data_16159 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Beta1A Integrin Cytoplasmic Tail 1H and 15N Chemical Shift Assignments ; _BMRB_accession_number 16159 _BMRB_flat_file_name bmr16159.str _Entry_type original _Submission_date 2009-02-03 _Accession_date 2009-02-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Full 1H and 15N chemical shift assignments at pH 5.0 and backbone 1H and 15N chemical shift assignments at pH 6.1 for the cytoplasmic tail of the beta1A integrin.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Anthis Nicholas J. . 2 Wegener Kate L. . 3 Campbell Iain D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 313 "15N chemical shifts" 100 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-01-21 update BMRB 'complete entry citation' 2009-10-07 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15552 'Assigments of cytoplasmic tail of the human beta3 integrin' 16158 Beta-1A 16162 Beta-1A-His6 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The structure of an integrin/talin complex reveals the basis of inside-out signal transduction.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19798053 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Anthis Nicholas J. . 2 Wegener Kate L. . 3 Ye Feng . . 4 Kim Chungho . . 5 Goult Benjamin T. . 6 Lowe Edward D. . 7 Vakonakis Ioannis . . 8 Bate Neil . . 9 Critchley David R. . 10 Ginsberg Mark H. . 11 Campbell Iain D. . stop_ _Journal_abbreviation 'EMBO J.' _Journal_name_full 'The EMBO journal' _Journal_volume 28 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3623 _Page_last 3632 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'beta1A integrin tail' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'beta1A integrin tail' $beta1A_integrin stop_ _System_molecular_weight 5710 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'beta1A integrin tail' save_ ######################## # Monomeric polymers # ######################## save_beta1A_integrin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common beta1A_integrin _Molecular_mass 5710 _Mol_thiol_state 'not present' loop_ _Biological_function 'cell adhesion' 'cell migration' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 49 _Mol_residue_sequence ; GPKLLMIIHDRREFAKFEKE KMNAKWDTGENPIYKSAVTT VVNPKYEGK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 750 GLY 2 751 PRO 3 752 LYS 4 753 LEU 5 754 LEU 6 755 MET 7 756 ILE 8 757 ILE 9 758 HIS 10 759 ASP 11 760 ARG 12 761 ARG 13 762 GLU 14 763 PHE 15 764 ALA 16 765 LYS 17 766 PHE 18 767 GLU 19 768 LYS 20 769 GLU 21 770 LYS 22 771 MET 23 772 ASN 24 773 ALA 25 774 LYS 26 775 TRP 27 776 ASP 28 777 THR 29 778 GLY 30 779 GLU 31 780 ASN 32 781 PRO 33 782 ILE 34 783 TYR 35 784 LYS 