data_26845 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Field dependent R1 and R2 relaxation in B3 domain of protein G (GB3) ; _BMRB_accession_number 26845 _BMRB_flat_file_name bmr26845.str _Entry_type original _Submission_date 2016-07-05 _Accession_date 2016-07-05 _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 Hernandez Griselda . . 2 LeMaster David M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count T1_relaxation 4 T2_relaxation 4 stop_ loop_ _Data_type _Data_type_count "T1 relaxation values" 204 "T2 relaxation values" 204 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-12-29 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 15283 'B3 Immunoglobulin-Binding Domain of Streptococcal Protein G (GB3) by MAS-NMR' 18531 'Three-State Ensemble obtained from eNOEs of the Third Immunoglobulin Binding Domain of Protein G (GB3)' 2575 'Sequence-Specific 1H NMR Assignments and Secondary Structure of the Streptococcal Protein G B2-Domain' 25807 'Sidechain chi1 distribution in B3 domain of protein G' 5569 '15N relaxation rates for backbone of GB1' 5839 'Differentiating Between Conformational Exchange and Anisotropic Diffusion in the B3 Domain of Protein G' stop_ _Original_release_date 2016-07-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Quantifying protein dynamics in the ps-ns time regime by NMR relaxation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27734179 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hernandez Griselda . . 2 LeMaster David M. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 66 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 163 _Page_last 174 _Year 2016 _Details . loop_ _Keyword GB3 'chemical shift anisotropy' 'exchange linebroadening' 'field strength dependence' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GB3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GB3 $GB3 stop_ _System_molecular_weight 6207.8 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 GB3 stop_ loop_ _Biological_function 'immunoglobulin binding domain' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GB3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GB3 _Molecular_mass 6207.8 _Mol_thiol_state 'not present' loop_ _Biological_function 'immunoglobin binding domain' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 56 _Mol_residue_sequence ; MQYKLVINGKTLKGETTTKA VDAETAEKAFKQYANDNGVD GVWTYDDATKTFTVTE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLN 3 TYR 4 LYS 5 LEU 6 VAL 7 ILE 8 ASN 9 GLY 10 LYS 11 THR 12 LEU 13 LYS 14 GLY 15 GLU 16 THR 17 THR 18 THR 19 LYS 20 ALA 21 VAL 22 ASP 23 ALA 24 GLU 25 THR 26 ALA 27 GLU 28 LYS 29 ALA 30 PHE 31 LYS 32 GLN 33 TYR 34 ALA 35 ASN 36 ASP 37 ASN 38 GLY 39 VAL 40 ASP 41 GLY 42 VAL 43 TRP 44 THR 45 TYR 46 ASP 47 ASP 48 ALA 49 THR 50 LYS 51 THR 52 PHE 53 THR 54 VAL 55 THR 56 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GB AAA26921 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $GB3 Streptococcus 1301 Bacteria . Streptococcus . 