############################## # Heteronuclear NOE values # ############################## save_GdHCl1M_heteronuclear_noe_list _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode GdHCl1M_heteronuclear_noe_list _Heteronucl_NOE_list.Entry_ID 25255 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 2 _Heteronucl_NOE_list.Sample_condition_list_label $25C_pH6_highIS _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 20000000 _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 33 'gNNOE (N15-NOE (TROSY))' . . . 25255 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 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 -0.382037222 0.0428525214 . . . . . . . . . . 25255 1 2 . 1 1 4 4 THR N N 15 . 1 1 4 4 THR H H 1 -0.1116243999 0.0559084066 . . . . . . . . . . 25255 1 3 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 -0.001530525 0.0651824182 . . . . . . . . . . 25255 1 4 . 1 1 6 6 TRP N N 15 . 1 1 6 6 TRP H H 1 -0.0342308043 0.0659232959 . . . . . . . . . . 25255 1 5 . 1 1 7 7 LYS N N 15 . 1 1 7 7 LYS H H 1 0.2220489304 0.1090590548 . . . . . . . . . . 25255 1 6 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.0312300899 0.0488465269 . . . . . . . . . . 25255 1 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 -0.003890992 0.0281650206 . . . . . . . . . . 25255 1 8 . 1 1 11 11 VAL N N 15 . 1 1 11 11 VAL H H 1 0.1039616921 0.0503236158 . . . . . . . . . . 25255 1 9 . 1 1 12 12 THR N N 15 . 1 1 12 12 THR H H 1 0.0129630603 0.0564826626 . . . . . . . . . . 25255 1 10 . 1 1 13 13 ILE N N 15 . 1 1 13 13 ILE H H 1 0.3574092757 0.0374309073 . . . . . . . . . . 25255 1 11 . 1 1 14 14 ARG N N 15 . 1 1 14 14 ARG H H 1 0.1054186556 0.0527315158 . . . . . . . . . . 25255 1 12 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 -0.0703529569 0.0430557276 . . . . . . . . . . 25255 1 13 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.1414775616 0.0625289287 . . . . . . . . . . 25255 1 14 . 1 1 17 17 GLY N N 15 . 1 1 17 17 GLY H H 1 -0.0239205141 0.0649757148 . . . . . . . . . . 25255 1 15 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.0481117534 0.0489585905 . . . . . . . . . . 25255 1 16 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 -0.0819395133 0.0497475291 . . . . . . . . . . 25255 1 17 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 -0.0014947423 0.0529332672 . . . . . . . . . . 25255 1 18 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.0467906484 0.04342071 . . . . . . . . . . 25255 1 19 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.2064806019 0.0547781934 . . . . . . . . . . 25255 1 20 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.1987852369 0.0509221073 . . . . . . . . . . 25255 1 21 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.0861736554 0.0499266752 . . . . . . . . . . 25255 1 22 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.2137212204 0.0604813811 . . . . . . . . . . 25255 1 23 . 1 1 26 26 THR N N 15 . 1 1 26 26 THR H H 1 0.0450197658 0.0569962372 . . . . . . . . . . 25255 1 24 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.1944530304 0.0460001325 . . . . . . . . . . 25255 1 25 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.1848225432 0.0425737988 . . . . . . . . . . 25255 1 26 . 1 1 29 29 ASP N N 15 . 1 1 29 29 ASP H H 1 -0.1175177549 0.0432018574 . . . . . . . . . . 25255 1 27 . 1 1 30 30 ASP N N 15 . 1 1 30 30 ASP H H 1 0.0128050063 0.0423339155 . . . . . . . . . . 25255 1 28 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.3227056899 0.0457128143 . . . . . . . . . . 25255 1 29 . 1 1 32 32 VAL N N 15 . 1 1 32 32 VAL H H 1 0.0857117705 0.0471911524 . . . . . . . . . . 25255 1 30 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.1818557617 0.06269443 . . . . . . . . . . 25255 1 31 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.0541186375 0.0415892104 . . . . . . . . . . 25255 1 32 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.0348583434 0.0385394257 . . . . . . . . . . 25255 1 33 . 1 1 36 36 MET N N 15 . 1 1 36 36 MET H H 1 0.0933469942 0.06169721 . . . . . . . . . . 25255 1 34 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.2150150211 0.0773135289 . . . . . . . . . . 25255 1 35 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 -0.0685489779 0.0633522899 . . . . . . . . . . 25255 1 36 . 1 1 40 40 GLY N N 15 . 1 1 40 40 GLY H H 1 0.0910123514 0.055322269 . . . . . . . . . . 25255 1 37 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.0405379796 0.0562036948 . . . . . . . . . . 25255 1 38 . 1 1 42 42 TRP N N 15 . 1 1 42 42 TRP H H 1 0.2184921719 0.0329366877 . . . . . . . . . . 25255 1 39 . 1 1 43 43 LYS N N 15 . 1 1 43 43 LYS H H 1 0.1278098454 0.0905947529 . . . . . . . . . . 25255 1 40 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 0.0411687656 0.0390618135 . . . . . . . . . . 25255 1 41 . 1 1 46 46 MET N N 15 . 1 1 46 46 MET H H 1 -0.069128957 0.0594154408 . . . . . . . . . . 25255 1 42 . 1 1 47 47 ILE N N 15 . 1 1 47 47 ILE H H 1 0.1913772128 0.0506746819 . . . . . . . . . . 25255 1 43 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.1709028964 0.054263403 . . . . . . . . . . 25255 1 44 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.1048541354 0.0508283955 . . . . . . . . . . 25255 1 45 . 1 1 50 50 ILE N N 15 . 1 1 50 50 ILE H H 1 0.0229289906 0.0446251254 . . . . . . . . . . 25255 1 46 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.0827794058 0.044394405 . . . . . . . . . . 25255 1 47 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.2054502081 0.0732586086 . . . . . . . . . . 25255 1 48 . 1 1 53 53 PHE N N 15 . 1 1 53 53 PHE H H 1 0.0295835224 0.0571893078 . . . . . . . . . . 25255 1 49 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.0815466378 0.066946993 . . . . . . . . . . 25255 1 50 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 -0.0373391107 0.047582335 . . . . . . . . . . 25255 1 51 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.2189932687 0.0519815613 . . . . . . . . . . 