############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 53296 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'hetNOE u-15N' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 1000 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1.0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '1H-15N heteronoe' . . . 53296 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 $software_1 . . 53296 1 2 $software_2 . . 53296 1 3 $software_3 . . 53296 1 4 $software_4 . . 53296 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 HIS N N 15 . 1 1 3 3 HIS H H 1 0.161697816 0.007353522 . . . . . . . . . . 53296 1 2 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.410943446 0.008874103 . . . . . . . . . . 53296 1 3 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.457542211 0.008112289 . . . . . . . . . . 53296 1 4 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.424893664 0.007749578 . . . . . . . . . . 53296 1 5 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.487688676 0.008629719 . . . . . . . . . . 53296 1 6 . 1 1 11 11 GLY N N 15 . 1 1 11 11 GLY H H 1 0.542809116 0.01499445 . . . . . . . . . . 53296 1 7 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.565491095 0.009202438 . . . . . . . . . . 53296 1 8 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.583411438 0.009280829 . . . . . . . . . . 53296 1 9 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.497723667 0.010415489 . . . . . . . . . . 53296 1 10 . 1 1 20 20 ASP N N 15 . 1 1 20 20 ASP H H 1 0.482147054 0.009183411 . . . . . . . . . . 53296 1 11 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.566645182 0.011113407 . . . . . . . . . . 53296 1 12 . 1 1 22 22 ASN N N 15 . 1 1 22 22 ASN H H 1 0.465889997 0.008133546 . . . . . . . . . . 53296 1 13 . 1 1 23 23 SER N N 15 . 1 1 23 23 SER H H 1 0.547383343 0.009632465 . . . . . . . . . . 53296 1 14 . 1 1 24 24 SER N N 15 . 1 1 24 24 SER H H 1 0.514094845 0.007785718 . . . . . . . . . . 53296 1 15 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.542749333 0.012338655 . . . . . . . . . . 53296 1 16 . 1 1 26 26 ASN N N 15 . 1 1 26 26 ASN H H 1 0.501466896 0.008065281 . . . . . . . . . . 53296 1 17 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.500422055 0.009402099 . . . . . . . . . . 53296 1 18 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.490127079 0.008802144 . . . . . . . . . . 53296 1 19 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.555743158 0.014107746 . . . . . . . . . . 53296 1 20 . 1 1 31 31 SER N N 15 . 1 1 31 31 SER H H 1 0.423573074 0.006568896 . . . . . . . . . . 53296 1 21 . 1 1 33 33 ALA N N 15 . 1 1 33 33 ALA H H 1 0.550313916 0.008968013 . . . . . . . . . . 53296 1 22 . 1 1 34 34 SER N N 15 . 1 1 34 34 SER H H 1 0.493479259 0.008809185 . . . . . . . . . . 53296 1 23 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.458715612 0.010640558 . . . . . . . . . . 53296 1 24 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.599500454 0.016254446 . . . . . . . . . . 53296 1 25 . 1 1 38 38 TYR N N 15 . 1 1 38 38 TYR H H 1 0.556584915 0.011129289 . . . . . . . . . . 53296 1 26 . 1 1 39 39 ILE N N 15 . 1 1 39 39 ILE H H 1 0.61330146 0.012212665 . . . . . . . . . . 53296 1 27 . 1 1 42 42 HIS N N 15 . 1 1 42 42 HIS H H 1 0.573812547 0.029182441 . . . . . . . . . . 53296 1 28 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.641832358 0.016953066 . . . . . . . . . . 53296 1 29 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.566591656 0.011092499 . . . . . . . . . . 53296 1 30 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 0.520651947 0.011952883 . . . . . . . . . . 53296 1 31 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.61915382 0.034751992 . . . . . . . . . . 53296 1 32 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.592940606 0.014224584 . . . . . . . . . . 53296 1 33 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.561753037 0.013701094 . . . . . . . . . . 53296 1 34 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.552862218 0.016812388 . . . . . . . . . . 53296 1 35 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.734841537 0.02474623 . . . . . . . . . . 