######################################## # 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 53710 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name R2_800 _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' _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'relaxation rates, not times' _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 2 'T2/R2 relaxation' . . . 53710 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 . . 53710 1 2 $software_2 . . 53710 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 4 4 ARG N N 15 2.759 0.207 . . . . . . . 53710 1 2 . 1 1 5 5 LEU N N 15 3.374 0.229 . . . . . . . 53710 1 3 . 1 1 7 7 CYS N N 15 5.430 0.694 . . . . . . . 53710 1 4 . 1 1 8 8 GLN N N 15 4.982 0.614 . . . . . . . 53710 1 5 . 1 1 9 9 LEU N N 15 4.627 0.195 . . . . . . . 53710 1 6 . 1 1 10 10 ASP N N 15 4.909 0.150 . . . . . . . 53710 1 7 . 1 1 12 12 ALA N N 15 6.261 0.192 . . . . . . . 53710 1 8 . 1 1 13 13 ARG N N 15 6.309 0.244 . . . . . . . 53710 1 9 . 1 1 14 14 ASP N N 15 5.971 0.211 . . . . . . . 53710 1 10 . 1 1 15 15 VAL N N 15 6.226 0.186 . . . . . . . 53710 1 11 . 1 1 16 16 LEU N N 15 6.992 0.234 . . . . . . . 53710 1 12 . 1 1 17 17 CYS N N 15 7.728 0.363 . . . . . . . 53710 1 13 . 1 1 18 18 LEU N N 15 4.290 0.452 . . . . . . . 53710 1 14 . 1 1 19 19 ARG N N 15 6.690 0.268 . . . . . . . 53710 1 15 . 1 1 21 21 VAL N N 15 5.429 0.128 . . . . . . . 53710 1 16 . 1 1 22 22 GLY N N 15 5.258 0.189 . . . . . . . 53710 1 17 . 1 1 23 23 ALA N N 15 5.806 0.301 . . . . . . . 53710 1 18 . 1 1 24 24 GLU N N 15 5.246 0.143 . . . . . . . 53710 1 19 . 1 1 25 25 SER N N 15 5.268 0.202 . . . . . . . 53710 1 20 . 1 1 26 26 CYS N N 15 5.796 0.943 . . . . . . . 53710 1 21 . 1 1 27 27 GLY N N 15 4.746 0.379 . . . . . . . 53710 1 22 . 1 1 28 28 ARG N N 15 5.066 0.119 . . . . . . . 53710 1 23 . 1 1 30 30 PHE N N 15 5.781 0.249 . . . . . . . 53710 1 24 . 1 1 31 31 SER N N 15 5.818 0.536 . . . . . . . 53710 1 25 . 1 1 32 32 GLY N N 15 5.269 0.418 . . . . . . . 53710 1 26 . 1 1 33 33 SER N N 15 5.697 0.474 . . . . . . . 53710 1 27 . 1 1 34 34 LEU N N 15 4.850 0.115 . . . . . . . 53710 1 28 . 1 1 35 35 GLY N N 15 5.885 0.224 . . . . . . . 53710 1 29 . 1 1 36 36 THR N N 15 4.826 0.254 . . . . . . . 53710 1 30 . 1 1 37 37 LEU N N 15 4.517 0.212 . . . . . . . 53710 1 31 . 1 1 38 38 SER N N 15 5.377 0.143 . . . . . . . 53710 1 32 . 1 1 39 39 SER N N 15 4.713 0.241 . . . . . . . 53710 1 33 . 1 1 41 41 SER N N 15 4.960 0.224 . . . . . . . 53710 1 34 . 1 1 43 43 SER N N 15 5.692 0.181 . . . . . . . 53710 1 35 . 1 1 44 44 ALA N N 15 5.747 0.343 . . . . . . . 53710 1 36 . 1 1 45 45 VAL N N 15 6.654 0.431 . . . . . . . 53710 1 37 . 1 1 47 47 THR N N 15 5.890 0.145 . . . . . . . 