . . . . . 2196 1 447 . 1 1 72 72 GLN HE22 H 1 7.67 . . 2 . . . . . . . . 2196 1 448 . 1 1 73 73 LEU H H 1 8.3 . . 1 . . . . . . . . 2196 1 449 . 1 1 73 73 LEU HA H 1 4.36 . . 1 . . . . . . . . 2196 1 450 . 1 1 73 73 LEU HD11 H 1 1 . . 1 . . . . . . . . 2196 1 451 . 1 1 73 73 LEU HD12 H 1 1 . . 1 . . . . . . . . 2196 1 452 . 1 1 73 73 LEU HD13 H 1 1 . . 1 . . . . . . . . 2196 1 453 . 1 1 73 73 LEU HD21 H 1 1 . . 1 . . . . . . . . 2196 1 454 . 1 1 73 73 LEU HD22 H 1 1 . . 1 . . . . . . . . 2196 1 455 . 1 1 73 73 LEU HD23 H 1 1 . . 1 . . . . . . . . 2196 1 456 . 1 1 74 74 GLY H H 1 8.53 . . 1 . . . . . . . . 2196 1 457 . 1 1 74 74 GLY HA2 H 1 3.98 . . 1 . . . . . . . . 2196 1 458 . 1 1 74 74 GLY HA3 H 1 3.98 . . 1 . . . . . . . . 2196 1 459 . 1 1 75 75 ARG H H 1 8.18 . . 1 . . . . . . . . 2196 1 460 . 1 1 75 75 ARG HA H 1 4.42 . . 1 . . . . . . . . 2196 1 461 . 1 1 75 75 ARG HB2 H 1 1.8 . . 1 . . . . . . . . 2196 1 462 . 1 1 75 75 ARG HB3 H 1 1.8 . . 1 . . . . . . . . 2196 1 stop_ save_