53296 1 36 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.584230798 0.012475965 . . . . . . . . . . 53296 1 37 . 1 1 58 58 SER N N 15 . 1 1 58 58 SER H H 1 0.516753831 0.00943135 . . . . . . . . . . 53296 1 38 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.585697081 0.012980129 . . . . . . . . . . 53296 1 39 . 1 1 61 61 SER N N 15 . 1 1 61 61 SER H H 1 0.66763771 0.011440694 . . . . . . . . . . 53296 1 40 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.590553792 0.012485842 . . . . . . . . . . 53296 1 41 . 1 1 63 63 SER N N 15 . 1 1 63 63 SER H H 1 0.630306791 0.012854305 . . . . . . . . . . 53296 1 42 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.700130855 0.01471068 . . . . . . . . . . 53296 1 43 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.644010192 0.017054522 . . . . . . . . . . 53296 1 44 . 1 1 68 68 ALA N N 15 . 1 1 68 68 ALA H H 1 0.602020487 0.010070907 . . . . . . . . . . 53296 1 45 . 1 1 69 69 TYR N N 15 . 1 1 69 69 TYR H H 1 0.695490742 0.011233643 . . . . . . . . . . 53296 1 46 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.712428877 0.013917227 . . . . . . . . . . 53296 1 47 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.655803781 0.011879062 . . . . . . . . . . 53296 1 48 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.640663321 0.013378922 . . . . . . . . . . 53296 1 49 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.696857346 0.018796249 . . . . . . . . . . 53296 1 50 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.557533029 0.013641317 . . . . . . . . . . 53296 1 51 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.544269134 0.016251765 . . . . . . . . . . 53296 1 52 . 1 1 83 83 SER N N 15 . 1 1 83 83 SER H H 1 0.622563378 0.012281334 . . . . . . . . . . 53296 1 53 . 1 1 85 85 PHE N N 15 . 1 1 85 85 PHE H H 1 0.718963006 0.027816759 . . . . . . . . . . 53296 1 54 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.628740048 0.011894539 . . . . . . . . . . 53296 1 55 . 1 1 88 88 ARG N N 15 . 1 1 88 88 ARG H H 1 0.594468365 0.012559769 . . . . . . . . . . 53296 1 56 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.566707217 0.010502986 . . . . . . . . . . 53296 1 57 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.557877674 0.008650827 . . . . . . . . . . 53296 1 58 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.564545313 0.013601761 . . . . . . . . . . 53296 1 59 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.744339163 0.019953567 . . . . . . . . . . 53296 1 60 . 1 1 96 96 PHE N N 15 . 1 1 96 96 PHE H H 1 0.555838014 0.013041448 . . . . . . . . . . 53296 1 61 . 1 1 97 97 ASP N N 15 . 1 1 97 97 ASP H H 1 0.67418523 0.023458901 . . . . . . . . . . 53296 1 62 . 1 1 98 98 ASP N N 15 . 1 1 98 98 ASP H H 1 0.662560065 0.013388387 . . . . . . . . . . 53296 1 63 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.579579251 0.011849586 . . . . . . . . . . 53296 1 64 . 1 1 101 101 ARG N N 15 . 1 1 101 101 ARG H H 1 0.63677881 0.016023764 . . . . . . . . . . 53296 1 65 . 1 1 102 102 SER N N 15 . 1 1 102 102 SER H H 1 0.588836053 0.010409061 . . . . . . . . . . 53296 1 66 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.590189223 0.011462622 . . . . . . . . . . 53296 1 67 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.628784788 0.016107577 . . . . . . . . . . 53296 1 68 . 1 1 108 108 GLY N N 15 . 1 1 108 108 GLY H H 1 0.668623619 0.011421371 . . . . . . . . . . 53296 1 69 . 1 1 109 109 SER N N 15 . 1 1 109 109 SER H H 1 0.609711207 0.016389527 . . . . . . . . . . 53296 1 70 . 1 1 113 113 ARG N N 15 . 1 1 113 113 ARG H H 1 0.529220419 0.01082208 . . . . . . . . . . 53296 1 71 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.557329736 0.011216758 . . . . . . . . . . 53296 1 72 . 1 1 116 116 PHE N N 15 . 1 1 116 116 PHE H H 1 0.665894185 0.013128346 . . . . . . . . . . 53296 1 73 . 1 1 117 117 GLY N N 15 . 1 1 117 117 GLY H H 1 0.534338849 0.012004547 . . . . . . . . . . 53296 1 74 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.628101477 0.016819217 . . . . . . . . . . 53296 1 75 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.650466165 0.029539057 . . . . . . . . . . 