############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_heteronuclear_NOE_bn _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_heteronuclear_NOE_bn _Heteronucl_NOE_list.Entry_ID 26712 _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 height _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 1 '600.18 MHz R1' 1 $sample_1 . 26712 1 9 '600.18 MHz steady-state NOE' 1 $sample_1 . 26712 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 . . 26712 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 0.257901266985 0.081028160651 . . . . . . . . . . 26712 1 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.240506349366 0.123417269845 . . . . . . . . . . 26712 1 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.552533601262 0.127355696404 . . . . . . . . . . 26712 1 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.681190079878 0.129824125774 . . . . . . . . . . 26712 1 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.721761119471 0.163993094521 . . . . . . . . . . 26712 1 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.851290737658 0.13018835702 . . . . . . . . . . 26712 1 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.825448295728 0.156500133179 . . . . . . . . . . 26712 1 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.709291656363 0.130300384191 . . . . . . . . . . 26712 1 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.777974766795 0.0708964164572 . . . . . . . . . . 26712 1 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.772351814006 0.128512602669 . . . . . . . . . . 26712 1 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.766751387741 0.154822764793 . . . . . . . . . . 26712 1 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 1.14433196229 0.174309391382 . . . . . . . . . . 26712 1 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 1.1611460644 0.264047536864 . . . . . . . . . . 26712 1 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.800964324259 0.185941417426 . . . . . . . . . . 26712 1 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 0.612693833393 0.141921236717 . . . . . . . . . . 26712 1 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.679489844392 0.0919419681607 . . . . . . . . . . 26712 1 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 1.10447531738 0.312346597805 . . . . . . . . . . 26712 1 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.682798431984 0.0600337689001 . . . . . . . . . . 26712 1 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.720872485282 0.136817632686 . . . . . . . . . . 26712 1 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.793353596978 0.0946863508145 . . . . . . . . . . 26712 1 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.659230901755 0.13032507967 . . . . . . . . . . 26712 1 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 1.07752864415 0.249199817361 . . . . . . . . . . 26712 1 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.848448333248 0.120356753636 . . . . . . . . . . 26712 1 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.866537300561 0.171521675591 . . . . . . . . . . 26712 1 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.747753337639 0.0687658380363 . . . . . . . . . . 26712 1 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.636255632375 0.110847349957 . . . . . . . . . . 26712 1 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 1.05780221863 0.20086027119 . . . . . . . . . . 26712 1 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.954920302413 0.157990312075 . . . . . . . . . . 26712 1 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.374538989518 0.0770700315272 . . . . . . . . . . 26712 1 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.53250106566 0.0894319568649 . . . . . . . . . . 26712 1 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.895961258188 0.0887585360741 . . . . . . . . . . 26712 1 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.802746433397 0.199539251304 . . . . . . . . . . 26712 1 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 1.06574798746 0.34776332415 . . . . . . . . . . 26712 1 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 1.11323258587 0.272404923939 . . . . . . . . . . 26712 1 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.507165697551 0.158786321165 . . . . . . . . . . 26712 1 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 -1.02903633966 0.10434264699 . . . . . . . . . . 26712 1 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.885855844625 0.256219605031 . . . . . . . . . . 26712 1 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.778798274691 0.132759199372 . . . . . . . . . . 26712 1 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.709280548593 0.139438106069 . . . . . . . . . . 26712 1 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.937838548886 0.126260318875 . . . . . . . . . . 26712 1 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 0.951397417004 0.151343207185 . . . . . . . . . . 26712 1 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.394825106992 0.137704777856 . . . . . . . . . . 26712 1 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 1.14120603517 0.267334733224 . . . . . . . . . . 26712 1 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.715859583738 0.15696878918 . . . . . . . . . . 26712 1 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.68364888658 0.144565155518 . . . . . . . . . . 26712 1 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 1.07529716205 0.228909838588 . . . . . . . . . . 26712 1 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.927994303447 0.134424238976 . . . . . . . . . . 26712 1 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.809995740358 0.158583483193 . . . . . . . . . . 26712 1 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.764505409886 0.0828216067684 . . . . . . . . . . 26712 1 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.696475809292 0.13843492053 . . . . . . . . . . 26712 1 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.675283934983 0.119258793607 . . . . . . . . . . 26712 1 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.717220707528 0.100435099547 . . . . . . . . . . 26712 1 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 -0.760594571268 0.404606026787 . . . . . . . . . . 26712 1 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.640703660293 0.108215627093 . . . . . . . . . . 26712 1 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.774055298012 0.0780634737803 . . . . . . . . . . 26712 1 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.761150718116 0.115785728918 . . . . . . . . . . 26712 1 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 1.04431593541 0.156162156166 . . . . . . . . . . 26712 1 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 1.09100794126 0.196010517389 . . . . . . . . . . 26712 1 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 0.747115026796 0.17820513738 . . . . . . . . . . 26712 1 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 1.14098438764 0.188249540691 . . . . . . . . . . 26712 1 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.612360098268 0.0711526743895 . . . . . . . . . . 26712 1 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 0.720457068205 0.13447791694 . . . . . . . . . . 