data_4583 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4583 _Entry.Title ; The C-terminal Domain of the RNA Polymerase Alpha Subunit from Thermus Thermophilus ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-05-05 _Entry.Accession_date 2000-09-07 _Entry.Last_release_date 2000-12-19 _Entry.Original_release_date 2000-12-19 _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 T. Wada . . . 4583 2 T. Yamazaki . . . 4583 3 Y. Kyogoku . . . 4583 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4583 coupling_constants 1 4583 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 480 4583 '13C chemical shifts' 251 4583 '15N chemical shifts' 83 4583 'coupling constants' 69 4583 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 . . 2000-12-19 2000-05-05 original author . 4583 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4583 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20283639 _Citation.DOI . _Citation.PubMed_ID 10821859 _Citation.Full_citation . _Citation.Title ; The structure and the characteristic DNA binding property of the C-terminal domain of the RNA polymerase alpha subunit from Thermus thermophilus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 275 _Citation.Journal_issue 21 _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 16057 _Citation.Page_last 16063 _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 T. Wada . . . 4583 1 2 T. Yamazaki . . . 4583 1 3 Y. Kyogoku . . . 4583 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID TRANSCRIPTION 4583 1 'RNA POLYMERASE' 4583 1 'THERMUS THERMOPHILUS' 4583 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RNA_POLYMERASE _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RNA_POLYMERASE _Assembly.Entry_ID 4583 _Assembly.ID 1 _Assembly.Name 'RNA POLYMERASE ALPHA SUBUNIT (2.7.7.-)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4583 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 'RNA POLYMERASE ALPHA SUBUNIT' 1 $RNA_POLYMERASE . . . native . . . . . 4583 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 1DOQA . 'Chain A, The C-Terminal Domain Of The Rna Polymerase Alpha Subunit From Thermus Thermophilus' . . . . 4583 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'RNA POLYMERASE ALPHA SUBUNIT (2.7.7.-)' system 4583 1 'RNA POLYMERASE ALPHA SUBUNIT' abbreviation 4583 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_POLYMERASE _Entity.Sf_category entity _Entity.Sf_framecode RNA_POLYMERASE _Entity.Entry_ID 4583 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RNA POLYMERASE ALPHA SUBUNIT' _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 ; AAPEEAKEPEAPPEQEEELD LPLEELGLSTRVLHSLKEEG IESVRALLALNLKDLKNIPG IGERSLEEIKEALEKKGFTL KE ; _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 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1DOQ . "The C-Terminal Domain Of The Rna Polymerase Alpha Subunit From Thermus Thermophilus" . . . . . 84.15 69 100.00 100.00 8.22e-36 . . . . 4583 1 2 no PDB 1IW7 . "Crystal Structure Of The Rna Polymerase Holoenzyme From Thermus Thermophilus At 2.6a Resolution" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 3 no PDB 1SMY . "Structural Basis For Transcription Regulation By Alarmone Ppgpp" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 4 no PDB 1ZYR . "Structure Of Thermus Thermophilus Rna Polymerase Holoenzyme In Complex With The Antibiotic Streptolydigin" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 5 no PDB 2A68 . "Crystal Structure Of The T. Thermophilus Rna Polymerase Holoenzyme In Complex With Antibiotic Rifabutin" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 6 no PDB 2A69 . "Crystal Structure Of The T. Thermophilus Rna Polymerase Holoenzyme In Complex With Antibiotic Rifapentin" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 7 no PDB 2A6E . "Crystal Structure Of The T. Thermophilus Rna Polymerase Holoenzyme" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 8 no PDB 2A6H . "Crystal Structure Of The T. Thermophilus Rna Polymerase Holoenzyme In Complex With Antibiotic Sterptolydigin" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 9 no PDB 2BE5 . "Crystal Structure Of The T. Thermophilus Rna Polymerase Holoenzyme In Complex With Inhibitor Tagetitoxin" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 10 no PDB 2CW0 . "Crystal Structure Of Thermus Thermophilus Rna Polymerase Holoenzyme At 3.3 Angstroms Resolution" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 11 no PDB 2O5I . "Crystal Structure Of The T. Thermophilus Rna Polymerase Elongation Complex" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 12 no PDB 2O5J . "Crystal Structure Of The T. Thermophilus Rnap Polymerase Elongation Complex With The Ntp Substrate Analog" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 13 no PDB 2PPB . "Crystal Structure Of The T. Thermophilus Rnap Polymerase Elongation Complex With The Ntp Substrate Analog And Antibiotic Strept" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 14 no PDB 3AOH . "Rna Polymerase-Gfh1 Complex (Crystal Type 1)" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 15 no PDB 3AOI . "Rna Polymerase-Gfh1 Complex (Crystal Type 2)" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 16 no PDB 3DXJ . "Crystal Structure Of Thermus Thermophilus Rna Polymerase Holoenzyme In Complex With The Antibiotic Myxopyronin" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 17 no PDB 3EQL . "Crystal Structure Of The T. Thermophilus Rna Polymerase Holoenzyme In Complex With Antibiotic Myxopyronin" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 18 no PDB 3WOD . "Rna Polymerase-gp39 Complex" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 19 no PDB 4G7H . "Crystal Structure Of Thermus Thermophilus Transcription Initiation Complex" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 20 no PDB 4G7O . "Crystal Structure Of Thermus Thermophilus Transcription Initiation Complex Containing 2 Nt Of Rna" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 21 no PDB 4G7Z . "Crystal Structure Of Thermus Thermophilus Transcription Initiation Complex Containing 5-Bru At Template-Strand Position +1" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 22 no PDB 4GZY . "Crystal Structures Of Bacterial Rna Polymerase Paused Elongation Complexes" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 23 no PDB 4GZZ . "Crystal Structures Of Bacterial Rna Polymerase Paused Elongation Complexes" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 24 no PDB 4MQ9 . "Crystal Structure Of Thermus Thermophilus Rna Polymerase Holoenzyme In Complex With Ge23077" . . . . . 98.78 314 100.00 100.00 1.60e-42 . . . . 4583 1 25 no PDB 4OIN . "Crystal Structure Of Thermus Thermophilus Transcription Initiation Complex Soaked With Ge23077" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 26 no PDB 4OIO . "Crystal Structure Of Thermus Thermophilus Pre-insertion Substrate Complex For De Novo Transcription Initiation" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 27 no PDB 4OIP . "Crystal Structure Of Thermus Thermophilus Transcription Initiation Complex Soaked With Ge23077, Atp, And Cmpcpp" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 28 no PDB 4OIQ . "Crystal Structure Of Thermus Thermophilus Transcription Initiation Complex Soaked With Ge23077 And Rifampicin" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 29 no PDB 4OIR . "Crystal Structure Of Thermus Thermophilus Rna Polymerase Transcription Initiation Complex Soaked With Ge23077 And Rifamycin Sv" . . . . . 87.80 305 100.00 100.00 4.65e-36 . . . . 4583 1 30 no PDB 4Q4Z . "Thermus Thermophilus Rna Polymerase De Novo Transcription Initiation Complex" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 31 no PDB 4Q5S . "Thermus Thermophilus Rna Polymerase Initially Transcribing Complex Containing 6-mer Rna" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 32 no PDB 4WQS . "Thermus Thermophilus Rna Polymerase Backtracked Complex" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 33 no PDB 4WQT . "Thermus Thermophilus Rna Polymerase Complexed With An Rna Cleavage Stimulating Factor (a Grea/gfh1 Chimeric Protein)" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 34 no DBJ BAA75549 . "RNA polymerase alpha subunit [Thermus thermophilus]" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 35 no DBJ BAA88567 . "C-terminal domain of the RNA polymerase alpha subunit [synthetic construct]" . . . . . 100.00 85 100.00 100.00 6.04e-45 . . . . 4583 1 36 no DBJ BAD71487 . "DNA-directed RNA polymerase alpha chain [Thermus thermophilus HB8]" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 37 no GB AAS81642 . "DNA-directed RNA polymerase alpha chain [Thermus thermophilus HB27]" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 38 no GB AEG34077 . "DNA-directed RNA polymerase subunit alpha [Thermus thermophilus SG0.5JP17-16]" . . . . . 100.00 315 100.00 100.00 4.51e-43 . . . . 4583 1 39 no GB AFH38290 . "DNA-directed RNA polymerase, alpha subunit [Thermus thermophilus JL-18]" . . . . . 100.00 315 98.78 98.78 2.06e-42 . . . . 4583 1 40 no GB EIA38525 . "DNA-directed RNA polymerase subunit alpha [Thermus sp. RL]" . . . . . 