53296 1 76 . 1 1 121 121 ARG N N 15 . 1 1 121 121 ARG H H 1 0.512249181 0.018471166 . . . . . . . . . . 53296 1 77 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.59092033 0.011626227 . . . . . . . . . . 53296 1 78 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.621584095 0.019807749 . . . . . . . . . . 53296 1 79 . 1 1 124 124 ASN N N 15 . 1 1 124 124 ASN H H 1 0.605621564 0.01066383 . . . . . . . . . . 53296 1 80 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.521031744 0.013244457 . . . . . . . . . . 53296 1 81 . 1 1 128 128 CYS N N 15 . 1 1 128 128 CYS H H 1 0.552648017 0.009858671 . . . . . . . . . . 53296 1 82 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.610242826 0.013613139 . . . . . . . . . . 53296 1 83 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.319590274 0.007267795 . . . . . . . . . . 53296 1 84 . 1 1 132 132 ASP N N 15 . 1 1 132 132 ASP H H 1 0.258112059 0.009713645 . . . . . . . . . . 53296 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 53296 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name 'hetNOE u-2H,15N 100 uM' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 1000 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1.0 _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 10 '1H-15N heteronoe' . . . 53296 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 $software_1 . . 53296 2 2 $software_2 . . 53296 2 3 $software_3 . . 53296 2 4 $software_4 . . 53296 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 HIS N N 15 . 1 1 3 3 HIS H H 1 0.139809973 0.011817934 . . . . . . . . . . 53296 2 2 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.419417399 0.013258378 . . . . . . . . . . 53296 2 3 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.471410101 0.012467726 . . . . . . . . . . 53296 2 4 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.459181143 0.01343548 . . . . . . . . . . 53296 2 5 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.487199385 0.018035711 . . . . . . . . . . 53296 2 6 . 1 1 11 11 GLY N N 15 . 1 1 11 11 GLY H H 1 0.56165227 0.014365637 . . . . . . . . . . 53296 2 7 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.517988658 0.024420995 . . . . . . . . . . 53296 2 8 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.491784171 0.013345819 . . . . . . . . . . 53296 2 9 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.670230033 0.013804103 . . . . . . . . . . 53296 2 10 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.44418272 0.013237408 . . . . . . . . . . 53296 2 11 . 1 1 20 20 ASP N N 15 . 1 1 20 20 ASP H H 1 0.533436386 0.015511653 . . . . . . . . . . 53296 2 12 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.505801267 0.014411951 . . . . . . . . . . 53296 2 13 . 1 1 22 22 ASN N N 15 . 1 1 22 22 ASN H H 1 0.537150164 0.013660232 . . . . . . . . . . 53296 2 14 . 1 1 23 23 SER N N 15 . 1 1 23 23 SER H H 1 0.591153284 0.018163373 . . . . . . . . . . 53296 2 15 . 1 1 24 24 SER N N 15 . 1 1 24 24 SER H H 1 0.557098836 0.014529953 . . . . . . . . . . 53296 2 16 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.60614087 0.015139504 . . . . . . . . . . 53296 2 17 . 1 1 26 26 ASN N N 15 . 1 1 26 26 ASN H H 1 0.564327642 0.013771599 . . . . . . . . . . 53296 2 18 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.486580595 0.014428556 . . . . . . . . . . 53296 2 19 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.396553707 0.011582632 . . . . . . . . . . 53296 2 20 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.495034456 0.014490807 . . . . . . . . . . 53296 2 21 . 1 1 31 31 SER N N 15 . 1 1 31 31 SER H H 1 0.409798974 0.013359814 . . . . . . . . . . 53296 2 22 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.547322863 0.01736585 . . . . . . . . . . 53296 2 23 . 1 1 33 33 ALA N N 15 . 1 1 33 33 ALA H H 1 0.577762559 0.014811665 . . . . . . . . . . 53296 2 24 . 1 1 34 34 SER N N 15 . 1 1 34 34 SER H H 1 0.544043609 0.012251006 . . . . . . . . . . 53296 2 25 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.492126071 0.016070651 . . . . . . . . . . 