data_4593 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4593 _Entry.Title ; Rous sarcoma virus capsid protein: C-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-05-05 _Entry.Accession_date 2000-09-07 _Entry.Last_release_date 2001-03-02 _Entry.Original_release_date 2001-03-02 _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 Richard Kingston . L. . 4593 2 Tanja Fitzon-Ostendorp . . . 4593 3 Elan Eisenmesser . Z. . 4593 4 Gisela Schatz . W. . 4593 5 Volker Vogt . M. . 4593 6 Carol Post . B. . 4593 7 Michael Rossmann . G. . 4593 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4593 coupling_constants 1 4593 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 554 4593 '13C chemical shifts' 252 4593 '15N chemical shifts' 80 4593 'coupling constants' 122 4593 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 . . 2001-03-02 2000-05-05 original author . 4593 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4593 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20335023 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structure and Self-association of the Rous Sarcoma Virus Capsid Protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Structure Fold Des.' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue . _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 617 _Citation.Page_last 628 _Citation.Year 2000 _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 Richard Kingston . L. . 4593 1 2 Tanja Fitzon-Ostendorp . . . 4593 1 3 Elan Eisenmesser . Z. . 4593 1 4 Gisela Schatz . W. . 4593 1 5 Volker Vogt . M. . 4593 1 6 Carol Post . B. . 4593 1 7 Michael Rossmann . G. . 4593 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Virus/viral protein' 4593 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RSV_CA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RSV_CA _Assembly.Entry_ID 4593 _Assembly.ID 1 _Assembly.Name 'Rous sarcoma virus capsid protein: C-terminal domain' _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 'all free' _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 4593 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 'RSV CA' 1 $RSV_CA . . . native . . . . . 4593 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 1EOQ . 'Rous Sarcoma Virus Capsid Protein:C-Terminal Domain' . . . . 4593 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Rous sarcoma virus capsid protein: C-terminal domain' system 4593 1 'CA RSV' abbreviation 4593 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RSV_CA _Entity.Sf_category entity _Entity.Sf_framecode RSV_CA _Entity.Entry_ID 4593 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RSV_CA _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 ; MDIMQGPSESFVDFANRLIK AVEGSDLPPSARAPVIIDCF RQKSQPDIQQLIRTAPSTLT TPGEIIKYVLDRQKTAPLTD QGIAAAMSSAIQPLIM ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _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 2015-11-17 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1EOQ . "Rous Sarcoma Virus Capsid Protein: C-Terminal Domain" . . . . . 100.00 96 100.00 100.00 9.92e-61 . . . . 4593 1 2 no PDB 2X8Q . "Cryo-Em 3d Model Of The Icosahedral Particle Composed Of Rous Sarcoma Virus Capsid Protein Pentamers" . . . . . 75.00 226 100.00 100.00 2.23e-42 . . . . 4593 1 3 no PDB 3G0V . "Crystal Structure Of The C-Terminal Domain From The Rous Sarcoma Virus Capsid Protein: Mutant D179a" . . . . . 75.00 77 98.61 98.61 3.39e-42 . . . . 4593 1 4 no PDB 3G1G . "Crystal Structure Of The C-Terminal Domain From The Rous Sarcoma Virus Capsid Protein: High Ph" . . . . . 86.46 87 100.00 100.00 2.47e-51 . . . . 4593 1 5 no PDB 3G1I . "Crystal Structure Of The C-Terminal Domain Of The Rous Sarcoma Virus Capsid Protein: Intermediate Ph" . . . . . 75.00 77 100.00 100.00 3.27e-43 . . . . 4593 1 6 no PDB 3G21 . "Crystal Structure Of The C-Terminal Domain Of The Rous Sarcoma Virus Capsid Protein: Low Ph" . . . . . 75.00 77 100.00 100.00 3.27e-43 . . . . 4593 1 7 no PDB 3G26 . "Crystal Structure Of The C-terminal Domain Of The Rous Sarcoma Virus Capsid Protein: Mutant A184c" . . . . . 75.00 77 98.61 98.61 1.47e-42 . . . . 4593 1 8 no PDB 3G28 . "Crystal Structure Of The C-Terminal Domain Of The Rous Sarcoma Virus Capsid Protein: Mutant D179n, Low Ph" . . . . . 75.00 77 98.61 100.00 1.06e-42 . . . . 4593 1 9 no PDB 3G29 . "Crystal Structure Of The C-Terminal Domain Of The Rous Sarcoma Virus Capsid Protein: D179n Mutant, Neutral Ph" . . . . . 75.00 77 98.61 100.00 1.06e-42 . . . . 4593 1 10 no PDB 3TIR . "Pseudo-Atomic Model Of The Rous Sarcoma Virus Capsid Hexamer" . . . . . 75.00 226 100.00 100.00 2.23e-42 . . . . 4593 1 11 no PDB 5A9E . "Cryo-electron Tomography And Subtomogram Averaging Of Rous- Sarcoma-virus Deltambd Virus-like Particles" . . . . . 98.96 495 100.00 100.00 3.42e-56 . . . . 4593 1 12 no EMBL CAA24512 . "polyprotein gag [Rous sarcoma virus]" . . . . . 98.96 701 100.00 100.00 3.60e-55 . . . . 4593 1 13 no EMBL CAA36153 . "unnamed protein product [Rous sarcoma virus]" . . . . . 98.96 701 97.89 98.95 2.71e-54 . . . . 4593 1 14 no EMBL CAA48534 . "gag [Rous sarcoma virus]" . . . . . 98.96 701 97.89 98.95 2.71e-54 . . . . 4593 1 15 no GB AAA66157 . "gag protein, partial [Avian carcinoma virus]" . . . . . 53.13 68 98.04 98.04 6.68e-26 . . . . 4593 1 16 no GB AAB59932 . "gag-Pr76 polyprotein precursor [Rous sarcoma virus - Prague C]" . . . . . 98.96 701 100.00 100.00 3.60e-55 . . . . 4593 1 17 no GB AAB59933 . "putative gag-pro-Pr180 polyprotein precursor [Rous sarcoma virus - Prague C]" . . . . . 98.96 1472 100.00 100.00 4.38e-54 . . . . 4593 1 18 no GB AAC82560 . "Pr76 polyprotein precursor [Rous sarcoma virus]" . . . . . 98.96 701 100.00 100.00 3.60e-55 . . . . 4593 1 19 no GB AAC82561 . "Pr180 polyprotein precursor [Rous sarcoma virus]" . . . . . 98.96 1603 100.00 100.00 5.41e-54 . . . . 4593 1 20 no REF NP_056886 . "Pr180 polyprotein precursor [Rous sarcoma virus]" . . . . . 98.96 1603 100.00 100.00 5.41e-54 . . . . 4593 1 21 no REF NP_056887 . "Pr76 polyprotein precursor [Rous sarcoma virus]" . . . . . 98.96 701 100.00 100.00 3.60e-55 . . . . 4593 1 22 no REF NP_955609 . "p27 CA [Rous sarcoma virus]" . . . . . 89.58 240 100.00 100.00 1.78e-52 . . . . 4593 1 23 no SP P03322 . "RecName: Full=Gag-Pro polyprotein; Contains: RecName: Full=p3; Contains: RecName: Full=Matrix protein p19; Contains: RecName: F" . . . . . 98.96 701 100.00 100.00 3.60e-55 . . . . 4593 1 24 no SP P03354 . "RecName: Full=Gag-Pro-Pol polyprotein; Contains: RecName: Full=Matrix protein p19; Contains: RecName: Full=p2A; Contains: RecNa" . . . . . 98.96 1603 100.00 100.00 5.41e-54 . . . . 4593 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RSV_CA common 4593 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 1 154 MET . 4593 1 2 155 ASP . 4593 1 3 156 ILE . 4593 1 4 157 MET . 4593 1 5 158 GLN . 4593 1 6 159 GLY . 4593 1 7 160 PRO . 4593 1 8 161 SER . 4593 1 9 162 GLU . 4593 1 10 163 SER . 4593 1 11 164 PHE . 4593 1 12 165 VAL . 4593 1 13 166 ASP . 4593 1 14 167 PHE . 4593 1 15 168 ALA . 4593 1 16 169 ASN . 4593 1 17 170 ARG . 4593 1 18 171 LEU . 4593 1 19 172 ILE . 4593 1 20 173 LYS . 4593 1 21 174 ALA . 4593 1 22 175 VAL . 4593 1 23 176 GLU . 4593 1 24 177 GLY . 4593 1 25 178 SER . 4593 1 26 179 ASP . 4593 1 27 180 LEU . 4593 1 28 181 PRO . 4593 1 29 182 PRO . 4593 1 30 183 SER . 4593 1 31 184 ALA . 4593 1 32 185 ARG . 4593 1 33 186 ALA . 4593 1 34 187 PRO . 4593 1 35 188 VAL . 4593 1 36 189 ILE . 4593 1 37 190 ILE . 4593 1 38 191 ASP . 4593 1 39 192 CYS . 4593 1 40 193 PHE . 4593 1 41 194 ARG . 4593 1 42 195 GLN . 4593 1 43 196 LYS . 4593 1 44 197 SER . 4593 1 45 198 GLN . 4593 1 46 199 PRO . 4593 1 47 200 ASP . 4593 1 48 201 ILE . 4593 1 49 202 GLN . 4593 1 50 203 GLN . 4593 1 51 204 LEU . 4593 1 52 205 ILE . 4593 1 53 206 ARG . 4593 1 54 207 THR . 4593 1 55 208 ALA . 4593 1 56 209 PRO . 4593 1 57 210 SER . 4593 1 58 211 THR . 4593 1 59 212 LEU . 4593 1 60 213 THR . 4593 1 61 214 THR . 4593 1 62 215 PRO . 4593 1 63 216 GLY . 4593 1 64 217 GLU . 4593 1 65 218 ILE . 4593 1 66 219 ILE . 4593 1 67 220 LYS . 4593 1 68 221 TYR . 4593 1 69 222 VAL . 4593 1 70 223 LEU . 4593 1 71 224 ASP . 4593 1 72 225 ARG . 4593 1 73 226 GLN . 4593 1 74 227 LYS . 4593 1 75 228 THR . 4593 1 76 229 ALA . 4593 1 77 230 PRO . 4593 1 78 231 LEU . 4593 1 79 232 THR . 4593 1 80 233 ASP . 4593 1 81 234 GLN . 4593 1 82 235 GLY . 4593 1 83 236 ILE . 4593 1 84 237 ALA . 4593 1 85 238 ALA . 4593 1 86 239 ALA . 4593 1 87 240 MET . 4593 1 88 241 SER . 4593 1 89 242 SER . 4593 1 90 243 ALA . 4593 1 91 244 ILE . 4593 1 92 245 GLN . 4593 1 93 246 PRO . 4593 1 94 247 LEU . 4593 1 95 248 ILE . 4593 1 96 249 MET . 4593 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 4593 1 . ASP 2 2 4593 1 . ILE 3 3 4593 1 . MET 4 4 4593 1 . GLN 5 5 4593 1 . GLY 6 6 4593 1 . PRO 7 7 4593 1 . SER 8 8 4593 1 . GLU 9 9 4593 1 . SER 10 10 4593 1 . PHE 11 11 4593 1 . VAL 12 12 4593 1 . ASP 13 13 4593 1 . PHE 14 14 4593 1 . ALA 15 15 4593 1 . ASN 16 16 4593 1 . ARG 17 17 4593 1 . LEU 18 18 4593 1 . ILE 19 19 4593 1 . LYS 20 20 4593 1 . ALA 21 21 4593 1 . VAL 22 22 4593 1 . GLU 23 23 4593 1 . GLY 24 24 4593 1 . SER 25 25 4593 1 . ASP 26 26 4593 1 . LEU 27 27 4593 1 . PRO 28 28 4593 1 . PRO 29 29 4593 1 . SER 30 30 4593 1 . ALA 31 31 4593 1 . ARG 32 32 4593 1 . ALA 33 33 4593 1 . PRO 34 34 4593 1 . VAL 35 35 4593 1 . ILE 36 36 4593 1 . ILE 37 37 4593 1 . ASP 38 38 4593 1 . CYS 39 39 4593 1 . PHE 40 40 4593 1 . ARG 41 41 4593 1 . GLN 42 42 4593 1 . LYS 43 43 4593 1 . SER 44 44 4593 1 . GLN 45 45 4593 1 . PRO 46 46 4593 1 . ASP 47 47 4593 1 . ILE 48 48 4593 1 . GLN 49 49 4593 1 . GLN 50 50 4593 1 . LEU 51 51 4593 1 . ILE 52 52 4593 1 . ARG 53 53 4593 1 . THR 54 54 4593 1 . ALA 55 55 4593 1 . PRO 56 56 4593 1 . SER 57 57 4593 1 . THR 58 58 4593 1 . LEU 59 59 4593 1 . THR 60 60 4593 1 . THR 61 61 4593 1 . PRO 62 62 4593 1 . GLY 63 63 4593 1 . GLU 64 64 4593 1 . ILE 65 65 4593 1 . ILE 66 66 4593 1 . LYS 67 67 4593 1 . TYR 68 68 4593 1 . VAL 69 69 4593 1 . LEU 70 70 4593 1 . ASP 71 71 4593 1 . ARG 72 72 4593 1 . GLN 73 73 4593 1 . LYS 74 74 4593 1 . THR 75 75 4593 1 . ALA 76 76 4593 1 . PRO 77 77 4593 1 . LEU 78 78 4593 1 . THR 79 79 4593 1 . ASP 80 80 4593 1 . GLN 81 81 4593 1 . GLY 82 82 4593 1 . ILE 83 83 4593 1 . ALA 84 84 4593 1 . ALA 85 85 4593 1 . ALA 86 86 4593 1 . MET 87 87 4593 1 . SER 88 88 4593 1 . SER 89 89 4593 1 . ALA 90 90 4593 1 . ILE 91 91 4593 1 . GLN 92 92 4593 1 . PRO 93 93 4593 1 . LEU 94 94 4593 1 . ILE 95 95 4593 1 . MET 96 96 4593 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 4593 _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 $RSV_CA . . . . 