######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51066 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'T2/R2 in S100A8 in the presence of excess Ca(II) ions' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving and temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 900.1 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _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 18 'T2/R2 relaxation' . . . 51066 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 51066 1 2 $software_2 . . 51066 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 2 2 LEU N N 15 4.88 0.16 . . . . . . . 51066 1 2 . 1 1 3 3 THR N N 15 27.26 0.83 . . . . . . . 51066 1 3 . 1 1 4 4 GLU N N 15 28.69 0.21 . . . . . . . 51066 1 4 . 1 1 5 5 LEU N N 15 28.61 0.19 . . . . . . . 51066 1 5 . 1 1 6 6 GLU N N 15 28.11 0.62 . . . . . . . 51066 1 6 . 1 1 7 7 LYS N N 15 30.18 0.44 . . . . . . . 51066 1 7 . 1 1 8 8 ALA N N 15 28.89 0.26 . . . . . . . 51066 1 8 . 1 1 9 9 LEU N N 15 29.79 0.58 . . . . . . . 51066 1 9 . 1 1 10 10 ASN N N 15 30.3 0.72 . . . . . . . 51066 1 10 . 1 1 11 11 SER N N 15 32.27 0.29 . . . . . . . 51066 1 11 . 1 1 12 12 ILE N N 15 29.27 0.45 . . . . . . . 51066 1 12 . 1 1 13 13 ILE N N 15 32.23 0.42 . . . . . . . 51066 1 13 . 1 1 15 15 VAL N N 15 29.17 0.83 . . . . . . . 51066 1 14 . 1 1 16 16 TYR N N 15 30.73 0.78 . . . . . . . 51066 1 15 . 1 1 26 26 PHE N N 15 45.77 2.2 . . . . . . . 51066 1 16 . 1 1 29 29 VAL N N 15 30.98 1.23 . . . . . . . 51066 1 17 . 1 1 30 30 TYR N N 15 24.76 0.92 . . . . . . . 51066 1 18 . 1 1 31 31 ARG N N 15 27.54 4.09 . . . . . . . 51066 1 19 . 1 1 32 32 ASP N N 15 29.79 0.17 . . . . . . . 51066 1 20 . 1 1 33 33 ASP N N 15 33.67 0.75 . . . . . . . 51066 1 21 . 1 1 34 34 LEU N N 15 30.52 1.18 . . . . . . . 51066 1 22 . 1 1 35 35 LYS N N 15 34.46 10.01 . . . . . . . 51066 1 23 . 1 1 40 40 THR N N 15 27.89 0.45 . . . . . . . 51066 1 24 . 1 1 53 53 VAL N N 15 28.29 0.48 . . . . . . . 51066 1 25 . 1 1 56 56 LYS N N 15 28.79 0.78 . . . . . . . 51066 1 26 . 1 1 57 57 GLU N N 15 31.06 0.34 . . . . . . . 51066 1 27 . 1 1 59 59 ASP N N 15 33.48 3.1 . . . . . . . 51066 1 28 . 1 1 60 60 LYS N N 15 34.35 3.78 . . . . . . . 51066 1 29 . 1 1 61 61 ASN N N 15 27.46 0.2 . . . . . . . 51066 1 30 . 1 1 62 62 THR N N 15 33.3 0.67 . . . . . . . 51066 1 31 . 1 1 63 63 ASP N N 15 29.8 0.61 . . . . . . . 51066 1 32 . 1 1 64 64 GLY N N 15 30.25 1.4 . . . . . . . 51066 1 33 . 1 1 65 65 ALA N N 15 27.26 0.12 . . . . . . . 51066 1 34 . 1 1 66 66 VAL N N 15 28.73 1.39 . . . . . . . 51066 1 35 . 1 1 67 67 ASN N N 15 30.5 0.78 . . . . . . . 