data_25343 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Talin-F3 / RIAM N-terminal Peptide complex ; _BMRB_accession_number 25343 _BMRB_flat_file_name bmr25343.str _Entry_type original _Submission_date 2014-11-13 _Accession_date 2014-11-13 _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 Yang Jun . . 2 Zhu Liang . . 3 Zhang Hao . . 4 Hirbawi Jamila . . 5 Fukuda Koichi . . 6 Dwivedi Pallavi . . 7 Liu Jianmin . . 8 Byzova Tatiana . . 9 Plow Edward F. . 10 Wu Jinhua . . 11 Qin Jun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 603 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-12-15 original author . stop_ _Original_release_date 2014-12-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Conformational activation of talin by RIAM triggers integrin-mediated cell adhesion' _Citation_status 'in press' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Jun . . 2 Zhu Liang . . 3 Zhang Hao . . 4 Hirbawi Jamila . . 5 Fukuda Koichi . . 6 Dwivedi Pallavi . . 7 Liu Jianmin . . 8 Byzova Tatiana . . 9 Plow Edward . . 10 Wu Jinhua . . 11 Qin Jun . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Talin-F3 / RIAM N-terminal Peptide complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RIAM-N_peptide $RIAM-N_peptide Talin-F3 $Talin-F3 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_RIAM-N_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RIAM-N_peptide _Molecular_mass 2642.966 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 24 _Mol_residue_sequence ; DIDQMFSTLLGEMDLLTQSL GVDT ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ASP 2 2 ILE 3 3 ASP 4 4 GLN 5 5 MET 6 6 PHE 7 7 SER 8 8 THR 9 9 LEU 10 10 LEU 11 11 GLY 12 12 GLU 13 13 MET 14 14 ASP 15 15 LEU 16 16 LEU 17 17 THR 18 18 GLN 19 19 SER 20 20 LEU 21 21 GLY 22 22 VAL 23 23 ASP 24 24 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 2MWN "Talin-f3 / Riam N-terminal Peptide Complex" 100.00 24 100.00 100.00 8.72e-06 PDB 3ZDL "Vinculin Head (1-258) In Complex With A Riam Fragment" 100.00 32 100.00 100.00 6.76e-06 PDB 4W8P "Crystal Structure Of Riam Tbs1 In Complex With Talin R7r8 Domains" 79.17 21 100.00 100.00 1.54e-02 DBJ BAA91384 "unnamed protein product [Homo sapiens]" 100.00 288 100.00 100.00 5.31e-05 DBJ BAC30983 "unnamed protein product [Mus musculus]" 100.00 282 100.00 100.00 2.84e-05 DBJ BAC41256 "proline-rich protein 73 [Homo sapiens]" 100.00 666 100.00 100.00 1.99e-06 DBJ BAE36853 "unnamed protein product [Mus musculus]" 100.00 201 100.00 100.00 6.60e-06 DBJ BAG64612 "unnamed protein product [Homo sapiens]" 100.00 635 100.00 100.00 1.94e-06 EMBL CAM24322 "amyloid beta (A4) precursor protein-binding, family B, member 1 interacting protein [Mus musculus]" 100.00 670 100.00 100.00 1.99e-06 GB AAH23110 "Amyloid beta (A4) precursor protein-binding, family B, member 1 interacting protein [Mus musculus]" 100.00 668 100.00 100.00 1.99e-06 GB AAH35636 "APBB1IP protein [Homo sapiens]" 100.00 172 100.00 100.00 3.16e-06 GB AAH54516 "Amyloid beta (A4) precursor protein-binding, family B, member 1 interacting protein [Homo sapiens]" 100.00 666 100.00 100.00 1.99e-06 GB AAN75525 "Rap1-interacting adaptor molecule [Homo sapiens]" 100.00 665 100.00 100.00 1.98e-06 GB AIC60178 "APBB1IP, partial [synthetic construct]" 100.00 172 100.00 100.00 3.16e-06 REF NP_001094047 "amyloid beta A4 precursor protein-binding family B member 1-interacting protein [Rattus norvegicus]" 100.00 664 100.00 100.00 1.98e-06 REF NP_061916 "amyloid beta A4 precursor protein-binding family B member 1-interacting protein [Homo sapiens]" 100.00 666 100.00 100.00 1.99e-06 REF NP_062329 "amyloid beta A4 precursor protein-binding family B member 1-interacting protein [Mus musculus]" 100.00 670 100.00 100.00 1.99e-06 REF XP_001101993 "PREDICTED: amyloid beta A4 precursor protein-binding family B member 1-interacting protein [Macaca mulatta]" 100.00 662 100.00 100.00 1.98e-06 REF XP_003269424 "PREDICTED: amyloid beta A4 precursor protein-binding family B member 1-interacting protein [Nomascus leucogenys]" 100.00 667 100.00 100.00 1.99e-06 SP Q7Z5R6 "RecName: Full=Amyloid beta A4 precursor protein-binding family B member 1-interacting protein; AltName: Full=APBB1-interacting " 100.00 666 100.00 