'Avian type C retroviruses Rous sarcoma virus - Prague C strain' . . . Virus . 'Avian type C retroviruses' 'Rous sarcoma virus - Prague C strain' . . . . . . . . . . . . . . . . . . . . . 4593 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 4593 _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 $RSV_CA . 'recombinant technology' 'Escherichia coli' E.coil . . Escherichia coli . . . . . . . . . . . . . . . . 'pET-3XC (NOVAGEN)' . . . . . . 4593 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4593 _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 RSV_CA [U-15N] . . 1 $RSV_CA . . 1.5 . . mM . . . . 4593 1 2 'Sodium phosphate' . . . . . . . 50 . . mM . . . . 4593 1 3 NaCl . . . . . . . 50 . . mM . . . . 4593 1 4 EDTA . . . . . . . 1 . . mM . . . . 4593 1 5 DTT . . . . . . . 1 . . mM . . . . 4593 1 6 H2O . . . . . . . 90 . . % . . . . 4593 1 7 D2O . . . . . . . 10 . . % . . . . 4593 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4593 _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 RSV_CA '[U-15N; U-13C]' . . 1 $RSV_CA . . 1.5 . . mM . . . . 4593 2 2 'Sodium phosphate' . . . . . . . 50 . . mM . . . . 4593 2 3 NaCl . . . . . . . 50 . . mM . . . . 4593 2 4 EDTA . . . . . . . 1 . . mM . . . . 4593 2 5 DTT . . . . . . . 1 . . mM . . . . 4593 2 6 H2O . . . . . . . 90 . . % . . . . 4593 2 7 D2O . . . . . . . 10 . . % . . . . 4593 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 4593 _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 4.9 . n/a 4593 1 temperature 298 . K 4593 1 'ionic strength' 0.1 . M 4593 1 pressure 1 . atm 4593 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4593 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.6 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4593 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 4593 _Software.ID 2 _Software.Name ANSIG _Software.Version 3.3 _Software.Details 'Kraulis, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4593 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 4593 _Software.ID 3 _Software.Name CNS _Software.Version 1.0 _Software.Details ; Brunger, Adams, Clore, Delano, Gros, Grosse-Kunstleve, Jiang, Kuszewski, Nilges, Pannu, Read, Rice, Simonson, Warren. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 4593 3 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 4593 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4593 _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 UnityPlus . 600 . . . 4593 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 4593 _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 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4593 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4593 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4593 1 4 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4593 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 4593 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated 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 4593 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4593 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNHA _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4593 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNHB _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 4593 _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 4.752 internal direct . . . . . . . . . . 4593 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 4593 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 4593 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 4593 _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_1 . 4593 1 . . 2 $sample_2 . 4593 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 2 2 ASP H H 1 8.970 0.02 . 1 . . . . . . . . 4593 1 2 . 1 1 2 2 ASP HA H 1 4.816 0.02 . 1 . . . . . . . . 4593 1 3 . 1 1 2 2 ASP HB2 H 1 2.579 0.02 . 2 . . . . . . . . 4593 1 4 . 1 1 2 2 ASP HB3 H 1 2.718 0.02 . 2 . . . . . . . . 4593 1 5 . 1 1 2 2 ASP CA C 13 53.96 0.2 . 1 . . . . . . . . 4593 1 6 . 1 1 2 2 ASP CB C 13 40.79 0.2 . 1 . . . . . . . . 4593 1 7 . 1 1 2 2 ASP N N 15 126.61 0.1 . 1 . . . . . . . . 4593 1 8 . 1 1 3 3 ILE H H 1 7.638 0.02 . 1 . . . . . . . . 4593 1 9 . 1 1 3 3 ILE HA H 1 4.239 0.02 . 1 . . . . . . . . 4593 1 10 . 1 1 3 3 ILE HB H 1 1.811 0.02 . 1 . . . . . . . . 4593 1 11 . 1 1 3 3 ILE HG12 H 1 1.173 0.02 . 2 . . . . . . . . 4593 1 12 . 1 1 3 3 ILE HG13 H 1 1.520 0.02 . 2 . . . . . . . . 4593 1 13 . 1 1 3 3 ILE HG21 H 1 0.850 0.02 . 1 . . . . . . . . 4593 1 14 . 1 1 3 3 ILE HG22 H 1 0.850 0.02 . 1 . . . . . . . . 4593 1 15 . 1 1 3 3 ILE HG23 H 1 0.850 0.02 . 1 . . . . . . . . 4593 1 16 . 1 1 3 3 ILE HD11 H 1 0.772 0.02 . 1 . . . . . . . . 4593 1 17 . 1 1 3 3 ILE HD12 H 1 0.772 0.02 . 1 . . . . . . . . 4593 1 18 . 1 1 3 3 ILE HD13 H 1 0.772 0.02 . 1 . . . . . . . . 4593 1 19 . 1 1 3 3 ILE CA C 13 60.76 0.2 . 1 . . . . . . . . 4593 1 20 . 1 1 3 3 ILE CB C 13 39.13 0.2 . 1 . . . . . . . . 4593 1 21 . 1 1 3 3 ILE CG1 C 13 28.22 0.2 . 1 . . . . . . . . 4593 1 22 . 1 1 3 3 ILE CG2 C 13 17.24 0.2 . 1 . . . . . . . . 4593 1 23 . 1 1 3 3 ILE CD1 C 13 13.08 0.2 . 1 . . . . . . . . 4593 1 24 . 1 1 3 3 ILE N N 15 123.29 0.1 . 1 . . . . . . . . 4593 1 25 . 1 1 4 4 MET H H 1 8.250 0.02 . 1 . . . . . . . . 4593 1 26 . 1 1 4 4 MET HA H 1 4.867 0.02 . 1 . . . . . . . . 4593 1 27 . 1 1 4 4 MET HB2 H 1 2.023 0.02 . 1 . . . . . . . . 4593 1 28 . 1 1 4 4 MET HB3 H 1 2.023 0.02 . 1 . . . . . . . . 4593 1 29 . 1 1 4 4 MET HG2 H 1 2.464 0.02 . 2 . . . . . . . . 4593 1 30 . 1 1 4 4 MET HG3 H 1 2.522 0.02 . 2 . . . . . . . . 4593 1 31 . 1 1 4 4 MET CA C 13 54.50 0.2 . 1 . . . . . . . . 4593 1 32 . 1 1 4 4 MET CB C 13 36.00 0.2 . 1 . . . . . . . . 4593 1 33 . 1 1 4 4 MET CG C 13 31.56 0.2 . 1 . . . . . . . . 4593 1 34 . 1 1 4 4 MET N N 15 121.72 0.1 . 1 . . . . . . . . 4593 1 35 . 1 1 5 5 GLN H H 1 7.544 0.02 . 1 . . . . . . . . 4593 1 36 . 1 1 5 5 GLN HA H 1 3.737 0.02 . 1 . . . . . . . . 4593 1 37 . 1 1 5 5 GLN HB2 H 1 0.093 0.02 . 2 . . . . . . . . 4593 1 38 . 1 1 5 5 GLN HB3 H 1 1.533 0.02 . 2 . . . . . . . . 4593 1 39 . 1 1 5 5 GLN HG2 H 1 1.989 0.02 . 2 . . . . . . . . 4593 1 40 . 1 1 5 5 GLN HG3 H 1 2.922 0.02 . 2 . . . . . . . . 4593 1 41 . 1 1 5 5 GLN HE21 H 1 6.178 0.02 . 2 . . . . . . . . 4593 1 42 . 1 1 5 5 GLN HE22 H 1 7.465 0.02 . 2 . . . . . . . . 4593 1 43 . 1 1 5 5 GLN CA C 13 56.200 0.2 . 1 . . . . . . . . 4593 1 44 . 1 1 5 5 GLN CB C 13 27.900 0.2 . 1 . . . . . . . . 4593 1 45 . 1 1 5 5 GLN CG C 13 32.300 0.2 . 1 . . . . . . . . 4593 1 46 . 1 1 5 5 GLN N N 15 126.25 0.1 . 1 . . . . . . . . 4593 1 47 . 1 1 5 5 GLN NE2 N 15 105.35 0.1 . 1 . . . . . . . . 4593 1 48 . 1 1 6 6 GLY H H 1 9.732 0.02 . 1 . . . . . . . . 4593 1 49 . 1 1 6 6 GLY HA2 H 1 4.350 0.02 . 2 . . . . . . . . 4593 1 50 . 1 1 6 6 GLY HA3 H 1 3.922 0.02 . 2 . . . . . . . . 4593 1 51 . 1 1 6 6 GLY CA C 13 44.960 0.2 . 1 . . . . . . . . 4593 1 52 . 1 1 6 6 GLY N N 15 118.84 0.1 . 1 . . . . . . . . 4593 1 53 . 1 1 7 7 PRO HA H 1 4.196 0.02 . 1 . . . . . . . . 4593 1 54 . 1 1 7 7 PRO HB2 H 1 2.321 0.02 . 2 . . . . . . . . 4593 1 55 . 1 1 7 7 PRO HB3 H 1 2.029 0.02 . 2 . . . . . . . . 4593 1 56 . 1 1 7 7 PRO HG2 H 1 2.091 0.02 . 1 . . . . . . . . 4593 1 57 . 1 1 7 7 PRO HG3 H 1 2.091 0.02 . 1 . . . . . . . . 4593 1 58 . 1 1 7 7 PRO HD2 H 1 3.777 0.02 . 2 . . . . . . . . 4593 1 59 . 1 1 7 7 PRO HD3 H 1 3.707 0.02 . 2 . . . . . . . . 4593 1 60 . 1 1 7 7 PRO CA C 13 65.03 0.2 . 1 . . . . . . . . 4593 1 61 . 1 1 7 7 PRO CB C 13 31.74 0.2 . 1 . . . . . . . . 4593 1 62 . 1 1 7 7 PRO CG C 13 27.62 0.2 . 1 . . . . . . . . 4593 1 63 . 1 1 7 7 PRO CD C 13 49.96 0.2 . 1 . . . . . . . . 4593 1 64 . 1 1 8 8 SER H H 1 8.384 0.02 . 1 . . . . . . . . 4593 1 65 . 1 1 8 8 SER HA H 1 4.715 0.02 . 1 . . . . . . . . 4593 1 66 . 1 1 8 8 SER HB2 H 1 3.928 0.02 . 1 . . . . . . . . 4593 1 67 . 1 1 8 8 SER HB3 H 1 3.928 0.02 . 1 . . . . . . . . 4593 1 68 . 1 1 8 8 SER CA C 13 56.85 0.2 . 1 . . . . . . . . 4593 1 69 . 1 1 8 8 SER CB C 13 63.67 0.2 . 1 . . . . . . . . 4593 1 70 . 1 1 8 8 SER N N 15 112.57 0.1 . 1 . . . . . . . . 4593 1 71 . 1 1 9 9 GLU H H 1 7.299 0.02 . 1 . . . . . . . . 4593 1 72 . 1 1 9 9 GLU HA H 1 4.499 0.02 . 1 . . . . . . . . 4593 1 73 . 1 1 9 9 GLU HB2 H 1 2.365 0.02 . 2 . . . . . . . . 4593 1 74 . 1 1 9 9 GLU HB3 H 1 1.777 0.02 . 2 . . . . . . . . 4593 1 75 . 1 1 9 9 GLU HG2 H 1 2.388 0.02 . 2 . . . . . . . . 4593 1 76 . 1 1 9 9 GLU HG3 H 1 2.787 0.02 . 2 . . . . . . . . 4593 1 77 . 1 1 9 9 GLU CA C 13 54.75 0.2 . 1 . . . . . . . . 4593 1 78 . 1 1 9 9 GLU CB C 13 32.12 0.2 . 1 . . . . . . . . 4593 1 79 . 1 1 9 9 GLU CG C 13 36.21 0.2 . 1 . . . . . . . . 4593 1 80 . 1 1 9 9 GLU N N 15 125.82 0.1 . 1 . . . . . . . . 4593 1 81 . 1 1 10 10 SER H H 1 9.767 0.02 . 1 . . . . . . . . 4593 1 82 . 1 1 10 10 SER HA H 1 4.468 0.02 . 1 . . . . . . . . 4593 1 83 . 1 1 10 10 SER HB2 H 1 4.134 0.02 . 2 . . . . . . . . 4593 1 84 . 1 1 10 10 SER HB3 H 1 4.366 0.02 . 2 . . . . . . . . 4593 1 85 . 1 1 10 10 SER CA C 13 58.13 0.2 . 1 . . . . . . . . 4593 1 86 . 1 1 10 10 SER CB C 13 64.19 0.2 . 1 . . . . . . . . 4593 1 87 . 1 1 10 10 SER N N 15 127.28 0.1 . 1 . . . . . . . . 4593 1 88 . 1 1 11 11 PHE H H 1 9.430 0.02 . 1 . . . . . . . . 4593 1 89 . 1 1 11 11 PHE HA H 1 4.330 0.02 . 1 . . . . . . . . 4593 1 90 . 1 1 11 11 PHE HB2 H 1 2.943 0.02 . 2 . . . . . . . . 4593 1 91 . 1 1 11 11 PHE HB3 H 1 3.291 0.02 . 2 . . . . . . . . 4593 1 92 . 1 1 11 11 PHE HD1 H 1 7.127 0.02 . 1 . . . . . . . . 4593 1 93 . 1 1 11 11 PHE HD2 H 1 7.127 0.02 . 1 . . . . . . . . 4593 1 94 . 1 1 11 11 PHE HE1 H 1 7.040 0.02 . 1 . . . . . . . . 4593 1 95 . 1 1 11 11 PHE HE2 H 1 7.040 0.02 . 1 . . . . . . . . 4593 1 96 . 1 1 11 11 PHE HZ H 1 5.912 0.02 . 1 . . . . . . . . 4593 1 97 . 1 1 11 11 PHE CA C 13 62.93 0.2 . 1 . . . . . . . . 4593 1 98 . 1 1 11 11 PHE CB C 13 39.13 0.2 . 1 . . . . . . . . 4593 1 99 . 1 1 11 11 PHE N N 15 124.30 0.1 . 1 . . . . . . . . 4593 1 100 . 1 1 12 12 VAL H H 1 8.468 0.02 . 1 . . . . . . . . 4593 1 101 . 1 1 12 12 VAL HA H 1 3.480 0.02 . 1 . . . . . . . . 4593 1 102 . 1 1 12 12 VAL HB H 1 2.033 0.02 . 1 . . . . . . . . 4593 1 103 . 1 1 12 12 VAL HG11 H 1 1.084 0.02 . 2 . . . . . . . . 4593 1 104 . 1 1 12 12 VAL HG12 H 1 1.084 0.02 . 2 . . . . . . . . 4593 1 105 . 1 1 12 12 VAL HG13 H 1 1.084 0.02 . 2 . . . . . . . . 4593 1 106 . 1 1 12 12 VAL HG21 H 1 0.968 0.02 . 2 . . . . . . . . 4593 1 107 . 1 1 12 12 VAL HG22 H 1 0.968 0.02 . 2 . . . . . . . . 4593 1 108 . 1 1 12 12 VAL HG23 H 1 0.968 0.02 . 2 . . . . . . . . 4593 1 109 . 1 1 12 12 VAL CA C 13 66.36 0.2 . 