36 785 SER 37 786 ALA 38 787 VAL 39 788 THR 40 789 THR 41 790 VAL 42 791 VAL 43 792 ASN 44 793 PRO 45 794 LYS 46 795 TYR 47 796 GLU 48 797 GLY 49 798 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 DBJ BAC39546 "unnamed protein product [Mus musculus]" 89.80 92 100.00 100.00 6.59e-23 DBJ BAC40532 "unnamed protein product [Mus musculus]" 89.80 798 100.00 100.00 1.52e-22 DBJ BAE39731 "unnamed protein product [Mus musculus]" 89.80 798 100.00 100.00 1.52e-22 DBJ BAF84386 "unnamed protein product [Homo sapiens]" 89.80 798 100.00 100.00 1.72e-22 DBJ BAG72587 "integrin, beta 1 [synthetic construct]" 89.80 798 100.00 100.00 1.76e-22 EMBL CAA30790 "unnamed protein product [Homo sapiens]" 89.80 798 100.00 100.00 1.81e-22 EMBL CAA33272 "Fn receptor beta prechain [Mus musculus]" 89.80 798 100.00 100.00 1.52e-22 EMBL CAA68738 "pre-integrin (AA -20 to 778) [Mus musculus]" 89.80 798 100.00 100.00 1.52e-22 EMBL CAD97649 "hypothetical protein [Homo sapiens]" 89.80 823 100.00 100.00 3.27e-22 EMBL CAF97757 "unnamed protein product, partial [Tetraodon nigroviridis]" 89.80 871 100.00 100.00 1.68e-22 GB AAA48926 "integrin precursor [Gallus gallus]" 89.80 803 100.00 100.00 1.53e-22 GB AAA49889 "integrin beta-1 subunit precursor [Xenopus laevis]" 89.80 798 100.00 100.00 1.52e-22 GB AAA49890 "integrin beta-1* subunit precursor [Xenopus laevis]" 89.80 798 97.73 97.73 7.30e-22 GB AAA59182 "integrin beta-1 subunit (cytoplasmic domain), partial [Homo sapiens]" 53.06 38 100.00 100.00 2.17e-09 GB AAA74402 "integrin beta-1 subunit, partial [Homo sapiens]" 53.06 26 100.00 100.00 7.78e-09 PIR PH0104 "integrin beta 1 chain 3'v - human (fragment)" 53.06 38 100.00 100.00 2.17e-09 REF NP_001030143 "integrin beta-1 precursor [Danio rerio]" 89.80 798 97.73 100.00 3.80e-22 REF NP_001030159 "integrin, beta 1b precursor [Danio rerio]" 89.80 795 97.73 97.73 7.26e-22 REF NP_001034343 "integrin beta-1 precursor [Gallus gallus]" 89.80 803 100.00 100.00 1.53e-22 REF NP_001041625 "integrin beta-1 precursor [Felis catus]" 89.80 798 97.73 97.73 1.43e-21 REF NP_001081286 "integrin beta-1-A precursor [Xenopus laevis]" 89.80 798 100.00 100.00 1.52e-22 SP A5Z1X6 "RecName: Full=Integrin beta-1; AltName: Full=Fibronectin receptor subunit beta; AltName: Full=VLA-4 subunit beta; AltName: CD_a" 89.80 798 97.73 100.00 3.41e-22 SP B0FYY4 "RecName: Full=Integrin beta-1; AltName: Full=Fibronectin receptor subunit beta; AltName: Full=Integrin subunit beta-1; AltName:" 95.92 798 100.00 100.00 2.39e-24 SP P05556 "RecName: Full=Integrin beta-1; AltName: Full=Fibronectin receptor subunit beta; AltName: Full=Glycoprotein IIa; Short=GPIIA; Al" 89.80 798 100.00 100.00 1.76e-22 SP P07228 "RecName: Full=Integrin beta-1; AltName: Full=CSAT