53296 2 26 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 0.445209112 0.014957445 . . . . . . . . . . 53296 2 27 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.604267344 0.019752702 . . . . . . . . . . 53296 2 28 . 1 1 38 38 TYR N N 15 . 1 1 38 38 TYR H H 1 0.607603203 0.011971819 . . . . . . . . . . 53296 2 29 . 1 1 39 39 ILE N N 15 . 1 1 39 39 ILE H H 1 0.610599247 0.013087671 . . . . . . . . . . 53296 2 30 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.59829577 0.021707259 . . . . . . . . . . 53296 2 31 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.571146867 0.014281394 . . . . . . . . . . 53296 2 32 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 0.590486289 0.020198317 . . . . . . . . . . 53296 2 33 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.672689449 0.018792699 . . . . . . . . . . 53296 2 34 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.564325508 0.014004008 . . . . . . . . . . 53296 2 35 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.577377404 0.017027645 . . . . . . . . . . 53296 2 36 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.63580146 0.018377355 . . . . . . . . . . 53296 2 37 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.624261895 0.019175512 . . . . . . . . . . 53296 2 38 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.657601638 0.016232798 . . . . . . . . . . 53296 2 39 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.647665073 0.01975106 . . . . . . . . . . 53296 2 40 . 1 1 58 58 SER N N 15 . 1 1 58 58 SER H H 1 0.573228608 0.015209603 . . . . . . . . . . 53296 2 41 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.631458133 0.01670884 . . . . . . . . . . 53296 2 42 . 1 1 61 61 SER N N 15 . 1 1 61 61 SER H H 1 0.721997425 0.017716799 . . . . . . . . . . 53296 2 43 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.690791535 0.019439003 . . . . . . . . . . 53296 2 44 . 1 1 63 63 SER N N 15 . 1 1 63 63 SER H H 1 0.680837531 0.019106972 . . . . . . . . . . 53296 2 45 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.655581717 0.016431743 . . . . . . . . . . 53296 2 46 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.690908187 0.033607086 . . . . . . . . . . 53296 2 47 . 1 1 68 68 ALA N N 15 . 1 1 68 68 ALA H H 1 0.575523174 0.015134234 . . . . . . . . . . 53296 2 48 . 1 1 69 69 TYR N N 15 . 1 1 69 69 TYR H H 1 0.812222846 0.018579086 . . . . . . . . . . 53296 2 49 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.655039043 0.01581805 . . . . . . . . . . 53296 2 50 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.669815801 0.018122719 . . . . . . . . . . 53296 2 51 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.607014273 0.015018489 . . . . . . . . . . 53296 2 52 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.605259258 0.017362173 . . . . . . . . . . 53296 2 53 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.547060035 0.015415661 . . . . . . . . . . 53296 2 54 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.476469393 0.014187272 . . . . . . . . . . 53296 2 55 . 1 1 83 83 SER N N 15 . 1 1 83 83 SER H H 1 0.650816976 0.018525409 . . . . . . . . . . 53296 2 56 . 1 1 85 85 PHE N N 15 . 1 1 85 85 PHE H H 1 0.673198035 0.021401172 . . . . . . . . . . 53296 2 57 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.654274902 0.014292926 . . . . . . . . . . 53296 2 58 . 1 1 88 88 ARG N N 15 . 1 1 88 88 ARG H H 1 0.686316255 0.015278765 . . . . . . . . . . 53296 2 59 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.572504648 0.013812257 . . . . . . . . . . 53296 2 60 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.564342696 0.020428362 . . . . . . . . . . 53296 2 61 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.516472662 0.010450059 . . . . . . . . . . 53296 2 62 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.638607834 0.018309494 . . . . . . . . . . 53296 2 63 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.62679809 0.017698244 . . . . . . . . . . 53296 2 64 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.713005696 0.021051001 . . . . . . . . . . 53296 2 65 . 1 1 96 96 PHE N N 15 . 1 1 96 96 PHE H H 1 0.652201197 0.019301284 . . . . . . . . . . 