############################## # 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 26711 _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 . 26711 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 . . 26711 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 0.294924652769 0.0810041372243 . . . . . . . . . . 26711 1 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.613515701049 0.133648893649 . . . . . . . . . . 26711 1 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.892560548207 0.15570749603 . . . . . . . . . . 26711 1 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.839345588942 0.129955043236 . . . . . . . . . . 26711 1 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.95281230336 0.159916582839 . . . . . . . . . . 26711 1 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.72307684915 0.079064963321 . . . . . . . . . . 26711 1 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.656525415787 0.133455176129 . . . . . . . . . . 26711 1 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.675334857459 0.132502336346 . . . . . . . . . . 26711 1 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.783048378102 0.059347018298 . . . . . . . . . . 26711 1 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.868480677176 0.134752016695 . . . . . . . . . . 26711 1 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.630285758234 0.100454324291 . . . . . . . . . . 26711 1 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 0.817306854762 0.123622434684 . . . . . . . . . . 26711 1 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.716837913785 0.17103473176 . . . . . . . . . . 26711 1 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.826183131572 0.140103176987 . . . . . . . . . . 26711 1 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.516478457799 0.12529938962 . . . . . . . . . . 26711 1 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.764999131834 0.0824959071324 . . . . . . . . . . 26711 1 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 0.628874457964 0.155320918209 . . . . . . . . . . 26711 1 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.721956451281 0.0547975690188 . . . . . . . . . . 26711 1 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.879716933252 0.12576245259 . . . . . . . . . . 26711 1 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.718360385128 0.0926386787855 . . . . . . . . . . 26711 1 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 1.03569209342 0.161187428391 . . . . . . . . . . 26711 1 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.73233366228 0.131806934198 . . . . . . . . . . 26711 1 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.708693651881 0.0903665083065 . . . . . . . . . . 26711 1 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.750245424871 0.12784051375 . . . . . . . . . . 26711 1 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.753817059746 0.0570109232658 . . . . . . . . . . 26711 1 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.723986071959 0.101939180232 . . . . . . . . . . 26711 1 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.788802359385 0.117863741372 . . . . . . . . . . 26711 1 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.754937307776 0.0962079533959 . . . . . . . . . . 26711 1 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.563356524869 0.0730007173161 . . . . . . . . . . 26711 1 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.737519854663 0.099552894062 . . . . . . . . . . 26711 1 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.686275493714 0.0624199543999 . . . . . . . . . . 26711 1 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.660484802773 0.125370248301 . . . . . . . . . . 26711 1 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 0.709073493223 0.18742830745 . . . . . . . . . . 26711 1 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 0.552309129738 0.132591961944 . . . . . . . . . . 26711 1 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 1.05422859058 0.206780033781 . . . . . . . . . . 26711 1 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 0.812254293068 0.103110120015 . . . . . . . . . . 26711 1 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.791202073167 0.129816972386 . . . . . . . . . . 26711 1 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.946311662097 0.117113372259 . . . . . . . . . . 26711 1 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.906320471372 0.141457514126 . . . . . . . . . . 26711 1 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.857870702537 0.0965595066175 . . . . . . . . . . 26711 1 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.774252303133 0.108965057268 . . . . . . . . . . 26711 1 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.497142595678 0.117468511556 . . . . . . . . . . 26711 1 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.952047491767 0.163116786536 . . . . . . . . . . 26711 1 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.904419590354 0.157002638205 . . . . . . . . . . 26711 1 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.757500168787 0.151246907604 . . . . . . . . . . 26711 1 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 0.98714998434 0.177815593195 . . . . . . . . . . 26711 1 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.952086518341 0.117927090529 . . . . . . . . . . 26711 1 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 1.01188346052 0.145960726769 . . . . . . . . . . 26711 1 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.750171743087 0.0736207655518 . . . . . . . . . . 26711 1 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.597782308481 0.0910435034576 . . . . . . . . . . 26711 1 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.893932824834 0.112266449133 . . . . . . . . . . 26711 1 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.705979957329 0.0804081214525 . . . . . . . . . . 26711 1 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 0.510568522601 0.254029198774 . . . . . . . . . . 26711 1 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.459516416158 0.0740972545761 . . . . . . . . . . 26711 1 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.691485853102 0.0618794411387 . . . . . . . . . . 26711 1 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.70404903622 0.0997511917406 . . . . . . . . . . 26711 1 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.921518453009 0.12265489873 . . . . . . . . . . 26711 1 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 1.11103875637 0.144743261732 . . . . . . . . . . 26711 1 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.951379160988 0.145814099132 . . . . . . . . . . 26711 1 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.932976336139 0.135497978832 . . . . . . . . . . 