26712 1 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.904162212272 0.175121074369 . . . . . . . . . . 26712 1 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.820040082288 0.0895473167804 . . . . . . . . . . 26712 1 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.687839013636 0.0505528380444 . . . . . . . . . . 26712 1 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.563238322763 0.109412904251 . . . . . . . . . . 26712 1 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.863150227177 0.0965778136766 . . . . . . . . . . 26712 1 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.866401074901 0.154187396075 . . . . . . . . . . 26712 1 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.836504603099 0.114095766123 . . . . . . . . . . 26712 1 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.862952076759 0.180912755005 . . . . . . . . . . 26712 1 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.681907702185 0.114954008564 . . . . . . . . . . 26712 1 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.568182814842 0.127152903735 . . . . . . . . . . 26712 1 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 1.19849572992 0.215189748312 . . . . . . . . . . 26712 1 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.632187276515 0.0743475718851 . . . . . . . . . . 26712 1 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.607598594539 0.0748069258495 . . . . . . . . . . 26712 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_750.46_MHz_heteronuclear_NOE_bn _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_heteronuclear_NOE_bn _Heteronucl_NOE_list.Entry_ID 26712 _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 height _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 . 26712 2 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26712 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26712 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 0.364472126555 0.0914698069787 . . . . . . . . . . 26712 2 2 . 2 2 8 8 ILE N N 15 . 2 2 8 8 ILE H H 1 0.767015871186 0.173451298541 . . . . . . . . . . 26712 2 3 . 2 2 9 9 GLN N N 15 . 2 2 9 9 GLN H H 1 0.616232170716 0.144083132851 . . . . . . . . . . 26712 2 4 . 2 2 12 12 SER N N 15 . 2 2 12 12 SER H H 1 0.755427799144 0.148252348708 . . . . . . . . . . 26712 2 5 . 2 2 13 13 ARG N N 15 . 2 2 13 13 ARG H H 1 0.941193923433 0.252678649501 . . . . . . . . . . 26712 2 6 . 2 2 14 14 HIS N N 15 . 2 2 14 14 HIS H H 1 0.616945182386 0.101843009898 . . . . . . . . . . 26712 2 7 . 2 2 17 17 GLU N N 15 . 2 2 17 17 GLU H H 1 0.751974957831 0.197930575969 . . . . . . . . . . 26712 2 8 . 2 2 19 19 GLY N N 15 . 2 2 19 19 GLY H H 1 0.894292816217 0.203721199168 . . . . . . . . . . 26712 2 9 . 2 2 20 20 LYS N N 15 . 2 2 20 20 LYS H H 1 0.791299348933 0.0796828322939 . . . . . . . . . . 26712 2 10 . 2 2 23 23 PHE N N 15 . 2 2 23 23 PHE H H 1 0.844584766976 0.194021565091 . . . . . . . . . . 26712 2 11 . 2 2 25 25 ASN N N 15 . 2 2 25 25 ASN H H 1 0.69633502526 0.165322570422 . . . . . . . . . . 26712 2 12 . 2 2 26 26 CYS N N 15 . 2 2 26 26 CYS H H 1 1.09942535579 0.183859143845 . . . . . . . . . . 26712 2 13 . 2 2 27 27 TYR N N 15 . 2 2 27 27 TYR H H 1 0.775613462676 0.227264798922 . . . . . . . . . . 26712 2 14 . 2 2 29 29 SER N N 15 . 2 2 29 29 SER H H 1 0.885677495063 0.198425801086 . . . . . . . . . . 26712 2 15 . 2 2 30 30 GLY N N 15 . 2 2 30 30 GLY H H 1 1.09880358379 0.223625307265 . . . . . . . . . . 26712 2 16 . 2 2 31 31 PHE N N 15 . 2 2 31 31 PHE H H 1 0.828887698749 0.144545382994 . . . . . . . . . . 26712 2 17 . 2 2 34 34 SER N N 15 . 2 2 34 34 SER H H 1 1.1651963155 0.464106958609 . . . . . . . . . . 26712 2 18 . 2 2 35 35 ASP N N 15 . 2 2 35 35 ASP H H 1 0.659974662756 0.0648325716787 . . . . . . . . . . 26712 2 19 . 2 2 37 37 GLU N N 15 . 2 2 37 37 GLU H H 1 0.692112547514 0.1171420349 . . . . . . . . . . 26712 2 20 . 2 2 38 38 VAL N N 15 . 2 2 38 38 VAL H H 1 0.520444126483 0.0969501810247 . . . . . . . . . . 26712 2 21 . 2 2 40 40 LEU N N 15 . 2 2 40 40 LEU H H 1 0.686067567815 0.136505451521 . . . . . . . . . . 26712 2 22 . 2 2 41 41 LEU N N 15 . 2 2 41 41 LEU H H 1 0.775164157441 0.152406602463 . . . . . . . . . . 26712 2 23 . 2 2 43 43 ASN N N 15 . 2 2 43 43 ASN H H 1 0.487543037597 0.0991050727436 . . . . . . . . . . 26712 2 24 . 2 2 44 44 GLY N N 15 . 2 2 44 44 GLY H H 1 0.850305638723 0.16375230064 . . . . . . . . . . 26712 2 25 . 2 2 45 45 GLU N N 15 . 2 2 45 45 GLU H H 1 0.644084825322 0.073768892932 . . . . . . . . . . 26712 2 26 . 2 2 46 46 ARG N N 15 . 2 2 46 46 ARG H H 1 0.951758976676 0.173830872638 . . . . . . . . . . 26712 2 27 . 2 2 47 47 ILE N N 15 . 2 2 47 47 ILE H H 1 0.779348088317 0.149659039822 . . . . . . . . . . 26712 2 28 . 2 2 48 48 GLU N N 15 . 2 2 48 48 GLU H H 1 0.879452671636 0.142352359897 . . . . . . . . . . 26712 2 29 . 2 2 49 49 LYS N N 15 . 2 2 49 49 LYS H H 1 0.3889960475 0.0746492859295 . . . . . . . . . . 26712 2 30 . 2 2 51 51 GLU N N 15 . 2 2 51 51 GLU H H 1 0.425088643459 0.104094578479 . . . . . . . . . . 26712 2 31 . 2 2 52 52 HIS N N 15 . 2 2 52 52 HIS H H 1 0.907135366002 0.102607165762 . . . . . . . . . . 26712 2 32 . 2 2 53 53 SER N N 15 . 2 2 53 53 SER H H 1 0.920777075962 0.179508477799 . . . . . . . . . . 26712 2 33 . 2 2 54 54 ASP N N 15 . 2 2 54 54 ASP H H 1 0.633269871794 0.242148047809 . . . . . . . . . . 26712 2 34 . 2 2 55 55 LEU N N 15 . 2 2 55 55 LEU H H 1 0.860949146783 0.216084758929 . . . . . . . . . . 26712 2 35 . 2 2 56 56 SER N N 15 . 2 2 56 56 SER H H 1 0.718607633093 0.177287261244 . . . . . . . . . . 26712 2 36 . 2 2 57 57 PHE N N 15 . 2 2 57 57 PHE H H 1 -0.898730149179 0.10970362673 . . . . . . . . . . 26712 2 37 . 2 2 58 58 SER N N 15 . 2 2 58 58 SER H H 1 0.743435849741 0.175095189319 . . . . . . . . . . 26712 2 38 . 2 2 60 60 ASP N N 15 . 2 2 60 60 ASP H H 1 0.663541349047 0.129821344765 . . . . . . . . . . 26712 2 39 . 2 2 61 61 TRP N N 15 . 2 2 61 61 TRP H H 1 0.78428992088 0.205546156835 . . . . . . . . . . 26712 2 40 . 2 2 61 61 TRP NE1 N 15 . 2 2 61 61 TRP HE1 H 1 0.84220779413 0.15482949442 . . . . . . . . . . 26712 2 41 . 2 2 62 62 SER N N 15 . 2 2 62 62 SER H H 1 1.09918610171 0.203376851023 . . . . . . . . . . 26712 2 42 . 2 2 63 63 PHE N N 15 . 2 2 63 63 PHE H H 1 0.641747232795 0.14601237201 . . . . . . . . . . 26712 2 43 . 2 2 64 64 TYR N N 15 . 2 2 64 64 TYR H H 1 0.555888406451 0.143368117519 . . . . . . . . . . 26712 2 44 . 2 2 65 65 LEU N N 15 . 2 2 65 65 LEU H H 1 0.563341909625 0.14270291965 . . . . . . . . . . 26712 2 45 . 2 2 66 66 LEU N N 15 . 2 2 66 66 LEU H H 1 0.71029892114 0.183890097374 . . . . . . . . . . 26712 2 46 . 2 2 67 67 TYR N N 15 . 2 2 67 67 TYR H H 1 0.882622041467 0.191427140828 . . . . . . . . . . 26712 2 47 . 2 2 68 68 TYR N N 15 . 2 2 68 68 TYR H H 1 0.719350342651 0.134332047316 . . . . . . . . . . 26712 2 48 . 2 2 69 69 THR N N 15 . 2 2 69 69 THR H H 1 0.809971321688 0.138709785977 . . . . . . . . . . 26712 2 49 . 2 2 70 70 GLU N N 15 . 2 2 70 70 GLU H H 1 0.789888291384 0.099849320974 . . . . . . . . . . 26712 2 50 . 2 2 71 71 PHE N N 15 . 2 2 71 71 PHE H H 1 0.605441216755 0.130040691775 . . . . . . . . . . 26712 2 51 . 2 2 72 72 THR N N 15 . 2 2 72 72 THR H H 1 0.792857730932 0.132369340552 . . . . . . . . . . 26712 2 52 . 2 2 74 74 THR N N 15 . 2 2 74 74 THR H H 1 0.605568819888 0.0964365938101 . . . . . . . . . . 