'group G' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $GB3 'recombinant technology' . Escherichia coli K12 BL21Star(DE3) pET11a 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 $GB3 2 mM '[U-99% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Felix NMR' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_T1_relaxation_500_1 _Saveframe_category NMR_applied_experiment _Experiment_name T1_relaxation_500 _Sample_label $sample_1 save_ save_T1_relaxation_600_2 _Saveframe_category NMR_applied_experiment _Experiment_name T1_relaxation_600 _Sample_label $sample_1 save_ save_T1_relaxation_800_3 _Saveframe_category NMR_applied_experiment _Experiment_name T1_relaxation_800 _Sample_label $sample_1 save_ save_T1_relaxation_900_4 _Saveframe_category NMR_applied_experiment _Experiment_name T1_relaxation_900 _Sample_label $sample_1 save_ save_T2_relaxation_500_5 _Saveframe_category NMR_applied_experiment _Experiment_name T2_relaxation_500 _Sample_label $sample_1 save_ save_T2_relaxation_600_6 _Saveframe_category NMR_applied_experiment _Experiment_name T2_relaxation_600 _Sample_label $sample_1 save_ save_T2_relaxation_800_7 _Saveframe_category NMR_applied_experiment _Experiment_name T2_relaxation_800 _Sample_label $sample_1 save_ save_T2_relaxation_900_8 _Saveframe_category NMR_applied_experiment _Experiment_name T2_relaxation_900 _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' 30 . mM pH 6.3 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_GB3_15N_T1_relaxation_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $Felix stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name GB3 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLN N 2.503 0.105 2 3 TYR N 2.632 0.024 3 4 LYS N 2.770 0.024 4 5 LEU N 2.797 0.020 5 6 VAL N 2.747 0.017 6 7 ILE N 2.732 0.018 7 8 ASN N 2.725 0.016 8 9 GLY N 2.667 0.017 9 10 LYS N 2.538 0.016 10 11 THR N 2.418 0.023 11 12 LEU N 2.088 0.013 12 13 LYS N 2.481 0.016 13 14 GLY N 2.345 0.015 14 16 THR N 2.663 0.017 15 17 THR N 2.554 0.026 16 18 THR N 2.706 0.017 17 19 LYS N 2.475 0.032 18 20 ALA N 2.581 0.023 19 21 VAL N 2.663 0.035 20 22 ASP N 2.674 0.017 21 23 ALA N 2.729 0.018 22 24 GLU N 2.591 0.019 23 26 ALA N 2.829 0.020 24 28 LYS N 2.755 0.017 25 29 ALA N 2.786 0.017 26 30 PHE N 2.789 0.017 27 31 LYS N 2.817 0.018 28 32 GLN N 2.740 0.029 29 33 TYR N 2.778 0.017 30 34 ALA N 2.837 0.018 31 36 ASP N 2.751 0.017 32 37 ASN N 2.594 0.016 33 38 GLY N 2.674 0.017 34 39 VAL N 2.618 0.016 35 40 ASP N 2.326 0.016 36 41 GLY N 1.957 0.012 37 42 VAL N 2.674 0.017 38 43 TRP N 2.674 0.017 39 44 THR N 2.725 0.029 40 45 TYR N 2.591 