100.00 1.99e-06 SP Q8R5A3 "RecName: Full=Amyloid beta A4 precursor protein-binding family B member 1-interacting protein; AltName: Full=APBB1-interacting " 100.00 670 100.00 100.00 1.99e-06 stop_ save_ save_Talin-F3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Talin-F3 _Molecular_mass 10696.451 _Mol_thiol_state 'all free' _Details . _Residue_count 93 _Mol_residue_sequence ; YGVSFFLVKEKMKGKNKLVP RLLGITKECVMRVDEKTKEV IQEWSLTNIKRWAASPKSFT LDFGDYQDGYYSVQTTEGEQ IAQLIAGYIDIIL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 308 TYR 2 309 GLY 3 310 VAL 4 311 SER 5 312 PHE 6 313 PHE 7 314 LEU 8 315 VAL 9 316 LYS 10 317 GLU 11 318 LYS 12 319 MET 13 320 LYS 14 321 GLY 15 322 LYS 16 323 ASN 17 324 LYS 18 325 LEU 19 326 VAL 20 327 PRO 21 328 ARG 22 329 LEU 23 330 LEU 24 331 GLY 25 332 ILE 26 333 THR 27 334 LYS 28 335 GLU 29 336 CYS 30 337 VAL 31 338 MET 32 339 ARG 33 340 VAL 34 341 ASP 35 342 GLU 36 343 LYS 37 344 THR 38 345 LYS 39 346 GLU 40 347 VAL 41 348 ILE 42 349 GLN 43 350 GLU 44 351 TRP 45 352 SER 46 353 LEU 47 354 THR 48 355 ASN 49 356 ILE 50 357 LYS 51 358 ARG 52 359 TRP 53 360 ALA 54 361 ALA 55 362 SER 56 363 PRO 57 364 LYS 58 365 SER 59 366 PHE 60 367 THR 61 368 LEU 62 369 ASP 63 370 PHE 64 371 GLY 65 372 ASP 66 373 TYR 67 374 GLN 68 375 ASP 69 376 GLY 70 377 TYR 71 378 TYR 72 379 SER 73 380 VAL 74 381 GLN 75 382 THR 76 383 THR 77 384 GLU 78 385 GLY 79 386 GLU 80 387 GLN 81 388 ILE 82 389 ALA 83 390 GLN 84 391 LEU 85 392 ILE 86 393 ALA 87 394 GLY 88 395 TYR 89 396 ILE 90 397 ASP 91 398 ILE 92 399 ILE 93 400 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 BMRB 15792 talin-F2F3 100.00 201 100.00 100.00 1.00e-59 BMRB 16932 F2F3 100.00 216 100.00 100.00 1.93e-59 PDB 1MIX "Crystal Structure Of A Ferm Domain Of Talin" 100.00 206 100.00 100.00 1.66e-59 PDB 1MIZ "Crystal Structure Of An Integrin Beta3-Talin Chimera" 100.00 201 100.00 100.00 1.15e-59 PDB 1MK7 "Crystal Structure Of An Integrin Beta3-Talin Chimera" 100.00 192 100.00 100.00 1.19e-59 PDB 1MK9 "Crystal Structure Of An Integrin Beta3-Talin Chimera" 100.00 192 100.00 100.00 1.19e-59 PDB 1Y19 "Structural Basis For Phosphatidylinositol Phosphate Kinase Type I-Gamma Binding To Talin At Focal Adhesions" 100.00 202 100.00 100.00 9.97e-60 PDB 2G35 "Nmr Structure Of Talin-Ptb In Complex With Pipki" 100.00 100 100.00 100.00 1.20e-60 PDB 2H7D "Solution Structure Of The Talin F3 Domain In Complex With A Chimeric Beta3 Integrin-Pip Kinase Peptide" 98.92 101 98.91 98.91 2.46e-58 PDB 2H7E "Solution Structure Of The Talin F3 Domain In Complex With A Chimeric Beta3 Integrin-Pip Kinase Peptide- Minimized Average Struc" 98.92 101 98.91 98.91 2.46e-58 PDB 2K00 "Solution Structure Of The Talin F3 In Complex With Layilin Cytodomain" 98.92 92 100.00 100.00 1.60e-59 PDB 2KGX "Haddock Structure Of The Talin F3 Domain In Complex With Talin 1655-1822" 96.77 91 98.89 98.89 6.66e-57 PDB 2MWN "Talin-f3 / Riam N-terminal Peptide Complex" 100.00 93 100.00 100.00 2.03e-60 PDB 3IVF "Crystal Structure Of The Talin Head Ferm Domain" 100.00 371 100.00 100.00 9.86e-58 PDB 4F7G "Crystal Structure Of Talin Autoinhibition Complex" 100.00 222 100.00 100.00 5.94e-60 DBJ BAA82979 "KIAA1027 protein [Homo sapiens]" 100.00 2550 98.92 100.00 1.38e-55 DBJ BAC30516 "unnamed protein product [Mus musculus]" 98.92 300 100.00 100.00 3.01e-58 DBJ BAC65702 "mKIAA1027 protein [Mus musculus]" 100.00 2564 100.00 100.00 3.47e-56 DBJ BAE27781 "unnamed protein product [Mus musculus]" 100.00 2541 100.00 100.00 3.62e-56 DBJ BAG09941 "talin-1 [synthetic construct]" 100.00 2541 98.92 100.00 1.17e-55 EMBL CAA39588 "talin [Mus musculus]" 100.00 2541 100.00 100.00 3.45e-56 EMBL CDQ87146 "unnamed protein product [Oncorhynchus mykiss]" 100.00 734 98.92 100.00 3.42e-55 GB AAD13152 "talin [Homo sapiens]" 100.00 2541 98.92 100.00 1.10e-55 GB AAF23322 "talin [Homo sapiens]" 100.00 2541 98.92 100.00 1.10e-55 GB AAF27330 "talin [Homo sapiens]" 100.00 2540 98.92 100.00 1.17e-55 GB AAH42923 "Talin 1 [Homo sapiens]" 100.00 2541 98.92 100.00 1.43e-55 GB AAI21760 "Tln1 protein [Danio rerio]" 100.00 405 98.92 98.92 4.63e-56 PRF 1617167A talin 100.00 2541 100.00 100.00 3.45e-56 REF NP_001034114 "talin-1 [Rattus norvegicus]" 100.00 2541 100.00 100.00 