100.00 315 100.00 100.00 4.51e-43 . . . . 4583 1 41 no PIR JE0397 . "DNA-directed RNA polymerase (EC 2.7.7.6) alpha chain - Thermus aquaticus (strain HB8)" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 42 no REF WP_008633361 . "MULTISPECIES: DNA-directed RNA polymerase subunit alpha [Thermus]" . . . . . 100.00 315 100.00 100.00 4.51e-43 . . . . 4583 1 43 no REF WP_011173698 . "DNA-directed RNA polymerase subunit alpha [Thermus thermophilus]" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 44 no REF WP_014629067 . "DNA-directed RNA polymerase subunit alpha [Thermus thermophilus]" . . . . . 100.00 315 98.78 98.78 2.06e-42 . . . . 4583 1 45 no REF YP_144930 . "DNA-directed RNA polymerase subunit alpha [Thermus thermophilus HB8]" . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 46 no SP Q5SHR6 . "RecName: Full=DNA-directed RNA polymerase subunit alpha; Short=RNAP subunit alpha; AltName: Full=RNA polymerase subunit alpha; " . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 47 no SP Q72I32 . "RecName: Full=DNA-directed RNA polymerase subunit alpha; Short=RNAP subunit alpha; AltName: Full=RNA polymerase subunit alpha; " . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 48 no SP Q9Z9H6 . "RecName: Full=DNA-directed RNA polymerase subunit alpha; Short=RNAP subunit alpha; AltName: Full=RNA polymerase subunit alpha; " . . . . . 100.00 315 100.00 100.00 4.80e-43 . . . . 4583 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RNA POLYMERASE ALPHA SUBUNIT' common 4583 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 1 234 ALA . 4583 1 2 235 ALA . 4583 1 3 236 PRO . 4583 1 4 237 GLU . 4583 1 5 238 GLU . 4583 1 6 239 ALA . 4583 1 7 240 LYS . 4583 1 8 241 GLU . 4583 1 9 242 PRO . 4583 1 10 243 GLU . 4583 1 11 244 ALA . 4583 1 12 245 PRO . 4583 1 13 246 PRO . 4583 1 14 247 GLU . 4583 1 15 248 GLN . 4583 1 16 249 GLU . 4583 1 17 250 GLU . 4583 1 18 251 GLU . 4583 1 19 252 LEU . 4583 1 20 253 ASP . 4583 1 21 254 LEU . 4583 1 22 255 PRO . 4583 1 23 256 LEU . 4583 1 24 257 GLU . 4583 1 25 258 GLU . 4583 1 26 259 LEU . 4583 1 27 260 GLY . 4583 1 28 261 LEU . 4583 1 29 262 SER . 4583 1 30 263 THR . 4583 1 31 264 ARG . 4583 1 32 265 VAL . 4583 1 33 266 LEU . 4583 1 34 267 HIS . 4583 1 35 268 SER . 4583 1 36 269 LEU . 4583 1 37 270 LYS . 4583 1 38 271 GLU . 4583 1 39 272 GLU . 4583 1 40 273 GLY . 4583 1 41 274 ILE . 4583 1 42 275 GLU . 4583 1 43 276 SER . 4583 1 44 277 VAL . 4583 1 45 278 ARG . 4583 1 46 279 ALA . 4583 1 47 280 LEU . 4583 1 48 281 LEU . 4583 1 49 282 ALA . 4583 1 50 283 LEU . 4583 1 51 284 ASN . 4583 1 52 285 LEU . 4583 1 53 286 LYS . 4583 1 54 287 ASP . 4583 1 55 288 LEU . 4583 1 56 289 LYS . 4583 1 57 290 ASN . 4583 1 58 291 ILE . 4583 1 59 292 PRO . 4583 1 60 293 GLY . 4583 1 61 294 ILE . 4583 1 62 295 GLY . 4583 1 63 296 GLU . 4583 1 64 297 ARG . 4583 1 65 298 SER . 4583 1 66 299 LEU . 4583 1 67 300 GLU . 4583 1 68 301 GLU . 4583 1 69 302 ILE . 4583 1 70 303 LYS . 4583 1 71 304 GLU . 4583 1 72 305 ALA . 4583 1 73 306 LEU . 4583 1 74 307 GLU . 4583 1 75 308 LYS . 4583 1 76 309 LYS . 4583 1 77 310 GLY . 4583 1 78 311 PHE . 4583 1 79 312 THR . 4583 1 80 313 LEU . 4583 1 81 314 LYS . 4583 1 82 315 GLU . 4583 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 . ALA 1 1 4583 1 . ALA 2 2 4583 1 . PRO 3 3 4583 1 . GLU 4 4 4583 1 . GLU 5 5 4583 1 . ALA 6 6 4583 1 . LYS 7 7 4583 1 . GLU 8 8 4583 1 . PRO 9 9 4583 1 . GLU 10 10 4583 1 . ALA 11 11 4583 1 . PRO 12 12 4583 1 . PRO 13 13 4583 1 . GLU 14 14 4583 1 . GLN 15 15 4583 1 . GLU 16 16 4583 1 . GLU 17 17 4583 1 . GLU 18 18 4583 1 . LEU 19 19 4583 1 . ASP 20 20 4583 1 . LEU 21 21 4583 1 . PRO 22 22 4583 1 . LEU 23 23 4583 1 . GLU 24 24 4583 1 . GLU 25 25 4583 1 . LEU 26 26 4583 1 . GLY 27 27 4583 1 . LEU 28 28 4583 1 . SER 29 29 4583 1 . THR 30 30 4583 1 . ARG 31 31 4583 1 . VAL 32 32 4583 1 . LEU 33 33 4583 1 . HIS 34 34 4583 1 . SER 35 35 4583 1 . LEU 36 36 4583 1 . LYS 37 37 4583 1 . GLU 38 38 4583 1 . GLU 39 39 4583 1 . GLY 40 40 4583 1 . ILE 41 41 4583 1 . GLU 42 42 4583 1 . SER 43 43 4583 1 . VAL 44 44 4583 1 . ARG 45 45 4583 1 . ALA 46 46 4583 1 . LEU 47 47 4583 1 . LEU 48 48 4583 1 . ALA 49 49 4583 1 . LEU 50 50 4583 1 . ASN 51 51 4583 1 . LEU 52 52 4583 1 . LYS 53 53 4583 1 . ASP 54 54 4583 1 . LEU 55 55 4583 1 . LYS 56 56 4583 1 . ASN 57 57 4583 1 . ILE 58 58 4583 1 . PRO 59 59 4583 1 . GLY 60 60 4583 1 . ILE 61 61 4583 1 . GLY 62 62 4583 1 . GLU 63 63 4583 1 . ARG 64 64 4583 1 . SER 65 65 4583 1 . LEU 66 66 4583 1 . GLU 67 67 4583 1 . GLU 68 68 4583 1 . ILE 69 69 4583 1 . LYS 70 70 4583 1 . GLU 71 71 4583 1 . ALA 72 72 4583 1 . LEU 73 73 4583 1 . GLU 74 74 4583 1 . LYS 75 75 4583 1 . LYS 76 76 4583 1 . GLY 77 77 4583 1 . PHE 78 78 4583 1 . THR 79 79 4583 1 . LEU 80 80 4583 1 . LYS 81 81 4583 1 . GLU 82 82 4583 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 4583 _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 $RNA_POLYMERASE . 274 . . 'Thermus thermophilus' . . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . . . . . . . . . 4583 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 4583 _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 $RNA_POLYMERASE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET15 . . . . . . 4583 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4583 _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 'RNA POLYMERASE ALPHA SUBUNIT' '[U-13C; U-15N]' . . 1 $RNA_POLYMERASE . . 2 . . mM . . . . 4583 1 2 phosphate . . . . . . . 20 . . mM . . . . 4583 1 3 KCl . . . . . . . 30 . . mM . . . . 4583 1 4 H2O . . . . . . . 90 . . % . . . . 4583 1 5 D2O . . . . . . . 10 . . % . . . . 4583 1 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 4583 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . n/a 4583 1 temperature 310 . K 4583 1 'ionic strength' 50 . mM 4583 1 pressure 1 . atm 4583 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 4583 _Software.ID 1 _Software.Name NMRPIPE _Software.Version . _Software.Details 'BAX, A' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 4583 1 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 4583 _Software.ID 2 _Software.Name X-PLOR _Software.Version 3.1 _Software.Details 'BRUNGER, A. T.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4583 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4583 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4583 _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 Bruker DMX . 600 . . . 4583 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 4583 _Experiment_list.ID 1 _Experiment_list.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 4583 _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 . . . . . . ppm 0 . . . . . . . . . . . . 4583 1 C 13 . . . . . . ppm 0 . . . . . . . . . . . . 4583 1 N 15 . . . . . . ppm 0 . . . . . . . . . . . . 4583 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 4583 _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 . 4583 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA N N 15 128.80 . . . . . . . . . . . 4583 1 2 . 1 1 1 1 ALA H H 1 8.33 . . . . . . . . . . . 4583 1 3 . 1 1 1 1 ALA CA C 13 52.13 . . . . . . . . . . . 4583 1 4 . 1 1 1 1 ALA HA H 1 4.31 . . . . . . . . . . . 4583 1 5 . 1 1 1 1 ALA CB C 13 19.18 . . . . . . . . . . . 4583 1 6 . 1 1 1 1 ALA HB1 H 1 1.37 . . . . . . . . . . . 4583 1 7 . 1 1 1 1 ALA HB2 H 1 1.37 . . . . . . . . . . . 4583 1 8 . 1 1 1 1 ALA HB3 H 1 1.37 . . . . . . . . . . . 4583 1 9 . 1 1 2 2 ALA N N 15 125.57 . . . . . . . . . . . 4583 1 10 . 1 1 2 2 ALA H H 1 8.17 . . . . . . . . . . . 4583 1 11 . 1 1 2 2 ALA CA C 13 50.31 . . . . . . . . . . . 4583 1 12 . 1 1 2 2 ALA HA H 1 4.59 . . . . . . . . . . . 4583 1 13 . 1 1 2 2 ALA CB C 13 18.37 . . . . . . . . . . . 4583 1 14 . 1 1 2 2 ALA HB1 H 1 1.35 . . . . . . . . . . . 4583 1 15 . 1 1 2 2 ALA HB2 H 1 1.35 . . . . . . . . . . . 4583 1 16 . 1 1 2 2 ALA HB3 H 1 1.35 . . . . . . . . . . . 4583 1 17 . 1 1 3 3 PRO N N 15 136.32 . . . . . . . . . . . 4583 1 18 . 1 1 3 3 PRO CA C 13 63.56 . . . . . . . . . . . 4583 1 19 . 1 1 3 3 PRO HA H 1 4.40 . . . . . . . . . . . 4583 1 20 . 1 1 3 3 PRO CB C 13 32.19 . . . . . . . . . . . 4583 1 21 . 1 1 3 3 PRO HB2 H 1 2.30 . . . . . . . . . . . 4583 1 22 . 1 1 3 3 PRO HB3 H 1 1.92 . . . . . . . . . . . 4583 1 23 . 1 1 3 3 PRO HG2 H 1 2.03 . . . . . . . . . . . 4583 1 24 . 1 1 3 3 PRO HD2 H 1 3.80 . . . . . . . . . . . 4583 1 25 . 1 1 3 3 PRO HD3 H 1 3.69 . . . . . . . . . . . 4583 1 26 . 1 1 3 3 PRO CG C 13 27.44 . . . . . . . . . . . 4583 1 27 . 1 1 3 3 PRO CD C 13 50.56 . . . . . . . . . . . 4583 1 28 . 1 1 4 4 GLU N N 15 121.09 . . . . . . . . . . . 4583 1 29 . 1 1 4 4 GLU H H 1 8.47 . . . . . . . . . . . 4583 1 30 . 1 1 4 4 GLU CA C 13 56.94 . . . . . . . . . . . 4583 1 31 . 1 1 4 4 GLU HA H 1 4.10 . . . . . . . . . . . 4583 1 32 . 1 1 4 4 GLU CB C 13 30.04 . . . . . . . . . . . 4583 1 33 . 1 1 4 4 GLU HG2 H 1 2.48 . . . . . . . . . . . 4583 1 34 . 1 1 4 4 GLU HG3 H 1 2.24 . . . . . . . . . . . 4583 1 35 . 1 1 4 4 GLU CG C 13 36.63 . . . . . . . . . . . 4583 1 36 . 1 1 5 5 GLU N N 15 122.26 . . . . . . . . . . . 4583 1 37 . 1 1 5 5 GLU H H 1 8.22 . . . . . . . . . . . 4583 1 38 . 1 1 5 5 GLU CA C 13 56.55 . . . . . . . . . . . 