53296 2 66 . 1 1 97 97 ASP N N 15 . 1 1 97 97 ASP H H 1 0.696115224 0.034053665 . . . . . . . . . . 53296 2 67 . 1 1 98 98 ASP N N 15 . 1 1 98 98 ASP H H 1 0.672017136 0.015570772 . . . . . . . . . . 53296 2 68 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.567804003 0.015094274 . . . . . . . . . . 53296 2 69 . 1 1 101 101 ARG N N 15 . 1 1 101 101 ARG H H 1 0.649056978 0.020936782 . . . . . . . . . . 53296 2 70 . 1 1 102 102 SER N N 15 . 1 1 102 102 SER H H 1 0.638618818 0.014267079 . . . . . . . . . . 53296 2 71 . 1 1 104 104 TYR N N 15 . 1 1 104 104 TYR H H 1 0.631666534 0.026061449 . . . . . . . . . . 53296 2 72 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.654432429 0.020141712 . . . . . . . . . . 53296 2 73 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.659762266 0.022574071 . . . . . . . . . . 53296 2 74 . 1 1 108 108 GLY N N 15 . 1 1 108 108 GLY H H 1 0.592021477 0.0141121 . . . . . . . . . . 53296 2 75 . 1 1 109 109 SER N N 15 . 1 1 109 109 SER H H 1 0.621373579 0.016974844 . . . . . . . . . . 53296 2 76 . 1 1 113 113 ARG N N 15 . 1 1 113 113 ARG H H 1 0.568964968 0.017963882 . . . . . . . . . . 53296 2 77 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.650684579 0.0164308 . . . . . . . . . . 53296 2 78 . 1 1 116 116 PHE N N 15 . 1 1 116 116 PHE H H 1 0.662045086 0.017773941 . . . . . . . . . . 53296 2 79 . 1 1 117 117 GLY N N 15 . 1 1 117 117 GLY H H 1 0.562988809 0.014328396 . . . . . . . . . . 53296 2 80 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.719699477 0.023129913 . . . . . . . . . . 53296 2 81 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.646746253 0.02296086 . . . . . . . . . . 53296 2 82 . 1 1 121 121 ARG N N 15 . 1 1 121 121 ARG H H 1 0.540059312 0.015095288 . . . . . . . . . . 53296 2 83 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.549761311 0.014322122 . . . . . . . . . . 53296 2 84 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.604176581 0.017877826 . . . . . . . . . . 53296 2 85 . 1 1 124 124 ASN N N 15 . 1 1 124 124 ASN H H 1 0.56650552 0.015714911 . . . . . . . . . . 53296 2 86 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.615761498 0.016624758 . . . . . . . . . . 53296 2 87 . 1 1 128 128 CYS N N 15 . 1 1 128 128 CYS H H 1 0.596312241 0.014004833 . . . . . . . . . . 53296 2 88 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.72329178 0.018264229 . . . . . . . . . . 53296 2 89 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.327701999 0.012369708 . . . . . . . . . . 53296 2 90 . 1 1 132 132 ASP N N 15 . 1 1 132 132 ASP H H 1 0.208860544 0.009338528 . . . . . . . . . . 53296 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_3 _Heteronucl_NOE_list.Entry_ID 53296 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Name 'hetNOE u-2H,15N 300 uM' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 1000 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1.0 _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 17 '1H-15N heteronoe' . . . 53296 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 $software_1 . . 53296 3 2 $software_2 . . 53296 3 3 $software_3 . . 53296 3 4 $software_4 . . 53296 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 3 3 HIS N N 15 . 1 1 3 3 HIS H H 1 0.163732601 0.005709276 . . . . . . . . . . 53296 3 2 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.374505516 0.005904513 . . . . . . . . . . 53296 3 3 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.461950618 0.006036004 . . . . . . . . . . 53296 3 4 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.463299374 0.008779546 . . . . . . . . . . 53296 3 5 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.51519282 0.014709635 . . . . . . . . . . 53296 3 6 . 1 1 11 11 GLY N N 15 . 1 1 11 11 GLY H H 1 0.569160165 0.014249476 . . . . . . . . . . 53296 3 7 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.630306887 0.028953043 . . . . . . . . . . 53296 3 8 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.509324923 0.009199649 . . . . . . . . . . 53296 3 9 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.612780907 0.008046701 . . . . . . . . . . 