############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_hetNOE_bn_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_bn_1 _Heteronucl_NOE_list.Entry_ID 26710 _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 3 '600.18 MHz steady-state NOE' 1 $sample_1 . 26710 1 7 '600.18 MHz R1' 1 $sample_1 . 26710 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 . . 26710 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 0.314299646618 0.0928013170646 . . . . . . . . . . 26710 1 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.702887151656 0.0846059711307 . . . . . . . . . . 26710 1 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.897775747187 0.0901454294003 . . . . . . . . . . 26710 1 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 1.02059695702 0.107521259924 . . . . . . . . . . 26710 1 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.746241501253 0.0847207276496 . . . . . . . . . . 26710 1 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.78577864129 0.0602223558573 . . . . . . . . . . 26710 1 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.745996118905 0.0978949551278 . . . . . . . . . . 26710 1 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.783856394599 0.105496789672 . . . . . . . . . . 26710 1 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.866345793754 0.0541286917645 . . . . . . . . . . 26710 1 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.694455469122 0.059523954965 . . . . . . . . . . 26710 1 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.802879098427 0.0969332343705 . . . . . . . . . . 26710 1 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 0.838091690254 0.0762225113425 . . . . . . . . . . 26710 1 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.713160605197 0.0944221762213 . . . . . . . . . . 26710 1 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.741946997218 0.0951388929649 . . . . . . . . . . 26710 1 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.820691873982 0.0895755839348 . . . . . . . . . . 26710 1 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 1.08268264326 0.0867150148388 . . . . . . . . . . 26710 1 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 0.782496311238 0.171947745444 . . . . . . . . . . 26710 1 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.639916366255 0.034158972887 . . . . . . . . . . 26710 1 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.824903636587 0.0878773423409 . . . . . . . . . . 26710 1 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.79067076694 0.0625220097391 . . . . . . . . . . 26710 1 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.786051410217 0.0835369558074 . . . . . . . . . . 26710 1 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.831907537499 0.0958374261919 . . . . . . . . . . 26710 1 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.818174211012 0.0801221814768 . . . . . . . . . . 26710 1 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.861099827964 0.0949859026471 . . . . . . . . . . 26710 1 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.781352423598 0.0481305885162 . . . . . . . . . . 26710 1 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.767275744614 0.0833563355757 . . . . . . . . . . 26710 1 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.769173076627 0.100893502575 . . . . . . . . . . 26710 1 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.768253301473 0.0730032553334 . . . . . . . . . . 26710 1 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.537183180186 0.0533198287658 . . . . . . . . . . 26710 1 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.644594916037 0.0600793633495 . . . . . . . . . . 26710 1 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.755983062397 0.0434484252562 . . . . . . . . . . 26710 1 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.800418945569 0.13092190159 . . . . . . . . . . 26710 1 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 1.35487468322 0.343938844889 . . . . . . . . . . 26710 1 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 0.591923501015 0.0737152074546 . . . . . . . . . . 26710 1 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.963341655594 0.122444018219 . . . . . . . . . . 26710 1 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 0.815661408362 0.0893168765359 . . . . . . . . . . 26710 1 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.839363270925 0.108977068284 . . . . . . . . . . 26710 1 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.701322416514 0.0589086373581 . . . . . . . . . . 26710 1 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.950421975391 0.102921840307 . . . . . . . . . . 26710 1 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.90138630033 0.0699277641546 . . . . . . . . . . 26710 1 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.980659811084 0.10459615578 . . . . . . . . . . 26710 1 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.887948781413 0.123956539631 . . . . . . . . . . 26710 1 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.780594607563 0.0790059841672 . . . . . . . . . . 26710 1 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.721960322347 0.0823899058336 . . . . . . . . . . 26710 1 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.828435675066 0.120075811172 . . . . . . . . . . 26710 1 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 0.863661876965 0.0929924593826 . . . . . . . . . . 26710 1 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.815362426902 0.0825816915619 . . . . . . . . . . 26710 1 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.758388064828 0.0749280253762 . . . . . . . . . . 26710 1 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.737206495411 0.0497584021386 . . . . . . . . . . 26710 1 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.799847800536 0.0712377592601 . . . . . . . . . . 26710 1 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.770470304536 0.0695967910845 . . . . . . . . . . 26710 1 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.689156745718 0.0585946114642 . . . . . . . . . . 26710 1 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 0.627175295859 0.130660203039 . . . . . . . . . . 26710 1 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.383623710538 0.0490527833966 . . . . . . . . . . 26710 1 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.636974231545 0.0466021358841 . . . . . . . . . . 26710 1 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.712627391183 0.0701936554423 . . . . . . . . . . 26710 1 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.720226348284 0.0767156385417 . . . . . . . . . . 26710 1 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 0.894430380799 0.0823960010335 . . . . . . . . . . 26710 1 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.753224268099 0.0937313068655 . . . . . . . . . . 