############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_hetNOE_b2m _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_b2m _Heteronucl_NOE_list.Entry_ID 26713 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.18 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 9 '600.18 MHz steady-state NOE' 1 $sample_1 . 26713 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26713 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 2 2 3 3 GLN N N 15 . 2 2 3 3 GLN H H 1 0.417891849392 0.0861818420886 . . . . . . . . . . 26713 1 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.199121137248 0.0871049585429 . . . . . . . . . . 26713 1 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.967533199331 0.120081299848 . . . . . . . . . . 26713 1 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.758576458374 0.0885928012164 . . . . . . . . . . 26713 1 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.906792951046 0.104877975996 . . . . . . . . . . 26713 1 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.791800830793 0.0673424544149 . . . . . . . . . . 26713 1 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.524720125224 0.0643336854395 . . . . . . . . . . 26713 1 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.665187658712 0.116622709007 . . . . . . . . . . 26713 1 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.780856226557 0.0418603942948 . . . . . . . . . . 26713 1 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.756140602471 0.0776401120014 . . . . . . . . . . 26713 1 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 1.03506915149 0.137002488115 . . . . . . . . . . 26713 1 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 1.06145160501 0.103591473456 . . . . . . . . . . 26713 1 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.835731890112 0.127554932158 . . . . . . . . . . 26713 1 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.936279802113 0.108449679355 . . . . . . . . . . 26713 1 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.744289561833 0.0943868649762 . . . . . . . . . . 26713 1 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.693294006501 0.0656381543158 . . . . . . . . . . 26713 1 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 0.90717950197 0.186137957878 . . . . . . . . . . 26713 1 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.773555228184 0.0437949234683 . . . . . . . . . . 26713 1 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.836057221902 0.0961745123317 . . . . . . . . . . 26713 1 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.745287069135 0.0722627043806 . . . . . . . . . . 26713 1 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.801869033563 0.0917892254978 . . . . . . . . . . 26713 1 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.814859397257 0.0921051913799 . . . . . . . . . . 26713 1 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.693721574516 0.0563792763692 . . . . . . . . . . 26713 1 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.738938232742 0.0714083569561 . . . . . . . . . . 26713 1 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.719066210165 0.0370504963528 . . . . . . . . . . 26713 1 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.697880707288 0.07864654506 . . . . . . . . . . 26713 1 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.87184842067 0.0924642751373 . . . . . . . . . . 26713 1 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.653139039196 0.0654259413896 . . . . . . . . . . 26713 1 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.362597560458 0.0501211996479 . . . . . . . . . . 26713 1 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.506910031138 0.0636826088716 . . . . . . . . . . 26713 1 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.75847176434 0.048467753013 . . . . . . . . . . 26713 1 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.891567877913 0.124172425354 . . . . . . . . . . 26713 1 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 0.805645201674 0.141009297376 . . . . . . . . . . 26713 1 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 1.01887156234 0.115137635787 . . . . . . . . . . 26713 1 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.863554393322 0.103905098558 . . . . . . . . . . 26713 1 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 0.665358437339 0.0574869317508 . . . . . . . . . . 26713 1 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.77065411059 0.0944506504185 . . . . . . . . . . 26713 1 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.863430927365 0.0933031985525 . . . . . . . . . . 26713 1 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.6959140299 0.0818233989567 . . . . . . . . . . 26713 1 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.816532453504 0.0769786553136 . . . . . . . . . . 26713 1 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.867993862952 0.0773272113742 . . . . . . . . . . 26713 1 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.584052681134 0.0965654437793 . . . . . . . . . . 26713 1 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.891659701199 0.0909843736303 . . . . . . . . . . 26713 1 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.757298124483 0.0970425479962 . . . . . . . . . . 26713 1 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.852683612252 0.121988714049 . . . . . . . . . . 26713 1 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 0.78359192852 0.110056830948 . . . . . . . . . . 26713 1 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.773240527962 0.0824146470887 . . . . . . . . . . 26713 1 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.899159705625 0.0981379888443 . . . . . . . . . . 26713 1 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.748491639926 0.0552357564217 . . . . . . . . . . 26713 1 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.774311866427 0.0891430397718 . . . . . . . . . . 26713 1 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.74747574441 0.0942283891529 . . . . . . . . . . 26713 1 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.754999852026 0.0643258525382 . . . . . . . . . . 26713 1 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 1.00095878259 0.424692793035 . . . . . . . . . . 26713 1 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.588017923452 0.0711075980417 . . . . . . . . . . 26713 1 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.766860582119 0.0424776178961 . . . . . . . . . . 26713 1 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.820983616537 0.0751272165027 . . . . . . . . . . 26713 1 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.856078326557 0.0743529490936 . . . . . . . . . . 26713 1 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 0.869772254419 0.0780074535486 . . . . . . . . . . 26713 1 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.803835961222 0.0912361109932 . . . . . . . . . . 26713 1 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.768456279779 0.076797965026 . . . . . . . . . . 26713 1 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.827308198801 0.0534495886199 . . . . . . . . . . 