data_5503 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5503 _Entry.Title ; 1H resonance assignment of the C-terminal domain of Human Centrin2 (LC-HsCen2: M84-Y172) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-08-20 _Entry.Accession_date 2002-08-20 _Entry.Last_release_date 2003-03-14 _Entry.Original_release_date 2003-03-14 _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 . _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 E. Matei . . . 5503 2 S. Miron . . . 5503 3 Y. Blouquit . . . 5503 4 P. Duchambon . . . 5503 5 P. Durussel . . . 5503 6 J. Cox . A. . 5503 7 C. Craescu . T. . 5503 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5503 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 540 5503 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 1 . . 2003-03-14 2002-08-20 original author . 5503 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5503 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22466550 _Citation.DOI . _Citation.PubMed_ID 12578356 _Citation.Full_citation . _Citation.Title 'C-terminal Half of Human Centrin 2 Behaves like a Regulatory EF-hand Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 6 _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 1439 _Citation.Page_last 1450 _Citation.Year 2003 _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 E. Matei . . . 5503 1 2 S. Miron . . . 5503 1 3 Y. Blouquit . . . 5503 1 4 P. Duchambon . . . 5503 1 5 P. Durussel . . . 5503 1 6 J. Cox . A. . 5503 1 7 C. Craescu . T. . 5503 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR, nuclear magnetic resonance' 5503 1 protein 5503 1 'resonance assignment' 5503 1 'human centrin' 5503 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_human_centrin2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_human_centrin2 _Assembly.Entry_ID 5503 _Assembly.ID 1 _Assembly.Name 'Human centrin2' _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 'not present' _Assembly.Molecular_mass . _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 5503 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 'Human centrin2' 1 $HsCen2 . . . . . . . . . 5503 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 . PDB 1M39 . . . . . . 5503 1 . SWISS-PROT P41208 . . . . . . 5503 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Human centrin2' system 5503 1 HsCen2 abbreviation 5503 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HsCen2 _Entity.Sf_category entity _Entity.Sf_framecode HsCen2 _Entity.Entry_ID 5503 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human centrin2' _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 ; MNFGDFLTVMTQKMSEKDTK EEILKAFKLFDDDETGKISF KNLKRVAKELGENLTDEELQ EMIDEADRDGDGEVSEQEFL RIMKKTSLY ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-01-28 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 15755 . C-HsCen2 . . . . . 88.76 79 100.00 100.00 1.48e-45 . . . . 5503 1 2 no PDB 1M39 . "Solution Structure Of The C-Terminal Fragment (F86-I165) Of The Human Centrin 2 In Calcium Saturated Form" . . . . . 100.00 89 100.00 100.00 1.11e-53 . . . . 5503 1 3 no PDB 2A4J . "Solution Structure Of The C-Terminal Domain (T94-Y172) Of The Human Centrin 2 In Complex With A 17 Residues Peptide (P1-Xpc) Fr" . . . . . 87.64 79 100.00 100.00 2.48e-44 . . . . 5503 1 4 no PDB 2K2I . "Nmr Solution Structure Of The C-Terminal Domain (T94-Y172) Of The Human Centrin 2 In Complex With A Repeat Sequence Of Human Sf" . . . . . 87.64 79 100.00 100.00 2.48e-44 . . . . 5503 1 5 no GB EPY78459 . "hypothetical protein CB1_001064001 [Camelus ferus]" . . . . . 100.00 116 97.75 98.88 6.78e-52 . . . . 5503 1 6 no GB ERE65656 . "centrin-2-like protein [Cricetulus griseus]" . . . . . 100.00 116 97.75 98.88 6.78e-52 . . . . 5503 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Human centrin2' common 5503 1 'Caltractin, isoform 1' variant 5503 1 HsCen2 abbreviation 5503 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 84 MET . 5503 1 2 85 ASN . 5503 1 3 86 PHE . 5503 1 4 87 GLY . 5503 1 5 88 ASP . 5503 1 6 89 PHE . 5503 1 7 90 LEU . 5503 1 8 91 THR . 5503 1 9 92 VAL . 5503 1 10 93 MET . 5503 1 11 94 THR . 5503 1 12 95 GLN . 5503 1 13 96 LYS . 5503 1 14 97 MET . 5503 1 15 98 SER . 5503 1 16 99 GLU . 5503 1 17 100 LYS . 5503 1 18 101 ASP . 5503 1 19 102 THR . 5503 1 20 103 LYS . 5503 1 21 104 GLU . 5503 1 22 105 GLU . 5503 1 23 106 ILE . 5503 1 24 107 LEU . 5503 1 25 108 LYS . 5503 1 26 109 ALA . 5503 1 27 110 PHE . 5503 1 28 111 LYS . 5503 1 29 112 LEU . 5503 1 30 113 PHE . 5503 1 31 114 ASP . 5503 1 32 115 ASP . 5503 1 33 116 ASP . 5503 1 34 117 GLU . 5503 1 35 118 THR . 5503 1 36 119 GLY . 5503 1 37 120 LYS . 5503 1 38 121 ILE . 5503 1 39 122 SER . 5503 1 40 123 PHE . 5503 1 41 124 LYS . 5503 1 42 125 ASN . 5503 1 43 126 LEU . 5503 1 44 127 LYS . 5503 1 45 128 ARG . 5503 1 46 129 VAL . 5503 1 47 130 ALA . 5503 1 48 131 LYS . 5503 1 49 132 GLU . 5503 1 50 133 LEU . 5503 1 51 134 GLY . 5503 1 52 135 GLU . 5503 1 53 136 ASN . 5503 1 54 137 LEU . 5503 1 55 138 THR . 5503 1 56 139 ASP . 5503 1 57 140 GLU . 5503 1 58 141 GLU . 5503 1 59 142 LEU . 5503 1 60 143 GLN . 5503 1 61 144 GLU . 5503 1 62 145 MET . 5503 1 63 146 ILE . 5503 1 64 147 ASP . 5503 1 65 148 GLU . 5503 1 66 149 ALA . 5503 1 67 150 ASP . 5503 1 68 151 ARG . 5503 1 69 152 ASP . 5503 1 70 153 GLY . 5503 1 71 154 ASP . 5503 1 72 155 GLY . 5503 1 73 156 GLU . 5503 1 74 157 VAL . 5503 1 75 158 SER . 5503 1 76 159 GLU . 5503 1 77 160 GLN . 5503 1 78 161 GLU . 5503 1 79 162 PHE . 5503 1 80 163 LEU . 5503 1 81 164 ARG . 5503 1 82 165 ILE . 5503 1 83 166 MET . 5503 1 84 167 LYS . 5503 1 85 168 LYS . 5503 1 86 169 THR . 5503 1 87 170 SER . 5503 1 88 171 LEU . 5503 1 89 172 TYR . 