53296 3 10 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.489253402 0.006562924 . . . . . . . . . . 53296 3 11 . 1 1 20 20 ASP N N 15 . 1 1 20 20 ASP H H 1 0.519170913 0.010198651 . . . . . . . . . . 53296 3 12 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.528095894 0.008594704 . . . . . . . . . . 53296 3 13 . 1 1 22 22 ASN N N 15 . 1 1 22 22 ASN H H 1 0.522462525 0.010196164 . . . . . . . . . . 53296 3 14 . 1 1 23 23 SER N N 15 . 1 1 23 23 SER H H 1 0.588815306 0.013859882 . . . . . . . . . . 53296 3 15 . 1 1 24 24 SER N N 15 . 1 1 24 24 SER H H 1 0.479294246 0.00896969 . . . . . . . . . . 53296 3 16 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.566213356 0.01259277 . . . . . . . . . . 53296 3 17 . 1 1 26 26 ASN N N 15 . 1 1 26 26 ASN H H 1 0.560598736 0.011257454 . . . . . . . . . . 53296 3 18 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.495697501 0.009550403 . . . . . . . . . . 53296 3 19 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.447599982 0.007252067 . . . . . . . . . . 53296 3 20 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.550864699 0.013828202 . . . . . . . . . . 53296 3 21 . 1 1 31 31 SER N N 15 . 1 1 31 31 SER H H 1 0.441347481 0.00870837 . . . . . . . . . . 53296 3 22 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.47029173 0.013189301 . . . . . . . . . . 53296 3 23 . 1 1 33 33 ALA N N 15 . 1 1 33 33 ALA H H 1 0.585363681 0.008151858 . . . . . . . . . . 53296 3 24 . 1 1 34 34 SER N N 15 . 1 1 34 34 SER H H 1 0.511971815 0.008151307 . . . . . . . . . . 53296 3 25 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.52476548 0.009101621 . . . . . . . . . . 53296 3 26 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 0.516059149 0.013962141 . . . . . . . . . . 53296 3 27 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.6726358 0.018262059 . . . . . . . . . . 53296 3 28 . 1 1 38 38 TYR N N 15 . 1 1 38 38 TYR H H 1 0.559772055 0.007319779 . . . . . . . . . . 53296 3 29 . 1 1 39 39 ILE N N 15 . 1 1 39 39 ILE H H 1 0.643960691 0.006635852 . . . . . . . . . . 53296 3 30 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.650294874 0.010772524 . . . . . . . . . . 53296 3 31 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.529776378 0.010389685 . . . . . . . . . . 53296 3 32 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 0.555874895 0.012480788 . . . . . . . . . . 53296 3 33 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.605325852 0.010378351 . . . . . . . . . . 53296 3 34 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.589896706 0.010064161 . . . . . . . . . . 53296 3 35 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.547990035 0.010195113 . . . . . . . . . . 53296 3 36 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.560416021 0.015118115 . . . . . . . . . . 53296 3 37 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.692508498 0.018240453 . . . . . . . . . . 53296 3 38 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.706653583 0.010199648 . . . . . . . . . . 53296 3 39 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.636147339 0.0161573 . . . . . . . . . . 53296 3 40 . 1 1 58 58 SER N N 15 . 1 1 58 58 SER H H 1 0.588804215 0.013078106 . . . . . . . . . . 53296 3 41 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.614882365 0.01108472 . . . . . . . . . . 53296 3 42 . 1 1 61 61 SER N N 15 . 1 1 61 61 SER H H 1 0.629162973 0.00973125 . . . . . . . . . . 53296 3 43 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.661343944 0.015072162 . . . . . . . . . . 53296 3 44 . 1 1 63 63 SER N N 15 . 1 1 63 63 SER H H 1 0.622000495 0.013777846 . . . . . . . . . . 53296 3 45 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.689691274 0.014269617 . . . . . . . . . . 53296 3 46 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.683374344 0.037039608 . . . . . . . . . . 53296 3 47 . 1 1 68 68 ALA N N 15 . 1 1 68 68 ALA H H 1 0.712833148 0.009174928 . . . . . . . . . . 53296 3 48 . 1 1 69 69 TYR N N 15 . 1 1 69 69 TYR H H 1 0.693284915 0.010901946 . . . . . . . . . . 53296 3 49 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.613408244 0.007636143 . . . . . . . . . . 