data_25639 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of LEDGF/p75 IBD in complex with POGZ peptide (1389-1404) ; _BMRB_accession_number 25639 _BMRB_flat_file_name bmr25639.str _Entry_type original _Submission_date 2015-05-26 _Accession_date 2015-05-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tesina Petr . . 2 Cermakova Katerina . . 3 Horejsi Magdalena . . 4 Prochazkova Katerina . . 5 Fabry Milan . . 6 Sharma Subhalakshmi . . 7 Christ Frauke . . 8 Demeulemeester Jonas . . 9 Debyser Zeger . . 10 'De Rijck' Jan . . 11 Veverka Vaclav . . 12 Rezacova Pavlina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 502 "13C chemical shifts" 345 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-08-17 original BMRB . stop_ _Original_release_date 2015-08-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Multiple cellular proteins interact with LEDGF/p75 through a conserved unstructured consensus motif ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26245978 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tesina P. . . 2 Cermakova K. . . 3 Horejsi M. . . 4 Prochazkova K. . . 5 Fabry M. . . 6 Sharma S. . . 7 Christ F. . . 8 Demeulemeester J. . . 9 Debyser Z. . . 10 Rijck J.D. . . 11 Veverka V. . . 12 Rezacova P. . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature Communications' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7968 _Page_last 7968 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'LEDGF/p75 IBD in complex with POGZ peptide (1389-1404)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 1825.766 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 16 _Mol_residue_sequence ; EGESETESFYGFEEAD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1389 GLU 2 1390 GLY 3 1391 GLU 4 1392 SER 5 1393 GLU 6 1394 THR 7 1395 GLU 8 1396 SER 9 1397 PHE 10 1398 TYR 11 1399 GLY 12 1400 PHE 13 1401 GLU 14 1402 GLU 15 1403 ALA 16 1404 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2N3A "Solution Structure Of Ledgf/p75 Ibd In Complex With Pogz Peptide (1389-1404)" 100.00 16 100.00 100.00 6.50e+00 DBJ BAA32306 "KIAA0461 perotein [Homo sapiens]" 100.00 1355 100.00 100.00 2.49e-01 DBJ BAC27169 "unnamed protein product [Mus musculus]" 100.00 766 100.00 100.00 8.54e-01 DBJ BAC29003 "unnamed protein product [Mus musculus]" 100.00 1409 100.00 100.00 2.88e-01 DBJ BAC65570 "mKIAA0461 protein [Mus musculus]" 100.00 853 100.00 100.00 7.15e-01 DBJ BAE36623 "unnamed protein product [Mus musculus]" 100.00 1400 100.00 100.00 2.80e-01 EMBL CAD97850 "hypothetical protein [Homo sapiens]" 100.00 1410 100.00 100.00 2.03e-01 EMBL CAL37797 "hypothetical protein [synthetic construct]" 100.00 1410 100.00 100.00 2.03e-01 GB AAH32176 "Pogz protein, partial [Mus musculus]" 100.00 897 100.00 100.00 7.71e-01 GB AAH85188 "Pogz protein [Mus musculus]" 100.00 1400 100.00 100.00 2.80e-01 GB AAH96492 "Pogo transposable element with ZNF domain [Mus musculus]" 100.00 1409 100.00 100.00 2.80e-01 GB AAI39433 "Pogo transposable element with ZNF domain [Mus musculus]" 100.00 1409 100.00 100.00 2.80e-01 GB AAI39434 "Pogo transposable element with ZNF domain [Mus musculus]" 100.00 1409 100.00 100.00 2.80e-01 REF NP_001101163 "pogo transposable element with ZNF domain [Rattus norvegicus]" 100.00 1357 100.00 100.00 2.79e-01 REF NP_001156662 "pogo transposable element with ZNF domain [Bos taurus]" 100.00 1287 100.00 100.00 3.68e-01 REF NP_001159420 "pogo transposable element with ZNF domain isoform 2 [Mus musculus]" 100.00 1400 100.00 100.00 2.80e-01 REF NP_001162545 "pogo transposable element with ZNF domain [Papio anubis]" 100.00 1409 100.00 100.00 2.19e-01 REF NP_001181866 "pogo transposable element with ZNF domain isoform 4 [Homo sapiens]" 100.00 1401 100.00 100.00 2.19e-01 SP Q7Z3K3 "RecName: Full=Pogo transposable element with ZNF domain; AltName: Full=Suppressor of hairy wing homolog 5; AltName: Full=Zinc f" 100.00 1410 100.00 100.00 2.15e-01 SP Q8BZH4 "RecName: Full=Pogo transposable element with ZNF domain" 100.00 1409 100.00 100.00 2.80e-01 TPG DAA31680 "TPA: pogo transposable element with ZNF domain [Bos taurus]" 100.00 1287 100.00 100.00 3.68e-01 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 9355.110 _Mol_thiol_state 'all free' _Details . _Residue_count 79 _Mol_residue_sequence ; MDSRLQRIHAEIKNSLKIDN LDVNRCIEALDELASLQVTM QQAQKHTEMITTLKKIRRFK VSQVIMEKSTMLYNKFKNM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 348 MET 2 349 ASP 3 350 SER 4 351 ARG 5 352 LEU 6 353 GLN 7 354 ARG 8 355 ILE 9 356 HIS 10 357 ALA 11 358 GLU 