5503 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 5503 1 . ASN 2 2 5503 1 . PHE 3 3 5503 1 . GLY 4 4 5503 1 . ASP 5 5 5503 1 . PHE 6 6 5503 1 . LEU 7 7 5503 1 . THR 8 8 5503 1 . VAL 9 9 5503 1 . MET 10 10 5503 1 . THR 11 11 5503 1 . GLN 12 12 5503 1 . LYS 13 13 5503 1 . MET 14 14 5503 1 . SER 15 15 5503 1 . GLU 16 16 5503 1 . LYS 17 17 5503 1 . ASP 18 18 5503 1 . THR 19 19 5503 1 . LYS 20 20 5503 1 . GLU 21 21 5503 1 . GLU 22 22 5503 1 . ILE 23 23 5503 1 . LEU 24 24 5503 1 . LYS 25 25 5503 1 . ALA 26 26 5503 1 . PHE 27 27 5503 1 . LYS 28 28 5503 1 . LEU 29 29 5503 1 . PHE 30 30 5503 1 . ASP 31 31 5503 1 . ASP 32 32 5503 1 . ASP 33 33 5503 1 . GLU 34 34 5503 1 . THR 35 35 5503 1 . GLY 36 36 5503 1 . LYS 37 37 5503 1 . ILE 38 38 5503 1 . SER 39 39 5503 1 . PHE 40 40 5503 1 . LYS 41 41 5503 1 . ASN 42 42 5503 1 . LEU 43 43 5503 1 . LYS 44 44 5503 1 . ARG 45 45 5503 1 . VAL 46 46 5503 1 . ALA 47 47 5503 1 . LYS 48 48 5503 1 . GLU 49 49 5503 1 . LEU 50 50 5503 1 . GLY 51 51 5503 1 . GLU 52 52 5503 1 . ASN 53 53 5503 1 . LEU 54 54 5503 1 . THR 55 55 5503 1 . ASP 56 56 5503 1 . GLU 57 57 5503 1 . GLU 58 58 5503 1 . LEU 59 59 5503 1 . GLN 60 60 5503 1 . GLU 61 61 5503 1 . MET 62 62 5503 1 . ILE 63 63 5503 1 . ASP 64 64 5503 1 . GLU 65 65 5503 1 . ALA 66 66 5503 1 . ASP 67 67 5503 1 . ARG 68 68 5503 1 . ASP 69 69 5503 1 . GLY 70 70 5503 1 . ASP 71 71 5503 1 . GLY 72 72 5503 1 . GLU 73 73 5503 1 . VAL 74 74 5503 1 . SER 75 75 5503 1 . GLU 76 76 5503 1 . GLN 77 77 5503 1 . GLU 78 78 5503 1 . PHE 79 79 5503 1 . LEU 80 80 5503 1 . ARG 81 81 5503 1 . ILE 82 82 5503 1 . MET 83 83 5503 1 . LYS 84 84 5503 1 . LYS 85 85 5503 1 . THR 86 86 5503 1 . SER 87 87 5503 1 . LEU 88 88 5503 1 . TYR 89 89 5503 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 5503 _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 $HsCen2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5503 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 5503 _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 $HsCen2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET24a(+) . . . . . . 5503 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 5503 _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 . 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 'Human centrin2' . . . 1 $HsCen2 . . 1.5 . . mM . . . . 5503 1 2 Tris_d11 [U-2H] . . . . . . 20 . . mM . . . . 5503 1 3 NaCl . . . . . . . 100 . . mM . . . . 5503 1 4 H2O . . . . . . . 95 . . % . . . . 5503 1 5 D2O . . . . . . . 5 . . % . . . . 5503 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 5503 _Sample.ID 2 _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 . 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 'Human centrin2' . . . 1 $HsCen2 . . 1.4 . . mM . . . . 5503 2 2 Tris_d11 [U-2H] . . . . . . 20 . . mM . . . . 5503 2 3 NaCl . . . . . . . 100 . . mM . . . . 5503 2 4 H2O . . . . . . . 95 . . % . . . . 5503 2 5 D2O . . . . . . . 5 . . % . . . . 5503 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5503 _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 6.5 . n/a 5503 1 temperature 308 . K 5503 1 'ionic strength' 100 . mM 5503 1 pressure 1 . atm 5503 1 stop_ save_ ############################ # Computer software used # ############################ save_DGII _Software.Sf_category software _Software.Sf_framecode DGII _Software.Entry_ID 5503 _Software.ID 1 _Software.Name DGII _Software.Version I2000 _Software.Details Accelrys loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5503 1 stop_ save_ save_DISCOVER _Software.Sf_category software _Software.Sf_framecode DISCOVER _Software.Entry_ID 5503 _Software.ID 2 _Software.Name DISCOVER _Software.Version I2000 _Software.Details Accelrys loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5503 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5503 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5503 _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 Varian UNITY . 500 . . . 5503 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 5503 _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 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5503 1 2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5503 1 3 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5503 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5503 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5503 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5503 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 5503 _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 1 H2O protons . . . . ppm 4.69 internal direct 1.0 . . . . . . . . . 5503 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5503 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _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 . _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 . 5503 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 4.21 0.01 . 1 . . . . . . . . 5503 1 2 . 1 1 2 2 ASN H H 1 8.92 0.01 . 1 . . . . . . . . 5503 1 3 . 1 1 2 2 ASN HA H 1 5.04 0.01 . 1 . . . . . . . . 5503 1 4 . 1 1 2 2 ASN HB2 H 1 3.34 0.01 . 2 . . . . . . . . 5503 1 5 . 1 1 2 2 ASN HB3 H 1 3.03 0.01 . 2 . . . . . . . . 5503 1 6 . 1 1 2 2 ASN HD21 H 1 7.69 0.01 . 2 . . . . . . . . 5503 1 7 . 1 1 2 2 ASN HD22 H 1 6.82 0.01 . 2 . . . . . . . . 5503 1 8 . 1 1 3 3 PHE H H 1 9.89 0.01 . 1 . . . . . . . . 5503 1 9 . 1 1 3 3 PHE HA H 1 4.55 0.01 . 1 . . . . . . . . 5503 1 10 . 1 1 3 3 PHE HB2 H 1 3.17 0.01 . 2 . . . . . . . . 5503 1 11 . 1 1 3 3 PHE HB3 H 1 3.06 0.01 . 2 . . . . . . . . 5503 1 12 . 1 1 3 3 PHE HD1 H 1 7.34 0.01 . 1 . . . . . . . . 5503 1 13 . 1 1 3 3 PHE HD2 H 1 7.34 0.01 . 1 . . . . . . . . 5503 1 14 . 1 1 3 3 PHE HE1 H 1 6.97 0.01 . 