53710 1 38 . 1 1 48 48 ASP N N 15 6.489 0.247 . . . . . . . 53710 1 39 . 1 1 49 49 HIS N N 15 5.326 0.214 . . . . . . . 53710 1 40 . 1 1 50 50 GLY N N 15 7.235 0.299 . . . . . . . 53710 1 41 . 1 1 51 51 ALA N N 15 6.693 0.261 . . . . . . . 53710 1 42 . 1 1 52 52 HIS N N 15 7.600 0.435 . . . . . . . 53710 1 43 . 1 1 53 53 LEU N N 15 7.764 0.385 . . . . . . . 53710 1 44 . 1 1 54 54 SER N N 15 7.147 0.309 . . . . . . . 53710 1 45 . 1 1 55 55 LEU N N 15 6.073 0.356 . . . . . . . 53710 1 46 . 1 1 56 56 ARG N N 15 6.521 0.322 . . . . . . . 53710 1 47 . 1 1 57 57 GLY N N 15 6.278 0.278 . . . . . . . 53710 1 48 . 1 1 58 58 LEU N N 15 6.251 0.297 . . . . . . . 53710 1 49 . 1 1 60 60 VAL N N 15 5.290 0.288 . . . . . . . 53710 1 50 . 1 1 61 61 CYS N N 15 5.155 0.523 . . . . . . . 53710 1 51 . 1 1 62 62 ALA N N 15 5.648 0.649 . . . . . . . 53710 1 52 . 1 1 63 63 PHE N N 15 5.957 0.572 . . . . . . . 53710 1 53 . 1 1 64 64 SER N N 15 6.547 0.677 . . . . . . . 53710 1 54 . 1 1 66 66 ALA N N 15 5.942 0.651 . . . . . . . 53710 1 55 . 1 1 67 67 GLY N N 15 4.394 0.310 . . . . . . . 53710 1 56 . 1 1 69 69 CYS N N 15 8.213 1.288 . . . . . . . 53710 1 57 . 1 1 70 70 ALA N N 15 6.334 0.425 . . . . . . . 53710 1 58 . 1 1 71 71 LEU N N 15 7.306 0.323 . . . . . . . 53710 1 59 . 1 1 72 72 ARG N N 15 6.355 0.637 . . . . . . . 53710 1 60 . 1 1 75 75 SER N N 15 7.575 0.431 . . . . . . . 53710 1 61 . 1 1 76 76 ALA N N 15 7.495 1.351 . . . . . . . 53710 1 62 . 1 1 77 77 ARG N N 15 8.041 0.801 . . . . . . . 53710 1 63 . 1 1 78 78 ARG N N 15 7.823 2.074 . . . . . . . 53710 1 64 . 1 1 79 79 MET N N 15 5.786 0.495 . . . . . . . 53710 1 65 . 1 1 80 80 GLU N N 15 6.861 1.009 . . . . . . . 53710 1 66 . 1 1 81 81 THR N N 15 8.824 1.024 . . . . . . . 53710 1 67 . 1 1 82 82 THR N N 15 6.646 0.611 . . . . . . . 53710 1 68 . 1 1 83 83 VAL N N 15 6.763 0.207 . . . . . . . 53710 1 69 . 1 1 84 84 ASN N N 15 5.505 0.516 . . . . . . . 53710 1 70 . 1 1 85 85 ALA N N 15 5.104 0.633 . . . . . . . 53710 1 71 . 1 1 86 86 HIS N N 15 5.743 0.169 . . . . . . . 53710 1 72 . 1 1 87 87 GLN N N 15 8.280 0.693 . . . . . . . 53710 1 73 . 1 1 88 88 ILE N N 15 5.877 0.118 . . . . . . . 53710 1 74 . 1 1 89 89 LEU N N 15 5.916 0.364 . . . . . . . 53710 1 75 . 1 1 91 91 LYS N N 15 8.428 0.425 . . . . . . . 53710 1 76 . 1 1 92 92 VAL N N 15 4.988 0.241 . . . . . . . 53710 1 77 . 1 1 93 93 LEU N N 15 8.750 1.075 . . . . . . . 53710 1 78 . 1 1 94 94 HIS N N 15 5.584 0.726 . . . . . . . 53710 1 79 . 1 1 95 95 LYS N N 15 10.193 0.621 . . . . . . . 53710 1 80 . 1 1 97 97 THR N N 15 8.264 0.585 . . . . . . . 53710 1 81 . 1 1 98 98 LEU N N 15 5.870 0.208 . . . . . . . 53710 1 82 . 1 1 100 100 LEU N N 15 6.796 0.327 . . . . . . . 