12 359 ILE 13 360 LYS 14 361 ASN 15 362 SER 16 363 LEU 17 364 LYS 18 365 ILE 19 366 ASP 20 367 ASN 21 368 LEU 22 369 ASP 23 370 VAL 24 371 ASN 25 372 ARG 26 373 CYS 27 374 ILE 28 375 GLU 29 376 ALA 30 377 LEU 31 378 ASP 32 379 GLU 33 380 LEU 34 381 ALA 35 382 SER 36 383 LEU 37 384 GLN 38 385 VAL 39 386 THR 40 387 MET 41 388 GLN 42 389 GLN 43 390 ALA 44 391 GLN 45 392 LYS 46 393 HIS 47 394 THR 48 395 GLU 49 396 MET 50 397 ILE 51 398 THR 52 399 THR 53 400 LEU 54 401 LYS 55 402 LYS 56 403 ILE 57 404 ARG 58 405 ARG 59 406 PHE 60 407 LYS 61 408 VAL 62 409 SER 63 410 GLN 64 411 VAL 65 412 ILE 66 413 MET 67 414 GLU 68 415 LYS 69 416 SER 70 417 THR 71 418 MET 72 419 LEU 73 420 TYR 74 421 ASN 75 422 LYS 76 423 PHE 77 424 LYS 78 425 ASN 79 426 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens $entity_2 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'chemical synthesis' . . . . n/a $entity_2 'recombinant technology' . . . . pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM 'natural abundance' $entity_2 0.5 mM '[U-13C; U-15N]' HEPES 25 mM 'natural abundance' NaCl 100 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_YASARA _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address YASARA . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 125 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 348 1 MET HA H 4.36 0.02 1 2 348 1 MET HB2 H 2.13 0.02 2 3 348 1 MET HB3 H 1.94 0.02 2 4 348 1 MET HG2 H 2.38 0.02 2 5 348 1 MET HG3 H 2.53 0.02 2 6 348 1 MET HE H 2.01 0.02 1 7 348 1 MET C C 175.15 0.20 1 8 348 1 MET CA C 57.22 0.20 1 9 348 1 MET CB C 31.10 0.20 1 10 348 1 MET CG C 32.26 0.20 1 11 348 1 MET CE C 17.08 0.20 1 12 349 2 ASP H H 8.27 0.02 1 13 349 2 ASP HA H 4.38 0.02 1 14 349 2 ASP HB2 H 2.73 0.02 2 15 349 2 ASP HB3 H 2.73 0.02 2 16 349 2 ASP C C 175.55 0.20 1 17 349 2 ASP CA C 58.13 0.20 1 18 349 2 ASP CB C 40.58 0.20 1 19 349 2 ASP N N 118.68 0.20 1 20 350 3 SER H H 7.91 0.02 1 21 350 3 SER HA H 4.19 0.02 1 22 350 3 SER HB2 H 3.92 0.02 2 23 350 3 SER HB3 H 3.92 0.02 2 24 350 3 SER C C 174.57 0.20 1 25 350 3 SER CA C 61.42 0.20 1 26 350 3 SER CB C 62.75 0.20 1 27 350 3 SER N N 114.75 0.20 1 28 351 4 ARG H H 7.94 0.02 1 29 351 4 ARG HA H 3.98 0.02 1 30 351 4 ARG HB2 H 1.89 0.02 2 31 351 4 ARG HB3 H 1.89 0.02 2 32 351 4 ARG HG2 H 1.72 0.02 2 33 351 4 ARG HG3 H 1.53 0.02 2 34 351 4 ARG HD2 H 3.09 0.02 2 35 351 4 ARG HD3 H 3.09 0.02 2 36 351 4 ARG C C 175.79 0.20 1 37 351 4 ARG CA C 59.50 0.20 1 38 351 4 ARG CB C 30.12 0.20 1 39 351 4 ARG CG C 27.05 0.20 1 40 351 4 ARG CD C 43.73 0.20 1 41 351 4 ARG N N 123.66 0.20 1 42 352 5 LEU H H 8.32 0.02 1 43 352 5 LEU HA H 3.73 0.02 1 44 352 5 LEU HB2 H 1.27 0.02 2 45 352 5 LEU HB3 H 0.65 0.02 2 46 352 5 LEU HG H 1.50 0.02 1 47 352 5 LEU HD1 H 0.27 0.02 2 48 352 5 LEU HD2 H 0.42 0.02 2 49 352 5 LEU C C 176.76 0.20 1 50 352 5 LEU CA C 58.03 0.20 1 51 352 5 LEU CB C 40.49 0.20 1 52 352 5 LEU CG C 26.29 0.20 1 53 352 5 LEU CD1 C 24.98 0.20 2 54 352 5 LEU CD2 C 23.32 0.20 2 55 352 5 LEU N N 118.54 0.20 1 56 353 6 GLN H H 8.07 0.02 1 57 353 6 GLN HA H 4.18 0.02 1 58 353 6 GLN HB2 H 2.23 0.02 2 59 353 6 GLN HB3 H 2.12 0.02 2 60 353 6 GLN HG2 H 2.65 0.02 2 61 353 6 GLN HG3 H 2.50 0.02 2 62 353 6 GLN C C 176.49 0.20 1 63 353 6 GLN CA C 59.34 0.20 1 64 353 6 GLN CB C 28.13 0.20 1 65 353 6 GLN CG C 34.23 0.20 1 66 353 6 GLN N N 118.93 0.20 1 67 354 7 ARG H H 7.88 0.02 1 68 354 7 ARG HA H 4.08 0.02 1 69 354 7 ARG HB2 H 1.98 0.02 2 70 354 7 ARG HB3 H 1.88 0.02 2 71 354 7 ARG HG2 H 1.68 0.02 2 72 354 7 ARG HG3 H 1.57 0.02 2 73 354 7 ARG HD2 H 3.18 0.02 2 74 354 7 ARG HD3 H 3.18 0.02 2 75 354 7 ARG C C 176.09 0.20 1 76 354 7 ARG CA C 59.50 0.20 1 77 354 7 ARG CB C 28.94 0.20 1 78 354 7 ARG CD C 42.96 0.20 1 79 354 7 ARG N N 121.91 0.20 1 80 355 8 ILE H H 8.32 0.02 1 81 355 8 ILE HA H 3.55 0.02 1 82 355 8 ILE HB H 1.71 0.02 1 83 355 8 ILE HG12 H 1.78 0.02 2 84 355 8 ILE HG13 H 0.95 0.02 2 85 355 8 ILE HG2 H 0.87 0.02 1 86 355 8 ILE HD1 H 0.66 0.02 1 87 355 8 ILE C C 174.96 0.20 1 88 355 8 ILE CA C 65.50 0.20 1 89 355 8 ILE CB C 38.54 0.20 1 90 355 8 ILE CG1 C 30.08 0.20 1 91 355 8 ILE CG2 C 18.29 0.20 1 92 355 8 ILE CD1 C 15.14 0.20 1 93 355 8 ILE N N 120.81 0.20 1 94 356 9 HIS H H 8.39 0.02 1 95 356 9 HIS HA H 4.17 0.02 1 96 356 9 HIS HB2 H 3.30 0.02 2 97 356 9 HIS HB3 H 3.09 0.02 2 98 356 9 HIS HD2 H 6.70 0.02 1 99 356 9 HIS C C 173.71 0.20 1 100 356 9 HIS CA C 58.25 0.20 1 101 356 9 HIS CB C 29.41 0.20 1 102 356 9 HIS N N 118.03 0.20 1 103 357 10 ALA H H 7.77 0.02 1 104 357 10 ALA HA