26711 1 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.765305073841 0.0758969634925 . . . . . . . . . . 26711 1 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.939582442219 0.126491275809 . . . . . . . . . . 26711 1 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.885381360349 0.123738792966 . . . . . . . . . . 26711 1 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.779134331082 0.0718469087825 . . . . . . . . . . 26711 1 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.673484965318 0.0408645729355 . . . . . . . . . . 26711 1 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.780494983094 0.108528362917 . . . . . . . . . . 26711 1 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.612919610084 0.0646473692186 . . . . . . . . . . 26711 1 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.719653396997 0.116788571542 . . . . . . . . . . 26711 1 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.771125325349 0.085928808724 . . . . . . . . . . 26711 1 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.782244894533 0.146995423153 . . . . . . . . . . 26711 1 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.760351403328 0.116206765992 . . . . . . . . . . 26711 1 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 1.10817332554 0.157527536181 . . . . . . . . . . 26711 1 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.915066001242 0.15258405147 . . . . . . . . . . 26711 1 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.767447575526 0.0726321484931 . . . . . . . . . . 26711 1 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.643745088215 0.059645491552 . . . . . . . . . . 26711 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 26711 _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 . 26711 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 . . 26711 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 0.398414527454 0.0558303030999 . . . . . . . . . . 26711 2 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.630117390957 0.0854944968941 . . . . . . . . . . 26711 2 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.734941012063 0.0823771775477 . . . . . . . . . . 26711 2 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.857230787559 0.0832433231148 . . . . . . . . . . 26711 2 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.825446542581 0.0930050501184 . . . . . . . . . . 26711 2 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.916168481042 0.073333473646 . . . . . . . . . . 26711 2 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.729774843136 0.099543183709 . . . . . . . . . . 26711 2 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.767182776008 0.102036845233 . . . . . . . . . . 26711 2 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.73094336678 0.041953786354 . . . . . . . . . . 26711 2 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.985871860195 0.0979932401211 . . . . . . . . . . 26711 2 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.694327329905 0.0899774459894 . . . . . . . . . . 26711 2 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 0.813306138967 0.0877424477337 . . . . . . . . . . 26711 2 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.966706757735 0.14870412846 . . . . . . . . . . 26711 2 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.702251749742 0.0857475687403 . . . . . . . . . . 26711 2 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.700657204123 0.0715129443111 . . . . . . . . . . 26711 2 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.753318816131 0.0587471557853 . . . . . . . . . . 26711 2 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 0.806006377473 0.155053250332 . . . . . . . . . . 26711 2 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.697933850376 0.0395766323198 . . . . . . . . . . 26711 2 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.706900154813 0.0712327515446 . . . . . . . . . . 26711 2 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.798514119525 0.0646174265127 . . . . . . . . . . 26711 2 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.691120201649 0.0807824639288 . . . . . . . . . . 26711 2 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.817113073678 0.0863448285648 . . . . . . . . . . 26711 2 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.784268647053 0.0772682107285 . . . . . . . . . . 26711 2 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.79835302056 0.078696649668 . . . . . . . . . . 26711 2 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.707601277176 0.040793349003 . . . . . . . . . . 26711 2 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.788626722172 0.0789090643746 . . . . . . . . . . 26711 2 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.718423863508 0.0843328829586 . . . . . . . . . . 26711 2 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.578031409273 0.0561635115126 . . . . . . . . . . 26711 2 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.472498889093 0.0440190948014 . . . . . . . . . . 26711 2 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.560068801116 0.0663945938652 . . . . . . . . . . 26711 2 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.720835291552 0.0450340439139 . . . . . . . . . . 26711 2 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.664361389101 0.0978331933629 . . . . . . . . . . 26711 2 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 0.767562256015 0.127033822935 . . . . . . . . . . 26711 2 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 0.919135124154 0.155698208116 . . . . . . . . . . 26711 2 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.650083530566 0.0833979237747 . . . . . . . . . . 26711 2 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 0.643733711264 0.0605078683245 . . . . . . . . . . 26711 2 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.825975983464 0.113086879752 . . . . . . . . . . 26711 2 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.815483749647 0.0669375675851 . . . . . . . . . . 26711 2 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.774751316323 0.0817402532074 . . . . . . . . . . 26711 2 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.60698340334 0.0724175269845 . . . . . . . . . . 26711 2 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.722518352004 0.0830380510637 . . . . . . . . . . 26711 2 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.495045229115 0.0869478926138 . . . . . . . . . . 26711 2 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.959100774411 0.114269249754 . . . . . . . . . . 26711 2 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.899723780368 0.104285875817 . . . . . . . . . . 26711 2 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.768776153731 0.136621826162 . . . . . . . . . . 26711 2 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 1.09329938947 0.145781540764 . . . . . . . . . . 