26710 1 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.816944974331 0.0811436014728 . . . . . . . . . . 26710 1 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.827587580429 0.0554265183857 . . . . . . . . . . 26710 1 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.642689008195 0.0780654125361 . . . . . . . . . . 26710 1 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.648331019206 0.075533812754 . . . . . . . . . . 26710 1 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.803600140912 0.0576174915064 . . . . . . . . . . 26710 1 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.64596485579 0.0310628231395 . . . . . . . . . . 26710 1 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.857473612294 0.0853960199467 . . . . . . . . . . 26710 1 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.720629459607 0.0581116769183 . . . . . . . . . . 26710 1 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 1.03526657544 0.107706842458 . . . . . . . . . . 26710 1 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.813807948383 0.0656774214378 . . . . . . . . . . 26710 1 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.784444373688 0.0997021425783 . . . . . . . . . . 26710 1 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.734304244473 0.0661487808181 . . . . . . . . . . 26710 1 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.762690135333 0.081755732116 . . . . . . . . . . 26710 1 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.73215381739 0.0807450519328 . . . . . . . . . . 26710 1 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.773843796799 0.0547273504027 . . . . . . . . . . 26710 1 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.688173450762 0.0497620829932 . . . . . . . . . . 26710 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_750.46_MHz_hetNOE_bn_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_bn_2 _Heteronucl_NOE_list.Entry_ID 26710 _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 6 '750.46 MHz steady-state NOE' 1 $sample_1 . 26710 2 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26710 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 0.537383181016 0.116997524509 . . . . . . . . . . 26710 2 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.697297010754 0.10334711604 . . . . . . . . . . 26710 2 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.8074294055 0.083744139675 . . . . . . . . . . 26710 2 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.725304490818 0.0714233474883 . . . . . . . . . . 26710 2 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.869976633863 0.0926823537529 . . . . . . . . . . 26710 2 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.808853912363 0.0610863789807 . . . . . . . . . . 26710 2 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.682947661342 0.0908242599656 . . . . . . . . . . 26710 2 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.767525238048 0.0963080191717 . . . . . . . . . . 26710 2 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.785767284637 0.0488522791549 . . . . . . . . . . 26710 2 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.953469362132 0.0856328989753 . . . . . . . . . . 26710 2 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.882678034634 0.0946276221426 . . . . . . . . . . 26710 2 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 0.753670919631 0.0684132018424 . . . . . . . . . . 26710 2 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.842350046478 0.0923491917879 . . . . . . . . . . 26710 2 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.7444714436 0.0885691482444 . . . . . . . . . . 26710 2 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.82412767907 0.0786958755995 . . . . . . . . . . 26710 2 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.754813776045 0.0647550429496 . . . . . . . . . . 26710 2 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 0.764406682134 0.154667247729 . . . . . . . . . . 26710 2 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.721095445939 0.0388502130506 . . . . . . . . . . 26710 2 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.759563956969 0.0756695701215 . . . . . . . . . . 26710 2 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.734660044871 0.0608568924073 . . . . . . . . . . 26710 2 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.708126712754 0.0768788371975 . . . . . . . . . . 26710 2 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.828490576744 0.0888371980145 . . . . . . . . . . 26710 2 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.895222358175 0.0898602885458 . . . . . . . . . . 26710 2 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.883664076614 0.0964816065974 . . . . . . . . . . 26710 2 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.738049454021 0.0496022593681 . . . . . . . . . . 26710 2 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.819140297563 0.0903562516598 . . . . . . . . . . 26710 2 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.742552481859 0.0883999907361 . . . . . . . . . . 26710 2 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.542064180019 0.0697074419306 . . . . . . . . . . 26710 2 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.468508858261 0.0583846291298 . . . . . . . . . . 26710 2 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.629139523446 0.0655276940889 . . . . . . . . . . 26710 2 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.779595224886 0.0482217326934 . . . . . . . . . . 26710 2 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.961877322472 0.143882206249 . . . . . . . . . . 26710 2 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 1.16803848338 0.282360110456 . . . . . . . . . . 26710 2 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 0.695827815074 0.0921530775844 . . . . . . . . . . 26710 2 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.731279930548 0.0807205399458 . . . . . . . . . . 26710 2 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 0.659865786318 0.0693559969723 . . . . . . . . . . 26710 2 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.749945005385 0.0902016112461 . . . . . . . . . . 26710 2 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.794017965986 0.0631394107387 . . . . . . . . . . 26710 2 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.738560538551 0.0842895678305 . . . . . . . . . . 26710 2 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.774945399105 0.0697728800267 . . . . . . . . . . 26710 2 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.983325173083 0.0924416829218 . . . . . . . . . . 26710 2 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.856827122683 0.107410630724 . . . . . . . . . . 26710 2 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.749584308913 0.0733673038939 . . . . . . . . . . 