25255 1 52 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.1672012421 0.049782698 . . . . . . . . . . 25255 1 53 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.069317825 0.0478502883 . . . . . . . . . . 25255 1 54 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 0.4212686127 0.0324451843 . . . . . . . . . . 25255 1 55 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.2374680321 0.054274237 . . . . . . . . . . 25255 1 56 . 1 1 61 61 GLN N N 15 . 1 1 61 61 GLN H H 1 0.1756257946 0.0580681339 . . . . . . . . . . 25255 1 57 . 1 1 62 62 ILE N N 15 . 1 1 62 62 ILE H H 1 0.2068115098 0.031388569 . . . . . . . . . . 25255 1 58 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.3065718664 0.0347314805 . . . . . . . . . . 25255 1 59 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.2837065752 0.0508053356 . . . . . . . . . . 25255 1 60 . 1 1 66 66 ILE N N 15 . 1 1 66 66 ILE H H 1 0.2135058708 0.0337585161 . . . . . . . . . . 25255 1 61 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 -0.0116486428 0.0567069109 . . . . . . . . . . 25255 1 62 . 1 1 68 68 GLY N N 15 . 1 1 68 68 GLY H H 1 0.0678831874 0.0657268473 . . . . . . . . . . 25255 1 63 . 1 1 69 69 HIS N N 15 . 1 1 69 69 HIS H H 1 0.2089365568 0.0861202064 . . . . . . . . . . 25255 1 64 . 1 1 70 70 LYS N N 15 . 1 1 70 70 LYS H H 1 0.0124159618 0.0288999279 . . . . . . . . . . 25255 1 65 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.0113377373 0.0490427394 . . . . . . . . . . 25255 1 66 . 1 1 72 72 ILE N N 15 . 1 1 72 72 ILE H H 1 0.2155470619 0.0346455234 . . . . . . . . . . 25255 1 67 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.2487402473 0.0533221154 . . . . . . . . . . 25255 1 68 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 -0.0337547121 0.0548550113 . . . . . . . . . . 25255 1 69 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.2512685709 0.0468747344 . . . . . . . . . . 25255 1 70 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 -0.0617937574 0.0442295274 . . . . . . . . . . 25255 1 71 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 -0.0470332077 0.0507247686 . . . . . . . . . . 25255 1 72 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 -0.1200793378 0.0473004032 . . . . . . . . . . 25255 1 73 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 -0.2063869747 0.0535103714 . . . . . . . . . . 25255 1 74 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.3329499821 0.0441932437 . . . . . . . . . . 25255 1 75 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.2261153976 0.058688622 . . . . . . . . . . 25255 1 76 . 1 1 84 84 ILE N N 15 . 1 1 84 84 ILE H H 1 -0.1564893803 0.0527877695 . . . . . . . . . . 25255 1 77 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.348655737 0.0519277033 . . . . . . . . . . 25255 1 78 . 1 1 86 86 GLY N N 15 . 1 1 86 86 GLY H H 1 0.279345098 0.0552337839 . . . . . . . . . . 25255 1 79 . 1 1 87 87 ARG N N 15 . 1 1 87 87 ARG H H 1 0.2388797964 0.0253400771 . . . . . . . . . . 25255 1 80 . 1 1 88 88 ASN N N 15 . 1 1 88 88 ASN H H 1 0.0982026474 0.0682286511 . . . . . . . . . . 25255 1 81 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.1710541657 0.0289645915 . . . . . . . . . . 25255 1 82 . 1 1 90 90 LEU N N 15 . 1 1 90 90 LEU H H 1 0.1254620834 0.0499347731 . . . . . . . . . . 25255 1 83 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 -0.0436707783 0.051987356 . . . . . . . . . . 25255 1 84 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 -0.2510212853 0.057673185 . . . . . . . . . . 25255 1 85 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.253109927 0.0499489748 . . . . . . . . . . 25255 1 86 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 -0.1596231647 0.0500005931 . . . . . . . . . . 25255 1 87 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 -0.4255400176 0.045293613 . . . . . . . . . . 25255 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_Urea4M_heteronuclear_noe_list _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode Urea4M_heteronuclear_noe_list _Heteronucl_NOE_list.Entry_ID 25255 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $25C_pH6_lowIS _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 20000000 _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 31 'gNNOE (N15-NOE (TROSY))' . . . 25255 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 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 -0.36 0.0346581186 . . . . . . . . . . 25255 2 2 . 1 1 4 4 THR N N 15 . 1 1 4 4 THR H H 1 0.1964285714 0.0207435214 . . . . . . . . . . 25255 2 3 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 -0.1234285714 0.0313314172 . . . . . . . . . . 25255 2 4 . 1 1 6 6 TRP N N 15 . 1 1 6 6 TRP H H 1 0.0579207921 0.0262866861 . . . . . . . . . . 25255 2 5 . 1 1 7 7 LYS N N 15 . 1 1 7 7 LYS H H 1 0.1050742574 0.0335552145 . . . . . . . . . . 25255 2 6 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.2675675676 0.0210778378 . . . . . . . . . . 25255 2 7 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.3151515152 0.0332282949 . . . . . . . . . . 25255 2 8 . 1 1 11 11 VAL N N 15 . 1 1 11 11 VAL H H 1 0.2433070866 0.0239403209 . . . . . . . . . . 25255 2 9 . 1 1 13 13 ILE N N 15 . 1 1 13 13 ILE H H 1 0.2152046784 0.0172862178 . . . . . . . . . . 25255 2 10 . 1 1 14 14 ARG N N 15 . 1 1 14 14 ARG H H 1 -0.4186868687 0.0187675028 . . . . . . . . . . 25255 2 11 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 0.1072727273 0.0123392898 . . . . . . . . . . 25255 2 12 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.3111111111 0.0303189499 . . . . . . . . . . 25255 2 13 . 1 1 17 17 GLY N N 15 . 1 1 17 17 GLY H H 1 0.1309352518 0.0198212627 . . . . . . . . . . 25255 2 14 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.1351724138 0.0190564701 . . . . . . . . . . 25255 2 15 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.1207885305 0.0098095782 . . . . . . . . . . 