0.027 41 46 ASP N 2.628 0.015 42 47 ASP N 2.604 0.030 43 48 ALA N 2.454 0.028 44 49 THR N 2.594 0.038 45 50 LYS N 2.778 0.024 46 51 THR N 2.695 0.020 47 52 PHE N 2.786 0.020 48 53 THR N 2.685 0.018 49 54 VAL N 2.809 0.018 50 55 THR N 2.732 0.017 51 56 GLU N 2.681 0.017 stop_ save_ save_GB3_15N_T1_relaxation_2 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $Felix stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name GB3 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLN N 2.156 0.032 2 3 TYR N 2.317 0.008 3 4 LYS N 2.425 0.008 4 5 LEU N 2.472 0.011 5 6 VAL N 2.421 0.010 6 7 ILE N 2.401 0.014 7 8 ASN N 2.382 0.013 8 9 GLY N 2.341 0.019 9 10 LYS N 2.255 0.007 10 11 THR N 2.133 0.007 11 12 LEU N 1.902 0.006 12 13 LYS N 2.180 0.007 13 14 GLY N 2.066 0.007 14 16 THR N 2.331 0.008 15 17 THR N 2.251 0.010 16 18 THR N 2.364 0.008 17 19 LYS N 2.164 0.009 18 20 ALA N 2.266 0.007 19 21 VAL N 2.323 0.008 20 22 ASP N 2.382 0.008 21 23 ALA N 2.373 0.008 22 24 GLU N 2.254 0.007 23 26 ALA N 2.487 0.010 24 28 LYS N 2.381 0.009 25 29 ALA N 2.428 0.008 26 30 PHE N 2.411 0.008 27 31 LYS N 2.445 0.008 28 32 GLN N 2.380 0.008 29 33 TYR N 2.425 0.010 30 34 ALA N 2.472 0.008 31 36 ASP N 2.371 0.008 32 37 ASN N 2.278 0.007 33 38 GLY N 2.353 0.008 34 39 VAL N 2.293 0.007 35 40 ASP N 2.033 0.007 36 41 GLY N 1.731 0.006 37 42 VAL N 2.350 0.011 38 43 TRP N 2.374 0.008 39 44 THR N 2.398 0.008 40 45 TYR N 2.284 0.010 41 46 ASP N 2.371 0.008 42 47 ASP N 2.280 0.012 43 48 ALA N 2.153 0.009 44 49 THR N 2.239 0.007 45 50 LYS N 2.474 0.008 46 51 THR N 2.387 0.010 47 52 PHE N 2.448 0.008 48 53 THR N 2.371 0.013 49 54 VAL N 2.475 0.008 50 55 THR N 2.385 0.012 51 56 GLU N 2.380 0.015 stop_ save_ save_GB3_15N_T1_relaxation_3 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $Felix stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name GB3 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLN N 1.678 0.032 2 3 TYR N 1.910 0.010 3 4 LYS N 2.010 0.013 4 5 LEU N 2.055 0.012 5 6 VAL N 1.988 0.010 6 7 ILE N 2.001 0.020 7 8 ASN N 1.952 0.011 8 9 GLY N 1.943 0.010 9 10 LYS N 1.899 0.009 10 11 THR N 1.757 0.009 11 12 LEU N 1.631 0.008 12 13 LYS N 1.840 0.013 13 14 GLY N 1.754 0.009 14 16 THR N 1.936 0.010 15 17 THR N 1.812 0.013 16 18 THR N 1.956 0.010 17 19 LYS N 1.753 0.010 18 20 ALA N 1.866 0.009 19 21 VAL N 1.877 0.009 20 22 ASP N 1.990 0.020 21 23 ALA N 1.941 0.016 22 24 GLU N 1.848 0.009 23 26 ALA N 2.050 0.013 24 28 LYS N 1.905 0.010 25 29 ALA N 1.978 0.012 26 30 PHE N 1.968 0.012 27 31 LYS N 2.002 0.010 28 32 GLN N 1.946 0.010 29 33 TYR N 1.990 0.010 30 34 ALA N 2.065 0.010 31 36 ASP N 1.972 0.012 32 37 ASN N 1.876 0.018 33 38 GLY N 1.975 0.010 34 39 VAL N 1.911 0.010 35 40 ASP N 1.722 0.009 36 41 GLY N 1.517 0.008 37 42 VAL N 1.940 0.010 38 43 TRP N 1.998 0.010 39 44 THR