######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 51066 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'T1/R1 in S100A8 in the presence of excess Ca(II) ions' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 900.1 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 19 'T1/R1 relaxation' . . . 51066 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 51066 1 2 $software_2 . . 51066 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 LEU N N 15 0.93 0.04 . . . . . 51066 1 2 . 1 1 3 3 THR N N 15 0.5 0.02 . . . . . 51066 1 3 . 1 1 4 4 GLU N N 15 0.53 0.01 . . . . . 51066 1 4 . 1 1 5 5 LEU N N 15 0.48 0.01 . . . . . 51066 1 5 . 1 1 6 6 GLU N N 15 0.47 0.01 . . . . . 51066 1 6 . 1 1 7 7 LYS N N 15 0.48 0.01 . . . . . 51066 1 7 . 1 1 8 8 ALA N N 15 0.5 0.01 . . . . . 51066 1 8 . 1 1 9 9 LEU N N 15 0.48 0.01 . . . . . 51066 1 9 . 1 1 10 10 ASN N N 15 0.47 0.02 . . . . . 51066 1 10 . 1 1 11 11 SER N N 15 0.47 0.02 . . . . . 51066 1 11 . 1 1 12 12 ILE N N 15 0.49 0.02 . . . . . 51066 1 12 . 1 1 13 13 ILE N N 15 0.49 0.01 . . . . . 51066 1 13 . 1 1 15 15 VAL N N 15 0.48 0.02 . . . . . 51066 1 14 . 1 1 16 16 TYR N N 15 0.49 0.02 . . . . . 51066 1 15 . 1 1 17 17 HIS N N 15 0.55 0.06 . . . . . 51066 1 16 . 1 1 22 22 ILE N N 15 0.64 0.04 . . . . . 51066 1 17 . 1 1 26 26 PHE N N 15 0.7 0.04 . . . . . 51066 1 18 . 1 1 28 28 ALA N N 15 0.46 0.06 . . . . . 51066 1 19 . 1 1 29 29 VAL N N 15 0.46 0.03 . . . . . 51066 1 20 . 1 1 30 30 TYR N N 15 0.49 0.03 . . . . . 51066 1 21 . 1 1 31 31 ARG N N 15 0.46 0.04 . . . . . 51066 1 22 . 1 1 32 32 ASP N N 15 0.55 0.03 . . . . . 51066 1 23 . 1 1 33 33 ASP N N 15 0.53 0.02 . . . . . 51066 1 24 . 1 1 34 34 LEU N N 15 0.52 0.02 . . . . . 51066 1 25 . 1 1 35 35 LYS N N 15 0.6 0.02 . . . . . 51066 1 26 . 1 1 40 40 THR N N 15 0.49 0.03 . . . . . 51066 1 27 . 1 1 53 53 VAL N N 15 0.51 0.02 . . . . . 51066 1 28 . 1 1 56 56 LYS N N 15 0.51 0.01 . . . . . 51066 1 29 . 1 1 57 57 GLU N N 15 0.51 0.01 . . . . . 51066 1 30 . 1 1 58 58 LEU N N 15 0.39 0.08 . . . . . 51066 1 31 . 1 1 59 59 ASP N N 15 0.46 0.02 . . . . . 51066 1 32 . 1 1 61 61 ASN N N 15 0.53 0.02 . . . . . 51066 1 33 . 1 1 62 62 THR N N 15 0.51 0.01 . . . . . 51066 1 34 . 1 1 63 63 ASP N N 15 0.47 0.02 . . . . . 51066 1 35 . 1 1 64 64 GLY N N 15 0.46 0.02 . . . . . 51066 1 36 . 1 1 65 65 ALA N N 15 0.52 0.01 . . . . . 51066 1 37 . 1 1 66 66 VAL N N 15 0.45 0.02 . . . . . 51066 1 38 . 