3.45e-56 REF NP_001192357 "talin-1 [Bos taurus]" 100.00 2541 98.92 100.00 1.10e-55 REF NP_006280 "talin-1 [Homo sapiens]" 100.00 2541 98.92 100.00 1.17e-55 REF NP_035732 "talin-1 [Mus musculus]" 100.00 2541 100.00 100.00 3.45e-56 REF NP_989854 "talin-1 [Gallus gallus]" 100.00 2541 100.00 100.00 1.17e-55 SP P26039 "RecName: Full=Talin-1 [Mus musculus]" 100.00 2541 100.00 100.00 3.45e-56 SP P54939 "RecName: Full=Talin-1 [Gallus gallus]" 100.00 2541 100.00 100.00 1.17e-55 SP Q9Y490 "RecName: Full=Talin-1 [Homo sapiens]" 100.00 2541 98.92 100.00 1.17e-55 TPG DAA26829 "TPA: talin 1 [Bos taurus]" 100.00 2541 98.92 100.00 1.17e-55 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RIAM-N_peptide Human 9606 Eukaryota Metazoa Homo sapiens $Talin-F3 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_type _Vector_name $RIAM-N_peptide 'chemical synthesis' . . . . na na $Talin-F3 'recombinant technology' . . . . plasmid pET30Xa/LIC 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 $Talin-F3 0.5 mM [U-15N] 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' DSS 1 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RIAM-N_peptide 1.5 mM 'natural abundance' $Talin-F3 0.5 mM '[U-15N; U-2H]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' DSS 1 mM 'natural abundance' D2O 5 % 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'data analysis' 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_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Procheck _Saveframe_category software _Name Procheck _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . stop_ loop_ _Task evaluation stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_(N/C-filtered)_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY (N/C-filtered)' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_(N/C-filtered)_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY (N/C-filtered)' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 273 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 50 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '2D 1H-1H TOCSY (N/C-filtered)' '2D 1H-1H NOESY (N/C-filtered)' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name RIAM-N_peptide _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 7 1 ASP HA H 4.150 0.03 1 2 7 1 ASP HB2 H 2.745 0.03 1 3 7 1 ASP HB3 H 2.590 0.03 1 4 8 2 ILE HA H 4.065 0.03 1 5 8 2 ILE HB H 1.760 0.03 1 6 8 2 ILE HG12 H 1.348 0.03 1 7 8 2 ILE HG13 H 1.076 0.03 1 8 8 2 ILE HG2 H 0.808 0.03 1 9 8 2 ILE HD1 H 0.755 0.03 1 10 9 3 ASP H H 8.333 0.03 1 11 9 3 ASP HA H 4.450 0.03 1 12 9 3 ASP HB2 H 2.598 0.03 1 13 9 3 ASP HB3 H 2.523 0.03 1 14 10 4 GLN H H 8.245 0.03 1 15 10 4 GLN HA H 4.126 0.03 1 16 10 4 GLN HB2 H 1.960 0.03 1 17 10 4 GLN HB3 H 1.854 0.03 1 18 10 4 GLN HG2 H 2.220 0.03 1 19 10 4 GLN HE21 H 7.460 0.03 1 20 10 4 GLN HE22 H 6.780 0.03 1 21 11 5 MET H H 8.282 0.03 1 22 11 5 MET HA H 4.217 0.03 1 23 11 5 MET HB2 H 1.830 0.03 1 24 11 5 MET HG2 H 2.351 0.03 1 25 11 5 MET HG3 H 2.275 0.03 1 26 11 5 MET HE H 1.920 0.03 1 27 12 6 PHE H H 8.110 0.03 1 28 12 6 PHE HA H 4.490 0.03 1 29 12 6 PHE HB2 H 3.083 0.03 1 30 12 6 PHE HB3 H 2.917 0.03 1 31 12 6 PHE HD1 H 7.128 0.03 3 32 12 6 PHE HD2 H 7.128 0.03 3 33 12 6 PHE HE1 H 7.190 0.03 3 34 12 6 PHE HE2 H 7.190 0.03 3 35 13 7 SER H H 8.115 0.03 1 36 13 7 SER HA H 4.299 0.03 1 37 13 7 SER HB2 H 3.804 0.03 1 38 13 7 SER HB3 H 3.720 0.03 1 39 14 8 THR H H 8.048 0.03 1 40 14 8 THR HA H 4.179 0.03 1 41 14 8 THR HB H 4.165 0.03 1 42 14 8 THR HG2 H 1.120 0.03 1 43 15 9 LEU H H 7.900 0.03 1 44 15 9 LEU HA H 4.123 0.03 1 45 15 9 LEU HB2 H 1.575 0.03 1 46 15 9 LEU HB3 H 1.492 0.03 1 47 15 9 LEU HD1 H 0.740 0.03 1 48 15 9 LEU HD2 H 0.799 0.03 1 49 16 10 LEU H H 8.048 0.03 1 50 16 10 LEU HA H 4.213 0.03 1 51 16 10 LEU HB2 H 1.658 0.03 1 52 16 10 LEU HB3 H 1.524 0.03 1 53 16 10 LEU HD1 H 0.770 0.03 1 54 16 10 LEU HD2 H 0.770 0.03 1 55 17 11 GLY H H 8.208 0.03 1 56 17 11 GLY HA2 H 3.775 0.03 1 57 18 12 GLU H H 8.149 0.03 1 58 18 12 GLU HA H 4.123 0.03 1 59 18 12 GLU HB2 H 1.962 0.03 1 60 18 12 GLU HB3 H 1.862 0.03 1 61 18 12 GLU HG2 H 2.170 0.03 1 62 18 12 GLU HG3 H 2.140 0.03 1 63 19 13 MET H H 8.256 0.03 1 64 19 13 MET HA H 4.286 0.03 1 65 19 13 MET HB2 H 