1 . . . . . . . . 5503 1 15 . 1 1 3 3 PHE HE2 H 1 6.97 0.01 . 1 . . . . . . . . 5503 1 16 . 1 1 3 3 PHE HZ H 1 6.79 0.01 . 1 . . . . . . . . 5503 1 17 . 1 1 4 4 GLY H H 1 9.06 0.01 . 1 . . . . . . . . 5503 1 18 . 1 1 4 4 GLY HA2 H 1 3.94 0.01 . 2 . . . . . . . . 5503 1 19 . 1 1 4 4 GLY HA3 H 1 3.66 0.01 . 2 . . . . . . . . 5503 1 20 . 1 1 5 5 ASP H H 1 8.08 0.01 . 1 . . . . . . . . 5503 1 21 . 1 1 5 5 ASP HA H 1 4.51 0.01 . 1 . . . . . . . . 5503 1 22 . 1 1 5 5 ASP HB2 H 1 2.92 0.01 . 2 . . . . . . . . 5503 1 23 . 1 1 5 5 ASP HB3 H 1 2.77 0.01 . 2 . . . . . . . . 5503 1 24 . 1 1 6 6 PHE H H 1 8.10 0.01 . 1 . . . . . . . . 5503 1 25 . 1 1 6 6 PHE HA H 1 4.27 0.01 . 1 . . . . . . . . 5503 1 26 . 1 1 6 6 PHE HB2 H 1 3.42 0.01 . 2 . . . . . . . . 5503 1 27 . 1 1 6 6 PHE HB3 H 1 3.29 0.01 . 2 . . . . . . . . 5503 1 28 . 1 1 6 6 PHE HD1 H 1 7.21 0.01 . 1 . . . . . . . . 5503 1 29 . 1 1 6 6 PHE HD2 H 1 7.21 0.01 . 1 . . . . . . . . 5503 1 30 . 1 1 6 6 PHE HE1 H 1 7.13 0.01 . 1 . . . . . . . . 5503 1 31 . 1 1 6 6 PHE HE2 H 1 7.13 0.01 . 1 . . . . . . . . 5503 1 32 . 1 1 6 6 PHE HZ H 1 6.96 0.01 . 1 . . . . . . . . 5503 1 33 . 1 1 7 7 LEU H H 1 8.57 0.01 . 1 . . . . . . . . 5503 1 34 . 1 1 7 7 LEU HA H 1 4.07 0.01 . 1 . . . . . . . . 5503 1 35 . 1 1 7 7 LEU HB2 H 1 1.90 0.01 . 2 . . . . . . . . 5503 1 36 . 1 1 7 7 LEU HB3 H 1 1.65 0.01 . 2 . . . . . . . . 5503 1 37 . 1 1 7 7 LEU HG H 1 1.82 0.01 . 1 . . . . . . . . 5503 1 38 . 1 1 7 7 LEU HD11 H 1 0.93 0.01 . 2 . . . . . . . . 5503 1 39 . 1 1 7 7 LEU HD12 H 1 0.93 0.01 . 2 . . . . . . . . 5503 1 40 . 1 1 7 7 LEU HD13 H 1 0.93 0.01 . 2 . . . . . . . . 5503 1 41 . 1 1 7 7 LEU HD21 H 1 0.68 0.01 . 2 . . . . . . . . 5503 1 42 . 1 1 7 7 LEU HD22 H 1 0.68 0.01 . 2 . . . . . . . . 5503 1 43 . 1 1 7 7 LEU HD23 H 1 0.68 0.01 . 2 . . . . . . . . 5503 1 44 . 1 1 8 8 THR H H 1 8.03 0.01 . 1 . . . . . . . . 5503 1 45 . 1 1 8 8 THR HA H 1 3.97 0.01 . 1 . . . . . . . . 5503 1 46 . 1 1 8 8 THR HB H 1 4.42 0.01 . 1 . . . . . . . . 5503 1 47 . 1 1 8 8 THR HG21 H 1 1.24 0.01 . 1 . . . . . . . . 5503 1 48 . 1 1 8 8 THR HG22 H 1 1.24 0.01 . 1 . . . . . . . . 5503 1 49 . 1 1 8 8 THR HG23 H 1 1.24 0.01 . 1 . . . . . . . . 5503 1 50 . 1 1 9 9 VAL H H 1 7.58 0.01 . 1 . . . . . . . . 5503 1 51 . 1 1 9 9 VAL HA H 1 3.79 0.01 . 1 . . . . . . . . 5503 1 52 . 1 1 9 9 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . 5503 1 53 . 1 1 9 9 VAL HG11 H 1 1.03 0.01 . 2 . . . . . . . . 5503 1 54 . 1 1 9 9 VAL HG12 H 1 1.03 0.01 . 2 . . . . . . . . 5503 1 55 . 1 1 9 9 VAL HG13 H 1 1.03 0.01 . 2 . . . . . . . . 5503 1 56 . 1 1 9 9 VAL HG21 H 1 0.92 0.01 . 2 . . . . . . . . 5503 1 57 . 1 1 9 9 VAL HG22 H 1 0.92 0.01 . 2 . . . . . . . . 5503 1 58 . 1 1 9 9 VAL HG23 H 1 0.92 0.01 . 2 . . . . . . . . 5503 1 59 . 1 1 10 10 MET H H 1 8.04 0.01 . 1 . . . . . . . . 5503 1 60 . 1 1 10 10 MET HA H 1 4.25 0.01 . 1 . . . . . . . . 5503 1 61 . 1 1 10 10 MET HB2 H 1 2.11 0.01 . 1 . . . . . . . . 5503 1 62 . 1 1 10 10 MET HB3 H 1 2.11 0.01 . 1 . . . . . . . . 5503 1 63 . 1 1 10 10 MET HG2 H 1 2.36 0.01 . 2 . . . . . . . . 5503 1 64 . 1 1 10 10 MET HG3 H 1 2.28 0.01 . 2 . . . . . . . . 5503 1 65 . 1 1 11 11 THR H H 1 8.23 0.01 . 1 . . . . . . . . 5503 1 66 . 1 1 11 11 THR HA H 1 4.14 0.01 . 1 . . . . . . . . 5503 1 67 . 1 1 11 11 THR HB H 1 4.32 0.01 . 1 . . . . . . . . 5503 1 68 . 1 1 11 11 THR HG21 H 1 1.29 0.01 . 1 . . . . . . . . 5503 1 69 . 1 1 11 11 THR HG22 H 1 1.29 0.01 . 1 . . . . . . . . 5503 1 70 . 1 1 11 11 THR HG23 H 1 1.29 0.01 . 1 . . . . . . . . 5503 1 71 . 1 1 12 12 GLN H H 1 7.87 0.01 . 1 . . . . . . . . 5503 1 72 . 1 1 12 12 GLN HA H 1 4.45 0.01 . 1 . . . . . . . . 5503 1 73 . 1 1 12 12 GLN HB2 H 1 2.20 0.01 . 2 . . . . . . . . 5503 1 74 . 1 1 12 12 GLN HB3 H 1 2.04 0.01 . 2 . . . . . . . . 5503 1 75 . 1 1 12 12 GLN HG2 H 1 2.50 0.01 . 2 . . . . . . . . 5503 1 76 . 1 1 12 12 GLN HG3 H 1 2.42 0.01 . 2 . . . . . . . . 5503 1 77 . 1 1 12 12 GLN HE21 H 1 7.42 0.01 . 2 . . . . . . . . 5503 1 78 . 1 1 12 12 GLN HE22 H 1 6.76 0.01 . 2 . . . . . . . . 5503 1 79 . 1 1 13 13 LYS H H 1 7.66 0.01 . 1 . . . . . . . . 5503 1 80 . 1 1 13 13 LYS HA H 1 4.24 0.01 . 1 . . . . . . . . 5503 1 81 . 1 1 13 13 LYS HB2 H 1 1.76 0.01 . 1 . . . . . . . . 5503 1 82 . 1 1 13 13 LYS HB3 H 1 1.76 0.01 . 1 . . . . . . . . 5503 1 83 . 1 1 20 20 LYS H H 1 7.91 0.01 . 1 . . . . . . . . 5503 1 84 . 1 1 20 20 LYS HA H 1 4.04 0.01 . 1 . . . . . . . . 5503 1 85 . 1 1 20 20 LYS HB2 H 1 1.85 0.01 . 1 . . . . . . . . 5503 1 86 . 1 1 20 20 LYS HB3 H 1 1.85 0.01 . 1 . . . . . . . . 5503 1 87 . 1 1 21 21 GLU H H 1 8.36 0.01 . 1 . . . . . . . . 5503 1 88 . 1 1 21 21 GLU HA H 1 4.16 0.01 . 1 . . . . . . . . 5503 1 89 . 1 1 21 21 GLU HB2 H 1 2.06 0.01 . 1 . . . . . . . . 5503 1 90 . 1 1 21 21 GLU HB3 H 1 2.06 0.01 . 1 . . . . . . . . 5503 1 91 . 1 1 21 21 GLU HG2 H 1 2.32 0.01 . 1 . . . . . . . . 5503 1 92 . 1 1 21 21 GLU HG3 H 1 2.32 0.01 . 1 . . . . . . . . 5503 1 93 . 1 1 22 22 GLU H H 1 7.99 0.01 . 1 . . . . . . . . 5503 1 94 . 1 1 22 22 GLU HA H 1 4.24 0.01 . 1 . . . . . . . . 5503 1 95 . 1 1 22 22 GLU HB2 H 1 2.13 0.01 . 1 . . . . . . . . 5503 1 96 . 1 1 22 22 GLU HB3 H 1 2.13 0.01 . 1 . . . . . . . . 5503 1 97 . 1 1 22 22 GLU HG2 H 1 2.33 0.01 . 1 . . . . . . . . 5503 1 98 . 1 1 22 22 GLU HG3 H 1 2.33 0.01 . 1 . . . . . . . . 5503 1 99 . 1 1 23 23 ILE H H 1 8.225 0.001 . 1 . . . . . . . . 5503 1 100 . 1 1 23 23 ILE HA H 1 3.98 0.01 . 1 . . . . . . . . 5503 1 101 . 1 1 23 23 ILE HB H 1 2.00 0.01 . 1 . . . . . . . . 5503 1 102 . 1 1 23 23 ILE HG12 H 1 1.25 0.01 . 1 . . . . . . . . 5503 1 103 . 1 1 23 23 ILE HG13 H 1 1.25 0.01 . 1 . . . . . . . . 5503 1 104 . 1 1 23 23 ILE HG21 H 1 1.00 0.01 . 1 . . . . . . . . 5503 1 105 . 