25255 2 16 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.1307692308 0.0176592662 . . . . . . . . . . 25255 2 17 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.181920904 0.0161960452 . . . . . . . . . . 25255 2 18 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.202484472 0.0181391211 . . . . . . . . . . 25255 2 19 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.11625 0.0170570928 . . . . . . . . . . 25255 2 20 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.1691358025 0.0175046763 . . . . . . . . . . 25255 2 21 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.1378205128 0.0177456792 . . . . . . . . . . 25255 2 22 . 1 1 26 26 THR N N 15 . 1 1 26 26 THR H H 1 0.1344370861 0.0182899173 . . . . . . . . . . 25255 2 23 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.2386206897 0.0208674772 . . . . . . . . . . 25255 2 24 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.1676646707 0.016960006 . . . . . . . . . . 25255 2 25 . 1 1 29 29 ASP N N 15 . 1 1 29 29 ASP H H 1 0.1457711443 0.0138521872 . . . . . . . . . . 25255 2 26 . 1 1 30 30 ASP N N 15 . 1 1 30 30 ASP H H 1 0.219047619 0.0176608317 . . . . . . . . . . 25255 2 27 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.2842767296 0.0199817008 . . . . . . . . . . 25255 2 28 . 1 1 32 32 VAL N N 15 . 1 1 32 32 VAL H H 1 0.295620438 0.0234856338 . . . . . . . . . . 25255 2 29 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.3210526316 0.0290522674 . . . . . . . . . . 25255 2 30 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.2878571429 0.0227838502 . . . . . . . . . . 25255 2 31 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.2242990654 0.0309699293 . . . . . . . . . . 25255 2 32 . 1 1 36 36 MET N N 15 . 1 1 36 36 MET H H 1 0.3371134021 0.0347846602 . . . . . . . . . . 25255 2 33 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.1691810345 0.0305588754 . . . . . . . . . . 25255 2 34 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.1972789116 0.0197711437 . . . . . . . . . . 25255 2 35 . 1 1 40 40 GLY N N 15 . 1 1 40 40 GLY H H 1 0.2470588235 0.0299244262 . . . . . . . . . . 25255 2 36 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.4272634791 0.0381907265 . . . . . . . . . . 25255 2 37 . 1 1 42 42 TRP N N 15 . 1 1 42 42 TRP H H 1 0.2663865546 0.0261810415 . . . . . . . . . . 25255 2 38 . 1 1 43 43 LYS N N 15 . 1 1 43 43 LYS H H 1 0.3299319728 0.0379375142 . . . . . . . . . . 25255 2 39 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 0.2165413534 0.0222539728 . . . . . . . . . . 25255 2 40 . 1 1 46 46 MET N N 15 . 1 1 46 46 MET H H 1 0.179144385 0.015293143 . . . . . . . . . . 25255 2 41 . 1 1 47 47 ILE N N 15 . 1 1 47 47 ILE H H 1 0.1078571429 0.0193968141 . . . . . . . . . . 25255 2 42 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.1251748252 0.0191930762 . . . . . . . . . . 25255 2 43 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 1.84E-005 0.0200763359 . . . . . . . . . . 25255 2 44 . 1 1 50 50 ILE N N 15 . 1 1 50 50 ILE H H 1 -0.0734693878 0.0181635217 . . . . . . . . . . 25255 2 45 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.049858156 0.0187837859 . . . . . . . . . . 25255 2 46 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.0087969925 0.0197787844 . . . . . . . . . . 25255 2 47 . 1 1 53 53 PHE N N 15 . 1 1 53 53 PHE H H 1 0.1163398693 0.0178384666 . . . . . . . . . . 25255 2 48 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.1787610619 0.0252997753 . . . . . . . . . . 25255 2 49 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.176056338 0.0200863985 . . . . . . . . . . 25255 2 50 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.1239316239 0.0234392398 . . . . . . . . . . 25255 2 51 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.2316176471 0.0220905516 . . . . . . . . . . 25255 2 52 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.2316455696 0.0190151876 . . . . . . . . . . 25255 2 53 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 0.2197080292 0.0216710858 . . . . . . . . . . 25255 2 54 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.2368421053 0.0227089142 . . . . . . . . . . 25255 2 55 . 1 1 61 61 GLN N N 15 . 1 1 61 61 GLN H H 1 -0.1990196078 0.028539411 . . . . . . . . . . 25255 2 56 . 1 1 62 62 ILE N N 15 . 1 1 62 62 ILE H H 1 0.2717557252 0.0239215301 . . . . . . . . . . 25255 2 57 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.125095057 0.0104352354 . . . . . . . . . . 25255 2 58 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.2105263158 0.0193596635 . . . . . . . . . . 25255 2 59 . 1 1 66 66 ILE N N 15 . 1 1 66 66 ILE H H 1 0.2097014925 0.0219429301 . . . . . . . . . . 25255 2 60 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.0985915493 0.0190258609 . . . . . . . . . . 25255 2 61 . 1 1 68 68 GLY N N 15 . 1 1 68 68 GLY H H 1 0.0560902256 0.0199504486 . . . . . . . . . . 25255 2 62 . 1 1 69 69 HIS N N 15 . 1 1 69 69 HIS H H 1 0.0568831169 0.0344684825 . . . . . . . . . . 25255 2 63 . 1 1 70 70 LYS N N 15 . 1 1 70 70 LYS H H 1 0.0330392157 0.0258641751 . . . . . . . . . . 25255 2 64 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.0160283688 0.0186660952 . . . . . . . . . . 25255 2 65 . 1 1 72 72 ILE N N 15 . 1 1 72 72 ILE H H 1 0.1731818182 0.012933372 . . . . . . . . . . 25255 2 66 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.0351094891 0.0192642107 . . . . . . . . . . 25255 2 67 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.0966666667 0.0179929087 . . . . . . . . . . 25255 2 68 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.0346405229 0.0172480603 . . . . . . . . . . 25255 2 69 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 -0.07875 0.0167246793 . . . . . . . . . . 25255 2 70 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.0067567568 0.0177725756 . . . . . . . . . . 25255 2 71 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.0896551724 0.0185476204 . . . . . . . . . . 