26710 2 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.864914756136 0.0855636712041 . . . . . . . . . . 26710 2 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.823229076575 0.0929581135376 . . . . . . . . . . 26710 2 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 0.750701623943 0.0943818461924 . . . . . . . . . . 26710 2 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.725247302388 0.0615876835212 . . . . . . . . . . 26710 2 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.758891171005 0.0696058742621 . . . . . . . . . . 26710 2 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.63282813129 0.0491462807096 . . . . . . . . . . 26710 2 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.839201458418 0.0843203758464 . . . . . . . . . . 26710 2 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.69866923016 0.0631255975487 . . . . . . . . . . 26710 2 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.757847560215 0.0645707346416 . . . . . . . . . . 26710 2 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 1.11816872134 0.312206993975 . . . . . . . . . . 26710 2 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.483371693162 0.0594448755982 . . . . . . . . . . 26710 2 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.710481626837 0.052032807723 . . . . . . . . . . 26710 2 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.750307573247 0.0861619982653 . . . . . . . . . . 26710 2 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.789333549238 0.0761438006922 . . . . . . . . . . 26710 2 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 0.758977289309 0.0724895036536 . . . . . . . . . . 26710 2 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.868125543443 0.103188285473 . . . . . . . . . . 26710 2 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.636219383888 0.0747478767176 . . . . . . . . . . 26710 2 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.718014500934 0.0496232474974 . . . . . . . . . . 26710 2 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.783125113453 0.100957379247 . . . . . . . . . . 26710 2 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.699531328302 0.0681197113861 . . . . . . . . . . 26710 2 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.712090085478 0.0533600297378 . . . . . . . . . . 26710 2 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.659399121092 0.0315060641594 . . . . . . . . . . 26710 2 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.574061233221 0.0676503673907 . . . . . . . . . . 26710 2 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.709478165217 0.0587849796017 . . . . . . . . . . 26710 2 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.801941177271 0.0864048878458 . . . . . . . . . . 26710 2 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.796201683969 0.0679497835798 . . . . . . . . . . 26710 2 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.720658263222 0.0818678725034 . . . . . . . . . . 26710 2 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.729514921783 0.0722836295804 . . . . . . . . . . 26710 2 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.821126791921 0.0887704096575 . . . . . . . . . . 26710 2 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.670131398642 0.0936672454894 . . . . . . . . . . 26710 2 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.818132994038 0.0554954336876 . . . . . . . . . . 26710 2 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.664793721532 0.0479970104346 . . . . . . . . . . 26710 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_hetNOE_b2m_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_b2m_1 _Heteronucl_NOE_list.Entry_ID 26710 _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 . 26710 3 7 '600.18 MHz R1' 1 $sample_1 . 26710 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 . . 26710 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 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.734456596201 0.0349060960532 . . . . . . . . . . 26710 3 2 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.819971327515 0.0315426278983 . . . . . . . . . . 26710 3 3 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.723148550818 0.0377120828612 . . . . . . . . . . 26710 3 4 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.652721286678 0.0460349299861 . . . . . . . . . . 26710 3 5 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.912833152059 0.152644116169 . . . . . . . . . . 26710 3 6 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.693045004566 0.0382263675099 . . . . . . . . . . 26710 3 7 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.817513973326 0.0295957594113 . . . . . . . . . . 26710 3 8 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.817453148215 0.0296340306114 . . . . . . . . . . 26710 3 9 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.903318583998 0.0372979862021 . . . . . . . . . . 26710 3 10 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.855462250293 0.0308222383431 . . . . . . . . . . 26710 3 11 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.730682065071 0.0314802099856 . . . . . . . . . . 26710 3 12 . 1 1 224 224 TYR N N 15 . 1 1 224 224 TYR H H 1 0.851711620977 0.0305161498416 . . . . . . . . . . 26710 3 13 . 1 1 227 227 GLU N N 15 . 1 1 227 227 GLU H H 1 0.745517641592 0.0263438431223 . . . . . . . . . . 26710 3 14 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.775564626768 0.0251065172767 . . . . . . . . . . 26710 3 15 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.818771058863 0.0296722166986 . . . . . . . . . . 26710 3 16 . 1 1 232 232 TRP N N 15 . 1 1 232 232 TRP H H 1 0.772803962214 0.0315401973165 . . . . . . . . . . 26710 3 17 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.779307932784 0.0318344859955 . . . . . . . . . . 26710 3 18 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.798992100195 0.0343849559759 . . . . . . . . . . 26710 3 19 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.804423702563 0.0384305742414 . . . . . . . . . . 26710 3 20 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.784824959942 0.0542202758584 . . . . . . . . . . 26710 3 21 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.746776276154 0.0315205391338 . . . . . . . . . . 26710 3 22 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.560185920983 0.0434478248049 . . . . . . . . . . 26710 3 23 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.61184488414 0.0372715335255 . . . . . . . . . . 26710 3 24 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.809305772345 0.0332255314511 . . . . . . . . . . 26710 3 25 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.769441771888 0.026538916291 . . . . . . . . . . 26710 3 26 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.602775466366 0.0292940773041 . . . . . . . . . . 26710 3 27 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.79442859524 0.0288037035993 . . . . . . . . . . 