53710 1 83 . 1 1 101 101 SER N N 15 6.613 0.732 . . . . . . . 53710 1 84 . 1 1 102 102 ALA N N 15 8.327 0.583 . . . . . . . 53710 1 85 . 1 1 103 103 MET N N 15 8.352 0.791 . . . . . . . 53710 1 86 . 1 1 105 105 THR N N 15 8.968 1.122 . . . . . . . 53710 1 87 . 1 1 106 106 THR N N 15 9.162 0.486 . . . . . . . 53710 1 88 . 1 1 107 107 ASP N N 15 7.885 0.411 . . . . . . . 53710 1 89 . 1 1 109 109 GLU N N 15 9.443 0.494 . . . . . . . 53710 1 90 . 1 1 110 110 ALA N N 15 10.741 1.212 . . . . . . . 53710 1 91 . 1 1 111 111 TYR N N 15 6.336 0.285 . . . . . . . 53710 1 92 . 1 1 112 112 PHE N N 15 9.982 0.488 . . . . . . . 53710 1 93 . 1 1 113 113 LYS N N 15 9.985 0.429 . . . . . . . 53710 1 94 . 1 1 114 114 ASP N N 15 9.884 0.941 . . . . . . . 53710 1 95 . 1 1 115 115 CYS N N 15 9.977 0.506 . . . . . . . 53710 1 96 . 1 1 116 116 LEU N N 15 7.848 0.480 . . . . . . . 53710 1 97 . 1 1 117 117 PHE N N 15 7.905 0.373 . . . . . . . 53710 1 98 . 1 1 118 118 LYS N N 15 6.642 0.457 . . . . . . . 53710 1 99 . 1 1 119 119 ASP N N 15 5.518 0.231 . . . . . . . 53710 1 100 . 1 1 120 120 TRP N N 15 4.517 0.185 . . . . . . . 53710 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 53710 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Name R2_1200 _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' _Heteronucl_T2_list.Spectrometer_frequency_1H 1200 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'relaxation rates, not times' _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 5 'T2/R2 relaxation' . . . 53710 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 . . 53710 2 2 $software_2 . . 53710 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 4 4 ARG N N 15 4.712 0.389 . . . . . . . 53710 2 2 . 1 1 5 5 LEU N N 15 5.742 0.310 . . . . . . . 53710 2 3 . 1 1 7 7 CYS N N 15 10.950 0.622 . . . . . . . 53710 2 4 . 1 1 8 8 GLN N N 15 7.176 0.736 . . . . . . . 53710 2 5 . 1 1 9 9 LEU N N 15 7.098 0.423 . . . . . . . 53710 2 6 . 1 1 10 10 ASP N N 15 7.633 0.350 . . . . . . . 53710 2 7 . 1 1 12 12 ALA N N 15 8.987 0.267 . . . . . . . 53710 2 8 . 1 1 13 13 ARG N N 15 9.261 0.544 . . . . . . . 53710 2 9 . 1 1 14 14 ASP N N 15 8.128 0.455 . . . . . . . 53710 2 10 . 1 1 15 15 VAL N N 15 8.800 0.284 . . . . . . . 53710 2 11 . 1 1 16 16 LEU N N 15 10.496 0.368 . . . . . . . 53710 2 12 . 1 1 17 17 CYS N N 15 11.275 0.513 . . . . . . . 53710 2 13 . 1 1 18 18 LEU N N 15 7.274 0.933 . . . . . . . 53710 2 14 . 1 1 19 19 ARG N N 15 9.814 0.367 . . . . . . . 53710 2 15 . 1 1 21 21 VAL N N 15 8.016 0.309 . . . . . . . 53710 2 16 . 1 1 22 22 GLY N N 15 8.573 0.314 . . . . . . . 53710 2 17 . 1 1 23 23 ALA N N 15 7.737 0.421 . . . . . . . 53710 2 18 . 