25255 2 72 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 -0.0459119497 0.0166396695 . . . . . . . . . . 25255 2 73 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.1988372093 0.0169216853 . . . . . . . . . . 25255 2 74 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.122556391 0.0206012053 . . . . . . . . . . 25255 2 75 . 1 1 84 84 ILE N N 15 . 1 1 84 84 ILE H H 1 0.1614173228 0.0221891095 . . . . . . . . . . 25255 2 76 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.2281690141 0.0210839623 . . . . . . . . . . 25255 2 77 . 1 1 86 86 GLY N N 15 . 1 1 86 86 GLY H H 1 0.1172661871 0.0196463555 . . . . . . . . . . 25255 2 78 . 1 1 87 87 ARG N N 15 . 1 1 87 87 ARG H H 1 0.159602649 0.0186354341 . . . . . . . . . . 25255 2 79 . 1 1 88 88 ASN N N 15 . 1 1 88 88 ASN H H 1 0.110483871 0.0219330825 . . . . . . . . . . 25255 2 80 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.0473626374 0.0145423768 . . . . . . . . . . 25255 2 81 . 1 1 90 90 LEU N N 15 . 1 1 90 90 LEU H H 1 0.062962963 0.0164164453 . . . . . . . . . . 25255 2 82 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 -0.0714285714 0.0190561416 . . . . . . . . . . 25255 2 83 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 -0.1566037736 0.0176560929 . . . . . . . . . . 25255 2 84 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 -0.3722222222 0.0195344568 . . . . . . . . . . 25255 2 85 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.0272392638 0.016168955 . . . . . . . . . . 25255 2 86 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 -1.1978021978 0.0437220078 . . . . . . . . . . 25255 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_AceticAcid25_heteronuclear_noe_list _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode AceticAcid25_heteronuclear_noe_list _Heteronucl_NOE_list.Entry_ID 25255 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 4 _Heteronucl_NOE_list.Sample_condition_list_label $25C_pH2_lowIS _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 20000000 _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 34 'gNNOE (N15-NOE (TROSY))' . . . 25255 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 2 2 GLN N N 15 . 1 1 2 2 GLN H H 1 -0.6487855735 0.0539760423 . . . . . . . . . . 25255 3 2 . 1 1 3 3 ILE N N 15 . 1 1 3 3 ILE H H 1 -0.3621214026 0.062425317 . . . . . . . . . . 25255 3 3 . 1 1 4 4 THR N N 15 . 1 1 4 4 THR H H 1 0.0284739771 0.0637418119 . . . . . . . . . . 25255 3 4 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.0216984574 0.0578085784 . . . . . . . . . . 25255 3 5 . 1 1 6 6 TRP N N 15 . 1 1 6 6 TRP H H 1 0.0427414349 0.0559084846 . . . . . . . . . . 25255 3 6 . 1 1 7 7 LYS N N 15 . 1 1 7 7 LYS H H 1 0.2786887937 0.0725921066 . . . . . . . . . . 25255 3 7 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.2651746433 0.054065888 . . . . . . . . . . 25255 3 8 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.1771108926 0.0593148733 . . . . . . . . . . 25255 3 9 . 1 1 11 11 VAL N N 15 . 1 1 11 11 VAL H H 1 0.2286948701 0.0772362773 . . . . . . . . . . 25255 3 10 . 1 1 12 12 THR N N 15 . 1 1 12 12 THR H H 1 0.2252922743 0.0651634618 . . . . . . . . . . 25255 3 11 . 1 1 13 13 ILE N N 15 . 1 1 13 13 ILE H H 1 0.3664789822 0.0881372391 . . . . . . . . . . 25255 3 12 . 1 1 14 14 ARG N N 15 . 1 1 14 14 ARG H H 1 0.1597153393 0.063697239 . . . . . . . . . . 25255 3 13 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 0.3327514282 0.0676185361 . . . . . . . . . . 25255 3 14 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.2595359374 0.0698711863 . . . . . . . . . . 25255 3 15 . 1 1 17 17 GLY N N 15 . 1 1 17 17 GLY H H 1 0.1805518185 0.0529223947 . . . . . . . . . . 25255 3 16 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.2387489958 0.0563664773 . . . . . . . . . . 25255 3 17 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.2399730901 0.0652807682 . . . . . . . . . . 25255 3 18 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.3026881266 0.0695994105 . . . . . . . . . . 25255 3 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.1746200813 0.0614098055 . . . . . . . . . . 25255 3 20 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.3599882295 0.069634569 . . . . . . . . . . 25255 3 21 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.1872326038 0.0553354705 . . . . . . . . . . 25255 3 22 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.2739003636 0.0833661848 . . . . . . . . . . 25255 3 23 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.2608146772 0.0300199965 . . . . . . . . . . 25255 3 24 . 1 1 26 26 THR N N 15 . 1 1 26 26 THR H H 1 0.2780226363 0.0543033433 . . . . . . . . . . 25255 3 25 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.2491398561 0.0526800829 . . . . . . . . . . 25255 3 26 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.3213681714 0.0513635483 . . . . . . . . . . 25255 3 27 . 1 1 29 29 ASP N N 15 . 1 1 29 29 ASP H H 1 0.223098908 0.059633774 . . . . . . . . . . 25255 3 28 . 1 1 30 30 ASP N N 15 . 1 1 30 30 ASP H H 1 0.152387306 0.0440967353 . . . . . . . . . . 25255 3 29 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.2531296749 0.0506572634 . . . . . . . . . . 25255 3 30 . 1 1 32 32 VAL N N 15 . 1 1 32 32 VAL H H 1 0.3416053524 0.0585335318 . . . . . . . . . . 25255 3 31 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.2984106635 0.070351833 . . . . . . . . . . 25255 3 32 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.4380958716 0.0386173174 . . . . . . . . . . 25255 3 33 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.4041195107 0.061598577 . . . . . . . . . . 25255 3 34 . 1 1 36 36 MET N N 15 . 1 1 36 36 MET H H 1 0.3621831603 0.0405630458 . . . . . . . . . . 25255 3 35 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.3027588502 0.0718548863 . . . . . . . . . . 25255 3 36 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.2903850365 0.0718991696 . . . . . . . . . . 25255 3 37 . 1 1 40 40 GLY N N 15 . 