4583 1 39 . 1 1 5 5 GLU HA H 1 4.25 . . . . . . . . . . . 4583 1 40 . 1 1 5 5 GLU CB C 13 30.33 . . . . . . . . . . . 4583 1 41 . 1 1 5 5 GLU HB2 H 1 2.02 . . . . . . . . . . . 4583 1 42 . 1 1 5 5 GLU HB3 H 1 1.96 . . . . . . . . . . . 4583 1 43 . 1 1 5 5 GLU HG2 H 1 2.21 . . . . . . . . . . . 4583 1 44 . 1 1 5 5 GLU CG C 13 34.23 . . . . . . . . . . . 4583 1 45 . 1 1 6 6 ALA N N 15 125.98 . . . . . . . . . . . 4583 1 46 . 1 1 6 6 ALA H H 1 8.17 . . . . . . . . . . . 4583 1 47 . 1 1 6 6 ALA CA C 13 52.33 . . . . . . . . . . . 4583 1 48 . 1 1 6 6 ALA HA H 1 4.30 . . . . . . . . . . . 4583 1 49 . 1 1 6 6 ALA CB C 13 18.94 . . . . . . . . . . . 4583 1 50 . 1 1 6 6 ALA HB1 H 1 1.35 . . . . . . . . . . . 4583 1 51 . 1 1 6 6 ALA HB2 H 1 1.35 . . . . . . . . . . . 4583 1 52 . 1 1 6 6 ALA HB3 H 1 1.35 . . . . . . . . . . . 4583 1 53 . 1 1 7 7 LYS N N 15 121.80 . . . . . . . . . . . 4583 1 54 . 1 1 7 7 LYS H H 1 8.11 . . . . . . . . . . . 4583 1 55 . 1 1 7 7 LYS CA C 13 55.66 . . . . . . . . . . . 4583 1 56 . 1 1 7 7 LYS HA H 1 4.33 . . . . . . . . . . . 4583 1 57 . 1 1 7 7 LYS CB C 13 33.52 . . . . . . . . . . . 4583 1 58 . 1 1 7 7 LYS HB2 H 1 1.79 . . . . . . . . . . . 4583 1 59 . 1 1 7 7 LYS HB3 H 1 1.72 . . . . . . . . . . . 4583 1 60 . 1 1 7 7 LYS HG2 H 1 1.42 . . . . . . . . . . . 4583 1 61 . 1 1 7 7 LYS HD2 H 1 1.67 . . . . . . . . . . . 4583 1 62 . 1 1 7 7 LYS HE2 H 1 2.99 . . . . . . . . . . . 4583 1 63 . 1 1 7 7 LYS CG C 13 24.55 . . . . . . . . . . . 4583 1 64 . 1 1 7 7 LYS CD C 13 29.04 . . . . . . . . . . . 4583 1 65 . 1 1 7 7 LYS CE C 13 42.06 . . . . . . . . . . . 4583 1 66 . 1 1 8 8 GLU N N 15 124.55 . . . . . . . . . . . 4583 1 67 . 1 1 8 8 GLU H H 1 8.38 . . . . . . . . . . . 4583 1 68 . 1 1 8 8 GLU CA C 13 54.69 . . . . . . . . . . . 4583 1 69 . 1 1 8 8 GLU HA H 1 4.54 . . . . . . . . . . . 4583 1 70 . 1 1 8 8 GLU CB C 13 29.60 . . . . . . . . . . . 4583 1 71 . 1 1 8 8 GLU HB2 H 1 2.04 . . . . . . . . . . . 4583 1 72 . 1 1 8 8 GLU HB3 H 1 1.89 . . . . . . . . . . . 4583 1 73 . 1 1 8 8 GLU HG2 H 1 2.30 . . . . . . . . . . . 4583 1 74 . 1 1 8 8 GLU CG C 13 36.00 . . . . . . . . . . . 4583 1 75 . 1 1 9 9 PRO N N 15 137.42 . . . . . . . . . . . 4583 1 76 . 1 1 9 9 PRO CA C 13 63.16 . . . . . . . . . . . 4583 1 77 . 1 1 9 9 PRO HA H 1 4.40 . . . . . . . . . . . 4583 1 78 . 1 1 10 10 GLU N N 15 121.89 . . . . . . . . . . . 4583 1 79 . 1 1 10 10 GLU H H 1 8.35 . . . . . . . . . . . 4583 1 80 . 1 1 10 10 GLU CA C 13 56.26 . . . . . . . . . . . 4583 1 81 . 1 1 10 10 GLU HA H 1 4.23 . . . . . . . . . . . 4583 1 82 . 1 1 10 10 GLU CB C 13 30.53 . . . . . . . . . . . 4583 1 83 . 1 1 10 10 GLU HB2 H 1 1.93 . . . . . . . . . . . 4583 1 84 . 1 1 10 10 GLU HG2 H 1 2.26 . . . . . . . . . . . 4583 1 85 . 1 1 11 11 ALA N N 15 127.18 . . . . . . . . . . . 4583 1 86 . 1 1 11 11 ALA H H 1 8.20 . . . . . . . . . . . 4583 1 87 . 1 1 11 11 ALA CA C 13 50.27 . . . . . . . . . . . 4583 1 88 . 1 1 11 11 ALA HA H 1 4.59 . . . . . . . . . . . 4583 1 89 . 1 1 11 11 ALA CB C 13 18.37 . . . . . . . . . . . 4583 1 90 . 1 1 11 11 ALA HB1 H 1 1.35 . . . . . . . . . . . 4583 1 91 . 1 1 11 11 ALA HB2 H 1 1.35 . . . . . . . . . . . 4583 1 92 . 1 1 11 11 ALA HB3 H 1 1.35 . . . . . . . . . . . 4583 1 93 . 1 1 12 12 PRO N N 15 137.44 . . . . . . . . . . . 4583 1 94 . 1 1 12 12 PRO CA C 13 61.42 . . . . . . . . . . . 4583 1 95 . 1 1 12 12 PRO HA H 1 4.70 . . . . . . . . . . . 4583 1 96 . 1 1 12 12 PRO CB C 13 30.94 . . . . . . . . . . . 4583 1 97 . 1 1 12 12 PRO HB2 H 1 2.35 . . . . . . . . . . . 4583 1 98 . 1 1 12 12 PRO HB3 H 1 1.93 . . . . . . . . . . . 4583 1 99 . 1 1 12 12 PRO HG2 H 1 2.04 . . . . . . . . . . . 4583 1 100 . 1 1 12 12 PRO HD2 H 1 3.81 . . . . . . . . . . . 4583 1 101 . 1 1 12 12 PRO HD3 H 1 3.63 . . . . . . . . . . . 4583 1 102 . 1 1 12 12 PRO CG C 13 27.37 . . . . . . . . . . . 4583 1 103 . 1 1 12 12 PRO CD C 13 50.54 . . . . . . . . . . . 4583 1 104 . 1 1 13 13 PRO N N 15 135.89 . . . . . . . . . . . 4583 1 105 . 1 1 13 13 PRO CA C 13 63.02 . . . . . . . . . . . 4583 1 106 . 1 1 13 13 PRO HA H 1 4.43 . . . . . . . . . . . 4583 1 107 . 1 1 14 14 GLU N N 15 121.44 . . . . . . . . . . . 4583 1 108 . 1 1 14 14 GLU H H 1 8.44 . . . . . . . . . . . 4583 1 109 . 1 1 14 14 GLU CA C 13 56.81 . . . . . . . . . . . 4583 1 110 . 1 1 14 14 GLU HA H 1 4.23 . . . . . . . . . . . 4583 1 111 . 1 1 14 14 GLU CB C 13 30.15 . . . . . . . . . . . 4583 1 112 . 1 1 14 14 GLU HB2 H 1 2.04 . . . . . . . . . . . 4583 1 113 . 1 1 14 14 GLU HB3 H 1 1.95 . . . . . . . . . . . 4583 1 114 . 1 1 14 14 GLU HG2 H 1 2.27 . . . . . . . . . . . 4583 1 115 . 1 1 14 14 GLU CG C 13 36.41 . . . . . . . . . . . 4583 1 116 . 1 1 15 15 GLN N N 15 121.67 . . . . . . . . . . . 4583 1 117 . 1 1 15 15 GLN H H 1 8.29 . . . . . . . . . . . 4583 1 118 . 1 1 15 15 GLN CA C 13 55.96 . . . . . . . . . . . 4583 1 119 . 1 1 15 15 GLN HA H 1 4.36 . . . . . . . . . . . 4583 1 120 . 1 1 15 15 GLN CB C 13 29.71 . . . . . . . . . . . 4583 1 121 . 1 1 15 15 GLN HB2 H 1 2.11 . . . . . . . . . . . 4583 1 122 . 1 1 15 15 GLN HB3 H 1 2.01 . . . . . . . . . . . 4583 1 123 . 1 1 15 15 GLN HG2 H 1 2.32 . . . . . . . . . . . 4583 1 124 . 1 1 15 15 GLN HE21 H 1 7.49 . . . . . . . . . . . 4583 1 125 . 1 1 15 15 GLN HE22 H 1 6.77 . . . . . . . . . . . 4583 1 126 . 1 1 15 15 GLN CG C 13 33.91 . . . . . . . . . . . 4583 1 127 . 1 1 15 15 GLN NE2 N 15 112.64 . . . . . . . . . . . 4583 1 128 . 1 1 16 16 GLU N N 15 123.31 . . . . . . . . . . . 4583 1 129 . 1 1 16 16 GLU H H 1 8.40 . . . . . . . . . . . 4583 1 130 . 1 1 16 16 GLU CA C 13 57.04 . . . . . . . . . . . 4583 1 131 . 1 1 16 16 GLU HA H 1 4.25 . . . . . . . . . . . 4583 1 132 . 1 1 16 16 GLU HB2 H 1 1.98 . . . . . . . . . . . 4583 1 133 . 1 1 16 16 GLU HG2 H 1 2.26 . . . . . . . . . . . 4583 1 134 . 1 1 17 17 GLU N N 15 122.41 . . . . . . . . . . . 4583 1 135 . 1 1 17 17 GLU H H 1 8.42 . . . . . . . . . . . 4583 1 136 . 1 1 17 17 GLU CA C 13 56.97 . . . . . . . . . . . 4583 1 137 . 1 1 17 17 GLU HA H 1 4.26 . . . . . . . . . . . 4583 1 138 . 1 1 17 17 GLU CB C 13 30.28 . . . . . . . . . . . 4583 1 139 . 1 1 17 17 GLU HB2 H 1 1.99 . . . . . . . . . . . 4583 1 140 . 1 1 17 17 GLU HG2 H 1 2.27 . . . . . . . . . . . 4583 1 141 . 1 1 18 18 GLU N N 15 122.31 . . . . . . . . . . . 4583 1 142 . 1 1 18 18 GLU H H 1 8.42 . . . . . . . . . . . 4583 1 143 . 1 1 18 18 GLU CA C 13 57.04 . . . . . . . . . . . 4583 1 144 . 1 1 18 18 GLU HA H 1 4.31 . . . . . . . . . . . 4583 1 145 . 1 1 18 18 GLU CB C 13 29.80 . . . . . . . . . . . 4583 1 146 . 1 1 18 18 GLU HB2 H 1 2.01 . . . . . . . . . . . 4583 1 147 . 1 1 18 18 GLU HG2 H 1 2.29 . . . . . . . . . . . 4583 1 148 . 1 1 19 19 LEU N N 15 121.90 . . . . . . . . . . . 4583 1 149 . 1 1 19 19 LEU H H 1 7.98 . . . . . . . . . . . 4583 1 150 . 1 1 19 19 LEU CA C 13 55.83 . . . . . . . . . . . 4583 1 151 . 1 1 19 19 LEU HA H 1 4.16 . . . . . . . . . . . 4583 1 152 . 1 1 19 19 LEU CB C 13 42.64 . . . . . . . . . . . 4583 1 153 . 1 1 19 19 LEU HB2 H 1 1.65 . . . . . . . . . . . 4583 1 154 . 1 1 19 19 LEU HB3 H 1 1.43 . . . . . . . . . . . 4583 1 155 . 1 1 19 19 LEU HG H 1 1.63 . . . . . . . . . . . 4583 1 156 . 1 1 19 19 LEU HD11 H 1 0.90 . . . . . . . . . . . 4583 1 157 . 1 1 19 19 LEU HD12 H 1 0.90 . . . . . . . . . . . 4583 1 158 . 1 1 19 19 LEU HD13 H 1 0.90 . . . . . . . . . . . 4583 1 159 . 1 1 19 19 LEU HD21 H 1 0.77 . . . . . . . . . . . 4583 1 160 . 1 1 19 19 LEU HD22 H 1 0.77 . . . . . . . . . . . 4583 1 161 . 1 1 19 19 LEU HD23 H 1 0.77 . . . . . . . . . . . 4583 1 162 . 1 1 19 19 LEU CG C 13 27.20 . . . . . . . . . . . 4583 1 163 . 1 1 19 19 LEU CD1 C 13 24.97 . . . . . . . . . . . 4583 1 164 . 1 1 19 19 LEU CD2 C 13 24.02 . . . . . . . . . . . 4583 1 165 . 1 1 20 20 ASP N N 15 121.00 . . . . . . . . . . . 4583 1 166 . 1 1 20 20 ASP H H 1 8.12 . . . . . . . . . . . 4583 1 167 . 1 1 20 20 ASP CA C 13 53.37 . . . . . . . . . . . 4583 1 168 . 1 1 20 20 ASP HA H 1 4.82 . . . . . . . . . . . 4583 1 169 . 1 1 20 20 ASP CB C 13 41.63 . . . . . . . . . . . 4583 1 170 . 1 1 20 20 ASP HB2 H 1 2.78 . . . . . . . . . . . 4583 1 171 . 1 1 20 20 ASP HB3 H 1 2.51 . . . . . . . . . . . 4583 1 172 . 1 1 21 21 LEU N N 15 123.47 . . . . . . . . . . . 4583 1 173 . 1 1 21 21 LEU H H 1 7.91 . . . . . . . . . . . 4583 1 174 . 1 1 21 21 LEU CA C 13 52.92 . . . . . . . . . . . 4583 1 175 . 1 1 21 21 LEU HA H 1 4.64 . . . . . . . . . . . 4583 1 176 . 1 1 21 21 LEU CB C 13 43.92 . . . . . . . . . . . 4583 1 177 . 1 1 21 21 LEU HB2 H 1 1.56 . . . . . . . . . . . 4583 1 178 . 1 1 21 21 LEU HG H 1 1.77 . . . . . . . . . . . 4583 1 179 . 1 1 21 21 LEU HD11 H 1 1.02 . . . . . . . . . . . 4583 1 180 . 1 1 21 21 LEU HD12 H 1 1.02 . . . . . . . . . . . 4583 1 181 . 1 1 21 21 LEU HD13 H 1 1.02 . . . . . . . . . . . 4583 1 182 . 1 1 21 21 LEU HD21 H 1 0.95 . . . . . . . . . . . 4583 1 183 . 1 1 21 21 LEU HD22 H 1 0.95 . . . . . . . . . . . 4583 1 184 . 1 1 21 21 LEU HD23 H 1 0.95 . . . . . . . . . . . 4583 1 185 . 1 1 21 21 LEU CG C 13 26.66 . . . . . . . . . . . 4583 1 186 . 1 1 21 21 LEU CD1 C 13 25.27 . . . . . . . . . . . 4583 1 187 . 1 1 21 21 LEU CD2 C 13 17.45 . . . . . . . . . . . 4583 1 188 . 1 1 22 22 PRO N N 15 136.64 . . . . . . . . . . . 