53296 3 50 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.632258685 0.013464014 . . . . . . . . . . 53296 3 51 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.601219141 0.010335024 . . . . . . . . . . 53296 3 52 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.703728725 0.014967497 . . . . . . . . . . 53296 3 53 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.631537996 0.011099188 . . . . . . . . . . 53296 3 54 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.529067246 0.01453555 . . . . . . . . . . 53296 3 55 . 1 1 83 83 SER N N 15 . 1 1 83 83 SER H H 1 0.582350908 0.01150141 . . . . . . . . . . 53296 3 56 . 1 1 85 85 PHE N N 15 . 1 1 85 85 PHE H H 1 0.671904205 0.01950293 . . . . . . . . . . 53296 3 57 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.672346331 0.011837325 . . . . . . . . . . 53296 3 58 . 1 1 88 88 ARG N N 15 . 1 1 88 88 ARG H H 1 0.639144966 0.010681712 . . . . . . . . . . 53296 3 59 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.558404058 0.009964179 . . . . . . . . . . 53296 3 60 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.556622107 0.009252717 . . . . . . . . . . 53296 3 61 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.558975267 0.007092662 . . . . . . . . . . 53296 3 62 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.681352063 0.014805541 . . . . . . . . . . 53296 3 63 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.555157583 0.015110818 . . . . . . . . . . 53296 3 64 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.737959322 0.018474433 . . . . . . . . . . 53296 3 65 . 1 1 96 96 PHE N N 15 . 1 1 96 96 PHE H H 1 0.649696229 0.013432069 . . . . . . . . . . 53296 3 66 . 1 1 97 97 ASP N N 15 . 1 1 97 97 ASP H H 1 0.690759695 0.039994059 . . . . . . . . . . 53296 3 67 . 1 1 98 98 ASP N N 15 . 1 1 98 98 ASP H H 1 0.690863721 0.012064969 . . . . . . . . . . 53296 3 68 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.622823067 0.011681289 . . . . . . . . . . 53296 3 69 . 1 1 101 101 ARG N N 15 . 1 1 101 101 ARG H H 1 0.722658439 0.020042 . . . . . . . . . . 53296 3 70 . 1 1 102 102 SER N N 15 . 1 1 102 102 SER H H 1 0.563287279 0.007422981 . . . . . . . . . . 53296 3 71 . 1 1 104 104 TYR N N 15 . 1 1 104 104 TYR H H 1 0.643927723 0.019198899 . . . . . . . . . . 53296 3 72 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.663564677 0.011348173 . . . . . . . . . . 53296 3 73 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.705516507 0.019147695 . . . . . . . . . . 53296 3 74 . 1 1 108 108 GLY N N 15 . 1 1 108 108 GLY H H 1 0.636361106 0.011171392 . . . . . . . . . . 53296 3 75 . 1 1 109 109 SER N N 15 . 1 1 109 109 SER H H 1 0.660392723 0.015870316 . . . . . . . . . . 53296 3 76 . 1 1 113 113 ARG N N 15 . 1 1 113 113 ARG H H 1 0.55384252 0.012311784 . . . . . . . . . . 53296 3 77 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.587549306 0.009748669 . . . . . . . . . . 53296 3 78 . 1 1 116 116 PHE N N 15 . 1 1 116 116 PHE H H 1 0.736268831 0.017111694 . . . . . . . . . . 53296 3 79 . 1 1 117 117 GLY N N 15 . 1 1 117 117 GLY H H 1 0.56881174 0.009489537 . . . . . . . . . . 53296 3 80 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.736678842 0.019453862 . . . . . . . . . . 53296 3 81 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.663221002 0.019315807 . . . . . . . . . . 53296 3 82 . 1 1 121 121 ARG N N 15 . 1 1 121 121 ARG H H 1 0.55981867 0.012485412 . . . . . . . . . . 53296 3 83 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.538532537 0.007167019 . . . . . . . . . . 53296 3 84 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.674611567 0.01950772 . . . . . . . . . . 53296 3 85 . 1 1 124 124 ASN N N 15 . 1 1 124 124 ASN H H 1 0.569329415 0.010194112 . . . . . . . . . . 53296 3 86 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.556120821 0.010536433 . . . . . . . . . . 53296 3 87 . 1 1 128 128 CYS N N 15 . 1 1 128 128 CYS H H 1 0.602815749 0.006884707 . . . . . . . . . . 53296 3 88 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.647019377 0.013720737 . . . . . . . . . . 