1 1 40 40 GLY H H 1 0.2096495795 0.0586022876 . . . . . . . . . . 25255 3 38 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.2316263113 0.06576701 . . . . . . . . . . 25255 3 39 . 1 1 42 42 TRP N N 15 . 1 1 42 42 TRP H H 1 0.1878210284 0.0533137606 . . . . . . . . . . 25255 3 40 . 1 1 43 43 LYS N N 15 . 1 1 43 43 LYS H H 1 0.1455122717 0.0681263898 . . . . . . . . . . 25255 3 41 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 0.1115327207 0.0400091107 . . . . . . . . . . 25255 3 42 . 1 1 46 46 MET N N 15 . 1 1 46 46 MET H H 1 0.244823758 0.06496804 . . . . . . . . . . 25255 3 43 . 1 1 47 47 ILE N N 15 . 1 1 47 47 ILE H H 1 0.1537912508 0.0379088953 . . . . . . . . . . 25255 3 44 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.1895038465 0.0490416572 . . . . . . . . . . 25255 3 45 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.0629288498 0.0464258547 . . . . . . . . . . 25255 3 46 . 1 1 50 50 ILE N N 15 . 1 1 50 50 ILE H H 1 -0.0027702981 0.0478770967 . . . . . . . . . . 25255 3 47 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.121697782 0.0529394785 . . . . . . . . . . 25255 3 48 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.2154531892 0.0460597903 . . . . . . . . . . 25255 3 49 . 1 1 53 53 PHE N N 15 . 1 1 53 53 PHE H H 1 0.2338560831 0.0470090543 . . . . . . . . . . 25255 3 50 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.1279934376 0.0699651187 . . . . . . . . . . 25255 3 51 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.2107146109 0.0835575708 . . . . . . . . . . 25255 3 52 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.4353286428 0.0734770186 . . . . . . . . . . 25255 3 53 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.2997453298 0.070979167 . . . . . . . . . . 25255 3 54 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.2198346778 0.05961987 . . . . . . . . . . 25255 3 55 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 0.2582282762 0.0673331836 . . . . . . . . . . 25255 3 56 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.2831237071 0.0665371827 . . . . . . . . . . 25255 3 57 . 1 1 61 61 GLN N N 15 . 1 1 61 61 GLN H H 1 0.4355874982 0.0693458666 . . . . . . . . . . 25255 3 58 . 1 1 62 62 ILE N N 15 . 1 1 62 62 ILE H H 1 0.1202428083 0.0747165675 . . . . . . . . . . 25255 3 59 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.3366148179 0.0737479099 . . . . . . . . . . 25255 3 60 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.2238580856 0.0815358054 . . . . . . . . . . 25255 3 61 . 1 1 66 66 ILE N N 15 . 1 1 66 66 ILE H H 1 0.192089706 0.0401749653 . . . . . . . . . . 25255 3 62 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.189977257 0.0631554305 . . . . . . . . . . 25255 3 63 . 1 1 68 68 GLY N N 15 . 1 1 68 68 GLY H H 1 0.203131656 0.0397045918 . . . . . . . . . . 25255 3 64 . 1 1 69 69 HIS N N 15 . 1 1 69 69 HIS H H 1 0.2478986068 0.0590289418 . . . . . . . . . . 25255 3 65 . 1 1 70 70 LYS N N 15 . 1 1 70 70 LYS H H 1 0.1897418126 0.0543690986 . . . . . . . . . . 25255 3 66 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.1968905243 0.0601374092 . . . . . . . . . . 25255 3 67 . 1 1 72 72 ILE N N 15 . 1 1 72 72 ILE H H 1 0.1733370232 0.0446406068 . . . . . . . . . . 25255 3 68 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.130100552 0.0436935437 . . . . . . . . . . 25255 3 69 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.1062146783 0.0585745105 . . . . . . . . . . 25255 3 70 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.2900380463 0.0951610516 . . . . . . . . . . 25255 3 71 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.1386175938 0.0633508267 . . . . . . . . . . 25255 3 72 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 -0.0271623466 0.037022678 . . . . . . . . . . 25255 3 73 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 -0.0498302148 0.0532663652 . . . . . . . . . . 25255 3 74 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.130792658 0.0633095277 . . . . . . . . . . 25255 3 75 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.2045462183 0.0440403356 . . . . . . . . . . 25255 3 76 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.2126545348 0.0636684803 . . . . . . . . . . 25255 3 77 . 1 1 84 84 ILE N N 15 . 1 1 84 84 ILE H H 1 0.1477572741 0.0608149066 . . . . . . . . . . 25255 3 78 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.2314739835 0.0581103175 . . . . . . . . . . 25255 3 79 . 1 1 86 86 GLY N N 15 . 1 1 86 86 GLY H H 1 0.265605426 0.0551209759 . . . . . . . . . . 25255 3 80 . 1 1 87 87 ARG N N 15 . 1 1 87 87 ARG H H 1 0.2939484851 0.0310983928 . . . . . . . . . . 25255 3 81 . 1 1 88 88 ASN N N 15 . 1 1 88 88 ASN H H 1 0.3064023392 0.0690418005 . . . . . . . . . . 25255 3 82 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.177010023 0.0449233105 . . . . . . . . . . 25255 3 83 . 1 1 90 90 LEU N N 15 . 1 1 90 90 LEU H H 1 0.3233106657 0.0704212535 . . . . . . . . . . 25255 3 84 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.1397938158 0.0463372161 . . . . . . . . . . 25255 3 85 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 0.0571969971 0.0330433936 . . . . . . . . . . 25255 3 86 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 -0.0457674331 0.0609698822 . . . . . . . . . . 25255 3 87 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 -0.156301261 0.0462462994 . . . . . . . . . . 25255 3 88 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 -0.6339424059 0.0685963026 . . . . . . . . . . 25255 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_5C_heteronuclear_noe_list _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 5C_heteronuclear_noe_list _Heteronucl_NOE_list.Entry_ID 25255 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 3 _Heteronucl_NOE_list.Sample_condition_list_label $5C_pH6_lowIS _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 20000000 _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 35 'gNNOE (N15-NOE (TROSY))' . . . 