1 . . . . . . . . 4593 1 110 . 1 1 12 12 VAL CB C 13 31.86 0.2 . 1 . . . . . . . . 4593 1 111 . 1 1 12 12 VAL CG1 C 13 23.13 0.2 . 2 . . . . . . . . 4593 1 112 . 1 1 12 12 VAL CG2 C 13 20.88 0.2 . 2 . . . . . . . . 4593 1 113 . 1 1 12 12 VAL N N 15 116.50 0.1 . 1 . . . . . . . . 4593 1 114 . 1 1 13 13 ASP H H 1 7.389 0.02 . 1 . . . . . . . . 4593 1 115 . 1 1 13 13 ASP HA H 1 4.508 0.02 . 1 . . . . . . . . 4593 1 116 . 1 1 13 13 ASP HB2 H 1 2.874 0.02 . 1 . . . . . . . . 4593 1 117 . 1 1 13 13 ASP HB3 H 1 2.874 0.02 . 1 . . . . . . . . 4593 1 118 . 1 1 13 13 ASP CA C 13 57.650 0.2 . 1 . . . . . . . . 4593 1 119 . 1 1 13 13 ASP CB C 13 39.750 0.2 . 1 . . . . . . . . 4593 1 120 . 1 1 13 13 ASP N N 15 121.55 0.1 . 1 . . . . . . . . 4593 1 121 . 1 1 14 14 PHE H H 1 8.249 0.02 . 1 . . . . . . . . 4593 1 122 . 1 1 14 14 PHE HA H 1 4.513 0.02 . 1 . . . . . . . . 4593 1 123 . 1 1 14 14 PHE HB2 H 1 3.004 0.02 . 2 . . . . . . . . 4593 1 124 . 1 1 14 14 PHE HB3 H 1 3.280 0.02 . 2 . . . . . . . . 4593 1 125 . 1 1 14 14 PHE HD1 H 1 7.119 0.02 . 1 . . . . . . . . 4593 1 126 . 1 1 14 14 PHE HD2 H 1 7.119 0.02 . 1 . . . . . . . . 4593 1 127 . 1 1 14 14 PHE HE1 H 1 7.141 0.02 . 1 . . . . . . . . 4593 1 128 . 1 1 14 14 PHE HE2 H 1 7.141 0.02 . 1 . . . . . . . . 4593 1 129 . 1 1 14 14 PHE HZ H 1 7.006 0.02 . 1 . . . . . . . . 4593 1 130 . 1 1 14 14 PHE CA C 13 59.52 0.2 . 1 . . . . . . . . 4593 1 131 . 1 1 14 14 PHE CB C 13 39.26 0.2 . 1 . . . . . . . . 4593 1 132 . 1 1 14 14 PHE N N 15 123.90 0.1 . 1 . . . . . . . . 4593 1 133 . 1 1 15 15 ALA H H 1 8.931 0.02 . 1 . . . . . . . . 4593 1 134 . 1 1 15 15 ALA HA H 1 3.366 0.02 . 1 . . . . . . . . 4593 1 135 . 1 1 15 15 ALA HB1 H 1 0.945 0.02 . 1 . . . . . . . . 4593 1 136 . 1 1 15 15 ALA HB2 H 1 0.945 0.02 . 1 . . . . . . . . 4593 1 137 . 1 1 15 15 ALA HB3 H 1 0.945 0.02 . 1 . . . . . . . . 4593 1 138 . 1 1 15 15 ALA CA C 13 55.29 0.2 . 1 . . . . . . . . 4593 1 139 . 1 1 15 15 ALA CB C 13 17.38 0.2 . 1 . . . . . . . . 4593 1 140 . 1 1 15 15 ALA N N 15 121.74 0.1 . 1 . . . . . . . . 4593 1 141 . 1 1 16 16 ASN H H 1 7.902 0.02 . 1 . . . . . . . . 4593 1 142 . 1 1 16 16 ASN HA H 1 4.381 0.02 . 1 . . . . . . . . 4593 1 143 . 1 1 16 16 ASN HB2 H 1 2.718 0.02 . 2 . . . . . . . . 4593 1 144 . 1 1 16 16 ASN HB3 H 1 2.873 0.02 . 2 . . . . . . . . 4593 1 145 . 1 1 16 16 ASN HD21 H 1 7.758 0.02 . 2 . . . . . . . . 4593 1 146 . 1 1 16 16 ASN HD22 H 1 6.843 0.02 . 2 . . . . . . . . 4593 1 147 . 1 1 16 16 ASN CA C 13 56.39 0.2 . 1 . . . . . . . . 4593 1 148 . 1 1 16 16 ASN CB C 13 38.50 0.2 . 1 . . . . . . . . 4593 1 149 . 1 1 16 16 ASN N N 15 114.02 0.1 . 1 . . . . . . . . 4593 1 150 . 1 1 16 16 ASN ND2 N 15 112.76 0.1 . 1 . . . . . . . . 4593 1 151 . 1 1 17 17 ARG H H 1 7.939 0.02 . 1 . . . . . . . . 4593 1 152 . 1 1 17 17 ARG HA H 1 4.038 0.02 . 1 . . . . . . . . 4593 1 153 . 1 1 17 17 ARG HB2 H 1 1.943 0.02 . 2 . . . . . . . . 4593 1 154 . 1 1 17 17 ARG HB3 H 1 2.002 0.02 . 2 . . . . . . . . 4593 1 155 . 1 1 17 17 ARG HG2 H 1 1.571 0.02 . 2 . . . . . . . . 4593 1 156 . 1 1 17 17 ARG HG3 H 1 1.693 0.02 . 2 . . . . . . . . 4593 1 157 . 1 1 17 17 ARG HD2 H 1 3.134 0.02 . 2 . . . . . . . . 4593 1 158 . 1 1 17 17 ARG HD3 H 1 3.435 0.02 . 2 . . . . . . . . 4593 1 159 . 1 1 17 17 ARG HE H 1 9.851 0.02 . 1 . . . . . . . . 4593 1 160 . 1 1 17 17 ARG CA C 13 59.920 0.2 . 1 . . . . . . . . 4593 1 161 . 1 1 17 17 ARG CB C 13 31.150 0.2 . 1 . . . . . . . . 4593 1 162 . 1 1 17 17 ARG CG C 13 28.550 0.2 . 1 . . . . . . . . 4593 1 163 . 1 1 17 17 ARG CD C 13 43.920 0.2 . 1 . . . . . . . . 4593 1 164 . 1 1 17 17 ARG N N 15 121.62 0.1 . 1 . . . . . . . . 4593 1 165 . 1 1 17 17 ARG NE N 15 84.831 0.1 . 1 . . . . . . . . 4593 1 166 . 1 1 18 18 LEU H H 1 8.604 0.02 . 1 . . . . . . . . 4593 1 167 . 1 1 18 18 LEU HA H 1 3.846 0.02 . 1 . . . . . . . . 4593 1 168 . 1 1 18 18 LEU HB2 H 1 0.860 0.02 . 2 . . . . . . . . 4593 1 169 . 1 1 18 18 LEU HB3 H 1 1.485 0.02 . 2 . . . . . . . . 4593 1 170 . 1 1 18 18 LEU HG H 1 0.688 0.02 . 1 . . . . . . . . 4593 1 171 . 1 1 18 18 LEU HD11 H 1 0.349 0.02 . 2 . . . . . . . . 4593 1 172 . 1 1 18 18 LEU HD12 H 1 0.349 0.02 . 2 . . . . . . . . 4593 1 173 . 1 1 18 18 LEU HD13 H 1 0.349 0.02 . 2 . . . . . . . . 4593 1 174 . 1 1 18 18 LEU HD21 H 1 1.120 0.02 . 2 . . . . . . . . 4593 1 175 . 1 1 18 18 LEU HD22 H 1 1.120 0.02 . 2 . . . . . . . . 4593 1 176 . 1 1 18 18 LEU HD23 H 1 1.120 0.02 . 2 . . . . . . . . 4593 1 177 . 1 1 18 18 LEU CA C 13 57.92 0.2 . 1 . . . . . . . . 4593 1 178 . 1 1 18 18 LEU CB C 13 41.63 0.2 . 1 . . . . . . . . 4593 1 179 . 1 1 18 18 LEU CG C 13 24.49 0.2 . 1 . . . . . . . . 4593 1 180 . 1 1 18 18 LEU CD1 C 13 27.11 0.2 . 2 . . . . . . . . 4593 1 181 . 1 1 18 18 LEU CD2 C 13 27.26 0.2 . 2 . . . . . . . . 4593 1 182 . 1 1 18 18 LEU N N 15 122.99 0.1 . 1 . . . . . . . . 4593 1 183 . 1 1 19 19 ILE H H 1 8.457 0.02 . 1 . . . . . . . . 4593 1 184 . 1 1 19 19 ILE HA H 1 3.307 0.02 . 1 . . . . . . . . 4593 1 185 . 1 1 19 19 ILE HB H 1 1.815 0.02 . 1 . . . . . . . . 4593 1 186 . 1 1 19 19 ILE HG12 H 1 0.962 0.02 . 2 . . . . . . . . 4593 1 187 . 1 1 19 19 ILE HG13 H 1 1.763 0.02 . 2 . . . . . . . . 4593 1 188 . 1 1 19 19 ILE HG21 H 1 0.842 0.02 . 1 . . . . . . . . 4593 1 189 . 1 1 19 19 ILE HG22 H 1 0.842 0.02 . 1 . . . . . . . . 4593 1 190 . 1 1 19 19 ILE HG23 H 1 0.842 0.02 . 1 . . . . . . . . 4593 1 191 . 1 1 19 19 ILE HD11 H 1 0.842 0.02 . 1 . . . . . . . . 4593 1 192 . 1 1 19 19 ILE HD12 H 1 0.842 0.02 . 1 . . . . . . . . 4593 1 193 . 1 1 19 19 ILE HD13 H 1 0.842 0.02 . 1 . . . . . . . . 4593 1 194 . 1 1 19 19 ILE CA C 13 66.50 0.2 . 1 . . . . . . . . 4593 1 195 . 1 1 19 19 ILE CB C 13 37.88 0.2 . 1 . . . . . . . . 4593 1 196 . 1 1 19 19 ILE CG1 C 13 30.80 0.2 . 1 . . . . . . . . 4593 1 197 . 1 1 19 19 ILE CG2 C 13 17.31 0.2 . 1 . . . . . . . . 4593 1 198 . 1 1 19 19 ILE CD1 C 13 13.77 0.2 . 1 . . . . . . . . 4593 1 199 . 1 1 19 19 ILE N N 15 119.22 0.1 . 1 . . . . . . . . 4593 1 200 . 1 1 20 20 LYS H H 1 7.668 0.02 . 1 . . . . . . . . 4593 1 201 . 1 1 20 20 LYS HA H 1 4.014 0.02 . 1 . . . . . . . . 4593 1 202 . 1 1 20 20 LYS HB2 H 1 1.838 0.02 . 1 . . . . . . . . 4593 1 203 . 1 1 20 20 LYS HB3 H 1 1.838 0.02 . 1 . . . . . . . . 4593 1 204 . 1 1 20 20 LYS HG2 H 1 1.431 0.02 . 2 . . . . . . . . 4593 1 205 . 1 1 20 20 LYS HG3 H 1 1.539 0.02 . 2 . . . . . . . . 4593 1 206 . 1 1 20 20 LYS HD2 H 1 1.658 0.02 . 1 . . . . . . . . 4593 1 207 . 1 1 20 20 LYS HD3 H 1 1.658 0.02 . 1 . . . . . . . . 4593 1 208 . 1 1 20 20 LYS HE2 H 1 2.962 0.02 . 1 . . . . . . . . 4593 1 209 . 1 1 20 20 LYS HE3 H 1 2.962 0.02 . 1 . . . . . . . . 4593 1 210 . 1 1 20 20 LYS CA C 13 59.42 0.2 . 1 . . . . . . . . 4593 1 211 . 1 1 20 20 LYS CB C 13 32.39 0.2 . 1 . . . . . . . . 4593 1 212 . 1 1 20 20 LYS CG C 13 25.30 0.2 . 1 . . . . . . . . 4593 1 213 . 1 1 20 20 LYS CD C 13 29.16 0.2 . 1 . . . . . . . . 4593 1 214 . 1 1 20 20 LYS CE C 13 42.25 0.2 . 1 . . . . . . . . 4593 1 215 . 1 1 20 20 LYS N N 15 118.14 0.1 . 1 . . . . . . . . 4593 1 216 . 1 1 21 21 ALA H H 1 7.900 0.02 . 1 . . . . . . . . 4593 1 217 . 1 1 21 21 ALA HA H 1 4.100 0.02 . 1 . . . . . . . . 4593 1 218 . 1 1 21 21 ALA HB1 H 1 1.489 0.02 . 1 . . . . . . . . 4593 1 219 . 1 1 21 21 ALA HB2 H 1 1.489 0.02 . 1 . . . . . . . . 4593 1 220 . 1 1 21 21 ALA HB3 H 1 1.489 0.02 . 1 . . . . . . . . 4593 1 221 . 1 1 21 21 ALA CA C 13 54.92 0.2 . 1 . . . . . . . . 4593 1 222 . 1 1 21 21 ALA CB C 13 18.34 0.2 . 1 . . . . . . . . 4593 1 223 . 1 1 21 21 ALA N N 15 122.23 0.1 . 1 . . . . . . . . 4593 1 224 . 1 1 22 22 VAL H H 1 8.446 0.02 . 1 . . . . . . . . 4593 1 225 . 1 1 22 22 VAL HA H 1 3.585 0.02 . 1 . . . . . . . . 4593 1 226 . 1 1 22 22 VAL HB H 1 1.989 0.02 . 1 . . . . . . . . 4593 1 227 . 1 1 22 22 VAL HG11 H 1 0.932 0.02 . 2 . . . . . . . . 4593 1 228 . 1 1 22 22 VAL HG12 H 1 0.932 0.02 . 2 . . . . . . . . 4593 1 229 . 1 1 22 22 VAL HG13 H 1 0.932 0.02 . 2 . . . . . . . . 4593 1 230 . 1 1 22 22 VAL HG21 H 1 0.912 0.02 . 2 . . . . . . . . 4593 1 231 . 1 1 22 22 VAL HG22 H 1 0.912 0.02 . 2 . . . . . . . . 4593 1 232 . 1 1 22 22 VAL HG23 H 1 0.912 0.02 . 2 . . . . . . . . 4593 1 233 . 1 1 22 22 VAL CA C 13 66.69 0.2 . 1 . . . . . . . . 4593 1 234 . 1 1 22 22 VAL CB C 13 31.81 0.2 . 1 . . . . . . . . 4593 1 235 . 1 1 22 22 VAL CG1 C 13 23.77 0.2 . 2 . . . . . . . . 4593 1 236 . 1 1 22 22 VAL CG2 C 13 21.55 0.2 . 2 . . . . . . . . 4593 1 237 . 1 1 22 22 VAL N N 15 118.75 0.1 . 1 . . . . . . . . 4593 1 238 . 1 1 23 23 GLU H H 1 8.895 0.02 . 1 . . . . . . . . 4593 1 239 . 1 1 23 23 GLU HA H 1 3.949 0.02 . 1 . . . . . . . . 4593 1 240 . 1 1 23 23 GLU HB2 H 1 2.045 0.02 . 2 . . . . . . . . 4593 1 241 . 1 1 23 23 GLU HB3 H 1 2.164 0.02 . 2 . . . . . . . . 4593 1 242 . 1 1 23 23 GLU HG2 H 1 2.527 0.02 . 2 . . . . . . . . 4593 1 243 . 1 1 23 23 GLU HG3 H 1 2.179 0.02 . 2 . . . . . . . . 4593 1 244 . 1 1 23 23 GLU CA C 13 59.540 0.2 . 1 . . . . . . . . 4593 1 245 . 1 1 23 23 GLU CB C 13 29.150 0.2 . 1 . . . . . . . . 4593 1 246 . 1 1 23 23 GLU CG C 13 36.830 0.2 . 1 . . . . . . . . 4593 1 247 . 1 1 23 23 GLU N N 15 121.85 0.1 . 1 . . . . . . . . 4593 1 248 . 1 1 24 24 GLY H H 1 7.510 0.02 . 1 . . . . . . . . 4593 1 249 . 1 1 24 24 GLY HA2 H 1 3.707 0.02 . 2 . . . . . . . . 4593 1 250 . 1 1 24 24 GLY HA3 H 1 4.367 0.02 . 2 . . . . . . . . 4593 1 251 . 1 1 24 24 GLY CA C 13 45.17 0.2 . 1 . . . . . . . . 4593 1 252 . 1 1 24 24 GLY N N 15 104.10 0.1 . 1 . . . . . . . . 4593 1 253 . 1 1 25 25 SER H H 1 7.386 0.02 . 1 . . . . . . . . 4593 1 254 . 1 1 25 25 SER HA H 1 4.645 0.02 . 1 . . . . . . . . 4593 1 255 . 1 1 25 25 SER HB2 H 1 4.206 0.02 . 1 . . . . . . . . 4593 1 256 . 1 1 25 25 SER HB3 H 1 4.206 0.02 . 1 . . . . . . . . 4593 1 257 . 1 1 25 25 SER CA C 13 58.68 0.2 . 1 . . . . . . . . 4593 1 258 . 1 1 25 25 SER CB C 13 65.45 0.2 . 1 . . . . . . . . 4593 1 259 . 1 1 25 25 SER N N 15 117.06 0.1 . 1 . . . . . . . . 4593 1 260 . 1 1 26 26 ASP H H 1 8.391 0.02 . 1 . . . . . . . . 4593 1 261 . 1 1 26 26 ASP HA H 1 4.665 0.02 . 1 . . . . . . . . 4593 1 262 . 1 1 26 26 ASP HB2 H 1 2.786 0.02 . 1 . . . . . . . . 4593 1 263 . 1 1 26 26 ASP HB3 H 1 2.786 0.02 . 1 . . . . . . . . 4593 1 264 . 1 1 26 26 ASP CA C 13 53.78 0.2 . 1 . . . . . . . . 4593 1 265 . 1 1 26 26 ASP CB C 13 40.17 0.2 . 1 . . . . . . . . 4593 1 266 . 1 1 26 26 ASP N N 15 117.40 0.1 . 1 . . . . . . . . 4593 1 267 . 1 1 27 27 LEU H H 1 7.791 0.02 . 1 . . . . . . . . 4593 1 268 . 1 1 27 27 LEU HA H 1 4.425 0.02 . 1 . . . . . . . . 4593 1 269 . 1 1 27 27 LEU HB2 H 1 1.519 0.02 . 2 . . . . . . . . 4593 1 270 . 1 1 27 27 LEU HB3 H 1 1.244 0.02 . 2 . . . . . . . . 