26713 1 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.985556872558 0.0965183348169 . . . . . . . . . . 26713 1 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.950224692811 0.111755009673 . . . . . . . . . . 26713 1 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.813954958038 0.0516664809906 . . . . . . . . . . 26713 1 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.711057325035 0.0292495290389 . . . . . . . . . . 26713 1 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.907561448916 0.0847994107899 . . . . . . . . . . 26713 1 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.734302310415 0.0445661644136 . . . . . . . . . . 26713 1 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.87796743508 0.078366011088 . . . . . . . . . . 26713 1 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.64351994491 0.0521552082665 . . . . . . . . . . 26713 1 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.938320604703 0.128350072156 . . . . . . . . . . 26713 1 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.653332813363 0.0660646974022 . . . . . . . . . . 26713 1 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.734743296374 0.078148590187 . . . . . . . . . . 26713 1 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.923659893029 0.170089330143 . . . . . . . . . . 26713 1 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.786679265825 0.0613592932025 . . . . . . . . . . 26713 1 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.669450797283 0.0500426882059 . . . . . . . . . . 26713 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_750.46_MHz_hetNOE_b2m _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_b2m _Heteronucl_NOE_list.Entry_ID 26713 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750.46 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26713 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26713 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 2 2 3 3 GLN N N 15 . 2 2 3 3 GLN H H 1 0.481411187683 0.0538286239491 . . . . . . . . . . 26713 2 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.718093647326 0.0667716948984 . . . . . . . . . . 26713 2 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.836223779135 0.0638608038975 . . . . . . . . . . 26713 2 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.712129103 0.0596921622121 . . . . . . . . . . 26713 2 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.730213416677 0.0569737576743 . . . . . . . . . . 26713 2 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.822432658081 0.045489544647 . . . . . . . . . . 26713 2 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.775515307449 0.0577979099416 . . . . . . . . . . 26713 2 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.75825307111 0.0707374296164 . . . . . . . . . . 26713 2 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.778670775893 0.0296316160442 . . . . . . . . . . 26713 2 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.677727497878 0.0558265809744 . . . . . . . . . . 26713 2 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.845286280558 0.0641052128572 . . . . . . . . . . 26713 2 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 0.771771553932 0.052368906007 . . . . . . . . . . 26713 2 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.761406956974 0.0766087557308 . . . . . . . . . . 26713 2 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.803522969974 0.0623672008587 . . . . . . . . . . 26713 2 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.888372973703 0.0611875333122 . . . . . . . . . . 26713 2 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.75897102421 0.0396612357675 . . . . . . . . . . 26713 2 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 0.907609704179 0.116778526849 . . . . . . . . . . 26713 2 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.684230250503 0.0264071321622 . . . . . . . . . . 26713 2 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.76898858904 0.0565210748802 . . . . . . . . . . 26713 2 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.844149823635 0.0480343779637 . . . . . . . . . . 26713 2 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.861944042791 0.0643418970866 . . . . . . . . . . 26713 2 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.811873398024 0.054320195955 . . . . . . . . . . 26713 2 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.866366283515 0.0470930262506 . . . . . . . . . . 26713 2 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.67607261257 0.0468737964033 . . . . . . . . . . 26713 2 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.757406494642 0.0253466954357 . . . . . . . . . . 26713 2 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.849121034494 0.065737462998 . . . . . . . . . . 26713 2 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.63156114215 0.0515623945416 . . . . . . . . . . 26713 2 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.60513489822 0.0410273816493 . . . . . . . . . . 26713 2 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.521131892785 0.0350859409588 . . . . . . . . . . 26713 2 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.545887296103 0.0429549697312 . . . . . . . . . . 26713 2 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.71647782895 0.0318247113925 . . . . . . . . . . 26713 2 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.802668826664 0.0780059662757 . . . . . . . . . . 26713 2 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 0.712992177979 0.0952507226748 . . . . . . . . . . 26713 2 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 0.785737240545 0.0733252022959 . . . . . . . . . . 26713 2 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.87183816497 0.059947126158 . . . . . . . . . . 26713 2 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 0.81622977112 0.0443847645172 . . . . . . . . . . 26713 2 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.742716172965 0.0625377018432 . . . . . . . . . . 26713 2 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.688455202512 0.0494834701241 . . . . . . . . . . 26713 2 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.793388805321 0.0508569082862 . . . . . . . . . . 26713 2 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.803745328828 0.0579599988496 . . . . . . . . . . 26713 2 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.827761039893 0.0494714088188 . . . . . . . . . . 26713 2 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.979933165622 0.0789099261062 . . . . . . . . . . 26713 2 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.924299313382 0.0623683047543 . . . . . . . . . . 26713 2 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.807826710282 0.0566487936542 . . . . . . . . . . 26713 2 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.810839740869 0.0703145360781 . . . . . . . . . . 26713 2 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 0.823511101627 0.0736750868071 . . . . . . . . . . 26713 2 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.832165318307 0.0507326520271 . . . . . . . . . . 26713 2 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.910611922932 0.0621225984657 . . . . . . . . . . 