25255 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 4 4 THR N N 15 . 1 1 4 4 THR H H 1 0.2958512755 0.1073220796 . . . . . . . . . . 25255 4 2 . 1 1 6 6 TRP N N 15 . 1 1 6 6 TRP H H 1 0.3535155562 0.1281266197 . . . . . . . . . . 25255 4 3 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.2126006248 0.1113228535 . . . . . . . . . . 25255 4 4 . 1 1 11 11 VAL N N 15 . 1 1 11 11 VAL H H 1 0.4292725975 0.1482003727 . . . . . . . . . . 25255 4 5 . 1 1 12 12 THR N N 15 . 1 1 12 12 THR H H 1 0.2183735405 0.1000390588 . . . . . . . . . . 25255 4 6 . 1 1 13 13 ILE N N 15 . 1 1 13 13 ILE H H 1 0.3261775743 0.0996710139 . . . . . . . . . . 25255 4 7 . 1 1 14 14 ARG N N 15 . 1 1 14 14 ARG H H 1 0.1696274298 0.1336810698 . . . . . . . . . . 25255 4 8 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.3624615823 0.1668379531 . . . . . . . . . . 25255 4 9 . 1 1 17 17 GLY N N 15 . 1 1 17 17 GLY H H 1 0.3953850071 0.0757392844 . . . . . . . . . . 25255 4 10 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.2288078604 0.066081816 . . . . . . . . . . 25255 4 11 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.2695152931 0.1076272327 . . . . . . . . . . 25255 4 12 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.2606547156 0.154701869 . . . . . . . . . . 25255 4 13 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.7023263327 0.1088119475 . . . . . . . . . . 25255 4 14 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.2926874685 0.171318023 . . . . . . . . . . 25255 4 15 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.2500447968 0.1255040271 . . . . . . . . . . 25255 4 16 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.3457743364 0.2151796743 . . . . . . . . . . 25255 4 17 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.4555888452 0.1015402815 . . . . . . . . . . 25255 4 18 . 1 1 26 26 THR N N 15 . 1 1 26 26 THR H H 1 0.1636742953 0.1063758719 . . . . . . . . . . 25255 4 19 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.4827898306 0.1304611352 . . . . . . . . . . 25255 4 20 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.364947601 0.0743156588 . . . . . . . . . . 25255 4 21 . 1 1 29 29 ASP N N 15 . 1 1 29 29 ASP H H 1 0.1897439184 0.067496746 . . . . . . . . . . 25255 4 22 . 1 1 30 30 ASP N N 15 . 1 1 30 30 ASP H H 1 0.3929471201 0.070390901 . . . . . . . . . . 25255 4 23 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.3708939598 0.0966234953 . . . . . . . . . . 25255 4 24 . 1 1 32 32 VAL N N 15 . 1 1 32 32 VAL H H 1 0.5109475395 0.1428677 . . . . . . . . . . 25255 4 25 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.281893069 0.0791097085 . . . . . . . . . . 25255 4 26 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.7591067121 0.2206610607 . . . . . . . . . . 25255 4 27 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.4873738953 0.1346360363 . . . . . . . . . . 25255 4 28 . 1 1 36 36 MET N N 15 . 1 1 36 36 MET H H 1 0.2033410407 0.135263975 . . . . . . . . . . 25255 4 29 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.0245124315 0.139607958 . . . . . . . . . . 25255 4 30 . 1 1 40 40 GLY N N 15 . 1 1 40 40 GLY H H 1 0.5540311671 0.1932972892 . . . . . . . . . . 25255 4 31 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.5192243019 0.1847519083 . . . . . . . . . . 25255 4 32 . 1 1 42 42 TRP N N 15 . 1 1 42 42 TRP H H 1 0.5595309328 0.1805295678 . . . . . . . . . . 25255 4 33 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 0.5449444989 0.1168953689 . . . . . . . . . . 25255 4 34 . 1 1 46 46 MET N N 15 . 1 1 46 46 MET H H 1 0.3296575362 0.0613774887 . . . . . . . . . . 25255 4 35 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.572250005 0.2241541189 . . . . . . . . . . 25255 4 36 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.1364096861 0.0942793097 . . . . . . . . . . 25255 4 37 . 1 1 50 50 ILE N N 15 . 1 1 50 50 ILE H H 1 0.2667930113 0.0785578601 . . . . . . . . . . 25255 4 38 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.1283056772 0.0757386323 . . . . . . . . . . 25255 4 39 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.0933723121 0.1500108329 . . . . . . . . . . 25255 4 40 . 1 1 53 53 PHE N N 15 . 1 1 53 53 PHE H H 1 0.234871613 0.0915887425 . . . . . . . . . . 25255 4 41 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.1091593425 0.1525516262 . . . . . . . . . . 25255 4 42 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.5446249776 0.1727344851 . . . . . . . . . . 25255 4 43 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.0645868054 0.0652899616 . . . . . . . . . . 25255 4 44 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.5248801472 0.106092277 . . . . . . . . . . 25255 4 45 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.3572724263 0.075180818 . . . . . . . . . . 25255 4 46 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 0.4541317513 0.1336332867 . . . . . . . . . . 25255 4 47 . 1 1 61 61 GLN N N 15 . 1 1 61 61 GLN H H 1 0.2185872721 0.0859892187 . . . . . . . . . . 25255 4 48 . 1 1 62 62 ILE N N 15 . 1 1 62 62 ILE H H 1 0.3805032782 0.1465302922 . . . . . . . . . . 25255 4 49 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.3262528961 0.0609770184 . . . . . . . . . . 25255 4 50 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.466980952 0.0962734553 . . . . . . . . . . 25255 4 51 . 1 1 66 66 ILE N N 15 . 1 1 66 66 ILE H H 1 0.6204001502 0.169247846 . . . . . . . . . . 25255 4 52 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.1198612489 0.0820318025 . . . . . . . . . . 25255 4 53 . 1 1 68 68 GLY N N 15 . 1 1 68 68 GLY H H 1 0.1637953601 0.1170383558 . . . . . . . . . . 25255 4 54 . 1 1 69 69 HIS N N 15 . 1 1 69 69 HIS H H 1 0.1763625024 0.0774446064 . . . . . . . . . . 25255 4 55 . 1 1 70 70 LYS N N 15 . 1 1 70 70 LYS H H 1 0.2281780191 0.1349103298 . . . . . . . . . . 25255 4 56 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.223461646 0.0826298357 . . . . . . . . . . 25255 4 57 . 