1 1 67 67 ASN N N 15 0.52 0.03 . . . . . 51066 1 39 . 1 1 68 68 PHE N N 15 0.44 0.08 . . . . . 51066 1 40 . 1 1 69 69 GLN N N 15 0.49 0.01 . . . . . 51066 1 41 . 1 1 70 70 GLU N N 15 0.49 0.02 . . . . . 51066 1 42 . 1 1 71 71 PHE N N 15 0.49 0.02 . . . . . 51066 1 43 . 1 1 72 72 LEU N N 15 0.51 0.03 . . . . . 51066 1 44 . 1 1 73 73 ILE N N 15 0.49 0.01 . . . . . 51066 1 45 . 1 1 74 74 LEU N N 15 0.49 0.01 . . . . . 51066 1 46 . 1 1 75 75 VAL N N 15 0.49 0.01 . . . . . 51066 1 47 . 1 1 76 76 ILE N N 15 0.51 0.02 . . . . . 51066 1 48 . 1 1 80 80 VAL N N 15 0.5 0.01 . . . . . 51066 1 49 . 1 1 81 81 ALA N N 15 0.51 0.01 . . . . . 51066 1 50 . 1 1 82 82 ALA N N 15 0.47 0.02 . . . . . 51066 1 51 . 1 1 83 83 HIS N N 15 0.54 0.01 . . . . . 51066 1 52 . 1 1 84 84 LYS N N 15 0.53 0.02 . . . . . 51066 1 53 . 1 1 85 85 LYS N N 15 0.6 0.02 . . . . . 51066 1 54 . 1 1 86 86 SER N N 15 0.68 0.03 . . . . . 51066 1 55 . 1 1 87 87 HIS N N 15 0.67 0.05 . . . . . 51066 1 56 . 1 1 88 88 GLU N N 15 0.79 0.03 . . . . . 51066 1 57 . 1 1 89 89 GLU N N 15 1.01 0.05 . . . . . 51066 1 58 . 1 1 90 90 SER N N 15 1.03 0.06 . . . . . 51066 1 59 . 1 1 91 91 HIS N N 15 0.89 0.07 . . . . . 51066 1 60 . 1 1 92 92 LYS N N 15 0.93 0.05 . . . . . 51066 1 61 . 1 1 93 93 GLU N N 15 1.13 0.01 . . . . . 51066 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_2 _Heteronucl_T1_list.Entry_ID 51066 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Name 'T1/R1 in S100A9 in the presence of excess Ca(II) ions' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 900.1 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details ; Additional values: 108* G 1.1 0.11 112* G 0.9 0.08 113* T 1.03 0.05 ; _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 19 'T1/R1 relaxation' . . . 51066 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 51066 2 2 $software_2 . . 51066 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 2 2 4 4 LYS N N 15 0.84 0.08 . . . . . 51066 2 2 . 2 2 5 5 MET N N 15 0.79 0.05 . . . . . 51066 2 3 . 2 2 7 7 GLN N N 15 0.58 0.03 . . . . . 51066 2 4 . 2 2 8 8 LEU N N 15 0.46 0.04 . . . . . 51066 2 5 . 2 2 9 9 GLU N N 15 0.46 0.04 . . . . . 51066 2 6 . 2 2 10 10 ARG N N 15 0.47 0.03 . . . . . 51066 2 7 . 2 2 11 11 ASN N N 15 0.5 0.02 . . . . . 51066 2 8 . 2 2 12 12 ILE N N 15 0.52 0.03 . . . . . 51066 2 9 . 2 2 14 14 THR N N 15 0.49 0.02 . . . . . 51066 2 10 . 2 2 15 15 ILE N N 15 0.51 0.01 . . . . . 