26711 2 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.688567049538 0.0591562501181 . . . . . . . . . . 26711 2 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.731346883552 0.0796033805967 . . . . . . . . . . 26711 2 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.696715713751 0.0524622835214 . . . . . . . . . . 26711 2 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.773951064072 0.0864809069991 . . . . . . . . . . 26711 2 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.710259491374 0.0673911454355 . . . . . . . . . . 26711 2 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.770891342239 0.0645718342217 . . . . . . . . . . 26711 2 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 0.637609938058 0.177104874611 . . . . . . . . . . 26711 2 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.508041823448 0.0494458656084 . . . . . . . . . . 26711 2 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.74277332185 0.043811150402 . . . . . . . . . . 26711 2 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.888450419421 0.085878422822 . . . . . . . . . . 26711 2 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.698236726741 0.0655541674759 . . . . . . . . . . 26711 2 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 0.884284002598 0.0900065193403 . . . . . . . . . . 26711 2 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.680557408813 0.0931930903301 . . . . . . . . . . 26711 2 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.840030684876 0.0815545039599 . . . . . . . . . . 26711 2 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.796451084424 0.0536906772853 . . . . . . . . . . 26711 2 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.834728893274 0.0792579672733 . . . . . . . . . . 26711 2 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.70331722694 0.0671361402786 . . . . . . . . . . 26711 2 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.794666315065 0.0571218692485 . . . . . . . . . . 26711 2 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.681687270653 0.0294330127373 . . . . . . . . . . 26711 2 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.749134359769 0.0748693670173 . . . . . . . . . . 26711 2 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.573128767911 0.0435784977634 . . . . . . . . . . 26711 2 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.849169943685 0.0891463923218 . . . . . . . . . . 26711 2 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.831812826701 0.0667020798737 . . . . . . . . . . 26711 2 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.651700561345 0.0809506052626 . . . . . . . . . . 26711 2 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.706574635276 0.105258202906 . . . . . . . . . . 26711 2 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.836284257934 0.0918259458111 . . . . . . . . . . 26711 2 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.824562892006 0.0978586310077 . . . . . . . . . . 26711 2 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.825821979437 0.054924258576 . . . . . . . . . . 26711 2 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.586660682361 0.0399114794501 . . . . . . . . . . 26711 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 26711 _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 . 26711 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 . . 26711 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 0.524407138108 0.0441270683622 . . . . . . . . . . 26711 3 2 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.715823672935 0.0666451607729 . . . . . . . . . . 26711 3 3 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.879999650367 0.0514906061776 . . . . . . . . . . 26711 3 4 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.430740198381 0.114318519606 . . . . . . . . . . 26711 3 5 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 2.04413632412 1.6818588838 . . . . . . . . . . 26711 3 6 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.579447795009 0.0520142590357 . . . . . . . . . . 26711 3 7 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.879905230769 0.0449516232761 . . . . . . . . . . 26711 3 8 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.737837139441 0.0502802467377 . . . . . . . . . . 26711 3 9 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.912519211269 0.0476137918592 . . . . . . . . . . 26711 3 10 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.750929193914 0.0733386454882 . . . . . . . . . . 26711 3 11 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.825286389524 0.0763207343897 . . . . . . . . . . 26711 3 12 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.785676784136 0.0547337413569 . . . . . . . . . . 26711 3 13 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.965503931862 0.17470238967 . . . . . . . . . . 26711 3 14 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.944125797839 0.106007374202 . . . . . . . . . . 26711 3 15 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.894787174068 0.0774566664692 . . . . . . . . . . 26711 3 16 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.747579244268 0.0875099440913 . . . . . . . . . . 26711 3 17 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.836939820676 0.0627704865507 . . . . . . . . . . 26711 3 18 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.811702773617 0.0537441116052 . . . . . . . . . . 26711 3 19 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.820314477792 0.0406555426532 . . . . . . . . . . 26711 3 20 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.821453019693 0.0491022983984 . . . . . . . . . . 26711 3 21 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.803022721435 0.0392257971936 . . . . . . . . . . 26711 3 22 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.0960352580867 0.0297570631655 . . . . . . . . . . 26711 3 23 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.35317047004 0.0656675672179 . . . . . . . . . . 26711 3 24 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.883347032856 0.0706183379717 . . . . . . . . . . 26711 3 25 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.966452362114 0.0869615423273 . . . . . . . . . . 26711 3 26 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.760260494893 0.0651414692891 . . . . . . . . . . 26711 3 27 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.699507999386 0.0780518990694 . . . . . . . . . . 26711 3 28 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.753039279477 0.0831139157604 . . . . . . . . . . 26711 3 29 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.759044836974 0.0513186468118 . . . . . . . . . . 26711 3 30 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.800439486675 0.0396080111362 . . . . . . . . . . 26711 3 31 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.876589896715 0.0667867348789 . . . . . . . . . . 