4593 1 271 . 1 1 27 27 LEU HG H 1 1.787 0.02 . 1 . . . . . . . . 4593 1 272 . 1 1 27 27 LEU HD11 H 1 0.912 0.02 . 1 . . . . . . . . 4593 1 273 . 1 1 27 27 LEU HD12 H 1 0.912 0.02 . 1 . . . . . . . . 4593 1 274 . 1 1 27 27 LEU HD13 H 1 0.912 0.02 . 1 . . . . . . . . 4593 1 275 . 1 1 27 27 LEU HD21 H 1 0.912 0.02 . 1 . . . . . . . . 4593 1 276 . 1 1 27 27 LEU HD22 H 1 0.912 0.02 . 1 . . . . . . . . 4593 1 277 . 1 1 27 27 LEU HD23 H 1 0.912 0.02 . 1 . . . . . . . . 4593 1 278 . 1 1 27 27 LEU CA C 13 53.77 0.2 . 1 . . . . . . . . 4593 1 279 . 1 1 27 27 LEU CB C 13 42.67 0.2 . 1 . . . . . . . . 4593 1 280 . 1 1 27 27 LEU CG C 13 27.11 0.2 . 1 . . . . . . . . 4593 1 281 . 1 1 27 27 LEU CD1 C 13 23.67 0.2 . 1 . . . . . . . . 4593 1 282 . 1 1 27 27 LEU CD2 C 13 23.67 0.2 . 1 . . . . . . . . 4593 1 283 . 1 1 27 27 LEU N N 15 122.15 0.1 . 1 . . . . . . . . 4593 1 284 . 1 1 28 28 PRO HA H 1 4.782 0.02 . 1 . . . . . . . . 4593 1 285 . 1 1 28 28 PRO HB2 H 1 1.920 0.02 . 2 . . . . . . . . 4593 1 286 . 1 1 28 28 PRO HB3 H 1 2.451 0.02 . 2 . . . . . . . . 4593 1 287 . 1 1 28 28 PRO HG2 H 1 2.095 0.02 . 1 . . . . . . . . 4593 1 288 . 1 1 28 28 PRO HG3 H 1 2.095 0.02 . 1 . . . . . . . . 4593 1 289 . 1 1 28 28 PRO HD2 H 1 3.516 0.02 . 2 . . . . . . . . 4593 1 290 . 1 1 28 28 PRO HD3 H 1 3.968 0.02 . 2 . . . . . . . . 4593 1 291 . 1 1 28 28 PRO CB C 13 31.01 0.2 . 1 . . . . . . . . 4593 1 292 . 1 1 28 28 PRO CG C 13 27.80 0.2 . 1 . . . . . . . . 4593 1 293 . 1 1 28 28 PRO CD C 13 50.58 0.2 . 1 . . . . . . . . 4593 1 294 . 1 1 29 29 PRO HA H 1 3.904 0.02 . 1 . . . . . . . . 4593 1 295 . 1 1 29 29 PRO HB2 H 1 2.040 0.02 . 2 . . . . . . . . 4593 1 296 . 1 1 29 29 PRO HB3 H 1 2.394 0.02 . 2 . . . . . . . . 4593 1 297 . 1 1 29 29 PRO HG2 H 1 2.273 0.02 . 1 . . . . . . . . 4593 1 298 . 1 1 29 29 PRO HG3 H 1 2.273 0.02 . 1 . . . . . . . . 4593 1 299 . 1 1 29 29 PRO HD2 H 1 3.950 0.02 . 2 . . . . . . . . 4593 1 300 . 1 1 29 29 PRO HD3 H 1 3.828 0.02 . 2 . . . . . . . . 4593 1 301 . 1 1 29 29 PRO CA C 13 66.50 0.2 . 1 . . . . . . . . 4593 1 302 . 1 1 29 29 PRO CB C 13 32.27 0.2 . 1 . . . . . . . . 4593 1 303 . 1 1 29 29 PRO CG C 13 28.00 0.2 . 1 . . . . . . . . 4593 1 304 . 1 1 29 29 PRO CD C 13 50.38 0.2 . 1 . . . . . . . . 4593 1 305 . 1 1 30 30 SER H H 1 8.409 0.02 . 1 . . . . . . . . 4593 1 306 . 1 1 30 30 SER HA H 1 4.222 0.02 . 1 . . . . . . . . 4593 1 307 . 1 1 30 30 SER HB2 H 1 3.947 0.02 . 2 . . . . . . . . 4593 1 308 . 1 1 30 30 SER HB3 H 1 4.011 0.02 . 2 . . . . . . . . 4593 1 309 . 1 1 30 30 SER CA C 13 60.50 0.2 . 1 . . . . . . . . 4593 1 310 . 1 1 30 30 SER CB C 13 62.74 0.2 . 1 . . . . . . . . 4593 1 311 . 1 1 30 30 SER N N 15 110.72 0.1 . 1 . . . . . . . . 4593 1 312 . 1 1 31 31 ALA H H 1 7.992 0.02 . 1 . . . . . . . . 4593 1 313 . 1 1 31 31 ALA HA H 1 4.523 0.02 . 1 . . . . . . . . 4593 1 314 . 1 1 31 31 ALA HB1 H 1 1.520 0.02 . 1 . . . . . . . . 4593 1 315 . 1 1 31 31 ALA HB2 H 1 1.520 0.02 . 1 . . . . . . . . 4593 1 316 . 1 1 31 31 ALA HB3 H 1 1.520 0.02 . 1 . . . . . . . . 4593 1 317 . 1 1 31 31 ALA CA C 13 52.04 0.2 . 1 . . . . . . . . 4593 1 318 . 1 1 31 31 ALA CB C 13 20.75 0.2 . 1 . . . . . . . . 4593 1 319 . 1 1 31 31 ALA N N 15 123.15 0.1 . 1 . . . . . . . . 4593 1 320 . 1 1 32 32 ARG H H 1 7.243 0.02 . 1 . . . . . . . . 4593 1 321 . 1 1 32 32 ARG HA H 1 3.685 0.02 . 1 . . . . . . . . 4593 1 322 . 1 1 32 32 ARG HB2 H 1 1.680 0.02 . 2 . . . . . . . . 4593 1 323 . 1 1 32 32 ARG HB3 H 1 1.856 0.02 . 2 . . . . . . . . 4593 1 324 . 1 1 32 32 ARG HG2 H 1 1.234 0.02 . 2 . . . . . . . . 4593 1 325 . 1 1 32 32 ARG HG3 H 1 2.013 0.02 . 2 . . . . . . . . 4593 1 326 . 1 1 32 32 ARG HD2 H 1 3.065 0.02 . 2 . . . . . . . . 4593 1 327 . 1 1 32 32 ARG HD3 H 1 3.256 0.02 . 2 . . . . . . . . 4593 1 328 . 1 1 32 32 ARG HE H 1 7.037 0.02 . 1 . . . . . . . . 4593 1 329 . 1 1 32 32 ARG CA C 13 60.880 0.2 . 1 . . . . . . . . 4593 1 330 . 1 1 32 32 ARG CB C 13 30.790 0.2 . 1 . . . . . . . . 4593 1 331 . 1 1 32 32 ARG CG C 13 28.510 0.2 . 1 . . . . . . . . 4593 1 332 . 1 1 32 32 ARG CD C 13 44.330 0.2 . 1 . . . . . . . . 4593 1 333 . 1 1 32 32 ARG N N 15 117.08 0.1 . 1 . . . . . . . . 4593 1 334 . 1 1 32 32 ARG NE N 15 83.09 0.1 . 1 . . . . . . . . 4593 1 335 . 1 1 33 33 ALA H H 1 8.781 0.02 . 1 . . . . . . . . 4593 1 336 . 1 1 33 33 ALA HA H 1 4.146 0.02 . 1 . . . . . . . . 4593 1 337 . 1 1 33 33 ALA HB1 H 1 1.538 0.02 . 1 . . . . . . . . 4593 1 338 . 1 1 33 33 ALA HB2 H 1 1.538 0.02 . 1 . . . . . . . . 4593 1 339 . 1 1 33 33 ALA HB3 H 1 1.538 0.02 . 1 . . . . . . . . 4593 1 340 . 1 1 33 33 ALA CA C 13 57.26 0.2 . 1 . . . . . . . . 4593 1 341 . 1 1 33 33 ALA CB C 13 15.74 0.2 . 1 . . . . . . . . 4593 1 342 . 1 1 33 33 ALA N N 15 119.75 0.1 . 1 . . . . . . . . 4593 1 343 . 1 1 34 34 PRO HA H 1 4.214 0.02 . 1 . . . . . . . . 4593 1 344 . 1 1 34 34 PRO HB2 H 1 1.896 0.02 . 2 . . . . . . . . 4593 1 345 . 1 1 34 34 PRO HB3 H 1 2.318 0.02 . 2 . . . . . . . . 4593 1 346 . 1 1 34 34 PRO HG2 H 1 2.025 0.02 . 2 . . . . . . . . 4593 1 347 . 1 1 34 34 PRO HG3 H 1 2.190 0.02 . 2 . . . . . . . . 4593 1 348 . 1 1 34 34 PRO HD2 H 1 3.587 0.02 . 2 . . . . . . . . 4593 1 349 . 1 1 34 34 PRO HD3 H 1 3.655 0.02 . 2 . . . . . . . . 4593 1 350 . 1 1 34 34 PRO CA C 13 66.16 0.2 . 1 . . . . . . . . 4593 1 351 . 1 1 34 34 PRO CB C 13 31.07 0.2 . 1 . . . . . . . . 4593 1 352 . 1 1 34 34 PRO CG C 13 28.15 0.2 . 1 . . . . . . . . 4593 1 353 . 1 1 34 34 PRO CD C 13 49.96 0.2 . 1 . . . . . . . . 4593 1 354 . 1 1 35 35 VAL H H 1 7.128 0.02 . 1 . . . . . . . . 4593 1 355 . 1 1 35 35 VAL HA H 1 3.810 0.02 . 1 . . . . . . . . 4593 1 356 . 1 1 35 35 VAL HB H 1 2.176 0.02 . 1 . . . . . . . . 4593 1 357 . 1 1 35 35 VAL HG11 H 1 1.118 0.02 . 2 . . . . . . . . 4593 1 358 . 1 1 35 35 VAL HG12 H 1 1.118 0.02 . 2 . . . . . . . . 4593 1 359 . 1 1 35 35 VAL HG13 H 1 1.118 0.02 . 2 . . . . . . . . 4593 1 360 . 1 1 35 35 VAL HG21 H 1 0.889 0.02 . 2 . . . . . . . . 4593 1 361 . 1 1 35 35 VAL HG22 H 1 0.889 0.02 . 2 . . . . . . . . 4593 1 362 . 1 1 35 35 VAL HG23 H 1 0.889 0.02 . 2 . . . . . . . . 4593 1 363 . 1 1 35 35 VAL CA C 13 66.39 0.2 . 1 . . . . . . . . 4593 1 364 . 1 1 35 35 VAL CB C 13 31.92 0.2 . 1 . . . . . . . . 4593 1 365 . 1 1 35 35 VAL CG1 C 13 23.50 0.2 . 2 . . . . . . . . 4593 1 366 . 1 1 35 35 VAL CG2 C 13 21.43 0.2 . 2 . . . . . . . . 4593 1 367 . 1 1 35 35 VAL N N 15 118.02 0.1 . 1 . . . . . . . . 4593 1 368 . 1 1 36 36 ILE H H 1 8.159 0.02 . 1 . . . . . . . . 4593 1 369 . 1 1 36 36 ILE HA H 1 3.145 0.02 . 1 . . . . . . . . 4593 1 370 . 1 1 36 36 ILE HB H 1 1.790 0.02 . 1 . . . . . . . . 4593 1 371 . 1 1 36 36 ILE HG12 H 1 0.495 0.02 . 2 . . . . . . . . 4593 1 372 . 1 1 36 36 ILE HG13 H 1 1.789 0.02 . 2 . . . . . . . . 4593 1 373 . 1 1 36 36 ILE HG21 H 1 0.269 0.02 . 1 . . . . . . . . 4593 1 374 . 1 1 36 36 ILE HG22 H 1 0.269 0.02 . 1 . . . . . . . . 4593 1 375 . 1 1 36 36 ILE HG23 H 1 0.269 0.02 . 1 . . . . . . . . 4593 1 376 . 1 1 36 36 ILE HD11 H 1 0.791 0.02 . 1 . . . . . . . . 4593 1 377 . 1 1 36 36 ILE HD12 H 1 0.791 0.02 . 1 . . . . . . . . 4593 1 378 . 1 1 36 36 ILE HD13 H 1 0.791 0.02 . 1 . . . . . . . . 4593 1 379 . 1 1 36 36 ILE CA C 13 66.06 0.2 . 1 . . . . . . . . 4593 1 380 . 1 1 36 36 ILE CB C 13 38.24 0.2 . 1 . . . . . . . . 4593 1 381 . 1 1 36 36 ILE CG1 C 13 30.66 0.2 . 1 . . . . . . . . 4593 1 382 . 1 1 36 36 ILE CG2 C 13 18.50 0.2 . 1 . . . . . . . . 4593 1 383 . 1 1 36 36 ILE CD1 C 13 14.59 0.2 . 1 . . . . . . . . 4593 1 384 . 1 1 36 36 ILE N N 15 121.93 0.1 . 1 . . . . . . . . 4593 1 385 . 1 1 37 37 ILE H H 1 8.348 0.02 . 1 . . . . . . . . 4593 1 386 . 1 1 37 37 ILE HA H 1 3.479 0.02 . 1 . . . . . . . . 4593 1 387 . 1 1 37 37 ILE HB H 1 1.849 0.02 . 1 . . . . . . . . 4593 1 388 . 1 1 37 37 ILE HG12 H 1 0.992 0.02 . 2 . . . . . . . . 4593 1 389 . 1 1 37 37 ILE HG13 H 1 1.641 0.02 . 2 . . . . . . . . 4593 1 390 . 1 1 37 37 ILE HG21 H 1 0.935 0.02 . 1 . . . . . . . . 4593 1 391 . 1 1 37 37 ILE HG22 H 1 0.935 0.02 . 1 . . . . . . . . 4593 1 392 . 1 1 37 37 ILE HG23 H 1 0.935 0.02 . 1 . . . . . . . . 4593 1 393 . 1 1 37 37 ILE HD11 H 1 0.650 0.02 . 1 . . . . . . . . 4593 1 394 . 1 1 37 37 ILE HD12 H 1 0.650 0.02 . 1 . . . . . . . . 4593 1 395 . 1 1 37 37 ILE HD13 H 1 0.650 0.02 . 1 . . . . . . . . 4593 1 396 . 1 1 37 37 ILE CA C 13 65.78 0.2 . 1 . . . . . . . . 4593 1 397 . 1 1 37 37 ILE CB C 13 37.45 0.2 . 1 . . . . . . . . 4593 1 398 . 1 1 37 37 ILE CG1 C 13 29.76 0.2 . 1 . . . . . . . . 4593 1 399 . 1 1 37 37 ILE CG2 C 13 17.38 0.2 . 1 . . . . . . . . 4593 1 400 . 1 1 37 37 ILE CD1 C 13 12.89 0.2 . 1 . . . . . . . . 4593 1 401 . 1 1 37 37 ILE N N 15 117.76 0.1 . 1 . . . . . . . . 4593 1 402 . 1 1 38 38 ASP H H 1 8.122 0.02 . 1 . . . . . . . . 4593 1 403 . 1 1 38 38 ASP HA H 1 4.491 0.02 . 1 . . . . . . . . 4593 1 404 . 1 1 38 38 ASP HB2 H 1 2.851 0.02 . 2 . . . . . . . . 4593 1 405 . 1 1 38 38 ASP HB3 H 1 2.718 0.02 . 2 . . . . . . . . 4593 1 406 . 1 1 38 38 ASP CA C 13 58.08 0.2 . 1 . . . . . . . . 4593 1 407 . 1 1 38 38 ASP CB C 13 41.42 0.2 . 1 . . . . . . . . 4593 1 408 . 1 1 38 38 ASP N N 15 119.84 0.1 . 1 . . . . . . . . 4593 1 409 . 1 1 39 39 CYS H H 1 8.149 0.02 . 1 . . . . . . . . 4593 1 410 . 1 1 39 39 CYS HA H 1 4.242 0.02 . 1 . . . . . . . . 4593 1 411 . 1 1 39 39 CYS HB2 H 1 2.577 0.02 . 2 . . . . . . . . 4593 1 412 . 1 1 39 39 CYS HB3 H 1 3.140 0.02 . 2 . . . . . . . . 4593 1 413 . 1 1 39 39 CYS CA C 13 64.18 0.2 . 1 . . . . . . . . 4593 1 414 . 1 1 39 39 CYS CB C 13 27.61 0.2 . 1 . . . . . . . . 4593 1 415 . 1 1 39 39 CYS N N 15 117.70 0.1 . 1 . . . . . . . . 4593 1 416 . 1 1 40 40 PHE H H 1 8.691 0.02 . 1 . . . . . . . . 4593 1 417 . 1 1 40 40 PHE HA H 1 4.760 0.02 . 1 . . . . . . . . 4593 1 418 . 1 1 40 40 PHE HB2 H 1 3.256 0.02 . 2 . . . . . . . . 4593 1 419 . 1 1 40 40 PHE HB3 H 1 3.690 0.02 . 2 . . . . . . . . 4593 1 420 . 1 1 40 40 PHE HD1 H 1 7.137 0.02 . 1 . . . . . . . . 4593 1 421 . 1 1 40 40 PHE HD2 H 1 7.137 0.02 . 1 . . . . . . . . 4593 1 422 . 1 1 40 40 PHE HE1 H 1 6.941 0.02 . 1 . . . . . . . . 4593 1 423 . 1 1 40 40 PHE HE2 H 1 6.941 0.02 . 1 . . . . . . . . 4593 1 424 . 1 1 40 40 PHE HZ H 1 6.850 0.02 . 1 . . . . . . . . 4593 1 425 . 1 1 40 40 PHE CA C 13 59.95 0.2 . 1 . . . . . . . . 4593 1 426 . 1 1 40 40 PHE CB C 13 37.88 0.2 . 1 . . . . . . . . 4593 1 427 . 1 1 40 40 PHE N N 15 119.24 0.1 . 1 . . . . . . . . 4593 1 428 . 1 1 41 41 ARG H H 1 8.481 0.02 . 1 . . . . . . . . 4593 1 429 . 1 1 41 41 ARG HA H 1 4.065 0.02 . 1 . . . . . . . . 4593 1 430 . 1 1 41 41 ARG HB2 H 1 1.977 0.02 . 2 . . . . . . . . 4593 1 431 . 1 1 41 41 ARG HB3 H 1 2.124 0.02 . 2 . . . . . . . . 4593 1 432 . 