1 1 24 24 GLU N N 15 7.526 0.495 . . . . . . . 53710 2 19 . 1 1 25 25 SER N N 15 7.430 0.658 . . . . . . . 53710 2 20 . 1 1 26 26 CYS N N 15 9.297 1.224 . . . . . . . 53710 2 21 . 1 1 27 27 GLY N N 15 6.964 0.381 . . . . . . . 53710 2 22 . 1 1 28 28 ARG N N 15 7.431 0.138 . . . . . . . 53710 2 23 . 1 1 30 30 PHE N N 15 8.875 0.577 . . . . . . . 53710 2 24 . 1 1 31 31 SER N N 15 10.902 1.063 . . . . . . . 53710 2 25 . 1 1 32 32 GLY N N 15 7.917 0.965 . . . . . . . 53710 2 26 . 1 1 33 33 SER N N 15 7.449 0.399 . . . . . . . 53710 2 27 . 1 1 34 34 LEU N N 15 7.511 0.412 . . . . . . . 53710 2 28 . 1 1 35 35 GLY N N 15 7.932 0.446 . . . . . . . 53710 2 29 . 1 1 36 36 THR N N 15 7.190 0.268 . . . . . . . 53710 2 30 . 1 1 37 37 LEU N N 15 7.270 0.264 . . . . . . . 53710 2 31 . 1 1 38 38 SER N N 15 7.329 0.417 . . . . . . . 53710 2 32 . 1 1 39 39 SER N N 15 7.281 0.463 . . . . . . . 53710 2 33 . 1 1 41 41 SER N N 15 7.191 0.412 . . . . . . . 53710 2 34 . 1 1 43 43 SER N N 15 5.560 0.808 . . . . . . . 53710 2 35 . 1 1 44 44 ALA N N 15 8.455 0.441 . . . . . . . 53710 2 36 . 1 1 45 45 VAL N N 15 12.118 0.620 . . . . . . . 53710 2 37 . 1 1 47 47 THR N N 15 8.431 0.495 . . . . . . . 53710 2 38 . 1 1 48 48 ASP N N 15 8.512 0.468 . . . . . . . 53710 2 39 . 1 1 49 49 HIS N N 15 6.286 0.816 . . . . . . . 53710 2 40 . 1 1 50 50 GLY N N 15 11.117 0.812 . . . . . . . 53710 2 41 . 1 1 51 51 ALA N N 15 9.732 0.715 . . . . . . . 53710 2 42 . 1 1 52 52 HIS N N 15 9.285 0.811 . . . . . . . 53710 2 43 . 1 1 53 53 LEU N N 15 10.577 0.564 . . . . . . . 53710 2 44 . 1 1 54 54 SER N N 15 8.863 0.482 . . . . . . . 53710 2 45 . 1 1 55 55 LEU N N 15 8.852 0.888 . . . . . . . 53710 2 46 . 1 1 56 56 ARG N N 15 9.686 0.405 . . . . . . . 53710 2 47 . 1 1 57 57 GLY N N 15 9.081 0.506 . . . . . . . 53710 2 48 . 1 1 58 58 LEU N N 15 8.261 0.405 . . . . . . . 53710 2 49 . 1 1 60 60 VAL N N 15 7.823 0.215 . . . . . . . 53710 2 50 . 1 1 61 61 CYS N N 15 5.842 0.506 . . . . . . . 53710 2 51 . 1 1 62 62 ALA N N 15 12.042 1.157 . . . . . . . 53710 2 52 . 1 1 63 63 PHE N N 15 12.752 1.261 . . . . . . . 53710 2 53 . 1 1 64 64 SER N N 15 8.027 0.619 . . . . . . . 53710 2 54 . 1 1 66 66 ALA N N 15 8.475 0.685 . . . . . . . 53710 2 55 . 1 1 67 67 GLY N N 15 5.545 0.308 . . . . . . . 53710 2 56 . 1 1 69 69 CYS N N 15 6.660 0.718 . . . . . . . 53710 2 57 . 1 1 70 70 ALA N N 15 7.662 0.856 . . . . . . . 53710 2 58 . 1 1 71 71 LEU N N 15 10.262 0.709 . . . . . . . 53710 2 59 . 1 1 72 72 ARG N N 15 9.984 1.330 . . . . . . . 53710 2 60 . 1 1 73 73 PHE N N 15 7.980 0.947 . . . . . . . 53710 2 61 . 1 1 74 74 THR N N 15 11.244 1.717 . . . . . . . 53710 2 62 . 1 1 75 75 SER N N 15 9.067 0.868 . . . . . . . 53710 2 63 . 