1 1 23 23 ILE HG22 H 1 1.00 0.01 . 1 . . . . . . . . 5503 1 106 . 1 1 23 23 ILE HG23 H 1 1.00 0.01 . 1 . . . . . . . . 5503 1 107 . 1 1 23 23 ILE HD11 H 1 0.83 0.01 . 1 . . . . . . . . 5503 1 108 . 1 1 23 23 ILE HD12 H 1 0.83 0.01 . 1 . . . . . . . . 5503 1 109 . 1 1 23 23 ILE HD13 H 1 0.83 0.01 . 1 . . . . . . . . 5503 1 110 . 1 1 24 24 LEU H H 1 8.218 0.001 . 1 . . . . . . . . 5503 1 111 . 1 1 24 24 LEU HA H 1 4.27 0.01 . 1 . . . . . . . . 5503 1 112 . 1 1 24 24 LEU HB2 H 1 1.85 0.01 . 2 . . . . . . . . 5503 1 113 . 1 1 24 24 LEU HB3 H 1 1.65 0.01 . 2 . . . . . . . . 5503 1 114 . 1 1 24 24 LEU HG H 1 1.78 0.01 . 1 . . . . . . . . 5503 1 115 . 1 1 24 24 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 5503 1 116 . 1 1 24 24 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 5503 1 117 . 1 1 24 24 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 5503 1 118 . 1 1 24 24 LEU HD21 H 1 0.81 0.01 . 2 . . . . . . . . 5503 1 119 . 1 1 24 24 LEU HD22 H 1 0.81 0.01 . 2 . . . . . . . . 5503 1 120 . 1 1 24 24 LEU HD23 H 1 0.81 0.01 . 2 . . . . . . . . 5503 1 121 . 1 1 25 25 LYS H H 1 7.88 0.01 . 1 . . . . . . . . 5503 1 122 . 1 1 25 25 LYS HA H 1 4.29 0.01 . 1 . . . . . . . . 5503 1 123 . 1 1 25 25 LYS HB2 H 1 1.93 0.01 . 2 . . . . . . . . 5503 1 124 . 1 1 25 25 LYS HB3 H 1 1.84 0.01 . 2 . . . . . . . . 5503 1 125 . 1 1 25 25 LYS HG2 H 1 1.47 0.01 . 1 . . . . . . . . 5503 1 126 . 1 1 25 25 LYS HG3 H 1 1.47 0.01 . 1 . . . . . . . . 5503 1 127 . 1 1 26 26 ALA H H 1 7.96 0.01 . 1 . . . . . . . . 5503 1 128 . 1 1 26 26 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 5503 1 129 . 1 1 26 26 ALA HB1 H 1 1.73 0.01 . 1 . . . . . . . . 5503 1 130 . 1 1 26 26 ALA HB2 H 1 1.73 0.01 . 1 . . . . . . . . 5503 1 131 . 1 1 26 26 ALA HB3 H 1 1.73 0.01 . 1 . . . . . . . . 5503 1 132 . 1 1 27 27 PHE H H 1 7.94 0.01 . 1 . . . . . . . . 5503 1 133 . 1 1 27 27 PHE HA H 1 3.28 0.01 . 1 . . . . . . . . 5503 1 134 . 1 1 27 27 PHE HB2 H 1 3.17 0.01 . 2 . . . . . . . . 5503 1 135 . 1 1 27 27 PHE HB3 H 1 2.60 0.01 . 2 . . . . . . . . 5503 1 136 . 1 1 27 27 PHE HD1 H 1 6.48 0.01 . 1 . . . . . . . . 5503 1 137 . 1 1 27 27 PHE HD2 H 1 6.48 0.01 . 1 . . . . . . . . 5503 1 138 . 1 1 27 27 PHE HE1 H 1 6.99 0.01 . 1 . . . . . . . . 5503 1 139 . 1 1 27 27 PHE HE2 H 1 6.99 0.01 . 1 . . . . . . . . 5503 1 140 . 1 1 27 27 PHE HZ H 1 7.11 0.01 . 1 . . . . . . . . 5503 1 141 . 1 1 28 28 LYS H H 1 7.68 0.01 . 1 . . . . . . . . 5503 1 142 . 1 1 28 28 LYS HA H 1 3.94 0.01 . 1 . . . . . . . . 5503 1 143 . 1 1 28 28 LYS HB2 H 1 1.94 0.01 . 2 . . . . . . . . 5503 1 144 . 1 1 28 28 LYS HB3 H 1 1.77 0.01 . 2 . . . . . . . . 5503 1 145 . 1 1 28 28 LYS HG2 H 1 1.66 0.01 . 1 . . . . . . . . 5503 1 146 . 1 1 28 28 LYS HG3 H 1 1.66 0.01 . 1 . . . . . . . . 5503 1 147 . 1 1 29 29 LEU H H 1 7.47 0.01 . 1 . . . . . . . . 5503 1 148 . 1 1 29 29 LEU HA H 1 3.97 0.01 . 1 . . . . . . . . 5503 1 149 . 1 1 29 29 LEU HB2 H 1 1.82 0.01 . 2 . . . . . . . . 5503 1 150 . 1 1 29 29 LEU HB3 H 1 1.30 0.01 . 2 . . . . . . . . 5503 1 151 . 1 1 29 29 LEU HG H 1 1.69 0.01 . 1 . . . . . . . . 5503 1 152 . 1 1 29 29 LEU HD11 H 1 0.85 0.01 . 2 . . . . . . . . 5503 1 153 . 1 1 29 29 LEU HD12 H 1 0.85 0.01 . 2 . . . . . . . . 5503 1 154 . 1 1 29 29 LEU HD13 H 1 0.85 0.01 . 2 . . . . . . . . 5503 1 155 . 1 1 29 29 LEU HD21 H 1 0.77 0.01 . 2 . . . . . . . . 5503 1 156 . 1 1 29 29 LEU HD22 H 1 0.77 0.01 . 2 . . . . . . . . 5503 1 157 . 1 1 29 29 LEU HD23 H 1 0.77 0.01 . 2 . . . . . . . . 5503 1 158 . 1 1 30 30 PHE H H 1 7.43 0.01 . 1 . . . . . . . . 5503 1 159 . 1 1 30 30 PHE HA H 1 4.07 0.01 . 1 . . . . . . . . 5503 1 160 . 1 1 30 30 PHE HB2 H 1 2.84 0.01 . 2 . . . . . . . . 5503 1 161 . 1 1 30 30 PHE HB3 H 1 2.60 0.01 . 2 . . . . . . . . 5503 1 162 . 1 1 30 30 PHE HD1 H 1 7.19 0.01 . 1 . . . . . . . . 5503 1 163 . 1 1 30 30 PHE HD2 H 1 7.19 0.01 . 1 . . . . . . . . 5503 1 164 . 1 1 30 30 PHE HE1 H 1 7.27 0.01 . 1 . . . . . . . . 5503 1 165 . 1 1 30 30 PHE HE2 H 1 7.27 0.01 . 1 . . . . . . . . 5503 1 166 . 1 1 31 31 ASP H H 1 7.31 0.01 . 1 . . . . . . . . 5503 1 167 . 1 1 31 31 ASP HA H 1 4.56 0.01 . 1 . . . . . . . . 5503 1 168 . 1 1 31 31 ASP HB2 H 1 2.43 0.01 . 2 . . . . . . . . 5503 1 169 . 1 1 31 31 ASP HB3 H 1 1.60 0.01 . 2 . . . . . . . . 5503 1 170 . 1 1 32 32 ASP H H 1 8.68 0.01 . 1 . . . . . . . . 5503 1 171 . 1 1 32 32 ASP HA H 1 4.30 0.01 . 1 . . . . . . . . 5503 1 172 . 1 1 32 32 ASP HB2 H 1 2.68 0.01 . 2 . . . . . . . . 5503 1 173 . 1 1 32 32 ASP HB3 H 1 2.57 0.01 . 2 . . . . . . . . 5503 1 174 . 1 1 33 33 ASP H H 1 9.15 0.01 . 1 . . . . . . . . 5503 1 175 . 1 1 33 33 ASP HA H 1 4.52 0.01 . 1 . . . . . . . . 5503 1 176 . 1 1 33 33 ASP HB2 H 1 2.97 0.01 . 2 . . . . . . . . 5503 1 177 . 1 1 33 33 ASP HB3 H 1 2.66 0.01 . 2 . . . . . . . . 5503 1 178 . 1 1 34 34 GLU H H 1 7.86 0.01 . 1 . . . . . . . . 5503 1 179 . 1 1 34 34 GLU HA H 1 3.96 0.01 . 1 . . . . . . . . 5503 1 180 . 1 1 34 34 GLU HB2 H 1 2.18 0.01 . 2 . . . . . . . . 5503 1 181 . 1 1 34 34 GLU HB3 H 1 2.05 0.01 . 2 . . . . . . . . 5503 1 182 . 1 1 34 34 GLU HG2 H 1 2.45 0.01 . 1 . . . . . . . . 5503 1 183 . 1 1 34 34 GLU HG3 H 1 2.45 0.01 . 1 . . . . . . . . 5503 1 184 . 1 1 35 35 THR H H 1 9.94 0.01 . 1 . . . . . . . . 5503 1 185 . 1 1 35 35 THR HA H 1 4.48 0.01 . 1 . . . . . . . . 5503 1 186 . 1 1 35 35 THR HB H 1 4.48 0.01 . 1 . . . . . . . . 5503 1 187 . 1 1 35 35 THR HG21 H 1 1.08 0.01 . 1 . . . . . . . . 5503 1 188 . 1 1 35 35 THR HG22 H 1 1.08 0.01 . 1 . . . . . . . . 5503 1 189 . 1 1 35 35 THR HG23 H 1 1.08 0.01 . 1 . . . . . . . . 5503 1 190 . 1 1 36 36 GLY H H 1 10.95 0.01 . 1 . . . . . . . . 5503 1 191 . 1 1 36 36 GLY HA2 H 1 4.29 0.01 . 2 . . . . . . . . 5503 1 192 . 1 1 36 36 GLY HA3 H 1 3.65 0.01 . 