antigen; AltName: Full=JG22 antigen; AltName: Full=RGD-receptor; Flags: Precu" 89.80 803 100.00 100.00 1.53e-22 SP P09055 "RecName: Full=Integrin beta-1; AltName: Full=Fibronectin receptor subunit beta; AltName: Full=VLA-4 subunit beta; AltName: CD_a" 89.80 798 100.00 100.00 1.52e-22 TPG DAA23553 "TPA: integrin beta-1 precursor [Bos taurus]" 89.80 798 100.00 100.00 1.52e-22 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $beta1A_integrin Human 9606 Eukaryota Metazoa Homo sapiens ITGB1 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 $beta1A_integrin 'recombinant technology' . Escherichia coli BL21 pET16b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_pH_6.1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 5 % [U-2H] 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 1 mM 'natural abundance' DSS 0.1 mM 'natural abundance' $beta1A_integrin 0.05 mM [U-15N] stop_ save_ save_pH_5.0 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 5 % [U-2H] 'sodium acetate' 20 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' DSS 0.1 mM 'natural abundance' $beta1A_integrin 1 mM [U-15N] 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_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Omega_Spectrometer_Operating_Software _Saveframe_category software _Name 'Omega Spectrometer Operating Software' _Version 'Beta 6.0.3b2' loop_ _Vendor _Address _Electronic_address GE . . stop_ loop_ _Task collection stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address 'Boucher and Stevens' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer GE _Model OMEGA _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 $pH_6.1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $pH_5.0 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $pH_5.0 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $pH_5.0 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 . pH pressure 1.0 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 . pH pressure 1.0 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $pH_5.0 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'beta1A integrin tail' _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 1 751 2 PRO HA H 4.479 0.000 1 2 752 3 LYS H H 8.470 0.002 1 3 752 3 LYS HA H 4.290 0.006 1 4 752 3 LYS HB2 H 1.795 0.002 1 5 752 3 LYS HB3 H 1.795 0.002 1 6 752 3 LYS HG2 H 1.463 0.000 1 7 752 3 LYS HG3 H 1.463 0.000 1 8 752 3 LYS N N 122.253 0.049 1 9 753 4 LEU H H 8.253 0.002 1 10 753 4 LEU HA H 4.357 0.000 1 11 753 4 LEU HB2 H 1.597 0.000 1 12 753 4 LEU HB3 H 1.597 0.000 1 13 753 4 LEU N N 124.361 0.088 1 14 754 5 LEU H H 8.226 0.001 1 15 754 5 LEU HA H 4.358 0.001 1 16 754 5 LEU HB2 H 1.590 0.001 1 17 754 5 LEU HB3 H 1.590 0.001 1 18 754 5 LEU