51066 1 36 . 1 1 68 68 PHE N N 15 30.89 7.44 . . . . . . . 51066 1 37 . 1 1 69 69 GLN N N 15 32.21 0.82 . . . . . . . 51066 1 38 . 1 1 70 70 GLU N N 15 40.18 1.87 . . . . . . . 51066 1 39 . 1 1 71 71 PHE N N 15 30.49 1.12 . . . . . . . 51066 1 40 . 1 1 72 72 LEU N N 15 33.27 1.94 . . . . . . . 51066 1 41 . 1 1 73 73 ILE N N 15 33.13 1.26 . . . . . . . 51066 1 42 . 1 1 74 74 LEU N N 15 30.68 0.58 . . . . . . . 51066 1 43 . 1 1 75 75 VAL N N 15 31.64 0.6 . . . . . . . 51066 1 44 . 1 1 76 76 ILE N N 15 28.17 3.02 . . . . . . . 51066 1 45 . 1 1 80 80 VAL N N 15 30.43 0.51 . . . . . . . 51066 1 46 . 1 1 81 81 ALA N N 15 30.84 0.67 . . . . . . . 51066 1 47 . 1 1 82 82 ALA N N 15 30.85 2 . . . . . . . 51066 1 48 . 1 1 83 83 HIS N N 15 30.01 1.02 . . . . . . . 51066 1 49 . 1 1 84 84 LYS N N 15 29.27 0.16 . . . . . . . 51066 1 50 . 1 1 85 85 LYS N N 15 29.99 0.54 . . . . . . . 51066 1 51 . 1 1 86 86 SER N N 15 24 0.67 . . . . . . . 51066 1 52 . 1 1 87 87 HIS N N 15 23.19 2.14 . . . . . . . 51066 1 53 . 1 1 88 88 GLU N N 15 16.08 0.4 . . . . . . . 51066 1 54 . 1 1 89 89 GLU N N 15 11.8 0.3 . . . . . . . 51066 1 55 . 1 1 90 90 SER N N 15 7.52 0.19 . . . . . . . 51066 1 56 . 1 1 91 91 HIS N N 15 7.17 0.51 . . . . . . . 51066 1 57 . 1 1 92 92 LYS N N 15 4.88 0.11 . . . . . . . 51066 1 58 . 1 1 93 93 GLU N N 15 2.52 0.03 . . . . . . . 51066 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_2 _Heteronucl_T2_list.Entry_ID 51066 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name 'T2/R2 in S100A9 in the presence of excess Ca(II) ions' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving and temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 900.1 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details ; Additional values: 108* G 7.63 0.74 112* G 4.17 0.45 113* T 2.3 0.12 ; _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 18 'T2/R2 relaxation' . . . 51066 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 51066 2 2 $software_2 . . 51066 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 . 2 2 4 4 LYS N N 15 4.6 0.28 . . . . . . . 51066 2 2 . 2 2 5 5 MET N N 15 11.48 0.32 . . . . . . . 51066 2 3 . 2 2 7 7 GLN N N 15 25.03 1.79 . . . . . . . 51066 2 4 . 2 2 8 8 LEU N N 15 28.79 3.02 . . . . . . . 51066 2 5 . 2 2 9 9 GLU N N 15 28.54 1.43 . . . . . . . 51066 2 6 . 2 2 10 10 ARG N N 15 23.98 0.93 . . . . . . . 51066 2 7 . 2 2 11 11 ASN N N 15 26.46 0.38 . . . . . . . 51066 2 8 . 2 2 14 14 THR N N 15 28.92 0.65 . . . . . . . 51066 2 9 . 2 2 15 15 ILE N N 15 28.84 0.88 . . . . . . . 51066 2 10 . 2 2 17 17 ASN N N 15 28.56 1.52 . . . . . . . 