2 . . . . . . . . 5503 1 193 . 1 1 37 37 LYS H H 1 7.70 0.01 . 1 . . . . . . . . 5503 1 194 . 1 1 37 37 LYS HA H 1 4.98 0.01 . 1 . . . . . . . . 5503 1 195 . 1 1 37 37 LYS HB2 H 1 1.54 0.01 . 1 . . . . . . . . 5503 1 196 . 1 1 37 37 LYS HB3 H 1 1.54 0.01 . 1 . . . . . . . . 5503 1 197 . 1 1 37 37 LYS HG2 H 1 1.22 0.01 . 1 . . . . . . . . 5503 1 198 . 1 1 37 37 LYS HG3 H 1 1.22 0.01 . 1 . . . . . . . . 5503 1 199 . 1 1 37 37 LYS HD2 H 1 1.43 0.01 . 1 . . . . . . . . 5503 1 200 . 1 1 37 37 LYS HD3 H 1 1.43 0.01 . 1 . . . . . . . . 5503 1 201 . 1 1 37 37 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 5503 1 202 . 1 1 37 37 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 5503 1 203 . 1 1 38 38 ILE H H 1 9.34 0.01 . 1 . . . . . . . . 5503 1 204 . 1 1 38 38 ILE HA H 1 4.38 0.01 . 1 . . . . . . . . 5503 1 205 . 1 1 38 38 ILE HB H 1 1.72 0.01 . 1 . . . . . . . . 5503 1 206 . 1 1 38 38 ILE HG12 H 1 1.20 0.01 . 2 . . . . . . . . 5503 1 207 . 1 1 38 38 ILE HG13 H 1 0.14 0.01 . 2 . . . . . . . . 5503 1 208 . 1 1 38 38 ILE HG21 H 1 0.77 0.01 . 1 . . . . . . . . 5503 1 209 . 1 1 38 38 ILE HG22 H 1 0.77 0.01 . 1 . . . . . . . . 5503 1 210 . 1 1 38 38 ILE HG23 H 1 0.77 0.01 . 1 . . . . . . . . 5503 1 211 . 1 1 38 38 ILE HD11 H 1 0.06 0.01 . 1 . . . . . . . . 5503 1 212 . 1 1 38 38 ILE HD12 H 1 0.06 0.01 . 1 . . . . . . . . 5503 1 213 . 1 1 38 38 ILE HD13 H 1 0.06 0.01 . 1 . . . . . . . . 5503 1 214 . 1 1 39 39 SER H H 1 8.64 0.01 . 1 . . . . . . . . 5503 1 215 . 1 1 39 39 SER HA H 1 4.83 0.01 . 1 . . . . . . . . 5503 1 216 . 1 1 39 39 SER HB2 H 1 4.40 0.01 . 2 . . . . . . . . 5503 1 217 . 1 1 39 39 SER HB3 H 1 3.93 0.01 . 2 . . . . . . . . 5503 1 218 . 1 1 40 40 PHE H H 1 9.56 0.01 . 1 . . . . . . . . 5503 1 219 . 1 1 40 40 PHE HA H 1 3.90 0.01 . 1 . . . . . . . . 5503 1 220 . 1 1 40 40 PHE HB2 H 1 3.25 0.01 . 2 . . . . . . . . 5503 1 221 . 1 1 40 40 PHE HB3 H 1 3.15 0.01 . 2 . . . . . . . . 5503 1 222 . 1 1 40 40 PHE HD1 H 1 7.02 0.01 . 1 . . . . . . . . 5503 1 223 . 1 1 40 40 PHE HD2 H 1 7.02 0.01 . 1 . . . . . . . . 5503 1 224 . 1 1 40 40 PHE HE1 H 1 7.44 0.01 . 1 . . . . . . . . 5503 1 225 . 1 1 40 40 PHE HE2 H 1 7.44 0.01 . 1 . . . . . . . . 5503 1 226 . 1 1 40 40 PHE HZ H 1 7.25 0.01 . 1 . . . . . . . . 5503 1 227 . 1 1 41 41 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 5503 1 228 . 1 1 41 41 LYS HA H 1 3.85 0.01 . 1 . . . . . . . . 5503 1 229 . 1 1 41 41 LYS HB2 H 1 1.97 0.01 . 2 . . . . . . . . 5503 1 230 . 1 1 41 41 LYS HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5503 1 231 . 1 1 41 41 LYS HG2 H 1 1.48 0.01 . 1 . . . . . . . . 5503 1 232 . 1 1 41 41 LYS HG3 H 1 1.48 0.01 . 1 . . . . . . . . 5503 1 233 . 1 1 41 41 LYS HD2 H 1 1.75 0.01 . 2 . . . . . . . . 5503 1 234 . 1 1 41 41 LYS HD3 H 1 1.61 0.01 . 2 . . . . . . . . 5503 1 235 . 1 1 41 41 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 5503 1 236 . 1 1 41 41 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 5503 1 237 . 1 1 42 42 ASN H H 1 7.75 0.01 . 1 . . . . . . . . 5503 1 238 . 1 1 42 42 ASN HA H 1 4.69 0.01 . 1 . . . . . . . . 5503 1 239 . 1 1 42 42 ASN HB2 H 1 3.48 0.01 . 2 . . . . . . . . 5503 1 240 . 1 1 42 42 ASN HB3 H 1 3.22 0.01 . 2 . . . . . . . . 5503 1 241 . 1 1 42 42 ASN HD21 H 1 7.87 0.01 . 2 . . . . . . . . 5503 1 242 . 1 1 42 42 ASN HD22 H 1 7.47 0.01 . 2 . . . . . . . . 5503 1 243 . 1 1 43 43 LEU H H 1 8.03 0.01 . 1 . . . . . . . . 5503 1 244 . 1 1 43 43 LEU HA H 1 4.05 0.01 . 1 . . . . . . . . 5503 1 245 . 1 1 43 43 LEU HB2 H 1 1.59 0.01 . 2 . . . . . . . . 5503 1 246 . 1 1 43 43 LEU HB3 H 1 1.39 0.01 . 2 . . . . . . . . 5503 1 247 . 1 1 43 43 LEU HG H 1 1.46 0.01 . 1 . . . . . . . . 5503 1 248 . 1 1 43 43 LEU HD11 H 1 0.66 0.01 . 1 . . . . . . . . 5503 1 249 . 1 1 43 43 LEU HD12 H 1 0.66 0.01 . 1 . . . . . . . . 5503 1 250 . 1 1 43 43 LEU HD13 H 1 0.66 0.01 . 1 . . . . . . . . 5503 1 251 . 1 1 43 43 LEU HD21 H 1 0.66 0.01 . 1 . . . . . . . . 5503 1 252 . 1 1 43 43 LEU HD22 H 1 0.66 0.01 . 1 . . . . . . . . 5503 1 253 . 1 1 43 43 LEU HD23 H 1 0.66 0.01 . 1 . . . . . . . . 5503 1 254 . 1 1 44 44 LYS H H 1 8.59 0.01 . 1 . . . . . . . . 5503 1 255 . 1 1 44 44 LYS HA H 1 3.66 0.01 . 1 . . . . . . . . 5503 1 256 . 1 1 44 44 LYS HB2 H 1 1.63 0.01 . 1 . . . . . . . . 5503 1 257 . 1 1 44 44 LYS HB3 H 1 1.63 0.01 . 1 . . . . . . . . 5503 1 258 . 1 1 44 44 LYS HG2 H 1 1.25 0.01 . 2 . . . . . . . . 5503 1 259 . 1 1 44 44 LYS HG3 H 1 1.13 0.01 . 2 . . . . . . . . 5503 1 260 . 1 1 44 44 LYS HD2 H 1 1.63 0.01 . 2 . . . . . . . . 5503 1 261 . 1 1 44 44 LYS HD3 H 1 1.59 0.01 . 2 . . . . . . . . 5503 1 262 . 1 1 44 44 LYS HE2 H 1 2.98 0.01 . 1 . . . . . . . . 5503 1 263 . 1 1 44 44 LYS HE3 H 1 2.98 0.01 . 1 . . . . . . . . 5503 1 264 . 1 1 45 45 ARG H H 1 7.56 0.01 . 1 . . . . . . . . 5503 1 265 . 1 1 45 45 ARG HA H 1 4.03 0.01 . 1 . . . . . . . . 5503 1 266 . 1 1 45 45 ARG HB2 H 1 2.23 0.01 . 1 . . . . . . . . 5503 1 267 . 1 1 45 45 ARG HB3 H 1 2.23 0.01 . 1 . . . . . . . . 5503 1 268 . 1 1 45 45 ARG HG2 H 1 1.75 0.01 . 1 . . . . . . . . 5503 1 269 . 1 1 45 45 ARG HG3 H 1 1.75 0.01 . 1 . . . . . . . . 5503 1 270 . 1 1 46 46 VAL H H 1 7.83 0.01 . 1 . . . . . . . . 5503 1 271 . 1 1 46 46 VAL HA H 1 3.51 0.01 . 1 . . . . . . . . 5503 1 272 . 1 1 46 46 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 5503 1 273 . 1 1 46 46 VAL HG11 H 1 0.85 0.01 . 2 . . . . . . . . 5503 1 274 . 1 1 46 46 VAL HG12 H 1 0.85 0.01 . 2 . . . . . . . . 5503 1 275 . 1 1 46 46 VAL HG13 H 1 0.85 0.01 . 2 . . . . . . . . 5503 1 276 . 1 1 46 46 VAL HG21 H 1 0.70 0.01 . 2 . . . . . . . . 5503 1 277 . 1 1 46 46 VAL HG22 H 1 0.70 0.01 . 2 . . . . . . . . 5503 1 278 . 1 1 46 46 VAL HG23 H 1 0.70 0.01 . 2 . . . . . . . . 