26710 3 28 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.765390561297 0.0350367195547 . . . . . . . . . . 26710 3 29 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.799362829403 0.0409812961375 . . . . . . . . . . 26710 3 30 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.836544181555 0.0534448511505 . . . . . . . . . . 26710 3 31 . 1 1 254 254 ARG N N 15 . 1 1 254 254 ARG H H 1 0.671021327592 0.0772756231783 . . . . . . . . . . 26710 3 32 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.681094082982 0.0518499907923 . . . . . . . . . . 26710 3 33 . 1 1 256 256 PHE N N 15 . 1 1 256 256 PHE H H 1 0.80325552185 0.0320263376345 . . . . . . . . . . 26710 3 34 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.882327648135 0.0306449673962 . . . . . . . . . . 26710 3 35 . 1 1 258 258 LYS N N 15 . 1 1 258 258 LYS H H 1 0.85965659448 0.0287729937213 . . . . . . . . . . 26710 3 36 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.821436705865 0.0343308953338 . . . . . . . . . . 26710 3 37 . 1 1 260 260 ALA N N 15 . 1 1 260 260 ALA H H 1 0.852582787701 0.0289739061492 . . . . . . . . . . 26710 3 38 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.82150353484 0.0377793433146 . . . . . . . . . . 26710 3 39 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.79336859275 0.0295176922845 . . . . . . . . . . 26710 3 40 . 1 1 266 266 SER N N 15 . 1 1 266 266 SER H H 1 0.754209037584 0.0253287862393 . . . . . . . . . . 26710 3 41 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.733223349306 0.0327426479981 . . . . . . . . . . 26710 3 42 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.787318995821 0.0465427852816 . . . . . . . . . . 26710 3 43 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.789248101392 0.0406883496759 . . . . . . . . . . 26710 3 44 . 1 1 271 271 ARG N N 15 . 1 1 271 271 ARG H H 1 0.816272507266 0.0448967867573 . . . . . . . . . . 26710 3 45 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.795591823241 0.0394297427827 . . . . . . . . . . 26710 3 46 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.795385850364 0.0339553626302 . . . . . . . . . . 26710 3 47 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.857457867906 0.0361571171695 . . . . . . . . . . 26710 3 48 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.788776914028 0.0314070174467 . . . . . . . . . . 26710 3 49 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.791178353217 0.0301341303911 . . . . . . . . . . 26710 3 50 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.861015414375 0.0311216721079 . . . . . . . . . . 26710 3 51 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.77267884395 0.0406717263833 . . . . . . . . . . 26710 3 52 . 1 1 281 281 LEU N N 15 . 1 1 281 281 LEU H H 1 0.619576477754 0.0290029671973 . . . . . . . . . . 26710 3 53 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.766985696544 0.0326468972856 . . . . . . . . . . 26710 3 54 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.664353081648 0.0303246497213 . . . . . . . . . . 26710 3 55 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.23446047371 0.020106659539 . . . . . . . . . . 26710 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_750.46_MHz_hetNOE_b2m_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_b2m_2 _Heteronucl_NOE_list.Entry_ID 26710 _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 . 26710 4 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26710 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 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.716008325258 0.0489473427942 . . . . . . . . . . 26710 4 2 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.859939069566 0.0520750205789 . . . . . . . . . . 26710 4 3 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.722570088831 0.0687465009887 . . . . . . . . . . 26710 4 4 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.621826147464 0.0522415249569 . . . . . . . . . . 26710 4 5 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.563562303837 0.12079254802 . . . . . . . . . . 26710 4 6 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.745306823058 0.0514296022531 . . . . . . . . . . 26710 4 7 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.862194595373 0.0451838915662 . . . . . . . . . . 26710 4 8 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.707135457303 0.0456538359735 . . . . . . . . . . 26710 4 9 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.814692504719 0.0544667503075 . . . . . . . . . . 26710 4 10 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.808821477036 0.0457842296729 . . . . . . . . . . 26710 4 11 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.698790387682 0.0497838078968 . . . . . . . . . . 26710 4 12 . 1 1 224 224 TYR N N 15 . 1 1 224 224 TYR H H 1 0.804353367445 0.0468356217761 . . . . . . . . . . 26710 4 13 . 1 1 227 227 GLU N N 15 . 1 1 227 227 GLU H H 1 0.756727990692 0.0359668586548 . . . . . . . . . . 26710 4 14 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.873243213104 0.0401241407124 . . . . . . . . . . 26710 4 15 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.668986265801 0.0411544507772 . . . . . . . . . . 26710 4 16 . 1 1 232 232 TRP N N 15 . 1 1 232 232 TRP H H 1 0.742054353276 0.0467376818764 . . . . . . . . . . 26710 4 17 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.767317672158 0.0562034774873 . . . . . . . . . . 26710 4 18 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.754570881938 0.0512946743104 . . . . . . . . . . 26710 4 19 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.669599243921 0.0566018857816 . . . . . . . . . . 26710 4 20 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.626549240249 0.0603983342367 . . . . . . . . . . 26710 4 21 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.675012007171 0.0447863020486 . . . . . . . . . . 26710 4 22 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.643938541753 0.0726731793735 . . . . . . . . . . 26710 4 23 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.59482422103 0.045854888295 . . . . . . . . . . 26710 4 24 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.7538862584 0.0496408123694 . . . . . . . . . . 26710 4 25 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.855243961826 0.0518474383414 . . . . . . . . . . 26710 4 26 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.569201789521 0.0429853540142 . . . . . . . . . . 26710 4 27 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.798668932004 0.0426819792656 . . . . . . . . . . 26710 4 28 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.813711350782 0.0554650857478 . . . . . . . . . . 26710 4 29 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.864770238033 0.0581915773736 . . . . . . . . . . 26710 4 30 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.83045844963 0.08080392229 . . . . . . . . . . 26710 4 31 . 