4583 1 189 . 1 1 22 22 PRO CA C 13 61.81 . . . . . . . . . . . 4583 1 190 . 1 1 22 22 PRO HA H 1 4.42 . . . . . . . . . . . 4583 1 191 . 1 1 22 22 PRO CB C 13 32.45 . . . . . . . . . . . 4583 1 192 . 1 1 22 22 PRO HB2 H 1 2.56 . . . . . . . . . . . 4583 1 193 . 1 1 22 22 PRO HB3 H 1 2.13 . . . . . . . . . . . 4583 1 194 . 1 1 22 22 PRO HG2 H 1 2.13 . . . . . . . . . . . 4583 1 195 . 1 1 22 22 PRO HD2 H 1 3.98 . . . . . . . . . . . 4583 1 196 . 1 1 22 22 PRO CG C 13 27.85 . . . . . . . . . . . 4583 1 197 . 1 1 22 22 PRO CD C 13 51.34 . . . . . . . . . . . 4583 1 198 . 1 1 23 23 LEU N N 15 121.51 . . . . . . . . . . . 4583 1 199 . 1 1 23 23 LEU H H 1 7.99 . . . . . . . . . . . 4583 1 200 . 1 1 23 23 LEU CA C 13 57.47 . . . . . . . . . . . 4583 1 201 . 1 1 23 23 LEU HA H 1 3.70 . . . . . . . . . . . 4583 1 202 . 1 1 23 23 LEU CB C 13 42.40 . . . . . . . . . . . 4583 1 203 . 1 1 23 23 LEU HB2 H 1 1.39 . . . . . . . . . . . 4583 1 204 . 1 1 23 23 LEU HB3 H 1 1.22 . . . . . . . . . . . 4583 1 205 . 1 1 23 23 LEU HG H 1 1.28 . . . . . . . . . . . 4583 1 206 . 1 1 23 23 LEU HD11 H 1 0.72 . . . . . . . . . . . 4583 1 207 . 1 1 23 23 LEU HD12 H 1 0.72 . . . . . . . . . . . 4583 1 208 . 1 1 23 23 LEU HD13 H 1 0.72 . . . . . . . . . . . 4583 1 209 . 1 1 23 23 LEU HD21 H 1 0.63 . . . . . . . . . . . 4583 1 210 . 1 1 23 23 LEU HD22 H 1 0.63 . . . . . . . . . . . 4583 1 211 . 1 1 23 23 LEU HD23 H 1 0.63 . . . . . . . . . . . 4583 1 212 . 1 1 23 23 LEU CG C 13 26.97 . . . . . . . . . . . 4583 1 213 . 1 1 23 23 LEU CD1 C 13 26.60 . . . . . . . . . . . 4583 1 214 . 1 1 23 23 LEU CD2 C 13 24.00 . . . . . . . . . . . 4583 1 215 . 1 1 24 24 GLU N N 15 119.85 . . . . . . . . . . . 4583 1 216 . 1 1 24 24 GLU H H 1 9.89 . . . . . . . . . . . 4583 1 217 . 1 1 24 24 GLU CA C 13 60.81 . . . . . . . . . . . 4583 1 218 . 1 1 24 24 GLU HA H 1 3.87 . . . . . . . . . . . 4583 1 219 . 1 1 24 24 GLU CB C 13 29.27 . . . . . . . . . . . 4583 1 220 . 1 1 24 24 GLU HB2 H 1 2.04 . . . . . . . . . . . 4583 1 221 . 1 1 24 24 GLU HG2 H 1 2.57 . . . . . . . . . . . 4583 1 222 . 1 1 24 24 GLU HG3 H 1 2.29 . . . . . . . . . . . 4583 1 223 . 1 1 24 24 GLU CG C 13 37.87 . . . . . . . . . . . 4583 1 224 . 1 1 25 25 GLU N N 15 117.23 . . . . . . . . . . . 4583 1 225 . 1 1 25 25 GLU H H 1 7.65 . . . . . . . . . . . 4583 1 226 . 1 1 25 25 GLU CA C 13 57.16 . . . . . . . . . . . 4583 1 227 . 1 1 25 25 GLU HA H 1 4.27 . . . . . . . . . . . 4583 1 228 . 1 1 25 25 GLU CB C 13 29.46 . . . . . . . . . . . 4583 1 229 . 1 1 25 25 GLU HB2 H 1 2.30 . . . . . . . . . . . 4583 1 230 . 1 1 25 25 GLU HB3 H 1 1.92 . . . . . . . . . . . 4583 1 231 . 1 1 26 26 LEU N N 15 117.01 . . . . . . . . . . . 4583 1 232 . 1 1 26 26 LEU H H 1 7.71 . . . . . . . . . . . 4583 1 233 . 1 1 26 26 LEU CA C 13 55.37 . . . . . . . . . . . 4583 1 234 . 1 1 26 26 LEU HA H 1 4.22 . . . . . . . . . . . 4583 1 235 . 1 1 26 26 LEU CB C 13 42.72 . . . . . . . . . . . 4583 1 236 . 1 1 26 26 LEU HB2 H 1 1.76 . . . . . . . . . . . 4583 1 237 . 1 1 26 26 LEU HB3 H 1 1.54 . . . . . . . . . . . 4583 1 238 . 1 1 26 26 LEU HD11 H 1 0.80 . . . . . . . . . . . 4583 1 239 . 1 1 26 26 LEU HD12 H 1 0.80 . . . . . . . . . . . 4583 1 240 . 1 1 26 26 LEU HD13 H 1 0.80 . . . . . . . . . . . 4583 1 241 . 1 1 26 26 LEU HD21 H 1 0.77 . . . . . . . . . . . 4583 1 242 . 1 1 26 26 LEU HD22 H 1 0.77 . . . . . . . . . . . 4583 1 243 . 1 1 26 26 LEU HD23 H 1 0.77 . . . . . . . . . . . 4583 1 244 . 1 1 26 26 LEU CD1 C 13 25.61 . . . . . . . . . . . 4583 1 245 . 1 1 26 26 LEU CD2 C 13 23.28 . . . . . . . . . . . 4583 1 246 . 1 1 27 27 GLY N N 15 107.41 . . . . . . . . . . . 4583 1 247 . 1 1 27 27 GLY H H 1 7.72 . . . . . . . . . . . 4583 1 248 . 1 1 27 27 GLY CA C 13 46.46 . . . . . . . . . . . 4583 1 249 . 1 1 27 27 GLY HA2 H 1 3.95 . . . . . . . . . . . 4583 1 250 . 1 1 28 28 LEU N N 15 119.68 . . . . . . . . . . . 4583 1 251 . 1 1 28 28 LEU H H 1 7.94 . . . . . . . . . . . 4583 1 252 . 1 1 28 28 LEU CA C 13 53.78 . . . . . . . . . . . 4583 1 253 . 1 1 28 28 LEU HA H 1 4.25 . . . . . . . . . . . 4583 1 254 . 1 1 28 28 LEU CB C 13 43.37 . . . . . . . . . . . 4583 1 255 . 1 1 28 28 LEU HB2 H 1 1.67 . . . . . . . . . . . 4583 1 256 . 1 1 28 28 LEU HB3 H 1 1.39 . . . . . . . . . . . 4583 1 257 . 1 1 28 28 LEU HG H 1 1.52 . . . . . . . . . . . 4583 1 258 . 1 1 28 28 LEU HD11 H 1 0.73 . . . . . . . . . . . 4583 1 259 . 1 1 28 28 LEU HD12 H 1 0.73 . . . . . . . . . . . 4583 1 260 . 1 1 28 28 LEU HD13 H 1 0.73 . . . . . . . . . . . 4583 1 261 . 1 1 28 28 LEU HD21 H 1 0.77 . . . . . . . . . . . 4583 1 262 . 1 1 28 28 LEU HD22 H 1 0.77 . . . . . . . . . . . 4583 1 263 . 1 1 28 28 LEU HD23 H 1 0.77 . . . . . . . . . . . 4583 1 264 . 1 1 28 28 LEU CG C 13 26.81 . . . . . . . . . . . 4583 1 265 . 1 1 28 28 LEU CD1 C 13 25.98 . . . . . . . . . . . 4583 1 266 . 1 1 28 28 LEU CD2 C 13 23.33 . . . . . . . . . . . 4583 1 267 . 1 1 29 29 SER N N 15 118.81 . . . . . . . . . . . 4583 1 268 . 1 1 29 29 SER H H 1 9.39 . . . . . . . . . . . 4583 1 269 . 1 1 29 29 SER CA C 13 58.30 . . . . . . . . . . . 4583 1 270 . 1 1 29 29 SER HA H 1 4.29 . . . . . . . . . . . 4583 1 271 . 1 1 29 29 SER CB C 13 63.72 . . . . . . . . . . . 4583 1 272 . 1 1 29 29 SER HB2 H 1 4.19 . . . . . . . . . . . 4583 1 273 . 1 1 30 30 THR N N 15 117.60 . . . . . . . . . . . 4583 1 274 . 1 1 30 30 THR H H 1 8.53 . . . . . . . . . . . 4583 1 275 . 1 1 30 30 THR CA C 13 66.37 . . . . . . . . . . . 4583 1 276 . 1 1 30 30 THR HA H 1 3.80 . . . . . . . . . . . 4583 1 277 . 1 1 30 30 THR CB C 13 68.39 . . . . . . . . . . . 4583 1 278 . 1 1 30 30 THR HB H 1 4.10 . . . . . . . . . . . 4583 1 279 . 1 1 30 30 THR HG21 H 1 1.20 . . . . . . . . . . . 4583 1 280 . 1 1 30 30 THR HG22 H 1 1.20 . . . . . . . . . . . 4583 1 281 . 1 1 30 30 THR HG23 H 1 1.20 . . . . . . . . . . . 4583 1 282 . 1 1 30 30 THR CG2 C 13 21.98 . . . . . . . . . . . 4583 1 283 . 1 1 31 31 ARG N N 15 120.19 . . . . . . . . . . . 4583 1 284 . 1 1 31 31 ARG H H 1 8.35 . . . . . . . . . . . 4583 1 285 . 1 1 31 31 ARG CA C 13 59.42 . . . . . . . . . . . 4583 1 286 . 1 1 31 31 ARG HA H 1 4.16 . . . . . . . . . . . 4583 1 287 . 1 1 31 31 ARG CB C 13 30.01 . . . . . . . . . . . 4583 1 288 . 1 1 31 31 ARG HB2 H 1 1.88 . . . . . . . . . . . 4583 1 289 . 1 1 31 31 ARG HG2 H 1 1.70 . . . . . . . . . . . 4583 1 290 . 1 1 31 31 ARG HD2 H 1 3.22 . . . . . . . . . . . 4583 1 291 . 1 1 31 31 ARG CG C 13 26.96 . . . . . . . . . . . 4583 1 292 . 1 1 31 31 ARG CD C 13 43.07 . . . . . . . . . . . 4583 1 293 . 1 1 32 32 VAL N N 15 122.04 . . . . . . . . . . . 4583 1 294 . 1 1 32 32 VAL H H 1 7.17 . . . . . . . . . . . 4583 1 295 . 1 1 32 32 VAL CA C 13 66.42 . . . . . . . . . . . 4583 1 296 . 1 1 32 32 VAL HA H 1 3.54 . . . . . . . . . . . 4583 1 297 . 1 1 32 32 VAL CB C 13 31.46 . . . . . . . . . . . 4583 1 298 . 1 1 32 32 VAL HB H 1 2.13 . . . . . . . . . . . 4583 1 299 . 1 1 32 32 VAL HG11 H 1 1.03 . . . . . . . . . . . 4583 1 300 . 1 1 32 32 VAL HG12 H 1 1.03 . . . . . . . . . . . 4583 1 301 . 1 1 32 32 VAL HG13 H 1 1.03 . . . . . . . . . . . 4583 1 302 . 1 1 32 32 VAL HG21 H 1 0.88 . . . . . . . . . . . 4583 1 303 . 1 1 32 32 VAL HG22 H 1 0.88 . . . . . . . . . . . 4583 1 304 . 1 1 32 32 VAL HG23 H 1 0.88 . . . . . . . . . . . 4583 1 305 . 1 1 32 32 VAL CG1 C 13 24.29 . . . . . . . . . . . 4583 1 306 . 1 1 32 32 VAL CG2 C 13 22.16 . . . . . . . . . . . 4583 1 307 . 1 1 33 33 LEU N N 15 120.20 . . . . . . . . . . . 4583 1 308 . 1 1 33 33 LEU H H 1 8.33 . . . . . . . . . . . 4583 1 309 . 1 1 33 33 LEU CA C 13 58.73 . . . . . . . . . . . 4583 1 310 . 1 1 33 33 LEU HA H 1 3.79 . . . . . . . . . . . 4583 1 311 . 1 1 33 33 LEU CB C 13 41.9 . . . . . . . . . . . 4583 1 312 . 1 1 33 33 LEU HB2 H 1 1.76 . . . . . . . . . . . 4583 1 313 . 1 1 33 33 LEU HB3 H 1 1.60 . . . . . . . . . . . 4583 1 314 . 1 1 33 33 LEU HD11 H 1 0.89 . . . . . . . . . . . 4583 1 315 . 1 1 33 33 LEU HD12 H 1 0.89 . . . . . . . . . . . 4583 1 316 . 1 1 33 33 LEU HD13 H 1 0.89 . . . . . . . . . . . 4583 1 317 . 1 1 33 33 LEU HD21 H 1 0.81 . . . . . . . . . . . 4583 1 318 . 1 1 33 33 LEU HD22 H 1 0.81 . . . . . . . . . . . 4583 1 319 . 1 1 33 33 LEU HD23 H 1 0.81 . . . . . . . . . . . 4583 1 320 . 1 1 33 33 LEU CD1 C 13 25.19 . . . . . . . . . . . 4583 1 321 . 1 1 33 33 LEU CD2 C 13 25.21 . . . . . . . . . . . 4583 1 322 . 1 1 34 34 HIS N N 15 116.34 . . . . . . . . . . . 4583 1 323 . 1 1 34 34 HIS H H 1 8.46 . . . . . . . . . . . 4583 1 324 . 1 1 34 34 HIS CA C 13 59.47 . . . . . . . . . . . 4583 1 325 . 1 1 34 34 HIS HA H 1 4.24 . . . . . . . . . . . 4583 1 326 . 1 1 34 34 HIS CB C 13 29.18 . . . . . . . . . . . 4583 1 327 . 1 1 34 34 HIS HB2 H 1 3.29 . . . . . . . . . . . 4583 1 328 . 1 1 35 35 SER N N 15 116.39 . . . . . . . . . . . 4583 1 329 . 1 1 35 35 SER H H 1 7.87 . . . . . . . . . . . 4583 1 330 . 1 1 35 35 SER CA C 13 62.98 . . . . . . . . . . . 4583 1 331 . 1 1 35 35 SER HA H 1 4.17 . . . . . . . . . . . 4583 1 332 . 1 1 35 35 SER CB C 13 62.14 . . . . . . . . . . . 4583 1 333 . 1 1 35 35 SER HB2 H 1 4.00 . . . . . . . . . . . 4583 1 334 . 1 1 35 35 SER HB3 H 1 3.98 . . . . . . . . . . . 4583 1 335 . 1 1 36 36 LEU N N 15 120.51 . . . . . . . . . . . 4583 1 336 . 