############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 16426 _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 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _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 11 T1_T2_HNNOE . . . 16426 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 3 $SPARKY . . 16426 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 4 4 MET N N 15 . 1 1 4 4 MET H H 1 -0.924669638 0.046233482 . . . 29 M . . 29 M . 16426 1 2 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 -1.028031295 0.051401565 . . . 30 E . . 30 E . 16426 1 3 . 1 1 6 6 CYS N N 15 . 1 1 6 6 CYS H H 1 -0.776057691 0.038802885 . . . 31 C . . 31 C . 16426 1 4 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 -0.548079537 0.027403977 . . . 32 A . . 32 A . 16426 1 5 . 1 1 8 8 ASP N N 15 . 1 1 8 8 ASP H H 1 -0.596551339 0.029827567 . . . 33 D . . 33 D . 16426 1 6 . 1 1 9 9 VAL N N 15 . 1 1 9 9 VAL H H 1 -0.112943824 0.005647191 . . . 34 V . . 34 V . 16426 1 7 . 1 1 11 11 LEU N N 15 . 1 1 11 11 LEU H H 1 -0.558247737 0.027912387 . . . 36 L . . 36 L . 16426 1 8 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 -0.143961993 0.0071981 . . . 37 L . . 37 L . 16426 1 9 . 1 1 13 13 TPO N N 15 . 1 1 13 13 TPO H H 1 0.04758923 0.002379461 . . . 38 T . . 38 T . 16426 1 10 . 1 1 15 15 SER N N 15 . 1 1 15 15 SER H H 1 0.132913385 0.006645669 . . . 40 S . . 40 S . 16426 1 11 . 1 1 16 16 SEP N N 15 . 1 1 16 16 SEP H H 1 0.329684855 0.016484243 . . . 41 S . . 41 S . 16426 1 12 . 1 1 17 17 LYS N N 15 . 1 1 17 17 LYS H H 1 0.375736638 0.018786832 . . . 42 K . . 42 K . 16426 1 13 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.288343908 0.014417195 . . . 43 E . . 43 E . 16426 1 14 . 1 1 19 19 MET N N 15 . 1 1 19 19 MET H H 1 0.204335297 0.010216765 . . . 44 M . . 44 M . 16426 1 15 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 0.332034565 0.016601728 . . . 45 M . . 45 M . 16426 1 16 . 1 1 21 21 SER N N 15 . 1 1 21 21 SER H H 1 0.409217057 0.020460853 . . . 46 S . . 46 S . 16426 1 17 . 1 1 22 22 GLN N N 15 . 1 1 22 22 GLN H H 1 0.377260697 0.018863035 . . . 47 Q . . 47 Q . 16426 1 18 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.499429184 0.024971459 . . . 48 A . . 48 A . 16426 1 19 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.458851419 0.022942571 . . . 49 L . . 49 L . 16426 1 20 . 1 1 25 25 LYS N N 15 . 1 1 25 25 LYS H H 1 0.495727474 0.024786374 . . . 50 K . . 50 K . 16426 1 21 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.610048559 0.030502428 . . . 51 A . . 51 A . 16426 1 22 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.614468959 0.030723448 . . . 52 T . . 52 T . 16426 1 23 . 1 1 28 28 PHE N N 15 . 1 1 28 28 PHE H H 1 0.648760549 0.032438027 . . . 53 F . . 53 F . 16426 1 24 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.791801469 0.039590073 . . . 54 S . . 54 S . 16426 1 25 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.766711872 0.038335594 . . . 55 G . . 55 G . 16426 1 26 . 1 1 31 31 PHE N N 15 . 1 1 31 31 PHE H H 1 0.763216561 0.038160828 . . . 56 F . . 56 F . 16426 1 27 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.733652606 0.03668263 . . . 57 T . . 57 T . 16426 1 28 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.696748162 0.034837408 . . . 58 K . . 58 K . 16426 1 29 . 1 1 34 34 GLU N N 15 . 1 1 34 34 GLU H H 1 0.718937688 0.035946884 . . . 59 E . . 59 E . 16426 1 30 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.741629694 0.037081485 . . . 60 Q . . 60 Q . 16426 1 31 . 1 1 36 36 GLN N N 15 . 1 1 36 36 GLN H H 1 0.729274154 0.036463708 . . . 61 Q . . 61 Q . 16426 1 32 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.738534424 0.036926721 . . . 63 L . . 63 L . 16426 1 33 . 