1 1 254 254 ARG N N 15 . 1 1 254 254 ARG H H 1 0.836521142407 0.114853068267 . . . . . . . . . . 26710 4 32 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.700098688472 0.0774791966142 . . . . . . . . . . 26710 4 33 . 1 1 256 256 PHE N N 15 . 1 1 256 256 PHE H H 1 0.787278667618 0.045684286433 . . . . . . . . . . 26710 4 34 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.81260534581 0.0461094107192 . . . . . . . . . . 26710 4 35 . 1 1 258 258 LYS N N 15 . 1 1 258 258 LYS H H 1 0.811208482132 0.0430047972695 . . . . . . . . . . 26710 4 36 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.902528324471 0.0595372865388 . . . . . . . . . . 26710 4 37 . 1 1 260 260 ALA N N 15 . 1 1 260 260 ALA H H 1 0.848600873133 0.0478226343398 . . . . . . . . . . 26710 4 38 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.822151338826 0.0712813697528 . . . . . . . . . . 26710 4 39 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.727890528343 0.0445840918527 . . . . . . . . . . 26710 4 40 . 1 1 266 266 SER N N 15 . 1 1 266 266 SER H H 1 0.71047514519 0.0418056937485 . . . . . . . . . . 26710 4 41 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.724898939537 0.0552034887583 . . . . . . . . . . 26710 4 42 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.907740392205 0.0743024887409 . . . . . . . . . . 26710 4 43 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.678790655857 0.0560418525603 . . . . . . . . . . 26710 4 44 . 1 1 271 271 ARG N N 15 . 1 1 271 271 ARG H H 1 0.75421971788 0.0554765464887 . . . . . . . . . . 26710 4 45 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.687639254241 0.0536290471986 . . . . . . . . . . 26710 4 46 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.953242758549 0.0629822301516 . . . . . . . . . . 26710 4 47 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.8595221269 0.0603306454085 . . . . . . . . . . 26710 4 48 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.841114079765 0.0509078542177 . . . . . . . . . . 26710 4 49 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.731203262158 0.0387965217032 . . . . . . . . . . 26710 4 50 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.787724179804 0.0462320467677 . . . . . . . . . . 26710 4 51 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.814866047972 0.0751367229056 . . . . . . . . . . 26710 4 52 . 1 1 281 281 LEU N N 15 . 1 1 281 281 LEU H H 1 0.571887871141 0.0416316854351 . . . . . . . . . . 26710 4 53 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.703603725504 0.0512501297347 . . . . . . . . . . 26710 4 54 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.719663829808 0.0504308359647 . . . . . . . . . . 26710 4 55 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.276253252094 0.0317726145546 . . . . . . . . . . 26710 4 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_hetNOE_top_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_hetNOE_top_1 _Heteronucl_NOE_list.Entry_ID 26710 _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 . 26710 5 7 '600.18 MHz R1' 1 $sample_1 . 26710 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 17 17 SER N N 15 . 1 1 17 17 SER H H 1 0.508228825866 0.0305594404625 . . . . . . . . . . 26710 5 2 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.801994526237 0.0364366761781 . . . . . . . . . . 26710 5 3 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 0.900343715301 0.0550892734914 . . . . . . . . . . 26710 5 4 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.862533110115 0.0421095042257 . . . . . . . . . . 26710 5 5 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.878283953216 0.0705347886932 . . . . . . . . . . 26710 5 6 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.62336301672 0.0267616565913 . . . . . . . . . . 26710 5 7 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.853804789406 0.0471638226603 . . . . . . . . . . 26710 5 8 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.838962824022 0.0425876723083 . . . . . . . . . . 26710 5 9 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.115168644326 0.158034426372 . . . . . . . . . . 26710 5 10 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.632828748628 0.0441752259204 . . . . . . . . . . 26710 5 11 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.875691605502 0.0626807124535 . . . . . . . . . . 26710 5 12 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.73908645325 0.0491038180194 . . . . . . . . . . 26710 5 13 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.818662407576 0.0291796503991 . . . . . . . . . . 26710 5 14 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.865048642595 0.0426653580106 . . . . . . . . . . 26710 5 15 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.879136062627 0.0524245169541 . . . . . . . . . . 26710 5 16 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.884761246592 0.057202978479 . . . . . . . . . . 26710 5 17 . 1 1 42 42 TYR N N 15 . 1 1 42 42 TYR H H 1 0.910233466918 0.0350254304056 . . . . . . . . . . 26710 5 18 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.834479293059 0.0322331062273 . . . . . . . . . . 26710 5 19 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.853833171628 0.0438987374064 . . . . . . . . . . 26710 5 20 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.884899997613 0.0461656035449 . . . . . . . . . . 26710 5 21 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.825599709028 0.0296018054569 . . . . . . . . . . 26710 5 22 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.884243745112 0.0728879129355 . . . . . . . . . . 26710 5 23 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.854034460647 0.0425579339556 . . . . . . . . . . 26710 5 24 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.889311102131 0.0549029182061 . . . . . . . . . . 26710 5 25 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.853427355331 0.0450985391371 . . . . . . . . . . 26710 5 26 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.765871345942 0.0363530804271 . . . . . . . . . . 26710 5 27 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.74803376347 0.0328984542117 . . . . . . . . . . 26710 5 28 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.100111742854 0.0243252177273 . . . . . . . . . . 26710 5 29 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.375343844306 0.0693268817884 . . . . . . . . . . 26710 5 30 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.336010474433 0.072442666887 . . . . . . . . . . 26710 5 31 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.873378564468 0.0572629906482 . . . . . . . . . . 26710 5 32 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.928287772648 0.0555822196077 . . . . . . . . . . 26710 5 33 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.858802811174 0.0473973903305 . . . . . . . . . . 26710 5 34 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.738979073899 0.0536221751978 . . . . . . . . . . 