26712 2 53 . 2 2 75 75 GLU N N 15 . 2 2 75 75 GLU H H 1 0.807452097677 0.262972922825 . . . . . . . . . . 26712 2 54 . 2 2 76 76 LYS N N 15 . 2 2 76 76 LYS H H 1 0.365036068041 0.0880263018341 . . . . . . . . . . 26712 2 55 . 2 2 77 77 ASP N N 15 . 2 2 77 77 ASP H H 1 0.494746699504 0.0687365377923 . . . . . . . . . . 26712 2 56 . 2 2 79 79 TYR N N 15 . 2 2 79 79 TYR H H 1 0.780999999242 0.15395991847 . . . . . . . . . . 26712 2 57 . 2 2 81 81 CYS N N 15 . 2 2 81 81 CYS H H 1 0.698389792802 0.130380726331 . . . . . . . . . . 26712 2 58 . 2 2 82 82 ARG N N 15 . 2 2 82 82 ARG H H 1 0.849121062094 0.16009767929 . . . . . . . . . . 26712 2 59 . 2 2 83 83 VAL N N 15 . 2 2 83 83 VAL H H 1 1.05796338995 0.271106079228 . . . . . . . . . . 26712 2 60 . 2 2 84 84 ASN N N 15 . 2 2 84 84 ASN H H 1 0.752199102605 0.127859798812 . . . . . . . . . . 26712 2 61 . 2 2 85 85 HIS N N 15 . 2 2 85 85 HIS H H 1 0.699256607217 0.0856824827297 . . . . . . . . . . 26712 2 62 . 2 2 86 86 VAL N N 15 . 2 2 86 86 VAL H H 1 1.08610483704 0.189802328735 . . . . . . . . . . 26712 2 63 . 2 2 87 87 THR N N 15 . 2 2 87 87 THR H H 1 0.778376186724 0.172345728597 . . . . . . . . . . 26712 2 64 . 2 2 88 88 LEU N N 15 . 2 2 88 88 LEU H H 1 0.649777424891 0.0960091260432 . . . . . . . . . . 26712 2 65 . 2 2 90 90 GLN N N 15 . 2 2 90 90 GLN H H 1 0.739237522287 0.0569517124032 . . . . . . . . . . 26712 2 66 . 2 2 92 92 LYS N N 15 . 2 2 92 92 LYS H H 1 0.693650333396 0.113835242486 . . . . . . . . . . 26712 2 67 . 2 2 93 93 ILE N N 15 . 2 2 93 93 ILE H H 1 0.710354400478 0.0886790298632 . . . . . . . . . . 26712 2 68 . 2 2 94 94 VAL N N 15 . 2 2 94 94 VAL H H 1 0.630775625918 0.145891445256 . . . . . . . . . . 26712 2 69 . 2 2 95 95 LYS N N 15 . 2 2 95 95 LYS H H 1 0.682003359818 0.132469297567 . . . . . . . . . . 26712 2 70 . 2 2 96 96 TRP N N 15 . 2 2 96 96 TRP H H 1 0.520383691139 0.143425012622 . . . . . . . . . . 26712 2 71 . 2 2 96 96 TRP NE1 N 15 . 2 2 96 96 TRP HE1 H 1 0.648476655803 0.121366687602 . . . . . . . . . . 26712 2 72 . 2 2 97 97 ASP N N 15 . 2 2 97 97 ASP H H 1 0.826884130509 0.133565179576 . . . . . . . . . . 26712 2 73 . 2 2 98 98 ARG N N 15 . 2 2 98 98 ARG H H 1 0.734852727361 0.172660410554 . . . . . . . . . . 26712 2 74 . 2 2 99 99 ASP N N 15 . 2 2 99 99 ASP H H 1 0.593447988761 0.0858684701642 . . . . . . . . . . 26712 2 75 . 2 2 100 100 MET N N 15 . 2 2 100 100 MET H H 1 0.672696185649 0.0757765063595 . . . . . . . . . . 26712 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_heteronuclear_NOE_bottom _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_heteronuclear_NOE_bottom _Heteronucl_NOE_list.Entry_ID 26712 _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 height _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 1 '600.18 MHz R1' 1 $sample_1 . 26712 3 9 '600.18 MHz steady-state NOE' 1 $sample_1 . 26712 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 . . 26712 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 1 201 201 LYS N N 15 . 1 1 201 201 LYS H H 1 0.759044422971 0.0309479749491 . . . . . . . . . . 26712 3 2 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.838597880047 0.0395650002688 . . . . . . . . . . 26712 3 3 . 1 1 205 205 THR N N 15 . 1 1 205 205 THR H H 1 0.776047625738 0.0307512404327 . . . . . . . . . . 26712 3 4 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.692033960519 0.0280865627479 . . . . . . . . . . 26712 3 5 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.713270188988 0.0530900987763 . . . . . . . . . . 26712 3 6 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.598373539744 0.0406507557517 . . . . . . . . . . 26712 3 7 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.76114468738 0.0717436863827 . . . . . . . . . . 26712 3 8 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.687145943101 0.0335008554861 . . . . . . . . . . 26712 3 9 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.799625719532 0.0279741038656 . . . . . . . . . . 26712 3 10 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.751914628288 0.0323552391629 . . . . . . . . . . 26712 3 11 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.823882068904 0.0347785243083 . . . . . . . . . . 26712 3 12 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.848555778458 0.0299809287605 . . . . . . . . . . 26712 3 13 . 1 1 220 220 ALA N N 15 . 1 1 220 220 ALA H H 1 0.866916546898 0.0309569925515 . . . . . . . . . . 26712 3 14 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.638490747979 0.034188782795 . . . . . . . . . . 26712 3 15 . 1 1 223 223 PHE N N 15 . 1 1 223 223 PHE H H 1 0.869656547339 0.0383554857139 . . . . . . . . . . 26712 3 16 . 1 1 224 224 TYR N N 15 . 1 1 224 224 TYR H H 1 0.766256839734 0.0344370528133 . . . . . . . . . . 26712 3 17 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.774506448507 0.0276956851142 . . . . . . . . . . 26712 3 18 . 1 1 229 229 THR N N 15 . 1 1 229 229 THR H H 1 0.177390414364 0.0170469771281 . . . . . . . . . . 26712 3 19 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.794866268762 0.036398479912 . . . . . . . . . . 26712 3 20 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.809303163733 0.0317279715175 . . . . . . . . . . 26712 3 21 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.65263124925 0.030480014635 . . . . . . . . . . 26712 3 22 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.693047581602 0.0271958174864 . . . . . . . . . . 26712 3 23 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.736117566322 0.05045717346 . . . . . . . . . . 26712 3 24 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.710458618602 0.0281199488268 . . . . . . . . . . 26712 3 25 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.502554540508 0.0466205458328 . . . . . . . . . . 26712 3 26 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.521018784107 0.0331580301247 . . . . . . . . . . 26712 3 27 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.756835664509 0.0345802856685 . . . . . . . . . . 26712 3 28 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.782035802776 0.0287097641789 . . . . . . . . . . 26712 3 29 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.565306326685 0.0298676935476 . . . . . . . . . . 26712 3 30 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.750598185796 0.0325252884451 . . . . . . . . . . 26712 3 31 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.801501285088 0.0385099794659 . . . . . . . . . . 26712 3 32 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.816763155821 0.0439526353289 . . . . . . . . . . 26712 3 33 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.819049180214 0.0700600737658 . . . . . . . . . . 26712 3 34 . 1 1 253 253 ASP N N 15 . 1 1 253 253 ASP H H 1 0.659193980813 0.0672550171192 . . . . . . . . . . 26712 3 35 . 1 1 254 254 ARG N N 15 . 1 1 254 254 ARG H H 1 0.617127687616 0.0824518334212 . . . . . . . . . . 26712 3 36 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.750247726873 0.0738398165675 . . . . . . . . . . 26712 3 37 . 1 1 256 256 PHE N N 15 . 1 1 256 256 PHE H H 1 0.796986435962 0.0393185088687 . . . . . . . . . . 26712 3 38 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.805702347503 0.0374997129247 . . . . . . . . . . 26712 3 39 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.839423661412 0.0365046968075 . . . . . . . . . . 