H 3.69 0.02 1 105 357 10 ALA HB H 1.38 0.02 1 106 357 10 ALA C C 177.14 0.20 1 107 357 10 ALA CA C 55.19 0.20 1 108 357 10 ALA CB C 17.58 0.20 1 109 357 10 ALA N N 119.41 0.20 1 110 358 11 GLU H H 8.25 0.02 1 111 358 11 GLU HA H 3.93 0.02 1 112 358 11 GLU HB2 H 2.29 0.02 2 113 358 11 GLU HB3 H 1.91 0.02 2 114 358 11 GLU HG2 H 2.28 0.02 2 115 358 11 GLU HG3 H 1.99 0.02 2 116 358 11 GLU C C 176.72 0.20 1 117 358 11 GLU CA C 59.25 0.20 1 118 358 11 GLU CB C 30.44 0.20 1 119 358 11 GLU CG C 36.20 0.20 1 120 358 11 GLU N N 118.60 0.20 1 121 359 12 ILE H H 8.25 0.02 1 122 359 12 ILE HA H 3.46 0.02 1 123 359 12 ILE HB H 1.96 0.02 1 124 359 12 ILE HG12 H 0.83 0.02 2 125 359 12 ILE HG13 H 1.97 0.02 2 126 359 12 ILE HG2 H 0.72 0.02 1 127 359 12 ILE HD1 H 0.67 0.02 1 128 359 12 ILE C C 174.55 0.20 1 129 359 12 ILE CA C 66.25 0.20 1 130 359 12 ILE CB C 38.43 0.20 1 131 359 12 ILE CG1 C 29.14 0.20 1 132 359 12 ILE CG2 C 17.47 0.20 1 133 359 12 ILE CD1 C 14.24 0.20 1 134 359 12 ILE N N 121.37 0.20 1 135 360 13 LYS H H 7.75 0.02 1 136 360 13 LYS HA H 3.52 0.02 1 137 360 13 LYS HB2 H 1.34 0.02 2 138 360 13 LYS HB3 H 1.14 0.02 2 139 360 13 LYS HG2 H 0.94 0.02 2 140 360 13 LYS HG3 H 0.94 0.02 2 141 360 13 LYS HE2 H 2.26 0.02 2 142 360 13 LYS HE3 H 1.94 0.02 2 143 360 13 LYS C C 176.39 0.20 1 144 360 13 LYS CA C 59.88 0.20 1 145 360 13 LYS CB C 31.51 0.20 1 146 360 13 LYS CG C 25.04 0.20 1 147 360 13 LYS CD C 28.69 0.20 1 148 360 13 LYS CE C 40.82 0.20 1 149 360 13 LYS N N 115.97 0.20 1 150 361 14 ASN H H 8.46 0.02 1 151 361 14 ASN HA H 4.31 0.02 1 152 361 14 ASN HB2 H 2.72 0.02 2 153 361 14 ASN HB3 H 2.60 0.02 2 154 361 14 ASN HD21 H 7.42 0.02 2 155 361 14 ASN HD22 H 6.91 0.02 2 156 361 14 ASN C C 175.49 0.20 1 157 361 14 ASN CA C 55.75 0.20 1 158 361 14 ASN CB C 38.70 0.20 1 159 361 14 ASN N N 114.45 0.20 1 160 361 14 ASN ND2 N 112.69 0.20 1 161 362 15 SER H H 8.00 0.02 1 162 362 15 SER HA H 4.29 0.02 1 163 362 15 SER HB2 H 4.20 0.02 2 164 362 15 SER HB3 H 3.92 0.02 2 165 362 15 SER HG H 4.64 0.02 1 166 362 15 SER C C 170.89 0.20 1 167 362 15 SER CA C 61.61 0.20 1 168 362 15 SER CB C 62.97 0.20 1 169 362 15 SER N N 114.88 0.20 1 170 363 16 LEU H H 7.01 0.02 1 171 363 16 LEU HA H 4.62 0.02 1 172 363 16 LEU HB2 H 1.42 0.02 2 173 363 16 LEU HB3 H 1.75 0.02 2 174 363 16 LEU HG H 1.72 0.02 1 175 363 16 LEU HD1 H 0.49 0.02 2 176 363 16 LEU HD2 H 0.28 0.02 2 177 363 16 LEU C C 173.02 0.20 1 178 363 16 LEU CA C 52.68 0.20 1 179 363 16 LEU CB C 40.78 0.20 1 180 363 16 LEU CG C 25.68 0.20 1 181 363 16 LEU CD1 C 21.66 0.20 2 182 363 16 LEU CD2 C 26.56 0.20 2 183 363 16 LEU N N 119.01 0.20 1 184 364 17 LYS H H 6.84 0.02 1 185 364 17 LYS HA H 4.42 0.02 1 186 364 17 LYS HB2 H 1.82 0.02 2 187 364 17 LYS HB3 H 1.75 0.02 2 188 364 17 LYS HG2 H 1.70 0.02 2 189 364 17 LYS HG3 H 1.49 0.02 2 190 364 17 LYS HD2 H 1.70 0.02 2 191 364 17 LYS HD3 H 1.70 0.02 2 192 364 17 LYS HE2 H 2.96 0.02 2 193 364 17 LYS HE3 H 2.96 0.02 2 194 364 17 LYS C C 175.45 0.20 1 195 364 17 LYS CA C 56.89 0.20 1 196 364 17 LYS CB C 32.97 0.20 1 197 364 17 LYS CG C 25.23 0.20 1 198 364 17 LYS CD C 29.29 0.20 1 199 364 17 LYS CE C 41.99 0.20 1 200 364 17 LYS N N 122.00 0.20 1 201 365 18 ILE H H 8.31 0.02 1 202 365 18 ILE HA H 3.69 0.02 1 203 365 18 ILE HB H 1.46 0.02 1 204 365 18 ILE HG12 H 1.34 0.02 2 205 365 18 ILE HG13 H 1.03 0.02 2 206 365 18 ILE HG2 H 0.82 0.02 1 207 365 18 ILE HD1 H 0.65 0.02 1 208 365 18 ILE C C 173.30 0.20 1 209 365 18 ILE CA C 64.26 0.20 1 210 365 18 ILE CB C 38.73 0.20 1 211 365 18 ILE CG1 C 28.56 0.20 1 212 365 18 ILE CG2 C 17.03 0.20 1 213 365 18 ILE CD1 C 13.81 0.20 1 214 365 18 ILE N N 123.70 0.20 1 215 366 19 ASP H H 8.35 0.02 1 216 366 19 ASP HA H 4.46 0.02 1 217 366 19 ASP HB2 H 2.75 0.02 2 218 366 19 ASP HB3 H 2.65 0.02 2 219 366 19 ASP C C 173.07 0.20 1 220 366 19 ASP CA C 54.51 0.20 1 221 366 19 ASP CB C 40.23 0.20 1 222 366 19 ASP N N 117.95 0.20 1 223 367 20 ASN H H 8.07 0.02 1 224 367 20 ASN HA H 4.76 0.02 1 225 367 20 ASN HB2 H 2.70 0.02 2 226 367 20 ASN HB3 H 2.41 0.02 2 227 367 20 ASN HD21 H 7.33 0.02 2 228 367 20 ASN C C 170.38 0.20 1 229 367 20 ASN CA C 52.86 0.20 1 230 367 20 ASN CB C 39.38 0.20 1 231 367 20 ASN N N 119.79 0.20 1 232 367 20 ASN ND2 N 112.05 0.20 1 233 368 21 LEU H H 8.13 0.02 1 234 368 21 LEU HA H 4.23 0.02 1 235 368 21 LEU HB2 H 1.88 0.02 2 236 368 21 LEU HB3 H 1.34 0.02 2 237 368 21 LEU HG H 1.80 0.02 1 238 368 21 LEU HD1 H 1.05 0.02 2 239 368 21 LEU HD2 H 0.88 0.02 2 240 368 21 LEU C C 175.09 0.20 1 241 368 21 LEU CA C 56.09 0.20 1 242 