26711 3 32 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.896291596984 0.0618058445922 . . . . . . . . . . 26711 3 33 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.849510652691 0.0423133825395 . . . . . . . . . . 26711 3 34 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.865976646536 0.0947790546683 . . . . . . . . . . 26711 3 35 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.84615802298 0.0662962467061 . . . . . . . . . . 26711 3 36 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.855890399456 0.0741063681028 . . . . . . . . . . 26711 3 37 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.912021561675 0.0707199186195 . . . . . . . . . . 26711 3 38 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 1.40578650929 0.124675707489 . . . . . . . . . . 26711 3 39 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.910633072421 0.0595230819216 . . . . . . . . . . 26711 3 40 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.899575117464 0.0860931979099 . . . . . . . . . . 26711 3 41 . 1 1 95 95 THR N N 15 . 1 1 95 95 THR H H 1 -0.0611575641965 0.0226935617032 . . . . . . . . . . 26711 3 42 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.884199517361 0.111542920158 . . . . . . . . . . 26711 3 43 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.933109282421 0.0819771967378 . . . . . . . . . . 26711 3 44 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.811200612863 0.0713151378524 . . . . . . . . . . 26711 3 45 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.0932968591859 0.112418167192 . . . . . . . . . . 26711 3 46 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.665653609316 0.0604325846522 . . . . . . . . . . 26711 3 47 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.818749868837 0.0727411272795 . . . . . . . . . . 26711 3 48 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.923268407644 0.058840085363 . . . . . . . . . . 26711 3 49 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.840615887544 0.0727335738948 . . . . . . . . . . 26711 3 50 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.729730812866 0.0693107487403 . . . . . . . . . . 26711 3 51 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.870606248882 0.0913713144108 . . . . . . . . . . 26711 3 52 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.858458406082 0.0874663713052 . . . . . . . . . . 26711 3 53 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.854293144331 0.0533546654343 . . . . . . . . . . 26711 3 54 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.920322499015 0.0608609854104 . . . . . . . . . . 26711 3 55 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.681917348785 0.052212239828 . . . . . . . . . . 26711 3 56 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.789942227557 0.0652753489763 . . . . . . . . . . 26711 3 57 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.901587715904 0.0910972352349 . . . . . . . . . . 26711 3 58 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 1.00117313691 0.116990918776 . . . . . . . . . . 26711 3 59 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.737954492178 0.0723583600601 . . . . . . . . . . 26711 3 60 . 1 1 129 129 HIS N N 15 . 1 1 129 129 HIS H H 1 0.825314900728 0.0768083504585 . . . . . . . . . . 26711 3 61 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.895703501546 0.0840163032725 . . . . . . . . . . 26711 3 62 . 1 1 132 132 ALA N N 15 . 1 1 132 132 ALA H H 1 1.02202439889 0.0941533654499 . . . . . . . . . . 26711 3 63 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.670217956873 0.0654198255584 . . . . . . . . . . 26711 3 64 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 1.00580734408 0.149952020298 . . . . . . . . . . 26711 3 65 . 1 1 137 137 ASP N N 15 . 1 1 137 137 ASP H H 1 0.824758819412 0.0593796215444 . . . . . . . . . . 26711 3 66 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.891034474416 0.0961950656288 . . . . . . . . . . 26711 3 67 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.835839205212 0.0654811416994 . . . . . . . . . . 26711 3 68 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.87060038312 0.0913182367646 . . . . . . . . . . 26711 3 69 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.812235597049 0.07050017969 . . . . . . . . . . 26711 3 70 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.71609886279 0.0472534893007 . . . . . . . . . . 26711 3 71 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.851196017896 0.0507070638654 . . . . . . . . . . 26711 3 72 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.716447204668 0.0666782098161 . . . . . . . . . . 26711 3 73 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.557861668507 0.0788691060905 . . . . . . . . . . 26711 3 74 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.811034275008 0.0488581497624 . . . . . . . . . . 26711 3 75 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.844268916857 0.0432115769133 . . . . . . . . . . 26711 3 76 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.727816573205 0.0451592877761 . . . . . . . . . . 26711 3 77 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.707104132497 0.0549224798464 . . . . . . . . . . 26711 3 78 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 1.10453571088 0.231751465294 . . . . . . . . . . 26711 3 79 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.771625812625 0.0711001410896 . . . . . . . . . . 26711 3 80 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 0.798860900049 0.0938572885487 . . . . . . . . . . 26711 3 81 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.803600713483 0.0567018866084 . . . . . . . . . . 26711 3 82 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.87916840661 0.0757331297098 . . . . . . . . . . 26711 3 83 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.887300265734 0.117492436531 . . . . . . . . . . 26711 3 84 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.796455735036 0.0483502258625 . . . . . . . . . . 26711 3 85 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.800553155287 0.078790520316 . . . . . . . . . . 26711 3 86 . 1 1 162 162 TRP N N 15 . 1 1 162 162 TRP H H 1 0.870363165861 0.0790281360341 . . . . . . . . . . 26711 3 87 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.822262936069 0.0611179914705 . . . . . . . . . . 26711 3 88 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.743109766741 0.0487062232753 . . . . . . . . . . 26711 3 89 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.827302982462 0.0461686776178 . . . . . . . . . . 26711 3 90 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.793488239416 0.0619881903109 . . . . . . . . . . 26711 3 91 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.798870914507 0.0652581814481 . . . . . . . . . . 