1 1 41 41 ARG HG2 H 1 1.613 0.02 . 2 . . . . . . . . 4593 1 433 . 1 1 41 41 ARG HG3 H 1 1.985 0.02 . 2 . . . . . . . . 4593 1 434 . 1 1 41 41 ARG HD2 H 1 3.255 0.02 . 1 . . . . . . . . 4593 1 435 . 1 1 41 41 ARG HD3 H 1 3.255 0.02 . 1 . . . . . . . . 4593 1 436 . 1 1 41 41 ARG HE H 1 7.142 0.02 . 1 . . . . . . . . 4593 1 437 . 1 1 41 41 ARG CA C 13 60.160 0.2 . 1 . . . . . . . . 4593 1 438 . 1 1 41 41 ARG CB C 13 31.560 0.2 . 1 . . . . . . . . 4593 1 439 . 1 1 41 41 ARG CG C 13 29.270 0.2 . 1 . . . . . . . . 4593 1 440 . 1 1 41 41 ARG CD C 13 43.71 0.2 . 1 . . . . . . . . 4593 1 441 . 1 1 41 41 ARG N N 15 115.93 0.1 . 1 . . . . . . . . 4593 1 442 . 1 1 41 41 ARG NE N 15 84.03 0.1 . 1 . . . . . . . . 4593 1 443 . 1 1 42 42 GLN H H 1 8.237 0.02 . 1 . . . . . . . . 4593 1 444 . 1 1 42 42 GLN HA H 1 4.648 0.02 . 1 . . . . . . . . 4593 1 445 . 1 1 42 42 GLN HB2 H 1 2.112 0.02 . 2 . . . . . . . . 4593 1 446 . 1 1 42 42 GLN HB3 H 1 2.273 0.02 . 2 . . . . . . . . 4593 1 447 . 1 1 42 42 GLN HG2 H 1 2.387 0.02 . 2 . . . . . . . . 4593 1 448 . 1 1 42 42 GLN HG3 H 1 2.577 0.02 . 2 . . . . . . . . 4593 1 449 . 1 1 42 42 GLN HE21 H 1 6.786 0.02 . 2 . . . . . . . . 4593 1 450 . 1 1 42 42 GLN HE22 H 1 7.815 0.02 . 2 . . . . . . . . 4593 1 451 . 1 1 42 42 GLN CA C 13 57.090 0.2 . 1 . . . . . . . . 4593 1 452 . 1 1 42 42 GLN CB C 13 31.870 0.2 . 1 . . . . . . . . 4593 1 453 . 1 1 42 42 GLN CG C 13 34.120 0.2 . 1 . . . . . . . . 4593 1 454 . 1 1 42 42 GLN N N 15 111.63 0.1 . 1 . . . . . . . . 4593 1 455 . 1 1 42 42 GLN NE2 N 15 112.54 0.1 . 1 . . . . . . . . 4593 1 456 . 1 1 43 43 LYS H H 1 8.852 0.02 . 1 . . . . . . . . 4593 1 457 . 1 1 43 43 LYS HA H 1 4.881 0.02 . 1 . . . . . . . . 4593 1 458 . 1 1 43 43 LYS HB2 H 1 2.315 0.02 . 2 . . . . . . . . 4593 1 459 . 1 1 43 43 LYS HB3 H 1 2.597 0.02 . 2 . . . . . . . . 4593 1 460 . 1 1 43 43 LYS HG2 H 1 1.506 0.02 . 2 . . . . . . . . 4593 1 461 . 1 1 43 43 LYS HG3 H 1 1.670 0.02 . 2 . . . . . . . . 4593 1 462 . 1 1 43 43 LYS HD2 H 1 1.807 0.02 . 2 . . . . . . . . 4593 1 463 . 1 1 43 43 LYS HD3 H 1 1.863 0.02 . 2 . . . . . . . . 4593 1 464 . 1 1 43 43 LYS HE2 H 1 3.048 0.02 . 2 . . . . . . . . 4593 1 465 . 1 1 43 43 LYS HE3 H 1 3.117 0.02 . 2 . . . . . . . . 4593 1 466 . 1 1 43 43 LYS CA C 13 55.12 0.2 . 1 . . . . . . . . 4593 1 467 . 1 1 43 43 LYS CB C 13 33.06 0.2 . 1 . . . . . . . . 4593 1 468 . 1 1 43 43 LYS CG C 13 25.62 0.2 . 1 . . . . . . . . 4593 1 469 . 1 1 43 43 LYS CD C 13 28.74 0.2 . 1 . . . . . . . . 4593 1 470 . 1 1 43 43 LYS CE C 13 42.88 0.2 . 1 . . . . . . . . 4593 1 471 . 1 1 43 43 LYS N N 15 116.31 0.1 . 1 . . . . . . . . 4593 1 472 . 1 1 44 44 SER H H 1 7.016 0.02 . 1 . . . . . . . . 4593 1 473 . 1 1 44 44 SER HA H 1 4.500 0.02 . 1 . . . . . . . . 4593 1 474 . 1 1 44 44 SER HB2 H 1 4.222 0.02 . 2 . . . . . . . . 4593 1 475 . 1 1 44 44 SER HB3 H 1 4.124 0.02 . 2 . . . . . . . . 4593 1 476 . 1 1 44 44 SER CA C 13 57.74 0.2 . 1 . . . . . . . . 4593 1 477 . 1 1 44 44 SER CB C 13 65.16 0.2 . 1 . . . . . . . . 4593 1 478 . 1 1 44 44 SER N N 15 112.97 0.1 . 1 . . . . . . . . 4593 1 479 . 1 1 45 45 GLN H H 1 8.556 0.02 . 1 . . . . . . . . 4593 1 480 . 1 1 45 45 GLN HA H 1 4.248 0.02 . 1 . . . . . . . . 4593 1 481 . 1 1 45 45 GLN HB2 H 1 1.809 0.02 . 2 . . . . . . . . 4593 1 482 . 1 1 45 45 GLN HB3 H 1 2.451 0.02 . 2 . . . . . . . . 4593 1 483 . 1 1 45 45 GLN HG2 H 1 2.422 0.02 . 2 . . . . . . . . 4593 1 484 . 1 1 45 45 GLN HG3 H 1 1.901 0.02 . 2 . . . . . . . . 4593 1 485 . 1 1 45 45 GLN HE21 H 1 7.072 0.02 . 2 . . . . . . . . 4593 1 486 . 1 1 45 45 GLN HE22 H 1 7.378 0.02 . 2 . . . . . . . . 4593 1 487 . 1 1 45 45 GLN CA C 13 55.540 0.2 . 1 . . . . . . . . 4593 1 488 . 1 1 45 45 GLN CB C 13 28.290 0.2 . 1 . . . . . . . . 4593 1 489 . 1 1 45 45 GLN CG C 13 34.540 0.2 . 1 . . . . . . . . 4593 1 490 . 1 1 45 45 GLN N N 15 121.18 0.1 . 1 . . . . . . . . 4593 1 491 . 1 1 45 45 GLN NE2 N 15 114.43 0.1 . 1 . . . . . . . . 4593 1 492 . 1 1 46 46 PRO HA H 1 4.117 0.02 . 1 . . . . . . . . 4593 1 493 . 1 1 46 46 PRO HB2 H 1 2.031 0.02 . 2 . . . . . . . . 4593 1 494 . 1 1 46 46 PRO HB3 H 1 2.408 0.02 . 2 . . . . . . . . 4593 1 495 . 1 1 46 46 PRO HG2 H 1 2.212 0.02 . 1 . . . . . . . . 4593 1 496 . 1 1 46 46 PRO HG3 H 1 2.212 0.02 . 1 . . . . . . . . 4593 1 497 . 1 1 46 46 PRO HD2 H 1 3.794 0.02 . 1 . . . . . . . . 4593 1 498 . 1 1 46 46 PRO HD3 H 1 3.794 0.02 . 1 . . . . . . . . 4593 1 499 . 1 1 46 46 PRO CA C 13 66.85 0.2 . 1 . . . . . . . . 4593 1 500 . 1 1 46 46 PRO CB C 13 32.38 0.2 . 1 . . . . . . . . 4593 1 501 . 1 1 46 46 PRO CG C 13 28.01 0.2 . 1 . . . . . . . . 4593 1 502 . 1 1 46 46 PRO CD C 13 50.37 0.2 . 1 . . . . . . . . 4593 1 503 . 1 1 47 47 ASP H H 1 9.048 0.02 . 1 . . . . . . . . 4593 1 504 . 1 1 47 47 ASP HA H 1 4.331 0.02 . 1 . . . . . . . . 4593 1 505 . 1 1 47 47 ASP HB2 H 1 2.719 0.02 . 2 . . . . . . . . 4593 1 506 . 1 1 47 47 ASP HB3 H 1 2.579 0.02 . 2 . . . . . . . . 4593 1 507 . 1 1 47 47 ASP CA C 13 56.79 0.2 . 1 . . . . . . . . 4593 1 508 . 1 1 47 47 ASP CB C 13 38.92 0.2 . 1 . . . . . . . . 4593 1 509 . 1 1 47 47 ASP N N 15 115.78 0.1 . 1 . . . . . . . . 4593 1 510 . 1 1 48 48 ILE H H 1 7.430 0.02 . 1 . . . . . . . . 4593 1 511 . 1 1 48 48 ILE HA H 1 3.741 0.02 . 1 . . . . . . . . 4593 1 512 . 1 1 48 48 ILE HB H 1 2.422 0.02 . 1 . . . . . . . . 4593 1 513 . 1 1 48 48 ILE HG12 H 1 1.721 0.02 . 2 . . . . . . . . 4593 1 514 . 1 1 48 48 ILE HG13 H 1 1.560 0.02 . 2 . . . . . . . . 4593 1 515 . 1 1 48 48 ILE HG21 H 1 0.731 0.02 . 1 . . . . . . . . 4593 1 516 . 1 1 48 48 ILE HG22 H 1 0.731 0.02 . 1 . . . . . . . . 4593 1 517 . 1 1 48 48 ILE HG23 H 1 0.731 0.02 . 1 . . . . . . . . 4593 1 518 . 1 1 48 48 ILE HD11 H 1 0.652 0.02 . 1 . . . . . . . . 4593 1 519 . 1 1 48 48 ILE HD12 H 1 0.652 0.02 . 1 . . . . . . . . 4593 1 520 . 1 1 48 48 ILE HD13 H 1 0.652 0.02 . 1 . . . . . . . . 4593 1 521 . 1 1 48 48 ILE CA C 13 61.97 0.2 . 1 . . . . . . . . 4593 1 522 . 1 1 48 48 ILE CB C 13 35.38 0.2 . 1 . . . . . . . . 4593 1 523 . 1 1 48 48 ILE CG1 C 13 27.45 0.2 . 1 . . . . . . . . 4593 1 524 . 1 1 48 48 ILE CG2 C 13 18.15 0.2 . 1 . . . . . . . . 4593 1 525 . 1 1 48 48 ILE CD1 C 13 9.75 0.2 . 1 . . . . . . . . 4593 1 526 . 1 1 48 48 ILE N N 15 122.69 0.1 . 1 . . . . . . . . 4593 1 527 . 1 1 49 49 GLN H H 1 8.403 0.02 . 1 . . . . . . . . 4593 1 528 . 1 1 49 49 GLN HA H 1 3.755 0.02 . 1 . . . . . . . . 4593 1 529 . 1 1 49 49 GLN HB2 H 1 2.162 0.02 . 1 . . . . . . . . 4593 1 530 . 1 1 49 49 GLN HB3 H 1 2.162 0.02 . 1 . . . . . . . . 4593 1 531 . 1 1 49 49 GLN HG2 H 1 2.266 0.02 . 2 . . . . . . . . 4593 1 532 . 1 1 49 49 GLN HG3 H 1 2.422 0.02 . 2 . . . . . . . . 4593 1 533 . 1 1 49 49 GLN HE21 H 1 6.544 0.02 . 2 . . . . . . . . 4593 1 534 . 1 1 49 49 GLN HE22 H 1 7.658 0.02 . 2 . . . . . . . . 4593 1 535 . 1 1 49 49 GLN CA C 13 60.510 0.2 . 1 . . . . . . . . 4593 1 536 . 1 1 49 49 GLN CB C 13 29.000 0.2 . 1 . . . . . . . . 4593 1 537 . 1 1 49 49 GLN CG C 13 34.330 0.2 . 1 . . . . . . . . 4593 1 538 . 1 1 49 49 GLN N N 15 120.73 0.1 . 1 . . . . . . . . 4593 1 539 . 1 1 49 49 GLN NE2 N 15 110.81 0.1 . 1 . . . . . . . . 4593 1 540 . 1 1 50 50 GLN H H 1 7.788 0.02 . 1 . . . . . . . . 4593 1 541 . 1 1 50 50 GLN HA H 1 4.040 0.02 . 1 . . . . . . . . 4593 1 542 . 1 1 50 50 GLN HB2 H 1 2.141 0.02 . 1 . . . . . . . . 4593 1 543 . 1 1 50 50 GLN HB3 H 1 2.141 0.02 . 1 . . . . . . . . 4593 1 544 . 1 1 50 50 GLN HG2 H 1 2.467 0.02 . 1 . . . . . . . . 4593 1 545 . 1 1 50 50 GLN HG3 H 1 2.467 0.02 . 1 . . . . . . . . 4593 1 546 . 1 1 50 50 GLN HE21 H 1 6.860 0.02 . 2 . . . . . . . . 4593 1 547 . 1 1 50 50 GLN HE22 H 1 7.436 0.02 . 2 . . . . . . . . 4593 1 548 . 1 1 50 50 GLN CA C 13 58.88 0.2 . 1 . . . . . . . . 4593 1 549 . 1 1 50 50 GLN CB C 13 28.19 0.2 . 1 . . . . . . . . 4593 1 550 . 1 1 50 50 GLN CG C 13 33.42 0.2 . 1 . . . . . . . . 4593 1 551 . 1 1 50 50 GLN N N 15 116.27 0.1 . 1 . . . . . . . . 4593 1 552 . 1 1 50 50 GLN NE2 N 15 111.81 0.1 . 1 . . . . . . . . 4593 1 553 . 1 1 51 51 LEU H H 1 7.455 0.02 . 1 . . . . . . . . 4593 1 554 . 1 1 51 51 LEU HA H 1 4.180 0.02 . 1 . . . . . . . . 4593 1 555 . 1 1 51 51 LEU HB2 H 1 2.040 0.02 . 2 . . . . . . . . 4593 1 556 . 1 1 51 51 LEU HB3 H 1 1.537 0.02 . 2 . . . . . . . . 4593 1 557 . 1 1 51 51 LEU HG H 1 1.834 0.02 . 1 . . . . . . . . 4593 1 558 . 1 1 51 51 LEU HD11 H 1 0.855 0.02 . 2 . . . . . . . . 4593 1 559 . 1 1 51 51 LEU HD12 H 1 0.855 0.02 . 2 . . . . . . . . 4593 1 560 . 1 1 51 51 LEU HD13 H 1 0.855 0.02 . 2 . . . . . . . . 4593 1 561 . 1 1 51 51 LEU HD21 H 1 0.841 0.02 . 2 . . . . . . . . 4593 1 562 . 1 1 51 51 LEU HD22 H 1 0.841 0.02 . 2 . . . . . . . . 4593 1 563 . 1 1 51 51 LEU HD23 H 1 0.841 0.02 . 2 . . . . . . . . 4593 1 564 . 1 1 51 51 LEU CA C 13 57.72 0.2 . 1 . . . . . . . . 4593 1 565 . 1 1 51 51 LEU CB C 13 42.88 0.2 . 1 . . . . . . . . 4593 1 566 . 1 1 51 51 LEU CG C 13 26.88 0.2 . 1 . . . . . . . . 4593 1 567 . 1 1 51 51 LEU CD1 C 13 25.56 0.2 . 2 . . . . . . . . 4593 1 568 . 1 1 51 51 LEU CD2 C 13 24.79 0.2 . 2 . . . . . . . . 4593 1 569 . 1 1 51 51 LEU N N 15 120.30 0.1 . 1 . . . . . . . . 4593 1 570 . 1 1 52 52 ILE H H 1 8.584 0.02 . 1 . . . . . . . . 4593 1 571 . 1 1 52 52 ILE HA H 1 3.544 0.02 . 1 . . . . . . . . 4593 1 572 . 1 1 52 52 ILE HB H 1 1.900 0.02 . 1 . . . . . . . . 4593 1 573 . 1 1 52 52 ILE HG12 H 1 0.773 0.02 . 2 . . . . . . . . 4593 1 574 . 1 1 52 52 ILE HG13 H 1 1.687 0.02 . 2 . . . . . . . . 4593 1 575 . 1 1 52 52 ILE HG21 H 1 0.897 0.02 . 1 . . . . . . . . 4593 1 576 . 1 1 52 52 ILE HG22 H 1 0.897 0.02 . 1 . . . . . . . . 4593 1 577 . 1 1 52 52 ILE HG23 H 1 0.897 0.02 . 1 . . . . . . . . 4593 1 578 . 1 1 52 52 ILE HD11 H 1 0.639 0.02 . 1 . . . . . . . . 4593 1 579 . 1 1 52 52 ILE HD12 H 1 0.639 0.02 . 1 . . . . . . . . 4593 1 580 . 1 1 52 52 ILE HD13 H 1 0.639 0.02 . 1 . . . . . . . . 4593 1 581 . 1 1 52 52 ILE CA C 13 65.58 0.2 . 1 . . . . . . . . 4593 1 582 . 1 1 52 52 ILE CB C 13 37.87 0.2 . 1 . . . . . . . . 4593 1 583 . 1 1 52 52 ILE CG1 C 13 29.99 0.2 . 1 . . . . . . . . 4593 1 584 . 1 1 52 52 ILE CG2 C 13 17.82 0.2 . 1 . . . . . . . . 4593 1 585 . 1 1 52 52 ILE CD1 C 13 14.46 0.2 . 1 . . . . . . . . 4593 1 586 . 1 1 52 52 ILE N N 15 119.66 0.1 . 1 . . . . . . . . 4593 1 587 . 1 1 53 53 ARG H H 1 8.135 0.02 . 1 . . . . . . . . 4593 1 588 . 1 1 53 53 ARG HA H 1 4.166 0.02 . 1 . . . . . . . . 4593 1 589 . 1 1 53 53 ARG HB2 H 1 2.008 0.02 . 1 . . . . . . . . 4593 1 590 . 1 1 53 53 ARG HB3 H 1 2.008 0.02 . 1 . . . . . . . . 4593 1 591 . 1 1 53 53 ARG HG2 H 1 1.743 0.02 . 2 . . . . . . . . 4593 1 592 . 1 1 53 53 ARG HG3 H 1 1.883 0.02 . 2 . . . . . . . . 4593 1 593 . 1 1 53 53 ARG HD2 H 1 3.256 0.02 . 