1 1 76 76 ALA N N 15 9.781 0.900 . . . . . . . 53710 2 64 . 1 1 77 77 ARG N N 15 11.275 0.513 . . . . . . . 53710 2 65 . 1 1 78 78 ARG N N 15 9.814 0.367 . . . . . . . 53710 2 66 . 1 1 79 79 MET N N 15 10.796 0.907 . . . . . . . 53710 2 67 . 1 1 80 80 GLU N N 15 11.610 1.489 . . . . . . . 53710 2 68 . 1 1 81 81 THR N N 15 12.596 1.174 . . . . . . . 53710 2 69 . 1 1 82 82 THR N N 15 9.030 1.108 . . . . . . . 53710 2 70 . 1 1 83 83 VAL N N 15 9.632 0.507 . . . . . . . 53710 2 71 . 1 1 84 84 ASN N N 15 8.162 0.509 . . . . . . . 53710 2 72 . 1 1 85 85 ALA N N 15 6.181 0.644 . . . . . . . 53710 2 73 . 1 1 86 86 HIS N N 15 9.154 0.579 . . . . . . . 53710 2 74 . 1 1 87 87 GLN N N 15 11.680 0.843 . . . . . . . 53710 2 75 . 1 1 88 88 ILE N N 15 8.479 0.227 . . . . . . . 53710 2 76 . 1 1 89 89 LEU N N 15 9.213 0.539 . . . . . . . 53710 2 77 . 1 1 91 91 LYS N N 15 12.960 1.092 . . . . . . . 53710 2 78 . 1 1 92 92 VAL N N 15 5.854 0.345 . . . . . . . 53710 2 79 . 1 1 93 93 LEU N N 15 15.197 1.856 . . . . . . . 53710 2 80 . 1 1 94 94 HIS N N 15 8.890 0.397 . . . . . . . 53710 2 81 . 1 1 95 95 LYS N N 15 14.252 1.118 . . . . . . . 53710 2 82 . 1 1 96 96 ARG N N 15 4.850 0.413 . . . . . . . 53710 2 83 . 1 1 97 97 THR N N 15 11.824 1.306 . . . . . . . 53710 2 84 . 1 1 98 98 LEU N N 15 9.364 0.472 . . . . . . . 53710 2 85 . 1 1 99 99 GLY N N 15 8.637 0.988 . . . . . . . 53710 2 86 . 1 1 100 100 LEU N N 15 9.457 0.601 . . . . . . . 53710 2 87 . 1 1 101 101 SER N N 15 7.509 0.417 . . . . . . . 53710 2 88 . 1 1 102 102 ALA N N 15 14.422 2.315 . . . . . . . 53710 2 89 . 1 1 103 103 MET N N 15 10.373 0.600 . . . . . . . 53710 2 90 . 1 1 104 104 SER N N 15 12.935 4.104 . . . . . . . 53710 2 91 . 1 1 105 105 THR N N 15 11.578 1.509 . . . . . . . 53710 2 92 . 1 1 106 106 THR N N 15 14.048 1.328 . . . . . . . 53710 2 93 . 1 1 107 107 ASP N N 15 14.730 1.822 . . . . . . . 53710 2 94 . 1 1 108 108 LEU N N 15 13.721 2.415 . . . . . . . 53710 2 95 . 1 1 109 109 GLU N N 15 15.533 0.722 . . . . . . . 53710 2 96 . 1 1 110 110 ALA N N 15 17.701 1.875 . . . . . . . 53710 2 97 . 1 1 111 111 TYR N N 15 12.785 1.365 . . . . . . . 53710 2 98 . 1 1 112 112 PHE N N 15 16.651 0.875 . . . . . . . 53710 2 99 . 1 1 113 113 LYS N N 15 21.402 1.869 . . . . . . . 53710 2 100 . 1 1 114 114 ASP N N 15 16.162 0.779 . . . . . . . 53710 2 101 . 1 1 115 115 CYS N N 15 16.626 1.707 . . . . . . . 53710 2 102 . 1 1 116 116 LEU N N 15 12.511 1.455 . . . . . . . 53710 2 103 . 1 1 117 117 PHE N N 15 13.378 0.857 . . . . . . . 53710 2 104 . 1 1 118 118 LYS N N 15 11.031 0.625 . . . . . . . 53710 2 105 . 1 1 119 119 ASP N N 15 8.129 0.478 . . . . . . . 53710 2 106 . 1 1 120 120 TRP N N 15 7.481 0.135 . . . . . . . 53710 2 stop_ save_