######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_Ground _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_Ground _Heteronucl_T2_list.Entry_ID 26520 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details ; Ground State Values of obtained from fits of all CEST profiles recorded on the A39G FF domain, 1C, 11.7T to a global two-site exchange processes. Values of (kex,pE) were fixed to (51.6 s-1,1.65%) and profiles for all of the residues fit simultaneously. The 37 residues that showed clear evidence for a second state are as follows (well resolved dips for both ground and excited states in profiles) 10 13 15 18 22 25 26 27 28 29 33 37 38 39 41 42 43 44 45 48 50 51 52 53 54 55 56 59 60 61 63 64 65 66 67 68 69 ; _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 26520 1 2 '2D 1H-15N HMQC' . . . 26520 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLN N N 15 1.81 0.09 . . . . . . . 26520 1 2 . 1 1 5 5 ALA N N 15 2.74 0.08 . . . . . . . 26520 1 3 . 1 1 6 6 LYS N N 15 3.57 0.07 . . . . . . . 26520 1 4 . 1 1 7 7 LYS N N 15 5.07 0.06 . . . . . . . 26520 1 5 . 1 1 8 8 THR N N 15 8.33 0.07 . . . . . . . 26520 1 6 . 1 1 9 9 TYR N N 15 7.58 0.11 . . . . . . . 26520 1 7 . 1 1 10 10 THR N N 15 10.32 0.11 . . . . . . . 26520 1 8 . 1 1 11 11 TRP N N 15 16.17 0.33 . . . . . . . 26520 1 9 . 1 1 12 12 ASN N N 15 13.96 0.14 . . . . . . . 26520 1 10 . 1 1 13 13 THR N N 15 13.96 0.08 . . . . . . . 26520 1 11 . 1 1 14 14 LYS N N 15 11.67 0.15 . . . . . . . 26520 1 12 . 1 1 15 15 GLU N N 15 11.95 0.07 . . . . . . . 26520 1 13 . 1 1 16 16 GLU N N 15 11.16 0.09 . . . . . . . 26520 1 14 . 1 1 17 17 ALA N N 15 12.92 0.11 . . . . . . . 26520 1 15 . 1 1 18 18 LYS N N 15 12.31 0.09 . . . . . . . 26520 1 16 . 1 1 19 19 GLN N N 15 12.62 0.08 . . . . . . . 26520 1 17 . 1 1 20 20 ALA N N 15 12.79 0.40 . . . . . . . 26520 1 18 . 1 1 21 21 PHE N N 15 11.45 0.12 . . . . . . . 26520 1 19 . 1 1 22 22 LYS N N 15 12.42 0.08 . . . . . . . 26520 1 20 . 1 1 23 23 GLU N N 15 12.77 0.25 . . . . . . . 26520 1 21 . 1 1 24 24 LEU N N 15 12.27 0.17 . . . . . . . 26520 1 22 . 1 1 25 25 LEU N N 15 12.83 0.11 . . . . . . . 26520 1 23 . 1 1 26 26 LYS N N 15 12.54 0.08 . . . . . . . 26520 1 24 . 1 1 27 27 GLU N N 15 12.72 0.09 . . . . . . . 26520 1 25 . 1 1 28 28 LYS N N 15 11.91 0.09 . . . . . . . 26520 1 26 . 1 1 29 29 ARG N N 15 12.24 0.09 . . . . . . . 26520 1 27 . 1 1 30 30 VAL N N 15 12.66 0.08 . . . . . . . 26520 1 28 . 1 1 32 32 SER N N 15 11.04 0.10 . . . . . . . 26520 1 29 . 1 1 33 33 ASN N N 15 11.85 0.07 . . . . . . . 26520 1 30 . 1 1 34 34 ALA N N 15 12.24 0.07 . . . . . . . 26520 1 31 . 1 1 35 35 SER N N 15 11.26 0.07 . . . . . . . 26520 1 32 . 1 1 36 36 TRP N N 15 12.74 0.18 . . . . . . . 26520 1 33 . 1 1 37 37 GLU N N 15 12.85 0.09 . . . . . . . 26520 1 34 . 1 1 38 38 GLN N N 15 13.01 0.09 . . . . . . . 26520 1 35 . 1 1 39 39 ALA N N 15 12.71 0.10 . . . . . . . 26520 1 36 . 1 1 40 40 MET N N 15 14.08 0.09 . . . . . . . 26520 1 37 . 1 1 41 41 LYS N N 15 13.95 0.09 . . . . . . . 26520 1 38 . 1 1 42 42 MET N N 15 12.69 0.11 . . . . . . . 