1 . . . . . . . . 4593 1 594 . 1 1 53 53 ARG HD3 H 1 3.256 0.02 . 1 . . . . . . . . 4593 1 595 . 1 1 53 53 ARG HE H 1 7.259 0.02 . 1 . . . . . . . . 4593 1 596 . 1 1 53 53 ARG CA C 13 59.290 0.2 . 1 . . . . . . . . 4593 1 597 . 1 1 53 53 ARG CB C 13 30.610 0.2 . 1 . . . . . . . . 4593 1 598 . 1 1 53 53 ARG CG C 13 28.420 0.2 . 1 . . . . . . . . 4593 1 599 . 1 1 53 53 ARG CD C 13 43.710 0.2 . 1 . . . . . . . . 4593 1 600 . 1 1 53 53 ARG N N 15 119.40 0.1 . 1 . . . . . . . . 4593 1 601 . 1 1 53 53 ARG NE N 15 84.34 0.1 . 1 . . . . . . . . 4593 1 602 . 1 1 54 54 THR H H 1 7.357 0.02 . 1 . . . . . . . . 4593 1 603 . 1 1 54 54 THR HA H 1 4.460 0.02 . 1 . . . . . . . . 4593 1 604 . 1 1 54 54 THR HB H 1 4.606 0.02 . 1 . . . . . . . . 4593 1 605 . 1 1 54 54 THR HG21 H 1 1.332 0.02 . 1 . . . . . . . . 4593 1 606 . 1 1 54 54 THR HG22 H 1 1.332 0.02 . 1 . . . . . . . . 4593 1 607 . 1 1 54 54 THR HG23 H 1 1.332 0.02 . 1 . . . . . . . . 4593 1 608 . 1 1 54 54 THR CA C 13 61.21 0.2 . 1 . . . . . . . . 4593 1 609 . 1 1 54 54 THR CB C 13 70.09 0.2 . 1 . . . . . . . . 4593 1 610 . 1 1 54 54 THR CG2 C 13 21.70 0.2 . 1 . . . . . . . . 4593 1 611 . 1 1 54 54 THR N N 15 106.14 0.1 . 1 . . . . . . . . 4593 1 612 . 1 1 55 55 ALA H H 1 7.276 0.02 . 1 . . . . . . . . 4593 1 613 . 1 1 55 55 ALA HA H 1 4.021 0.02 . 1 . . . . . . . . 4593 1 614 . 1 1 55 55 ALA HB1 H 1 0.907 0.02 . 1 . . . . . . . . 4593 1 615 . 1 1 55 55 ALA HB2 H 1 0.907 0.02 . 1 . . . . . . . . 4593 1 616 . 1 1 55 55 ALA HB3 H 1 0.907 0.02 . 1 . . . . . . . . 4593 1 617 . 1 1 55 55 ALA CA C 13 51.00 0.2 . 1 . . . . . . . . 4593 1 618 . 1 1 55 55 ALA CB C 13 17.22 0.2 . 1 . . . . . . . . 4593 1 619 . 1 1 55 55 ALA N N 15 126.72 0.1 . 1 . . . . . . . . 4593 1 620 . 1 1 56 56 PRO HA H 1 4.452 0.02 . 1 . . . . . . . . 4593 1 621 . 1 1 56 56 PRO HB2 H 1 1.905 0.02 . 2 . . . . . . . . 4593 1 622 . 1 1 56 56 PRO HB3 H 1 2.338 0.02 . 2 . . . . . . . . 4593 1 623 . 1 1 56 56 PRO HG2 H 1 2.040 0.02 . 2 . . . . . . . . 4593 1 624 . 1 1 56 56 PRO HG3 H 1 2.094 0.02 . 2 . . . . . . . . 4593 1 625 . 1 1 56 56 PRO HD2 H 1 3.134 0.02 . 2 . . . . . . . . 4593 1 626 . 1 1 56 56 PRO HD3 H 1 3.748 0.02 . 2 . . . . . . . . 4593 1 627 . 1 1 56 56 PRO CA C 13 63.23 0.2 . 1 . . . . . . . . 4593 1 628 . 1 1 56 56 PRO CB C 13 32.46 0.2 . 1 . . . . . . . . 4593 1 629 . 1 1 56 56 PRO CG C 13 27.41 0.2 . 1 . . . . . . . . 4593 1 630 . 1 1 56 56 PRO CD C 13 50.38 0.2 . 1 . . . . . . . . 4593 1 631 . 1 1 57 57 SER H H 1 8.533 0.02 . 1 . . . . . . . . 4593 1 632 . 1 1 57 57 SER HA H 1 4.281 0.02 . 1 . . . . . . . . 4593 1 633 . 1 1 57 57 SER HB2 H 1 3.920 0.02 . 1 . . . . . . . . 4593 1 634 . 1 1 57 57 SER HB3 H 1 3.920 0.02 . 1 . . . . . . . . 4593 1 635 . 1 1 57 57 SER CA C 13 59.55 0.2 . 1 . . . . . . . . 4593 1 636 . 1 1 57 57 SER CB C 13 63.47 0.2 . 1 . . . . . . . . 4593 1 637 . 1 1 57 57 SER N N 15 117.21 0.1 . 1 . . . . . . . . 4593 1 638 . 1 1 58 58 THR H H 1 7.268 0.02 . 1 . . . . . . . . 4593 1 639 . 1 1 58 58 THR HA H 1 4.048 0.02 . 1 . . . . . . . . 4593 1 640 . 1 1 58 58 THR HB H 1 4.314 0.02 . 1 . . . . . . . . 4593 1 641 . 1 1 58 58 THR HG21 H 1 1.200 0.02 . 1 . . . . . . . . 4593 1 642 . 1 1 58 58 THR HG22 H 1 1.200 0.02 . 1 . . . . . . . . 4593 1 643 . 1 1 58 58 THR HG23 H 1 1.200 0.02 . 1 . . . . . . . . 4593 1 644 . 1 1 58 58 THR CA C 13 62.24 0.2 . 1 . . . . . . . . 4593 1 645 . 1 1 58 58 THR CB C 13 68.57 0.2 . 1 . . . . . . . . 4593 1 646 . 1 1 58 58 THR CG2 C 13 22.67 0.2 . 1 . . . . . . . . 4593 1 647 . 1 1 58 58 THR N N 15 109.64 0.1 . 1 . . . . . . . . 4593 1 648 . 1 1 59 59 LEU H H 1 7.435 0.02 . 1 . . . . . . . . 4593 1 649 . 1 1 59 59 LEU HA H 1 4.556 0.02 . 1 . . . . . . . . 4593 1 650 . 1 1 59 59 LEU HB2 H 1 1.085 0.02 . 2 . . . . . . . . 4593 1 651 . 1 1 59 59 LEU HB3 H 1 1.848 0.02 . 2 . . . . . . . . 4593 1 652 . 1 1 59 59 LEU HG H 1 0.725 0.02 . 1 . . . . . . . . 4593 1 653 . 1 1 59 59 LEU HD11 H 1 0.679 0.02 . 2 . . . . . . . . 4593 1 654 . 1 1 59 59 LEU HD12 H 1 0.679 0.02 . 2 . . . . . . . . 4593 1 655 . 1 1 59 59 LEU HD13 H 1 0.679 0.02 . 2 . . . . . . . . 4593 1 656 . 1 1 59 59 LEU HD21 H 1 1.587 0.02 . 2 . . . . . . . . 4593 1 657 . 1 1 59 59 LEU HD22 H 1 1.587 0.02 . 2 . . . . . . . . 4593 1 658 . 1 1 59 59 LEU HD23 H 1 1.587 0.02 . 2 . . . . . . . . 4593 1 659 . 1 1 59 59 LEU CA C 13 54.38 0.2 . 1 . . . . . . . . 4593 1 660 . 1 1 59 59 LEU CB C 13 40.58 0.2 . 1 . . . . . . . . 4593 1 661 . 1 1 59 59 LEU CG C 13 22.73 0.2 . 1 . . . . . . . . 4593 1 662 . 1 1 59 59 LEU CD1 C 13 26.64 0.2 . 2 . . . . . . . . 4593 1 663 . 1 1 59 59 LEU CD2 C 13 26.52 0.2 . 2 . . . . . . . . 4593 1 664 . 1 1 59 59 LEU N N 15 123.62 0.1 . 1 . . . . . . . . 4593 1 665 . 1 1 60 60 THR H H 1 8.500 0.02 . 1 . . . . . . . . 4593 1 666 . 1 1 60 60 THR HA H 1 4.455 0.02 . 1 . . . . . . . . 4593 1 667 . 1 1 60 60 THR HB H 1 4.378 0.02 . 1 . . . . . . . . 4593 1 668 . 1 1 60 60 THR HG21 H 1 1.143 0.02 . 1 . . . . . . . . 4593 1 669 . 1 1 60 60 THR HG22 H 1 1.143 0.02 . 1 . . . . . . . . 4593 1 670 . 1 1 60 60 THR HG23 H 1 1.143 0.02 . 1 . . . . . . . . 4593 1 671 . 1 1 60 60 THR CA C 13 62.17 0.2 . 1 . . . . . . . . 4593 1 672 . 1 1 60 60 THR CB C 13 70.62 0.2 . 1 . . . . . . . . 4593 1 673 . 1 1 60 60 THR CG2 C 13 21.69 0.2 . 1 . . . . . . . . 4593 1 674 . 1 1 60 60 THR N N 15 112.25 0.1 . 1 . . . . . . . . 4593 1 675 . 1 1 61 61 THR H H 1 7.730 0.02 . 1 . . . . . . . . 4593 1 676 . 1 1 61 61 THR HA H 1 5.064 0.02 . 1 . . . . . . . . 4593 1 677 . 1 1 61 61 THR HB H 1 4.544 0.02 . 1 . . . . . . . . 4593 1 678 . 1 1 61 61 THR HG21 H 1 1.257 0.02 . 1 . . . . . . . . 4593 1 679 . 1 1 61 61 THR HG22 H 1 1.257 0.02 . 1 . . . . . . . . 4593 1 680 . 1 1 61 61 THR HG23 H 1 1.257 0.02 . 1 . . . . . . . . 4593 1 681 . 1 1 61 61 THR CA C 13 58.42 0.2 . 1 . . . . . . . . 4593 1 682 . 1 1 61 61 THR CB C 13 69.59 0.2 . 1 . . . . . . . . 4593 1 683 . 1 1 61 61 THR CG2 C 13 22.03 0.2 . 1 . . . . . . . . 4593 1 684 . 1 1 61 61 THR N N 15 111.72 0.1 . 1 . . . . . . . . 4593 1 685 . 1 1 62 62 PRO HA H 1 4.174 0.02 . 1 . . . . . . . . 4593 1 686 . 1 1 62 62 PRO HB2 H 1 2.218 0.02 . 2 . . . . . . . . 4593 1 687 . 1 1 62 62 PRO HB3 H 1 2.270 0.02 . 2 . . . . . . . . 4593 1 688 . 1 1 62 62 PRO HG2 H 1 2.374 0.02 . 2 . . . . . . . . 4593 1 689 . 1 1 62 62 PRO HG3 H 1 1.851 0.02 . 2 . . . . . . . . 4593 1 690 . 1 1 62 62 PRO HD2 H 1 4.075 0.02 . 2 . . . . . . . . 4593 1 691 . 1 1 62 62 PRO HD3 H 1 3.881 0.02 . 2 . . . . . . . . 4593 1 692 . 1 1 62 62 PRO CA C 13 66.12 0.2 . 1 . . . . . . . . 4593 1 693 . 1 1 62 62 PRO CB C 13 32.18 0.2 . 1 . . . . . . . . 4593 1 694 . 1 1 62 62 PRO CG C 13 28.52 0.2 . 1 . . . . . . . . 4593 1 695 . 1 1 62 62 PRO CD C 13 50.58 0.2 . 1 . . . . . . . . 4593 1 696 . 1 1 63 63 GLY H H 1 8.906 0.02 . 1 . . . . . . . . 4593 1 697 . 1 1 63 63 GLY HA2 H 1 3.977 0.02 . 2 . . . . . . . . 4593 1 698 . 1 1 63 63 GLY HA3 H 1 3.788 0.02 . 2 . . . . . . . . 4593 1 699 . 1 1 63 63 GLY CA C 13 47.31 0.2 . 1 . . . . . . . . 4593 1 700 . 1 1 63 63 GLY N N 15 103.49 0.1 . 1 . . . . . . . . 4593 1 701 . 1 1 64 64 GLU H H 1 7.766 0.02 . 1 . . . . . . . . 4593 1 702 . 1 1 64 64 GLU HA H 1 4.100 0.02 . 1 . . . . . . . . 4593 1 703 . 1 1 64 64 GLU HB2 H 1 2.103 0.02 . 2 . . . . . . . . 4593 1 704 . 1 1 64 64 GLU HB3 H 1 2.281 0.02 . 2 . . . . . . . . 4593 1 705 . 1 1 64 64 GLU HG2 H 1 2.387 0.02 . 1 . . . . . . . . 4593 1 706 . 1 1 64 64 GLU HG3 H 1 2.387 0.02 . 1 . . . . . . . . 4593 1 707 . 1 1 64 64 GLU CA C 13 58.99 0.2 . 1 . . . . . . . . 4593 1 708 . 1 1 64 64 GLU CB C 13 30.86 0.2 . 1 . . . . . . . . 4593 1 709 . 1 1 64 64 GLU CG C 13 37.25 0.2 . 1 . . . . . . . . 4593 1 710 . 1 1 64 64 GLU N N 15 120.59 0.1 . 1 . . . . . . . . 4593 1 711 . 1 1 65 65 ILE H H 1 7.750 0.02 . 1 . . . . . . . . 4593 1 712 . 1 1 65 65 ILE HA H 1 3.787 0.02 . 1 . . . . . . . . 4593 1 713 . 1 1 65 65 ILE HB H 1 2.147 0.02 . 1 . . . . . . . . 4593 1 714 . 1 1 65 65 ILE HG12 H 1 1.189 0.02 . 2 . . . . . . . . 4593 1 715 . 1 1 65 65 ILE HG13 H 1 1.643 0.02 . 2 . . . . . . . . 4593 1 716 . 1 1 65 65 ILE HG21 H 1 0.814 0.02 . 1 . . . . . . . . 4593 1 717 . 1 1 65 65 ILE HG22 H 1 0.814 0.02 . 1 . . . . . . . . 4593 1 718 . 1 1 65 65 ILE HG23 H 1 0.814 0.02 . 1 . . . . . . . . 4593 1 719 . 1 1 65 65 ILE HD11 H 1 0.790 0.02 . 1 . . . . . . . . 4593 1 720 . 1 1 65 65 ILE HD12 H 1 0.790 0.02 . 1 . . . . . . . . 4593 1 721 . 1 1 65 65 ILE HD13 H 1 0.790 0.02 . 1 . . . . . . . . 4593 1 722 . 1 1 65 65 ILE CA C 13 64.48 0.2 . 1 . . . . . . . . 4593 1 723 . 1 1 65 65 ILE CB C 13 37.25 0.2 . 1 . . . . . . . . 4593 1 724 . 1 1 65 65 ILE CG1 C 13 29.66 0.2 . 1 . . . . . . . . 4593 1 725 . 1 1 65 65 ILE CG2 C 13 18.09 0.2 . 1 . . . . . . . . 4593 1 726 . 1 1 65 65 ILE CD1 C 13 12.46 0.2 . 1 . . . . . . . . 4593 1 727 . 1 1 65 65 ILE N N 15 120.95 0.1 . 1 . . . . . . . . 4593 1 728 . 1 1 66 66 ILE H H 1 8.550 0.02 . 1 . . . . . . . . 4593 1 729 . 1 1 66 66 ILE HA H 1 3.580 0.02 . 1 . . . . . . . . 4593 1 730 . 1 1 66 66 ILE HB H 1 1.849 0.02 . 1 . . . . . . . . 4593 1 731 . 1 1 66 66 ILE HG12 H 1 1.921 0.02 . 2 . . . . . . . . 4593 1 732 . 1 1 66 66 ILE HG13 H 1 0.702 0.02 . 2 . . . . . . . . 4593 1 733 . 1 1 66 66 ILE HG21 H 1 0.950 0.02 . 1 . . . . . . . . 4593 1 734 . 1 1 66 66 ILE HG22 H 1 0.950 0.02 . 1 . . . . . . . . 4593 1 735 . 1 1 66 66 ILE HG23 H 1 0.950 0.02 . 1 . . . . . . . . 4593 1 736 . 1 1 66 66 ILE HD11 H 1 0.896 0.02 . 1 . . . . . . . . 4593 1 737 . 1 1 66 66 ILE HD12 H 1 0.896 0.02 . 1 . . . . . . . . 4593 1 738 . 1 1 66 66 ILE HD13 H 1 0.896 0.02 . 1 . . . . . . . . 4593 1 739 . 1 1 66 66 ILE CA C 13 66.70 0.2 . 1 . . . . . . . . 4593 1 740 . 1 1 66 66 ILE CB C 13 38.91 0.2 . 1 . . . . . . . . 4593 1 741 . 1 1 66 66 ILE CG1 C 13 30.29 0.2 . 1 . . . . . . . . 4593 1 742 . 1 1 66 66 ILE CG2 C 13 17.50 0.2 . 1 . . . . . . . . 4593 1 743 . 1 1 66 66 ILE CD1 C 13 14.41 0.2 . 1 . . . . . . . . 4593 1 744 . 1 1 66 66 ILE N N 15 119.72 0.1 . 1 . . . . . . . . 4593 1 745 . 1 1 67 67 LYS H H 1 7.616 0.02 . 1 . . . . . . . . 4593 1 746 . 1 1 67 67 LYS HA H 1 3.900 0.02 . 1 . . . . . . . . 4593 1 747 . 1 1 67 67 LYS HB2 H 1 1.881 0.02 . 2 . . . . . . . . 4593 1 748 . 1 1 67 67 LYS HB3 H 1 1.932 0.02 . 2 . . . . . . . . 4593 1 749 . 1 1 67 67 LYS HG2 H 1 1.453 0.02 . 2 . . . . . . . . 4593 1 750 . 1 1 67 67 LYS HG3 H 1 1.529 0.02 . 2 . . . . . . . . 4593 1 751 . 1 1 67 67 LYS HD2 H 1 1.742 0.02 . 1 . . . . . . . . 4593 1 752 . 1 1 67 67 LYS HD3 H 1 1.742 0.02 . 1 . . . . . . . . 4593 1 753 . 1 1 67 67 LYS HE2 H 1 3.027 0.02 . 1 . . . . . . . . 4593 1 754 . 1 1 67 67 LYS HE3 H 1 3.027 0.02 . 