HD1 H 0.893 0.000 1 19 754 5 LEU HD2 H 0.893 0.000 1 20 754 5 LEU N N 123.650 0.014 1 21 755 6 MET H H 8.252 0.001 1 22 755 6 MET HA H 4.492 0.004 1 23 755 6 MET HB2 H 1.996 0.009 1 24 755 6 MET HB3 H 1.996 0.009 1 25 755 6 MET HG2 H 2.515 0.000 1 26 755 6 MET HG3 H 2.515 0.000 1 27 755 6 MET N N 121.874 0.001 1 28 756 7 ILE H H 8.124 0.003 1 29 756 7 ILE HA H 4.116 0.000 1 30 756 7 ILE HB H 1.788 0.000 1 31 756 7 ILE HG12 H 1.134 0.000 2 32 756 7 ILE HG13 H 1.423 0.000 2 33 756 7 ILE HG2 H 0.749 0.007 1 34 756 7 ILE N N 123.096 0.005 1 35 757 8 ILE H H 8.190 0.003 1 36 757 8 ILE HA H 4.119 0.003 1 37 757 8 ILE HB H 1.790 0.003 1 38 757 8 ILE HG12 H 1.132 0.000 2 39 757 8 ILE HG13 H 1.402 0.003 2 40 757 8 ILE HG2 H 0.827 0.005 1 41 757 8 ILE N N 125.448 0.022 1 42 758 9 HIS H H 8.627 0.002 1 43 758 9 HIS HA H 4.754 0.000 1 44 758 9 HIS HB2 H 3.145 0.001 2 45 758 9 HIS HB3 H 3.210 0.000 2 46 758 9 HIS N N 123.194 0.044 1 47 759 10 ASP H H 8.349 0.005 1 48 759 10 ASP HA H 4.609 0.004 1 49 759 10 ASP HB2 H 2.704 0.007 1 50 759 10 ASP HB3 H 2.704 0.007 1 51 759 10 ASP N N 121.824 0.011 1 52 760 11 ARG H H 8.475 0.001 1 53 760 11 ARG HA H 4.222 0.000 1 54 760 11 ARG HB2 H 1.924 0.000 1 55 760 11 ARG HB3 H 1.924 0.000 1 56 760 11 ARG HD2 H 3.188 0.004 1 57 760 11 ARG HD3 H 3.188 0.004 1 58 760 11 ARG HE H 7.242 0.002 1 59 760 11 ARG HG2 H 1.642 0.001 1 60 760 11 ARG HG3 H 1.642 0.001 1 61 760 11 ARG N N 122.310 0.056 1 62 760 11 ARG NE N 109.878 0.044 1 63 761 12 ARG H H 8.445 0.005 1 64 761 12 ARG HA H 4.234 0.000 1 65 761 12 ARG HB2 H 1.808 0.010 1 66 761 12 ARG HB3 H 1.808 0.010 1 67 761 12 ARG HD2 H 3.185 0.008 1 68 761 12 ARG HD3 H 3.185 0.008 1 69 761 12 ARG HE H 7.413 0.003 1 70 761 12 ARG HG2 H 1.617 0.005 1 71 761 12 ARG HG3 H 1.617 0.005 1 72 761 12 ARG N N 121.597 0.012 1 73 761 12 ARG NE N 110.069 0.044 1 74 762 13 GLU H H 8.323 0.005 1 75 762 13 GLU HA H 4.208 0.001 1 76 762 13 GLU HB2 H 1.931 0.009 1 77 762 13 GLU HB3 H 1.931 0.009 1 78 762 13 GLU HG2 H 2.137 0.000 2 79 762 13 GLU HG3 H 2.204 0.003 2 80 762 13 GLU N N 120.703 0.053 1 81 763 14 PHE H H 8.088 0.002 1 82 763 14 PHE HA H 4.553 0.003 1 83 763 14 PHE HB2 H 3.019 0.001 2 84 763 14 PHE HB3 H 3.189 0.000 2 85 763 14 PHE N N 120.255 0.047 1 86 764 15 ALA H H 8.113 0.005 1 87 764 15 ALA HA H 4.231 0.000 1 88 764 15 ALA HB H 1.349 0.004 1 89 764 15 ALA N N 124.184 0.024 1 90 765 16 LYS H H 8.004 0.002 1 91 765 16 LYS HA H 4.158 0.007 1 92 765 16 LYS HB2 H 1.697 0.001 1 93 765 16 LYS HB3 H 1.697 0.001 1 94 765 16 LYS HG2 H 1.292 0.000 1 95 765 16 LYS HG3 H 1.292 0.000 1 96 765 16 LYS N N 119.631 0.057 1 97 766 17 PHE H H 8.052 0.005 1 98 766 17 PHE HA H 4.592 0.003 1 99 766 17 PHE HB2 H 3.029 0.001 2 100 766 17 PHE