1.948 0.03 1 66 19 13 MET HG2 H 2.495 0.03 1 67 19 13 MET HG3 H 2.410 0.03 1 68 19 13 MET HE H 1.950 0.03 1 69 20 14 ASP H H 8.166 0.03 1 70 20 14 ASP HA H 4.443 0.03 1 71 20 14 ASP HB2 H 2.615 0.03 1 72 20 14 ASP HB3 H 2.521 0.03 1 73 21 15 LEU H H 8.000 0.03 1 74 21 15 LEU HA H 4.123 0.03 1 75 21 15 LEU HB2 H 1.575 0.03 1 76 21 15 LEU HB3 H 1.500 0.03 1 77 21 15 LEU HD1 H 0.800 0.03 1 78 21 15 LEU HD2 H 0.740 0.03 1 79 22 16 LEU HD1 H 0.773 0.03 1 80 22 16 LEU HD2 H 0.773 0.03 1 81 23 17 THR H H 7.902 0.03 1 82 23 17 THR HA H 4.122 0.03 1 83 23 17 THR HB H 4.128 0.03 1 84 23 17 THR HG2 H 1.100 0.03 1 85 24 18 GLN H H 8.105 0.03 1 86 24 18 GLN HA H 4.220 0.03 1 87 24 18 GLN HB2 H 2.023 0.03 1 88 24 18 GLN HB3 H 1.910 0.03 1 89 24 18 GLN HG2 H 2.280 0.03 1 90 24 18 GLN HE21 H 7.445 0.03 1 91 24 18 GLN HE22 H 6.755 0.03 1 92 25 19 SER H H 8.210 0.03 1 93 25 19 SER HA H 4.335 0.03 1 94 25 19 SER HB2 H 3.775 0.03 1 95 26 20 LEU H H 8.150 0.03 1 96 26 20 LEU HA H 4.118 0.03 1 97 26 20 LEU HB2 H 1.586 0.03 1 98 26 20 LEU HB3 H 1.499 0.03 1 99 26 20 LEU HD1 H 0.805 0.03 1 100 26 20 LEU HD2 H 0.751 0.03 1 101 27 21 GLY H H 8.266 0.03 1 102 27 21 GLY HA2 H 3.868 0.03 1 103 27 21 GLY HA3 H 3.832 0.03 1 104 28 22 VAL H H 7.853 0.03 1 105 28 22 VAL HA H 4.098 0.03 1 106 28 22 VAL HB H 2.010 0.03 1 107 28 22 VAL HG1 H 0.830 0.03 1 108 28 22 VAL HG2 H 0.795 0.03 1 109 29 23 ASP H H 8.400 0.03 1 110 29 23 ASP HA H 4.604 0.03 1 111 29 23 ASP HB2 H 2.651 0.03 1 112 29 23 ASP HB3 H 2.500 0.03 1 113 30 24 THR H H 7.632 0.03 1 114 30 24 THR HA H 4.015 0.03 1 115 30 24 THR HB H 4.111 0.03 1 116 30 24 THR HG2 H 1.046 0.03 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '2D 1H-1H TOCSY (N/C-filtered)' '2D 1H-1H NOESY (N/C-filtered)' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Talin-F3 _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 1 310 3 VAL H H 6.942 0.03 1 2 310 3 VAL HA H 3.490 0.03 1 3 310 3 VAL HB H 1.625 0.03 1 4 310 3 VAL HG1 H -0.254 0.03 1 5 310 3 VAL HG2 H 0.476 0.03 1 6 310 3 VAL N N 121.600 0.25 1 7 311 4 SER H H 7.380 0.03 1 8 311 4 SER HA H 4.328 0.03 1 9 311 4 SER HB2 H 3.670 0.03 1 10 311 4 SER HB3 H 3.596 0.03 1 11 311 4 SER N N 121.970 0.25 1 12 312 5 PHE H H 8.599 0.03 1 13 312 5 PHE HA H 5.351 0.03 1 14 312 5 PHE HB2 H 2.714 0.03 1 15 312 5 PHE HB3 H 2.642 0.03 1 16 312 5 PHE HD1 H 6.993 0.03 3 17 312 5 PHE HD2 H 6.993 0.03 3 18 312 5 PHE HE1 H 6.824 0.03 3 19 312 5 PHE HE2 H 6.824 0.03 3 20 312 5 PHE N N 123.080 0.25 1 21 313 6 PHE H H 9.097 0.03 1 22 313 6 PHE HA H 4.451 0.03 1 23 313 6 PHE HB2 H 2.943 0.03 1 24 313 6 PHE HB3 H 2.496 0.03 1 25 313 6 PHE HD1 H 7.051 0.03 3 26 313 6 PHE HD2 H 7.051 0.03 3 27 313 6 PHE HE1 H 6.829 0.03 3 28 313 6 PHE HE2 H 6.829 0.03 3 29 313 6 PHE N N 119.100 0.25 1 30 314 7 LEU H H 9.360 0.03 1 31 314 7 LEU HA H 4.906 0.03 1 32 314 7 LEU HB2 H 1.905 0.03 1 33 314 7 LEU HB3 H 1.355 0.03 1 34 314 7 LEU HG H 1.387 0.03 1 35 314 7 LEU HD1 H 0.812 0.03 1 36 314 7 LEU HD2 H 0.812 0.03 1 37 314 7 LEU N N 127.010 0.25 1 38 315 8 VAL H H 9.217 0.03 1 39 315 8 VAL HA H 4.994 0.03 1 40 315 8 VAL HB H 2.081 0.03 1 41 315 8 VAL HG1 H 0.828 0.03 1 42 315 8 VAL HG2 H 0.828 0.03 1 43 315 8 VAL N N 123.470 0.25 1 44 316 9 LYS H H 8.300 0.03 1 45 316 9 LYS HA H 5.097 0.03 1 46 316 9 LYS HB2 H 1.442 0.03 1 47 316 9 LYS HB3 H 1.442 0.03 1 48 316 9 LYS HG2 H 1.075 0.03 1 49 316 9 LYS HG3 H 1.075 0.03 1 50 316 9 LYS N N 116.380 0.25 1 51 317 10 GLU H H 9.133 0.03 1 52 317 10 GLU HA H 4.555 0.03 1 53 317 10 GLU HB2 H 2.001 0.03 1 54 317 10 GLU HB3 H 2.001 0.03 1 55 317 10 GLU HG2 H 2.248 0.03 1 56 317 10 GLU HG3 H 2.248 0.03 1 57 317 10 GLU N N 123.400 0.25 1 58 318 11 LYS H H 8.785 0.03 1 59 318 11 LYS HA H 4.550 0.03 1 60 318 11 LYS HB2 H 1.522 0.03 1 61 318 11 LYS HB3 H 1.522 0.03 1 62 318 11 LYS HG2 H 1.603 0.03 1 63 318 11 LYS HG3 H 1.291 0.03 1 64 318 11 LYS HD2 H 0.892 0.03 1 65 318 11 LYS HD3 H 0.612 0.03 1 66 318 11 LYS HE2 H 2.871 0.03 1 67 318 11 LYS HE3 H 2.871 0.03 1 68 318 11 LYS N N 124.110 0.25 1 69 319 12 MET H H 8.837 0.03 1 70 319 12 MET HA H 4.491 0.03 1 71 319 12 MET HB2 H 2.001 0.03 1 72 319 12 MET HB3 H 2.001 0.03 1 73 319 12 MET HG2 H 2.448 0.03 1 74 319 12 MET HG3 H 2.448 0.03 1 75 