1 . . . . . . . . 4593 1 755 . 1 1 67 67 LYS CA C 13 59.76 0.2 . 1 . . . . . . . . 4593 1 756 . 1 1 67 67 LYS CB C 13 32.69 0.2 . 1 . . . . . . . . 4593 1 757 . 1 1 67 67 LYS CG C 13 25.31 0.2 . 1 . . . . . . . . 4593 1 758 . 1 1 67 67 LYS CD C 13 29.15 0.2 . 1 . . . . . . . . 4593 1 759 . 1 1 67 67 LYS CE C 13 42.65 0.2 . 1 . . . . . . . . 4593 1 760 . 1 1 67 67 LYS N N 15 117.24 0.1 . 1 . . . . . . . . 4593 1 761 . 1 1 68 68 TYR H H 1 7.751 0.02 . 1 . . . . . . . . 4593 1 762 . 1 1 68 68 TYR HA H 1 4.123 0.02 . 1 . . . . . . . . 4593 1 763 . 1 1 68 68 TYR HB2 H 1 3.165 0.02 . 1 . . . . . . . . 4593 1 764 . 1 1 68 68 TYR HB3 H 1 3.165 0.02 . 1 . . . . . . . . 4593 1 765 . 1 1 68 68 TYR HD1 H 1 6.937 0.02 . 1 . . . . . . . . 4593 1 766 . 1 1 68 68 TYR HD2 H 1 6.937 0.02 . 1 . . . . . . . . 4593 1 767 . 1 1 68 68 TYR HE1 H 1 6.709 0.02 . 1 . . . . . . . . 4593 1 768 . 1 1 68 68 TYR HE2 H 1 6.709 0.02 . 1 . . . . . . . . 4593 1 769 . 1 1 68 68 TYR CA C 13 61.70 0.2 . 1 . . . . . . . . 4593 1 770 . 1 1 68 68 TYR CB C 13 39.13 0.2 . 1 . . . . . . . . 4593 1 771 . 1 1 68 68 TYR N N 15 118.82 0.1 . 1 . . . . . . . . 4593 1 772 . 1 1 68 68 TYR CD1 C 13 133.08 0.2 . 1 . . . . . . . . 4593 1 773 . 1 1 68 68 TYR CD2 C 13 133.08 0.2 . 1 . . . . . . . . 4593 1 774 . 1 1 68 68 TYR CE1 C 13 117.67 0.2 . 1 . . . . . . . . 4593 1 775 . 1 1 68 68 TYR CE2 C 13 117.67 0.2 . 1 . . . . . . . . 4593 1 776 . 1 1 69 69 VAL H H 1 8.173 0.02 . 1 . . . . . . . . 4593 1 777 . 1 1 69 69 VAL HA H 1 3.110 0.02 . 1 . . . . . . . . 4593 1 778 . 1 1 69 69 VAL HB H 1 1.777 0.02 . 1 . . . . . . . . 4593 1 779 . 1 1 69 69 VAL HG11 H 1 0.599 0.02 . 2 . . . . . . . . 4593 1 780 . 1 1 69 69 VAL HG12 H 1 0.599 0.02 . 2 . . . . . . . . 4593 1 781 . 1 1 69 69 VAL HG13 H 1 0.599 0.02 . 2 . . . . . . . . 4593 1 782 . 1 1 69 69 VAL HG21 H 1 0.130 0.02 . 2 . . . . . . . . 4593 1 783 . 1 1 69 69 VAL HG22 H 1 0.130 0.02 . 2 . . . . . . . . 4593 1 784 . 1 1 69 69 VAL HG23 H 1 0.130 0.02 . 2 . . . . . . . . 4593 1 785 . 1 1 69 69 VAL CA C 13 66.90 0.2 . 1 . . . . . . . . 4593 1 786 . 1 1 69 69 VAL CB C 13 31.63 0.2 . 1 . . . . . . . . 4593 1 787 . 1 1 69 69 VAL CG1 C 13 22.94 0.2 . 2 . . . . . . . . 4593 1 788 . 1 1 69 69 VAL CG2 C 13 21.21 0.2 . 2 . . . . . . . . 4593 1 789 . 1 1 69 69 VAL N N 15 118.53 0.1 . 1 . . . . . . . . 4593 1 790 . 1 1 70 70 LEU H H 1 8.448 0.02 . 1 . . . . . . . . 4593 1 791 . 1 1 70 70 LEU HA H 1 4.004 0.02 . 1 . . . . . . . . 4593 1 792 . 1 1 70 70 LEU HB2 H 1 1.502 0.02 . 2 . . . . . . . . 4593 1 793 . 1 1 70 70 LEU HB3 H 1 1.919 0.02 . 2 . . . . . . . . 4593 1 794 . 1 1 70 70 LEU HG H 1 2.008 0.02 . 1 . . . . . . . . 4593 1 795 . 1 1 70 70 LEU HD11 H 1 0.915 0.02 . 2 . . . . . . . . 4593 1 796 . 1 1 70 70 LEU HD12 H 1 0.915 0.02 . 2 . . . . . . . . 4593 1 797 . 1 1 70 70 LEU HD13 H 1 0.915 0.02 . 2 . . . . . . . . 4593 1 798 . 1 1 70 70 LEU HD21 H 1 0.979 0.02 . 2 . . . . . . . . 4593 1 799 . 1 1 70 70 LEU HD22 H 1 0.979 0.02 . 2 . . . . . . . . 4593 1 800 . 1 1 70 70 LEU HD23 H 1 0.979 0.02 . 2 . . . . . . . . 4593 1 801 . 1 1 70 70 LEU CA C 13 58.17 0.2 . 1 . . . . . . . . 4593 1 802 . 1 1 70 70 LEU CB C 13 41.21 0.2 . 1 . . . . . . . . 4593 1 803 . 1 1 70 70 LEU CG C 13 27.23 0.2 . 1 . . . . . . . . 4593 1 804 . 1 1 70 70 LEU CD1 C 13 25.75 0.2 . 2 . . . . . . . . 4593 1 805 . 1 1 70 70 LEU CD2 C 13 23.34 0.2 . 2 . . . . . . . . 4593 1 806 . 1 1 70 70 LEU N N 15 118.79 0.1 . 1 . . . . . . . . 4593 1 807 . 1 1 71 71 ASP H H 1 8.366 0.02 . 1 . . . . . . . . 4593 1 808 . 1 1 71 71 ASP HA H 1 4.404 0.02 . 1 . . . . . . . . 4593 1 809 . 1 1 71 71 ASP HB2 H 1 2.734 0.02 . 2 . . . . . . . . 4593 1 810 . 1 1 71 71 ASP HB3 H 1 2.564 0.02 . 2 . . . . . . . . 4593 1 811 . 1 1 71 71 ASP CA C 13 56.88 0.2 . 1 . . . . . . . . 4593 1 812 . 1 1 71 71 ASP CB C 13 40.59 0.2 . 1 . . . . . . . . 4593 1 813 . 1 1 71 71 ASP N N 15 118.97 0.1 . 1 . . . . . . . . 4593 1 814 . 1 1 72 72 ARG H H 1 7.730 0.02 . 1 . . . . . . . . 4593 1 815 . 1 1 72 72 ARG HA H 1 4.109 0.02 . 1 . . . . . . . . 4593 1 816 . 1 1 72 72 ARG HB2 H 1 1.551 0.02 . 2 . . . . . . . . 4593 1 817 . 1 1 72 72 ARG HB3 H 1 1.784 0.02 . 2 . . . . . . . . 4593 1 818 . 1 1 72 72 ARG HG2 H 1 1.328 0.02 . 2 . . . . . . . . 4593 1 819 . 1 1 72 72 ARG HG3 H 1 1.211 0.02 . 2 . . . . . . . . 4593 1 820 . 1 1 72 72 ARG HD2 H 1 2.752 0.02 . 2 . . . . . . . . 4593 1 821 . 1 1 72 72 ARG HD3 H 1 2.909 0.02 . 2 . . . . . . . . 4593 1 822 . 1 1 72 72 ARG HE H 1 7.051 0.02 . 1 . . . . . . . . 4593 1 823 . 1 1 72 72 ARG CA C 13 56.65 0.2 . 1 . . . . . . . . 4593 1 824 . 1 1 72 72 ARG CB C 13 30.25 0.2 . 1 . . . . . . . . 4593 1 825 . 1 1 72 72 ARG CG C 13 26.68 0.2 . 1 . . . . . . . . 4593 1 826 . 1 1 72 72 ARG CD C 13 42.25 0.2 . 1 . . . . . . . . 4593 1 827 . 1 1 72 72 ARG N N 15 118.69 0.1 . 1 . . . . . . . . 4593 1 828 . 1 1 72 72 ARG NE N 15 84.34 0.1 . 1 . . . . . . . . 4593 1 829 . 1 1 73 73 GLN H H 1 7.994 0.02 . 1 . . . . . . . . 4593 1 830 . 1 1 73 73 GLN HA H 1 4.178 0.02 . 1 . . . . . . . . 4593 1 831 . 1 1 73 73 GLN HB2 H 1 2.064 0.02 . 1 . . . . . . . . 4593 1 832 . 1 1 73 73 GLN HB3 H 1 2.064 0.02 . 1 . . . . . . . . 4593 1 833 . 1 1 73 73 GLN HG2 H 1 2.230 0.02 . 2 . . . . . . . . 4593 1 834 . 1 1 73 73 GLN HG3 H 1 2.474 0.02 . 2 . . . . . . . . 4593 1 835 . 1 1 73 73 GLN HE21 H 1 6.634 0.02 . 2 . . . . . . . . 4593 1 836 . 1 1 73 73 GLN HE22 H 1 7.293 0.02 . 2 . . . . . . . . 4593 1 837 . 1 1 73 73 GLN CA C 13 57.29 0.2 . 1 . . . . . . . . 4593 1 838 . 1 1 73 73 GLN CB C 13 29.31 0.2 . 1 . . . . . . . . 4593 1 839 . 1 1 73 73 GLN CG C 13 34.54 0.2 . 1 . . . . . . . . 4593 1 840 . 1 1 73 73 GLN N N 15 118.47 0.1 . 1 . . . . . . . . 4593 1 841 . 1 1 73 73 GLN NE2 N 15 110.62 0.1 . 1 . . . . . . . . 4593 1 842 . 1 1 74 74 LYS H H 1 7.818 0.02 . 1 . . . . . . . . 4593 1 843 . 1 1 74 74 LYS HA H 1 4.308 0.02 . 1 . . . . . . . . 4593 1 844 . 1 1 74 74 LYS HB2 H 1 1.897 0.02 . 1 . . . . . . . . 4593 1 845 . 1 1 74 74 LYS HB3 H 1 1.897 0.02 . 1 . . . . . . . . 4593 1 846 . 1 1 74 74 LYS HG2 H 1 1.535 0.02 . 2 . . . . . . . . 4593 1 847 . 1 1 74 74 LYS HG3 H 1 1.472 0.02 . 2 . . . . . . . . 4593 1 848 . 1 1 74 74 LYS HD2 H 1 1.705 0.02 . 1 . . . . . . . . 4593 1 849 . 1 1 74 74 LYS HD3 H 1 1.705 0.02 . 1 . . . . . . . . 4593 1 850 . 1 1 74 74 LYS HE2 H 1 3.004 0.02 . 1 . . . . . . . . 4593 1 851 . 1 1 74 74 LYS HE3 H 1 3.004 0.02 . 1 . . . . . . . . 4593 1 852 . 1 1 74 74 LYS CA C 13 57.12 0.2 . 1 . . . . . . . . 4593 1 853 . 1 1 74 74 LYS CB C 13 32.86 0.2 . 1 . . . . . . . . 4593 1 854 . 1 1 74 74 LYS CG C 13 24.96 0.2 . 1 . . . . . . . . 4593 1 855 . 1 1 74 74 LYS CD C 13 29.32 0.2 . 1 . . . . . . . . 4593 1 856 . 1 1 74 74 LYS CE C 13 42.45 0.2 . 1 . . . . . . . . 4593 1 857 . 1 1 74 74 LYS N N 15 119.92 0.1 . 1 . . . . . . . . 4593 1 858 . 1 1 75 75 THR H H 1 7.885 0.02 . 1 . . . . . . . . 4593 1 859 . 1 1 75 75 THR HA H 1 4.325 0.02 . 1 . . . . . . . . 4593 1 860 . 1 1 75 75 THR HB H 1 4.223 0.02 . 1 . . . . . . . . 4593 1 861 . 1 1 75 75 THR HG21 H 1 1.218 0.02 . 1 . . . . . . . . 4593 1 862 . 1 1 75 75 THR HG22 H 1 1.218 0.02 . 1 . . . . . . . . 4593 1 863 . 1 1 75 75 THR HG23 H 1 1.218 0.02 . 1 . . . . . . . . 4593 1 864 . 1 1 75 75 THR CA C 13 61.81 0.2 . 1 . . . . . . . . 4593 1 865 . 1 1 75 75 THR CB C 13 69.98 0.2 . 1 . . . . . . . . 4593 1 866 . 1 1 75 75 THR CG2 C 13 21.82 0.2 . 1 . . . . . . . . 4593 1 867 . 1 1 75 75 THR N N 15 113.70 0.1 . 1 . . . . . . . . 4593 1 868 . 1 1 76 76 ALA H H 1 8.132 0.02 . 1 . . . . . . . . 4593 1 869 . 1 1 76 76 ALA HA H 1 4.610 0.02 . 1 . . . . . . . . 4593 1 870 . 1 1 76 76 ALA HB1 H 1 1.384 0.02 . 1 . . . . . . . . 4593 1 871 . 1 1 76 76 ALA HB2 H 1 1.384 0.02 . 1 . . . . . . . . 4593 1 872 . 1 1 76 76 ALA HB3 H 1 1.384 0.02 . 1 . . . . . . . . 4593 1 873 . 1 1 76 76 ALA CA C 13 51.00 0.2 . 1 . . . . . . . . 4593 1 874 . 1 1 76 76 ALA CB C 13 18.37 0.2 . 1 . . . . . . . . 4593 1 875 . 1 1 76 76 ALA N N 15 127.89 0.1 . 1 . . . . . . . . 4593 1 876 . 1 1 77 77 PRO HA H 1 4.435 0.02 . 1 . . . . . . . . 4593 1 877 . 1 1 77 77 PRO HB2 H 1 2.296 0.02 . 1 . . . . . . . . 4593 1 878 . 1 1 77 77 PRO HB3 H 1 2.296 0.02 . 1 . . . . . . . . 4593 1 879 . 1 1 77 77 PRO HG2 H 1 2.023 0.02 . 1 . . . . . . . . 4593 1 880 . 1 1 77 77 PRO HG3 H 1 2.023 0.02 . 1 . . . . . . . . 4593 1 881 . 1 1 77 77 PRO HD2 H 1 3.654 0.02 . 2 . . . . . . . . 4593 1 882 . 1 1 77 77 PRO HD3 H 1 3.794 0.02 . 2 . . . . . . . . 4593 1 883 . 1 1 77 77 PRO CA C 13 63.16 0.2 . 1 . . . . . . . . 4593 1 884 . 1 1 77 77 PRO CB C 13 32.17 0.2 . 1 . . . . . . . . 4593 1 885 . 1 1 77 77 PRO CG C 13 27.64 0.2 . 1 . . . . . . . . 4593 1 886 . 1 1 77 77 PRO CD C 13 50.58 0.2 . 1 . . . . . . . . 4593 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants _Coupling_constant_list.Entry_ID 4593 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4593 1 . . 2 $sample_2 . 4593 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 ASP HN H 1 . . 1 1 2 2 ASP HA H 1 . 8.70 . . . . . . . . . . . . . . 4593 1 2 3JHNHA . 1 1 3 3 ILE HN H 1 . . 1 1 3 3 ILE HA H 1 . 8.65 . . . . . . . . . . . . . . 4593 1 3 3JHNHA . 1 1 4 4 MET HN H 1 . . 1 1 4 4 MET HA H 1 . 8.00 . . . . . . . . . . . . . . 4593 1 4 3JHNHA . 1 1 5 5 GLN HN H 1 . . 1 1 5 5 GLN HA H 1 . 4.19 . . . . . . . . . . . . . . 4593 1 5 3JHNHA . 1 1 6 6 GLY HN H 1 . . 1 1 6 6 GLY HA H 1 . 6.58 . . . . . . . . . . . . . . 4593 1 6 3JHNHA . 1 1 8 8 SER HN H 1 . . 1 1 8 8 SER HA H 1 . 10.68 . . . . . . . . . . . . . . 4593 1 7 3JHNHA . 1 1 9 9 GLU HN H 1 . . 1 1 9 9 GLU HA H 1 . 8.48 . . . . . . . . . . . . . . 4593 1 8 3JHNHA . 1 1 10 10 SER HN H 1 . . 1 1 10 10 SER HA H 1 . 5.45 . . . . . . . . . . . . . . 4593 1 9 3JHNHA . 1 1 11 11 PHE HN H 1 . . 1 1 11 11 PHE HA H 1 . 3.42 . . . . . . . . . . . . . . 4593 1 10 3JHNHA . 1 1 12 12 VAL HN H 1 . . 1 1 12 12 VAL HA H 1 . 3.93 . . . . . . . . . . . . . . 4593 1 11 3JHNHA . 1 1 13 13 ASP HN H 1 . . 1 1 13 13 ASP HA H 1 . 6.13 . . . . . . . . . . . . . . 4593 1 12 3JHNHA . 1 1 14 14 PHE HN H 1 . . 1 1 14 14 PHE HA H 1 . 4.35 . . . . . . . . . . . . . . 4593 1 13 3JHNHA . 1 1 15 15 ALA HN H 1 . . 1 1 15 15 ALA HA H 1 . 2.55 . . . . . . . . . . . . . . 4593 1 14 3JHNHA . 1 1 16 16 ASN HN H 1 . . 1 1 16 16 ASN HA H 1 . 7.45 . . . . . . . . . . . . . . 4593 1 15 3JHNHA . 1 1 17 17 ARG HN H 1 . . 1 1 17 17 ARG HA H 1 . 6.05 . . . . . . . . . . . . . . 4593 1 16 3JHNHA . 1 1 18 18 LEU HN H 1 . . 1 1 18 18 LEU HA H 1 . 4.85 . . . . . . . . . . . . . . 4593 1 17 3JHNHA . 1 1 19 19 ILE HN H 1 . . 1 1 19 19 ILE HA H 1 . 2.37 . . . . . . . . . . . . . . 4593 1 18 3JHNHA . 1 1 20 20 LYS HN H 1 . . 