26712 3 40 . 1 1 260 260 ALA N N 15 . 1 1 260 260 ALA H H 1 0.820469362792 0.0331720616048 . . . . . . . . . . 26712 3 41 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.85854533071 0.0350373861384 . . . . . . . . . . 26712 3 42 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.674337718677 0.0252686671741 . . . . . . . . . . 26712 3 43 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.748103287692 0.0272448757742 . . . . . . . . . . 26712 3 44 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.724432704634 0.0336211593948 . . . . . . . . . . 26712 3 45 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.73129851045 0.0310776789131 . . . . . . . . . . 26712 3 46 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.691892133724 0.0327667244186 . . . . . . . . . . 26712 3 47 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.762114615202 0.0286628419867 . . . . . . . . . . 26712 3 48 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.822648875542 0.0308380498506 . . . . . . . . . . 26712 3 49 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.851381772446 0.0329079835091 . . . . . . . . . . 26712 3 50 . 1 1 277 277 GLN N N 15 . 1 1 277 277 GLN H H 1 0.777653421295 0.0269373858784 . . . . . . . . . . 26712 3 51 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.720142810608 0.02548139223 . . . . . . . . . . 26712 3 52 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.763162171036 0.0311197434598 . . . . . . . . . . 26712 3 53 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.802471403571 0.0437941624206 . . . . . . . . . . 26712 3 54 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.722514805232 0.0315140196825 . . . . . . . . . . 26712 3 55 . 1 1 288 288 ARG N N 15 . 1 1 288 288 ARG H H 1 0.707788528311 0.0263709459098 . . . . . . . . . . 26712 3 56 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.651487655973 0.023885740284 . . . . . . . . . . 26712 3 57 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.24170986372 0.0157897409609 . . . . . . . . . . 26712 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_750.46_MHz_heteronuclear_NOE_bottom _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_heteronuclear_NOE_bottom _Heteronucl_NOE_list.Entry_ID 26712 _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 height _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 R1' 1 $sample_1 . 26712 4 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26712 4 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26712 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 1 201 201 LYS N N 15 . 1 1 201 201 LYS H H 1 0.815970888058 0.0378841803139 . . . . . . . . . . 26712 4 2 . 1 1 203 203 HIS N N 15 . 1 1 203 203 HIS H H 1 0.762366731574 0.0356097419365 . . . . . . . . . . 26712 4 3 . 1 1 205 205 THR N N 15 . 1 1 205 205 THR H H 1 0.780122906639 0.0388917844874 . . . . . . . . . . 26712 4 4 . 1 1 206 206 HIS N N 15 . 1 1 206 206 HIS H H 1 0.795169216873 0.0367130972471 . . . . . . . . . . 26712 4 5 . 1 1 209 209 ILE N N 15 . 1 1 209 209 ILE H H 1 0.622619211539 0.0474496744942 . . . . . . . . . . 26712 4 6 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 0.674190567803 0.0401834481927 . . . . . . . . . . 26712 4 7 . 1 1 212 212 HIS N N 15 . 1 1 212 212 HIS H H 1 0.616440128372 0.0786746834399 . . . . . . . . . . 26712 4 8 . 1 1 213 213 GLU N N 15 . 1 1 213 213 GLU H H 1 0.755048052185 0.0396791583683 . . . . . . . . . . 26712 4 9 . 1 1 214 214 ALA N N 15 . 1 1 214 214 ALA H H 1 0.789670689193 0.0360506796802 . . . . . . . . . . 26712 4 10 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.735938184633 0.0388885411046 . . . . . . . . . . 26712 4 11 . 1 1 218 218 CYS N N 15 . 1 1 218 218 CYS H H 1 0.824880732271 0.0419399201467 . . . . . . . . . . 26712 4 12 . 1 1 219 219 TRP N N 15 . 1 1 219 219 TRP H H 1 0.789649287162 0.0336722612223 . . . . . . . . . . 26712 4 13 . 1 1 220 220 ALA N N 15 . 1 1 220 220 ALA H H 1 0.809921143087 0.0362812857596 . . . . . . . . . . 26712 4 14 . 1 1 222 222 GLY N N 15 . 1 1 222 222 GLY H H 1 0.631581773751 0.0388593771704 . . . . . . . . . . 26712 4 15 . 1 1 223 223 PHE N N 15 . 1 1 223 223 PHE H H 1 0.677004652857 0.0317277585618 . . . . . . . . . . 26712 4 16 . 1 1 224 224 TYR N N 15 . 1 1 224 224 TYR H H 1 0.856181983973 0.0439909372014 . . . . . . . . . . 26712 4 17 . 1 1 228 228 ILE N N 15 . 1 1 228 228 ILE H H 1 0.782598525975 0.0310158425452 . . . . . . . . . . 26712 4 18 . 1 1 229 229 THR N N 15 . 1 1 229 229 THR H H 1 0.621882528304 0.0253180039135 . . . . . . . . . . 26712 4 19 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.736093435661 0.0335740706883 . . . . . . . . . . 26712 4 20 . 1 1 233 233 GLN N N 15 . 1 1 233 233 GLN H H 1 0.732047005502 0.0367260065467 . . . . . . . . . . 26712 4 21 . 1 1 234 234 ARG N N 15 . 1 1 234 234 ARG H H 1 0.754646838934 0.035328854328 . . . . . . . . . . 26712 4 22 . 1 1 235 235 ASP N N 15 . 1 1 235 235 ASP H H 1 0.750706987305 0.0384141665405 . . . . . . . . . . 26712 4 23 . 1 1 236 236 GLY N N 15 . 1 1 236 236 GLY H H 1 0.641902858151 0.0497598930273 . . . . . . . . . . 26712 4 24 . 1 1 237 237 GLU N N 15 . 1 1 237 237 GLU H H 1 0.714001169106 0.0313093387526 . . . . . . . . . . 26712 4 25 . 1 1 242 242 ASP N N 15 . 1 1 242 242 ASP H H 1 0.576422106071 0.0480303471318 . . . . . . . . . . 26712 4 26 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.59357231218 0.0348885562697 . . . . . . . . . . 26712 4 27 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.78293263261 0.0371018749915 . . . . . . . . . . 26712 4 28 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.735193083058 0.0351403319131 . . . . . . . . . . 26712 4 29 . 1 1 246 246 VAL N N 15 . 1 1 246 246 VAL H H 1 0.623397538212 0.0363428209263 . . . . . . . . . . 26712 4 30 . 1 1 247 247 GLU N N 15 . 1 1 247 247 GLU H H 1 0.754179253612 0.0342084212445 . . . . . . . . . . 26712 4 31 . 1 1 249 249 ARG N N 15 . 1 1 249 249 ARG H H 1 0.790995696995 0.0439086593171 . . . . . . . . . . 26712 4 32 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.769495567711 0.0412401685884 . . . . . . . . . . 26712 4 33 . 1 1 252 252 GLY N N 15 . 1 1 252 252 GLY H H 1 0.718213194935 0.0590941309585 . . . . . . . . . . 26712 4 34 . 1 1 253 253 ASP N N 15 . 1 1 253 253 ASP H H 1 0.717646040153 0.0543184283045 . . . . . . . . . . 26712 4 35 . 1 1 254 254 ARG N N 15 . 1 1 254 254 ARG H H 1 0.851854529059 0.0873878106525 . . . . . . . . . . 26712 4 36 . 1 1 255 255 THR N N 15 . 1 1 255 255 THR H H 1 0.602077285295 0.0625591368712 . . . . . . . . . . 26712 4 37 . 1 1 256 256 PHE N N 15 . 1 1 256 256 PHE H H 1 0.824235048265 0.0408836047012 . . . . . . . . . . 26712 4 38 . 1 1 257 257 GLN N N 15 . 1 1 257 257 GLN H H 1 0.825195391157 0.0395538645047 . . . . . . . . . . 26712 4 39 . 1 1 259 259 TRP N N 15 . 1 1 259 259 TRP H H 1 0.807274551028 0.0456009469235 . . . . . . . . . . 26712 4 40 . 1 1 260 260 ALA N N 15 . 1 1 260 260 ALA H H 1 0.855164810836 0.038181725562 . . . . . . . . . . 26712 4 41 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.843471765307 0.0538795310601 . . . . . . . . . . 26712 4 42 . 1 1 263 263 VAL N N 15 . 1 1 263 263 VAL H H 1 0.722294341715 0.0319436839772 . . . . . . . . . . 26712 4 43 . 1 1 267 267 GLY N N 15 . 1 1 267 267 GLY H H 1 0.7486221613 0.0342399280478 . . . . . . . . . . 