1 1 36 36 LEU H H 1 7.84 . . . . . . . . . . . 4583 1 337 . 1 1 36 36 LEU CA C 13 57.93 . . . . . . . . . . . 4583 1 338 . 1 1 36 36 LEU HA H 1 3.97 . . . . . . . . . . . 4583 1 339 . 1 1 36 36 LEU CB C 13 41.12 . . . . . . . . . . . 4583 1 340 . 1 1 36 36 LEU HB2 H 1 1.89 . . . . . . . . . . . 4583 1 341 . 1 1 36 36 LEU HB3 H 1 1.35 . . . . . . . . . . . 4583 1 342 . 1 1 36 36 LEU HG H 1 1.89 . . . . . . . . . . . 4583 1 343 . 1 1 36 36 LEU HD11 H 1 0.67 . . . . . . . . . . . 4583 1 344 . 1 1 36 36 LEU HD12 H 1 0.67 . . . . . . . . . . . 4583 1 345 . 1 1 36 36 LEU HD13 H 1 0.67 . . . . . . . . . . . 4583 1 346 . 1 1 36 36 LEU HD21 H 1 0.67 . . . . . . . . . . . 4583 1 347 . 1 1 36 36 LEU HD22 H 1 0.67 . . . . . . . . . . . 4583 1 348 . 1 1 36 36 LEU HD23 H 1 0.67 . . . . . . . . . . . 4583 1 349 . 1 1 36 36 LEU CG C 13 26.79 . . . . . . . . . . . 4583 1 350 . 1 1 36 36 LEU CD1 C 13 22.96 . . . . . . . . . . . 4583 1 351 . 1 1 36 36 LEU CD2 C 13 22.18 . . . . . . . . . . . 4583 1 352 . 1 1 37 37 LYS N N 15 120.99 . . . . . . . . . . . 4583 1 353 . 1 1 37 37 LYS H H 1 8.43 . . . . . . . . . . . 4583 1 354 . 1 1 37 37 LYS CA C 13 59.81 . . . . . . . . . . . 4583 1 355 . 1 1 37 37 LYS HA H 1 3.90 . . . . . . . . . . . 4583 1 356 . 1 1 37 37 LYS CB C 13 31.64 . . . . . . . . . . . 4583 1 357 . 1 1 37 37 LYS HB2 H 1 1.85 . . . . . . . . . . . 4583 1 358 . 1 1 37 37 LYS HG2 H 1 1.46 . . . . . . . . . . . 4583 1 359 . 1 1 37 37 LYS HE2 H 1 2.98 . . . . . . . . . . . 4583 1 360 . 1 1 37 37 LYS CG C 13 24.96 . . . . . . . . . . . 4583 1 361 . 1 1 38 38 GLU N N 15 121.08 . . . . . . . . . . . 4583 1 362 . 1 1 38 38 GLU H H 1 8.20 . . . . . . . . . . . 4583 1 363 . 1 1 38 38 GLU CA C 13 59.16 . . . . . . . . . . . 4583 1 364 . 1 1 38 38 GLU HA H 1 3.98 . . . . . . . . . . . 4583 1 365 . 1 1 38 38 GLU CB C 13 29.46 . . . . . . . . . . . 4583 1 366 . 1 1 38 38 GLU HB2 H 1 2.11 . . . . . . . . . . . 4583 1 367 . 1 1 38 38 GLU HB3 H 1 2.02 . . . . . . . . . . . 4583 1 368 . 1 1 39 39 GLU N N 15 117.66 . . . . . . . . . . . 4583 1 369 . 1 1 39 39 GLU H H 1 7.03 . . . . . . . . . . . 4583 1 370 . 1 1 39 39 GLU CA C 13 54.98 . . . . . . . . . . . 4583 1 371 . 1 1 39 39 GLU HA H 1 4.42 . . . . . . . . . . . 4583 1 372 . 1 1 39 39 GLU CB C 13 29.51 . . . . . . . . . . . 4583 1 373 . 1 1 39 39 GLU HB2 H 1 2.36 . . . . . . . . . . . 4583 1 374 . 1 1 39 39 GLU HB3 H 1 1.90 . . . . . . . . . . . 4583 1 375 . 1 1 39 39 GLU HG2 H 1 2.48 . . . . . . . . . . . 4583 1 376 . 1 1 39 39 GLU HG3 H 1 2.35 . . . . . . . . . . . 4583 1 377 . 1 1 39 39 GLU CG C 13 35.61 . . . . . . . . . . . 4583 1 378 . 1 1 40 40 GLY N N 15 107.34 . . . . . . . . . . . 4583 1 379 . 1 1 40 40 GLY H H 1 7.84 . . . . . . . . . . . 4583 1 380 . 1 1 40 40 GLY CA C 13 45.22 . . . . . . . . . . . 4583 1 381 . 1 1 40 40 GLY HA2 H 1 4.17 . . . . . . . . . . . 4583 1 382 . 1 1 41 41 ILE N N 15 123.39 . . . . . . . . . . . 4583 1 383 . 1 1 41 41 ILE H H 1 7.70 . . . . . . . . . . . 4583 1 384 . 1 1 41 41 ILE CA C 13 60.41 . . . . . . . . . . . 4583 1 385 . 1 1 41 41 ILE HA H 1 3.89 . . . . . . . . . . . 4583 1 386 . 1 1 41 41 ILE CB C 13 36.46 . . . . . . . . . . . 4583 1 387 . 1 1 41 41 ILE HB H 1 1.81 . . . . . . . . . . . 4583 1 388 . 1 1 41 41 ILE HG12 H 1 1.33 . . . . . . . . . . . 4583 1 389 . 1 1 41 41 ILE HG13 H 1 1.07 . . . . . . . . . . . 4583 1 390 . 1 1 41 41 ILE HG21 H 1 0.76 . . . . . . . . . . . 4583 1 391 . 1 1 41 41 ILE HG22 H 1 0.76 . . . . . . . . . . . 4583 1 392 . 1 1 41 41 ILE HG23 H 1 0.76 . . . . . . . . . . . 4583 1 393 . 1 1 41 41 ILE HD11 H 1 0.76 . . . . . . . . . . . 4583 1 394 . 1 1 41 41 ILE HD12 H 1 0.76 . . . . . . . . . . . 4583 1 395 . 1 1 41 41 ILE HD13 H 1 0.76 . . . . . . . . . . . 4583 1 396 . 1 1 41 41 ILE CG1 C 13 26.84 . . . . . . . . . . . 4583 1 397 . 1 1 41 41 ILE CG2 C 13 18.01 . . . . . . . . . . . 4583 1 398 . 1 1 41 41 ILE CD1 C 13 13.35 . . . . . . . . . . . 4583 1 399 . 1 1 42 42 GLU N N 15 120.86 . . . . . . . . . . . 4583 1 400 . 1 1 42 42 GLU H H 1 8.29 . . . . . . . . . . . 4583 1 401 . 1 1 42 42 GLU CA C 13 56.12 . . . . . . . . . . . 4583 1 402 . 1 1 42 42 GLU HA H 1 4.53 . . . . . . . . . . . 4583 1 403 . 1 1 42 42 GLU CB C 13 31.86 . . . . . . . . . . . 4583 1 404 . 1 1 42 42 GLU HB2 H 1 1.89 . . . . . . . . . . . 4583 1 405 . 1 1 42 42 GLU HG2 H 1 2.24 . . . . . . . . . . . 4583 1 406 . 1 1 42 42 GLU HG3 H 1 2.11 . . . . . . . . . . . 4583 1 407 . 1 1 42 42 GLU CG C 13 36.49 . . . . . . . . . . . 4583 1 408 . 1 1 43 43 SER N N 15 114.29 . . . . . . . . . . . 4583 1 409 . 1 1 43 43 SER H H 1 7.48 . . . . . . . . . . . 4583 1 410 . 1 1 43 43 SER CA C 13 56.09 . . . . . . . . . . . 4583 1 411 . 1 1 43 43 SER HA H 1 5.08 . . . . . . . . . . . 4583 1 412 . 1 1 43 43 SER CB C 13 66.91 . . . . . . . . . . . 4583 1 413 . 1 1 43 43 SER HB2 H 1 4.12 . . . . . . . . . . . 4583 1 414 . 1 1 43 43 SER HB3 H 1 3.78 . . . . . . . . . . . 4583 1 415 . 1 1 44 44 VAL N N 15 122.43 . . . . . . . . . . . 4583 1 416 . 1 1 44 44 VAL H H 1 8.72 . . . . . . . . . . . 4583 1 417 . 1 1 44 44 VAL CA C 13 67.45 . . . . . . . . . . . 4583 1 418 . 1 1 44 44 VAL HA H 1 3.31 . . . . . . . . . . . 4583 1 419 . 1 1 44 44 VAL CB C 13 31.36 . . . . . . . . . . . 4583 1 420 . 1 1 44 44 VAL HB H 1 2.03 . . . . . . . . . . . 4583 1 421 . 1 1 44 44 VAL HG11 H 1 0.84 . . . . . . . . . . . 4583 1 422 . 1 1 44 44 VAL HG12 H 1 0.84 . . . . . . . . . . . 4583 1 423 . 1 1 44 44 VAL HG13 H 1 0.84 . . . . . . . . . . . 4583 1 424 . 1 1 44 44 VAL HG21 H 1 0.34 . . . . . . . . . . . 4583 1 425 . 1 1 44 44 VAL HG22 H 1 0.34 . . . . . . . . . . . 4583 1 426 . 1 1 44 44 VAL HG23 H 1 0.34 . . . . . . . . . . . 4583 1 427 . 1 1 44 44 VAL CG1 C 13 24.77 . . . . . . . . . . . 4583 1 428 . 1 1 44 44 VAL CG2 C 13 21.31 . . . . . . . . . . . 4583 1 429 . 1 1 45 45 ARG N N 15 120.11 . . . . . . . . . . . 4583 1 430 . 1 1 45 45 ARG H H 1 8.89 . . . . . . . . . . . 4583 1 431 . 1 1 45 45 ARG CA C 13 59.74 . . . . . . . . . . . 4583 1 432 . 1 1 45 45 ARG HA H 1 3.62 . . . . . . . . . . . 4583 1 433 . 1 1 45 45 ARG CB C 13 29.91 . . . . . . . . . . . 4583 1 434 . 1 1 45 45 ARG HB2 H 1 1.84 . . . . . . . . . . . 4583 1 435 . 1 1 45 45 ARG HB3 H 1 1.62 . . . . . . . . . . . 4583 1 436 . 1 1 45 45 ARG HG2 H 1 1.47 . . . . . . . . . . . 4583 1 437 . 1 1 45 45 ARG HD2 H 1 3.18 . . . . . . . . . . . 4583 1 438 . 1 1 45 45 ARG HD3 H 1 3.05 . . . . . . . . . . . 4583 1 439 . 1 1 45 45 ARG CG C 13 27.48 . . . . . . . . . . . 4583 1 440 . 1 1 45 45 ARG CD C 13 43.08 . . . . . . . . . . . 4583 1 441 . 1 1 46 46 ALA N N 15 120.45 . . . . . . . . . . . 4583 1 442 . 1 1 46 46 ALA H H 1 7.34 . . . . . . . . . . . 4583 1 443 . 1 1 46 46 ALA CA C 13 54.39 . . . . . . . . . . . 4583 1 444 . 1 1 46 46 ALA HA H 1 4.08 . . . . . . . . . . . 4583 1 445 . 1 1 46 46 ALA CB C 13 19.42 . . . . . . . . . . . 4583 1 446 . 1 1 46 46 ALA HB1 H 1 1.54 . . . . . . . . . . . 4583 1 447 . 1 1 46 46 ALA HB2 H 1 1.54 . . . . . . . . . . . 4583 1 448 . 1 1 46 46 ALA HB3 H 1 1.54 . . . . . . . . . . . 4583 1 449 . 1 1 47 47 LEU N N 15 120.86 . . . . . . . . . . . 4583 1 450 . 1 1 47 47 LEU H H 1 7.46 . . . . . . . . . . . 4583 1 451 . 1 1 47 47 LEU CA C 13 57.81 . . . . . . . . . . . 4583 1 452 . 1 1 47 47 LEU HA H 1 3.97 . . . . . . . . . . . 4583 1 453 . 1 1 47 47 LEU CB C 13 42.28 . . . . . . . . . . . 4583 1 454 . 1 1 47 47 LEU HB2 H 1 2.04 . . . . . . . . . . . 4583 1 455 . 1 1 47 47 LEU HB3 H 1 1.34 . . . . . . . . . . . 4583 1 456 . 1 1 47 47 LEU HD11 H 1 0.74 . . . . . . . . . . . 4583 1 457 . 1 1 47 47 LEU HD12 H 1 0.74 . . . . . . . . . . . 4583 1 458 . 1 1 47 47 LEU HD13 H 1 0.74 . . . . . . . . . . . 4583 1 459 . 1 1 47 47 LEU CD1 C 13 26.85 . . . . . . . . . . . 4583 1 460 . 1 1 48 48 LEU N N 15 115.33 . . . . . . . . . . . 4583 1 461 . 1 1 48 48 LEU H H 1 8.09 . . . . . . . . . . . 4583 1 462 . 1 1 48 48 LEU CA C 13 55.83 . . . . . . . . . . . 4583 1 463 . 1 1 48 48 LEU HA H 1 4.07 . . . . . . . . . . . 4583 1 464 . 1 1 48 48 LEU CB C 13 41.63 . . . . . . . . . . . 4583 1 465 . 1 1 48 48 LEU HB2 H 1 1.60 . . . . . . . . . . . 4583 1 466 . 1 1 48 48 LEU HB3 H 1 1.53 . . . . . . . . . . . 4583 1 467 . 1 1 48 48 LEU HG H 1 1.63 . . . . . . . . . . . 4583 1 468 . 1 1 48 48 LEU HD11 H 1 0.71 . . . . . . . . . . . 4583 1 469 . 1 1 48 48 LEU HD12 H 1 0.71 . . . . . . . . . . . 4583 1 470 . 1 1 48 48 LEU HD13 H 1 0.71 . . . . . . . . . . . 4583 1 471 . 1 1 48 48 LEU HD21 H 1 0.47 . . . . . . . . . . . 4583 1 472 . 1 1 48 48 LEU HD22 H 1 0.47 . . . . . . . . . . . 4583 1 473 . 1 1 48 48 LEU HD23 H 1 0.47 . . . . . . . . . . . 4583 1 474 . 1 1 48 48 LEU CG C 13 26.65 . . . . . . . . . . . 4583 1 475 . 1 1 48 48 LEU CD1 C 13 26.81 . . . . . . . . . . . 4583 1 476 . 1 1 48 48 LEU CD2 C 13 26.01 . . . . . . . . . . . 4583 1 477 . 1 1 49 49 ALA N N 15 120.00 . . . . . . . . . . . 4583 1 478 . 1 1 49 49 ALA H H 1 7.07 . . . . . . . . . . . 4583 1 479 . 1 1 49 49 ALA CA C 13 52.74 . . . . . . . . . . . 4583 1 480 . 1 1 49 49 ALA HA H 1 4.22 . . . . . . . . . . . 4583 1 481 . 1 1 49 49 ALA CB C 13 18.71 . . . . . . . . . . . 4583 1 482 . 1 1 49 49 ALA HB1 H 1 1.43 . . . . . . . . . . . 4583 1 483 . 