319 12 MET HE H 1.793 0.03 1 76 319 12 MET N N 127.070 0.25 1 77 320 13 LYS H H 8.550 0.03 1 78 320 13 LYS HA H 4.028 0.03 1 79 320 13 LYS HB2 H 1.754 0.03 1 80 320 13 LYS HB3 H 1.658 0.03 1 81 320 13 LYS HG2 H 1.402 0.03 1 82 320 13 LYS HG3 H 1.307 0.03 1 83 320 13 LYS HD2 H 1.442 0.03 1 84 320 13 LYS HD3 H 1.442 0.03 1 85 320 13 LYS HE2 H 2.911 0.03 1 86 320 13 LYS HE3 H 2.911 0.03 1 87 320 13 LYS N N 124.970 0.25 1 88 321 14 GLY H H 8.745 0.03 1 89 321 14 GLY HA2 H 3.637 0.03 1 90 321 14 GLY HA3 H 4.020 0.03 1 91 321 14 GLY N N 112.880 0.25 1 92 322 15 LYS H H 7.616 0.03 1 93 322 15 LYS HA H 4.531 0.03 1 94 322 15 LYS HB2 H 1.993 0.03 1 95 322 15 LYS HB3 H 1.786 0.03 1 96 322 15 LYS HG2 H 1.291 0.03 1 97 322 15 LYS HG3 H 1.291 0.03 1 98 322 15 LYS HD2 H 1.610 0.03 1 99 322 15 LYS HD3 H 1.610 0.03 1 100 322 15 LYS HE2 H 2.879 0.03 1 101 322 15 LYS HE3 H 2.879 0.03 1 102 322 15 LYS N N 118.460 0.25 1 103 323 16 ASN HA H 4.602 0.03 1 104 323 16 ASN HB2 H 2.767 0.03 1 105 323 16 ASN HB3 H 2.631 0.03 1 106 324 17 LYS H H 7.353 0.03 1 107 324 17 LYS HA H 4.355 0.03 1 108 324 17 LYS HB2 H 1.602 0.03 1 109 324 17 LYS HB3 H 1.602 0.03 1 110 324 17 LYS HG2 H 1.307 0.03 1 111 324 17 LYS HG3 H 1.307 0.03 1 112 324 17 LYS HD2 H 1.786 0.03 1 113 324 17 LYS HD3 H 1.786 0.03 1 114 324 17 LYS HE2 H 2.879 0.03 1 115 324 17 LYS HE3 H 2.879 0.03 1 116 324 17 LYS N N 119.380 0.25 1 117 325 18 LEU H H 8.392 0.03 1 118 325 18 LEU HA H 4.858 0.03 1 119 325 18 LEU HB2 H 1.570 0.03 1 120 325 18 LEU HB3 H 1.570 0.03 1 121 325 18 LEU HD1 H 0.732 0.03 1 122 325 18 LEU HD2 H 0.636 0.03 1 123 325 18 LEU N N 124.200 0.25 1 124 326 19 VAL H H 9.203 0.03 1 125 326 19 VAL HA H 4.850 0.03 1 126 326 19 VAL HB H 2.025 0.03 1 127 326 19 VAL HG1 H 0.900 0.03 1 128 326 19 VAL HG2 H 0.900 0.03 1 129 326 19 VAL N N 122.170 0.25 1 130 327 20 PRO HA H 4.978 0.03 1 131 327 20 PRO HB2 H 2.105 0.03 1 132 328 21 ARG H H 9.116 0.03 1 133 328 21 ARG HA H 4.323 0.03 1 134 328 21 ARG HB2 H 1.762 0.03 1 135 328 21 ARG HB3 H 1.762 0.03 1 136 328 21 ARG HG2 H 1.801 0.03 1 137 328 21 ARG HG3 H 1.634 0.03 1 138 328 21 ARG N N 122.640 0.25 1 139 329 22 LEU H H 8.218 0.03 1 140 329 22 LEU HA H 4.906 0.03 1 141 329 22 LEU HD1 H 0.413 0.03 1 142 329 22 LEU HD2 H 0.684 0.03 1 143 329 22 LEU N N 123.510 0.25 1 144 330 23 LEU H H 9.676 0.03 1 145 330 23 LEU HA H 5.369 0.03 1 146 330 23 LEU HB2 H 1.355 0.03 1 147 330 23 LEU HB3 H 2.129 0.03 1 148 330 23 LEU HG H 1.099 0.03 1 149 330 23 LEU HD1 H 0.828 0.03 1 150 330 23 LEU HD2 H 0.828 0.03 1 151 330 23 LEU N N 127.920 0.25 1 152 331 24 GLY H H 9.661 0.03 1 153 331 24 GLY N N 114.270 0.25 1 154 332 25 ILE H H 8.636 0.03 1 155 332 25 ILE HA H 5.009 0.03 1 156 332 25 ILE HB H 1.817 0.03 1 157 332 25 ILE HG12 H 1.331 0.03 1 158 332 25 ILE HG13 H 1.331 0.03 1 159 332 25 ILE HG2 H 0.884 0.03 1 160 332 25 ILE HD1 H 0.692 0.03 1 161 332 25 ILE N N 123.490 0.25 1 162 333 26 THR H H 8.963 0.03 1 163 333 26 THR HA H 4.780 0.03 1 164 333 26 THR HB H 4.602 0.03 1 165 333 26 THR HG2 H 1.051 0.03 1 166 333 26 THR N N 121.650 0.25 1 167 334 27 LYS H H 7.514 0.03 1 168 334 27 LYS HA H 4.395 0.03 1 169 334 27 LYS HB2 H 1.394 0.03 1 170 334 27 LYS HB3 H 1.394 0.03 1 171 334 27 LYS HE2 H 2.767 0.03 1 172 334 27 LYS HE3 H 2.767 0.03 1 173 334 27 LYS N N 112.800 0.25 1 174 335 28 GLU H H 7.850 0.03 1 175 335 28 GLU HA H 4.610 0.03 1 176 335 28 GLU HB2 H 1.697 0.03 1 177 335 28 GLU HB3 H 1.697 0.03 1 178 335 28 GLU HG2 H 1.977 0.03 1 179 335 28 GLU HG3 H 1.977 0.03 1 180 335 28 GLU N N 111.860 0.25 1 181 336 29 CYS H H 7.983 0.03 1 182 336 29 CYS HA H 5.337 0.03 1 183 336 29 CYS HB2 H 2.807 0.03 1 184 336 29 CYS HB3 H 2.671 0.03 1 185 336 29 CYS N N 119.090 0.25 1 186 337 30 VAL H H 8.672 0.03 1 187 337 30 VAL HA H 5.001 0.03 1 188 337 30 VAL HB H 2.041 0.03 1 189 337 30 VAL HG1 H 1.011 0.03 1 190 337 30 VAL HG2 H 0.740 0.03 1 191 337 30 VAL N N 118.050 0.25 1 192 338 31 MET H H 9.695 0.03 1 193 338 31 MET HA H 5.322 0.03 1 194 338 31 MET HB2 H 1.953 0.03 1 195 338 31 MET HB3 H 1.698 0.03 1 196 338 31 MET HG2 H 2.248 0.03 1 197 338 31 MET HG3 H 2.248 0.03 1 198 338 31 MET N N 122.190 0.25 1 199 339 32 ARG H H 8.625 0.03 1 200 339 32 ARG HA H 4.874 0.03 1 201 339 32 ARG