26520 1 39 . 1 1 43 43 ILE N N 15 12.71 0.12 . . . . . . . 26520 1 40 . 1 1 44 44 ILE N N 15 13.57 0.12 . . . . . . . 26520 1 41 . 1 1 45 45 ASN N N 15 13.16 0.07 . . . . . . . 26520 1 42 . 1 1 46 46 ASP N N 15 10.92 0.07 . . . . . . . 26520 1 43 . 1 1 48 48 ARG N N 15 12.06 0.10 . . . . . . . 26520 1 44 . 1 1 50 50 SER N N 15 12.18 0.08 . . . . . . . 26520 1 45 . 1 1 51 51 ALA N N 15 13.06 0.09 . . . . . . . 26520 1 46 . 1 1 52 52 LEU N N 15 14.19 0.21 . . . . . . . 26520 1 47 . 1 1 53 53 ALA N N 15 10.83 0.07 . . . . . . . 26520 1 48 . 1 1 54 54 LYS N N 15 10.51 0.06 . . . . . . . 26520 1 49 . 1 1 55 55 LEU N N 15 11.84 0.10 . . . . . . . 26520 1 50 . 1 1 56 56 SER N N 15 12.13 0.09 . . . . . . . 26520 1 51 . 1 1 57 57 GLU N N 15 12.68 0.11 . . . . . . . 26520 1 52 . 1 1 58 58 LYS N N 15 12.30 0.14 . . . . . . . 26520 1 53 . 1 1 59 59 LYS N N 15 12.77 0.12 . . . . . . . 26520 1 54 . 1 1 60 60 GLN N N 15 12.64 0.06 . . . . . . . 26520 1 55 . 1 1 61 61 ALA N N 15 12.91 0.08 . . . . . . . 26520 1 56 . 1 1 62 62 PHE N N 15 12.39 0.11 . . . . . . . 26520 1 57 . 1 1 63 63 ASN N N 15 12.33 0.07 . . . . . . . 26520 1 58 . 1 1 64 64 ALA N N 15 12.49 0.08 . . . . . . . 26520 1 59 . 1 1 65 65 TYR N N 15 11.88 0.09 . . . . . . . 26520 1 60 . 1 1 66 66 LYS N N 15 12.24 0.09 . . . . . . . 26520 1 61 . 1 1 67 67 VAL N N 15 12.16 0.07 . . . . . . . 26520 1 62 . 1 1 68 68 GLN N N 15 10.53 0.05 . . . . . . . 26520 1 63 . 1 1 69 69 THR N N 15 7.70 0.04 . . . . . . . 26520 1 64 . 1 1 70 70 GLU N N 15 6.73 0.03 . . . . . . . 26520 1 65 . 1 1 71 71 LYS N N 15 4.34 0.09 . . . . . . . 26520 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_Excited _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_Excited _Heteronucl_T2_list.Entry_ID 26520 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details ; Excited State Values of obtained from fits of all CEST profiles recorded on the A39G FF domain, 1C, 11.7T to a global two-site exchange processes. Values of (kex,pE) were fixed to (51.6 s-1,1.65%) and profiles for all of the residues fit simultaneously. The 37 residues that showed clear evidence for a second state are as follows (well resolved dips for both ground and excited states in profiles) 10 13 15 18 22 25 26 27 28 29 33 37 38 39 41 42 43 44 45 48 50 51 52 53 54 55 56 59 60 61 63 64 65 66 67 68 69 ; _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 26520 2 2 '2D 1H-15N HMQC' . . . 26520 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLN N N 15 0.9 5.2 . . . . . . . 26520 2 2 . 1 1 5 5 ALA N N 15 0.3 4.3 . . . . . . . 26520 2 3 . 1 1 6 6 LYS N N 15 0.0 3.3 . . . . . . . 26520 2 4 . 1 1 7 7 LYS N N 15 0.5 3.7 . . . . . . . 26520 2 5 . 1 1 8 8 THR N N 15 7.9 2.9 . . . . . . . 26520 2 6 . 1 1 9 9 TYR N N 15 19.1 7.1 . . . . . . . 26520 2 7 . 1 1 10 10 THR N N 15 27.2 5.2 . . . . . . . 26520 2 8 . 1 1 11 11 TRP N N 15 42.5 18.4 . . . . . . . 26520 2 9 . 1 1 12 12 ASN N N 15 1.0 7.0 . . . . . . . 26520 2 10 . 1 1 13 13 THR N N 15 120.2 6.3 . . . . . . . 26520 2 11 . 1 1 14 14 LYS N N 15 14.6 8.8 . . . . . . . 26520 2 12 . 