N 1.975 0.023 40 45 TYR N 1.855 0.009 41 46 ASP N 1.929 0.011 42 47 ASP N 1.847 0.010 43 48 ALA N 1.819 0.015 44 49 THR N 1.744 0.014 45 50 LYS N 2.114 0.011 46 51 THR N 1.920 0.011 47 52 PHE N 1.958 0.019 48 53 THR N 1.904 0.010 49 54 VAL N 2.079 0.010 50 55 THR N 1.923 0.014 51 56 GLU N 2.012 0.010 stop_ save_ save_GB3_15N_T1_relaxation_4 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $Felix stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 900 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name GB3 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 GLN N 1.726 0.022 2 3 TYR N 1.800 0.007 3 4 LYS N 1.867 0.006 4 5 LEU N 1.925 0.006 5 6 VAL N 1.850 0.006 6 7 ILE N 1.835 0.006 7 8 ASN N 1.815 0.008 8 9 GLY N 1.799 0.006 9 10 LYS N 1.808 0.007 10 11 THR N 1.699 0.007 11 12 LEU N 1.567 0.005 12 13 LYS N 1.702 0.006 13 14 GLY N 1.621 0.005 14 16 THR N 1.828 0.006 15 17 THR N 1.764 0.007 16 18 THR N 1.840 0.006 17 19 LYS N 1.692 0.005 18 20 ALA N 1.778 0.006 19 21 VAL N 1.802 0.008 20 22 ASP N 1.871 0.006 21 23 ALA N 1.820 0.007 22 24 GLU N 1.748 0.006 23 26 ALA N 1.862 0.007 24 28 LYS N 1.715 0.006 25 29 ALA N 1.762 0.007 26 30 PHE N 1.813 0.010 27 31 LYS N 1.845 0.006 28 32 GLN N 1.797 0.006 29 33 TYR N 1.840 0.006 30 34 ALA N 1.889 0.006 31 36 ASP N 1.810 0.006 32 37 ASN N 1.717 0.006 33 38 GLY N 1.823 0.006 34 39 VAL N 1.795 0.006 35 40 ASP N 1.591 0.005 36 41 GLY N 1.422 0.005 37 42 VAL N 1.805 0.006 38 43 TRP N 1.874 0.006 39 44 THR N 1.867 0.006 40 45 TYR N 1.768 0.006 41 46 ASP N 1.838 0.007 42 47 ASP N 1.789 0.006 43 48 ALA N 1.726 0.007 44 49 THR N 1.594 0.006 45 50 LYS N 2.020 0.007 46 51 THR N 1.835 0.008 47 52 PHE N 1.689 0.012 48 53 THR N 1.794 0.007 49 54 VAL N 1.942 0.009 50 55 THR N 1.821 0.006 51 56 GLU N 1.860 0.009 stop_ save_ save_GB3_15N_T2_relaxation_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $Felix stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 500 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name GB3 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 GLN N 4.833 0.025 . . 2 3 TYR N 4.678 0.059 . . 3 4 LYS N 4.865 0.030 . . 4 5 LEU N 4.890 0.021 . . 5 6 VAL N 4.832 0.021 . . 6 7 ILE N 4.786 0.021 . . 7 8 ASN N 4.833 0.021 . . 8 9 GLY N 4.662 0.038 . . 9 10 LYS N 4.470 0.039 . . 10 11 THR N 4.388 0.021 . . 11 12 LEU N 3.712 0.021 . . 12 13 LYS N 4.410 0.021 . . 13 14 GLY N 4.161 0.021 . . 14 16 THR N 4.593 0.021 . . 15 17 THR N 4.549 0.028 . . 16 18 THR N 4.749 0.021 . . 17 19 LYS N 4.503 0.026 . . 18 20 ALA N 4.532 0.021 . . 19 21 VAL N 4.726 0.021 . . 20 22 ASP N 4.942 0.021 . . 21 23 ALA N 5.037 0.021 . . 22 24 GLU N 5.030 0.021 . . 23 26 ALA N 5.347 0.021 . . 24 28 LYS N 5.389 0.028 . . 25 29 ALA N 5.270 0.031 . . 26 30 PHE N 5.214 0.021 . . 27 31 LYS N 5.486 0.021 . . 