368 21 LEU CB C 42.97 0.20 1 243 368 21 LEU CG C 26.68 0.20 1 244 368 21 LEU CD1 C 25.82 0.20 2 245 368 21 LEU CD2 C 24.38 0.20 2 246 368 21 LEU N N 121.97 0.20 1 247 369 22 ASP H H 9.38 0.02 1 248 369 22 ASP HA H 4.80 0.02 1 249 369 22 ASP HB2 H 2.97 0.02 2 250 369 22 ASP HB3 H 2.43 0.02 2 251 369 22 ASP C C 172.89 0.20 1 252 369 22 ASP CA C 52.09 0.20 1 253 369 22 ASP CB C 40.80 0.20 1 254 369 22 ASP N N 125.87 0.20 1 255 370 23 VAL H H 8.33 0.02 1 256 370 23 VAL HA H 3.46 0.02 1 257 370 23 VAL HB H 2.10 0.02 1 258 370 23 VAL HG1 H 1.07 0.02 2 259 370 23 VAL HG2 H 1.10 0.02 2 260 370 23 VAL C C 175.13 0.20 1 261 370 23 VAL CA C 66.59 0.20 1 262 370 23 VAL CB C 32.01 0.20 1 263 370 23 VAL CG1 C 21.47 0.20 2 264 370 23 VAL CG2 C 21.48 0.20 2 265 370 23 VAL N N 122.21 0.20 1 266 371 24 ASN H H 8.54 0.02 1 267 371 24 ASN HA H 4.38 0.02 1 268 371 24 ASN HB2 H 2.82 0.02 2 269 371 24 ASN HB3 H 2.76 0.02 2 270 371 24 ASN HD21 H 7.70 0.02 2 271 371 24 ASN HD22 H 6.87 0.02 2 272 371 24 ASN C C 174.95 0.20 1 273 371 24 ASN CA C 56.61 0.20 1 274 371 24 ASN CB C 37.56 0.20 1 275 371 24 ASN N N 117.65 0.20 1 276 371 24 ASN ND2 N 113.03 0.20 1 277 372 25 ARG H H 7.56 0.02 1 278 372 25 ARG HA H 4.03 0.02 1 279 372 25 ARG HB2 H 1.73 0.02 2 280 372 25 ARG HB3 H 1.73 0.02 2 281 372 25 ARG HG2 H 1.69 0.02 2 282 372 25 ARG HG3 H 1.45 0.02 2 283 372 25 ARG HD2 H 3.17 0.02 2 284 372 25 ARG HD3 H 2.94 0.02 2 285 372 25 ARG C C 175.80 0.20 1 286 372 25 ARG CA C 58.71 0.20 1 287 372 25 ARG CB C 30.71 0.20 1 288 372 25 ARG CG C 27.00 0.20 1 289 372 25 ARG CD C 44.18 0.20 1 290 372 25 ARG N N 121.67 0.20 1 291 373 26 CYS H H 7.72 0.02 1 292 373 26 CYS HA H 3.83 0.02 1 293 373 26 CYS HB2 H 3.03 0.02 2 294 373 26 CYS HB3 H 3.12 0.02 2 295 373 26 CYS C C 174.12 0.20 1 296 373 26 CYS CA C 63.26 0.20 1 297 373 26 CYS CB C 26.87 0.20 1 298 373 26 CYS N N 120.31 0.20 1 299 374 27 ILE H H 8.39 0.02 1 300 374 27 ILE HA H 3.28 0.02 1 301 374 27 ILE HB H 1.88 0.02 1 302 374 27 ILE HG12 H 1.88 0.02 2 303 374 27 ILE HG13 H 0.56 0.02 2 304 374 27 ILE HG2 H 0.79 0.02 1 305 374 27 ILE HD1 H 0.84 0.02 1 306 374 27 ILE C C 174.26 0.20 1 307 374 27 ILE CA C 66.92 0.20 1 308 374 27 ILE CB C 37.96 0.20 1 309 374 27 ILE CG1 C 31.49 0.20 1 310 374 27 ILE CG2 C 17.52 0.20 1 311 374 27 ILE CD1 C 14.11 0.20 1 312 374 27 ILE N N 119.37 0.20 1 313 375 28 GLU H H 7.87 0.02 1 314 375 28 GLU HA H 4.02 0.02 1 315 375 28 GLU HB2 H 2.06 0.02 2 316 375 28 GLU HB3 H 1.97 0.02 2 317 375 28 GLU HG2 H 2.45 0.02 2 318 375 28 GLU HG3 H 2.22 0.02 2 319 375 28 GLU C C 177.06 0.20 1 320 375 28 GLU CA C 59.81 0.20 1 321 375 28 GLU CB C 29.36 0.20 1 322 375 28 GLU CG C 36.75 0.20 1 323 375 28 GLU N N 117.81 0.20 1 324 376 29 ALA H H 7.53 0.02 1 325 376 29 ALA HA H 4.33 0.02 1 326 376 29 ALA HB H 1.51 0.02 1 327 376 29 ALA C C 176.80 0.20 1 328 376 29 ALA CA C 55.20 0.20 1 329 376 29 ALA CB C 18.38 0.20 1 330 376 29 ALA N N 122.97 0.20 1 331 377 30 LEU H H 8.44 0.02 1 332 377 30 LEU HA H 3.85 0.02 1 333 377 30 LEU HB2 H 1.97 0.02 2 334 377 30 LEU HB3 H 1.15 0.02 2 335 377 30 LEU HG H 1.97 0.02 1 336 377 30 LEU HD1 H 0.81 0.02 2 337 377 30 LEU HD2 H 0.59 0.02 2 338 377 30 LEU C C 177.22 0.20 1 339 377 30 LEU CA C 57.81 0.20 1 340 377 30 LEU CB C 41.22 0.20 1 341 377 30 LEU CG C 26.38 0.20 1 342 377 30 LEU CD1 C 28.27 0.20 2 343 377 30 LEU CD2 C 23.01 0.20 2 344 377 30 LEU N N 118.27 0.20 1 345 378 31 ASP H H 8.89 0.02 1 346 378 31 ASP HA H 4.40 0.02 1 347 378 31 ASP HB2 H 2.68 0.02 2 348 378 31 ASP HB3 H 2.49 0.02 2 349 378 31 ASP C C 176.83 0.20 1 350 378 31 ASP CA C 57.23 0.20 1 351 378 31 ASP CB C 39.15 0.20 1 352 378 31 ASP N N 121.59 0.20 1 353 379 32 GLU H H 8.11 0.02 1 354 379 32 GLU HA H 3.93 0.02 1 355 379 32 GLU HB2 H 2.10 0.02 2 356 379 32 GLU HB3 H 2.10 0.02 2 357 379 32 GLU HG2 H 2.28 0.02 2 358 379 32 GLU HG3 H 2.00 0.02 2 359 379 32 GLU C C 177.67 0.20 1 360 379 32 GLU CA C 59.67 0.20 1 361 379 32 GLU CB C 28.51 0.20 1 362 379 32 GLU N N 123.79 0.20 1 363 380 33 LEU H H 8.46 0.02 1 364 380 33 LEU HA H 3.93 0.02 1 365 380 33 LEU HB2 H 1.66 0.02 2 366 380 33 LEU HB3 H 2.18 0.02 2 367 380 33 LEU HG H 1.70 0.02 1 368 380 33 LEU HD1 H 0.90 0.02 2 369 380 33 LEU HD2 H 0.93 0.02 2 370 380 33 LEU C C 176.01 0.20 1 371 380 33 LEU CA C 57.90 0.20 1 372 380 33 LEU CB C 41.14 0.20 1 373 380 33 LEU CG C 26.96 0.20 1 374 380 33 LEU CD1 C 23.35 0.20 2 375 380 33 LEU CD2 C 26.41 0.20 2 376 380 33 LEU N N 121.38 0.20 1 377 381 34 ALA H H 8.31 0.02 1 378 381 34 ALA HA H 3.95 0.02 1 379 381 34 ALA HB H 1.51 