26713 2 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.649095906496 0.0381711313127 . . . . . . . . . . 26713 2 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.708704274223 0.0491813579998 . . . . . . . . . . 26713 2 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.75831873206 0.0540374124254 . . . . . . . . . . 26713 2 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.734046703672 0.0399574907183 . . . . . . . . . . 26713 2 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 0.804427465532 0.23583555459 . . . . . . . . . . 26713 2 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.537830179132 0.0409009115663 . . . . . . . . . . 26713 2 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.809106907184 0.0292178672708 . . . . . . . . . . 26713 2 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.727274076137 0.0472403889158 . . . . . . . . . . 26713 2 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.751376883138 0.0415146645471 . . . . . . . . . . 26713 2 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 0.800228476622 0.0492974538952 . . . . . . . . . . 26713 2 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.779053826396 0.0583604498072 . . . . . . . . . . 26713 2 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.833790310914 0.0522835409278 . . . . . . . . . . 26713 2 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.815705704871 0.0314107445399 . . . . . . . . . . 26713 2 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.834811153935 0.0528439837577 . . . . . . . . . . 26713 2 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.777042710518 0.0553209625763 . . . . . . . . . . 26713 2 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.758048016052 0.0327697539328 . . . . . . . . . . 26713 2 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.6562119657 0.018470328267 . . . . . . . . . . 26713 2 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.567701298166 0.0426495370468 . . . . . . . . . . 26713 2 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.654078420035 0.0294753912101 . . . . . . . . . . 26713 2 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.793600469147 0.055087411338 . . . . . . . . . . 26713 2 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.807653006198 0.0445257906446 . . . . . . . . . . 26713 2 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.731073539109 0.0595484540162 . . . . . . . . . . 26713 2 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.765130288935 0.0552075448511 . . . . . . . . . . 26713 2 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.671229388357 0.0471240284068 . . . . . . . . . . 26713 2 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.886642715967 0.0948230876809 . . . . . . . . . . 26713 2 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.693736488515 0.0346094224091 . . . . . . . . . . 26713 2 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.695962510138 0.0353563157185 . . . . . . . . . . 26713 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_hetNOE_top _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_top _Heteronucl_NOE_list.Entry_ID 26713 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.18 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '600.18 MHz steady-state NOE' 1 $sample_1 . 26713 3 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26713 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 17 17 SER N N 15 . 1 1 17 17 SER H H 1 0.451183166161 0.0503581806598 . . . . . . . . . . 26713 3 2 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.829787788123 0.0594195547095 . . . . . . . . . . 26713 3 3 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 0.774804538831 0.0824193181779 . . . . . . . . . . 26713 3 4 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.938260844384 0.110129282137 . . . . . . . . . . 26713 3 5 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.922054052708 0.0881447750496 . . . . . . . . . . 26713 3 6 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.865447799866 0.0648704377181 . . . . . . . . . . 26713 3 7 . 1 1 26 26 SER N N 15 . 1 1 26 26 SER H H 1 0.841184191255 0.0772910176846 . . . . . . . . . . 26713 3 8 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.836724782769 0.064308060746 . . . . . . . . . . 26713 3 9 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.815148281587 0.0820502436776 . . . . . . . . . . 26713 3 10 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.508332814627 0.129763812515 . . . . . . . . . . 26713 3 11 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.931884601334 0.0919832616648 . . . . . . . . . . 26713 3 12 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.619495692685 0.0640035071163 . . . . . . . . . . 26713 3 13 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.792461224452 0.057442848301 . . . . . . . . . . 26713 3 14 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.726412185234 0.0520008700356 . . . . . . . . . . 26713 3 15 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.867137011329 0.0758201919981 . . . . . . . . . . 26713 3 16 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.900798409428 0.0653133426542 . . . . . . . . . . 26713 3 17 . 1 1 42 42 TYR N N 15 . 1 1 42 42 TYR H H 1 0.804843034943 0.0421327625982 . . . . . . . . . . 26713 3 18 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.867792401489 0.0513274131235 . . . . . . . . . . 26713 3 19 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.832604761308 0.086790769273 . . . . . . . . . . 26713 3 20 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.823925916634 0.0705689025624 . . . . . . . . . . 26713 3 21 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.757231487259 0.0384620761418 . . . . . . . . . . 26713 3 22 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.774352370255 0.0749019267055 . . . . . . . . . . 26713 3 23 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.567692848284 0.0367915623434 . . . . . . . . . . 26713 3 24 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.838675091395 0.0434586169523 . . . . . . . . . . 26713 3 25 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.866264013071 0.0584007847439 . . . . . . . . . . 26713 3 26 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.769805725278 0.0657779126185 . . . . . . . . . . 26713 3 27 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.157224803251 0.0232489158557 . . . . . . . . . . 26713 3 28 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 -0.449214049005 0.034147555629 . . . . . . . . . . 26713 3 29 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.346682620202 0.0704009696107 . . . . . . . . . . 26713 3 30 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.864591579124 0.104749503276 . . . . . . . . . . 26713 3 31 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.83241240567 0.0801401665851 . . . . . . . . . . 26713 3 32 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.776369557666 0.0725033331863 . . . . . . . . . . 26713 3 33 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.800508714663 0.0779777822889 . . . . . . . . . . 