51066 2 11 . 2 2 17 17 ASN N N 15 0.5 0.02 . . . . . 51066 2 12 . 2 2 18 18 THR N N 15 0.48 0.02 . . . . . 51066 2 13 . 2 2 19 19 PHE N N 15 0.49 0.02 . . . . . 51066 2 14 . 2 2 20 20 HIS N N 15 0.51 0.03 . . . . . 51066 2 15 . 2 2 21 21 GLN N N 15 0.52 0.02 . . . . . 51066 2 16 . 2 2 22 22 TYR N N 15 0.49 0.02 . . . . . 51066 2 17 . 2 2 23 23 SER N N 15 0.5 0.03 . . . . . 51066 2 18 . 2 2 24 24 VAL N N 15 0.55 0.02 . . . . . 51066 2 19 . 2 2 25 25 LYS N N 15 0.53 0.03 . . . . . 51066 2 20 . 2 2 26 26 LEU N N 15 0.46 0.03 . . . . . 51066 2 21 . 2 2 31 31 THR N N 15 0.49 0.03 . . . . . 51066 2 22 . 2 2 32 32 LEU N N 15 0.51 0.02 . . . . . 51066 2 23 . 2 2 33 33 ASN N N 15 0.5 0.05 . . . . . 51066 2 24 . 2 2 34 34 GLN N N 15 0.55 0.03 . . . . . 51066 2 25 . 2 2 35 35 GLY N N 15 0.56 0.03 . . . . . 51066 2 26 . 2 2 36 36 GLU N N 15 0.52 0.03 . . . . . 51066 2 27 . 2 2 37 37 PHE N N 15 0.5 0.03 . . . . . 51066 2 28 . 2 2 38 38 LYS N N 15 0.48 0.02 . . . . . 51066 2 29 . 2 2 39 39 GLU N N 15 0.53 0.02 . . . . . 51066 2 30 . 2 2 40 40 LEU N N 15 0.53 0.02 . . . . . 51066 2 31 . 2 2 41 41 VAL N N 15 0.49 0.02 . . . . . 51066 2 32 . 2 2 42 42 ARG N N 15 0.52 0.02 . . . . . 51066 2 33 . 2 2 43 43 LYS N N 15 0.55 0.02 . . . . . 51066 2 34 . 2 2 44 44 ASP N N 15 0.47 0.02 . . . . . 51066 2 35 . 2 2 45 45 LEU N N 15 0.47 0.02 . . . . . 51066 2 36 . 2 2 46 46 GLN N N 15 0.52 0.02 . . . . . 51066 2 37 . 2 2 47 47 ASN N N 15 0.53 0.02 . . . . . 51066 2 38 . 2 2 48 48 PHE N N 15 0.5 0.03 . . . . . 51066 2 39 . 2 2 49 49 LEU N N 15 0.51 0.01 . . . . . 51066 2 40 . 2 2 50 50 LYS N N 15 0.51 0.01 . . . . . 51066 2 41 . 2 2 51 51 LYS N N 15 0.57 0.01 . . . . . 51066 2 42 . 2 2 52 52 GLU N N 15 0.55 0.01 . . . . . 51066 2 43 . 2 2 53 53 ASN N N 15 0.54 0.02 . . . . . 51066 2 44 . 2 2 54 54 LYS N N 15 0.59 0.02 . . . . . 51066 2 45 . 2 2 55 55 ASN N N 15 0.53 0.03 . . . . . 51066 2 46 . 2 2 56 56 GLU N N 15 0.47 0.04 . . . . . 51066 2 47 . 2 2 57 57 LYS N N 15 0.56 0.02 . . . . . 51066 2 48 . 2 2 58 58 VAL N N 15 0.54 0.01 . . . . . 51066 2 49 . 2 2 59 59 ILE N N 15 0.53 0.01 . . . . . 51066 2 50 . 2 2 60 60 GLU N N 15 0.52 0.02 . . . . . 51066 2 51 . 2 2 61 61 HIS N N 15 0.53 0.01 . . . . . 51066 2 52 . 2 2 62 62 ILE N N 15 0.55 0.02 . . . . . 51066 2 53 . 2 2 63 63 MET N N 15 0.52 0.01 . . . . . 51066 2 54 . 2 2 64 64 GLU N N 15 0.52 0.02 . . . . . 51066 2 55 . 2 2 65 65 ASP N N 15 0.53 0.01 . . . . . 