0.02 1 380 381 34 ALA C C 175.44 0.20 1 381 381 34 ALA CA C 54.26 0.20 1 382 381 34 ALA CB C 18.66 0.20 1 383 381 34 ALA N N 118.91 0.20 1 384 382 35 SER H H 7.59 0.02 1 385 382 35 SER HA H 4.36 0.02 1 386 382 35 SER HB2 H 3.98 0.02 2 387 382 35 SER HB3 H 3.93 0.02 2 388 382 35 SER C C 171.75 0.20 1 389 382 35 SER CA C 59.47 0.20 1 390 382 35 SER CB C 64.30 0.20 1 391 382 35 SER N N 112.40 0.20 1 392 383 36 LEU H H 7.23 0.02 1 393 383 36 LEU HA H 4.25 0.02 1 394 383 36 LEU HB2 H 1.80 0.02 2 395 383 36 LEU HB3 H 1.28 0.02 2 396 383 36 LEU HG H 1.97 0.02 1 397 383 36 LEU HD1 H 0.69 0.02 2 398 383 36 LEU HD2 H 0.70 0.02 2 399 383 36 LEU CA C 54.71 0.20 1 400 383 36 LEU CB C 43.13 0.20 1 401 383 36 LEU CG C 25.49 0.20 1 402 383 36 LEU CD1 C 25.66 0.20 2 403 383 36 LEU CD2 C 22.41 0.20 2 404 383 36 LEU N N 122.11 0.20 1 405 384 37 GLN HA H 4.33 0.02 1 406 384 37 GLN HB2 H 1.96 0.02 2 407 384 37 GLN HB3 H 1.96 0.02 2 408 384 37 GLN HG2 H 2.26 0.02 2 409 384 37 GLN HG3 H 2.24 0.02 2 410 384 37 GLN C C 171.81 0.20 1 411 384 37 GLN CA C 55.12 0.20 1 412 384 37 GLN CB C 26.94 0.20 1 413 384 37 GLN CG C 33.62 0.20 1 414 385 38 VAL H H 7.79 0.02 1 415 385 38 VAL HA H 4.29 0.02 1 416 385 38 VAL HB H 1.93 0.02 1 417 385 38 VAL HG1 H 0.82 0.02 2 418 385 38 VAL HG2 H 0.77 0.02 2 419 385 38 VAL C C 173.44 0.20 1 420 385 38 VAL CA C 61.18 0.20 1 421 385 38 VAL CB C 33.69 0.20 1 422 385 38 VAL CG1 C 21.93 0.20 2 423 385 38 VAL CG2 C 21.53 0.20 2 424 385 38 VAL N N 122.92 0.20 1 425 386 39 THR H H 8.52 0.02 1 426 386 39 THR HA H 4.48 0.02 1 427 386 39 THR HB H 4.67 0.02 1 428 386 39 THR HG2 H 1.25 0.02 1 429 386 39 THR C C 172.88 0.20 1 430 386 39 THR CA C 60.55 0.20 1 431 386 39 THR CB C 71.44 0.20 1 432 386 39 THR CG2 C 21.65 0.20 1 433 386 39 THR N N 117.11 0.20 1 434 387 40 MET H H 8.93 0.02 1 435 387 40 MET HA H 4.13 0.02 1 436 387 40 MET HB2 H 2.16 0.02 2 437 387 40 MET HB3 H 2.00 0.02 2 438 387 40 MET HE H 2.01 0.02 1 439 387 40 MET C C 175.34 0.20 1 440 387 40 MET CA C 59.15 0.20 1 441 387 40 MET CB C 31.94 0.20 1 442 387 40 MET CE C 16.91 0.20 1 443 387 40 MET N N 120.80 0.20 1 444 388 41 GLN H H 8.34 0.02 1 445 388 41 GLN HA H 3.92 0.02 1 446 388 41 GLN HB3 H 1.91 0.02 2 447 388 41 GLN HG2 H 2.42 0.02 2 448 388 41 GLN HG3 H 2.42 0.02 2 449 388 41 GLN C C 176.35 0.20 1 450 388 41 GLN CA C 59.43 0.20 1 451 388 41 GLN CB C 27.86 0.20 1 452 388 41 GLN CG C 34.35 0.20 1 453 388 41 GLN N N 116.99 0.20 1 454 389 42 GLN H H 7.61 0.02 1 455 389 42 GLN HA H 4.00 0.02 1 456 389 42 GLN HB2 H 1.69 0.02 2 457 389 42 GLN HB3 H 2.30 0.02 2 458 389 42 GLN HG2 H 2.36 0.02 2 459 389 42 GLN HG3 H 2.36 0.02 2 460 389 42 GLN C C 175.76 0.20 1 461 389 42 GLN CA C 58.41 0.20 1 462 389 42 GLN CB C 28.50 0.20 1 463 389 42 GLN CG C 34.16 0.20 1 464 389 42 GLN N N 118.80 0.20 1 465 390 43 ALA H H 8.23 0.02 1 466 390 43 ALA HA H 3.60 0.02 1 467 390 43 ALA HB H 1.03 0.02 1 468 390 43 ALA C C 176.29 0.20 1 469 390 43 ALA CA C 55.10 0.20 1 470 390 43 ALA CB C 17.90 0.20 1 471 390 43 ALA N N 120.97 0.20 1 472 391 44 GLN H H 7.76 0.02 1 473 391 44 GLN HA H 3.84 0.02 1 474 391 44 GLN HB2 H 2.03 0.02 2 475 391 44 GLN HB3 H 2.03 0.02 2 476 391 44 GLN HG2 H 2.52 0.02 2 477 391 44 GLN HG3 H 2.36 0.02 2 478 391 44 GLN C C 174.77 0.20 1 479 391 44 GLN CA C 57.84 0.20 1 480 391 44 GLN CB C 28.13 0.20 1 481 391 44 GLN CG C 34.11 0.20 1 482 391 44 GLN N N 113.33 0.20 1 483 392 45 LYS H H 7.32 0.02 1 484 392 45 LYS HA H 4.11 0.02 1 485 392 45 LYS HB2 H 1.68 0.02 2 486 392 45 LYS HB3 H 1.68 0.02 2 487 392 45 LYS HG2 H 1.32 0.02 2 488 392 45 LYS HG3 H 1.20 0.02 2 489 392 45 LYS HD2 H 1.59 0.02 2 490 392 45 LYS HD3 H 1.59 0.02 2 491 392 45 LYS HE2 H 2.88 0.02 2 492 392 45 LYS HE3 H 2.88 0.02 2 493 392 45 LYS C C 174.57 0.20 1 494 392 45 LYS CA C 57.42 0.20 1 495 392 45 LYS CB C 32.43 0.20 1 496 392 45 LYS CG C 24.79 0.20 1 497 392 45 LYS CD C 29.05 0.20 1 498 392 45 LYS CE C 41.93 0.20 1 499 392 45 LYS N N 117.02 0.20 1 500 393 46 HIS H H 7.77 0.02 1 501 393 46 HIS HA H 4.63 0.02 1 502 393 46 HIS HB2 H 3.14 0.02 2 503 393 46 HIS HB3 H 2.67 0.02 2 504 393 46 HIS HD2 H 7.19 0.02 1 505 393 46 HIS HE1 H 7.71 0.02 1 506 393 46 HIS C C 173.28 0.20 1 507 393 46 HIS CA C 55.50 0.20 1 508 393 46 HIS CB C 29.33 0.20 1 509 393 46 HIS N N 121.35 0.20 1 510 394 47 THR H H 7.39 0.02 1 511 394 47 THR HA H 3.75 0.02 1 512 394 47 THR HB H 4.10 0.02 1 513 394 47 THR HG2 H 1.22 0.02 1 514 394 47 THR CA C 65.68 0.20 1 515 394 47 THR CB C 68.34 0.20 1 516 394 47 THR CG2 C 21.98 0.20 1 517 394 47 THR N N 113.53 