1 1 49 49 ALA HB2 H 1 1.43 . . . . . . . . . . . 4583 1 484 . 1 1 49 49 ALA HB3 H 1 1.43 . . . . . . . . . . . 4583 1 485 . 1 1 50 50 LEU N N 15 120.92 . . . . . . . . . . . 4583 1 486 . 1 1 50 50 LEU H H 1 7.44 . . . . . . . . . . . 4583 1 487 . 1 1 50 50 LEU CA C 13 54.55 . . . . . . . . . . . 4583 1 488 . 1 1 50 50 LEU HA H 1 4.44 . . . . . . . . . . . 4583 1 489 . 1 1 50 50 LEU CB C 13 42.71 . . . . . . . . . . . 4583 1 490 . 1 1 50 50 LEU HB2 H 1 1.96 . . . . . . . . . . . 4583 1 491 . 1 1 50 50 LEU HB3 H 1 1.47 . . . . . . . . . . . 4583 1 492 . 1 1 50 50 LEU HG H 1 1.89 . . . . . . . . . . . 4583 1 493 . 1 1 50 50 LEU HD11 H 1 0.88 . . . . . . . . . . . 4583 1 494 . 1 1 50 50 LEU HD12 H 1 0.88 . . . . . . . . . . . 4583 1 495 . 1 1 50 50 LEU HD13 H 1 0.88 . . . . . . . . . . . 4583 1 496 . 1 1 50 50 LEU HD21 H 1 0.82 . . . . . . . . . . . 4583 1 497 . 1 1 50 50 LEU HD22 H 1 0.82 . . . . . . . . . . . 4583 1 498 . 1 1 50 50 LEU HD23 H 1 0.82 . . . . . . . . . . . 4583 1 499 . 1 1 50 50 LEU CG C 13 27.22 . . . . . . . . . . . 4583 1 500 . 1 1 50 50 LEU CD1 C 13 26.13 . . . . . . . . . . . 4583 1 501 . 1 1 50 50 LEU CD2 C 13 23.69 . . . . . . . . . . . 4583 1 502 . 1 1 51 51 ASN N N 15 119.06 . . . . . . . . . . . 4583 1 503 . 1 1 51 51 ASN H H 1 8.55 . . . . . . . . . . . 4583 1 504 . 1 1 51 51 ASN CA C 13 52.09 . . . . . . . . . . . 4583 1 505 . 1 1 51 51 ASN HA H 1 4.82 . . . . . . . . . . . 4583 1 506 . 1 1 51 51 ASN CB C 13 39.86 . . . . . . . . . . . 4583 1 507 . 1 1 51 51 ASN HB2 H 1 2.91 . . . . . . . . . . . 4583 1 508 . 1 1 51 51 ASN HB3 H 1 2.80 . . . . . . . . . . . 4583 1 509 . 1 1 52 52 LEU N N 15 123.90 . . . . . . . . . . . 4583 1 510 . 1 1 52 52 LEU H H 1 8.80 . . . . . . . . . . . 4583 1 511 . 1 1 52 52 LEU CA C 13 59.07 . . . . . . . . . . . 4583 1 512 . 1 1 52 52 LEU HA H 1 3.89 . . . . . . . . . . . 4583 1 513 . 1 1 52 52 LEU CB C 13 41.85 . . . . . . . . . . . 4583 1 514 . 1 1 52 52 LEU HB2 H 1 1.75 . . . . . . . . . . . 4583 1 515 . 1 1 52 52 LEU HB3 H 1 1.65 . . . . . . . . . . . 4583 1 516 . 1 1 52 52 LEU HG H 1 1.69 . . . . . . . . . . . 4583 1 517 . 1 1 52 52 LEU HD11 H 1 0.90 . . . . . . . . . . . 4583 1 518 . 1 1 52 52 LEU HD12 H 1 0.90 . . . . . . . . . . . 4583 1 519 . 1 1 52 52 LEU HD13 H 1 0.90 . . . . . . . . . . . 4583 1 520 . 1 1 52 52 LEU CG C 13 27.25 . . . . . . . . . . . 4583 1 521 . 1 1 52 52 LEU CD1 C 13 24.99 . . . . . . . . . . . 4583 1 522 . 1 1 53 53 LYS N N 15 116.92 . . . . . . . . . . . 4583 1 523 . 1 1 53 53 LYS H H 1 8.21 . . . . . . . . . . . 4583 1 524 . 1 1 53 53 LYS CA C 13 59.37 . . . . . . . . . . . 4583 1 525 . 1 1 53 53 LYS HA H 1 3.86 . . . . . . . . . . . 4583 1 526 . 1 1 53 53 LYS CB C 13 31.67 . . . . . . . . . . . 4583 1 527 . 1 1 53 53 LYS HB2 H 1 1.80 . . . . . . . . . . . 4583 1 528 . 1 1 53 53 LYS HG2 H 1 1.42 . . . . . . . . . . . 4583 1 529 . 1 1 53 53 LYS HE2 H 1 3.03 . . . . . . . . . . . 4583 1 530 . 1 1 54 54 ASP N N 15 118.87 . . . . . . . . . . . 4583 1 531 . 1 1 54 54 ASP H H 1 7.66 . . . . . . . . . . . 4583 1 532 . 1 1 54 54 ASP CA C 13 56.93 . . . . . . . . . . . 4583 1 533 . 1 1 54 54 ASP HA H 1 4.46 . . . . . . . . . . . 4583 1 534 . 1 1 54 54 ASP CB C 13 41.29 . . . . . . . . . . . 4583 1 535 . 1 1 54 54 ASP HB2 H 1 2.86 . . . . . . . . . . . 4583 1 536 . 1 1 54 54 ASP HB3 H 1 2.69 . . . . . . . . . . . 4583 1 537 . 1 1 55 55 LEU N N 15 122.47 . . . . . . . . . . . 4583 1 538 . 1 1 55 55 LEU H H 1 8.01 . . . . . . . . . . . 4583 1 539 . 1 1 55 55 LEU CA C 13 57.95 . . . . . . . . . . . 4583 1 540 . 1 1 55 55 LEU HA H 1 3.96 . . . . . . . . . . . 4583 1 541 . 1 1 55 55 LEU CB C 13 42.18 . . . . . . . . . . . 4583 1 542 . 1 1 55 55 LEU HB2 H 1 1.72 . . . . . . . . . . . 4583 1 543 . 1 1 55 55 LEU HB3 H 1 1.58 . . . . . . . . . . . 4583 1 544 . 1 1 55 55 LEU HG H 1 0.82 . . . . . . . . . . . 4583 1 545 . 1 1 55 55 LEU CG C 13 25.25 . . . . . . . . . . . 4583 1 546 . 1 1 56 56 LYS N N 15 114.43 . . . . . . . . . . . 4583 1 547 . 1 1 56 56 LYS H H 1 7.70 . . . . . . . . . . . 4583 1 548 . 1 1 56 56 LYS CA C 13 58.23 . . . . . . . . . . . 4583 1 549 . 1 1 56 56 LYS HA H 1 3.92 . . . . . . . . . . . 4583 1 550 . 1 1 56 56 LYS CB C 13 32.46 . . . . . . . . . . . 4583 1 551 . 1 1 56 56 LYS HB2 H 1 1.81 . . . . . . . . . . . 4583 1 552 . 1 1 56 56 LYS HG2 H 1 1.48 . . . . . . . . . . . 4583 1 553 . 1 1 56 56 LYS HE2 H 1 2.89 . . . . . . . . . . . 4583 1 554 . 1 1 56 56 LYS CE C 13 41.75 . . . . . . . . . . . 4583 1 555 . 1 1 57 57 ASN N N 15 115.45 . . . . . . . . . . . 4583 1 556 . 1 1 57 57 ASN H H 1 7.21 . . . . . . . . . . . 4583 1 557 . 1 1 57 57 ASN CA C 13 52.86 . . . . . . . . . . . 4583 1 558 . 1 1 57 57 ASN HA H 1 4.74 . . . . . . . . . . . 4583 1 559 . 1 1 57 57 ASN CB C 13 39.54 . . . . . . . . . . . 4583 1 560 . 1 1 57 57 ASN HB2 H 1 3.00 . . . . . . . . . . . 4583 1 561 . 1 1 57 57 ASN HB3 H 1 2.75 . . . . . . . . . . . 4583 1 562 . 1 1 58 58 ILE N N 15 126.02 . . . . . . . . . . . 4583 1 563 . 1 1 58 58 ILE H H 1 7.47 . . . . . . . . . . . 4583 1 564 . 1 1 58 58 ILE CA C 13 60.22 . . . . . . . . . . . 4583 1 565 . 1 1 58 58 ILE HA H 1 4.17 . . . . . . . . . . . 4583 1 566 . 1 1 58 58 ILE CB C 13 37.95 . . . . . . . . . . . 4583 1 567 . 1 1 58 58 ILE HB H 1 1.99 . . . . . . . . . . . 4583 1 568 . 1 1 58 58 ILE HG12 H 1 1.95 . . . . . . . . . . . 4583 1 569 . 1 1 58 58 ILE HG13 H 1 1.06 . . . . . . . . . . . 4583 1 570 . 1 1 58 58 ILE HG21 H 1 0.83 . . . . . . . . . . . 4583 1 571 . 1 1 58 58 ILE HG22 H 1 0.83 . . . . . . . . . . . 4583 1 572 . 1 1 58 58 ILE HG23 H 1 0.83 . . . . . . . . . . . 4583 1 573 . 1 1 58 58 ILE HD11 H 1 0.81 . . . . . . . . . . . 4583 1 574 . 1 1 58 58 ILE HD12 H 1 0.81 . . . . . . . . . . . 4583 1 575 . 1 1 58 58 ILE HD13 H 1 0.81 . . . . . . . . . . . 4583 1 576 . 1 1 58 58 ILE CG1 C 13 27.97 . . . . . . . . . . . 4583 1 577 . 1 1 58 58 ILE CG2 C 13 16.46 . . . . . . . . . . . 4583 1 578 . 1 1 58 58 ILE CD1 C 13 13.84 . . . . . . . . . . . 4583 1 579 . 1 1 59 59 PRO N N 15 144.29 . . . . . . . . . . . 4583 1 580 . 1 1 59 59 PRO CA C 13 64.36 . . . . . . . . . . . 4583 1 581 . 1 1 59 59 PRO HA H 1 4.22 . . . . . . . . . . . 4583 1 582 . 1 1 59 59 PRO CB C 13 31.65 . . . . . . . . . . . 4583 1 583 . 1 1 59 59 PRO HB2 H 1 2.29 . . . . . . . . . . . 4583 1 584 . 1 1 59 59 PRO HB3 H 1 1.90 . . . . . . . . . . . 4583 1 585 . 1 1 59 59 PRO HG2 H 1 2.19 . . . . . . . . . . . 4583 1 586 . 1 1 59 59 PRO HG3 H 1 1.97 . . . . . . . . . . . 4583 1 587 . 1 1 59 59 PRO HD2 H 1 4.14 . . . . . . . . . . . 4583 1 588 . 1 1 59 59 PRO HD3 H 1 3.68 . . . . . . . . . . . 4583 1 589 . 1 1 59 59 PRO CG C 13 27.87 . . . . . . . . . . . 4583 1 590 . 1 1 59 59 PRO CD C 13 51.6 . . . . . . . . . . . 4583 1 591 . 1 1 60 60 GLY N N 15 111.04 . . . . . . . . . . . 4583 1 592 . 1 1 60 60 GLY H H 1 8.50 . . . . . . . . . . . 4583 1 593 . 1 1 60 60 GLY CA C 13 44.97 . . . . . . . . . . . 4583 1 594 . 1 1 60 60 GLY HA2 H 1 4.34 . . . . . . . . . . . 4583 1 595 . 1 1 61 61 ILE N N 15 122.93 . . . . . . . . . . . 4583 1 596 . 1 1 61 61 ILE H H 1 7.86 . . . . . . . . . . . 4583 1 597 . 1 1 61 61 ILE CA C 13 59.05 . . . . . . . . . . . 4583 1 598 . 1 1 61 61 ILE HA H 1 4.27 . . . . . . . . . . . 4583 1 599 . 1 1 61 61 ILE CB C 13 34.17 . . . . . . . . . . . 4583 1 600 . 1 1 61 61 ILE HB H 1 2.48 . . . . . . . . . . . 4583 1 601 . 1 1 61 61 ILE HG12 H 1 1.31 . . . . . . . . . . . 4583 1 602 . 1 1 61 61 ILE HG13 H 1 1.26 . . . . . . . . . . . 4583 1 603 . 1 1 61 61 ILE HG21 H 1 0.79 . . . . . . . . . . . 4583 1 604 . 1 1 61 61 ILE HG22 H 1 0.79 . . . . . . . . . . . 4583 1 605 . 1 1 61 61 ILE HG23 H 1 0.79 . . . . . . . . . . . 4583 1 606 . 1 1 61 61 ILE HD11 H 1 0.70 . . . . . . . . . . . 4583 1 607 . 1 1 61 61 ILE HD12 H 1 0.70 . . . . . . . . . . . 4583 1 608 . 1 1 61 61 ILE HD13 H 1 0.70 . . . . . . . . . . . 4583 1 609 . 1 1 61 61 ILE CG1 C 13 26.89 . . . . . . . . . . . 4583 1 610 . 1 1 61 61 ILE CG2 C 13 17.51 . . . . . . . . . . . 4583 1 611 . 1 1 61 61 ILE CD1 C 13 10.42 . . . . . . . . . . . 4583 1 612 . 1 1 62 62 GLY N N 15 111.86 . . . . . . . . . . . 4583 1 613 . 1 1 62 62 GLY H H 1 7.60 . . . . . . . . . . . 4583 1 614 . 1 1 62 62 GLY CA C 13 44.33 . . . . . . . . . . . 4583 1 615 . 1 1 62 62 GLY HA2 H 1 4.39 . . . . . . . . . . . 4583 1 616 . 1 1 63 63 GLU N N 15 119.86 . . . . . . . . . . . 4583 1 617 . 1 1 63 63 GLU H H 1 8.65 . . . . . . . . . . . 4583 1 618 . 1 1 63 63 GLU CA C 13 60.31 . . . . . . . . . . . 4583 1 619 . 1 1 63 63 GLU HA H 1 3.92 . . . . . . . . . . . 4583 1 620 . 1 1 63 63 GLU CB C 13 29.78 . . . . . . . . . . . 4583 1 621 . 1 1 63 63 GLU HB2 H 1 2.08 . . . . . . . . . . . 4583 1 622 . 1 1 63 63 GLU HG2 H 1 2.33 . . . . . . . . . . . 4583 1 623 . 1 1 63 63 GLU CG C 13 36.53 . . . . . . . . . . . 4583 1 624 . 1 1 64 64 ARG N N 15 118.44 . . . . . . . . . . . 4583 1 625 . 1 1 64 64 ARG H H 1 8.55 . . . . . . . . . . . 4583 1 626 . 1 1 64 64 ARG CA C 13 58.65 . . . . . . . . . . . 4583 1 627 . 1 1 64 64 ARG HA H 1 4.23 . . . . . . . . . . . 4583 1 628 . 1 1 64 64 ARG CB C 13 29.69 . . . . . . . . . . . 4583 1 629 . 1 1 64 64 ARG HB2 H 1 1.98 . . . . . . . . . . . 4583 1 630 . 1 1 64 64 ARG HB3 H 1 1.92 . . . . . . . . . . . 