HB2 H 1.522 0.03 1 202 339 32 ARG HB3 H 1.522 0.03 1 203 339 32 ARG HG2 H 1.642 0.03 1 204 339 32 ARG HG3 H 1.642 0.03 1 205 339 32 ARG N N 121.800 0.25 1 206 340 33 VAL H H 9.405 0.03 1 207 340 33 VAL HB H 1.929 0.03 1 208 340 33 VAL HG1 H 0.684 0.03 1 209 340 33 VAL HG2 H 0.852 0.03 1 210 340 33 VAL N N 126.160 0.25 1 211 341 34 ASP H H 8.602 0.03 1 212 341 34 ASP HA H 4.379 0.03 1 213 341 34 ASP HB2 H 2.344 0.03 1 214 341 34 ASP HB3 H 3.022 0.03 1 215 341 34 ASP N N 128.290 0.25 1 216 342 35 GLU H H 9.343 0.03 1 217 342 35 GLU HA H 3.717 0.03 1 218 342 35 GLU HB2 H 1.801 0.03 1 219 342 35 GLU HB3 H 1.801 0.03 1 220 342 35 GLU HG2 H 2.057 0.03 1 221 342 35 GLU HG3 H 1.929 0.03 1 222 342 35 GLU N N 128.450 0.25 1 223 343 36 LYS H H 8.664 0.03 1 224 343 36 LYS HA H 4.323 0.03 1 225 343 36 LYS HB2 H 1.890 0.03 1 226 343 36 LYS HB3 H 1.890 0.03 1 227 343 36 LYS HG2 H 1.250 0.03 1 228 343 36 LYS HG3 H 1.410 0.03 1 229 343 36 LYS HD2 H 1.610 0.03 1 230 343 36 LYS HD3 H 1.610 0.03 1 231 343 36 LYS N N 119.400 0.25 1 232 344 37 THR H H 8.658 0.03 1 233 344 37 THR HA H 4.068 0.03 1 234 344 37 THR HB H 4.355 0.03 1 235 344 37 THR HG2 H 1.131 0.03 1 236 344 37 THR N N 109.700 0.25 1 237 345 38 LYS H H 7.711 0.03 1 238 345 38 LYS HA H 3.733 0.03 1 239 345 38 LYS HB2 H 1.929 0.03 1 240 345 38 LYS HB3 H 1.929 0.03 1 241 345 38 LYS N N 117.000 0.25 1 242 346 39 GLU H H 7.383 0.03 1 243 346 39 GLU HA H 4.068 0.03 1 244 346 39 GLU HB2 H 1.730 0.03 1 245 346 39 GLU HB3 H 1.650 0.03 1 246 346 39 GLU HG2 H 2.097 0.03 1 247 346 39 GLU HG3 H 1.961 0.03 1 248 346 39 GLU N N 116.230 0.25 1 249 347 40 VAL H H 8.745 0.03 1 250 347 40 VAL HA H 3.844 0.03 1 251 347 40 VAL HB H 1.937 0.03 1 252 347 40 VAL HG1 H 0.684 0.03 1 253 347 40 VAL HG2 H 0.876 0.03 1 254 347 40 VAL N N 124.260 0.25 1 255 348 41 ILE H H 8.855 0.03 1 256 348 41 ILE HA H 3.916 0.03 1 257 348 41 ILE HB H 1.331 0.03 1 258 348 41 ILE N N 128.200 0.25 1 259 349 42 GLN H H 7.291 0.03 1 260 349 42 GLN HB2 H 0.684 0.03 1 261 349 42 GLN HB3 H 0.892 0.03 1 262 349 42 GLN HG2 H 1.490 0.03 1 263 349 42 GLN HG3 H 1.490 0.03 1 264 349 42 GLN N N 118.280 0.25 1 265 350 43 GLU H H 8.076 0.03 1 266 350 43 GLU HA H 4.834 0.03 1 267 350 43 GLU HB2 H 1.610 0.03 1 268 350 43 GLU HB3 H 1.610 0.03 1 269 350 43 GLU HG2 H 1.817 0.03 1 270 350 43 GLU HG3 H 1.817 0.03 1 271 350 43 GLU N N 123.100 0.25 1 272 351 44 TRP H H 9.254 0.03 1 273 351 44 TRP HA H 4.786 0.03 1 274 351 44 TRP HB2 H 2.815 0.03 1 275 351 44 TRP HB3 H 2.651 0.03 1 276 351 44 TRP HD1 H 6.391 0.03 1 277 351 44 TRP HE1 H 8.973 0.03 1 278 351 44 TRP HE3 H 7.014 0.03 1 279 351 44 TRP HZ2 H 6.755 0.03 1 280 351 44 TRP HZ3 H 6.586 0.03 1 281 351 44 TRP HH2 H 6.523 0.03 1 282 351 44 TRP N N 122.210 0.25 1 283 351 44 TRP NE1 N 128.900 0.25 1 284 352 45 SER H H 8.701 0.03 1 285 352 45 SER HA H 4.602 0.03 1 286 352 45 SER HB2 H 3.836 0.03 1 287 352 45 SER HB3 H 3.836 0.03 1 288 352 45 SER N N 117.200 0.25 1 289 353 46 LEU H H 8.106 0.03 1 290 353 46 LEU HA H 3.900 0.03 1 291 353 46 LEU HB2 H 1.331 0.03 1 292 353 46 LEU HB3 H 1.331 0.03 1 293 353 46 LEU HD1 H 0.740 0.03 1 294 353 46 LEU HD2 H 0.740 0.03 1 295 353 46 LEU N N 126.580 0.25 1 296 354 47 THR H H 7.723 0.03 1 297 354 47 THR HA H 3.932 0.03 1 298 354 47 THR HB H 4.243 0.03 1 299 354 47 THR HG2 H 1.187 0.03 1 300 354 47 THR N N 105.810 0.25 1 301 355 48 ASN H H 7.641 0.03 1 302 355 48 ASN HA H 4.754 0.03 1 303 355 48 ASN HB2 H 2.967 0.03 1 304 355 48 ASN HB3 H 2.639 0.03 1 305 355 48 ASN N N 118.030 0.25 1 306 356 49 ILE H H 7.230 0.03 1 307 356 49 ILE HA H 3.557 0.03 1 308 356 49 ILE HB H 1.865 0.03 1 309 356 49 ILE HG12 H 1.626 0.03 1 310 356 49 ILE HG13 H 1.323 0.03 1 311 356 49 ILE HG2 H 0.732 0.03 1 312 356 49 ILE HD1 H 0.924 0.03 1 313 356 49 ILE N N 119.450 0.25 1 314 357 50 LYS H H 8.894 0.03 1 315 357 50 LYS HA H 4.267 0.03 1 316 357 50 LYS HB2 H 1.490 0.03 1 317 357 50 LYS HB3 H 1.490 0.03 1 318 357 50 LYS N N 127.890 0.25 1 319 358 51 ARG H H 7.798 0.03 1 320 358 51 ARG HA H 4.100 0.03 1 321 358 51 ARG HB2 H 1.618 0.03 1 322 358 51 ARG HB3 H 1.410 0.03 1 323 358 51 ARG HG2 H 1.155 0.03 1 324 358 51 ARG HG3 H 1.155 0.03 1 325 358 51 ARG HD2 H 2.855 0.03 1 326 358 51 ARG HD3 H 2.496 0.03 1 327 