28 32 GLN N 5.401 0.029 . . 29 33 TYR N 5.290 0.021 . . 30 34 ALA N 5.422 0.026 . . 31 36 ASP N 5.369 0.021 . . 32 37 ASN N 4.793 0.021 . . 33 38 GLY N 4.967 0.024 . . 34 39 VAL N 5.002 0.021 . . 35 40 ASP N 4.267 0.021 . . 36 41 GLY N 3.456 0.021 . . 37 42 VAL N 4.796 0.025 . . 38 43 TRP N 4.714 0.030 . . 39 44 THR N 4.747 0.021 . . 40 45 TYR N 4.562 0.032 . . 41 46 ASP N 4.726 0.025 . . 42 47 ASP N 4.592 0.024 . . 43 48 ALA N 4.479 0.043 . . 44 49 THR N 4.698 0.026 . . 45 50 LYS N 4.826 0.021 . . 46 51 THR N 4.772 0.028 . . 47 52 PHE N 4.894 0.048 . . 48 53 THR N 4.825 0.041 . . 49 54 VAL N 4.917 0.021 . . 50 55 THR N 4.904 0.028 . . 51 56 GLU N 4.750 0.021 . . stop_ save_ save_GB3_15N_T2_relaxation_2 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $Felix stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name GB3 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 GLN N 5.237 0.078 . . 2 3 TYR N 5.051 0.040 . . 3 4 LYS N 5.273 0.031 . . 4 5 LEU N 5.290 0.035 . . 5 6 VAL N 5.245 0.071 . . 6 7 ILE N 5.142 0.035 . . 7 8 ASN N 5.183 0.031 . . 8 9 GLY N 5.049 0.031 . . 9 10 LYS N 4.874 0.031 . . 10 11 THR N 4.915 0.075 . . 11 12 LEU N 4.121 0.043 . . 12 13 LYS N 4.853 0.031 . . 13 14 GLY N 4.609 0.046 . . 14 16 THR N 5.052 0.069 . . 15 17 THR N 4.969 0.031 . . 16 18 THR N 5.150 0.043 . . 17 19 LYS N 4.821 0.035 . . 18 20 ALA N 4.894 0.046 . . 19 21 VAL N 5.100 0.034 . . 20 22 ASP N 5.448 0.031 . . 21 23 ALA N 5.499 0.031 . . 22 24 GLU N 5.518 0.031 . . 23 26 ALA N 5.695 0.031 . . 24 28 LYS N 5.875 0.056 . . 25 29 ALA N 5.688 0.031 . . 26 30 PHE N 5.669 0.031 . . 27 31 LYS N 5.983 0.053 . . 28 32 GLN N 5.856 0.031 . . 29 33 TYR N 5.766 0.034 . . 30 34 ALA N 5.870 0.031 . . 31 36 ASP N 5.799 0.038 . . 32 37 ASN N 5.205 0.031 . . 33 38 GLY N 5.395 0.031 . . 34 39 VAL N 5.457 0.049 . . 35 40 ASP N 4.692 0.031 . . 36 41 GLY N 3.773 0.031 . . 37 42 VAL N 5.216 0.031 . . 38 43 TRP N 5.246 0.031 . . 39 44 THR N 5.121 0.058 . . 40 45 TYR N 5.004 0.031 . . 41 46 ASP N 5.086 0.040 . . 42 47 ASP N 4.959 0.049 . . 43 48 ALA N 4.952 0.037 . . 44 49 THR N 5.055 0.031 . . 45 50 LYS N 5.302 0.031 . . 46 51 THR N 5.205 0.031 . . 47 52 PHE N 5.257 0.031 . . 48 53 THR N 5.175 0.031 . . 49 54 VAL N 5.386 0.055 . . 50 55 THR N 5.297 0.038 . . 51 56 GLU N 5.212 0.031 . . stop_ save_ save_GB3_15N_T2_relaxation_3 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $Felix stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name GB3 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 GLN N 5.809 0.100 . . 2 3 TYR N 5.534 0.090 . . 3 4 LYS N 5.663 0.050 . . 4 5 LEU N 5.838 0.050 . . 5 6 VAL N 5.692 0.050 . . 6 7 ILE N 5.541 0.076 . . 7 8 ASN N 5.621 0.050 . . 8 9 GLY N 5.614 0.060 . . 9 10 LYS N 5.469 0.050 . . 10 11 THR N 5.577 0.068 . . 11 12 LEU N 4.512 0.050 . . 