26710 5 35 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.877688557472 0.0349964783425 . . . . . . . . . . 26710 5 36 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.762445966619 0.0311090522741 . . . . . . . . . . 26710 5 37 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.825285344484 0.0527881232662 . . . . . . . . . . 26710 5 38 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.768828081106 0.0394928062035 . . . . . . . . . . 26710 5 39 . 1 1 75 75 TRP N N 15 . 1 1 75 75 TRP H H 1 0.80378866146 0.0546114346688 . . . . . . . . . . 26710 5 40 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 1.01826685267 0.080226128206 . . . . . . . . . . 26710 5 41 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.745222730603 0.0611658855987 . . . . . . . . . . 26710 5 42 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.743715045696 0.0616837898835 . . . . . . . . . . 26710 5 43 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.927925836402 0.240106712108 . . . . . . . . . . 26710 5 44 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.893842721366 0.096650434066 . . . . . . . . . . 26710 5 45 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.860161234172 0.0615786271971 . . . . . . . . . . 26710 5 46 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.937398897623 0.0816518437142 . . . . . . . . . . 26710 5 47 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.724129801519 0.0718284895243 . . . . . . . . . . 26710 5 48 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.873738256091 0.0665115621139 . . . . . . . . . . 26710 5 49 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.910589065496 0.0666967629285 . . . . . . . . . . 26710 5 50 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.868180755759 0.0501553008622 . . . . . . . . . . 26710 5 51 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.848828709422 0.0537372578132 . . . . . . . . . . 26710 5 52 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.846561164889 0.0432215646686 . . . . . . . . . . 26710 5 53 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.196446442059 0.144323019714 . . . . . . . . . . 26710 5 54 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.787597034238 0.0530865142821 . . . . . . . . . . 26710 5 55 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.779923578695 0.062823668352 . . . . . . . . . . 26710 5 56 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.914446659515 0.0781024996907 . . . . . . . . . . 26710 5 57 . 1 1 113 113 MET N N 15 . 1 1 113 113 MET H H 1 0.752293013949 0.070091811807 . . . . . . . . . . 26710 5 58 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.899731289552 0.0583994257315 . . . . . . . . . . 26710 5 59 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.776505081805 0.0513090749729 . . . . . . . . . . 26710 5 60 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.944196718434 0.047295497144 . . . . . . . . . . 26710 5 61 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.780725136835 0.0372129845313 . . . . . . . . . . 26710 5 62 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.765744015185 0.0328723799858 . . . . . . . . . . 26710 5 63 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.819268583209 0.0539897900117 . . . . . . . . . . 26710 5 64 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.777755943316 0.0593744365363 . . . . . . . . . . 26710 5 65 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.902708774731 0.0492784227127 . . . . . . . . . . 26710 5 66 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.769767996618 0.0490246921567 . . . . . . . . . . 26710 5 67 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.951977389812 0.0829784980847 . . . . . . . . . . 26710 5 68 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 1.00105791204 0.150011968237 . . . . . . . . . . 26710 5 69 . 1 1 136 136 LYS N N 15 . 1 1 136 136 LYS H H 1 0.911769710804 0.0597763725326 . . . . . . . . . . 26710 5 70 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.843915106558 0.0795294687399 . . . . . . . . . . 26710 5 71 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.885008967887 0.0685248898587 . . . . . . . . . . 26710 5 72 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.891244072991 0.0628681740793 . . . . . . . . . . 26710 5 73 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.879721389817 0.0398133827733 . . . . . . . . . . 26710 5 74 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.874198274073 0.0391476058385 . . . . . . . . . . 26710 5 75 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.585037428719 0.0523985439176 . . . . . . . . . . 26710 5 76 . 1 1 148 148 TRP N N 15 . 1 1 148 148 TRP H H 1 0.858361029444 0.0274394382803 . . . . . . . . . . 26710 5 77 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.833658441024 0.039717850457 . . . . . . . . . . 26710 5 78 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.776291382639 0.0333420719123 . . . . . . . . . . 26710 5 79 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.752080390696 0.0487160041871 . . . . . . . . . . 26710 5 80 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.706489012622 0.0351999052041 . . . . . . . . . . 26710 5 81 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.710565599267 0.0946965474913 . . . . . . . . . . 26710 5 82 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.763015304913 0.0481819305969 . . . . . . . . . . 26710 5 83 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.900994747572 0.0619430557727 . . . . . . . . . . 26710 5 84 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.823437414253 0.0804782277524 . . . . . . . . . . 26710 5 85 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.871403039098 0.0633616284692 . . . . . . . . . . 26710 5 86 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.819169991058 0.0409848984037 . . . . . . . . . . 26710 5 87 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.855411445295 0.0651347740573 . . . . . . . . . . 26710 5 88 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.823772951814 0.0615345457859 . . . . . . . . . . 26710 5 89 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.859996637522 0.0544636351452 . . . . . . . . . . 26710 5 90 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.67732687876 0.0857549949263 . . . . . . . . . . 26710 5 91 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.745888938041 0.0659236726653 . . . . . . . . . . 26710 5 92 . 1 1 169 169 GLU N N 15 . 1 1 169 169 GLU H H 1 0.703785583061 0.0548534992983 . . . . . . . . . . 26710 5 93 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 1.77030510318 0.67500061085 . . . . . . . . . . 26710 5 94 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.831006821194 0.0851078983266 . . . . . . . . . . 26710 5 95 . 1 1 174 174 TYR N N 15 . 