26712 4 44 . 1 1 269 269 GLU N N 15 . 1 1 269 269 GLU H H 1 0.729721623061 0.0430299356856 . . . . . . . . . . 26712 4 45 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.77549055119 0.0433347322353 . . . . . . . . . . 26712 4 46 . 1 1 272 272 TYR N N 15 . 1 1 272 272 TYR H H 1 0.678778859917 0.0370730645639 . . . . . . . . . . 26712 4 47 . 1 1 273 273 THR N N 15 . 1 1 273 273 THR H H 1 0.713889489072 0.0337418700692 . . . . . . . . . . 26712 4 48 . 1 1 275 275 HIS N N 15 . 1 1 275 275 HIS H H 1 0.840081860257 0.0392649568241 . . . . . . . . . . 26712 4 49 . 1 1 276 276 VAL N N 15 . 1 1 276 276 VAL H H 1 0.810285944418 0.0389718183853 . . . . . . . . . . 26712 4 50 . 1 1 277 277 GLN N N 15 . 1 1 277 277 GLN H H 1 0.8197921233 0.0360326139844 . . . . . . . . . . 26712 4 51 . 1 1 278 278 HIS N N 15 . 1 1 278 278 HIS H H 1 0.751267820995 0.0320396054011 . . . . . . . . . . 26712 4 52 . 1 1 279 279 GLU N N 15 . 1 1 279 279 GLU H H 1 0.804275427253 0.0390963589015 . . . . . . . . . . 26712 4 53 . 1 1 280 280 GLY N N 15 . 1 1 280 280 GLY H H 1 0.737983354315 0.0569194834156 . . . . . . . . . . 26712 4 54 . 1 1 287 287 LEU N N 15 . 1 1 287 287 LEU H H 1 0.754953779687 0.0391513048193 . . . . . . . . . . 26712 4 55 . 1 1 288 288 ARG N N 15 . 1 1 288 288 ARG H H 1 0.706285301139 0.0293339605416 . . . . . . . . . . 26712 4 56 . 1 1 289 289 TRP N N 15 . 1 1 289 289 TRP H H 1 0.666512969371 0.0292790783234 . . . . . . . . . . 26712 4 57 . 1 1 290 290 GLU N N 15 . 1 1 290 290 GLU H H 1 0.291437982166 0.0212475755766 . . . . . . . . . . 26712 4 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_600.18_MHz_heteronuclear_NOE_top _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 600.18_MHz_heteronuclear_NOE_top _Heteronucl_NOE_list.Entry_ID 26712 _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 height _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 1 '600.18 MHz steady-state NOE' 1 $sample_1 . 26712 5 9 '600.18 MHz steady-state NOE' 1 $sample_1 . 26712 5 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26712 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 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.79891223078 0.0396724989676 . . . . . . . . . . 26712 5 2 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.87990282441 0.102260773161 . . . . . . . . . . 26712 5 3 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.794579153729 0.0870227476618 . . . . . . . . . . 26712 5 4 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.745810724596 0.0760207853959 . . . . . . . . . . 26712 5 5 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.833464462856 0.0620218550187 . . . . . . . . . . 26712 5 6 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.218841807335 0.0540013521892 . . . . . . . . . . 26712 5 7 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.627801130039 0.154362075472 . . . . . . . . . . 26712 5 8 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.653585151974 0.0589797365743 . . . . . . . . . . 26712 5 9 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.800286714351 0.055066807059 . . . . . . . . . . 26712 5 10 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.905066005014 0.0736319056428 . . . . . . . . . . 26712 5 11 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.800608409905 0.0585260143976 . . . . . . . . . . 26712 5 12 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.752430077049 0.0472186138942 . . . . . . . . . . 26712 5 13 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.880483390559 0.0555017233274 . . . . . . . . . . 26712 5 14 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.858586009027 0.0356490816949 . . . . . . . . . . 26712 5 15 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.829841589675 0.062962233346 . . . . . . . . . . 26712 5 16 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.829343420438 0.0464671722047 . . . . . . . . . . 26712 5 17 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.857049825855 0.0358121921053 . . . . . . . . . . 26712 5 18 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.933423420137 0.105964255005 . . . . . . . . . . 26712 5 19 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.686901441855 0.0488792195559 . . . . . . . . . . 26712 5 20 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.774379396769 0.0572790661491 . . . . . . . . . . 26712 5 21 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.852915148527 0.0478680193188 . . . . . . . . . . 26712 5 22 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.74904814566 0.0480721865123 . . . . . . . . . . 26712 5 23 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.743639987579 0.0451242268828 . . . . . . . . . . 26712 5 24 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.0720809074692 0.0136778355312 . . . . . . . . . . 26712 5 25 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.279079664334 0.0392404151614 . . . . . . . . . . 26712 5 26 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.367045758606 0.0422860244253 . . . . . . . . . . 26712 5 27 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.788191942769 0.05004588419 . . . . . . . . . . 26712 5 28 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.777501497868 0.052721672941 . . . . . . . . . . 26712 5 29 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.725221052341 0.0663591357246 . . . . . . . . . . 26712 5 30 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.7089704831 0.0632048532932 . . . . . . . . . . 26712 5 31 . 1 1 69 69 GLN N N 15 . 1 1 69 69 GLN H H 1 0.3873516184 0.0483088441841 . . . . . . . . . . 26712 5 32 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.748559438491 0.0376387977642 . . . . . . . . . . 26712 5 33 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.667459240498 0.045557036631 . . . . . . . . . . 26712 5 34 . 1 1 75 75 TRP N N 15 . 1 1 75 75 TRP H H 1 0.820937572213 0.0739708456085 . . . . . . . . . . 26712 5 35 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.699182485186 0.0631555586821 . . . . . . . . . . 26712 5 36 . 1 1 79 79 THR N N 15 . 1 1 79 79 THR H H 1 0.902265144838 0.104680916673 . . . . . . . . . . 26712 5 37 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.957404169905 0.110241084266 . . . . . . . . . . 26712 5 38 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.936238099407 0.118037282368 . . . . . . . . . . 26712 5 39 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.652768560293 0.0674501736081 . . . . . . . . . . 26712 5 40 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.576990984135 0.0325868376262 . . . . . . . . . . 26712 5 41 . 1 1 86 86 ALA N N 15 . 1 1 86 86 ALA H H 1 0.878243120705 0.116314834795 . . . . . . . . . . 26712 5 42 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.82308945423 0.109914688258 . . . . . . . . . . 26712 5 43 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.758844645128 0.0774104716105 . . . . . . . . . . 26712 5 44 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.517471897159 0.0481818435953 . . . . . . . . . . 26712 5 45 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.847029199572 0.112549136474 . . . . . . . . . . 26712 5 46 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.955245129703 0.127247833452 . . . . . . . . . . 