26711 3 92 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.912681563697 0.0564019325324 . . . . . . . . . . 26711 3 93 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.796796923033 0.0766935784174 . . . . . . . . . . 26711 3 94 . 1 1 175 175 LEU N N 15 . 1 1 175 175 LEU H H 1 0.961655113624 0.139222383629 . . . . . . . . . . 26711 3 95 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.752376492309 0.0686836007606 . . . . . . . . . . 26711 3 96 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.786334906449 0.0564663025105 . . . . . . . . . . 26711 3 97 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.67776758138 0.05842280536 . . . . . . . . . . 26711 3 98 . 1 1 179 179 CYS N N 15 . 1 1 179 179 CYS H H 1 0.750170206546 0.0928297531811 . . . . . . . . . . 26711 3 99 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.934124327588 0.0860329329554 . . . . . . . . . . 26711 3 100 . 1 1 184 184 ARG N N 15 . 1 1 184 184 ARG H H 1 0.905998579471 0.0823506234244 . . . . . . . . . . 26711 3 101 . 1 1 185 185 ARG N N 15 . 1 1 185 185 ARG H H 1 0.976765604435 0.0711113120023 . . . . . . . . . . 26711 3 102 . 1 1 187 187 LEU N N 15 . 1 1 187 187 LEU H H 1 0.895940647928 0.0856603058717 . . . . . . . . . . 26711 3 103 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.827571396775 0.078187918478 . . . . . . . . . . 26711 3 104 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.811785437988 0.0587219678064 . . . . . . . . . . 26711 3 105 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.810235476827 0.0592021013032 . . . . . . . . . . 26711 3 106 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.720608879043 0.1298392127 . . . . . . . . . . 26711 3 107 . 1 1 194 194 LEU N N 15 . 1 1 194 194 LEU H H 1 0.620221115925 0.096614096803 . . . . . . . . . . 26711 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 26711 _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 . 26711 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 . . 26711 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 0.524909342664 0.0421449035395 . . . . . . . . . . 26711 4 2 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.775566123706 0.0705566668507 . . . . . . . . . . 26711 4 3 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.734620719832 0.0461888930561 . . . . . . . . . . 26711 4 4 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.375735638648 0.0637643550262 . . . . . . . . . . 26711 4 5 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.0286382763925 0.335080248599 . . . . . . . . . . 26711 4 6 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.712634568083 0.0535551096699 . . . . . . . . . . 26711 4 7 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.819097361828 0.0447780080107 . . . . . . . . . . 26711 4 8 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.820227555039 0.0536022301173 . . . . . . . . . . 26711 4 9 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.715003459791 0.0409964608761 . . . . . . . . . . 26711 4 10 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.748065825863 0.0709993735326 . . . . . . . . . . 26711 4 11 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.853434739959 0.0884604504653 . . . . . . . . . . 26711 4 12 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.862304775361 0.0649074114171 . . . . . . . . . . 26711 4 13 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.745038054297 0.110198116297 . . . . . . . . . . 26711 4 14 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.773409448956 0.0931818685327 . . . . . . . . . . 26711 4 15 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 1.05926434131 0.118280120322 . . . . . . . . . . 26711 4 16 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.82897418557 0.0788984002624 . . . . . . . . . . 26711 4 17 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.759520512502 0.0567818394857 . . . . . . . . . . 26711 4 18 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.875421944173 0.0727238120782 . . . . . . . . . . 26711 4 19 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.846111398709 0.0457844453643 . . . . . . . . . . 26711 4 20 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.798110236288 0.0513410797083 . . . . . . . . . . 26711 4 21 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.801823408356 0.0393645273419 . . . . . . . . . . 26711 4 22 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.263963807172 0.026710136127 . . . . . . . . . . 26711 4 23 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.325619987308 0.0575167105673 . . . . . . . . . . 26711 4 24 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.855890903268 0.0695565712562 . . . . . . . . . . 26711 4 25 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.790870663479 0.0728115300028 . . . . . . . . . . 26711 4 26 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.728759944539 0.0630701077178 . . . . . . . . . . 26711 4 27 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.76386968787 0.0859900541621 . . . . . . . . . . 26711 4 28 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.739480120837 0.0727288858278 . . . . . . . . . . 26711 4 29 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.702598711952 0.0464560543732 . . . . . . . . . . 26711 4 30 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.719832984748 0.0441054548269 . . . . . . . . . . 26711 4 31 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.787232444496 0.0610987885937 . . . . . . . . . . 26711 4 32 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.72920122206 0.0505584434413 . . . . . . . . . . 26711 4 33 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.723335355544 0.0424424284043 . . . . . . . . . . 26711 4 34 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.85343452272 0.0966975816286 . . . . . . . . . . 26711 4 35 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.758564647997 0.0607626700351 . . . . . . . . . . 26711 4 36 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.82166549345 0.0698947570935 . . . . . . . . . . 26711 4 37 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.717030330895 0.056259066153 . . . . . . . . . . 26711 4 38 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.831503182225 0.0849337919838 . . . . . . . . . . 26711 4 39 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.775548270807 0.0497373625632 . . . . . . . . . . 26711 4 40 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.810310690999 0.0878553591655 . . . . . . . . . . 26711 4 41 . 1 1 95 95 THR N N 15 . 1 1 95 95 THR H H 1 0.350855265691 0.0197398201718 . . . . . . . . . . 26711 4 42 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.703359480075 0.0793706037153 . . . . . . . . . . 26711 4 43 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.878593168659 0.0694883801227 . . . . . . . . . . 26711 4 44 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.703079285835 0.0716495361883 . . . . . . . . . . 