358 51 ARG N N 114.690 0.25 1 328 359 52 TRP H H 7.266 0.03 1 329 359 52 TRP HA H 5.073 0.03 1 330 359 52 TRP HB2 H 2.863 0.03 1 331 359 52 TRP HB3 H 3.078 0.03 1 332 359 52 TRP HD1 H 6.697 0.03 1 333 359 52 TRP HE1 H 10.170 0.03 1 334 359 52 TRP HE3 H 6.903 0.03 1 335 359 52 TRP HZ2 H 7.294 0.03 1 336 359 52 TRP HZ3 H 6.787 0.03 1 337 359 52 TRP HH2 H 7.040 0.03 1 338 359 52 TRP N N 117.630 0.25 1 339 359 52 TRP NE1 N 129.400 0.25 1 340 360 53 ALA H H 8.264 0.03 1 341 360 53 ALA HA H 4.355 0.03 1 342 360 53 ALA HB H 0.988 0.03 1 343 360 53 ALA N N 120.240 0.25 1 344 361 54 ALA H H 8.921 0.03 1 345 361 54 ALA HA H 5.057 0.03 1 346 361 54 ALA HB H 1.339 0.03 1 347 361 54 ALA N N 124.560 0.25 1 348 362 55 SER H H 8.842 0.03 1 349 362 55 SER HA H 4.962 0.03 1 350 362 55 SER HB2 H 3.844 0.03 1 351 362 55 SER HB3 H 4.228 0.03 1 352 362 55 SER N N 120.460 0.25 1 353 363 56 PRO HA H 4.443 0.03 1 354 363 56 PRO HB2 H 1.746 0.03 1 355 363 56 PRO HB3 H 1.746 0.03 1 356 363 56 PRO HD2 H 3.605 0.03 1 357 363 56 PRO HD3 H 3.605 0.03 1 358 364 57 LYS H H 7.669 0.03 1 359 364 57 LYS HB2 H 1.881 0.03 1 360 364 57 LYS HB3 H 1.881 0.03 1 361 364 57 LYS HG2 H 1.211 0.03 1 362 364 57 LYS HG3 H 1.211 0.03 1 363 364 57 LYS HD2 H 1.530 0.03 1 364 364 57 LYS HD3 H 1.530 0.03 1 365 364 57 LYS N N 111.080 0.25 1 366 365 58 SER H H 7.662 0.03 1 367 365 58 SER HA H 5.480 0.03 1 368 365 58 SER HB2 H 3.637 0.03 1 369 365 58 SER HB3 H 3.637 0.03 1 370 365 58 SER N N 114.900 0.25 1 371 366 59 PHE H H 8.537 0.03 1 372 366 59 PHE HA H 4.970 0.03 1 373 366 59 PHE HD1 H 6.861 0.03 3 374 366 59 PHE HD2 H 6.861 0.03 3 375 366 59 PHE N N 119.360 0.25 1 376 367 60 THR H H 7.869 0.03 1 377 367 60 THR HG2 H 0.980 0.03 1 378 367 60 THR N N 122.790 0.25 1 379 368 61 LEU H H 8.904 0.03 1 380 368 61 LEU HA H 4.235 0.03 1 381 368 61 LEU HB2 H 1.394 0.03 1 382 368 61 LEU HB3 H 1.394 0.03 1 383 368 61 LEU HD1 H 0.684 0.03 1 384 368 61 LEU HD2 H 0.732 0.03 1 385 368 61 LEU N N 124.200 0.25 1 386 369 62 ASP H H 7.824 0.03 1 387 369 62 ASP HA H 4.954 0.03 1 388 369 62 ASP HB2 H 2.743 0.03 1 389 369 62 ASP HB3 H 2.879 0.03 1 390 369 62 ASP N N 120.040 0.25 1 391 370 63 PHE H H 8.921 0.03 1 392 370 63 PHE HB2 H 2.863 0.03 1 393 370 63 PHE HB3 H 3.358 0.03 1 394 370 63 PHE N N 124.450 0.25 1 395 371 64 GLY H H 8.941 0.03 1 396 371 64 GLY HA2 H 3.932 0.03 1 397 371 64 GLY HA3 H 3.693 0.03 1 398 371 64 GLY N N 110.400 0.25 1 399 372 65 ASP H H 8.378 0.03 1 400 372 65 ASP HA H 4.483 0.03 1 401 372 65 ASP HB2 H 2.440 0.03 1 402 372 65 ASP HB3 H 2.599 0.03 1 403 372 65 ASP N N 121.810 0.25 1 404 373 66 TYR H H 8.016 0.03 1 405 373 66 TYR HA H 4.323 0.03 1 406 373 66 TYR HB2 H 3.054 0.03 1 407 373 66 TYR HB3 H 3.054 0.03 1 408 373 66 TYR HD1 H 7.061 0.03 3 409 373 66 TYR HD2 H 7.061 0.03 3 410 373 66 TYR HE1 H 6.734 0.03 3 411 373 66 TYR HE2 H 6.734 0.03 3 412 373 66 TYR N N 120.250 0.25 1 413 374 67 GLN H H 8.027 0.03 1 414 374 67 GLN HA H 4.084 0.03 1 415 374 67 GLN HB2 H 1.905 0.03 1 416 374 67 GLN HB3 H 1.905 0.03 1 417 374 67 GLN HG2 H 2.089 0.03 1 418 374 67 GLN HG3 H 2.089 0.03 1 419 374 67 GLN N N 118.770 0.25 1 420 375 68 ASP H H 8.223 0.03 1 421 375 68 ASP HA H 4.555 0.03 1 422 375 68 ASP HB2 H 2.537 0.03 1 423 375 68 ASP HB3 H 2.697 0.03 1 424 375 68 ASP N N 119.630 0.25 1 425 376 69 GLY H H 8.012 0.03 1 426 376 69 GLY HA2 H 3.836 0.03 1 427 376 69 GLY HA3 H 3.725 0.03 1 428 376 69 GLY N N 109.560 0.25 1 429 377 70 TYR H H 7.822 0.03 1 430 377 70 TYR HB2 H 2.871 0.03 1 431 377 70 TYR HB3 H 2.743 0.03 1 432 377 70 TYR HD1 H 6.892 0.03 3 433 377 70 TYR HD2 H 6.892 0.03 3 434 377 70 TYR HE1 H 6.602 0.03 3 435 377 70 TYR HE2 H 6.602 0.03 3 436 377 70 TYR N N 120.090 0.25 1 437 378 71 TYR H H 8.636 0.03 1 438 378 71 TYR HB2 H 2.951 0.03 1 439 378 71 TYR HB3 H 2.560 0.03 1 440 378 71 TYR HD1 H 6.993 0.03 3 441 378 71 TYR HD2 H 6.993 0.03 3 442 378 71 TYR HE1 H 6.681 0.03 3 443 378 71 TYR HE2 H 6.681 0.03 3 444 378 71 TYR N N 125.010 0.25 1 445 379 72 SER H H 8.205 0.03 1 446 379 72 SER HA H 5.209 0.03 1 447 379 72 SER HB2 H 3.503 0.03 1 448 379 72 SER HB3 H 3.342 0.03 1 449 379 72 SER N N 121.900 0.25 1 450 380 73 VAL H H 8.759 0.03 1 451 380 73 VAL HA H 4.978 0.03 1 452 380 73 VAL HB H 1.881 