26712 5 47 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.795360219326 0.0851264494287 . . . . . . . . . . 26712 5 48 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.775681560982 0.0868096458814 . . . . . . . . . . 26712 5 49 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.913648266333 0.0581359400201 . . . . . . . . . . 26712 5 50 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.84169455861 0.0435075097016 . . . . . . . . . . 26712 5 51 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.830757558007 0.0779528498779 . . . . . . . . . . 26712 5 52 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.732523523355 0.0548745471607 . . . . . . . . . . 26712 5 53 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.849501420282 0.0365923881354 . . . . . . . . . . 26712 5 54 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.104026299823 0.0753101183247 . . . . . . . . . . 26712 5 55 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.526579375424 0.0564804763151 . . . . . . . . . . 26712 5 56 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.627129396788 0.0532670141074 . . . . . . . . . . 26712 5 57 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.814993098232 0.0617195694537 . . . . . . . . . . 26712 5 58 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.755058648403 0.092195498812 . . . . . . . . . . 26712 5 59 . 1 1 113 113 MET N N 15 . 1 1 113 113 MET H H 1 0.83633901206 0.100288780234 . . . . . . . . . . 26712 5 60 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.906401866903 0.113411271708 . . . . . . . . . . 26712 5 61 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.839606348986 0.0871317356369 . . . . . . . . . . 26712 5 62 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.781129067434 0.0777134562873 . . . . . . . . . . 26712 5 63 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.715205253659 0.0579482262115 . . . . . . . . . . 26712 5 64 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.798156829946 0.0531961404479 . . . . . . . . . . 26712 5 65 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.673317959767 0.042317556634 . . . . . . . . . . 26712 5 66 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.735918095777 0.041317439572 . . . . . . . . . . 26712 5 67 . 1 1 123 123 ARG N N 15 . 1 1 123 123 ARG H H 1 0.634218639767 0.0289777799815 . . . . . . . . . . 26712 5 68 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.689423325575 0.0557954815639 . . . . . . . . . . 26712 5 69 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.716630941762 0.0931699903506 . . . . . . . . . . 26712 5 70 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.820812033145 0.123664902763 . . . . . . . . . . 26712 5 71 . 1 1 128 128 TYR N N 15 . 1 1 128 128 TYR H H 1 0.873332574064 0.107276581762 . . . . . . . . . . 26712 5 72 . 1 1 129 129 HIS N N 15 . 1 1 129 129 HIS H H 1 0.783209289007 0.0789452342909 . . . . . . . . . . 26712 5 73 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.706839063322 0.120957659839 . . . . . . . . . . 26712 5 74 . 1 1 132 132 ALA N N 15 . 1 1 132 132 ALA H H 1 0.930324374274 0.0906147745249 . . . . . . . . . . 26712 5 75 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.721481356004 0.0623260353581 . . . . . . . . . . 26712 5 76 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.797263982017 0.082744368921 . . . . . . . . . . 26712 5 77 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.785404485727 0.110352587231 . . . . . . . . . . 26712 5 78 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.824611688718 0.103039825544 . . . . . . . . . . 26712 5 79 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.89938534396 0.0976053409774 . . . . . . . . . . 26712 5 80 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.73584613967 0.055647617559 . . . . . . . . . . 26712 5 81 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.760790820607 0.0381504656999 . . . . . . . . . . 26712 5 82 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.832269026453 0.0948609377422 . . . . . . . . . . 26712 5 83 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.695801632058 0.0727919382348 . . . . . . . . . . 26712 5 84 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.59934396009 0.0726546697366 . . . . . . . . . . 26712 5 85 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.771942255261 0.0543918054578 . . . . . . . . . . 26712 5 86 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.85888073815 0.0605271366283 . . . . . . . . . . 26712 5 87 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.626291515795 0.0770765185794 . . . . . . . . . . 26712 5 88 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.727972834599 0.0358198549994 . . . . . . . . . . 26712 5 89 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.723618979717 0.0982986804785 . . . . . . . . . . 26712 5 90 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.710237950135 0.0469498327998 . . . . . . . . . . 26712 5 91 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 0.906038337843 0.0881734151191 . . . . . . . . . . 26712 5 92 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.763550095574 0.0707394262378 . . . . . . . . . . 26712 5 93 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.713069951393 0.0865722019645 . . . . . . . . . . 26712 5 94 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.739602209312 0.095821988494 . . . . . . . . . . 26712 5 95 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.90757930437 0.0809565720674 . . . . . . . . . . 26712 5 96 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.775140896572 0.0569129662941 . . . . . . . . . . 26712 5 97 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.852608426217 0.0820930751202 . . . . . . . . . . 26712 5 98 . 1 1 164 164 ALA N N 15 . 1 1 164 164 ALA H H 1 0.705837117706 0.0859815457912 . . . . . . . . . . 26712 5 99 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.669051614566 0.0848566620994 . . . . . . . . . . 26712 5 100 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.796181379128 0.105502777416 . . . . . . . . . . 26712 5 101 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.885420504488 0.0959151429998 . . . . . . . . . . 26712 5 102 . 1 1 170 170 GLN N N 15 . 1 1 170 170 GLN H H 1 0.638608370814 0.0885291153724 . . . . . . . . . . 26712 5 103 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.624348785327 0.0690693977068 . . . . . . . . . . 26712 5 104 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.866197918134 0.102175794004 . . . . . . . . . . 26712 5 105 . 1 1 174 174 TYR N N 15 . 1 1 174 174 TYR H H 1 0.728197884623 0.0885252643039 . . . . . . . . . . 26712 5 106 . 1 1 175 175 LEU N N 15 . 1 1 175 175 LEU H H 1 0.859647617715 0.0835072069143 . . . . . . . . . . 26712 5 107 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.704485925901 0.0924955786579 . . . . . . . . . . 26712 5 108 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.701022556693 0.0354205878823 . . . . . . . . . . 26712 5 109 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.606204754607 0.0568075511751 . . . . . . . . . . 26712 5 110 . 1 1 179 179 CYS N N 15 . 1 1 179 179 CYS H H 1 0.837201215756 0.118771997119 . . . . . . . . . . 26712 5 111 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.862981369063 0.0630915183689 . . . . . . . . . . 26712 5 112 . 