12 13 LYS N 5.275 0.062 . . 13 14 GLY N 5.111 0.050 . . 14 16 THR N 5.489 0.056 . . 15 17 THR N 5.547 0.081 . . 16 18 THR N 5.588 0.053 . . 17 19 LYS N 5.333 0.050 . . 18 20 ALA N 5.403 0.112 . . 19 21 VAL N 5.588 0.050 . . 20 22 ASP N 6.094 0.050 . . 21 23 ALA N 6.082 0.050 . . 22 24 GLU N 6.148 0.079 . . 23 26 ALA N 6.368 0.050 . . 24 28 LYS N 6.411 0.052 . . 25 29 ALA N 6.275 0.050 . . 26 30 PHE N 6.360 0.088 . . 27 31 LYS N 6.663 0.050 . . 28 32 GLN N 6.421 0.106 . . 29 33 TYR N 6.295 0.123 . . 30 34 ALA N 6.601 0.071 . . 31 36 ASP N 6.404 0.050 . . 32 37 ASN N 5.658 0.050 . . 33 38 GLY N 6.120 0.098 . . 34 39 VAL N 5.942 0.050 . . 35 40 ASP N 5.090 0.108 . . 36 41 GLY N 4.108 0.071 . . 37 42 VAL N 5.738 0.109 . . 38 43 TRP N 5.719 0.050 . . 39 44 THR N 5.707 0.050 . . 40 45 TYR N 5.388 0.050 . . 41 46 ASP N 5.629 0.050 . . 42 47 ASP N 5.552 0.103 . . 43 48 ALA N 5.621 0.075 . . 44 49 THR N 5.440 0.050 . . 45 50 LYS N 5.968 0.050 . . 46 51 THR N 5.708 0.057 . . 47 52 PHE N 5.804 0.084 . . 48 53 THR N 5.590 0.050 . . 49 54 VAL N 5.918 0.060 . . 50 55 THR N 5.701 0.050 . . 51 56 GLU N 5.580 0.050 . . stop_ save_ save_GB3_15N_T2_relaxation_4 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $Felix stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 900 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name GB3 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 GLN N 6.038 0.065 . . 2 3 TYR N 5.691 0.071 . . 3 4 LYS N 5.948 0.091 . . 4 5 LEU N 6.060 0.065 . . 5 6 VAL N 5.909 0.073 . . 6 7 ILE N 5.793 0.090 . . 7 8 ASN N 5.889 0.094 . . 8 9 GLY N 5.908 0.102 . . 9 10 LYS N 5.804 0.076 . . 10 11 THR N 5.836 0.065 . . 11 12 LEU N 4.853 0.065 . . 12 13 LYS N 5.495 0.065 . . 13 14 GLY N 5.325 0.089 . . 14 16 THR N 5.761 0.089 . . 15 17 THR N 5.807 0.162 . . 16 18 THR N 5.883 0.065 . . 17 19 LYS N 5.532 0.065 . . 18 20 ALA N 5.454 0.072 . . 19 21 VAL N 5.882 0.065 . . 20 22 ASP N 6.429 0.065 . . 21 23 ALA N 6.465 0.081 . . 22 24 GLU N 6.424 0.065 . . 23 26 ALA N 6.761 0.065 . . 24 28 LYS N 6.753 0.076 . . 25 29 ALA N 6.674 0.093 . . 26 30 PHE N 6.644 0.065 . . 27 31 LYS N 7.048 0.151 . . 28 32 GLN N 6.788 0.065 . . 29 33 TYR N 6.644 0.065 . . 30 34 ALA N 6.998 0.080 . . 31 36 ASP N 6.815 0.094 . . 32 37 ASN N 5.898 0.065 . . 33 38 GLY N 6.325 0.065 . . 34 39 VAL N 6.321 0.065 . . 35 40 ASP N 5.298 0.065 . . 36 41 GLY N 4.174 0.065 . . 37 42 VAL N 6.009 0.065 . . 38 43 TRP N 6.002 0.065 . . 39 44 THR N 6.039 0.065 . . 40 45 TYR N 5.688 0.065 . . 41 46 ASP N 5.758 0.100 . . 42 47 ASP N 5.799 0.077 . . 43 48 ALA N 5.906 0.065 . . 44 49 THR N 5.547 0.065 . . 45 50 LYS N 6.355 0.106 . . 46 51 THR N 5.991 0.134 . . 47 52 PHE N 6.058 0.065 . . 48 53 THR N 5.855 0.065 . . 49 54 VAL N 6.185 0.091 . . 50 55 THR N 5.902 0.100 . . 51 56 GLU N 6.055 0.065 . . stop_ save_