1 1 72 72 ILE N N 15 . 1 1 72 72 ILE H H 1 0.3749108431 0.0744722148 . . . . . . . . . . 25255 4 58 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.2672624344 0.0745296986 . . . . . . . . . . 25255 4 59 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.3012766728 0.0803515351 . . . . . . . . . . 25255 4 60 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.4563570808 0.1347663542 . . . . . . . . . . 25255 4 61 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.3590634544 0.1302086643 . . . . . . . . . . 25255 4 62 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.1806440501 0.0696632735 . . . . . . . . . . 25255 4 63 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.2891009872 0.101755073 . . . . . . . . . . 25255 4 64 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.2054908812 0.0740364559 . . . . . . . . . . 25255 4 65 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.2497884276 0.0758237505 . . . . . . . . . . 25255 4 66 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.3183359802 0.0649035038 . . . . . . . . . . 25255 4 67 . 1 1 84 84 ILE N N 15 . 1 1 84 84 ILE H H 1 0.2060520316 0.0965310457 . . . . . . . . . . 25255 4 68 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.4617065332 0.2635247789 . . . . . . . . . . 25255 4 69 . 1 1 86 86 GLY N N 15 . 1 1 86 86 GLY H H 1 0.2705252339 0.0792914522 . . . . . . . . . . 25255 4 70 . 1 1 87 87 ARG N N 15 . 1 1 87 87 ARG H H 1 0.3980496627 0.0944449435 . . . . . . . . . . 25255 4 71 . 1 1 88 88 ASN N N 15 . 1 1 88 88 ASN H H 1 0.3465888851 0.0728401586 . . . . . . . . . . 25255 4 72 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.3225286634 0.1057492475 . . . . . . . . . . 25255 4 73 . 1 1 90 90 LEU N N 15 . 1 1 90 90 LEU H H 1 0.4223727649 0.0796960826 . . . . . . . . . . 25255 4 74 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.2295983732 0.0773863228 . . . . . . . . . . 25255 4 75 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 0.243124692 0.0726219842 . . . . . . . . . . 25255 4 76 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 0.1018786076 0.0602892562 . . . . . . . . . . 25255 4 77 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 -0.1677350149 0.1018586275 . . . . . . . . . . 25255 4 78 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 -0.3309740654 0.0615179665 . . . . . . . . . . 25255 4 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_Urea8M_heteronuclear_noe_list _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode Urea8M_heteronuclear_noe_list _Heteronucl_NOE_list.Entry_ID 25255 _Heteronucl_NOE_list.ID 5 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $25C_pH6_lowIS _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 20000000 _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 32 'gNNOE (N15-NOE (TROSY))' . . . 25255 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 4 4 THR N N 15 . 1 1 4 4 THR H H 1 0.1770188426 0.0131092891 . . . . . . . . . . 25255 5 2 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.1462413744 0.0578493667 . . . . . . . . . . 25255 5 3 . 1 1 6 6 TRP N N 15 . 1 1 6 6 TRP H H 1 0.2651220094 0.0184530389 . . . . . . . . . . 25255 5 4 . 1 1 7 7 LYS N N 15 . 1 1 7 7 LYS H H 1 0.3561257351 0.0286786766 . . . . . . . . . . 25255 5 5 . 1 1 8 8 ARG N N 15 . 1 1 8 8 ARG H H 1 0.3259250369 0.0199512466 . . . . . . . . . . 25255 5 6 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.2720137193 0.010336558 . . . . . . . . . . 25255 5 7 . 1 1 11 11 VAL N N 15 . 1 1 11 11 VAL H H 1 0.2483802351 0.0197894143 . . . . . . . . . . 25255 5 8 . 1 1 12 12 THR N N 15 . 1 1 12 12 THR H H 1 0.1994248898 0.0176407647 . . . . . . . . . . 25255 5 9 . 1 1 13 13 ILE N N 15 . 1 1 13 13 ILE H H 1 0.2456364376 0.019095848 . . . . . . . . . . 25255 5 10 . 1 1 14 14 ARG N N 15 . 1 1 14 14 ARG H H 1 0.2501090965 0.0199298161 . . . . . . . . . . 25255 5 11 . 1 1 15 15 ILE N N 15 . 1 1 15 15 ILE H H 1 0.2297915497 0.0093561394 . . . . . . . . . . 25255 5 12 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.2409663717 0.0225893229 . . . . . . . . . . 25255 5 13 . 1 1 17 17 GLY N N 15 . 1 1 17 17 GLY H H 1 0.1957078212 0.0162740472 . . . . . . . . . . 25255 5 14 . 1 1 18 18 GLN N N 15 . 1 1 18 18 GLN H H 1 0.2147397264 0.0147473768 . . . . . . . . . . 25255 5 15 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.2225787529 0.0084147133 . . . . . . . . . . 25255 5 16 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.257074597 0.0169694022 . . . . . . . . . . 25255 5 17 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.2366993349 0.015441794 . . . . . . . . . . 25255 5 18 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.2435714029 0.0153857166 . . . . . . . . . . 25255 5 19 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.2233744181 0.015200221 . . . . . . . . . . 25255 5 20 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.1817407416 0.0157366696 . . . . . . . . . . 25255 5 21 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.1974182786 0.0165035991 . . . . . . . . . . 25255 5 22 . 1 1 26 26 THR N N 15 . 1 1 26 26 THR H H 1 0.1686293601 0.0145840276 . . . . . . . . . . 25255 5 23 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.1933421321 0.0148454213 . . . . . . . . . . 25255 5 24 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.1904906359 0.0135210534 . . . . . . . . . . 25255 5 25 . 1 1 29 29 ASP N N 15 . 1 1 29 29 ASP H H 1 0.1459634093 0.0111405626 . . . . . . . . . . 25255 5 26 . 1 1 30 30 ASP N N 15 . 1 1 30 30 ASP H H 1 0.2775523394 0.0128312336 . . . . . . . . . . 25255 5 27 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.2715067385 0.0148223118 . . . . . . . . . . 25255 5 28 . 1 1 32 32 VAL N N 15 . 1 1 32 32 VAL H H 1 0.279266247 0.0194789356 . . . . . . . . . . 25255 5 29 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.2713375061 0.0191825614 . . . . . . . . . . 25255 5 30 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.3197675301 0.0174452764 . . . . . . . . . . 