4583 1 631 . 1 1 64 64 ARG HG2 H 1 1.74 . . . . . . . . . . . 4583 1 632 . 1 1 64 64 ARG HD2 H 1 3.26 . . . . . . . . . . . 4583 1 633 . 1 1 64 64 ARG CG C 13 26.89 . . . . . . . . . . . 4583 1 634 . 1 1 64 64 ARG CD C 13 42.98 . . . . . . . . . . . 4583 1 635 . 1 1 65 65 SER N N 15 115.88 . . . . . . . . . . . 4583 1 636 . 1 1 65 65 SER H H 1 7.68 . . . . . . . . . . . 4583 1 637 . 1 1 65 65 SER CA C 13 60.78 . . . . . . . . . . . 4583 1 638 . 1 1 65 65 SER HA H 1 4.42 . . . . . . . . . . . 4583 1 639 . 1 1 65 65 SER CB C 13 62.73 . . . . . . . . . . . 4583 1 640 . 1 1 65 65 SER HB2 H 1 4.05 . . . . . . . . . . . 4583 1 641 . 1 1 65 65 SER HB3 H 1 3.91 . . . . . . . . . . . 4583 1 642 . 1 1 66 66 LEU N N 15 121.74 . . . . . . . . . . . 4583 1 643 . 1 1 66 66 LEU H H 1 7.99 . . . . . . . . . . . 4583 1 644 . 1 1 66 66 LEU CA C 13 57.54 . . . . . . . . . . . 4583 1 645 . 1 1 66 66 LEU CB C 13 42.33 . . . . . . . . . . . 4583 1 646 . 1 1 66 66 LEU HB2 H 1 1.64 . . . . . . . . . . . 4583 1 647 . 1 1 66 66 LEU HD11 H 1 0.89 . . . . . . . . . . . 4583 1 648 . 1 1 66 66 LEU HD12 H 1 0.89 . . . . . . . . . . . 4583 1 649 . 1 1 66 66 LEU HD13 H 1 0.89 . . . . . . . . . . . 4583 1 650 . 1 1 66 66 LEU CD1 C 13 27.29 . . . . . . . . . . . 4583 1 651 . 1 1 67 67 GLU N N 15 118.99 . . . . . . . . . . . 4583 1 652 . 1 1 67 67 GLU H H 1 7.69 . . . . . . . . . . . 4583 1 653 . 1 1 67 67 GLU CA C 13 59.40 . . . . . . . . . . . 4583 1 654 . 1 1 67 67 GLU HA H 1 3.98 . . . . . . . . . . . 4583 1 655 . 1 1 67 67 GLU CB C 13 29.15 . . . . . . . . . . . 4583 1 656 . 1 1 67 67 GLU HB2 H 1 2.17 . . . . . . . . . . . 4583 1 657 . 1 1 67 67 GLU HG2 H 1 2.44 . . . . . . . . . . . 4583 1 658 . 1 1 67 67 GLU HG3 H 1 2.35 . . . . . . . . . . . 4583 1 659 . 1 1 67 67 GLU CG C 13 36.25 . . . . . . . . . . . 4583 1 660 . 1 1 68 68 GLU N N 15 120.48 . . . . . . . . . . . 4583 1 661 . 1 1 68 68 GLU H H 1 7.77 . . . . . . . . . . . 4583 1 662 . 1 1 68 68 GLU CA C 13 59.51 . . . . . . . . . . . 4583 1 663 . 1 1 68 68 GLU HA H 1 4.07 . . . . . . . . . . . 4583 1 664 . 1 1 68 68 GLU CB C 13 29.44 . . . . . . . . . . . 4583 1 665 . 1 1 68 68 GLU HB2 H 1 2.21 . . . . . . . . . . . 4583 1 666 . 1 1 68 68 GLU HG2 H 1 2.47 . . . . . . . . . . . 4583 1 667 . 1 1 68 68 GLU CG C 13 36.52 . . . . . . . . . . . 4583 1 668 . 1 1 69 69 ILE N N 15 120.73 . . . . . . . . . . . 4583 1 669 . 1 1 69 69 ILE H H 1 8.05 . . . . . . . . . . . 4583 1 670 . 1 1 69 69 ILE CA C 13 66.12 . . . . . . . . . . . 4583 1 671 . 1 1 69 69 ILE HA H 1 3.51 . . . . . . . . . . . 4583 1 672 . 1 1 69 69 ILE CB C 13 38.62 . . . . . . . . . . . 4583 1 673 . 1 1 69 69 ILE HB H 1 1.93 . . . . . . . . . . . 4583 1 674 . 1 1 69 69 ILE HG12 H 1 2.00 . . . . . . . . . . . 4583 1 675 . 1 1 69 69 ILE HG13 H 1 0.74 . . . . . . . . . . . 4583 1 676 . 1 1 69 69 ILE HG21 H 1 0.84 . . . . . . . . . . . 4583 1 677 . 1 1 69 69 ILE HG22 H 1 0.84 . . . . . . . . . . . 4583 1 678 . 1 1 69 69 ILE HG23 H 1 0.84 . . . . . . . . . . . 4583 1 679 . 1 1 69 69 ILE HD11 H 1 0.81 . . . . . . . . . . . 4583 1 680 . 1 1 69 69 ILE HD12 H 1 0.81 . . . . . . . . . . . 4583 1 681 . 1 1 69 69 ILE HD13 H 1 0.81 . . . . . . . . . . . 4583 1 682 . 1 1 69 69 ILE CG1 C 13 30.25 . . . . . . . . . . . 4583 1 683 . 1 1 69 69 ILE CG2 C 13 17.96 . . . . . . . . . . . 4583 1 684 . 1 1 69 69 ILE CD1 C 13 14.69 . . . . . . . . . . . 4583 1 685 . 1 1 70 70 LYS N N 15 119.81 . . . . . . . . . . . 4583 1 686 . 1 1 70 70 LYS H H 1 8.40 . . . . . . . . . . . 4583 1 687 . 1 1 70 70 LYS CA C 13 60.92 . . . . . . . . . . . 4583 1 688 . 1 1 70 70 LYS HA H 1 3.78 . . . . . . . . . . . 4583 1 689 . 1 1 70 70 LYS CB C 13 32.63 . . . . . . . . . . . 4583 1 690 . 1 1 70 70 LYS HB2 H 1 1.98 . . . . . . . . . . . 4583 1 691 . 1 1 70 70 LYS HG2 H 1 1.61 . . . . . . . . . . . 4583 1 692 . 1 1 70 70 LYS HG3 H 1 1.43 . . . . . . . . . . . 4583 1 693 . 1 1 70 70 LYS HD2 H 1 1.74 . . . . . . . . . . . 4583 1 694 . 1 1 70 70 LYS HE2 H 1 2.99 . . . . . . . . . . . 4583 1 695 . 1 1 70 70 LYS CG C 13 25.36 . . . . . . . . . . . 4583 1 696 . 1 1 70 70 LYS CD C 13 29.15 . . . . . . . . . . . 4583 1 697 . 1 1 70 70 LYS CE C 13 41.92 . . . . . . . . . . . 4583 1 698 . 1 1 71 71 GLU N N 15 119.11 . . . . . . . . . . . 4583 1 699 . 1 1 71 71 GLU H H 1 8.22 . . . . . . . . . . . 4583 1 700 . 1 1 71 71 GLU CA C 13 59.44 . . . . . . . . . . . 4583 1 701 . 1 1 71 71 GLU HA H 1 4.07 . . . . . . . . . . . 4583 1 702 . 1 1 71 71 GLU CB C 13 29.63 . . . . . . . . . . . 4583 1 703 . 1 1 71 71 GLU HB2 H 1 2.22 . . . . . . . . . . . 4583 1 704 . 1 1 71 71 GLU HG2 H 1 2.49 . . . . . . . . . . . 4583 1 705 . 1 1 71 71 GLU CG C 13 36.50 . . . . . . . . . . . 4583 1 706 . 1 1 72 72 ALA N N 15 122.45 . . . . . . . . . . . 4583 1 707 . 1 1 72 72 ALA H H 1 8.04 . . . . . . . . . . . 4583 1 708 . 1 1 72 72 ALA CA C 13 55.07 . . . . . . . . . . . 4583 1 709 . 1 1 72 72 ALA HA H 1 4.18 . . . . . . . . . . . 4583 1 710 . 1 1 72 72 ALA CB C 13 18.88 . . . . . . . . . . . 4583 1 711 . 1 1 72 72 ALA HB1 H 1 1.52 . . . . . . . . . . . 4583 1 712 . 1 1 72 72 ALA HB2 H 1 1.52 . . . . . . . . . . . 4583 1 713 . 1 1 72 72 ALA HB3 H 1 1.52 . . . . . . . . . . . 4583 1 714 . 1 1 73 73 LEU N N 15 117.69 . . . . . . . . . . . 4583 1 715 . 1 1 73 73 LEU H H 1 8.29 . . . . . . . . . . . 4583 1 716 . 1 1 73 73 LEU CA C 13 57.84 . . . . . . . . . . . 4583 1 717 . 1 1 73 73 LEU HA H 1 4.05 . . . . . . . . . . . 4583 1 718 . 1 1 73 73 LEU CB C 13 41.47 . . . . . . . . . . . 4583 1 719 . 1 1 73 73 LEU HB2 H 1 2.01 . . . . . . . . . . . 4583 1 720 . 1 1 73 73 LEU HG H 1 1.39 . . . . . . . . . . . 4583 1 721 . 1 1 73 73 LEU HD11 H 1 1.16 . . . . . . . . . . . 4583 1 722 . 1 1 73 73 LEU HD12 H 1 1.16 . . . . . . . . . . . 4583 1 723 . 1 1 73 73 LEU HD13 H 1 1.16 . . . . . . . . . . . 4583 1 724 . 1 1 73 73 LEU HD21 H 1 0.75 . . . . . . . . . . . 4583 1 725 . 1 1 73 73 LEU HD22 H 1 0.75 . . . . . . . . . . . 4583 1 726 . 1 1 73 73 LEU HD23 H 1 0.75 . . . . . . . . . . . 4583 1 727 . 1 1 73 73 LEU CD2 C 13 27.07 . . . . . . . . . . . 4583 1 728 . 1 1 74 74 GLU N N 15 122.04 . . . . . . . . . . . 4583 1 729 . 1 1 74 74 GLU H H 1 8.39 . . . . . . . . . . . 4583 1 730 . 1 1 74 74 GLU CA C 13 59.60 . . . . . . . . . . . 4583 1 731 . 1 1 74 74 GLU HA H 1 4.30 . . . . . . . . . . . 4583 1 732 . 1 1 74 74 GLU CB C 13 29.62 . . . . . . . . . . . 4583 1 733 . 1 1 75 75 LYS N N 15 120.17 . . . . . . . . . . . 4583 1 734 . 1 1 75 75 LYS H H 1 7.89 . . . . . . . . . . . 4583 1 735 . 1 1 75 75 LYS CA C 13 59.16 . . . . . . . . . . . 4583 1 736 . 1 1 75 75 LYS HA H 1 4.09 . . . . . . . . . . . 4583 1 737 . 1 1 75 75 LYS CB C 13 32.49 . . . . . . . . . . . 4583 1 738 . 1 1 75 75 LYS HB2 H 1 1.97 . . . . . . . . . . . 4583 1 739 . 1 1 75 75 LYS HG2 H 1 1.59 . . . . . . . . . . . 4583 1 740 . 1 1 75 75 LYS HD2 H 1 1.76 . . . . . . . . . . . 4583 1 741 . 1 1 75 75 LYS HE2 H 1 3.01 . . . . . . . . . . . 4583 1 742 . 1 1 75 75 LYS CD C 13 25.66 . . . . . . . . . . . 4583 1 743 . 1 1 75 75 LYS CE C 13 42.08 . . . . . . . . . . . 4583 1 744 . 1 1 76 76 LYS N N 15 116.57 . . . . . . . . . . . 4583 1 745 . 1 1 76 76 LYS H H 1 7.23 . . . . . . . . . . . 4583 1 746 . 1 1 76 76 LYS CA C 13 54.28 . . . . . . . . . . . 4583 1 747 . 1 1 76 76 LYS HA H 1 4.40 . . . . . . . . . . . 4583 1 748 . 1 1 76 76 LYS CB C 13 33.28 . . . . . . . . . . . 4583 1 749 . 1 1 76 76 LYS HB2 H 1 2.09 . . . . . . . . . . . 4583 1 750 . 1 1 76 76 LYS HB3 H 1 1.85 . . . . . . . . . . . 4583 1 751 . 1 1 76 76 LYS HG2 H 1 1.53 . . . . . . . . . . . 4583 1 752 . 1 1 76 76 LYS HD2 H 1 1.71 . . . . . . . . . . . 4583 1 753 . 1 1 76 76 LYS HE2 H 1 3.01 . . . . . . . . . . . 4583 1 754 . 1 1 76 76 LYS CG C 13 25.24 . . . . . . . . . . . 4583 1 755 . 1 1 76 76 LYS CD C 13 28.29 . . . . . . . . . . . 4583 1 756 . 1 1 76 76 LYS CE C 13 42.08 . . . . . . . . . . . 4583 1 757 . 1 1 77 77 GLY N N 15 106.66 . . . . . . . . . . . 4583 1 758 . 1 1 77 77 GLY H H 1 7.65 . . . . . . . . . . . 4583 1 759 . 1 1 77 77 GLY CA C 13 45.31 . . . . . . . . . . . 4583 1 760 . 1 1 77 77 GLY HA2 H 1 3.89 . . . . . . . . . . . 4583 1 761 . 1 1 78 78 PHE N N 15 120.22 . . . . . . . . . . . 4583 1 762 . 1 1 78 78 PHE H H 1 7.89 . . . . . . . . . . . 4583 1 763 . 1 1 78 78 PHE CA C 13 56.14 . . . . . . . . . . . 4583 1 764 . 1 1 78 78 PHE HA H 1 4.97 . . . . . . . . . . . 4583 1 765 . 1 1 78 78 PHE CB C 13 42.12 . . . . . . . . . . . 4583 1 766 . 1 1 78 78 PHE HB2 H 1 3.11 . . . . . . . . . . . 4583 1 767 . 1 1 78 78 PHE HB3 H 1 2.63 . . . . . . . . . . . 4583 1 768 . 1 1 79 79 THR N N 15 114.34 . . . . . . . . . . . 4583 1 769 . 1 1 79 79 THR H H 1 8.28 . . . . . . . . . . . 4583 1 770 . 1 1 79 79 THR CA C 13 60.83 . . . . . . . . . . . 4583 1 771 . 1 1 79 79 THR HA H 1 4.49 . . . . . . . . . . . 4583 1 772 . 1 1 79 79 THR CB C 13 71.12 . . . . . . . . . . . 4583 1 773 . 1 1 79 79 THR HB H 1 4.04 . . . . . . . . . . . 4583 1 774 . 1 1 79 79 THR HG21 H 1 1.16 . . . . . . . . . . . 4583 1 775 . 1 1 79 79 THR HG22 H 1 1.16 . . . . . . . . . . . 4583 1 776 . 1 1 79 79 THR HG23 H 1 1.16 . . . . . . . . . . . 4583 1 777 . 1 1 79 79 THR CG2 C 13 21.28 . . . . . . . . . . . 4583 1 778 . 