26713 3 34 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.759679306497 0.0414398601686 . . . . . . . . . . 26713 3 35 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.77793743835 0.0606167190343 . . . . . . . . . . 26713 3 36 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.895786985913 0.0611290274434 . . . . . . . . . . 26713 3 37 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.835182827759 0.0172406621548 . . . . . . . . . . 26713 3 38 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.894679940119 0.07802225392 . . . . . . . . . . 26713 3 39 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.762789704081 0.0907106633313 . . . . . . . . . . 26713 3 40 . 1 1 86 86 ALA N N 15 . 1 1 86 86 ALA H H 1 0.812353151464 0.0807699558111 . . . . . . . . . . 26713 3 41 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.784226192729 0.089765909 . . . . . . . . . . 26713 3 42 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.848558952291 0.0806141920738 . . . . . . . . . . 26713 3 43 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.799180611183 0.0905518486737 . . . . . . . . . . 26713 3 44 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.327774599816 0.0307834284753 . . . . . . . . . . 26713 3 45 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.795922952623 0.0824375727839 . . . . . . . . . . 26713 3 46 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.779340966878 0.0529254264232 . . . . . . . . . . 26713 3 47 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.821442264953 0.0618805006295 . . . . . . . . . . 26713 3 48 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.776320141988 0.0483163709093 . . . . . . . . . . 26713 3 49 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 -0.00744734094652 0.15970307119 . . . . . . . . . . 26713 3 50 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.68300484393 0.0639639235263 . . . . . . . . . . 26713 3 51 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.615849340155 0.0548425713143 . . . . . . . . . . 26713 3 52 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.831680106173 0.0739593348421 . . . . . . . . . . 26713 3 53 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.828185112334 0.0784742834964 . . . . . . . . . . 26713 3 54 . 1 1 111 111 GLN N N 15 . 1 1 111 111 GLN H H 1 0.850068718782 0.0766662520585 . . . . . . . . . . 26713 3 55 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.818195026245 0.0888880369676 . . . . . . . . . . 26713 3 56 . 1 1 113 113 MET N N 15 . 1 1 113 113 MET H H 1 0.890126203109 0.118146446236 . . . . . . . . . . 26713 3 57 . 1 1 114 114 TYR N N 15 . 1 1 114 114 TYR H H 1 0.861138777158 0.0626467755415 . . . . . . . . . . 26713 3 58 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.788033806346 0.0727605832004 . . . . . . . . . . 26713 3 59 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.854004997495 0.105183229267 . . . . . . . . . . 26713 3 60 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.817530794688 0.0758808632803 . . . . . . . . . . 26713 3 61 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.870633520706 0.0582553857417 . . . . . . . . . . 26713 3 62 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.776630954879 0.0556087474551 . . . . . . . . . . 26713 3 63 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.637985542863 0.0543138399359 . . . . . . . . . . 26713 3 64 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.716746401322 0.0538455928449 . . . . . . . . . . 26713 3 65 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.776618424133 0.0959171220081 . . . . . . . . . . 26713 3 66 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.759780288154 0.0830829470573 . . . . . . . . . . 26713 3 67 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.736372303103 0.130648828075 . . . . . . . . . . 26713 3 68 . 1 1 131 131 HIS N N 15 . 1 1 131 131 HIS H H 1 0.75646570007 0.121731977415 . . . . . . . . . . 26713 3 69 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.649579106456 0.0591297303992 . . . . . . . . . . 26713 3 70 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.933829286008 0.0846303732804 . . . . . . . . . . 26713 3 71 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.881507060024 0.171213651187 . . . . . . . . . . 26713 3 72 . 1 1 138 138 TYR N N 15 . 1 1 138 138 TYR H H 1 0.651777545073 0.0828572478042 . . . . . . . . . . 26713 3 73 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.818927545197 0.0994131296684 . . . . . . . . . . 26713 3 74 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.889826561956 0.100157521762 . . . . . . . . . . 26713 3 75 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.888115572646 0.106122115599 . . . . . . . . . . 26713 3 76 . 1 1 142 142 ASN N N 15 . 1 1 142 142 ASN H H 1 0.77667107509 0.0524291835763 . . . . . . . . . . 26713 3 77 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.834084890116 0.0743440889173 . . . . . . . . . . 26713 3 78 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.795657506532 0.0536495258003 . . . . . . . . . . 26713 3 79 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.860902094989 0.0598670399976 . . . . . . . . . . 26713 3 80 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.808007348073 0.0764364713421 . . . . . . . . . . 26713 3 81 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.350232914736 0.10658686752 . . . . . . . . . . 26713 3 82 . 1 1 148 148 TRP N N 15 . 1 1 148 148 TRP H H 1 0.769093134308 0.0350283946133 . . . . . . . . . . 26713 3 83 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.821708137292 0.0434262084199 . . . . . . . . . . 26713 3 84 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.882372179968 0.0808464882751 . . . . . . . . . . 26713 3 85 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.444637039858 0.0375898445126 . . . . . . . . . . 26713 3 86 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.660192317424 0.0446507490923 . . . . . . . . . . 26713 3 87 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.760405685398 0.100185969549 . . . . . . . . . . 26713 3 88 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.724285875534 0.0578028627608 . . . . . . . . . . 26713 3 89 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.822033999447 0.056600785763 . . . . . . . . . . 26713 3 90 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.804978815459 0.0711785287082 . . . . . . . . . . 26713 3 91 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.755716417159 0.0756853681164 . . . . . . . . . . 26713 3 92 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.731735045234 0.0847505872446 . . . . . . . . . . 26713 3 93 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.828188432243 0.068494452428 . . . . . . . . . . 26713 3 94 . 1 1 162 162 TRP N N 15 . 1 1 162 162 TRP H H 1 1.06942465392 0.123516986073 . . . . . . . . . . 26713 3 95 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.942588383402 0.0780455662235 . . . . . . . . . . 26713 3 96 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.808590183741 0.0520747477919 . . . . . . . . . . 26713 3 97 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.772652815856 0.0487274141325 . . . . . . . . . . 