0.03 1 453 380 73 VAL HG1 H 0.764 0.03 1 454 380 73 VAL HG2 H 0.588 0.03 1 455 380 73 VAL N N 116.950 0.25 1 456 381 74 GLN H H 9.046 0.03 1 457 381 74 GLN HA H 4.778 0.03 1 458 381 74 GLN HB2 H 1.849 0.03 1 459 381 74 GLN HB3 H 2.089 0.03 1 460 381 74 GLN HG2 H 2.352 0.03 1 461 381 74 GLN HG3 H 2.161 0.03 1 462 381 74 GLN N N 120.840 0.25 1 463 382 75 THR H H 7.731 0.03 1 464 382 75 THR HG2 H 0.748 0.03 1 465 382 75 THR N N 120.570 0.25 1 466 383 76 THR H H 8.672 0.03 1 467 383 76 THR HG2 H 1.219 0.03 1 468 383 76 THR N N 118.170 0.25 1 469 384 77 GLU H H 9.073 0.03 1 470 384 77 GLU HB2 H 2.033 0.03 1 471 384 77 GLU HB3 H 2.121 0.03 1 472 384 77 GLU HG2 H 2.352 0.03 1 473 384 77 GLU HG3 H 2.352 0.03 1 474 384 77 GLU N N 124.260 0.25 1 475 385 78 GLY H H 9.188 0.03 1 476 385 78 GLY HA2 H 3.757 0.03 1 477 385 78 GLY HA3 H 3.174 0.03 1 478 385 78 GLY N N 110.610 0.25 1 479 386 79 GLU H H 8.721 0.03 1 480 386 79 GLU HA H 3.828 0.03 1 481 386 79 GLU HB2 H 1.770 0.03 1 482 386 79 GLU HB3 H 1.770 0.03 1 483 386 79 GLU HG2 H 2.001 0.03 1 484 386 79 GLU HG3 H 2.105 0.03 1 485 386 79 GLU N N 119.560 0.25 1 486 387 80 GLN H H 7.432 0.03 1 487 387 80 GLN HA H 3.828 0.03 1 488 387 80 GLN HB2 H 1.961 0.03 1 489 387 80 GLN HB3 H 2.121 0.03 1 490 387 80 GLN HG2 H 2.416 0.03 1 491 387 80 GLN HG3 H 2.248 0.03 1 492 387 80 GLN N N 119.700 0.25 1 493 388 81 ILE H H 7.409 0.03 1 494 388 81 ILE HA H 2.512 0.03 1 495 388 81 ILE HB H 0.389 0.03 1 496 388 81 ILE HG2 H -0.553 0.03 1 497 388 81 ILE HD1 H -0.178 0.03 1 498 388 81 ILE N N 121.390 0.25 1 499 389 82 ALA H H 8.072 0.03 1 500 389 82 ALA HA H 3.342 0.03 1 501 389 82 ALA HB H 1.450 0.03 1 502 389 82 ALA N N 119.370 0.25 1 503 390 83 GLN H H 7.512 0.03 1 504 390 83 GLN HA H 3.820 0.03 1 505 390 83 GLN HB2 H 1.921 0.03 1 506 390 83 GLN HB3 H 1.921 0.03 1 507 390 83 GLN HG2 H 2.384 0.03 1 508 390 83 GLN HG3 H 2.256 0.03 1 509 390 83 GLN N N 115.170 0.25 1 510 391 84 LEU H H 7.195 0.03 1 511 391 84 LEU HA H 3.629 0.03 1 512 391 84 LEU HB2 H 1.307 0.03 1 513 391 84 LEU HB3 H 1.482 0.03 1 514 391 84 LEU HG H 1.227 0.03 1 515 391 84 LEU HD1 H 0.708 0.03 1 516 391 84 LEU HD2 H 0.708 0.03 1 517 391 84 LEU N N 121.180 0.25 1 518 392 85 ILE H H 7.664 0.03 1 519 392 85 ILE HA H 3.094 0.03 1 520 392 85 ILE HB H 1.043 0.03 1 521 392 85 ILE HG2 H -0.146 0.03 1 522 392 85 ILE HD1 H 0.461 0.03 1 523 392 85 ILE N N 117.670 0.25 1 524 393 86 ALA H H 8.270 0.03 1 525 393 86 ALA HA H 3.637 0.03 1 526 393 86 ALA HB H 1.442 0.03 1 527 393 86 ALA N N 120.450 0.25 1 528 394 87 GLY H H 7.447 0.03 1 529 394 87 GLY HA2 H 3.773 0.03 1 530 394 87 GLY HA3 H 3.773 0.03 1 531 394 87 GLY N N 103.770 0.25 1 532 395 88 TYR H H 7.524 0.03 1 533 395 88 TYR HA H 4.650 0.03 1 534 395 88 TYR HB2 H 2.951 0.03 1 535 395 88 TYR HB3 H 2.775 0.03 1 536 395 88 TYR HD1 H 6.692 0.03 3 537 395 88 TYR HD2 H 6.692 0.03 3 538 395 88 TYR HE1 H 6.391 0.03 3 539 395 88 TYR HE2 H 6.391 0.03 3 540 395 88 TYR N N 121.450 0.25 1 541 396 89 ILE H H 8.723 0.03 1 542 396 89 ILE HA H 3.661 0.03 1 543 396 89 ILE HB H 1.817 0.03 1 544 396 89 ILE HG12 H 1.458 0.03 1 545 396 89 ILE HG13 H 1.458 0.03 1 546 396 89 ILE HG2 H 0.932 0.03 1 547 396 89 ILE HD1 H 0.596 0.03 1 548 396 89 ILE N N 123.060 0.25 1 549 397 90 ASP H H 7.873 0.03 1 550 397 90 ASP HA H 4.339 0.03 1 551 397 90 ASP HB2 H 2.560 0.03 1 552 397 90 ASP HB3 H 2.775 0.03 1 553 397 90 ASP N N 119.980 0.25 1 554 398 91 ILE H H 7.147 0.03 1 555 398 91 ILE HA H 3.645 0.03 1 556 398 91 ILE HB H 1.937 0.03 1 557 398 91 ILE HG12 H 1.786 0.03 1 558 398 91 ILE HG13 H 1.123 0.03 1 559 398 91 ILE HG2 H 0.860 0.03 1 560 398 91 ILE HD1 H 0.860 0.03 1 561 398 91 ILE N N 116.470 0.25 1 562 399 92 ILE H H 7.449 0.03 1 563 399 92 ILE HA H 3.637 0.03 1 564 399 92 ILE HB H 1.953 0.03 1 565 399 92 ILE HG12 H 1.107 0.03 1 566 399 92 ILE HG13 H 1.746 0.03 1 567 399 92 ILE HG2 H 0.828 0.03 1 568 399 92 ILE HD1 H 0.828 0.03 1 569 399 92 ILE N N 121.160 0.25 1 570 400 93 LEU H H 8.378 0.03 1 571 400 93 LEU HA H 4.050 0.03 1 572 400 93 LEU HB2 H 1.801 0.03 1 573 400 93 LEU HB3 H 1.801 0.03 1 574 400 93 LEU HG H 1.450 0.03 1 575 400 93 LEU HD1 H 0.828 0.03 1 576 400 93 LEU HD2 H 0.828 0.03 1 577 400 93 LEU N N 119.680 0.25 1 stop_ save_