0.20 1 518 395 48 GLU HB2 H 2.02 0.02 2 519 395 48 GLU HB3 H 2.02 0.02 2 520 395 48 GLU CA C 59.50 0.20 1 521 395 48 GLU CB C 28.47 0.20 1 522 396 49 MET H H 7.72 0.02 1 523 396 49 MET HA H 2.98 0.02 1 524 396 49 MET HB2 H 2.13 0.02 2 525 396 49 MET HB3 H 1.46 0.02 2 526 396 49 MET HG2 H 1.99 0.02 2 527 396 49 MET HG3 H 1.99 0.02 2 528 396 49 MET HE H 1.64 0.02 1 529 396 49 MET C C 174.67 0.20 1 530 396 49 MET CA C 58.09 0.20 1 531 396 49 MET CB C 32.49 0.20 1 532 396 49 MET CG C 31.51 0.20 1 533 396 49 MET CE C 17.18 0.20 1 534 396 49 MET N N 120.67 0.20 1 535 397 50 ILE H H 7.46 0.02 1 536 397 50 ILE HA H 3.52 0.02 1 537 397 50 ILE HB H 2.08 0.02 1 538 397 50 ILE HG12 H 1.49 0.02 2 539 397 50 ILE HG13 H 0.98 0.02 2 540 397 50 ILE HG2 H 1.00 0.02 1 541 397 50 ILE HD1 H 0.58 0.02 1 542 397 50 ILE C C 175.00 0.20 1 543 397 50 ILE CA C 65.19 0.20 1 544 397 50 ILE CB C 36.51 0.20 1 545 397 50 ILE CG1 C 28.97 0.20 1 546 397 50 ILE CG2 C 18.16 0.20 1 547 397 50 ILE CD1 C 12.23 0.20 1 548 397 50 ILE N N 119.57 0.20 1 549 398 51 THR H H 7.94 0.02 1 550 398 51 THR HA H 3.84 0.02 1 551 398 51 THR HB H 4.33 0.02 1 552 398 51 THR HG2 H 1.21 0.02 1 553 398 51 THR C C 173.76 0.20 1 554 398 51 THR CA C 66.84 0.20 1 555 398 51 THR CB C 68.28 0.20 1 556 398 51 THR CG2 C 22.35 0.20 1 557 398 51 THR N N 117.44 0.20 1 558 399 52 THR H H 8.20 0.02 1 559 399 52 THR HA H 3.76 0.02 1 560 399 52 THR HB H 4.41 0.02 1 561 399 52 THR HG2 H 1.15 0.02 1 562 399 52 THR C C 173.22 0.20 1 563 399 52 THR CA C 67.24 0.20 1 564 399 52 THR CB C 68.44 0.20 1 565 399 52 THR CG2 C 23.64 0.20 1 566 399 52 THR N N 121.89 0.20 1 567 400 53 LEU H H 8.14 0.02 1 568 400 53 LEU HA H 3.83 0.02 1 569 400 53 LEU HB2 H 2.22 0.02 2 570 400 53 LEU HB3 H 1.33 0.02 2 571 400 53 LEU HG H 1.88 0.02 1 572 400 53 LEU HD1 H 0.70 0.02 2 573 400 53 LEU HD2 H 0.81 0.02 2 574 400 53 LEU C C 174.41 0.20 1 575 400 53 LEU CA C 57.85 0.20 1 576 400 53 LEU CB C 42.11 0.20 1 577 400 53 LEU CG C 26.43 0.20 1 578 400 53 LEU CD1 C 22.50 0.20 2 579 400 53 LEU CD2 C 26.15 0.20 2 580 400 53 LEU N N 119.85 0.20 1 581 401 54 LYS H H 8.02 0.02 1 582 401 54 LYS HA H 2.76 0.02 1 583 401 54 LYS HB2 H 1.92 0.02 2 584 401 54 LYS HB3 H 1.62 0.02 2 585 401 54 LYS HG2 H 0.94 0.02 2 586 401 54 LYS HG3 H 0.50 0.02 2 587 401 54 LYS HD2 H 1.55 0.02 2 588 401 54 LYS HD3 H 1.55 0.02 2 589 401 54 LYS HE2 H 2.79 0.02 2 590 401 54 LYS HE3 H 2.79 0.02 2 591 401 54 LYS C C 177.18 0.20 1 592 401 54 LYS CA C 59.24 0.20 1 593 401 54 LYS CB C 32.89 0.20 1 594 401 54 LYS CG C 25.57 0.20 1 595 401 54 LYS CD C 29.70 0.20 1 596 401 54 LYS CE C 42.26 0.20 1 597 401 54 LYS N N 116.41 0.20 1 598 402 55 LYS H H 7.60 0.02 1 599 402 55 LYS HA H 3.77 0.02 1 600 402 55 LYS HB2 H 1.60 0.02 2 601 402 55 LYS HB3 H 1.60 0.02 2 602 402 55 LYS HG2 H 1.29 0.02 2 603 402 55 LYS HG3 H 1.02 0.02 2 604 402 55 LYS HD2 H 1.45 0.02 2 605 402 55 LYS HD3 H 1.45 0.02 2 606 402 55 LYS HE2 H 2.77 0.02 2 607 402 55 LYS HE3 H 2.77 0.02 2 608 402 55 LYS C C 176.55 0.20 1 609 402 55 LYS CA C 58.99 0.20 1 610 402 55 LYS CB C 32.60 0.20 1 611 402 55 LYS CG C 24.94 0.20 1 612 402 55 LYS CD C 29.68 0.20 1 613 402 55 LYS CE C 42.01 0.20 1 614 402 55 LYS N N 117.72 0.20 1 615 403 56 ILE H H 7.61 0.02 1 616 403 56 ILE HA H 3.71 0.02 1 617 403 56 ILE HB H 1.84 0.02 1 618 403 56 ILE HG12 H 1.46 0.02 2 619 403 56 ILE HG13 H 1.46 0.02 2 620 403 56 ILE HG2 H 0.65 0.02 1 621 403 56 ILE HD1 H 0.60 0.02 1 622 403 56 ILE C C 173.11 0.20 1 623 403 56 ILE CA C 64.10 0.20 1 624 403 56 ILE CB C 36.68 0.20 1 625 403 56 ILE CG1 C 25.26 0.20 1 626 403 56 ILE CG2 C 17.59 0.20 1 627 403 56 ILE CD1 C 14.69 0.20 1 628 403 56 ILE N N 111.60 0.20 1 629 404 57 ARG H H 6.97 0.02 1 630 404 57 ARG HA H 4.17 0.02 1 631 404 57 ARG HB2 H 1.62 0.02 2 632 404 57 ARG HB3 H 1.62 0.02 2 633 404 57 ARG HG2 H 2.06 0.02 2 634 404 57 ARG HG3 H 1.50 0.02 2 635 404 57 ARG C C 174.07 0.20 1 636 404 57 ARG CA C 58.65 0.20 1 637 404 57 ARG CB C 30.66 0.20 1 638 404 57 ARG CG C 25.19 0.20 1 639 404 57 ARG N N 119.37 0.20 1 640 405 58 ARG H H 7.12 0.02 1 641 405 58 ARG HA H 4.42 0.02 1 642 405 58 ARG HB2 H 2.22 0.02 2 643 405 58 ARG HB3 H 1.67 0.02 2 644 405 58 ARG HG2 H 1.54 0.02 2 645 405 58 ARG HG3 H 1.38 0.02 2 646 405 58 ARG HD2 H 3.05 0.02 2 647 405 58 ARG HD3 H 3.05 0.02 2 648 405 58 ARG C C 173.70 0.20 1 649 405 58 ARG CA C 53.63 0.20 1 650 405 58 ARG CB C 29.00 0.20 1 651 405 58 ARG CG C 27.00 0.20 1 652 405 58 ARG CD C 42.57 0.20 1 653 405 58 ARG N N 112.12 0.20 1 654 406 59 PHE H H 7.58 0.02 1 655 406 59 PHE