26713 3 98 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.8092768018 0.0471615959538 . . . . . . . . . . 26713 3 99 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.720828151777 0.0731896739314 . . . . . . . . . . 26713 3 100 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.764895689555 0.03307958771 . . . . . . . . . . 26713 3 101 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.723939119862 0.0723490383327 . . . . . . . . . . 26713 3 102 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.773538989783 0.0580154242337 . . . . . . . . . . 26713 3 103 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.656483377488 0.0733647360889 . . . . . . . . . . 26713 3 104 . 1 1 179 179 CYS N N 15 . 1 1 179 179 CYS H H 1 0.757372741975 0.0849743950888 . . . . . . . . . . 26713 3 105 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.659154321403 0.072769098856 . . . . . . . . . . 26713 3 106 . 1 1 181 181 GLU N N 15 . 1 1 181 181 GLU H H 1 0.827389229302 0.0739117824763 . . . . . . . . . . 26713 3 107 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.80514585908 0.0704991261022 . . . . . . . . . . 26713 3 108 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.715866035338 0.0549178755147 . . . . . . . . . . 26713 3 109 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.700619785995 0.0607633783514 . . . . . . . . . . 26713 3 110 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.741342863602 0.0798676618636 . . . . . . . . . . 26713 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_750.46_MHz_hetNOE_top _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_top _Heteronucl_NOE_list.Entry_ID 26713 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750.46 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '750.46 MHz steady-state NOE' 1 $sample_1 . 26713 4 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26713 4 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 17 17 SER N N 15 . 1 1 17 17 SER H H 1 0.561726904361 0.0736208775692 . . . . . . . . . . 26713 4 2 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.817174009809 0.0609195961844 . . . . . . . . . . 26713 4 3 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 1.15798824793 0.14001196122 . . . . . . . . . . 26713 4 4 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.908156093242 0.142993005372 . . . . . . . . . . 26713 4 5 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.780669359158 0.108056225704 . . . . . . . . . . 26713 4 6 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 0.936283098282 0.0621994185612 . . . . . . . . . . 26713 4 7 . 1 1 26 26 SER N N 15 . 1 1 26 26 SER H H 1 0.942607705346 0.120107920871 . . . . . . . . . . 26713 4 8 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.832370910057 0.0607420074165 . . . . . . . . . . 26713 4 9 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.64381148612 0.0720995037584 . . . . . . . . . . 26713 4 10 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.128700122325 0.105341662639 . . . . . . . . . . 26713 4 11 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 1.03372135997 0.138427854479 . . . . . . . . . . 26713 4 12 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.686410179978 0.0591230685983 . . . . . . . . . . 26713 4 13 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.839210042384 0.0676965794516 . . . . . . . . . . 26713 4 14 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.797305673748 0.0574074235884 . . . . . . . . . . 26713 4 15 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.843374992986 0.0729700396623 . . . . . . . . . . 26713 4 16 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.899616398699 0.0652428015033 . . . . . . . . . . 26713 4 17 . 1 1 42 42 TYR N N 15 . 1 1 42 42 TYR H H 1 0.817054610115 0.0494835486529 . . . . . . . . . . 26713 4 18 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.793772623609 0.0510190396235 . . . . . . . . . . 26713 4 19 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.75595254139 0.0660737518209 . . . . . . . . . . 26713 4 20 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.721845595177 0.067220192755 . . . . . . . . . . 26713 4 21 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.72502320238 0.0450659656432 . . . . . . . . . . 26713 4 22 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.880219843421 0.114745074372 . . . . . . . . . . 26713 4 23 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.649468788081 0.0373860560942 . . . . . . . . . . 26713 4 24 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.832421490154 0.0477836828977 . . . . . . . . . . 26713 4 25 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.803575709266 0.0608321314319 . . . . . . . . . . 26713 4 26 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.888772876369 0.0784842628347 . . . . . . . . . . 26713 4 27 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.196680948458 0.0375401466927 . . . . . . . . . . 26713 4 28 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.324995407145 0.0587181812484 . . . . . . . . . . 26713 4 29 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.339453857666 0.0727350757089 . . . . . . . . . . 26713 4 30 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.557170729408 0.0752017447189 . . . . . . . . . . 26713 4 31 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.86870362135 0.084111860297 . . . . . . . . . . 26713 4 32 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.798487696414 0.07604461241 . . . . . . . . . . 26713 4 33 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.886031077446 0.106597326771 . . . . . . . . . . 26713 4 34 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.780270765594 0.046819745689 . . . . . . . . . . 26713 4 35 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.808110662102 0.0639002094325 . . . . . . . . . . 26713 4 36 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.727984810078 0.0525549245106 . . . . . . . . . . 26713 4 37 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.807040246054 0.0159324289835 . . . . . . . . . . 26713 4 38 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 1.41709763026 0.145213959164 . . . . . . . . . . 26713 4 39 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.804968712194 0.137393585508 . . . . . . . . . . 26713 4 40 . 1 1 86 86 ALA N N 15 . 1 1 86 86 ALA H H 1 0.826268154937 0.0849120234937 . . . . . . . . . . 26713 4 41 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.929452346744 0.121976041354 . . . . . . . . . . 26713 4 42 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.90403522283 0.077517228582 . . . . . . . . . . 26713 4 43 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.951163467436 0.111192991035 . . . . . . . . . . 26713 4 44 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.462709876175 0.0362962725186 . . . . . . . . . . 26713 4 45 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.741014402219 0.0921137453607 . . . . . . . . . . 26713 4 46 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.928656298909 0.0590935819147 . . . . . . . . . . 26713 4 47 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.801694426601 0.0607113497093 . . . . . . . . . . 