1 1 174 174 TYR H H 1 0.858837205758 0.0487683620545 . . . . . . . . . . 26710 5 96 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.790630978337 0.0745257257637 . . . . . . . . . . 26710 5 97 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.817728278285 0.0403182262763 . . . . . . . . . . 26710 5 98 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.777002965615 0.0452977374761 . . . . . . . . . . 26710 5 99 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.839871342403 0.050388484244 . . . . . . . . . . 26710 5 100 . 1 1 181 181 GLU N N 15 . 1 1 181 181 GLU H H 1 0.95090109999 0.0525883120872 . . . . . . . . . . 26710 5 101 . 1 1 183 183 LEU N N 15 . 1 1 183 183 LEU H H 1 0.84843201664 0.0423445852601 . . . . . . . . . . 26710 5 102 . 1 1 184 184 ARG N N 15 . 1 1 184 184 ARG H H 1 0.830478367369 0.0573430617888 . . . . . . . . . . 26710 5 103 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.833250348536 0.0654337318393 . . . . . . . . . . 26710 5 104 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.771621054862 0.0388225289085 . . . . . . . . . . 26710 5 105 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.782057713951 0.0412544430628 . . . . . . . . . . 26710 5 106 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.772983463828 0.0658153931719 . . . . . . . . . . 26710 5 107 . 1 1 194 194 LEU N N 15 . 1 1 194 194 LEU H H 1 0.683180437197 0.0554179616443 . . . . . . . . . . 26710 5 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_750.46_MHz_hetNOE_top_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_hetNOE_top_2 _Heteronucl_NOE_list.Entry_ID 26710 _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 . 26710 6 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26710 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 17 17 SER N N 15 . 1 1 17 17 SER H H 1 0.522636300805 0.0421716450901 . . . . . . . . . . 26710 6 2 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.908933934262 0.0639966489097 . . . . . . . . . . 26710 6 3 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 0.941327107365 0.0750737268171 . . . . . . . . . . 26710 6 4 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.81221754745 0.0624431542348 . . . . . . . . . . 26710 6 5 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.7672848165 0.0859140467415 . . . . . . . . . . 26710 6 6 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.694607397872 0.037135426225 . . . . . . . . . . 26710 6 7 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.821660534216 0.0645510916209 . . . . . . . . . . 26710 6 8 . 1 1 29 29 ARG N N 15 . 1 1 29 29 ARG H H 1 0.749433388183 0.0600452605548 . . . . . . . . . . 26710 6 9 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.614405017074 0.158141348914 . . . . . . . . . . 26710 6 10 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.652714905335 0.0612793089273 . . . . . . . . . . 26710 6 11 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.668325245498 0.086657100933 . . . . . . . . . . 26710 6 12 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.756467679999 0.0767378818647 . . . . . . . . . . 26710 6 13 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.806979418177 0.0418345200792 . . . . . . . . . . 26710 6 14 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.839935198224 0.0707102899895 . . . . . . . . . . 26710 6 15 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.753830986049 0.0824794177747 . . . . . . . . . . 26710 6 16 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.91328776476 0.0940060272116 . . . . . . . . . . 26710 6 17 . 1 1 42 42 TYR N N 15 . 1 1 42 42 TYR H H 1 0.863006032824 0.0509419850546 . . . . . . . . . . 26710 6 18 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.773082389808 0.0478201004375 . . . . . . . . . . 26710 6 19 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.833901599679 0.0644225944893 . . . . . . . . . . 26710 6 20 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.87346678068 0.0734679791819 . . . . . . . . . . 26710 6 21 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.743371615351 0.0465834970934 . . . . . . . . . . 26710 6 22 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.950934875656 0.102142565168 . . . . . . . . . . 26710 6 23 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.823524177159 0.0614196363248 . . . . . . . . . . 26710 6 24 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.82968774047 0.0808191047535 . . . . . . . . . . 26710 6 25 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.787925025418 0.06250846251 . . . . . . . . . . 26710 6 26 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.80112189265 0.0612240888034 . . . . . . . . . . 26710 6 27 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.754294819276 0.0474097761877 . . . . . . . . . . 26710 6 28 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.223996387649 0.0364136320172 . . . . . . . . . . 26710 6 29 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.243099596458 0.0730295522893 . . . . . . . . . . 26710 6 30 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.447134108417 0.0875773590669 . . . . . . . . . . 26710 6 31 . 1 1 63 63 ARG N N 15 . 1 1 63 63 ARG H H 1 0.707798598291 0.0690089226196 . . . . . . . . . . 26710 6 32 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.76260217732 0.0696952442933 . . . . . . . . . . 26710 6 33 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.81156296712 0.062357925163 . . . . . . . . . . 26710 6 34 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.859593982522 0.082158657729 . . . . . . . . . . 26710 6 35 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.781065700579 0.049581274272 . . . . . . . . . . 26710 6 36 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.816885301136 0.0534733620588 . . . . . . . . . . 26710 6 37 . 1 1 73 73 GLU N N 15 . 1 1 73 73 GLU H H 1 0.704042036261 0.070027364276 . . . . . . . . . . 26710 6 38 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.727838876128 0.0528591797401 . . . . . . . . . . 26710 6 39 . 1 1 75 75 TRP N N 15 . 1 1 75 75 TRP H H 1 0.837962464658 0.0811357908615 . . . . . . . . . . 26710 6 40 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.632644103438 0.0747193149581 . . . . . . . . . . 26710 6 41 . 1 1 78 78 GLU N N 15 . 1 1 78 78 GLU H H 1 0.872099836535 0.0957104339805 . . . . . . . . . . 26710 6 42 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.759691172661 0.106452725594 . . . . . . . . . . 26710 6 43 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 1.09767630629 0.410176483925 . . . . . . . . . . 26710 6 44 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.930821313077 0.139548923861 . . . . . . . . . . 26710 6 45 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.791293610002 0.0869376200405 . . . . . . . . . . 26710 6 46 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.763115273981 0.0890548768458 . . . . . . . . . . 