1 1 20 20 LYS HA H 1 . 4.91 . . . . . . . . . . . . . . 4593 1 19 3JHNHA . 1 1 21 21 ALA HN H 1 . . 1 1 21 21 ALA HA H 1 . 4.79 . . . . . . . . . . . . . . 4593 1 20 3JHNHA . 1 1 23 23 GLU HN H 1 . . 1 1 23 23 GLU HA H 1 . 3.59 . . . . . . . . . . . . . . 4593 1 21 3JHNHA . 1 1 24 24 GLY HN H 1 . . 1 1 24 24 GLY HA2 H 1 . 8.04 . . . . . . . . . . . . . . 4593 1 22 3JHNHA . 1 1 24 24 GLY HN H 1 . . 1 1 24 24 GLY HA3 H 1 . 5.41 . . . . . . . . . . . . . . 4593 1 23 3JHNHA . 1 1 25 25 SER HN H 1 . . 1 1 25 25 SER HA H 1 . 8.24 . . . . . . . . . . . . . . 4593 1 24 3JHNHA . 1 1 26 26 ASP HN H 1 . . 1 1 26 26 ASP HA H 1 . 7.05 . . . . . . . . . . . . . . 4593 1 25 3JHNHA . 1 1 27 27 LEU HN H 1 . . 1 1 27 27 LEU HA H 1 . 5.04 . . . . . . . . . . . . . . 4593 1 26 3JHNHA . 1 1 30 30 SER HN H 1 . . 1 1 30 30 SER HA H 1 . 4.83 . . . . . . . . . . . . . . 4593 1 27 3JHNHA . 1 1 31 31 ALA HN H 1 . . 1 1 31 31 ALA HA H 1 . 8.41 . . . . . . . . . . . . . . 4593 1 28 3JHNHA . 1 1 32 32 ARG HN H 1 . . 1 1 32 32 ARG HA H 1 . 4.66 . . . . . . . . . . . . . . 4593 1 29 3JHNHA . 1 1 33 33 ALA HN H 1 . . 1 1 33 33 ALA HA H 1 . 3.97 . . . . . . . . . . . . . . 4593 1 30 3JHNHA . 1 1 35 35 VAL HN H 1 . . 1 1 35 35 VAL HA H 1 . 6.15 . . . . . . . . . . . . . . 4593 1 31 3JHNHA . 1 1 36 36 ILE HN H 1 . . 1 1 36 36 ILE HA H 1 . 4.00 . . . . . . . . . . . . . . 4593 1 32 3JHNHA . 1 1 37 37 ILE HN H 1 . . 1 1 37 37 ILE HA H 1 . 3.73 . . . . . . . . . . . . . . 4593 1 33 3JHNHA . 1 1 38 38 ASP HN H 1 . . 1 1 38 38 ASP HA H 1 . 3.83 . . . . . . . . . . . . . . 4593 1 34 3JHNHA . 1 1 39 39 CYS HN H 1 . . 1 1 39 39 CYS HA H 1 . 5.20 . . . . . . . . . . . . . . 4593 1 35 3JHNHA . 1 1 40 40 PHE HN H 1 . . 1 1 40 40 PHE HA H 1 . 3.95 . . . . . . . . . . . . . . 4593 1 36 3JHNHA . 1 1 41 41 ARG HN H 1 . . 1 1 41 41 ARG HA H 1 . 3.81 . . . . . . . . . . . . . . 4593 1 37 3JHNHA . 1 1 42 42 GLN HN H 1 . . 1 1 42 42 GLN HA H 1 . 9.76 . . . . . . . . . . . . . . 4593 1 38 3JHNHA . 1 1 43 43 LYS HN H 1 . . 1 1 43 43 LYS HA H 1 . 10.59 . . . . . . . . . . . . . . 4593 1 39 3JHNHA . 1 1 44 44 SER HN H 1 . . 1 1 44 44 SER HA H 1 . 6.69 . . . . . . . . . . . . . . 4593 1 40 3JHNHA . 1 1 45 45 GLN HN H 1 . . 1 1 45 45 GLN HA H 1 . 4.22 . . . . . . . . . . . . . . 4593 1 41 3JHNHA . 1 1 47 47 ASP HN H 1 . . 1 1 47 47 ASP HA H 1 . 5.34 . . . . . . . . . . . . . . 4593 1 42 3JHNHA . 1 1 48 48 ILE HN H 1 . . 1 1 48 48 ILE HA H 1 . 8.04 . . . . . . . . . . . . . . 4593 1 43 3JHNHA . 1 1 49 49 GLN HN H 1 . . 1 1 49 49 GLN HA H 1 . 2.98 . . . . . . . . . . . . . . 4593 1 44 3JHNHA . 1 1 50 50 GLN HN H 1 . . 1 1 50 50 GLN HA H 1 . 5.01 . . . . . . . . . . . . . . 4593 1 45 3JHNHA . 1 1 51 51 LEU HN H 1 . . 1 1 51 51 LEU HA H 1 . 5.55 . . . . . . . . . . . . . . 4593 1 46 3JHNHA . 1 1 52 52 ILE HN H 1 . . 1 1 52 52 ILE HA H 1 . 4.64 . . . . . . . . . . . . . . 4593 1 47 3JHNHA . 1 1 53 53 ARG HN H 1 . . 1 1 53 53 ARG HA H 1 . 3.46 . . . . . . . . . . . . . . 4593 1 48 3JHNHA . 1 1 54 54 THR HN H 1 . . 1 1 54 54 THR HA H 1 . 10.50 . . . . . . . . . . . . . . 4593 1 49 3JHNHA . 1 1 55 55 ALA HN H 1 . . 1 1 55 55 ALA HA H 1 . 3.71 . . . . . . . . . . . . . . 4593 1 50 3JHNHA . 1 1 57 57 SER HN H 1 . . 1 1 57 57 SER HA H 1 . 6.87 . . . . . . . . . . . . . . 4593 1 51 3JHNHA . 1 1 58 58 THR HN H 1 . . 1 1 58 58 THR HA H 1 . 5.34 . . . . . . . . . . . . . . 4593 1 52 3JHNHA . 1 1 59 59 LEU HN H 1 . . 1 1 59 59 LEU HA H 1 . 10.16 . . . . . . . . . . . . . . 4593 1 53 3JHNHA . 1 1 60 60 THR HN H 1 . . 1 1 60 60 THR HA H 1 . 10.78 . . . . . . . . . . . . . . 4593 1 54 3JHNHA . 1 1 61 61 THR HN H 1 . . 1 1 61 61 THR HA H 1 . 8.59 . . . . . . . . . . . . . . 4593 1 55 3JHNHA . 1 1 63 63 GLY HN H 1 . . 1 1 63 63 GLY HA2 H 1 . 6.79 . . . . . . . . . . . . . . 4593 1 56 3JHNHA . 1 1 63 63 GLY HN H 1 . . 1 1 63 63 GLY HA3 H 1 . 3.54 . . . . . . . . . . . . . . 4593 1 57 3JHNHA . 1 1 66 66 ILE HN H 1 . . 1 1 66 66 ILE HA H 1 . 4.64 . . . . . . . . . . . . . . 4593 1 58 3JHNHA . 1 1 67 67 LYS HN H 1 . . 1 1 67 67 LYS HA H 1 . 4.27 . . . . . . . . . . . . . . 4593 1 59 3JHNHA . 1 1 69 69 VAL HN H 1 . . 1 1 69 69 VAL HA H 1 . 5.02 . . . . . . . . . . . . . . 4593 1 60 3JHNHA . 1 1 71 71 ASP HN H 1 . . 1 1 71 71 ASP HA H 1 . 4.74 . . . . . . . . . . . . . . 4593 1 61 3JHNHA . 1 1 73 73 GLN HN H 1 . . 1 1 73 73 GLN HA H 1 . 6.30 . . . . . . . . . . . . . . 4593 1 62 3JHNHA . 1 1 74 74 LYS HN H 1 . . 1 1 74 74 LYS HA H 1 . 6.80 . . . . . . . . . . . . . . 4593 1 63 3JHNHA . 1 1 75 75 THR HN H 1 . . 1 1 75 75 THR HA H 1 . 7.49 . . . . . . . . . . . . . . 4593 1 64 3JHNHA . 1 1 76 76 ALA HN H 1 . . 1 1 76 76 ALA HA H 1 . 6.67 . . . . . . . . . . . . . . 4593 1 65 3JHNHB . 1 1 9 9 GLU HN H 1 . . 1 1 9 9 GLU HB2 H 1 . -1.54 . . . . . . . . . . . . . . 4593 1 66 3JHNHB . 1 1 9 9 GLU HN H 1 . . 1 1 9 9 GLU HB3 H 1 . -0.43 . . . . . . . . . . . . . . 4593 1 67 3JHNHB . 1 1 10 10 SER HN H 1 . . 1 1 10 10 SER HB2 H 1 . -3.70 . . . . . . . . . . . . . . 4593 1 68 3JHNHB . 1 1 10 10 SER HN H 1 . . 1 1 10 10 SER HB3 H 1 . -1.95 . . . . . . . . . . . . . . 4593 1 69 3JHNHB . 1 1 11 11 PHE HN H 1 . . 1 1 11 11 PHE HB2 H 1 . -0.58 . . . . . . . . . . . . . . 4593 1 70 3JHNHB . 1 1 11 11 PHE HN H 1 . . 1 1 11 11 PHE HB3 H 1 . -1.27 . . . . . . . . . . . . . . 4593 1 71 3JHNHB . 1 1 14 14 PHE HN H 1 . . 1 1 14 14 PHE HB2 H 1 . -0.52 . . . . . . . . . . . . . . 4593 1 72 3JHNHB . 1 1 14 14 PHE HN H 1 . . 1 1 14 14 PHE HB3 H 1 . -2.04 . . . . . . . . . . . . . . 4593 1 73 3JHNHB . 1 1 16 16 ASN HN H 1 . . 1 1 16 16 ASN HB2 H 1 . -3.65 . . . . . . . . . . . . . . 4593 1 74 3JHNHB . 1 1 16 16 ASN HN H 1 . . 1 1 16 16 ASN HB3 H 1 . -2.65 . . . . . . . . . . . . . . 4593 1 75 3JHNHB . 1 1 18 18 LEU HN H 1 . . 1 1 18 18 LEU HB2 H 1 . -1.69 . . . . . . . . . . . . . . 4593 1 76 3JHNHB . 1 1 18 18 LEU HN H 1 . . 1 1 18 18 LEU HB3 H 1 . -0.76 . . . . . . . . . . . . . . 4593 1 77 3JHNHB . 1 1 27 27 LEU HN H 1 . . 1 1 27 27 LEU HB2 H 1 . -4.21 . . . . . . . . . . . . . . 4593 1 78 3JHNHB . 1 1 27 27 LEU HN H 1 . . 1 1 27 27 LEU HB3 H 1 . -2.67 . . . . . . . . . . . . . . 4593 1 79 3JHNHB . 1 1 32 32 ARG HN H 1 . . 1 1 32 32 ARG HB2 H 1 . -4.63 . . . . . . . . . . . . . . 4593 1 80 3JHNHB . 1 1 32 32 ARG HN H 1 . . 1 1 32 32 ARG HB3 H 1 . -2.29 . . . . . . . . . . . . . . 4593 1 81 3JHNHB . 1 1 38 38 ASP HN H 1 . . 1 1 38 38 ASP HB2 H 1 . -2.76 . . . . . . . . . . . . . . 4593 1 82 3JHNHB . 1 1 38 38 ASP HN H 1 . . 1 1 38 38 ASP HB3 H 1 . -2.08 . . . . . . . . . . . . . . 4593 1 83 3JHNHB . 1 1 39 39 CYS HN H 1 . . 1 1 39 39 CYS HB2 H 1 . -3.21 . . . . . . . . . . . . . . 4593 1 84 3JHNHB . 1 1 39 39 CYS HN H 1 . . 1 1 39 39 CYS HB3 H 1 . -1.62 . . . . . . . . . . . . . . 4593 1 85 3JHNHB . 1 1 40 40 PHE HN H 1 . . 1 1 40 40 PHE HB2 H 1 . -4.64 . . . . . . . . . . . . . . 4593 1 86 3JHNHB . 1 1 40 40 PHE HN H 1 . . 1 1 40 40 PHE HB3 H 1 . -2.05 . . . . . . . . . . . . . . 4593 1 87 3JHNHB . 1 1 41 41 ARG HN H 1 . . 1 1 41 41 ARG HB2 H 1 . -3.10 . . . . . . . . . . . . . . 4593 1 88 3JHNHB . 1 1 41 41 ARG HN H 1 . . 1 1 41 41 ARG HB3 H 1 . -2.66 . . . . . . . . . . . . . . 4593 1 89 3JHNHB . 1 1 42 42 GLN HN H 1 . . 1 1 42 42 GLN HB2 H 1 . -3.75 . . . . . . . . . . . . . . 4593 1 90 3JHNHB . 1 1 42 42 GLN HN H 1 . . 1 1 42 42 GLN HB3 H 1 . -1.49 . . . . . . . . . . . . . . 4593 1 91 3JHNHB . 1 1 43 43 LYS HN H 1 . . 1 1 43 43 LYS HB2 H 1 . -3.53 . . . . . . . . . . . . . . 4593 1 92 3JHNHB . 1 1 43 43 LYS HN H 1 . . 1 1 43 43 LYS HB3 H 1 . -1.01 . . . . . . . . . . . . . . 4593 1 93 3JHNHB . 1 1 44 44 SER HN H 1 . . 1 1 44 44 SER HB2 H 1 . -2.42 . . . . . . . . . . . . . . 4593 1 94 3JHNHB . 1 1 44 44 SER HN H 1 . . 1 1 44 44 SER HB3 H 1 . -2.34 . . . . . . . . . . . . . . 4593 1 95 3JHNHB . 1 1 45 45 GLN HN H 1 . . 1 1 45 45 GLN HB2 H 1 . -4.19 . . . . . . . . . . . . . . 4593 1 96 3JHNHB . 1 1 45 45 GLN HN H 1 . . 1 1 45 45 GLN HB3 H 1 . -2.55 . . . . . . . . . . . . . . 4593 1 97 3JHNHB . 1 1 47 47 ASP HN H 1 . . 1 1 47 47 ASP HB2 H 1 . -3.72 . . . . . . . . . . . . . . 4593 1 98 3JHNHB . 1 1 47 47 ASP HN H 1 . . 1 1 47 47 ASP HB3 H 1 . -2.91 . . . . . . . . . . . . . . 4593 1 99 3JHNHB . 1 1 51 51 LEU HN H 1 . . 1 1 51 51 LEU HB2 H 1 . -3.56 . . . . . . . . . . . . . . 4593 1 100 3JHNHB . 1 1 51 51 LEU HN H 1 . . 1 1 51 51 LEU HB3 H 1 . -1.93 . . . . . . . . . . . . . . 4593 1 101 3JHNHB . 1 1 59 59 LEU HN H 1 . . 1 1 59 59 LEU HB2 H 1 . -4.52 . . . . . . . . . . . . . . 4593 1 102 3JHNHB . 1 1 59 59 LEU HN H 1 . . 1 1 59 59 LEU HB3 H 1 . -0.86 . . . . . . . . . . . . . . 4593 1 103 3JHNHB . 1 1 64 64 GLU HN H 1 . . 1 1 64 64 GLU HB2 H 1 . -4.44 . . . . . . . . . . . . . . 4593 1 104 3JHNHB . 1 1 64 64 GLU HN H 1 . . 1 1 64 64 GLU HB3 H 1 . -2.40 . . . . . . . . . . . . . . 4593 1 105 3JHNHB . 1 1 71 71 ASP HN H 1 . . 1 1 71 71 ASP HB2 H 1 . -3.72 . . . . . . . . . . . . . . 4593 1 106 3JHNHB . 1 1 71 71 ASP HN H 1 . . 1 1 71 71 ASP HB3 H 1 . -2.25 . . . . . . . . . . . . . . 4593 1 107 3JHNHB . 1 1 3 3 ILE HN H 1 . . 1 1 3 3 ILE HB H 1 . -1.62 . . . . . . . . . . . . . . 4593 1 108 3JHNHB . 1 1 12 12 VAL HN H 1 . . 1 1 12 12 VAL HB H 1 . -2.04 . . . . . . . . . . . . . . 4593 1 109 3JHNHB . 1 1 19 19 ILE HN H 1 . . 1 1 19 19 ILE HB H 1 . -2.04 . . . . . . . . . . . . . . 4593 1 110 3JHNHB . 1 1 35 35 VAL HN H 1 . . 1 1 35 35 VAL HB H 1 . -1.97 . . . . . . . . . . . . . . 4593 1 111 3JHNHB . 1 1 36 36 ILE HN H 1 . . 1 1 36 36 ILE HB H 1 . -1.74 . . . . . . . . . . . . . . 4593 1 112 3JHNHB . 1 1 37 37 ILE HN H 1 . . 1 1 37 37 ILE HB H 1 . -2.01 . . . . . . . . . . . . . . 4593 1 113 3JHNHB . 1 1 48 48 ILE HN H 1 . . 1 1 48 48 ILE HB H 1 . -1.47 . . . . . . . . . . . . . . 4593 1 114 3JHNHB . 1 1 52 52 ILE HN H 1 . . 1 1 52 52 ILE HB H 1 . -1.58 . . . . . . . . . . . . . . 4593 1 115 3JHNHB . 1 1 54 54 THR HN H 1 . . 1 1 54 54 THR HB H 1 . -3.12 . . . . . . . . . . . . . . 4593 1 116 3JHNHB . 1 1 58 58 THR HN H 1 . . 1 1 58 58 THR HB H 1 . -2.40 . . . . . . . . . . . . . . 4593 1 117 3JHNHB . 1 1 60 60 THR HN H 1 . . 1 1 60 60 THR HB H 1 . -2.84 . . . . . . . . . . . . . . 4593 1 118 3JHNHB . 1 1 61 61 THR HN H 1 . . 1 1 61 61 THR HB H 1 . -3.11 . . . . . . . . . . . . . . 4593 1 119 3JHNHB . 1 1 65 65 ILE HN H 1 . . 1 1 65 65 ILE HB H 1 . -2.11 . . . . . . . . . . . . . . 4593 1 120 3JHNHB . 1 1 66 66 ILE HN H 1 . . 1 1 66 66 ILE HB H 1 . -1.80 . . . . . . . . . . . . . . 4593 1 121 3JHNHB . 1 1 69 69 VAL HN H 1 . . 1 1 69 69 VAL HB H 1 . -1.17 . . . . . . . . . . . . . . 4593 1 122 3JHNHB . 1 1 75 75 THR HN H 1 . . 1 1 75 75 THR HB H 1 . -2.31 . . . . . . . . . . . . . . 4593 1 stop_ save_