HB3 H 3.173 0.005 2 101 766 17 PHE N N 120.046 0.015 1 102 767 18 GLU H H 8.175 0.001 1 103 767 18 GLU HA H 4.209 0.000 1 104 767 18 GLU HB2 H 1.940 0.000 2 105 767 18 GLU HB3 H 2.030 0.000 2 106 767 18 GLU HG2 H 2.221 0.000 1 107 767 18 GLU HG3 H 2.221 0.000 1 108 767 18 GLU N N 121.797 0.025 1 109 768 19 LYS H H 8.171 0.002 1 110 768 19 LYS HA H 4.183 0.000 1 111 768 19 LYS HB2 H 1.822 0.004 1 112 768 19 LYS HB3 H 1.822 0.004 1 113 768 19 LYS HD2 H 1.704 0.000 1 114 768 19 LYS HD3 H 1.704 0.000 1 115 768 19 LYS HG2 H 1.445 0.001 1 116 768 19 LYS HG3 H 1.445 0.001 1 117 768 19 LYS N N 121.451 0.040 1 118 769 20 GLU H H 8.336 0.002 1 119 769 20 GLU HA H 4.178 0.000 1 120 769 20 GLU HB2 H 2.015 0.011 1 121 769 20 GLU HB3 H 2.015 0.011 1 122 769 20 GLU HG2 H 2.320 0.002 1 123 769 20 GLU HG3 H 2.320 0.002 1 124 769 20 GLU N N 120.342 0.028 1 125 770 21 LYS H H 8.103 0.004 1 126 770 21 LYS HA H 4.225 0.005 1 127 770 21 LYS HB2 H 1.761 0.005 2 128 770 21 LYS HB3 H 1.803 0.005 2 129 770 21 LYS HD2 H 1.654 0.000 1 130 770 21 LYS HD3 H 1.654 0.000 1 131 770 21 LYS HE2 H 2.980 0.000 1 132 770 21 LYS HE3 H 2.980 0.000 1 133 770 21 LYS HG2 H 1.392 0.001 1 134 770 21 LYS HG3 H 1.392 0.001 1 135 770 21 LYS N N 120.927 0.016 1 136 771 22 MET H H 8.154 0.006 1 137 771 22 MET HA H 4.398 0.005 1 138 771 22 MET HB2 H 2.044 0.010 1 139 771 22 MET HB3 H 2.040 0.010 1 140 771 22 MET HG2 H 2.553 0.000 1 141 771 22 MET HG3 H 2.553 0.000 1 142 771 22 MET N N 120.206 0.020 1 143 772 23 ASN H H 8.286 0.004 1 144 772 23 ASN HA H 4.650 0.008 1 145 772 23 ASN HB2 H 2.751 0.018 1 146 772 23 ASN HB3 H 2.751 0.018 1 147 772 23 ASN HD21 H 6.873 0.001 1 148 772 23 ASN HD22 H 7.560 0.004 1 149 772 23 ASN N N 119.446 0.040 1 150 772 23 ASN ND2 N 112.699 0.030 1 151 773 24 ALA H H 8.099 0.001 1 152 773 24 ALA HA H 4.213 0.000 1 153 773 24 ALA HB H 1.291 0.000 1 154 773 24 ALA N N 124.122 0.050 1 155 774 25 LYS H H 8.097 0.005 1 156 774 25 LYS HA H 4.227 0.002 1 157 774 25 LYS HB2 H 1.655 0.002 1 158 774 25 LYS HB3 H 1.655 0.002 1 159 774 25 LYS HG2 H 1.280 0.008 1 160 774 25 LYS HG3 H 1.277 0.007 1 161 774 25 LYS N N 119.550 0.081 1 162 775 26 TRP H H 7.960 0.002 1 163 775 26 TRP HA H 4.744 0.007 1 164 775 26 TRP HB2 H 3.222 0.010 2 165 775 26 TRP HB3 H 3.323 0.004 2 166 775 26 TRP HD1 H 7.228 0.002 1 167 775 26 TRP HE1 H 10.113 0.001 1 168 775 26 TRP HZ2 H 7.468 0.001 1 169 775 26 TRP N N 121.298 0.002 1 170 775 26 TRP NE1 N 129.304 0.036 1 171 776 27 ASP H H 8.212 0.004 1 172 776 27 ASP HA H 4.648 0.009 1 173 776 27 ASP HB2 H 2.546 0.001 2 174 776 27 ASP HB3 H 2.598 0.007 2 175 776 27 ASP N N 121.951 0.017 1 176 777 28 THR H H 8.066 0.005 1 177 777 28 THR HA H 4.289 0.002 1 178 777 28 THR HB H 4.291 0.000 1 