26713 4 48 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.840001015101 0.0570570919734 . . . . . . . . . . 26713 4 49 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.210312991182 0.143230777737 . . . . . . . . . . 26713 4 50 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.724334795867 0.0951004389195 . . . . . . . . . . 26713 4 51 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.570540701344 0.053394047368 . . . . . . . . . . 26713 4 52 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.805783406383 0.0689489493558 . . . . . . . . . . 26713 4 53 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.82055272049 0.140396413165 . . . . . . . . . . 26713 4 54 . 1 1 111 111 GLN N N 15 . 1 1 111 111 GLN H H 1 0.762998791714 0.105122788761 . . . . . . . . . . 26713 4 55 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.686703045389 0.127304054478 . . . . . . . . . . 26713 4 56 . 1 1 113 113 MET N N 15 . 1 1 113 113 MET H H 1 1.11979463705 0.261404204934 . . . . . . . . . . 26713 4 57 . 1 1 114 114 TYR N N 15 . 1 1 114 114 TYR H H 1 0.867469312933 0.0739777594705 . . . . . . . . . . 26713 4 58 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.945521414985 0.138450474793 . . . . . . . . . . 26713 4 59 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.849819258113 0.111472393219 . . . . . . . . . . 26713 4 60 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.746910434807 0.0930951536594 . . . . . . . . . . 26713 4 61 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.789650830967 0.0527783881559 . . . . . . . . . . 26713 4 62 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.667248133987 0.0499961463901 . . . . . . . . . . 26713 4 63 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.750065168169 0.0573375016312 . . . . . . . . . . 26713 4 64 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.727083434595 0.0552409958377 . . . . . . . . . . 26713 4 65 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.709026513877 0.0757544536703 . . . . . . . . . . 26713 4 66 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.824442965761 0.107137417348 . . . . . . . . . . 26713 4 67 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.840606809237 0.196351348877 . . . . . . . . . . 26713 4 68 . 1 1 131 131 HIS N N 15 . 1 1 131 131 HIS H H 1 1.03303225818 0.372128070837 . . . . . . . . . . 26713 4 69 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.526433797904 0.0996758412682 . . . . . . . . . . 26713 4 70 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.862040538548 0.0958734192354 . . . . . . . . . . 26713 4 71 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.968605341507 0.242754406474 . . . . . . . . . . 26713 4 72 . 1 1 138 138 TYR N N 15 . 1 1 138 138 TYR H H 1 0.83868119726 0.0861254768796 . . . . . . . . . . 26713 4 73 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.762950172242 0.12167422937 . . . . . . . . . . 26713 4 74 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.701445727219 0.115076245263 . . . . . . . . . . 26713 4 75 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.800501771501 0.106476525145 . . . . . . . . . . 26713 4 76 . 1 1 142 142 ASN N N 15 . 1 1 142 142 ASN H H 1 0.744377432227 0.0610938571798 . . . . . . . . . . 26713 4 77 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.789804066046 0.0681587263633 . . . . . . . . . . 26713 4 78 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.795896780951 0.0495984758177 . . . . . . . . . . 26713 4 79 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.835460893674 0.0632543005672 . . . . . . . . . . 26713 4 80 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.688600836824 0.073815070461 . . . . . . . . . . 26713 4 81 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.238283344312 0.0989238695549 . . . . . . . . . . 26713 4 82 . 1 1 148 148 TRP N N 15 . 1 1 148 148 TRP H H 1 0.808238463735 0.0435366955186 . . . . . . . . . . 26713 4 83 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.711430128764 0.0422112704321 . . . . . . . . . . 26713 4 84 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.870223143754 0.0975370566947 . . . . . . . . . . 26713 4 85 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.702929823469 0.0670717302545 . . . . . . . . . . 26713 4 86 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.781917481016 0.050343118226 . . . . . . . . . . 26713 4 87 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.529475885113 0.0964495636686 . . . . . . . . . . 26713 4 88 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.721500971679 0.0507645101635 . . . . . . . . . . 26713 4 89 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.785270636303 0.0510494917321 . . . . . . . . . . 26713 4 90 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.717699859059 0.0553010177444 . . . . . . . . . . 26713 4 91 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.82380577423 0.0773237957588 . . . . . . . . . . 26713 4 92 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.789352515908 0.0733938615531 . . . . . . . . . . 26713 4 93 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.777981873477 0.0630228024544 . . . . . . . . . . 26713 4 94 . 1 1 162 162 TRP N N 15 . 1 1 162 162 TRP H H 1 0.688466775842 0.282784263843 . . . . . . . . . . 26713 4 95 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.808233647527 0.0714433232119 . . . . . . . . . . 26713 4 96 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.784717623858 0.0487919400392 . . . . . . . . . . 26713 4 97 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.830737970293 0.0535856147181 . . . . . . . . . . 26713 4 98 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.911226190509 0.0538228723308 . . . . . . . . . . 26713 4 99 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.827811381838 0.13694989206 . . . . . . . . . . 26713 4 100 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.662630880941 0.0341972312193 . . . . . . . . . . 26713 4 101 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.7625496808 0.090741844726 . . . . . . . . . . 26713 4 102 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.699272584287 0.0556165099026 . . . . . . . . . . 26713 4 103 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.908137092225 0.134475710286 . . . . . . . . . . 26713 4 104 . 1 1 179 179 CYS N N 15 . 1 1 179 179 CYS H H 1 0.753927612485 0.124356754542 . . . . . . . . . . 26713 4 105 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.749716171127 0.072981595564 . . . . . . . . . . 26713 4 106 . 1 1 181 181 GLU N N 15 . 1 1 181 181 GLU H H 1 0.842266848354 0.0771068919527 . . . . . . . . . . 26713 4 107 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.678070302005 0.0631460920429 . . . . . . . . . . 26713 4 108 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.77581273946 0.0599330789123 . . . . . . . . . . 26713 4 109 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.800553005253 0.0797287659532 . . . . . . . . . . 26713 4 110 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.60624526937 0.0948756461472 . . . . . . . . . . 