5503 1 279 . 1 1 47 47 ALA H H 1 8.71 0.01 . 1 . . . . . . . . 5503 1 280 . 1 1 47 47 ALA HA H 1 4.00 0.01 . 1 . . . . . . . . 5503 1 281 . 1 1 47 47 ALA HB1 H 1 1.57 0.01 . 1 . . . . . . . . 5503 1 282 . 1 1 47 47 ALA HB2 H 1 1.57 0.01 . 1 . . . . . . . . 5503 1 283 . 1 1 47 47 ALA HB3 H 1 1.57 0.01 . 1 . . . . . . . . 5503 1 284 . 1 1 48 48 LYS H H 1 7.86 0.01 . 1 . . . . . . . . 5503 1 285 . 1 1 48 48 LYS HA H 1 4.24 0.01 . 1 . . . . . . . . 5503 1 286 . 1 1 49 49 GLU H H 1 8.30 0.01 . 1 . . . . . . . . 5503 1 287 . 1 1 49 49 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 5503 1 288 . 1 1 49 49 GLU HB2 H 1 2.24 0.01 . 2 . . . . . . . . 5503 1 289 . 1 1 49 49 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 5503 1 290 . 1 1 49 49 GLU HG2 H 1 2.49 0.01 . 1 . . . . . . . . 5503 1 291 . 1 1 49 49 GLU HG3 H 1 2.49 0.01 . 1 . . . . . . . . 5503 1 292 . 1 1 50 50 LEU H H 1 8.14 0.01 . 1 . . . . . . . . 5503 1 293 . 1 1 50 50 LEU HA H 1 4.26 0.01 . 1 . . . . . . . . 5503 1 294 . 1 1 50 50 LEU HB2 H 1 1.79 0.01 . 2 . . . . . . . . 5503 1 295 . 1 1 50 50 LEU HB3 H 1 1.65 0.01 . 2 . . . . . . . . 5503 1 296 . 1 1 50 50 LEU HG H 1 1.89 0.01 . 1 . . . . . . . . 5503 1 297 . 1 1 50 50 LEU HD11 H 1 0.76 0.01 . 2 . . . . . . . . 5503 1 298 . 1 1 50 50 LEU HD12 H 1 0.76 0.01 . 2 . . . . . . . . 5503 1 299 . 1 1 50 50 LEU HD13 H 1 0.76 0.01 . 2 . . . . . . . . 5503 1 300 . 1 1 50 50 LEU HD21 H 1 0.63 0.01 . 2 . . . . . . . . 5503 1 301 . 1 1 50 50 LEU HD22 H 1 0.63 0.01 . 2 . . . . . . . . 5503 1 302 . 1 1 50 50 LEU HD23 H 1 0.63 0.01 . 2 . . . . . . . . 5503 1 303 . 1 1 51 51 GLY H H 1 7.87 0.01 . 1 . . . . . . . . 5503 1 304 . 1 1 51 51 GLY HA2 H 1 4.07 0.01 . 2 . . . . . . . . 5503 1 305 . 1 1 51 51 GLY HA3 H 1 3.82 0.01 . 2 . . . . . . . . 5503 1 306 . 1 1 52 52 GLU H H 1 7.94 0.01 . 1 . . . . . . . . 5503 1 307 . 1 1 52 52 GLU HA H 1 4.38 0.01 . 1 . . . . . . . . 5503 1 308 . 1 1 52 52 GLU HB2 H 1 1.83 0.01 . 1 . . . . . . . . 5503 1 309 . 1 1 52 52 GLU HB3 H 1 1.83 0.01 . 1 . . . . . . . . 5503 1 310 . 1 1 52 52 GLU HG2 H 1 2.12 0.01 . 1 . . . . . . . . 5503 1 311 . 1 1 52 52 GLU HG3 H 1 2.12 0.01 . 1 . . . . . . . . 5503 1 312 . 1 1 53 53 ASN H H 1 8.94 0.01 . 1 . . . . . . . . 5503 1 313 . 1 1 53 53 ASN HA H 1 4.81 0.01 . 1 . . . . . . . . 5503 1 314 . 1 1 53 53 ASN HB2 H 1 2.86 0.01 . 2 . . . . . . . . 5503 1 315 . 1 1 53 53 ASN HB3 H 1 2.68 0.01 . 2 . . . . . . . . 5503 1 316 . 1 1 53 53 ASN HD21 H 1 7.56 0.01 . 2 . . . . . . . . 5503 1 317 . 1 1 53 53 ASN HD22 H 1 6.80 0.01 . 2 . . . . . . . . 5503 1 318 . 1 1 54 54 LEU H H 1 8.08 0.01 . 1 . . . . . . . . 5503 1 319 . 1 1 54 54 LEU HA H 1 4.73 0.01 . 1 . . . . . . . . 5503 1 320 . 1 1 54 54 LEU HB2 H 1 1.43 0.01 . 1 . . . . . . . . 5503 1 321 . 1 1 54 54 LEU HB3 H 1 1.43 0.01 . 1 . . . . . . . . 5503 1 322 . 1 1 54 54 LEU HG H 1 1.53 0.01 . 1 . . . . . . . . 5503 1 323 . 1 1 54 54 LEU HD11 H 1 0.87 0.01 . 2 . . . . . . . . 5503 1 324 . 1 1 54 54 LEU HD12 H 1 0.87 0.01 . 2 . . . . . . . . 5503 1 325 . 1 1 54 54 LEU HD13 H 1 0.87 0.01 . 2 . . . . . . . . 5503 1 326 . 1 1 54 54 LEU HD21 H 1 0.81 0.01 . 2 . . . . . . . . 5503 1 327 . 1 1 54 54 LEU HD22 H 1 0.81 0.01 . 2 . . . . . . . . 5503 1 328 . 1 1 54 54 LEU HD23 H 1 0.81 0.01 . 2 . . . . . . . . 5503 1 329 . 1 1 55 55 THR H H 1 9.34 0.01 . 1 . . . . . . . . 5503 1 330 . 1 1 55 55 THR HA H 1 4.42 0.01 . 1 . . . . . . . . 5503 1 331 . 1 1 55 55 THR HB H 1 4.82 0.01 . 1 . . . . . . . . 5503 1 332 . 1 1 55 55 THR HG21 H 1 1.40 0.01 . 1 . . . . . . . . 5503 1 333 . 1 1 55 55 THR HG22 H 1 1.40 0.01 . 1 . . . . . . . . 5503 1 334 . 1 1 55 55 THR HG23 H 1 1.40 0.01 . 1 . . . . . . . . 5503 1 335 . 1 1 56 56 ASP H H 1 9.07 0.01 . 1 . . . . . . . . 5503 1 336 . 1 1 56 56 ASP HA H 1 4.55 0.01 . 1 . . . . . . . . 5503 1 337 . 1 1 56 56 ASP HB2 H 1 2.82 0.01 . 2 . . . . . . . . 5503 1 338 . 1 1 56 56 ASP HB3 H 1 2.73 0.01 . 2 . . . . . . . . 5503 1 339 . 1 1 57 57 GLU H H 1 8.75 0.01 . 1 . . . . . . . . 5503 1 340 . 1 1 57 57 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 5503 1 341 . 1 1 57 57 GLU HB2 H 1 2.09 0.01 . 2 . . . . . . . . 5503 1 342 . 1 1 57 57 GLU HB3 H 1 1.97 0.01 . 2 . . . . . . . . 5503 1 343 . 1 1 57 57 GLU HG2 H 1 2.44 0.01 . 2 . . . . . . . . 5503 1 344 . 1 1 57 57 GLU HG3 H 1 2.29 0.01 . 2 . . . . . . . . 5503 1 345 . 1 1 58 58 GLU H H 1 7.82 0.01 . 1 . . . . . . . . 5503 1 346 . 1 1 58 58 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 5503 1 347 . 1 1 58 58 GLU HB2 H 1 2.07 0.01 . 1 . . . . . . . . 5503 1 348 . 1 1 58 58 GLU HB3 H 1 2.07 0.01 . 1 . . . . . . . . 5503 1 349 . 1 1 58 58 GLU HG2 H 1 2.39 0.01 . 2 . . . . . . . . 5503 1 350 . 1 1 58 58 GLU HG3 H 1 2.27 0.01 . 2 . . . . . . . . 5503 1 351 . 1 1 59 59 LEU H H 1 8.09 0.01 . 1 . . . . . . . . 5503 1 352 . 1 1 59 59 LEU HA H 1 3.99 0.01 . 1 . . . . . . . . 5503 1 353 . 1 1 59 59 LEU HB2 H 1 2.19 0.01 . 2 . . . . . . . . 5503 1 354 . 1 1 59 59 LEU HB3 H 1 1.01 0.01 . 2 . . . . . . . . 5503 1 355 . 1 1 59 59 LEU HG H 1 1.72 0.01 . 1 . . . . . . . . 5503 1 356 . 1 1 59 59 LEU HD11 H 1 0.61 0.01 . 2 . . . . . . . . 5503 1 357 . 1 1 59 59 LEU HD12 H 1 0.61 0.01 . 2 . . . . . . . . 5503 1 358 . 1 1 59 59 LEU HD13 H 1 0.61 0.01 . 2 . . . . . . . . 5503 1 359 . 1 1 59 59 LEU HD21 H 1 0.51 0.01 . 2 . . . . . . . . 5503 1 360 . 1 1 59 59 LEU HD22 H 1 0.51 0.01 . 2 . . . . . . . . 5503 1 361 . 1 1 59 59 LEU HD23 H 1 0.51 0.01 . 2 . . . . . . . . 5503 1 362 . 1 1 60 60 GLN H H 1 8.49 0.01 . 1 . . . . . . . . 5503 1 363 . 1 1 60 60 GLN HA H 1 3.94 0.01 . 1 . . . . . . . . 5503 1 364 . 1 1 60 60 GLN HB2 H 1 2.16 0.01 . 1 . . . . . . . . 5503 1 365 . 1 1 60 60 GLN HB3 H 1 2.16 0.01 . 1 . . . . . . . . 5503 1 366 . 