179 777 28 THR HG2 H 1.186 0.009 1 180 777 28 THR N N 113.696 0.034 1 181 778 29 GLY H H 8.414 0.002 1 182 778 29 GLY HA2 H 3.945 0.002 2 183 778 29 GLY HA3 H 3.990 0.001 2 184 778 29 GLY N N 110.755 0.012 1 185 779 30 GLU H H 8.129 0.005 1 186 779 30 GLU HA H 4.292 0.006 1 187 779 30 GLU HB2 H 1.898 0.003 2 188 779 30 GLU HB3 H 2.035 0.001 2 189 779 30 GLU HG2 H 2.246 0.009 1 190 779 30 GLU HG3 H 2.246 0.009 1 191 779 30 GLU N N 119.850 0.064 1 192 780 31 ASN H H 8.425 0.004 1 193 780 31 ASN HA H 4.854 0.000 1 194 780 31 ASN HB2 H 2.664 0.001 2 195 780 31 ASN HB3 H 2.807 0.003 2 196 780 31 ASN HD21 H 6.893 0.001 1 197 780 31 ASN HD22 H 7.615 0.001 1 198 780 31 ASN N N 120.946 0.021 1 199 780 31 ASN ND2 N 113.115 0.022 1 200 781 32 PRO HA H 4.353 0.000 1 201 781 32 PRO HB2 H 2.189 0.010 1 202 781 32 PRO HB3 H 2.189 0.010 1 203 781 32 PRO HD2 H 3.684 0.016 1 204 781 32 PRO HD3 H 3.684 0.016 1 205 781 32 PRO HG2 H 1.946 0.000 1 206 781 32 PRO HG3 H 1.946 0.000 1 207 782 33 ILE H H 7.984 0.002 1 208 782 33 ILE HA H 4.037 0.001 1 209 782 33 ILE HB H 1.735 0.004 1 210 782 33 ILE HG12 H 1.088 0.000 2 211 782 33 ILE HG13 H 1.301 0.003 2 212 782 33 ILE HG2 H 0.741 0.012 1 213 782 33 ILE N N 119.364 0.018 1 214 783 34 TYR H H 7.920 0.002 1 215 783 34 TYR HA H 4.607 0.001 1 216 783 34 TYR HB2 H 2.901 0.006 2 217 783 34 TYR HB3 H 3.079 0.007 2 218 783 34 TYR HD1 H 7.101 0.002 3 219 783 34 TYR HD2 H 7.101 0.002 3 220 783 34 TYR N N 122.792 0.020 1 221 784 35 LYS H H 8.015 0.012 1 222 784 35 LYS HA H 4.295 0.003 1 223 784 35 LYS HB2 H 1.696 0.003 2 224 784 35 LYS HB3 H 1.801 0.001 2 225 784 35 LYS HG2 H 1.364 0.007 1 226 784 35 LYS HG3 H 1.364 0.007 1 227 784 35 LYS N N 122.986 0.021 1 228 785 36 SER H H 8.176 0.004 1 229 785 36 SER HA H 4.399 0.000 1 230 785 36 SER HB2 H 3.870 0.002 1 231 785 36 SER HB3 H 3.870 0.002 1 232 785 36 SER N N 116.935 0.015 1 233 786 37 ALA H H 8.328 0.001 1 234 786 37 ALA HA H 4.386 0.005 1 235 786 37 ALA HB H 1.401 0.003 1 236 786 37 ALA N N 126.179 0.015 1 237 787 38 VAL H H 8.094 0.002 1 238 787 38 VAL HA H 4.201 0.000 1 239 787 38 VAL HB H 2.096 0.003 1 240 787 38 VAL HG1 H 0.939 0.005 1 241 787 38 VAL HG2 H 0.939 0.005 1 242 787 38 VAL N N 119.075 0.013 1 243 788 39 THR H H 8.226 0.004 1 244 788 39 THR HA H 4.440 0.006 1 245 788 39 THR HB H 4.192 0.000 1 246 788 39 THR HG2 H 1.199 0.000 1 247 788 39 THR N N 118.126 0.012 1 248 789 40 THR H H 8.140 0.003 1 249 789 40 THR HA H 4.362 0.002 1 250 789 40 THR HB H 4.184 0.000 1 251 789 40 THR HG2 H 1.187 0.004 1 252 789 40 THR N N 117.546 0.037 1 253 790 41 VAL H H 8.174 0.001 1 254 790 41 VAL HA H 4.140 0.003 1 255 790 41 VAL HB H 2.032 0.000 1 256 790 41 VAL HG1 H 0.920 0.000 1 257 790 41 VAL HG2 H 0.920 0.000 