51066 2 11 . 2 2 18 18 THR N N 15 28.6 0.88 . . . . . . . 51066 2 12 . 2 2 19 19 PHE N N 15 28.02 1.17 . . . . . . . 51066 2 13 . 2 2 20 20 HIS N N 15 29.33 1.36 . . . . . . . 51066 2 14 . 2 2 21 21 GLN N N 15 33.67 0.57 . . . . . . . 51066 2 15 . 2 2 22 22 TYR N N 15 27.26 0.59 . . . . . . . 51066 2 16 . 2 2 23 23 SER N N 15 26.41 0.73 . . . . . . . 51066 2 17 . 2 2 24 24 VAL N N 15 32.79 0.69 . . . . . . . 51066 2 18 . 2 2 25 25 LYS N N 15 27.51 0.57 . . . . . . . 51066 2 19 . 2 2 26 26 LEU N N 15 26.23 0.53 . . . . . . . 51066 2 20 . 2 2 31 31 THR N N 15 22.71 0.99 . . . . . . . 51066 2 21 . 2 2 32 32 LEU N N 15 23.93 0.62 . . . . . . . 51066 2 22 . 2 2 33 33 ASN N N 15 23.47 1.36 . . . . . . . 51066 2 23 . 2 2 34 34 GLN N N 15 24.55 0.52 . . . . . . . 51066 2 24 . 2 2 35 35 GLY N N 15 27.34 0.87 . . . . . . . 51066 2 25 . 2 2 36 36 GLU N N 15 23.79 0.49 . . . . . . . 51066 2 26 . 2 2 37 37 PHE N N 15 26.39 0.51 . . . . . . . 51066 2 27 . 2 2 38 38 LYS N N 15 31.18 1.33 . . . . . . . 51066 2 28 . 2 2 39 39 GLU N N 15 28.18 0.56 . . . . . . . 51066 2 29 . 2 2 40 40 LEU N N 15 24.84 0.42 . . . . . . . 51066 2 30 . 2 2 41 41 VAL N N 15 28.13 0.4 . . . . . . . 51066 2 31 . 2 2 42 42 ARG N N 15 27.18 0.62 . . . . . . . 51066 2 32 . 2 2 43 43 LYS N N 15 26.41 0.31 . . . . . . . 51066 2 33 . 2 2 44 44 ASP N N 15 24.89 0.55 . . . . . . . 51066 2 34 . 2 2 45 45 LEU N N 15 26.56 0.87 . . . . . . . 51066 2 35 . 2 2 46 46 GLN N N 15 25.34 0.19 . . . . . . . 51066 2 36 . 2 2 47 47 ASN N N 15 29.3 2.47 . . . . . . . 51066 2 37 . 2 2 48 48 PHE N N 15 22.85 0.71 . . . . . . . 51066 2 38 . 2 2 49 49 LEU N N 15 25.3 0.23 . . . . . . . 51066 2 39 . 2 2 50 50 LYS N N 15 24.83 0.41 . . . . . . . 51066 2 40 . 2 2 51 51 LYS N N 15 27.73 0.53 . . . . . . . 51066 2 41 . 2 2 52 52 GLU N N 15 25.62 0.47 . . . . . . . 51066 2 42 . 2 2 53 53 ASN N N 15 26.36 0.76 . . . . . . . 51066 2 43 . 2 2 54 54 LYS N N 15 27.44 0.28 . . . . . . . 51066 2 44 . 2 2 55 55 ASN N N 15 24.19 0.35 . . . . . . . 51066 2 45 . 2 2 56 56 GLU N N 15 23.47 1.4 . . . . . . . 51066 2 46 . 2 2 57 57 LYS N N 15 25.89 0.18 . . . . . . . 51066 2 47 . 2 2 58 58 VAL N N 15 24.61 0.42 . . . . . . . 51066 2 48 . 2 2 59 59 ILE N N 15 26.11 0.37 . . . . . . . 51066 2 49 . 2 2 60 60 GLU N N 15 30.83 0.77 . . . . . . . 51066 2 50 . 2 2 61 61 HIS N N 15 26.86 0.4 . . . . . . . 51066 2 51 . 2 2 62 62 ILE N N 15 26.72 0.64 . . . . . . . 51066 2 52 . 2 2 63 63 MET N N 15 27.59 0.69 . . . . . . . 51066 2 53 . 2 2 64 64 GLU N N 15 26.32 0.28 . . . . . . . 51066 2 54 . 2 2 65 65 ASP N N 15 26.85 0.56 . . . . . . . 51066 2 55 . 