HA H 5.17 0.02 1 656 406 59 PHE HB2 H 3.37 0.02 2 657 406 59 PHE HB3 H 2.94 0.02 2 658 406 59 PHE HD1 H 7.23 0.02 3 659 406 59 PHE HD2 H 7.23 0.02 3 660 406 59 PHE C C 170.36 0.20 1 661 406 59 PHE CA C 56.35 0.20 1 662 406 59 PHE CB C 38.48 0.20 1 663 406 59 PHE N N 122.46 0.20 1 664 407 60 LYS H H 7.53 0.02 1 665 407 60 LYS HA H 4.08 0.02 1 666 407 60 LYS HB2 H 1.52 0.02 2 667 407 60 LYS HB3 H 1.52 0.02 2 668 407 60 LYS HG2 H 1.31 0.02 2 669 407 60 LYS HG3 H 1.31 0.02 2 670 407 60 LYS HD2 H 1.66 0.02 2 671 407 60 LYS HD3 H 1.66 0.02 2 672 407 60 LYS C C 173.71 0.20 1 673 407 60 LYS CA C 57.74 0.20 1 674 407 60 LYS CB C 32.30 0.20 1 675 407 60 LYS CG C 24.67 0.20 1 676 407 60 LYS CD C 28.51 0.20 1 677 407 60 LYS CE C 41.95 0.20 1 678 407 60 LYS N N 125.52 0.20 1 679 408 61 VAL H H 6.14 0.02 1 680 408 61 VAL HA H 3.54 0.02 1 681 408 61 VAL HB H 0.73 0.02 1 682 408 61 VAL HG1 H 0.65 0.02 2 683 408 61 VAL HG2 H 0.56 0.02 2 684 408 61 VAL C C 172.78 0.20 1 685 408 61 VAL CA C 63.18 0.20 1 686 408 61 VAL CB C 32.02 0.20 1 687 408 61 VAL CG1 C 20.87 0.20 2 688 408 61 VAL CG2 C 21.68 0.20 2 689 408 61 VAL N N 114.69 0.20 1 690 409 62 SER H H 7.24 0.02 1 691 409 62 SER HA H 4.83 0.02 1 692 409 62 SER HB2 H 3.82 0.02 2 693 409 62 SER HB3 H 3.78 0.02 2 694 409 62 SER CA C 55.64 0.20 1 695 409 62 SER CB C 64.19 0.20 1 696 409 62 SER N N 111.12 0.20 1 697 410 63 GLN HA H 4.01 0.02 1 698 410 63 GLN HB2 H 2.12 0.02 2 699 410 63 GLN HB3 H 2.02 0.02 2 700 410 63 GLN HG2 H 2.36 0.02 2 701 410 63 GLN HG3 H 2.36 0.02 2 702 410 63 GLN HE21 H 7.57 0.02 2 703 410 63 GLN HE22 H 6.66 0.02 2 704 410 63 GLN C C 175.04 0.20 1 705 410 63 GLN CA C 59.13 0.20 1 706 410 63 GLN CB C 27.99 0.20 1 707 410 63 GLN CG C 34.06 0.20 1 708 410 63 GLN NE2 N 110.24 0.20 1 709 411 64 VAL H H 7.68 0.02 1 710 411 64 VAL HA H 3.83 0.02 1 711 411 64 VAL HB H 1.75 0.02 1 712 411 64 VAL HG1 H 1.01 0.02 2 713 411 64 VAL HG2 H 0.91 0.02 2 714 411 64 VAL C C 175.59 0.20 1 715 411 64 VAL CA C 66.03 0.20 1 716 411 64 VAL CB C 31.99 0.20 1 717 411 64 VAL CG1 C 22.04 0.20 2 718 411 64 VAL CG2 C 21.54 0.20 2 719 411 64 VAL N N 117.85 0.20 1 720 412 65 ILE H H 7.71 0.02 1 721 412 65 ILE HA H 3.45 0.02 1 722 412 65 ILE HB H 2.10 0.02 1 723 412 65 ILE HG12 H 0.90 0.02 2 724 412 65 ILE HG13 H 1.85 0.02 2 725 412 65 ILE HG2 H 0.93 0.02 1 726 412 65 ILE HD1 H 1.21 0.02 1 727 412 65 ILE C C 177.25 0.20 1 728 412 65 ILE CA C 66.26 0.20 1 729 412 65 ILE CB C 37.70 0.20 1 730 412 65 ILE CG1 C 31.16 0.20 1 731 412 65 ILE CG2 C 16.94 0.20 1 732 412 65 ILE CD1 C 14.62 0.20 1 733 412 65 ILE N N 120.33 0.20 1 734 413 66 MET H H 8.25 0.02 1 735 413 66 MET HA H 3.99 0.02 1 736 413 66 MET HB2 H 2.12 0.02 2 737 413 66 MET HB3 H 2.30 0.02 2 738 413 66 MET HG2 H 2.89 0.02 2 739 413 66 MET HG3 H 2.12 0.02 2 740 413 66 MET HE H 1.97 0.02 1 741 413 66 MET C C 176.15 0.20 1 742 413 66 MET CA C 61.09 0.20 1 743 413 66 MET CB C 33.60 0.20 1 744 413 66 MET CG C 32.00 0.20 1 745 413 66 MET CE C 16.47 0.20 1 746 413 66 MET N N 121.39 0.20 1 747 414 67 GLU H H 8.55 0.02 1 748 414 67 GLU HA H 4.01 0.02 1 749 414 67 GLU HB2 H 2.06 0.02 2 750 414 67 GLU HB3 H 2.21 0.02 2 751 414 67 GLU HG2 H 2.44 0.02 2 752 414 67 GLU HG3 H 2.22 0.02 2 753 414 67 GLU C C 177.29 0.20 1 754 414 67 GLU CA C 59.85 0.20 1 755 414 67 GLU CB C 29.75 0.20 1 756 414 67 GLU CG C 36.50 0.20 1 757 414 67 GLU N N 121.25 0.20 1 758 415 68 LYS H H 8.72 0.02 1 759 415 68 LYS HA H 4.09 0.02 1 760 415 68 LYS HB2 H 1.72 0.02 2 761 415 68 LYS HB3 H 1.72 0.02 2 762 415 68 LYS HG2 H 1.54 0.02 2 763 415 68 LYS HG3 H 1.54 0.02 2 764 415 68 LYS HE2 H 2.95 0.02 2 765 415 68 LYS HE3 H 2.80 0.02 2 766 415 68 LYS C C 177.00 0.20 1 767 415 68 LYS CA C 60.32 0.20 1 768 415 68 LYS CB C 34.24 0.20 1 769 415 68 LYS CG C 27.05 0.20 1 770 415 68 LYS CE C 41.96 0.20 1 771 415 68 LYS N N 119.97 0.20 1 772 416 69 SER H H 8.66 0.02 1 773 416 69 SER HA H 3.95 0.02 1 774 416 69 SER HB2 H 3.84 0.02 2 775 416 69 SER HB3 H 3.67 0.02 2 776 416 69 SER HG H 4.18 0.02 1 777 416 69 SER C C 173.89 0.20 1 778 416 69 SER CA C 62.78 0.20 1 779 416 69 SER CB C 62.66 0.20 1 780 416 69 SER N N 113.88 0.20 1 781 417 70 THR H H 7.88 0.02 1 782 417 70 THR HA H 4.37 0.02 1 783 417 70 THR HB H 3.68 0.02 1 784 417 70 THR HG2 H 1.24 0.02 1 785 417 70 THR C C 172.67 0.20 1 786 417 70 THR CA C 68.62 0.20 1 787 417 70 THR CB C 68.37 0.20 1 788 417 70 THR CG2 C 20.95 0.20 1 789 417 70 THR N N 120.99 0.20 1 790 418 71 MET H H 7.61 0.02 1 791 418 71 MET HA H 4.08 0.02 1 792 418 71 MET HB2 H 2.18 0.02 2 793 418 