1 1 39 39 GLY N N 15 . 1 1 39 39 GLY H H 1 0.766003632 0.038300182 . . . 64 G . . 64 G . 16426 1 34 . 1 1 40 40 ILE N N 15 . 1 1 40 40 ILE H H 1 0.806197442 0.040309872 . . . 65 I . . 65 I . 16426 1 35 . 1 1 42 42 LYS N N 15 . 1 1 42 42 LYS H H 1 0.720305407 0.03601527 . . . 67 K . . 67 K . 16426 1 36 . 1 1 45 45 ARG N N 15 . 1 1 45 45 ARG H H 1 0.782826027 0.039141301 . . . 70 R . . 70 R . 16426 1 37 . 1 1 46 46 GLN N N 15 . 1 1 46 46 GLN H H 1 0.805994045 0.040299702 . . . 71 Q . . 71 Q . 16426 1 38 . 1 1 47 47 TRP N N 15 . 1 1 47 47 TRP H H 1 0.759563737 0.037978187 . . . 72 W . . 72 W . 16426 1 39 . 1 1 48 48 THR N N 15 . 1 1 48 48 THR H H 1 0.781116049 0.039055802 . . . 73 T . . 73 T . 16426 1 40 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.805165333 0.040258267 . . . 74 E . . 74 E . 16426 1 41 . 1 1 50 50 THR N N 15 . 1 1 50 50 THR H H 1 0.824958303 0.041247915 . . . 75 T . . 75 T . 16426 1 42 . 1 1 51 51 HIS N N 15 . 1 1 51 51 HIS H H 1 0.799404331 0.039970217 . . . 76 H . . 76 H . 16426 1 43 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.756428826 0.037821441 . . . 77 V . . 77 V . 16426 1 44 . 1 1 53 53 ARG N N 15 . 1 1 53 53 ARG H H 1 0.780625473 0.039031274 . . . 78 R . . 78 R . 16426 1 45 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.784358218 0.039217911 . . . 79 D . . 79 D . 16426 1 46 . 1 1 55 55 TRP N N 15 . 1 1 55 55 TRP H H 1 0.763997667 0.038199883 . . . 80 W . . 80 W . 16426 1 47 . 1 1 56 56 VAL N N 15 . 1 1 56 56 VAL H H 1 0.780035049 0.039001752 . . . 81 V . . 81 V . 16426 1 48 . 1 1 57 57 MET N N 15 . 1 1 57 57 MET H H 1 0.761117174 0.038055859 . . . 82 M . . 82 M . 16426 1 49 . 1 1 58 58 TRP N N 15 . 1 1 58 58 TRP H H 1 0.811334266 0.040566713 . . . 83 W . . 83 W . 16426 1 50 . 1 1 59 59 ALA N N 15 . 1 1 59 59 ALA H H 1 0.774193906 0.038709695 . . . 84 A . . 84 A . 16426 1 51 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.800163554 0.040008178 . . . 85 V . . 85 V . 16426 1 52 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.783579289 0.039178964 . . . 86 N . . 86 N . 16426 1 53 . 1 1 62 62 GLU N N 15 . 1 1 62 62 GLU H H 1 0.729781477 0.036489074 . . . 87 E . . 87 E . 16426 1 54 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.760693889 0.038034694 . . . 88 F . . 88 F . 16426 1 55 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.772857723 0.038642886 . . . 89 S . . 89 S . 16426 1 56 . 1 1 65 65 LEU N N 15 . 1 1 65 65 LEU H H 1 0.752090631 0.037604532 . . . 90 L . . 90 L . 16426 1 57 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.659675523 0.032983776 . . . 91 K . . 91 K . 16426 1 58 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.764581377 0.038229069 . . . 92 G . . 92 G . 16426 1 59 . 1 1 68 68 VAL N N 15 . 1 1 68 68 VAL H H 1 0.830672849 0.041533642 . . . 93 V . . 93 V . 16426 1 60 . 1 1 69 69 ASP N N 15 . 1 1 69 69 ASP H H 1 0.734463125 0.036723156 . . . 94 D . . 94 D . 16426 1 61 . 1 1 70 70 PHE N N 15 . 1 1 70 70 PHE H H 1 0.77258391 0.038629196 . . . 95 F . . 95 F . 16426 1 62 . 1 1 71 71 GLN N N 15 . 1 1 71 71 GLN H H 1 0.744333764 0.037216688 . . . 96 Q . . 96 Q . 16426 1 63 . 1 1 72 72 LYS N N 15 . 1 1 72 72 LYS H H 1 0.763472824 0.038173641 . . . 97 K . . 97 K . 16426 1 64 . 1 1 73 73 PHE N N 15 . 1 1 73 73 PHE H H 1 0.763018475 0.038150924 . . . 98 F . . 98 F . 16426 1 65 . 1 1 74 74 CYS N N 15 . 1 1 74 74 CYS H H 1 0.710950403 0.03554752 . . . 99 C . . 99 C . 16426 1 66 . 1 1 75 75 MET N N 15 . 1 1 75 75 MET H H 1 0.74924891 0.037462445 . . . 100 M . . 100 M . 16426 1 67 . 1 1 76 76 SER N N 15 . 1 1 76 76 SER H H 1 0.759414797 0.03797074 . . . 101 S . . 101 S . 16426 1 68 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.796958943 0.039847947 . . . 102 G . . 102 G . 16426 1 69 . 