26713 4 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_hetNOE_bottom _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_bottom _Heteronucl_NOE_list.Entry_ID 26713 _Heteronucl_NOE_list.ID 5 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.18 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '600.18 MHz steady-state NOE' 1 $sample_1 . 26713 5 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26713 5 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 201 201 LYS N N 15 . 1 1 201 201 LYS H H 1 0.751029920388 0.040469416958 . . . . . . . . . . 26713 5 2 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.754752000421 0.0498583148871 . . . . . . . . . . 26713 5 3 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.788934054514 0.0220041000355 . . . . . . . . . . 26713 5 4 . 1 1 207 207 HIS N N 15 . 1 1 207 207 HIS H H 1 . . . . . . . . . . . . 26713 5 5 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.667920840657 0.0245013151044 . . . . . . . . . . 26713 5 6 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.672834489651 0.0228278427584 . . . . . . . . . . 26713 5 7 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.723316930209 0.0711955294842 . . . . . . . . . . 26713 5 8 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.756054174055 0.0217636431637 . . . . . . . . . . 26713 5 9 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.791095441782 0.0167119176061 . . . . . . . . . . 26713 5 10 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.739071889833 0.0215777215188 . . . . . . . . . . 26713 5 11 . 1 1 216 216 LEU N N 15 . 1 1 216 216 LEU H H 1 0.830520064124 0.0187015741593 . . . . . . . . . . 26713 5 12 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.801105489645 0.0362149043628 . . . . . . . . . . 26713 5 13 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.795759162906 0.0382819777447 . . . . . . . . . . 26713 5 14 . 1 1 220 220 ALA N N 15 . 1 1 220 220 ALA H H 1 0.897841612547 0.0454270498804 . . . . . . . . . . 26713 5 15 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.671800318715 0.033344726371 . . . . . . . . . . 26713 5 16 . 1 1 223 223 PHE N N 15 . 1 1 223 223 PHE H H 1 0.74480320161 0.0284587862238 . . . . . . . . . . 26713 5 17 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.786222910651 0.0378623945282 . . . . . . . . . . 26713 5 18 . 1 1 229 229 THR N N 15 . 1 1 229 229 THR H H 1 0.591109753104 0.0334322922903 . . . . . . . . . . 26713 5 19 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.743089813981 0.0397457919544 . . . . . . . . . . 26713 5 20 . 1 1 232 232 TRP N N 15 . 1 1 232 232 TRP H H 1 0.711815228396 0.0278104506745 . . . . . . . . . . 26713 5 21 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.777294690957 0.0203372824478 . . . . . . . . . . 26713 5 22 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.697663819141 0.0178382059396 . . . . . . . . . . 26713 5 23 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.740980707808 0.020343723727 . . . . . . . . . . 26713 5 24 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.743027897962 0.0284851076945 . . . . . . . . . . 26713 5 25 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.699341786488 0.0154181853396 . . . . . . . . . . 26713 5 26 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.536406468101 0.0443313079625 . . . . . . . . . . 26713 5 27 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.608575525503 0.0439200895453 . . . . . . . . . . 26713 5 28 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.706417618503 0.039354907917 . . . . . . . . . . 26713 5 29 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.718580795886 0.0358819625612 . . . . . . . . . . 26713 5 30 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.581114234788 0.0402387937443 . . . . . . . . . . 26713 5 31 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.760900336197 0.0372981997993 . . . . . . . . . . 26713 5 32 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.820985193103 0.0532378706481 . . . . . . . . . . 26713 5 33 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.811159201149 0.0564389484194 . . . . . . . . . . 26713 5 34 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.811411989283 0.0759683249535 . . . . . . . . . . 26713 5 35 . 1 1 253 253 ASP N N 15 . 1 1 253 253 ASP H H 1 0.651737315062 0.070759814974 . . . . . . . . . . 26713 5 36 . 1 1 254 254 ARG N N 15 . 1 1 254 254 ARG H H 1 0.607588216612 0.0745108560595 . . . . . . . . . . 26713 5 37 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.582134259423 0.0621908551111 . . . . . . . . . . 26713 5 38 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.766843902011 0.0363906556113 . . . . . . . . . . 26713 5 39 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.768618766248 0.0492265597401 . . . . . . . . . . 26713 5 40 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.837054540325 0.0477210901185 . . . . . . . . . . 26713 5 41 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.777734316687 0.0176588979449 . . . . . . . . . . 26713 5 42 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.751700532453 0.0173853084902 . . . . . . . . . . 26713 5 43 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.760780311123 0.0237247677886 . . . . . . . . . . 26713 5 44 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.721344218078 0.02025182495 . . . . . . . . . . 26713 5 45 . 1 1 271 271 ARG N N 15 . 1 1 271 271 ARG H H 1 0.761150005964 0.0211619175365 . . . . . . . . . . 26713 5 46 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.749397730572 0.0207477229072 . . . . . . . . . . 26713 5 47 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.78447894742 0.0189524734352 . . . . . . . . . . 26713 5 48 . 1 1 274 274 CYS N N 15 . 1 1 274 274 CYS H H 1 0.811458817848 0.0238212583436 . . . . . . . . . . 26713 5 49 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.811975644241 0.0198248916505 . . . . . . . . . . 26713 5 50 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.798541293787 0.0249418727706 . . . . . . . . . . 26713 5 51 . 1 1 277 277 GLN N N 15 . 1 1 277 277 GLN H H 1 0.790566416491 0.0179603530479 . . . . . . . . . . 26713 5 52 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.68901268309 0.0369110363169 . . . . . . . . . . 26713 5 53 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.742809229099 0.0406047304517 . . . . . . . . . . 26713 5 54 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.818266111886 0.0691896941775 . . . . . . . . . . 26713 5 55 . 1 1 281 281 LEU N N 15 . 1 1 281 281 LEU H H 1 0.75136734435 0.0198828788204 . . . . . . . . . . 26713 5 56 . 1 1 285 285 LEU N N 15 . 1 1 285 285 LEU H H 1 . . . . . . . . . . . . 26713 5 57 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.768085964765 0.0158172026822 . . . . . . . . . . 26713 5 58 . 1 1 288 288 ARG N N 15 . 1 1 288 288 ARG H H 1 0.71695016403 0.0135901806401 . . . . . . . . . . 26713 5 59 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.648345179863 0.0151323854 . . . . . . . . . . 26713 5 60 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.306772343768 0.0104335582107 . . . . . . . . . . 