1 1 15 15 GLU N N 15 35.7 3.4 . . . . . . . 26520 2 13 . 1 1 16 16 GLU N N 15 26.0 4.8 . . . . . . . 26520 2 14 . 1 1 17 17 ALA N N 15 13.1 3.9 . . . . . . . 26520 2 15 . 1 1 18 18 LYS N N 15 39.3 4.3 . . . . . . . 26520 2 16 . 1 1 19 19 GLN N N 15 39.1 4.6 . . . . . . . 26520 2 17 . 1 1 20 20 ALA N N 15 66.5 33.9 . . . . . . . 26520 2 18 . 1 1 21 21 PHE N N 15 33.4 7.8 . . . . . . . 26520 2 19 . 1 1 22 22 LYS N N 15 75.1 5.4 . . . . . . . 26520 2 20 . 1 1 23 23 GLU N N 15 33.9 18.1 . . . . . . . 26520 2 21 . 1 1 24 24 LEU N N 15 28.6 10.9 . . . . . . . 26520 2 22 . 1 1 25 25 LEU N N 15 62.7 6.4 . . . . . . . 26520 2 23 . 1 1 26 26 LYS N N 15 92.9 5.9 . . . . . . . 26520 2 24 . 1 1 27 27 GLU N N 15 64.8 5.9 . . . . . . . 26520 2 25 . 1 1 28 28 LYS N N 15 204.9 11.4 . . . . . . . 26520 2 26 . 1 1 29 29 ARG N N 15 163.1 9.3 . . . . . . . 26520 2 27 . 1 1 30 30 VAL N N 15 88.2 6.8 . . . . . . . 26520 2 28 . 1 1 32 32 SER N N 15 28.4 6.2 . . . . . . . 26520 2 29 . 1 1 33 33 ASN N N 15 85.8 4.8 . . . . . . . 26520 2 30 . 1 1 34 34 ALA N N 15 17.8 2.8 . . . . . . . 26520 2 31 . 1 1 35 35 SER N N 15 28.4 3.9 . . . . . . . 26520 2 32 . 1 1 36 36 TRP N N 15 7.1 8.4 . . . . . . . 26520 2 33 . 1 1 37 37 GLU N N 15 100.7 6.3 . . . . . . . 26520 2 34 . 1 1 38 38 GLN N N 15 18.9 4.5 . . . . . . . 26520 2 35 . 1 1 39 39 ALA N N 15 30.1 4.5 . . . . . . . 26520 2 36 . 1 1 40 40 MET N N 15 14.6 4.7 . . . . . . . 26520 2 37 . 1 1 41 41 LYS N N 15 103.4 6.5 . . . . . . . 26520 2 38 . 1 1 42 42 MET N N 15 165.0 11.1 . . . . . . . 26520 2 39 . 1 1 43 43 ILE N N 15 217.1 14.6 . . . . . . . 26520 2 40 . 1 1 44 44 ILE N N 15 197.0 13.6 . . . . . . . 26520 2 41 . 1 1 45 45 ASN N N 15 161.9 7.4 . . . . . . . 26520 2 42 . 1 1 46 46 ASP N N 15 28.2 4.7 . . . . . . . 26520 2 43 . 1 1 48 48 ARG N N 15 29.0 4.2 . . . . . . . 26520 2 44 . 1 1 50 50 SER N N 15 70.1 4.7 . . . . . . . 26520 2 45 . 1 1 51 51 ALA N N 15 59.5 6.4 . . . . . . . 26520 2 46 . 1 1 52 52 LEU N N 15 21.9 8.6 . . . . . . . 26520 2 47 . 1 1 53 53 ALA N N 15 47.6 4.4 . . . . . . . 26520 2 48 . 1 1 54 54 LYS N N 15 69.5 3.8 . . . . . . . 26520 2 49 . 1 1 55 55 LEU N N 15 35.0 4.4 . . . . . . . 26520 2 50 . 1 1 56 56 SER N N 15 88.1 6.3 . . . . . . . 26520 2 51 . 1 1 57 57 GLU N N 15 38.2 7.2 . . . . . . . 26520 2 52 . 1 1 58 58 LYS N N 15 40.3 8.8 . . . . . . . 26520 2 53 . 1 1 59 59 LYS N N 15 38.5 5.9 . . . . . . . 26520 2 54 . 1 1 60 60 GLN N N 15 33.9 3.2 . . . . . . . 26520 2 55 . 1 1 61 61 ALA N N 15 18.8 3.4 . . . . . . . 26520 2 56 . 1 1 62 62 PHE N N 15 13.7 4.5 . . . . . . . 26520 2 57 . 1 1 63 63 ASN N N 15 39.9 4.0 . . . . . . . 26520 2 58 . 1 1 64 64 ALA N N 15 20.7 3.4 . . . . . . . 26520 2 59 . 1 1 65 65 TYR N N 15 21.7 4.3 . . . . . . . 26520 2 60 . 1 1 66 66 LYS N N 15 49.5 5.2 . . . . . . . 26520 2 61 . 1 1 67 67 VAL N N 15 62.0 3.8 . . . . . . . 26520 2 62 . 1 1 68 68 GLN N N 15 44.0 2.9 . . . . . . . 26520 2 63 . 1 1 69 69 THR N N 15 12.5 2.0 . . . . . . . 26520 2 64 . 1 1 70 70 GLU N N 15 3.1 1.6 . . . . . . . 26520 2 65 . 1 1 71 71 LYS N N 15 1.0 5.0 . . . . . . . 26520 2 stop_ save_