1 1 181 181 GLU N N 15 . 1 1 181 181 GLU H H 1 0.826003015135 0.0670611697165 . . . . . . . . . . 26712 5 113 . 1 1 185 185 ARG N N 15 . 1 1 185 185 ARG H H 1 0.92079147183 0.0690593603873 . . . . . . . . . . 26712 5 114 . 1 1 187 187 LEU N N 15 . 1 1 187 187 LEU H H 1 0.84611009332 0.0711668665949 . . . . . . . . . . 26712 5 115 . 1 1 188 188 GLU N N 15 . 1 1 188 188 GLU H H 1 0.870580814009 0.0947643463437 . . . . . . . . . . 26712 5 116 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.715762032898 0.0378546471713 . . . . . . . . . . 26712 5 117 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.732132327074 0.0466730377942 . . . . . . . . . . 26712 5 118 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.626609561986 0.0714982375101 . . . . . . . . . . 26712 5 119 . 1 1 195 195 GLN N N 15 . 1 1 195 195 GLN H H 1 0.697915616718 0.0701344617836 . . . . . . . . . . 26712 5 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_750.46_MHz_heteronuclear_NOE_top _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode 750.46_MHz_heteronuclear_NOE_top _Heteronucl_NOE_list.Entry_ID 26712 _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 height _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 . 26712 6 12 '750.46 MHz steady-state NOE' 1 $sample_1 . 26712 6 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $relax . . 26712 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 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.750595992676 0.0411407353718 . . . . . . . . . . 26712 6 2 . 1 1 21 21 ARG N N 15 . 1 1 21 21 ARG H H 1 0.706305125536 0.0749777798228 . . . . . . . . . . 26712 6 3 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.838879966382 0.0751185272093 . . . . . . . . . . 26712 6 4 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.933469547743 0.10266374613 . . . . . . . . . . 26712 6 5 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.785986231107 0.0478757101469 . . . . . . . . . . 26712 6 6 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.430599478464 0.0920487697629 . . . . . . . . . . 26712 6 7 . 1 1 33 33 GLY N N 15 . 1 1 33 33 GLY H H 1 0.997310769895 0.261114906755 . . . . . . . . . . 26712 6 8 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.728196579479 0.0524751161828 . . . . . . . . . . 26712 6 9 . 1 1 36 36 ARG N N 15 . 1 1 36 36 ARG H H 1 0.865795108603 0.0555252561415 . . . . . . . . . . 26712 6 10 . 1 1 37 37 PHE N N 15 . 1 1 37 37 PHE H H 1 0.695799743545 0.0671416454261 . . . . . . . . . . 26712 6 11 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.87711348066 0.0544857025123 . . . . . . . . . . 26712 6 12 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.831881105776 0.076492312774 . . . . . . . . . . 26712 6 13 . 1 1 41 41 GLY N N 15 . 1 1 41 41 GLY H H 1 0.801846821442 0.0577627028496 . . . . . . . . . . 26712 6 14 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 0.829890498115 0.0413594383436 . . . . . . . . . . 26712 6 15 . 1 1 45 45 ASP N N 15 . 1 1 45 45 ASP H H 1 0.813153214728 0.0637270394352 . . . . . . . . . . 26712 6 16 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.848558548901 0.0573160204342 . . . . . . . . . . 26712 6 17 . 1 1 47 47 LEU N N 15 . 1 1 47 47 LEU H H 1 0.755897311015 0.0413287500397 . . . . . . . . . . 26712 6 18 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.793038540737 0.0909523818215 . . . . . . . . . . 26712 6 19 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.802097440094 0.0572922582273 . . . . . . . . . . 26712 6 20 . 1 1 51 51 PHE N N 15 . 1 1 51 51 PHE H H 1 0.848623044768 0.0707825067383 . . . . . . . . . . 26712 6 21 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.8367935858 0.0523945068396 . . . . . . . . . . 26712 6 22 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.784357746326 0.0534823786903 . . . . . . . . . . 26712 6 23 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.697700587872 0.0399127342599 . . . . . . . . . . 26712 6 24 . 1 1 55 55 ALA N N 15 . 1 1 55 55 ALA H H 1 0.164644714977 0.0203641544665 . . . . . . . . . . 26712 6 25 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.35747568529 0.0534735038243 . . . . . . . . . . 26712 6 26 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.417678592639 0.0649991217687 . . . . . . . . . . 26712 6 27 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.864698353552 0.0641523341133 . . . . . . . . . . 26712 6 28 . 1 1 66 66 TRP N N 15 . 1 1 66 66 TRP H H 1 0.763535183711 0.0541414138071 . . . . . . . . . . 26712 6 29 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.68787885471 0.0690795043909 . . . . . . . . . . 26712 6 30 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.74056685979 0.0693482539102 . . . . . . . . . . 26712 6 31 . 1 1 69 69 GLN N N 15 . 1 1 69 69 GLN H H 1 0.490436653254 0.0479678741197 . . . . . . . . . . 26712 6 32 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.804694965936 0.038114304485 . . . . . . . . . . 26712 6 33 . 1 1 74 74 TYR N N 15 . 1 1 74 74 TYR H H 1 0.819799826891 0.0499510689438 . . . . . . . . . . 26712 6 34 . 1 1 75 75 TRP N N 15 . 1 1 75 75 TRP H H 1 0.835100074431 0.0731219481917 . . . . . . . . . . 26712 6 35 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.844030615093 0.0771938178949 . . . . . . . . . . 26712 6 36 . 1 1 79 79 THR N N 15 . 1 1 79 79 THR H H 1 0.876698719156 0.133377576823 . . . . . . . . . . 26712 6 37 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.863185112238 0.101200434234 . . . . . . . . . . 26712 6 38 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.963785317577 0.0876166777549 . . . . . . . . . . 26712 6 39 . 1 1 84 84 ALA N N 15 . 1 1 84 84 ALA H H 1 0.694889760036 0.0786137099082 . . . . . . . . . . 26712 6 40 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.614651086154 0.0318447858909 . . . . . . . . . . 26712 6 41 . 1 1 86 86 ALA N N 15 . 1 1 86 86 ALA H H 1 0.906271518008 0.0827988096185 . . . . . . . . . . 26712 6 42 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.7893861965 0.0727717196266 . . . . . . . . . . 26712 6 43 . 1 1 88 88 THR N N 15 . 1 1 88 88 THR H H 1 0.728298065544 0.0821631951667 . . . . . . . . . . 26712 6 44 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.712401971755 0.0697761211549 . . . . . . . . . . 26712 6 45 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.766486696382 0.0808743274366 . . . . . . . . . . 26712 6 46 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.759517253441 0.0881561402976 . . . . . . . . . . 26712 6 47 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.772798819919 0.0887870034953 . . . . . . . . . . 26712 6 48 . 1 1 94 94 ARG N N 15 . 1 1 94 94 ARG H H 1 0.745369086165 0.0750913500804 . . . . . . . . . . 26712 6 49 . 1 1 97 97 LEU N N 15 . 1 1 97 97 LEU H H 1 0.826611241573 0.0547307467869 . . . . . . . . . . 26712 6 50 . 1 1 98 98 ARG N N 15 . 1 1 98 98 ARG H H 1 0.778697835348 0.044980578566 . . . . . . . . . . 26712 6 51 . 1 1 99 99 TYR N N 15 . 1 1 99 99 TYR H H 1 0.817871176995 0.0584051090334 . . . . . . . . . . 26712 6 52 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.817952868982 0.0537108919559 . . . . . . . . . . 26712 6 53 . 1 1 102 102 GLN N N 15 . 1 1 102 102 GLN H H 1 0.790019994459 0.0408419569689 . . . . . . . . . . 26712 6 54 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 -0.174062034075 0.102399993614 . . . . . . . . . . 