1 1 80 80 LEU N N 15 125.75 . . . . . . . . . . . 4583 1 779 . 1 1 80 80 LEU H H 1 8.48 . . . . . . . . . . . 4583 1 780 . 1 1 80 80 LEU CA C 13 54.49 . . . . . . . . . . . 4583 1 781 . 1 1 80 80 LEU HA H 1 4.43 . . . . . . . . . . . 4583 1 782 . 1 1 80 80 LEU CB C 13 43.26 . . . . . . . . . . . 4583 1 783 . 1 1 80 80 LEU HB2 H 1 1.57 . . . . . . . . . . . 4583 1 784 . 1 1 80 80 LEU HB3 H 1 1.51 . . . . . . . . . . . 4583 1 785 . 1 1 80 80 LEU HG H 1 1.61 . . . . . . . . . . . 4583 1 786 . 1 1 80 80 LEU HD11 H 1 0.78 . . . . . . . . . . . 4583 1 787 . 1 1 80 80 LEU HD12 H 1 0.78 . . . . . . . . . . . 4583 1 788 . 1 1 80 80 LEU HD13 H 1 0.78 . . . . . . . . . . . 4583 1 789 . 1 1 80 80 LEU HD21 H 1 0.90 . . . . . . . . . . . 4583 1 790 . 1 1 80 80 LEU HD22 H 1 0.90 . . . . . . . . . . . 4583 1 791 . 1 1 80 80 LEU HD23 H 1 0.90 . . . . . . . . . . . 4583 1 792 . 1 1 80 80 LEU CG C 13 27.25 . . . . . . . . . . . 4583 1 793 . 1 1 80 80 LEU CD1 C 13 25.16 . . . . . . . . . . . 4583 1 794 . 1 1 80 80 LEU CD2 C 13 25.02 . . . . . . . . . . . 4583 1 795 . 1 1 81 81 LYS N N 15 125.53 . . . . . . . . . . . 4583 1 796 . 1 1 81 81 LYS H H 1 8.82 . . . . . . . . . . . 4583 1 797 . 1 1 81 81 LYS CA C 13 56.63 . . . . . . . . . . . 4583 1 798 . 1 1 81 81 LYS HA H 1 4.24 . . . . . . . . . . . 4583 1 799 . 1 1 81 81 LYS CB C 13 33.20 . . . . . . . . . . . 4583 1 800 . 1 1 81 81 LYS HB2 H 1 1.82 . . . . . . . . . . . 4583 1 801 . 1 1 81 81 LYS HG2 H 1 1.50 . . . . . . . . . . . 4583 1 802 . 1 1 81 81 LYS HD2 H 1 1.69 . . . . . . . . . . . 4583 1 803 . 1 1 81 81 LYS HE2 H 1 3.03 . . . . . . . . . . . 4583 1 804 . 1 1 81 81 LYS CG C 13 24.90 . . . . . . . . . . . 4583 1 805 . 1 1 81 81 LYS CD C 13 29.11 . . . . . . . . . . . 4583 1 806 . 1 1 81 81 LYS CE C 13 42.1 . . . . . . . . . . . 4583 1 807 . 1 1 82 82 GLU N N 15 127.21 . . . . . . . . . . . 4583 1 808 . 1 1 82 82 GLU H H 1 7.87 . . . . . . . . . . . 4583 1 809 . 1 1 82 82 GLU CA C 13 58.29 . . . . . . . . . . . 4583 1 810 . 1 1 82 82 GLU HA H 1 4.14 . . . . . . . . . . . 4583 1 811 . 1 1 82 82 GLU CB C 13 31.61 . . . . . . . . . . . 4583 1 812 . 1 1 82 82 GLU HB2 H 1 1.91 . . . . . . . . . . . 4583 1 813 . 1 1 82 82 GLU HG2 H 1 2.23 . . . . . . . . . . . 4583 1 814 . 1 1 82 82 GLU CG C 13 37.14 . . . . . . . . . . . 4583 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 4583 _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 . 4583 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 1 1 ALA H . . . . 1 1 1 1 ALA HA . . . 7.1 . . . . . . . . . . . . . . 4583 1 2 3JHNHA . 1 1 2 2 ALA H . . . . 1 1 2 2 ALA HA . . . 7.1 . . . . . . . . . . . . . . 4583 1 3 3JHNHA . 1 1 4 4 GLU H . . . . 1 1 4 4 GLU HA . . . 7.6 . . . . . . . . . . . . . . 4583 1 4 3JHNHA . 1 1 5 5 GLU H . . . . 1 1 5 5 GLU HA . . . 7.2 . . . . . . . . . . . . . . 4583 1 5 3JHNHA . 1 1 6 6 ALA H . . . . 1 1 6 6 ALA HA . . . 7.1 . . . . . . . . . . . . . . 4583 1 6 3JHNHA . 1 1 7 7 LYS H . . . . 1 1 7 7 LYS HA . . . 7.2 . . . . . . . . . . . . . . 4583 1 7 3JHNHA . 1 1 8 8 GLU H . . . . 1 1 8 8 GLU HA . . . 7.2 . . . . . . . . . . . . . . 4583 1 8 3JHNHA . 1 1 10 10 GLU H . . . . 1 1 10 10 GLU HA . . . 7.2 . . . . . . . . . . . . . . 4583 1 9 3JHNHA . 1 1 11 11 ALA H . . . . 1 1 11 11 ALA HA . . . 7.1 . . . . . . . . . . . . . . 4583 1 10 3JHNHA . 1 1 14 14 GLU H . . . . 1 1 14 14 GLU HA . . . 6.5 . . . . . . . . . . . . . . 4583 1 11 3JHNHA . 1 1 15 15 GLN H . . . . 1 1 15 15 GLN HA . . . 7.2 . . . . . . . . . . . . . . 4583 1 12 3JHNHA . 1 1 16 16 GLU H . . . . 1 1 16 16 GLU HA . . . 7.2 . . . . . . . . . . . . . . 4583 1 13 3JHNHA . 1 1 17 17 GLU H . . . . 1 1 17 17 GLU HA . . . 7.2 . . . . . . . . . . . . . . 4583 1 14 3JHNHA . 1 1 18 18 GLU H . . . . 1 1 18 18 GLU HA . . . 5.8 . . . . . . . . . . . . . . 4583 1 15 3JHNHA . 1 1 19 19 LEU H . . . . 1 1 19 19 LEU HA . . . 5.8 . . . . . . . . . . . . . . 4583 1 16 3JHNHA . 1 1 20 20 ASP H . . . . 1 1 20 20 ASP HA . . . 8.7 . . . . . . . . . . . . . . 4583 1 17 3JHNHA . 1 1 21 21 LEU H . . . . 1 1 21 21 LEU HA . . . 5.8 . . . . . . . . . . . . . . 4583 1 18 3JHNHA . 1 1 23 23 LEU H . . . . 1 1 23 23 LEU HA . . . 1.4 . . . . . . . . . . . . . . 4583 1 19 3JHNHA . 1 1 24 24 GLU H . . . . 1 1 24 24 GLU HA . . . 3.4 . . . . . . . . . . . . . . 4583 1 20 3JHNHA . 1 1 25 25 GLU H . . . . 1 1 25 25 GLU HA . . . 7.5 . . . . . . . . . . . . . . 4583 1 21 3JHNHA . 1 1 26 26 LEU H . . . . 1 1 26 26 LEU HA . . . 6.8 . . . . . . . . . . . . . . 4583 1 22 3JHNHA . 1 1 28 28 LEU H . . . . 1 1 28 28 LEU HA . . . 6.5 . . . . . . . . . . . . . . 4583 1 23 3JHNHA . 1 1 29 29 SER H . . . . 1 1 29 29 SER HA . . . 6.9 . . . . . . . . . . . . . . 4583 1 24 3JHNHA . 1 1 30 30 THR H . . . . 1 1 30 30 THR HA . . . 2.1 . . . . . . . . . . . . . . 4583 1 25 3JHNHA . 1 1 31 31 ARG H . . . . 1 1 31 31 ARG HA . . . 1.1 . . . . . . . . . . . . . . 4583 1 26 3JHNHA . 1 1 32 32 VAL H . . . . 1 1 32 32 VAL HA . . . 5.8 . . . . . . . . . . . . . . 4583 1 27 3JHNHA . 1 1 35 35 SER H . . . . 1 1 35 35 SER HA . . . 3.4 . . . . . . . . . . . . . . 4583 1 28 3JHNHA . 1 1 36 36 LEU H . . . . 1 1 36 36 LEU HA . . . 4.3 . . . . . . . . . . . . . . 4583 1 29 3JHNHA . 1 1 37 37 LYS H . . . . 1 1 37 37 LYS HA . . . 2.2 . . . . . . . . . . . . . . 4583 1 30 3JHNHA . 1 1 38 38 GLU H . . . . 1 1 38 38 GLU HA . . . 3.3 . . . . . . . . . . . . . . 4583 1 31 3JHNHA . 1 1 39 39 GLU H . . . . 1 1 39 39 GLU HA . . . 8.9 . . . . . . . . . . . . . . 4583 1 32 3JHNHA . 1 1 41 41 ILE H . . . . 1 1 41 41 ILE HA . . . 10.1 . . . . . . . . . . . . . . 4583 1 33 3JHNHA . 1 1 42 42 GLU H . . . . 1 1 42 42 GLU HA . . . 9.8 . . . . . . . . . . . . . . 4583 1 34 3JHNHA . 1 1 43 43 SER H . . . . 1 1 43 43 SER HA . . . 9.7 . . . . . . . . . . . . . . 4583 1 35 3JHNHA . 1 1 44 44 VAL H . . . . 1 1 44 44 VAL HA . . . 1.4 . . . . . . . . . . . . . . 4583 1 36 3JHNHA . 1 1 45 45 ARG H . . . . 1 1 45 45 ARG HA . . . 2.2 . . . . . . . . . . . . . . 4583 1 37 3JHNHA . 1 1 46 46 ALA H . . . . 1 1 46 46 ALA HA . . . 4.3 . . . . . . . . . . . . . . 4583 1 38 3JHNHA . 1 1 47 47 LEU H . . . . 1 1 47 47 LEU HA . . . 3.3 . . . . . . . . . . . . . . 4583 1 39 3JHNHA . 1 1 48 48 LEU H . . . . 1 1 48 48 LEU HA . . . 5.3 . . . . . . . . . . . . . . 4583 1 40 3JHNHA . 1 1 49 49 ALA H . . . . 1 1 49 49 ALA HA . . . 6.5 . . . . . . . . . . . . . . 4583 1 41 3JHNHA . 1 1 50 50 LEU H . . . . 1 1 50 50 LEU HA . . . 2.2 . . . . . . . . . . . . . . 4583 1 42 3JHNHA . 1 1 51 51 ASN H . . . . 1 1 51 51 ASN HA . . . 8.7 . . . . . . . . . . . . . . 4583 1 43 3JHNHA . 1 1 52 52 LEU H . . . . 1 1 52 52 LEU HA . . . 1.4 . . . . . . . . . . . . . . 4583 1 44 3JHNHA . 1 1 53 53 LYS H . . . . 1 1 53 53 LYS HA . . . 4.1 . . . . . . . . . . . . . . 4583 1 45 3JHNHA . 1 1 54 54 ASP H . . . . 1 1 54 54 ASP HA . . . 6.5 . . . . . . . . . . . . . . 4583 1 46 3JHNHA . 1 1 55 55 LEU H . . . . 1 1 55 55 LEU HA . . . 1.4 . . . . . . . . . . . . . . 4583 1 47 3JHNHA . 1 1 56 56 LYS H . . . . 1 1 56 56 LYS HA . . . 5.3 . . . . . . . . . . . . . . 4583 1 48 3JHNHA . 1 1 57 57 ASN H . . . . 1 1 57 57 ASN HA . . . 9.7 . . . . . . . . . . . . . . 4583 1 49 3JHNHA . 1 1 58 58 ILE H . . . . 1 1 58 58 ILE HA . . . 5.7 . . . . . . . . . . . . . . 4583 1 50 3JHNHA . 1 1 61 61 ILE H . . . . 1 1 61 61 ILE HA . . . 10.1 . . . . . . . . . . . . . . 4583 1 51 3JHNHA . 1 1 63 63 GLU H . . . . 1 1 63 63 GLU HA . . . 0.0 . . . . . . . . . . . . . . 4583 1 52 3JHNHA . 1 1 64 64 ARG H . . . . 1 1 64 64 ARG HA . . . 0.0 . . . . . . . . . . . . . . 4583 1 53 3JHNHA . 1 1 65 65 SER H . . . . 1 1 65 65 SER HA . . . 2.1 . . . . . . . . . . . . . . 4583 1 54 3JHNHA . 1 1 66 66 LEU H . . . . 1 1 66 66 LEU HA . . . 1.4 . . . . . . . . . . . . . . 4583 1 55 3JHNHA . 1 1 67 67 GLU H . . . . 1 1 67 67 GLU HA . . . 3.3 . . . . . . . . . . . . . . 4583 1 56 3JHNHA . 1 1 68 68 GLU H . . . . 1 1 68 68 GLU HA . . . 2.2 . . . . . . . . . . . . . . 4583 1 57 3JHNHA . 1 1 69 69 ILE H . . . . 1 1 69 69 ILE HA . . . 2.2 . . . . . . . . . . . . . . 4583 1 58 3JHNHA . 1 1 70 70 LYS H . . . . 1 1 70 70 LYS HA . . . 2.2 . . . . . . . . . . . . . . 4583 1 59 3JHNHA . 1 1 71 71 GLU H . . . . 1 1 71 71 GLU HA . . . 3.3 . . . . . . . . . . . . . . 4583 1 60 3JHNHA . 1 1 72 72 ALA H . . . . 1 1 72 72 ALA HA . . . 1.4 . . . . . . . . . . . . . . 4583 1 61 3JHNHA . 1 1 73 73 LEU H . . . . 1 1 73 73 LEU HA . . . 4.8 . . . . . . . . . . . . . . 4583 1 62 3JHNHA . 1 1 74 74 GLU H . . . . 1 1 74 74 GLU HA . . . 1.4 . . . . . . . . . . . . . . 4583 1 63 3JHNHA . 1 1 75 75 LYS H . . . . 1 1 75 75 LYS HA . . . 2.2 . . . . . . . . . . . . . . 4583 1 64 3JHNHA . 1 1 76 76 LYS H . . . . 1 1 76 76 LYS HA . . . 10.3 . . . . . . . . . . . . . . 4583 1 65 3JHNHA . 1 1 78 78 PHE H . . . . 1 1 78 78 PHE HA . . . 2.2 . . . . . . . . . . . . . . 4583 1 66 3JHNHA . 1 1 79 79 THR H . . . . 1 1 79 79 THR HA . . . 9.7 . . . . . . . . . . . . . . 4583 1 67 3JHNHA . 1 1 80 80 LEU H . . . . 1 1 80 80 LEU HA . . . 7.1 . . . . . . . . . . . . . . 4583 1 68 3JHNHA . 1 1 81 81 LYS H . . . . 1 1 81 81 LYS HA . . . 7.1 . . . . . . . . . . . . . . 4583 1 69 3JHNHA . 1 1 82 82 GLU H . . . . 1 1 82 82 GLU HA . . . 8.5 . . . . . . . . . . . . . . 4583 1 stop_ save_