26710 6 47 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.792974716663 0.114637487449 . . . . . . . . . . 26710 6 48 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.692392190899 0.0805372828081 . . . . . . . . . . 26710 6 49 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.784733141393 0.0840875426432 . . . . . . . . . . 26710 6 50 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.833728959987 0.0738006523674 . . . . . . . . . . 26710 6 51 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.997287275833 0.0877058476039 . . . . . . . . . . 26710 6 52 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.843351720538 0.0616220005639 . . . . . . . . . . 26710 6 53 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.282257869785 0.130468322225 . . . . . . . . . . 26710 6 54 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.841412821257 0.0901409175265 . . . . . . . . . . 26710 6 55 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.593207875473 0.0852809043384 . . . . . . . . . . 26710 6 56 . 1 1 112 112 ASN N N 15 . 1 1 112 112 ASN H H 1 0.834115140433 0.104335753274 . . . . . . . . . . 26710 6 57 . 1 1 113 113 MET N N 15 . 1 1 113 113 MET H H 1 1.08297844395 0.163433525263 . . . . . . . . . . 26710 6 58 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.890782712757 0.084281845535 . . . . . . . . . . 26710 6 59 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.711166476432 0.0716193583519 . . . . . . . . . . 26710 6 60 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.718611313049 0.0551466494232 . . . . . . . . . . 26710 6 61 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.873151786729 0.0590294096669 . . . . . . . . . . 26710 6 62 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.771298214844 0.0545769700274 . . . . . . . . . . 26710 6 63 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.795098273268 0.0803169455797 . . . . . . . . . . 26710 6 64 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.77536625915 0.0837535732428 . . . . . . . . . . 26710 6 65 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.852052643082 0.0744544649028 . . . . . . . . . . 26710 6 66 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.894225235689 0.0868941617323 . . . . . . . . . . 26710 6 67 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.794093644634 0.117801612763 . . . . . . . . . . 26710 6 68 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.789850724191 0.173383155811 . . . . . . . . . . 26710 6 69 . 1 1 136 136 LYS N N 15 . 1 1 136 136 LYS H H 1 0.812626165874 0.0783959294464 . . . . . . . . . . 26710 6 70 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.771908188654 0.0917253194751 . . . . . . . . . . 26710 6 71 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.797282970785 0.0925915128236 . . . . . . . . . . 26710 6 72 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.841995280517 0.0749956354528 . . . . . . . . . . 26710 6 73 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.786499249777 0.0451417783842 . . . . . . . . . . 26710 6 74 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.85520217181 0.0626350812328 . . . . . . . . . . 26710 6 75 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.573177385764 0.0712590650225 . . . . . . . . . . 26710 6 76 . 1 1 148 148 TRP N N 15 . 1 1 148 148 TRP H H 1 0.812206717103 0.0415222077933 . . . . . . . . . . 26710 6 77 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.796708617655 0.0564390210935 . . . . . . . . . . 26710 6 78 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.693187687975 0.0497600990241 . . . . . . . . . . 26710 6 79 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.73662994908 0.0716429809123 . . . . . . . . . . 26710 6 80 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.821528787066 0.0562937833768 . . . . . . . . . . 26710 6 81 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.728390205619 0.113236950878 . . . . . . . . . . 26710 6 82 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.664778343069 0.0618151507065 . . . . . . . . . . 26710 6 83 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.746012585361 0.0756696340982 . . . . . . . . . . 26710 6 84 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.722877672372 0.103631854815 . . . . . . . . . . 26710 6 85 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.755695924397 0.0736694404144 . . . . . . . . . . 26710 6 86 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.730260844489 0.0550447251445 . . . . . . . . . . 26710 6 87 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.819593617383 0.0929146280155 . . . . . . . . . . 26710 6 88 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.871031503583 0.0842653063385 . . . . . . . . . . 26710 6 89 . 1 1 166 166 ARG N N 15 . 1 1 166 166 ARG H H 1 0.813521621654 0.0753005766047 . . . . . . . . . . 26710 6 90 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.831252445251 0.135068960494 . . . . . . . . . . 26710 6 91 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.883773547892 0.126993963825 . . . . . . . . . . 26710 6 92 . 1 1 169 169 GLU N N 15 . 1 1 169 169 GLU H H 1 0.755703880272 0.102230973313 . . . . . . . . . . 26710 6 93 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.110307836906 0.228205481217 . . . . . . . . . . 26710 6 94 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.895414908476 0.120301555913 . . . . . . . . . . 26710 6 95 . 1 1 174 174 TYR N N 15 . 1 1 174 174 TYR H H 1 0.761415676333 0.0621968040448 . . . . . . . . . . 26710 6 96 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.664578017376 0.0896172189987 . . . . . . . . . . 26710 6 97 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.769509438954 0.0537052014771 . . . . . . . . . . 26710 6 98 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.832193021113 0.084407832016 . . . . . . . . . . 26710 6 99 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.786446246494 0.0712205295129 . . . . . . . . . . 26710 6 100 . 1 1 181 181 GLU N N 15 . 1 1 181 181 GLU H H 1 0.659629318303 0.0586242633408 . . . . . . . . . . 26710 6 101 . 1 1 183 183 LEU N N 15 . 1 1 183 183 LEU H H 1 0.899799546357 0.0588669508943 . . . . . . . . . . 26710 6 102 . 1 1 184 184 ARG N N 15 . 1 1 184 184 ARG H H 1 0.966120778755 0.103946074781 . . . . . . . . . . 26710 6 103 . 1 1 190 190 GLY N N 15 . 1 1 190 190 GLY H H 1 0.697959298143 0.102601323144 . . . . . . . . . . 26710 6 104 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.781136271326 0.0572173337096 . . . . . . . . . . 26710 6 105 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.725092092948 0.0590933412543 . . . . . . . . . . 26710 6 106 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.750024866793 0.0861293505874 . . . . . . . . . . 26710 6 107 . 1 1 194 194 LEU N N 15 . 1 1 194 194 LEU H H 1 0.795634599147 0.0887392052392 . . . . . . . . . . 26710 6 stop_ save_