26711 4 45 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.0761347260681 0.0718560605643 . . . . . . . . . . 26711 4 46 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.572249833039 0.0575153072533 . . . . . . . . . . 26711 4 47 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.810375361567 0.0377767832573 . . . . . . . . . . 26711 4 48 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.831672767169 0.0521453209435 . . . . . . . . . . 26711 4 49 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.816493604252 0.0772769534485 . . . . . . . . . . 26711 4 50 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.737048609684 0.0798093455253 . . . . . . . . . . 26711 4 51 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.715460221639 0.0686495951909 . . . . . . . . . . 26711 4 52 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.90498733051 0.082934987729 . . . . . . . . . . 26711 4 53 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.801614335337 0.0494852367987 . . . . . . . . . . 26711 4 54 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.708971702492 0.0495877770334 . . . . . . . . . . 26711 4 55 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.627540839857 0.0457318031997 . . . . . . . . . . 26711 4 56 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.742049251951 0.0585760106183 . . . . . . . . . . 26711 4 57 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.831363392586 0.0764647397332 . . . . . . . . . . 26711 4 58 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.717570576544 0.0806091906422 . . . . . . . . . . 26711 4 59 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.762593914281 0.0870307926131 . . . . . . . . . . 26711 4 60 . 1 1 129 129 HIS N N 15 . 1 1 129 129 HIS H H 1 0.786810918325 0.0741462386876 . . . . . . . . . . 26711 4 61 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.981598389631 0.110205107139 . . . . . . . . . . 26711 4 62 . 1 1 132 132 ALA N N 15 . 1 1 132 132 ALA H H 1 0.868581279271 0.0811201790855 . . . . . . . . . . 26711 4 63 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.741654793799 0.0784817765432 . . . . . . . . . . 26711 4 64 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.883800221585 0.11172388139 . . . . . . . . . . 26711 4 65 . 1 1 137 137 ASP N N 15 . 1 1 137 137 ASP H H 1 0.679231561269 0.0565059213379 . . . . . . . . . . 26711 4 66 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.659727250667 0.0665638746693 . . . . . . . . . . 26711 4 67 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.847419811731 0.0711138193978 . . . . . . . . . . 26711 4 68 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.873237799276 0.108721570864 . . . . . . . . . . 26711 4 69 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.806903198866 0.0661713724019 . . . . . . . . . . 26711 4 70 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.779552839415 0.045229823186 . . . . . . . . . . 26711 4 71 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.808158189372 0.0496422645691 . . . . . . . . . . 26711 4 72 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.813741447237 0.0738843382166 . . . . . . . . . . 26711 4 73 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.552084244038 0.0640340119826 . . . . . . . . . . 26711 4 74 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.793437430018 0.049342681687 . . . . . . . . . . 26711 4 75 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.77549426126 0.048278461665 . . . . . . . . . . 26711 4 76 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.699495512592 0.0433189862196 . . . . . . . . . . 26711 4 77 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.640991862812 0.0512825233747 . . . . . . . . . . 26711 4 78 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.624626943925 0.113233886542 . . . . . . . . . . 26711 4 79 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.699654633735 0.064753286285 . . . . . . . . . . 26711 4 80 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 0.879824528099 0.101475417812 . . . . . . . . . . 26711 4 81 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.835695392944 0.0548832217706 . . . . . . . . . . 26711 4 82 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.779187567735 0.0554806955174 . . . . . . . . . . 26711 4 83 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.857225532038 0.0978728433354 . . . . . . . . . . 26711 4 84 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.785390958006 0.0478786118392 . . . . . . . . . . 26711 4 85 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.987907784721 0.0950343186097 . . . . . . . . . . 26711 4 86 . 1 1 162 162 TRP N N 15 . 1 1 162 162 TRP H H 1 0.797235111126 0.0820648720783 . . . . . . . . . . 26711 4 87 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.814204520614 0.0589245317216 . . . . . . . . . . 26711 4 88 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.841061468022 0.0502294677318 . . . . . . . . . . 26711 4 89 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.803839702645 0.0467467366042 . . . . . . . . . . 26711 4 90 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.740863724562 0.0630426739518 . . . . . . . . . . 26711 4 91 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.720387059473 0.0382802630678 . . . . . . . . . . 26711 4 92 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.753666065051 0.0493765278621 . . . . . . . . . . 26711 4 93 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.872407331412 0.0773296246803 . . . . . . . . . . 26711 4 94 . 1 1 175 175 LEU N N 15 . 1 1 175 175 LEU H H 1 0.716839116198 0.0929479819756 . . . . . . . . . . 26711 4 95 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.829339296839 0.0696969639689 . . . . . . . . . . 26711 4 96 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.69029437117 0.0539049098303 . . . . . . . . . . 26711 4 97 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.589060109964 0.0537646427363 . . . . . . . . . . 26711 4 98 . 1 1 179 179 CYS N N 15 . 1 1 179 179 CYS H H 1 0.714033928575 0.105780662943 . . . . . . . . . . 26711 4 99 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.827516069404 0.0761724100562 . . . . . . . . . . 26711 4 100 . 1 1 184 184 ARG N N 15 . 1 1 184 184 ARG H H 1 0.764077210112 0.07509389772 . . . . . . . . . . 26711 4 101 . 1 1 185 185 ARG N N 15 . 1 1 185 185 ARG H H 1 0.746775031959 0.0527314169236 . . . . . . . . . . 26711 4 102 . 1 1 187 187 LEU N N 15 . 1 1 187 187 LEU H H 1 0.702365685478 0.0557925105042 . . . . . . . . . . 26711 4 103 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.7897030291 0.0665847507741 . . . . . . . . . . 26711 4 104 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.8256443476 0.0611881799723 . . . . . . . . . . 