51066 2 56 . 2 2 66 66 LEU N N 15 0.5 0.02 . . . . . 51066 2 57 . 2 2 67 67 ASP N N 15 0.49 0.02 . . . . . 51066 2 58 . 2 2 68 68 THR N N 15 0.52 0.02 . . . . . 51066 2 59 . 2 2 69 69 ASN N N 15 0.57 0.03 . . . . . 51066 2 60 . 2 2 70 70 ALA N N 15 0.52 0.02 . . . . . 51066 2 61 . 2 2 71 71 ASP N N 15 0.49 0.02 . . . . . 51066 2 62 . 2 2 72 72 LYS N N 15 0.52 0.02 . . . . . 51066 2 63 . 2 2 73 73 GLN N N 15 0.54 0.02 . . . . . 51066 2 64 . 2 2 74 74 LEU N N 15 0.5 0.02 . . . . . 51066 2 65 . 2 2 75 75 SER N N 15 0.53 0.02 . . . . . 51066 2 66 . 2 2 76 76 PHE N N 15 0.53 0.05 . . . . . 51066 2 67 . 2 2 77 77 GLU N N 15 0.5 0.03 . . . . . 51066 2 68 . 2 2 78 78 GLU N N 15 0.5 0.03 . . . . . 51066 2 69 . 2 2 79 79 PHE N N 15 0.52 0.02 . . . . . 51066 2 70 . 2 2 80 80 ILE N N 15 0.53 0.01 . . . . . 51066 2 71 . 2 2 81 81 MET N N 15 0.56 0.01 . . . . . 51066 2 72 . 2 2 82 82 LEU N N 15 0.49 0.02 . . . . . 51066 2 73 . 2 2 83 83 MET N N 15 0.51 0.02 . . . . . 51066 2 74 . 2 2 84 84 ALA N N 15 0.6 0.03 . . . . . 51066 2 75 . 2 2 85 85 ARG N N 15 0.51 0.01 . . . . . 51066 2 76 . 2 2 86 86 LEU N N 15 0.56 0.01 . . . . . 51066 2 77 . 2 2 88 88 TRP N N 15 0.54 0.02 . . . . . 51066 2 78 . 2 2 89 89 ALA N N 15 0.53 0.01 . . . . . 51066 2 79 . 2 2 90 90 SER N N 15 0.54 0.02 . . . . . 51066 2 80 . 2 2 91 91 HIS N N 15 0.55 0.03 . . . . . 51066 2 81 . 2 2 92 92 GLU N N 15 0.57 0.03 . . . . . 51066 2 82 . 2 2 93 93 LYS N N 15 0.59 0.02 . . . . . 51066 2 83 . 2 2 94 94 MET N N 15 0.66 0.02 . . . . . 51066 2 84 . 2 2 95 95 HIS N N 15 0.6 0.04 . . . . . 51066 2 85 . 2 2 96 96 GLU N N 15 0.85 0.05 . . . . . 51066 2 86 . 2 2 97 97 GLY N N 15 0.97 0.06 . . . . . 51066 2 87 . 2 2 98 98 ASP N N 15 1.02 0.06 . . . . . 51066 2 88 . 2 2 99 99 GLU N N 15 1.09 0.04 . . . . . 51066 2 89 . 2 2 100 100 GLY N N 15 1.17 0.06 . . . . . 51066 2 90 . 2 2 102 102 GLY N N 15 0.98 0.06 . . . . . 51066 2 91 . 2 2 103 103 HIS N N 15 1.07 0.1 . . . . . 51066 2 92 . 2 2 104 104 HIS N N 15 1.09 0.07 . . . . . 51066 2 93 . 2 2 105 105 HIS N N 15 1.07 0.3 . . . . . 51066 2 94 . 2 2 108 108 GLY N N 15 1.11 0.07 . . . . . 51066 2 95 . 2 2 109 109 LEU N N 15 1.2 0.05 . . . . . 51066 2 96 . 2 2 110 110 GLY N N 15 1.04 0.07 . . . . . 51066 2 97 . 2 2 111 111 GLU N N 15 1.11 0.06 . . . . . 51066 2 98 . 2 2 112 112 GLY N N 15 0.94 0.07 . . . . . 51066 2 99 . 2 2 113 113 THR N N 15 0.93 0.06 . . . . . 51066 2 stop_ save_