1 1 60 60 GLN HG2 H 1 2.42 0.01 . 2 . . . . . . . . 5503 1 367 . 1 1 60 60 GLN HG3 H 1 2.31 0.01 . 2 . . . . . . . . 5503 1 368 . 1 1 60 60 GLN HE21 H 1 7.63 0.01 . 2 . . . . . . . . 5503 1 369 . 1 1 60 60 GLN HE22 H 1 6.63 0.01 . 2 . . . . . . . . 5503 1 370 . 1 1 61 61 GLU H H 1 8.01 0.01 . 1 . . . . . . . . 5503 1 371 . 1 1 61 61 GLU HA H 1 4.10 0.01 . 1 . . . . . . . . 5503 1 372 . 1 1 61 61 GLU HB2 H 1 2.19 0.01 . 2 . . . . . . . . 5503 1 373 . 1 1 61 61 GLU HB3 H 1 2.12 0.01 . 2 . . . . . . . . 5503 1 374 . 1 1 61 61 GLU HG2 H 1 2.51 0.01 . 2 . . . . . . . . 5503 1 375 . 1 1 61 61 GLU HG3 H 1 2.35 0.01 . 2 . . . . . . . . 5503 1 376 . 1 1 62 62 MET H H 1 7.38 0.01 . 1 . . . . . . . . 5503 1 377 . 1 1 62 62 MET HA H 1 4.22 0.01 . 1 . . . . . . . . 5503 1 378 . 1 1 62 62 MET HB2 H 1 2.18 0.01 . 2 . . . . . . . . 5503 1 379 . 1 1 62 62 MET HB3 H 1 2.05 0.01 . 2 . . . . . . . . 5503 1 380 . 1 1 62 62 MET HG2 H 1 2.69 0.01 . 1 . . . . . . . . 5503 1 381 . 1 1 62 62 MET HG3 H 1 2.69 0.01 . 1 . . . . . . . . 5503 1 382 . 1 1 63 63 ILE H H 1 7.23 0.01 . 1 . . . . . . . . 5503 1 383 . 1 1 63 63 ILE HA H 1 3.40 0.01 . 1 . . . . . . . . 5503 1 384 . 1 1 63 63 ILE HB H 1 2.16 0.01 . 1 . . . . . . . . 5503 1 385 . 1 1 63 63 ILE HG12 H 1 1.55 0.01 . 2 . . . . . . . . 5503 1 386 . 1 1 63 63 ILE HG13 H 1 1.16 0.01 . 2 . . . . . . . . 5503 1 387 . 1 1 63 63 ILE HG21 H 1 0.79 0.01 . 1 . . . . . . . . 5503 1 388 . 1 1 63 63 ILE HG22 H 1 0.79 0.01 . 1 . . . . . . . . 5503 1 389 . 1 1 63 63 ILE HG23 H 1 0.79 0.01 . 1 . . . . . . . . 5503 1 390 . 1 1 63 63 ILE HD11 H 1 0.78 0.01 . 1 . . . . . . . . 5503 1 391 . 1 1 63 63 ILE HD12 H 1 0.78 0.01 . 1 . . . . . . . . 5503 1 392 . 1 1 63 63 ILE HD13 H 1 0.78 0.01 . 1 . . . . . . . . 5503 1 393 . 1 1 64 64 ASP H H 1 8.64 0.01 . 1 . . . . . . . . 5503 1 394 . 1 1 64 64 ASP HA H 1 4.33 0.01 . 1 . . . . . . . . 5503 1 395 . 1 1 64 64 ASP HB2 H 1 2.75 0.01 . 2 . . . . . . . . 5503 1 396 . 1 1 64 64 ASP HB3 H 1 2.69 0.01 . 2 . . . . . . . . 5503 1 397 . 1 1 65 65 GLU H H 1 7.86 0.01 . 1 . . . . . . . . 5503 1 398 . 1 1 65 65 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . 5503 1 399 . 1 1 65 65 GLU HB2 H 1 2.17 0.01 . 1 . . . . . . . . 5503 1 400 . 1 1 65 65 GLU HB3 H 1 2.17 0.01 . 1 . . . . . . . . 5503 1 401 . 1 1 65 65 GLU HG2 H 1 2.66 0.01 . 2 . . . . . . . . 5503 1 402 . 1 1 65 65 GLU HG3 H 1 2.49 0.01 . 2 . . . . . . . . 5503 1 403 . 1 1 66 66 ALA H H 1 7.32 0.01 . 1 . . . . . . . . 5503 1 404 . 1 1 66 66 ALA HA H 1 4.42 0.01 . 1 . . . . . . . . 5503 1 405 . 1 1 66 66 ALA HB1 H 1 1.40 0.01 . 1 . . . . . . . . 5503 1 406 . 1 1 66 66 ALA HB2 H 1 1.40 0.01 . 1 . . . . . . . . 5503 1 407 . 1 1 66 66 ALA HB3 H 1 1.40 0.01 . 1 . . . . . . . . 5503 1 408 . 1 1 67 67 ASP H H 1 8.28 0.01 . 1 . . . . . . . . 5503 1 409 . 1 1 67 67 ASP HA H 1 4.53 0.01 . 1 . . . . . . . . 5503 1 410 . 1 1 67 67 ASP HB2 H 1 2.86 0.01 . 2 . . . . . . . . 5503 1 411 . 1 1 67 67 ASP HB3 H 1 2.48 0.01 . 2 . . . . . . . . 5503 1 412 . 1 1 68 68 ARG H H 1 8.45 0.01 . 1 . . . . . . . . 5503 1 413 . 1 1 68 68 ARG HA H 1 4.44 0.01 . 1 . . . . . . . . 5503 1 414 . 1 1 68 68 ARG HB2 H 1 2.07 0.01 . 2 . . . . . . . . 5503 1 415 . 1 1 68 68 ARG HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5503 1 416 . 1 1 68 68 ARG HG2 H 1 1.77 0.01 . 1 . . . . . . . . 5503 1 417 . 1 1 68 68 ARG HG3 H 1 1.77 0.01 . 1 . . . . . . . . 5503 1 418 . 1 1 68 68 ARG HD2 H 1 3.25 0.01 . 1 . . . . . . . . 5503 1 419 . 1 1 68 68 ARG HD3 H 1 3.25 0.01 . 1 . . . . . . . . 5503 1 420 . 1 1 69 69 ASP H H 1 8.28 0.01 . 1 . . . . . . . . 5503 1 421 . 1 1 69 69 ASP HA H 1 4.69 0.01 . 1 . . . . . . . . 5503 1 422 . 1 1 69 69 ASP HB2 H 1 3.12 0.01 . 2 . . . . . . . . 5503 1 423 . 1 1 69 69 ASP HB3 H 1 2.61 0.01 . 2 . . . . . . . . 5503 1 424 . 1 1 70 70 GLY H H 1 7.71 0.01 . 1 . . . . . . . . 5503 1 425 . 1 1 70 70 GLY HA2 H 1 3.99 0.01 . 2 . . . . . . . . 5503 1 426 . 1 1 70 70 GLY HA3 H 1 3.87 0.01 . 2 . . . . . . . . 5503 1 427 . 1 1 71 71 ASP H H 1 8.28 0.01 . 1 . . . . . . . . 5503 1 428 . 1 1 71 71 ASP HA H 1 4.57 0.01 . 1 . . . . . . . . 5503 1 429 . 1 1 71 71 ASP HB2 H 1 3.11 0.01 . 2 . . . . . . . . 5503 1 430 . 1 1 71 71 ASP HB3 H 1 2.58 0.01 . 2 . . . . . . . . 5503 1 431 . 1 1 72 72 GLY H H 1 9.90 0.01 . 1 . . . . . . . . 5503 1 432 . 1 1 72 72 GLY HA2 H 1 4.12 0.01 . 2 . . . . . . . . 5503 1 433 . 1 1 72 72 GLY HA3 H 1 3.56 0.01 . 2 . . . . . . . . 5503 1 434 . 1 1 73 73 GLU H H 1 7.87 0.01 . 1 . . . . . . . . 5503 1 435 . 1 1 73 73 GLU HA H 1 4.87 0.01 . 1 . . . . . . . . 5503 1 436 . 1 1 73 73 GLU HB2 H 1 1.87 0.01 . 2 . . . . . . . . 5503 1 437 . 1 1 73 73 GLU HB3 H 1 1.52 0.01 . 2 . . . . . . . . 5503 1 438 . 1 1 73 73 GLU HG2 H 1 2.08 0.01 . 1 . . . . . . . . 5503 1 439 . 1 1 73 73 GLU HG3 H 1 2.08 0.01 . 1 . . . . . . . . 5503 1 440 . 1 1 74 74 VAL H H 1 9.37 0.01 . 1 . . . . . . . . 5503 1 441 . 1 1 74 74 VAL HA H 1 5.02 0.01 . 1 . . . . . . . . 5503 1 442 . 1 1 74 74 VAL HB H 1 2.29 0.01 . 1 . . . . . . . . 5503 1 443 . 1 1 74 74 VAL HG11 H 1 1.11 0.01 . 2 . . . . . . . . 5503 1 444 . 1 1 74 74 VAL HG12 H 1 1.11 0.01 . 2 . . . . . . . . 5503 1 445 . 1 1 74 74 VAL HG13 H 1 1.11 0.01 . 2 . . . . . . . . 5503 1 446 . 1 1 74 74 VAL HG21 H 1 0.94 0.01 . 2 . . . . . . . . 5503 1 447 . 1 1 74 74 VAL HG22 H 1 0.94 0.01 . 2 . . . . . . . . 5503 1 448 . 1 1 74 74 VAL HG23 H 1 0.94 0.01 . 2 . . . . . . . . 5503 1 449 . 1 1 75 75 SER H H 1 9.90 0.01 . 1 . . . . . . . . 5503 1 450 . 1 1 75 75 SER HA H 1 4.87 0.01 . 1 . . . . . . . . 5503 1 451 . 1 1 75 75 SER HB2 H 1 4.52 0.01 . 2 . . . . . . . . 5503 1 452 . 1 1 75 75 SER HB3 H 1 4.32 0.01 . 2 . . . . . . . . 5503 1 453 . 1 1 76 76 GLU H H 1 8.64 0.01 . 1 . . . . . . . . 