1 258 790 41 VAL N N 123.542 0.003 1 259 791 42 VAL H H 8.250 0.002 1 260 791 42 VAL HA H 4.092 0.010 1 261 791 42 VAL HB H 2.015 0.006 1 262 791 42 VAL HG1 H 0.906 0.006 1 263 791 42 VAL HG2 H 0.906 0.006 1 264 791 42 VAL N N 124.763 0.167 1 265 792 43 ASN H H 8.533 0.002 1 266 792 43 ASN HA H 4.974 0.001 1 267 792 43 ASN HB2 H 2.690 0.002 2 268 792 43 ASN HB3 H 2.852 0.006 2 269 792 43 ASN HD21 H 6.919 0.001 1 270 792 43 ASN HD22 H 7.627 0.003 1 271 792 43 ASN N N 123.929 0.037 1 272 792 43 ASN ND2 N 112.814 0.023 1 273 793 44 PRO HB2 H 2.245 0.000 1 274 793 44 PRO HB3 H 2.245 0.000 1 275 793 44 PRO HD2 H 3.767 0.018 1 276 793 44 PRO HD3 H 3.767 0.018 1 277 793 44 PRO HG2 H 1.831 0.000 1 278 793 44 PRO HG3 H 1.831 0.000 1 279 794 45 LYS H H 8.180 0.002 1 280 794 45 LYS HA H 4.231 0.003 1 281 794 45 LYS HB2 H 1.686 0.003 1 282 794 45 LYS HB3 H 1.686 0.003 1 283 794 45 LYS HG2 H 1.306 0.000 2 284 794 45 LYS HG3 H 1.368 0.000 2 285 794 45 LYS N N 120.395 0.025 1 286 795 46 TYR H H 8.132 0.002 1 287 795 46 TYR HA H 4.592 0.000 1 288 795 46 TYR HB2 H 2.967 0.003 2 289 795 46 TYR HB3 H 3.053 0.000 2 290 795 46 TYR HD1 H 7.143 0.000 3 291 795 46 TYR HD2 H 7.143 0.000 3 292 795 46 TYR N N 121.554 0.054 1 293 796 47 GLU H H 8.273 0.004 1 294 796 47 GLU HA H 4.310 0.002 1 295 796 47 GLU HB2 H 1.878 0.000 1 296 796 47 GLU HB3 H 1.878 0.000 1 297 796 47 GLU HG2 H 2.068 0.000 2 298 796 47 GLU HG3 H 2.228 0.000 2 299 796 47 GLU N N 123.503 0.034 1 300 797 48 GLY H H 7.765 0.007 1 301 797 48 GLY HA2 H 3.887 0.001 1 302 797 48 GLY HA3 H 3.887 0.001 1 303 797 48 GLY N N 109.569 0.014 1 304 798 49 LYS H H 7.764 0.005 1 305 798 49 LYS HA H 4.223 0.000 1 306 798 49 LYS HB2 H 1.718 0.000 1 307 798 49 LYS HB3 H 1.718 0.000 1 308 798 49 LYS HD2 H 1.872 0.000 1 309 798 49 LYS HD3 H 1.872 0.000 1 310 798 49 LYS HG2 H 1.396 0.000 1 311 798 49 LYS HG3 H 1.396 0.000 1 312 798 49 LYS N N 125.440 0.018 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $pH_6.1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'beta1A integrin tail' _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 1 752 3 LYS H H 8.488 0.000 1 2 752 3 LYS N N 122.328 0.000 1 3 753 4 LEU H H 8.269 0.000 1 4 753 4 LEU N N 124.262 0.000 1 5 754 5 LEU H H 8.222 0.000 1 6 754 5 LEU N N 123.560 0.000 1 7 755 6 MET H H 8.263 0.000 1 8 755 6 MET N N 121.864 0.000 1 9 756 7 ILE H H 8.126 0.000 1 10 756 7 ILE N N 123.117 0.000 1 11 757 8 ILE H H 8.193 0.000 1 12 757 8 ILE N N 125.403 0.000 1 13 758 9 HIS H H 8.528 0.000 1 14 758 9 HIS N N 123.710 0.000 1 15 759 10 ASP H H 8.363 0.000 1 16 759 10 ASP N N 121.944 0.000 1 17 760 11 ARG H H 8.466 0.000 1 18 760 11 ARG N N 122.427 0.000 1 19 761 12 ARG H H 8.420 0.000 1 20 761 12 ARG N N 