26711 4 105 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.75164540803 0.0599048696395 . . . . . . . . . . 26711 4 106 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.696774700034 0.063205833449 . . . . . . . . . . 26711 4 107 . 1 1 194 194 LEU N N 15 . 1 1 194 194 LEU H H 1 0.85059618128 0.0826609683809 . . . . . . . . . . 26711 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 26711 _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 . 26711 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 . . 26711 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 0.840428790756 0.0448720825922 . . . . . . . . . . 26711 5 2 . 1 1 202 202 THR N N 15 . 1 1 202 202 THR H H 1 0.784292539392 0.0449147464035 . . . . . . . . . . 26711 5 3 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.745150488851 0.0491920646214 . . . . . . . . . . 26711 5 4 . 1 1 205 205 THR N N 15 . 1 1 205 205 THR H H 1 0.8299804793 0.0425688640801 . . . . . . . . . . 26711 5 5 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.772155140467 0.0355355302794 . . . . . . . . . . 26711 5 6 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.618264225241 0.0442865308347 . . . . . . . . . . 26711 5 7 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.558958220387 0.0450345794173 . . . . . . . . . . 26711 5 8 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.648174765548 0.10574967878 . . . . . . . . . . 26711 5 9 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.777151989008 0.0508548028816 . . . . . . . . . . 26711 5 10 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.881768659127 0.0384950133661 . . . . . . . . . . 26711 5 11 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.778302316649 0.0358237788794 . . . . . . . . . . 26711 5 12 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.819783505724 0.0474696443747 . . . . . . . . . . 26711 5 13 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.835039065968 0.0392873098221 . . . . . . . . . . 26711 5 14 . 1 1 220 220 ALA N N 15 . 1 1 220 220 ALA H H 1 0.845423817756 0.0430975936303 . . . . . . . . . . 26711 5 15 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.635347844923 0.0438675111994 . . . . . . . . . . 26711 5 16 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.775707244246 0.0464544041331 . . . . . . . . . . 26711 5 17 . 1 1 230 230 LEU N N 15 . 1 1 230 230 LEU H H 1 0.793289611638 0.0322562858246 . . . . . . . . . . 26711 5 18 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.763210525513 0.0367469436625 . . . . . . . . . . 26711 5 19 . 1 1 232 232 TRP N N 15 . 1 1 232 232 TRP H H 1 0.756237852355 0.0396656459529 . . . . . . . . . . 26711 5 20 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.776796374412 0.0373308059503 . . . . . . . . . . 26711 5 21 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.720040808991 0.0356290250824 . . . . . . . . . . 26711 5 22 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.693215848264 0.0344177955004 . . . . . . . . . . 26711 5 23 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.789278879122 0.0545526850359 . . . . . . . . . . 26711 5 24 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.673689405673 0.0309414977166 . . . . . . . . . . 26711 5 25 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.755550842669 0.0672114829408 . . . . . . . . . . 26711 5 26 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.640059805716 0.0470293847199 . . . . . . . . . . 26711 5 27 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.784273118437 0.0415019374975 . . . . . . . . . . 26711 5 28 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.817311264629 0.035340446071 . . . . . . . . . . 26711 5 29 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.706329579825 0.04579955253 . . . . . . . . . . 26711 5 30 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.795724041587 0.0423694253455 . . . . . . . . . . 26711 5 31 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.893098713859 0.0603493079472 . . . . . . . . . . 26711 5 32 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.927309490982 0.0740610362554 . . . . . . . . . . 26711 5 33 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.674282508374 0.0803030638714 . . . . . . . . . . 26711 5 34 . 1 1 253 253 ASP N N 15 . 1 1 253 253 ASP H H 1 0.693797413701 0.0839745646435 . . . . . . . . . . 26711 5 35 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.595875745968 0.0804063504381 . . . . . . . . . . 26711 5 36 . 1 1 256 256 PHE N N 15 . 1 1 256 256 PHE H H 1 0.763875084609 0.0645297669966 . . . . . . . . . . 26711 5 37 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.838710711648 0.0519246768427 . . . . . . . . . . 26711 5 38 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.844177015828 0.0460372400463 . . . . . . . . . . 26711 5 39 . 1 1 260 260 ALA N N 15 . 1 1 260 260 ALA H H 1 0.84157599258 0.035495902477 . . . . . . . . . . 26711 5 40 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.838845778601 0.0484281662471 . . . . . . . . . . 26711 5 41 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.78725536718 0.0317023522269 . . . . . . . . . . 26711 5 42 . 1 1 266 266 SER N N 15 . 1 1 266 266 SER H H 1 0.773608876541 0.0294341088766 . . . . . . . . . . 26711 5 43 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.761487821567 0.0369037840972 . . . . . . . . . . 26711 5 44 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.78062131291 0.0468667967991 . . . . . . . . . . 26711 5 45 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.748885877536 0.0458989025677 . . . . . . . . . . 26711 5 46 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.700804167017 0.0372979574253 . . . . . . . . . . 26711 5 47 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.821392982337 0.0386354673543 . . . . . . . . . . 26711 5 48 . 1 1 274 274 CYS N N 15 . 1 1 274 274 CYS H H 1 0.816659983946 0.0403448529139 . . . . . . . . . . 26711 5 49 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.85447797112 0.0378387509265 . . . . . . . . . . 26711 5 50 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.877393393877 0.0414061077242 . . . . . . . . . . 26711 5 51 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.846233185159 0.0405683419788 . . . . . . . . . . 26711 5 52 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.743974702831 0.0460957335146 . . . . . . . . . . 26711 5 53 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.842077626393 0.0815096905069 . . . . . . . . . . 26711 5 54 . 1 1 283 283 LYS N N 15 . 1 1 283 283 LYS H H 1 0.509413061635 0.0377741102781 . . . . . . . . . . 26711 5 55 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.805776892282 0.0398365876697 . . . . . . . . . . 26711 5 56 . 1 1 288 288 ARG N N 15 . 1 1 288 288 ARG H H 1 0.814926469564 0.0298661210674 . . . . . . . . . . 26711 5 57 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.726560610059 0.026158046896 . . . . . . . . . . 