5503 1 454 . 1 1 76 76 GLU HA H 1 3.15 0.01 . 1 . . . . . . . . 5503 1 455 . 1 1 76 76 GLU HB2 H 1 1.63 0.01 . 2 . . . . . . . . 5503 1 456 . 1 1 76 76 GLU HB3 H 1 1.48 0.01 . 2 . . . . . . . . 5503 1 457 . 1 1 76 76 GLU HG2 H 1 1.36 0.01 . 1 . . . . . . . . 5503 1 458 . 1 1 76 76 GLU HG3 H 1 1.36 0.01 . 1 . . . . . . . . 5503 1 459 . 1 1 77 77 GLN H H 1 8.33 0.01 . 1 . . . . . . . . 5503 1 460 . 1 1 77 77 GLN HA H 1 3.99 0.01 . 1 . . . . . . . . 5503 1 461 . 1 1 77 77 GLN HB2 H 1 2.06 0.01 . 1 . . . . . . . . 5503 1 462 . 1 1 77 77 GLN HB3 H 1 2.06 0.01 . 1 . . . . . . . . 5503 1 463 . 1 1 77 77 GLN HG2 H 1 2.46 0.01 . 1 . . . . . . . . 5503 1 464 . 1 1 77 77 GLN HG3 H 1 2.46 0.01 . 1 . . . . . . . . 5503 1 465 . 1 1 77 77 GLN HE21 H 1 7.55 0.01 . 2 . . . . . . . . 5503 1 466 . 1 1 77 77 GLN HE22 H 1 6.85 0.01 . 2 . . . . . . . . 5503 1 467 . 1 1 78 78 GLU H H 1 7.81 0.01 . 1 . . . . . . . . 5503 1 468 . 1 1 78 78 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 5503 1 469 . 1 1 78 78 GLU HB2 H 1 2.60 0.01 . 2 . . . . . . . . 5503 1 470 . 1 1 78 78 GLU HB3 H 1 2.07 0.01 . 2 . . . . . . . . 5503 1 471 . 1 1 78 78 GLU HG2 H 1 2.44 0.01 . 2 . . . . . . . . 5503 1 472 . 1 1 78 78 GLU HG3 H 1 2.26 0.01 . 2 . . . . . . . . 5503 1 473 . 1 1 79 79 PHE H H 1 8.94 0.01 . 1 . . . . . . . . 5503 1 474 . 1 1 79 79 PHE HA H 1 3.94 0.01 . 1 . . . . . . . . 5503 1 475 . 1 1 79 79 PHE HB2 H 1 3.37 0.01 . 2 . . . . . . . . 5503 1 476 . 1 1 79 79 PHE HB3 H 1 3.13 0.01 . 2 . . . . . . . . 5503 1 477 . 1 1 79 79 PHE HD1 H 1 6.84 0.01 . 1 . . . . . . . . 5503 1 478 . 1 1 79 79 PHE HD2 H 1 6.84 0.01 . 1 . . . . . . . . 5503 1 479 . 1 1 79 79 PHE HE1 H 1 7.15 0.01 . 1 . . . . . . . . 5503 1 480 . 1 1 79 79 PHE HE2 H 1 7.15 0.01 . 1 . . . . . . . . 5503 1 481 . 1 1 79 79 PHE HZ H 1 7.21 0.01 . 1 . . . . . . . . 5503 1 482 . 1 1 80 80 LEU H H 1 8.51 0.01 . 1 . . . . . . . . 5503 1 483 . 1 1 80 80 LEU HA H 1 3.78 0.01 . 1 . . . . . . . . 5503 1 484 . 1 1 80 80 LEU HB2 H 1 1.85 0.01 . 2 . . . . . . . . 5503 1 485 . 1 1 80 80 LEU HB3 H 1 1.54 0.01 . 2 . . . . . . . . 5503 1 486 . 1 1 80 80 LEU HG H 1 1.85 0.01 . 1 . . . . . . . . 5503 1 487 . 1 1 80 80 LEU HD11 H 1 0.90 0.01 . 1 . . . . . . . . 5503 1 488 . 1 1 80 80 LEU HD12 H 1 0.90 0.01 . 1 . . . . . . . . 5503 1 489 . 1 1 80 80 LEU HD13 H 1 0.90 0.01 . 1 . . . . . . . . 5503 1 490 . 1 1 80 80 LEU HD21 H 1 0.90 0.01 . 1 . . . . . . . . 5503 1 491 . 1 1 80 80 LEU HD22 H 1 0.90 0.01 . 1 . . . . . . . . 5503 1 492 . 1 1 80 80 LEU HD23 H 1 0.90 0.01 . 1 . . . . . . . . 5503 1 493 . 1 1 81 81 ARG H H 1 7.57 0.01 . 1 . . . . . . . . 5503 1 494 . 1 1 81 81 ARG HA H 1 4.42 0.01 . 1 . . . . . . . . 5503 1 495 . 1 1 81 81 ARG HB2 H 1 1.92 0.01 . 1 . . . . . . . . 5503 1 496 . 1 1 81 81 ARG HB3 H 1 1.92 0.01 . 1 . . . . . . . . 5503 1 497 . 1 1 81 81 ARG HG2 H 1 1.78 0.01 . 2 . . . . . . . . 5503 1 498 . 1 1 81 81 ARG HG3 H 1 1.60 0.01 . 2 . . . . . . . . 5503 1 499 . 1 1 82 82 ILE H H 1 7.40 0.01 . 1 . . . . . . . . 5503 1 500 . 1 1 82 82 ILE HA H 1 4.09 0.01 . 1 . . . . . . . . 5503 1 501 . 1 1 82 82 ILE HB H 1 1.90 0.01 . 1 . . . . . . . . 5503 1 502 . 1 1 82 82 ILE HG12 H 1 1.50 0.01 . 2 . . . . . . . . 5503 1 503 . 1 1 82 82 ILE HG13 H 1 1.43 0.01 . 2 . . . . . . . . 5503 1 504 . 1 1 82 82 ILE HG21 H 1 0.81 0.01 . 1 . . . . . . . . 5503 1 505 . 1 1 82 82 ILE HG22 H 1 0.81 0.01 . 1 . . . . . . . . 5503 1 506 . 1 1 82 82 ILE HG23 H 1 0.81 0.01 . 1 . . . . . . . . 5503 1 507 . 1 1 82 82 ILE HD11 H 1 0.81 0.01 . 1 . . . . . . . . 5503 1 508 . 1 1 82 82 ILE HD12 H 1 0.81 0.01 . 1 . . . . . . . . 5503 1 509 . 1 1 82 82 ILE HD13 H 1 0.81 0.01 . 1 . . . . . . . . 5503 1 510 . 1 1 83 83 MET H H 1 7.64 0.01 . 1 . . . . . . . . 5503 1 511 . 1 1 83 83 MET HA H 1 4.25 0.01 . 1 . . . . . . . . 5503 1 512 . 1 1 83 83 MET HB2 H 1 2.11 0.01 . 1 . . . . . . . . 5503 1 513 . 1 1 83 83 MET HB3 H 1 2.11 0.01 . 1 . . . . . . . . 5503 1 514 . 1 1 83 83 MET HG2 H 1 1.89 0.01 . 2 . . . . . . . . 5503 1 515 . 1 1 83 83 MET HG3 H 1 1.04 0.01 . 2 . . . . . . . . 5503 1 516 . 1 1 86 86 THR H H 1 7.92 0.01 . 1 . . . . . . . . 5503 1 517 . 1 1 86 86 THR HA H 1 4.39 0.01 . 1 . . . . . . . . 5503 1 518 . 1 1 86 86 THR HB H 1 4.27 0.01 . 1 . . . . . . . . 5503 1 519 . 1 1 86 86 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 5503 1 520 . 1 1 86 86 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 5503 1 521 . 1 1 86 86 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 5503 1 522 . 1 1 88 88 LEU H H 1 7.83 0.01 . 1 . . . . . . . . 5503 1 523 . 1 1 88 88 LEU HA H 1 4.19 0.01 . 1 . . . . . . . . 5503 1 524 . 1 1 88 88 LEU HB2 H 1 1.61 0.01 . 1 . . . . . . . . 5503 1 525 . 1 1 88 88 LEU HB3 H 1 1.61 0.01 . 1 . . . . . . . . 5503 1 526 . 1 1 88 88 LEU HG H 1 1.61 0.01 . 1 . . . . . . . . 5503 1 527 . 1 1 88 88 LEU HD11 H 1 0.91 0.01 . 2 . . . . . . . . 5503 1 528 . 1 1 88 88 LEU HD12 H 1 0.91 0.01 . 2 . . . . . . . . 5503 1 529 . 1 1 88 88 LEU HD13 H 1 0.91 0.01 . 2 . . . . . . . . 5503 1 530 . 1 1 88 88 LEU HD21 H 1 0.87 0.01 . 2 . . . . . . . . 5503 1 531 . 1 1 88 88 LEU HD22 H 1 0.87 0.01 . 2 . . . . . . . . 5503 1 532 . 1 1 88 88 LEU HD23 H 1 0.87 0.01 . 2 . . . . . . . . 5503 1 533 . 1 1 89 89 TYR H H 1 7.43 0.01 . 1 . . . . . . . . 5503 1 534 . 1 1 89 89 TYR HA H 1 4.36 0.01 . 1 . . . . . . . . 5503 1 535 . 1 1 89 89 TYR HB2 H 1 3.04 0.01 . 2 . . . . . . . . 5503 1 536 . 1 1 89 89 TYR HB3 H 1 2.83 0.01 . 2 . . . . . . . . 5503 1 537 . 1 1 89 89 TYR HD1 H 1 7.06 0.01 . 1 . . . . . . . . 5503 1 538 . 1 1 89 89 TYR HD2 H 1 7.06 0.01 . 1 . . . . . . . . 5503 1 539 . 1 1 89 89 TYR HE1 H 1 6.78 0.01 . 1 . . . . . . . . 5503 1 540 . 1 1 89 89 TYR HE2 H 1 6.78 0.01 . 1 . . . . . . . . 5503 1 stop_ save_