1 1 78 78 ALA N N 15 . 1 1 78 78 ALA H H 1 0.825556371 0.041277819 . . . 103 A . . 103 A . 16426 1 70 . 1 1 79 79 ALA N N 15 . 1 1 79 79 ALA H H 1 0.786845818 0.039342291 . . . 104 A . . 104 A . 16426 1 71 . 1 1 80 80 LEU N N 15 . 1 1 80 80 LEU H H 1 0.783228558 0.039161428 . . . 105 L . . 105 L . 16426 1 72 . 1 1 81 81 CYS N N 15 . 1 1 81 81 CYS H H 1 0.772041409 0.03860207 . . . 106 C . . 106 C . 16426 1 73 . 1 1 82 82 ALA N N 15 . 1 1 82 82 ALA H H 1 0.777444053 0.038872203 . . . 107 A . . 107 A . 16426 1 74 . 1 1 83 83 LEU N N 15 . 1 1 83 83 LEU H H 1 0.769259943 0.038462997 . . . 108 L . . 108 L . 16426 1 75 . 1 1 84 84 GLY N N 15 . 1 1 84 84 GLY H H 1 0.754338727 0.037716936 . . . 109 G . . 109 G . 16426 1 76 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.763125267 0.038156263 . . . 110 K . . 110 K . 16426 1 77 . 1 1 86 86 GLU N N 15 . 1 1 86 86 GLU H H 1 0.782148268 0.039107413 . . . 111 E . . 111 E . 16426 1 78 . 1 1 87 87 CYS N N 15 . 1 1 87 87 CYS H H 1 0.758850018 0.037942501 . . . 112 C . . 112 C . 16426 1 79 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.754857575 0.037742879 . . . 113 F . . 113 F . 16426 1 80 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.740235724 0.037011786 . . . 114 L . . 114 L . 16426 1 81 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.745800755 0.037290038 . . . 115 E . . 115 E . 16426 1 82 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.780483325 0.039024166 . . . 116 L . . 116 L . 16426 1 83 . 1 1 92 92 ALA N N 15 . 1 1 92 92 ALA H H 1 0.759280356 0.037964018 . . . 117 A . . 117 A . 16426 1 84 . 1 1 94 94 ASP N N 15 . 1 1 94 94 ASP H H 1 0.699349673 0.034967484 . . . 119 D . . 119 D . 16426 1 85 . 1 1 95 95 PHE N N 15 . 1 1 95 95 PHE H H 1 0.643361546 0.032168077 . . . 120 F . . 120 F . 16426 1 86 . 1 1 96 96 VAL N N 15 . 1 1 96 96 VAL H H 1 0.657178555 0.032858928 . . . 121 V . . 121 V . 16426 1 87 . 1 1 97 97 GLY N N 15 . 1 1 97 97 GLY H H 1 0.748661545 0.037433077 . . . 122 G . . 122 G . 16426 1 88 . 1 1 98 98 ASP N N 15 . 1 1 98 98 ASP H H 1 0.792382314 0.039619116 . . . 123 D . . 123 D . 16426 1 89 . 1 1 99 99 ILE N N 15 . 1 1 99 99 ILE H H 1 0.750404163 0.037520208 . . . 124 I . . 124 I . 16426 1 90 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.764817288 0.038240864 . . . 125 L . . 125 L . 16426 1 91 . 1 1 101 101 TRP N N 15 . 1 1 101 101 TRP H H 1 0.785888481 0.039294424 . . . 126 W . . 126 W . 16426 1 92 . 1 1 102 102 GLU N N 15 . 1 1 102 102 GLU H H 1 0.757714647 0.037885732 . . . 127 E . . 127 E . 16426 1 93 . 1 1 103 103 HIS N N 15 . 1 1 103 103 HIS H H 1 0.8161778 0.04080889 . . . 128 H . . 128 H . 16426 1 94 . 1 1 104 104 LEU N N 15 . 1 1 104 104 LEU H H 1 0.828232608 0.04141163 . . . 129 L . . 129 L . 16426 1 95 . 1 1 105 105 GLU N N 15 . 1 1 105 105 GLU H H 1 0.78099526 0.039049763 . . . 130 E . . 130 E . 16426 1 96 . 1 1 106 106 ILE N N 15 . 1 1 106 106 ILE H H 1 0.759563737 0.037978187 . . . 131 I . . 131 I . 16426 1 97 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.648395918 0.032419796 . . . 132 L . . 132 L . 16426 1 98 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.744520261 0.037226013 . . . 133 Q . . 133 Q . 16426 1 99 . 1 1 109 109 LYS N N 15 . 1 1 109 109 LYS H H 1 0.739545216 0.036977261 . . . 134 K . . 134 K . 16426 1 100 . 1 1 110 110 GLU N N 15 . 1 1 110 110 GLU H H 1 0.420276462 0.021013823 . . . 135 E . . 135 E . 16426 1 101 . 1 1 111 111 ASP N N 15 . 1 1 111 111 ASP H H 1 0.137986352 0.006899318 . . . 136 D . . 136 D . 16426 1 102 . 1 1 112 112 VAL N N 15 . 1 1 112 112 VAL H H 1 -0.339011692 0.016950585 . . . 137 V . . 137 V . 16426 1 103 . 1 1 113 113 LYS N N 15 . 1 1 113 113 LYS H H 1 -0.475449963 0.023772498 . . . 138 K . . 138 K . 16426 1 stop_ save_