26712 6 55 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.621090913244 0.0727722466359 . . . . . . . . . . 26712 6 56 . 1 1 108 108 HIS N N 15 . 1 1 108 108 HIS H H 1 0.778626614162 0.0511609921166 . . . . . . . . . . 26712 6 57 . 1 1 109 109 THR N N 15 . 1 1 109 109 THR H H 1 0.804667878993 0.0561377776513 . . . . . . . . . . 26712 6 58 . 1 1 110 110 LEU N N 15 . 1 1 110 110 LEU H H 1 0.786228018629 0.0774795383107 . . . . . . . . . . 26712 6 59 . 1 1 113 113 MET N N 15 . 1 1 113 113 MET H H 1 0.96551389521 0.159383082965 . . . . . . . . . . 26712 6 60 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.779270179852 0.072152878774 . . . . . . . . . . 26712 6 61 . 1 1 116 116 CYS N N 15 . 1 1 116 116 CYS H H 1 0.760928780481 0.0892337288086 . . . . . . . . . . 26712 6 62 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.778882609321 0.0752500717971 . . . . . . . . . . 26712 6 63 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.812985050436 0.0588391110736 . . . . . . . . . . 26712 6 64 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 0.77576037276 0.0542253837107 . . . . . . . . . . 26712 6 65 . 1 1 121 121 ASP N N 15 . 1 1 121 121 ASP H H 1 0.636889149183 0.0439834615712 . . . . . . . . . . 26712 6 66 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.693718008567 0.0479476134903 . . . . . . . . . . 26712 6 67 . 1 1 123 123 ARG N N 15 . 1 1 123 123 ARG H H 1 0.689996783326 0.029831444313 . . . . . . . . . . 26712 6 68 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.91079874625 0.0746293525055 . . . . . . . . . . 26712 6 69 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 0.782700374401 0.0914168523457 . . . . . . . . . . 26712 6 70 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.624616569227 0.0731615424112 . . . . . . . . . . 26712 6 71 . 1 1 128 128 TYR N N 15 . 1 1 128 128 TYR H H 1 0.811747146295 0.0985156174408 . . . . . . . . . . 26712 6 72 . 1 1 129 129 HIS N N 15 . 1 1 129 129 HIS H H 1 1.01051096472 0.185242357591 . . . . . . . . . . 26712 6 73 . 1 1 130 130 GLN N N 15 . 1 1 130 130 GLN H H 1 0.832325616733 0.147099525061 . . . . . . . . . . 26712 6 74 . 1 1 132 132 ALA N N 15 . 1 1 132 132 ALA H H 1 0.808056385532 0.103361005336 . . . . . . . . . . 26712 6 75 . 1 1 134 134 ASP N N 15 . 1 1 134 134 ASP H H 1 0.829267404494 0.0702787959398 . . . . . . . . . . 26712 6 76 . 1 1 135 135 GLY N N 15 . 1 1 135 135 GLY H H 1 0.686154692376 0.0919168203327 . . . . . . . . . . 26712 6 77 . 1 1 139 139 ILE N N 15 . 1 1 139 139 ILE H H 1 0.683404715797 0.0891107245411 . . . . . . . . . . 26712 6 78 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.931574211299 0.128940190027 . . . . . . . . . . 26712 6 79 . 1 1 141 141 LEU N N 15 . 1 1 141 141 LEU H H 1 0.87025833654 0.0788607509671 . . . . . . . . . . 26712 6 80 . 1 1 143 143 GLU N N 15 . 1 1 143 143 GLU H H 1 0.71920740444 0.0628385769946 . . . . . . . . . . 26712 6 81 . 1 1 144 144 ASP N N 15 . 1 1 144 144 ASP H H 1 0.791488034427 0.0403694112988 . . . . . . . . . . 26712 6 82 . 1 1 145 145 LEU N N 15 . 1 1 145 145 LEU H H 1 0.800630621436 0.0844406025983 . . . . . . . . . . 26712 6 83 . 1 1 146 146 SER N N 15 . 1 1 146 146 SER H H 1 0.817802287711 0.0817073947294 . . . . . . . . . . 26712 6 84 . 1 1 147 147 SER N N 15 . 1 1 147 147 SER H H 1 0.672112188619 0.0706702784037 . . . . . . . . . . 26712 6 85 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.831985832734 0.0544148355564 . . . . . . . . . . 26712 6 86 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.745681350313 0.0682864421396 . . . . . . . . . . 26712 6 87 . 1 1 151 151 ALA N N 15 . 1 1 151 151 ALA H H 1 0.72120389849 0.082865709646 . . . . . . . . . . 26712 6 88 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.701108452436 0.0371843067277 . . . . . . . . . . 26712 6 89 . 1 1 153 153 THR N N 15 . 1 1 153 153 THR H H 1 0.715835921137 0.0781257639565 . . . . . . . . . . 26712 6 90 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 0.71470368364 0.0460202239751 . . . . . . . . . . 26712 6 91 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 0.796954179208 0.0957232323075 . . . . . . . . . . 26712 6 92 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.75330142271 0.0592475266411 . . . . . . . . . . 26712 6 93 . 1 1 157 157 ILE N N 15 . 1 1 157 157 ILE H H 1 0.834473028681 0.0781958517265 . . . . . . . . . . 26712 6 94 . 1 1 158 158 THR N N 15 . 1 1 158 158 THR H H 1 0.782851021912 0.0898103595486 . . . . . . . . . . 26712 6 95 . 1 1 160 160 ARG N N 15 . 1 1 160 160 ARG H H 1 0.829238544672 0.0640942846778 . . . . . . . . . . 26712 6 96 . 1 1 161 161 LYS N N 15 . 1 1 161 161 LYS H H 1 0.80322686046 0.0568554593695 . . . . . . . . . . 26712 6 97 . 1 1 163 163 GLU N N 15 . 1 1 163 163 GLU H H 1 0.771394761588 0.0727872587054 . . . . . . . . . . 26712 6 98 . 1 1 164 164 ALA N N 15 . 1 1 164 164 ALA H H 1 0.763589179298 0.0759045277457 . . . . . . . . . . 26712 6 99 . 1 1 165 165 ALA N N 15 . 1 1 165 165 ALA H H 1 0.799506043336 0.0699256055397 . . . . . . . . . . 26712 6 100 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.766163949637 0.082672936254 . . . . . . . . . . 26712 6 101 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.758684497909 0.0700951728902 . . . . . . . . . . 26712 6 102 . 1 1 170 170 GLN N N 15 . 1 1 170 170 GLN H H 1 0.752468161505 0.0716838170488 . . . . . . . . . . 26712 6 103 . 1 1 172 172 ARG N N 15 . 1 1 172 172 ARG H H 1 0.759810644685 0.0976611789868 . . . . . . . . . . 26712 6 104 . 1 1 173 173 ALA N N 15 . 1 1 173 173 ALA H H 1 0.857532885884 0.0899225629579 . . . . . . . . . . 26712 6 105 . 1 1 174 174 TYR N N 15 . 1 1 174 174 TYR H H 1 0.721684681839 0.0746189488387 . . . . . . . . . . 26712 6 106 . 1 1 175 175 LEU N N 15 . 1 1 175 175 LEU H H 1 0.740249504749 0.104757352337 . . . . . . . . . . 26712 6 107 . 1 1 176 176 GLU N N 15 . 1 1 176 176 GLU H H 1 0.785028045281 0.0726745036146 . . . . . . . . . . 26712 6 108 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.773126654077 0.0445261199571 . . . . . . . . . . 26712 6 109 . 1 1 178 178 GLU N N 15 . 1 1 178 178 GLU H H 1 0.778324054422 0.0798508426152 . . . . . . . . . . 26712 6 110 . 1 1 179 179 CYS N N 15 . 1 1 179 179 CYS H H 1 0.794107324446 0.0727117324257 . . . . . . . . . . 26712 6 111 . 1 1 180 180 VAL N N 15 . 1 1 180 180 VAL H H 1 0.734228129536 0.0613126062223 . . . . . . . . . . 26712 6 112 . 1 1 181 181 GLU N N 15 . 1 1 181 181 GLU H H 1 0.77717630947 0.0582882232102 . . . . . . . . . . 26712 6 113 . 1 1 185 185 ARG N N 15 . 1 1 185 185 ARG H H 1 0.818259695223 0.0655864482768 . . . . . . . . . . 26712 6 114 . 1 1 187 187 LEU N N 15 . 1 1 187 187 LEU H H 1 0.818232294687 0.0591537027559 . . . . . . . . . . 26712 6 115 . 1 1 188 188 GLU N N 15 . 1 1 188 188 GLU H H 1 0.860624559144 0.0696771270287 . . . . . . . . . . 26712 6 116 . 1 1 191 191 LYS N N 15 . 1 1 191 191 LYS H H 1 0.780431301073 0.0459153028146 . . . . . . . . . . 26712 6 117 . 1 1 192 192 GLU N N 15 . 1 1 192 192 GLU H H 1 0.7652755533 0.0491680212955 . . . . . . . . . . 26712 6 118 . 1 1 193 193 THR N N 15 . 1 1 193 193 THR H H 1 0.776160734985 0.0750123988853 . . . . . . . . . . 26712 6 119 . 1 1 195 195 GLN N N 15 . 1 1 195 195 GLN H H 1 0.728646766069 0.0584072787819 . . . . . . . . . . 26712 6 stop_ save_