25255 5 31 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.3161732532 0.0182826171 . . . . . . . . . . 25255 5 32 . 1 1 36 36 MET N N 15 . 1 1 36 36 MET H H 1 0.2883640224 0.0231988934 . . . . . . . . . . 25255 5 33 . 1 1 37 37 ASN N N 15 . 1 1 37 37 ASN H H 1 0.3104321569 0.0251228712 . . . . . . . . . . 25255 5 34 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.2516825395 0.0351803776 . . . . . . . . . . 25255 5 35 . 1 1 40 40 GLY N N 15 . 1 1 40 40 GLY H H 1 0.2337918827 0.0188900119 . . . . . . . . . . 25255 5 36 . 1 1 41 41 LYS N N 15 . 1 1 41 41 LYS H H 1 0.3591390034 0.0333249523 . . . . . . . . . . 25255 5 37 . 1 1 42 42 TRP N N 15 . 1 1 42 42 TRP H H 1 0.11445492 0.0125964178 . . . . . . . . . . 25255 5 38 . 1 1 43 43 LYS N N 15 . 1 1 43 43 LYS H H 1 0.3092131938 0.0231415485 . . . . . . . . . . 25255 5 39 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 0.323373763 0.0196305217 . . . . . . . . . . 25255 5 40 . 1 1 46 46 MET N N 15 . 1 1 46 46 MET H H 1 0.2533730353 0.0246604215 . . . . . . . . . . 25255 5 41 . 1 1 47 47 ILE N N 15 . 1 1 47 47 ILE H H 1 0.1743533247 0.0104677993 . . . . . . . . . . 25255 5 42 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.1783574247 0.0164982413 . . . . . . . . . . 25255 5 43 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.1149832932 0.0156269118 . . . . . . . . . . 25255 5 44 . 1 1 50 50 ILE N N 15 . 1 1 50 50 ILE H H 1 0.1107496749 0.0182248856 . . . . . . . . . . 25255 5 45 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.0449270401 0.0142250077 . . . . . . . . . . 25255 5 46 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.1361650516 0.0179245882 . . . . . . . . . . 25255 5 47 . 1 1 53 53 PHE N N 15 . 1 1 53 53 PHE H H 1 0.2035580722 0.0173245255 . . . . . . . . . . 25255 5 48 . 1 1 54 54 ILE N N 15 . 1 1 54 54 ILE H H 1 0.1795054367 0.0182574698 . . . . . . . . . . 25255 5 49 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.2186441566 0.0181586032 . . . . . . . . . . 25255 5 50 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.2830321853 0.0159440046 . . . . . . . . . . 25255 5 51 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.3316711865 0.0191076632 . . . . . . . . . . 25255 5 52 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.3555554186 0.0175325232 . . . . . . . . . . 25255 5 53 . 1 1 59 59 TYR N N 15 . 1 1 59 59 TYR H H 1 0.2511774941 0.0097733032 . . . . . . . . . . 25255 5 54 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.2956158801 0.0176110879 . . . . . . . . . . 25255 5 55 . 1 1 61 61 GLN N N 15 . 1 1 61 61 GLN H H 1 0.2607291407 0.0184288379 . . . . . . . . . . 25255 5 56 . 1 1 62 62 ILE N N 15 . 1 1 62 62 ILE H H 1 0.2946726961 0.0177140572 . . . . . . . . . . 25255 5 57 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.1783905631 0.0105044838 . . . . . . . . . . 25255 5 58 . 1 1 65 65 GLU N N 15 . 1 1 65 65 GLU H H 1 0.2436917334 0.0194194476 . . . . . . . . . . 25255 5 59 . 1 1 66 66 ILE N N 15 . 1 1 66 66 ILE H H 1 0.3086305878 0.0242775097 . . . . . . . . . . 25255 5 60 . 1 1 67 67 ALA N N 15 . 1 1 67 67 ALA H H 1 0.1747819513 0.0184992743 . . . . . . . . . . 25255 5 61 . 1 1 68 68 GLY N N 15 . 1 1 68 68 GLY H H 1 0.1844511602 0.0144805481 . . . . . . . . . . 25255 5 62 . 1 1 69 69 HIS N N 15 . 1 1 69 69 HIS H H 1 0.0146430084 0.0221951462 . . . . . . . . . . 25255 5 63 . 1 1 70 70 LYS N N 15 . 1 1 70 70 LYS H H 1 -0.0317899877 0.0581670909 . . . . . . . . . . 25255 5 64 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.1603533764 0.0191100688 . . . . . . . . . . 25255 5 65 . 1 1 72 72 ILE N N 15 . 1 1 72 72 ILE H H 1 0.2011238153 0.0118528181 . . . . . . . . . . 25255 5 66 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.1461124562 0.0155804195 . . . . . . . . . . 25255 5 67 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.1827555355 0.0215564103 . . . . . . . . . . 25255 5 68 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 0.102693757 0.0144886329 . . . . . . . . . . 25255 5 69 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.1230627787 0.0146854426 . . . . . . . . . . 25255 5 70 . 1 1 77 77 VAL N N 15 . 1 1 77 77 VAL H H 1 0.0887284811 0.0127098637 . . . . . . . . . . 25255 5 71 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.125070669 0.0171847468 . . . . . . . . . . 25255 5 72 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.1420561837 0.01824051 . . . . . . . . . . 25255 5 73 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.2148970099 0.0151427051 . . . . . . . . . . 25255 5 74 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.2227492997 0.0141176497 . . . . . . . . . . 25255 5 75 . 1 1 84 84 ILE N N 15 . 1 1 84 84 ILE H H 1 0.2485930075 0.0178225187 . . . . . . . . . . 25255 5 76 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.2071485877 0.0154879345 . . . . . . . . . . 25255 5 77 . 1 1 86 86 GLY N N 15 . 1 1 86 86 GLY H H 1 0.2544199444 0.0159259066 . . . . . . . . . . 25255 5 78 . 1 1 87 87 ARG N N 15 . 1 1 87 87 ARG H H 1 0.2701255277 0.0157917776 . . . . . . . . . . 25255 5 79 . 1 1 88 88 ASN N N 15 . 1 1 88 88 ASN H H 1 0.2088055898 0.0184039986 . . . . . . . . . . 25255 5 80 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.241487214 0.0225512366 . . . . . . . . . . 25255 5 81 . 1 1 90 90 LEU N N 15 . 1 1 90 90 LEU H H 1 0.1793278954 0.0149641732 . . . . . . . . . . 25255 5 82 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.1057397945 0.014934064 . . . . . . . . . . 25255 5 83 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 0.0615650871 0.0145279145 . . . . . . . . . . 25255 5 84 . 1 1 93 93 ILE N N 15 . 1 1 93 93 ILE H H 1 -0.1873911546 0.0127869115 . . . . . . . . . . 25255 5 85 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 -0.2929110721 0.0128144796 . . . . . . . . . . 25255 5 86 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 -0.8517608934 0.0128483343 . . . . . . . . . . 25255 5 stop_ save_