71 MET HB3 H 2.18 0.02 2 794 418 71 MET HG2 H 2.72 0.02 2 795 418 71 MET HG3 H 2.49 0.02 2 796 418 71 MET HE H 2.05 0.02 1 797 418 71 MET C C 176.70 0.20 1 798 418 71 MET CA C 59.17 0.20 1 799 418 71 MET CB C 31.99 0.20 1 800 418 71 MET CG C 31.91 0.20 1 801 418 71 MET CE C 17.03 0.20 1 802 418 71 MET N N 120.30 0.20 1 803 419 72 LEU H H 7.89 0.02 1 804 419 72 LEU HA H 3.76 0.02 1 805 419 72 LEU HB2 H 1.80 0.02 2 806 419 72 LEU HB3 H 1.20 0.02 2 807 419 72 LEU HG H 1.82 0.02 1 808 419 72 LEU HD1 H 0.90 0.02 2 809 419 72 LEU HD2 H 0.70 0.02 2 810 419 72 LEU C C 174.66 0.20 1 811 419 72 LEU CA C 57.64 0.20 1 812 419 72 LEU CB C 43.29 0.20 1 813 419 72 LEU CG C 26.81 0.20 1 814 419 72 LEU CD1 C 26.92 0.20 2 815 419 72 LEU CD2 C 22.72 0.20 2 816 419 72 LEU N N 120.14 0.20 1 817 420 73 TYR H H 9.00 0.02 1 818 420 73 TYR HA H 3.88 0.02 1 819 420 73 TYR HB2 H 2.90 0.02 2 820 420 73 TYR HB3 H 2.90 0.02 2 821 420 73 TYR HD1 H 7.04 0.02 3 822 420 73 TYR HD2 H 7.04 0.02 3 823 420 73 TYR HE1 H 6.68 0.02 3 824 420 73 TYR HE2 H 6.68 0.02 3 825 420 73 TYR C C 173.78 0.20 1 826 420 73 TYR CA C 62.56 0.20 1 827 420 73 TYR CB C 38.37 0.20 1 828 420 73 TYR CD2 C 132.87 0.20 3 829 420 73 TYR CE2 C 118.21 0.20 3 830 420 73 TYR N N 120.12 0.20 1 831 421 74 ASN H H 8.02 0.02 1 832 421 74 ASN HA H 4.04 0.02 1 833 421 74 ASN HB2 H 2.81 0.02 2 834 421 74 ASN HB3 H 2.67 0.02 2 835 421 74 ASN HD22 H 6.85 0.02 2 836 421 74 ASN C C 174.55 0.20 1 837 421 74 ASN CA C 55.55 0.20 1 838 421 74 ASN CB C 37.48 0.20 1 839 421 74 ASN N N 114.87 0.20 1 840 421 74 ASN ND2 N 111.50 0.20 1 841 422 75 LYS H H 7.52 0.02 1 842 422 75 LYS HA H 3.87 0.02 1 843 422 75 LYS HB2 H 1.60 0.02 2 844 422 75 LYS HB3 H 1.50 0.02 2 845 422 75 LYS HG2 H 1.23 0.02 2 846 422 75 LYS HG3 H 0.89 0.02 2 847 422 75 LYS HD3 H 1.25 0.02 2 848 422 75 LYS C C 175.72 0.20 1 849 422 75 LYS CA C 58.87 0.20 1 850 422 75 LYS CB C 32.48 0.20 1 851 422 75 LYS CG C 24.85 0.20 1 852 422 75 LYS CD C 29.70 0.20 1 853 422 75 LYS N N 119.75 0.20 1 854 423 76 PHE H H 7.62 0.02 1 855 423 76 PHE HA H 4.53 0.02 1 856 423 76 PHE HB2 H 3.08 0.02 2 857 423 76 PHE HB3 H 2.61 0.02 2 858 423 76 PHE HD1 H 6.99 0.02 3 859 423 76 PHE HD2 H 6.99 0.02 3 860 423 76 PHE C C 174.00 0.20 1 861 423 76 PHE CA C 57.93 0.20 1 862 423 76 PHE CB C 39.29 0.20 1 863 423 76 PHE N N 115.49 0.20 1 864 424 77 LYS H H 7.87 0.02 1 865 424 77 LYS HA H 3.93 0.02 1 866 424 77 LYS HB2 H 1.34 0.02 2 867 424 77 LYS HB3 H 1.23 0.02 2 868 424 77 LYS HG2 H 1.12 0.02 2 869 424 77 LYS HG3 H 0.95 0.02 2 870 424 77 LYS HD2 H 1.41 0.02 2 871 424 77 LYS HD3 H 1.32 0.02 2 872 424 77 LYS HE2 H 2.86 0.02 2 873 424 77 LYS HE3 H 2.86 0.02 2 874 424 77 LYS C C 173.52 0.20 1 875 424 77 LYS CA C 56.95 0.20 1 876 424 77 LYS CB C 31.38 0.20 1 877 424 77 LYS CG C 23.36 0.20 1 878 424 77 LYS CD C 28.65 0.20 1 879 424 77 LYS CE C 42.09 0.20 1 880 424 77 LYS N N 118.02 0.20 1 881 425 78 ASN H H 7.73 0.02 1 882 425 78 ASN HA H 4.69 0.02 1 883 425 78 ASN HB2 H 2.84 0.02 2 884 425 78 ASN HB3 H 2.59 0.02 2 885 425 78 ASN HD21 H 7.49 0.02 2 886 425 78 ASN HD22 H 6.78 0.02 2 887 425 78 ASN C C 171.49 0.20 1 888 425 78 ASN CA C 53.29 0.20 1 889 425 78 ASN CB C 38.90 0.20 1 890 425 78 ASN N N 117.70 0.20 1 891 425 78 ASN ND2 N 112.79 0.20 1 892 426 79 MET H H 7.47 0.02 1 893 426 79 MET HA H 4.09 0.02 1 894 426 79 MET HB2 H 2.00 0.02 2 895 426 79 MET HB3 H 1.88 0.02 2 896 426 79 MET HG2 H 2.54 0.02 2 897 426 79 MET HG3 H 2.43 0.02 2 898 426 79 MET HE H 1.94 0.02 1 899 426 79 MET CA C 57.84 0.20 1 900 426 79 MET CB C 33.89 0.20 1 901 426 79 MET CG C 32.59 0.20 1 902 426 79 MET CE C 17.06 0.20 1 903 426 79 MET N N 124.97 0.20 1 stop_ save_ save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1397 9 PHE HA H 4.55 0.02 1 2 1397 9 PHE HB2 H 2.92 0.02 2 3 1397 9 PHE HB3 H 2.62 0.02 2 4 1398 10 TYR H H 8.17 0.02 1 5 1398 10 TYR HA H 4.40 0.02 1 6 1398 10 TYR HB2 H 3.01 0.02 2 7 1398 10 TYR HB3 H 2.59 0.02 2 8 1398 10 TYR HD1 H 6.98 0.02 3 9 1398 10 TYR HD2 H 6.98 0.02 3 10 1400 12 PHE HA H 4.59 0.02 1 11 1400 12 PHE HB2 H 3.18 0.02 2 12 1400 12 PHE HB3 H 2.79 0.02 2 13 1400 12 PHE HD1 H 7.32 0.02 3 14 1400 12 PHE HD2 H 7.32 0.02 3 15 1400 12 PHE HE1 H 7.24 0.02 3 16 1400 12 PHE HE2 H 7.24 0.02 3 17 1400 12 PHE HZ H 7.14 0.02 1 18 1401 13 GLU HA H 4.29 0.02 1 19 1402 14 GLU H H 8.43 0.02 1 20 1402 14 GLU HA H 4.17 0.02 1 21 1403 15 ALA H H 8.25 0.02 1 22 1403 15 ALA HB H 1.31 0.02 1 23 1404 16 ASP H H 7.80 0.02 1 24 1404 16 ASP HA H 4.29 0.02 1 25 1404 16 ASP HB3 H 2.51 0.02 2 stop_ save_