2 2 66 66 LEU N N 15 27.29 0.8 . . . . . . . 51066 2 56 . 2 2 67 67 ASP N N 15 26.61 0.65 . . . . . . . 51066 2 57 . 2 2 68 68 THR N N 15 25.71 0.37 . . . . . . . 51066 2 58 . 2 2 69 69 ASN N N 15 24.98 0.27 . . . . . . . 51066 2 59 . 2 2 70 70 ALA N N 15 25.49 0.45 . . . . . . . 51066 2 60 . 2 2 71 71 ASP N N 15 26.6 0.83 . . . . . . . 51066 2 61 . 2 2 72 72 LYS N N 15 28.41 0.48 . . . . . . . 51066 2 62 . 2 2 73 73 GLN N N 15 25.48 0.52 . . . . . . . 51066 2 63 . 2 2 74 74 LEU N N 15 21.33 1.95 . . . . . . . 51066 2 64 . 2 2 75 75 SER N N 15 26.33 1.41 . . . . . . . 51066 2 65 . 2 2 76 76 PHE N N 15 29.59 1.01 . . . . . . . 51066 2 66 . 2 2 77 77 GLU N N 15 26.16 1.02 . . . . . . . 51066 2 67 . 2 2 78 78 GLU N N 15 28.08 0.51 . . . . . . . 51066 2 68 . 2 2 79 79 PHE N N 15 27.55 0.77 . . . . . . . 51066 2 69 . 2 2 80 80 ILE N N 15 28.87 0.55 . . . . . . . 51066 2 70 . 2 2 81 81 MET N N 15 36 0.96 . . . . . . . 51066 2 71 . 2 2 82 82 LEU N N 15 32.78 2.33 . . . . . . . 51066 2 72 . 2 2 83 83 MET N N 15 26.07 1.75 . . . . . . . 51066 2 73 . 2 2 84 84 ALA N N 15 44.13 3.02 . . . . . . . 51066 2 74 . 2 2 85 85 ARG N N 15 31.92 0.83 . . . . . . . 51066 2 75 . 2 2 86 86 LEU N N 15 27.73 0.52 . . . . . . . 51066 2 76 . 2 2 88 88 TRP N N 15 28.98 1.16 . . . . . . . 51066 2 77 . 2 2 89 89 ALA N N 15 33.01 1.21 . . . . . . . 51066 2 78 . 2 2 90 90 SER N N 15 24.92 1.15 . . . . . . . 51066 2 79 . 2 2 91 91 HIS N N 15 24.53 1.27 . . . . . . . 51066 2 80 . 2 2 92 92 GLU N N 15 32.79 0.91 . . . . . . . 51066 2 81 . 2 2 93 93 LYS N N 15 27.16 0.91 . . . . . . . 51066 2 82 . 2 2 94 94 MET N N 15 25.32 0.51 . . . . . . . 51066 2 83 . 2 2 95 95 HIS N N 15 24.6 1.02 . . . . . . . 51066 2 84 . 2 2 96 96 GLU N N 15 14.42 0.39 . . . . . . . 51066 2 85 . 2 2 97 97 GLY N N 15 11.2 0.24 . . . . . . . 51066 2 86 . 2 2 98 98 ASP N N 15 9.61 0.2 . . . . . . . 51066 2 87 . 2 2 99 99 GLU N N 15 7.33 0.14 . . . . . . . 51066 2 88 . 2 2 100 100 GLY N N 15 6.47 0.18 . . . . . . . 51066 2 89 . 2 2 102 102 GLY N N 15 5.17 0.3 . . . . . . . 51066 2 90 . 2 2 103 103 HIS N N 15 7.97 0.26 . . . . . . . 51066 2 91 . 2 2 104 104 HIS N N 15 6.63 0.4 . . . . . . . 51066 2 92 . 2 2 105 105 HIS N N 15 5.43 0.54 . . . . . . . 51066 2 93 . 2 2 108 108 GLY N N 15 5.76 0.21 . . . . . . . 51066 2 94 . 2 2 109 109 LEU N N 15 4.79 0.13 . . . . . . . 51066 2 95 . 2 2 110 110 GLY N N 15 5.55 0.21 . . . . . . . 51066 2 96 . 2 2 111 111 GLU N N 15 3.67 0.16 . . . . . . . 51066 2 97 . 2 2 112 112 GLY N N 15 3.83 0.25 . . . . . . . 51066 2 98 . 2 2 113 113 THR N N 15 2 0.18 . . . . . . . 51066 2 stop_ save_