26711 5 58 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.247349234928 0.0212663759768 . . . . . . . . . . 26711 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 26711 _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 . 26711 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 . . 26711 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 0.759832269577 0.0441670571486 . . . . . . . . . . 26711 6 2 . 1 1 202 202 THR N N 15 . 1 1 202 202 THR H H 1 0.756881368108 0.0417709418193 . . . . . . . . . . 26711 6 3 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.762239614928 0.0457451495619 . . . . . . . . . . 26711 6 4 . 1 1 205 205 THR N N 15 . 1 1 205 205 THR H H 1 0.737974910538 0.0398407671624 . . . . . . . . . . 26711 6 5 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.714210468197 0.0374925404667 . . . . . . . . . . 26711 6 6 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.771991851948 0.0545703706538 . . . . . . . . . . 26711 6 7 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.625502362346 0.0435818019159 . . . . . . . . . . 26711 6 8 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.629716537524 0.0778568518235 . . . . . . . . . . 26711 6 9 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.649621096412 0.0441817065128 . . . . . . . . . . 26711 6 10 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.772931239016 0.0360542589124 . . . . . . . . . . 26711 6 11 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.812167071014 0.0442453925856 . . . . . . . . . . 26711 6 12 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.825528861702 0.047150307179 . . . . . . . . . . 26711 6 13 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.836904255565 0.0424195701809 . . . . . . . . . . 26711 6 14 . 1 1 220 220 ALA N N 15 . 1 1 220 220 ALA H H 1 0.820284053081 0.0409601996982 . . . . . . . . . . 26711 6 15 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.66570197517 0.0514502776297 . . . . . . . . . . 26711 6 16 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.756075772074 0.0464381977588 . . . . . . . . . . 26711 6 17 . 1 1 230 230 LEU N N 15 . 1 1 230 230 LEU H H 1 0.734685089371 0.0352896264166 . . . . . . . . . . 26711 6 18 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.732698783167 0.0365533061665 . . . . . . . . . . 26711 6 19 . 1 1 232 232 TRP N N 15 . 1 1 232 232 TRP H H 1 0.753427703459 0.0406227444776 . . . . . . . . . . 26711 6 20 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.795894392534 0.0425391115017 . . . . . . . . . . 26711 6 21 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.690109952201 0.0386942805267 . . . . . . . . . . 26711 6 22 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.705217859706 0.0390585301224 . . . . . . . . . . 26711 6 23 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.750181024822 0.0553570569209 . . . . . . . . . . 26711 6 24 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.689095580007 0.03366904514 . . . . . . . . . . 26711 6 25 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.620935399274 0.058206512647 . . . . . . . . . . 26711 6 26 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.566862924787 0.0413005196715 . . . . . . . . . . 26711 6 27 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.757862508176 0.0407053296925 . . . . . . . . . . 26711 6 28 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.737502539296 0.038419132859 . . . . . . . . . . 26711 6 29 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.663821099313 0.044537297499 . . . . . . . . . . 26711 6 30 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.732199437493 0.0382215063314 . . . . . . . . . . 26711 6 31 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.756923841237 0.0566550889891 . . . . . . . . . . 26711 6 32 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.780725535326 0.0593504913514 . . . . . . . . . . 26711 6 33 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.857313256243 0.0994928174072 . . . . . . . . . . 26711 6 34 . 1 1 253 253 ASP N N 15 . 1 1 253 253 ASP H H 1 0.815853834363 0.0806641203874 . . . . . . . . . . 26711 6 35 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.472282590545 0.0631348998781 . . . . . . . . . . 26711 6 36 . 1 1 256 256 PHE N N 15 . 1 1 256 256 PHE H H 1 0.769670584336 0.0608801580934 . . . . . . . . . . 26711 6 37 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.7597320061 0.0497045657242 . . . . . . . . . . 26711 6 38 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.819012951261 0.0497892278195 . . . . . . . . . . 26711 6 39 . 1 1 260 260 ALA N N 15 . 1 1 260 260 ALA H H 1 0.77797402539 0.0371469126272 . . . . . . . . . . 26711 6 40 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.74155278671 0.0579304424059 . . . . . . . . . . 26711 6 41 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.725593017404 0.0334843570598 . . . . . . . . . . 26711 6 42 . 1 1 266 266 SER N N 15 . 1 1 266 266 SER H H 1 0.704563244513 0.0286871993009 . . . . . . . . . . 26711 6 43 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.702201917798 0.0379894714552 . . . . . . . . . . 26711 6 44 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.693119550057 0.0516417758639 . . . . . . . . . . 26711 6 45 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.709073400959 0.0473509836102 . . . . . . . . . . 26711 6 46 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.697564051844 0.0374037020114 . . . . . . . . . . 26711 6 47 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.819336554775 0.0414457400078 . . . . . . . . . . 26711 6 48 . 1 1 274 274 CYS N N 15 . 1 1 274 274 CYS H H 1 0.8563748447 0.0463256120899 . . . . . . . . . . 26711 6 49 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.849405767081 0.0414935306988 . . . . . . . . . . 26711 6 50 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.772800663517 0.0401910259186 . . . . . . . . . . 26711 6 51 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.78428404404 0.0399235066391 . . . . . . . . . . 26711 6 52 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.792543886144 0.0489459459137 . . . . . . . . . . 26711 6 53 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.701211330708 0.0737874363563 . . . . . . . . . . 26711 6 54 . 1 1 283 283 LYS N N 15 . 1 1 283 283 LYS H H 1 0.641004652666 0.051484666542 . . . . . . . . . . 26711 6 55 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.736268327279 0.040635119274 . . . . . . . . . . 26711 6 56 . 1 1 288 288 ARG N N 15 . 1 1 288 288 ARG H H 1 0.714408621374 0.0292313575513 . . . . . . . . . . 26711 6 57 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.7081139634 0.0307184831185 . . . . . . . . . . 26711 6 58 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.254489094367 0.0237593182491 . . . . . . . . . . 26711 6 stop_ save_