26713 5 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_750.46_MHz_hetNOE_bottom _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_bottom _Heteronucl_NOE_list.Entry_ID 26713 _Heteronucl_NOE_list.ID 6 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750.46 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '750.46 MHz steady-state NOE' 1 $sample_1 . 26713 6 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26713 6 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 201 201 LYS N N 15 . 1 1 201 201 LYS H H 1 0.827326556513 0.0539680783869 . . . . . . . . . . 26713 6 2 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.767412953112 0.0509023182677 . . . . . . . . . . 26713 6 3 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.749678986284 0.0215188404526 . . . . . . . . . . 26713 6 4 . 1 1 207 207 HIS N N 15 . 1 1 207 207 HIS H H 1 0.799363506923 0.0183526168271 . . . . . . . . . . 26713 6 5 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.757135699016 0.0276455147038 . . . . . . . . . . 26713 6 6 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.691180024025 0.020254859955 . . . . . . . . . . 26713 6 7 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.665403083181 0.0498121063492 . . . . . . . . . . 26713 6 8 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.748421087048 0.0195597269199 . . . . . . . . . . 26713 6 9 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.819880734062 0.016727199836 . . . . . . . . . . 26713 6 10 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.809460541703 0.0299491376847 . . . . . . . . . . 26713 6 11 . 1 1 216 216 LEU N N 15 . 1 1 216 216 LEU H H 1 0.823455956849 0.0199616836551 . . . . . . . . . . 26713 6 12 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.816246519638 0.0396184250056 . . . . . . . . . . 26713 6 13 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.779504526715 0.042608065469 . . . . . . . . . . 26713 6 14 . 1 1 220 220 ALA N N 15 . 1 1 220 220 ALA H H 1 0.785909099357 0.0447732713907 . . . . . . . . . . 26713 6 15 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.600788068648 0.0369387999817 . . . . . . . . . . 26713 6 16 . 1 1 223 223 PHE N N 15 . 1 1 223 223 PHE H H 1 0.63454766372 0.0287944012425 . . . . . . . . . . 26713 6 17 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.813109602356 0.0412022357713 . . . . . . . . . . 26713 6 18 . 1 1 229 229 THR N N 15 . 1 1 229 229 THR H H 1 0.60648516568 0.033729200782 . . . . . . . . . . 26713 6 19 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.753019040476 0.0442001990248 . . . . . . . . . . 26713 6 20 . 1 1 232 232 TRP N N 15 . 1 1 232 232 TRP H H 1 0.777211525378 0.0357260424245 . . . . . . . . . . 26713 6 21 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.769977012171 0.0211981605493 . . . . . . . . . . 26713 6 22 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.737790526558 0.0198641224594 . . . . . . . . . . 26713 6 23 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.742171579956 0.0207393404614 . . . . . . . . . . 26713 6 24 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.713821125978 0.0264126282352 . . . . . . . . . . 26713 6 25 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.709593812706 0.0158294358782 . . . . . . . . . . 26713 6 26 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.61530987148 0.0524446163756 . . . . . . . . . . 26713 6 27 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.560428763643 0.0360123171436 . . . . . . . . . . 26713 6 28 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.765089635512 0.0460960812918 . . . . . . . . . . 26713 6 29 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.754232856453 0.046017946333 . . . . . . . . . . 26713 6 30 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.60870694309 0.0444287414772 . . . . . . . . . . 26713 6 31 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.770779807823 0.039774815435 . . . . . . . . . . 26713 6 32 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.915576712336 0.0586310654175 . . . . . . . . . . 26713 6 33 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.804731424994 0.0572662587527 . . . . . . . . . . 26713 6 34 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.941295579333 0.101351275134 . . . . . . . . . . 26713 6 35 . 1 1 253 253 ASP N N 15 . 1 1 253 253 ASP H H 1 0.64773304654 0.0698018005505 . . . . . . . . . . 26713 6 36 . 1 1 254 254 ARG N N 15 . 1 1 254 254 ARG H H 1 0.768965060519 0.103096142625 . . . . . . . . . . 26713 6 37 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.736220417993 0.0873719564002 . . . . . . . . . . 26713 6 38 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.796516046738 0.0404173553417 . . . . . . . . . . 26713 6 39 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.907751765575 0.0552739358577 . . . . . . . . . . 26713 6 40 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.814995245914 0.057982132443 . . . . . . . . . . 26713 6 41 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.729006579156 0.0195838784059 . . . . . . . . . . 26713 6 42 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.749874529806 0.0175210337332 . . . . . . . . . . 26713 6 43 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.784714919097 0.0244145468466 . . . . . . . . . . 26713 6 44 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.738320407151 0.0204062965314 . . . . . . . . . . 26713 6 45 . 1 1 271 271 ARG N N 15 . 1 1 271 271 ARG H H 1 0.788694889007 0.0192715623011 . . . . . . . . . . 26713 6 46 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.808388314469 0.0243056125575 . . . . . . . . . . 26713 6 47 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.771045076931 0.0189383322514 . . . . . . . . . . 26713 6 48 . 1 1 274 274 CYS N N 15 . 1 1 274 274 CYS H H 1 0.811227473812 0.0251678182147 . . . . . . . . . . 26713 6 49 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.826066241255 0.0218455842335 . . . . . . . . . . 26713 6 50 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.834607162997 0.027533967433 . . . . . . . . . . 26713 6 51 . 1 1 277 277 GLN N N 15 . 1 1 277 277 GLN H H 1 0.806993544636 0.0190191725893 . . . . . . . . . . 26713 6 52 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.69203771227 0.0394266183256 . . . . . . . . . . 26713 6 53 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.734181186479 0.0455997424529 . . . . . . . . . . 26713 6 54 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.892426146268 0.0854578169242 . . . . . . . . . . 26713 6 55 . 1 1 281 281 LEU N N 15 . 1 1 281 281 LEU H H 1 0.790722319035 0.0212742511342 . . . . . . . . . . 26713 6 56 . 1 1 285 285 LEU N N 15 . 1 1 285 285 LEU H H 1 0.750024172119 0.0323794923414 . . . . . . . . . . 26713 6 57 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.813914044707 0.0161437412228 . . . . . . . . . . 26713 6 58 . 1 1 288 288 ARG N N 15 . 1 1 288 288 ARG H H 1 0.733405043353 0.0140230478718 . . . . . . . . . . 26713 6 59 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.657511781606 0.0160959662216 . . . . . . . . . . 26713 6 60 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.344996118765 0.0118289747379 . . . . . . . . . . 26713 6 stop_ save_