121.742 0.000 1 21 762 13 GLU H H 8.350 0.000 1 22 762 13 GLU N N 120.893 0.000 1 23 763 14 PHE H H 8.103 0.000 1 24 763 14 PHE N N 120.307 0.000 1 25 764 15 ALA H H 8.135 0.000 1 26 764 15 ALA N N 124.283 0.000 1 27 765 16 LYS H H 8.023 0.000 1 28 765 16 LYS N N 119.744 0.000 1 29 766 17 PHE H H 8.068 0.000 1 30 766 17 PHE N N 120.170 0.000 1 31 767 18 GLU H H 8.196 0.000 1 32 767 18 GLU N N 122.025 0.000 1 33 768 19 LYS H H 8.179 0.000 1 34 768 19 LYS N N 121.619 0.000 1 35 769 20 GLU H H 8.364 0.000 1 36 769 20 GLU N N 120.498 0.000 1 37 770 21 LYS H H 8.104 0.000 1 38 770 21 LYS N N 121.047 0.000 1 39 771 22 MET H H 8.165 0.000 1 40 771 22 MET N N 120.282 0.000 1 41 772 23 ASN H H 8.285 0.000 1 42 772 23 ASN HD21 H 7.584 0.000 2 43 772 23 ASN HD22 H 6.892 0.000 2 44 772 23 ASN N N 119.448 0.000 1 45 772 23 ASN ND2 N 112.908 0.002 1 46 773 24 ALA H H 8.109 0.000 1 47 773 24 ALA N N 124.231 0.000 1 48 774 25 LYS H H 8.101 0.000 1 49 774 25 LYS N N 119.674 0.000 1 50 775 26 TRP H H 7.957 0.000 1 51 775 26 TRP HE1 H 10.128 0.000 1 52 775 26 TRP N N 121.321 0.000 1 53 775 26 TRP NE1 N 129.475 0.000 1 54 776 27 ASP H H 8.241 0.000 1 55 776 27 ASP N N 122.187 0.000 1 56 777 28 THR H H 8.084 0.000 1 57 777 28 THR N N 113.729 0.000 1 58 778 29 GLY H H 8.431 0.000 1 59 778 29 GLY N N 110.931 0.000 1 60 779 30 GLU H H 8.155 0.000 1 61 779 30 GLU N N 120.044 0.000 1 62 780 31 ASN H H 8.444 0.000 1 63 780 31 ASN HD21 H 7.627 0.000 2 64 780 31 ASN HD22 H 6.908 0.000 2 65 780 31 ASN N N 120.911 0.000 1 66 780 31 ASN ND2 N 113.334 0.000 1 67 782 33 ILE H H 7.999 0.000 1 68 782 33 ILE N N 119.512 0.000 1 69 783 34 TYR H H 7.947 0.000 1 70 783 34 TYR N N 123.048 0.000 1 71 784 35 LYS H H 8.030 0.000 1 72 784 35 LYS N N 123.197 0.000 1 73 785 36 SER H H 8.200 0.000 1 74 785 36 SER N N 117.105 0.000 1 75 786 37 ALA H H 8.344 0.000 1 76 786 37 ALA N N 126.250 0.000 1 77 787 38 VAL H H 8.112 0.000 1 78 787 38 VAL N N 119.191 0.000 1 79 788 39 THR H H 8.247 0.000 1 80 788 39 THR N N 118.283 0.000 1 81 789 40 THR H H 8.161 0.000 1 82 789 40 THR N N 117.749 0.000 1 83 790 41 VAL H H 8.196 0.000 1 84 790 41 VAL N N 123.745 0.000 1 85 791 42 VAL H H 8.274 0.000 1 86 791 42 VAL N N 125.083 0.000 1 87 792 43 ASN H H 8.561 0.000 1 88 792 43 ASN HD21 H 7.652 0.000 2 89 792 43 ASN HD22 H 6.939 0.000 2 90 792 43 ASN N N 124.097 0.000 1 91 792 43 ASN ND2 N 113.042 0.002 1 92 794 45 LYS H H 8.203 0.000 1 93 794 45 LYS N N 120.530 0.000 1 94 795 46 TYR H H 8.137 0.000 1 95 795 46 TYR N N 121.553 0.000 1 96 796 47 GLU H H 8.293 0.000 1 97 796 47 GLU N N 123.731 0.000 1 98 797 48 GLY H H 7.796 0.000 1 99 797 48 GLY N N 109.819 0.000 1 100 798 49 LYS H H 7.781 0.000 1 101 798 49 LYS N N 125.610 0.000 1 stop_ save_