53296 3 89 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.366235112 0.008447142 . . . . . . . . . . 53296 3 90 . 1 1 132 132 ASP N N 15 . 1 1 132 132 ASP H H 1 0.20867292 0.004710883 . . . . . . . . . . 53296 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_4 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_4 _Heteronucl_NOE_list.Entry_ID 53296 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Name 'hetNOE u-2H,15N 500 uM' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 1000 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 1.0 _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 24 '1H-15N heteronoe' . . . 53296 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 $software_1 . . 53296 4 2 $software_2 . . 53296 4 3 $software_3 . . 53296 4 4 $software_4 . . 53296 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 3 3 HIS N N 15 . 1 1 3 3 HIS H H 1 0.20958855 0.005076386 . . . . . . . . . . 53296 4 2 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 0.396195781 0.005448318 . . . . . . . . . . 53296 4 3 . 1 1 7 7 GLU N N 15 . 1 1 7 7 GLU H H 1 0.466137838 0.005557589 . . . . . . . . . . 53296 4 4 . 1 1 8 8 ASN N N 15 . 1 1 8 8 ASN H H 1 0.484149503 0.0084949 . . . . . . . . . . 53296 4 5 . 1 1 9 9 ALA N N 15 . 1 1 9 9 ALA H H 1 0.528647606 0.013837154 . . . . . . . . . . 53296 4 6 . 1 1 11 11 GLY N N 15 . 1 1 11 11 GLY H H 1 0.552462466 0.011141946 . . . . . . . . . . 53296 4 7 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.6598053 0.031526713 . . . . . . . . . . 53296 4 8 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.533425001 0.009049706 . . . . . . . . . . 53296 4 9 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.600375295 0.007713327 . . . . . . . . . . 53296 4 10 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.532802817 0.008628517 . . . . . . . . . . 53296 4 11 . 1 1 20 20 ASP N N 15 . 1 1 20 20 ASP H H 1 0.526211361 0.009058376 . . . . . . . . . . 53296 4 12 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.568161773 0.010471171 . . . . . . . . . . 53296 4 13 . 1 1 22 22 ASN N N 15 . 1 1 22 22 ASN H H 1 0.514391386 0.00846829 . . . . . . . . . . 53296 4 14 . 1 1 23 23 SER N N 15 . 1 1 23 23 SER H H 1 0.556365589 0.010937365 . . . . . . . . . . 53296 4 15 . 1 1 24 24 SER N N 15 . 1 1 24 24 SER H H 1 0.511697206 0.008725064 . . . . . . . . . . 53296 4 16 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.588777365 0.011214274 . . . . . . . . . . 53296 4 17 . 1 1 26 26 ASN N N 15 . 1 1 26 26 ASN H H 1 0.532442528 0.009373635 . . . . . . . . . . 53296 4 18 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.508069115 0.009245853 . . . . . . . . . . 53296 4 19 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.449189064 0.007002933 . . . . . . . . . . 53296 4 20 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 0.52491064 0.010709912 . . . . . . . . . . 53296 4 21 . 1 1 31 31 SER N N 15 . 1 1 31 31 SER H H 1 0.430823396 0.006905082 . . . . . . . . . . 53296 4 22 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.477119316 0.008187899 . . . . . . . . . . 53296 4 23 . 1 1 33 33 ALA N N 15 . 1 1 33 33 ALA H H 1 0.531266581 0.007906852 . . . . . . . . . . 53296 4 24 . 1 1 34 34 SER N N 15 . 1 1 34 34 SER H H 1 0.523503288 0.007726546 . . . . . . . . . . 53296 4 25 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.490009956 0.009676685 . . . . . . . . . . 53296 4 26 . 1 1 36 36 GLY N N 15 . 1 1 36 36 GLY H H 1 0.517318649 0.011336655 . . . . . . . . . . 53296 4 27 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.628206349 0.015911819 . . . . . . . . . . 53296 4 28 . 1 1 38 38 TYR N N 15 . 1 1 38 38 TYR H H 1 0.583578286 0.009096635 . . . . . . . . . . 53296 4 29 . 1 1 39 39 ILE N N 15 . 1 1 39 39 ILE H H 1 0.603792276 0.007226117 . . . . . . . . . . 53296 4 30 . 1 1 43 43 LEU N N 15 . 1 1 43 43 LEU H H 1 0.667546151 0.010936807 . . . . . . . . . . 53296 4 31 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.568656465 0.009973607 . . . . . . . . . . 53296 4 32 . 1 1 47 47 GLU N N 15 . 1 1 47 47 GLU H H 1 0.601588044 0.012167527 . . . . . . . . . . 53296 4 33 . 1 1 48 48 ALA N N 15 . 1 1 48 48 ALA H H 1 0.61249048 0.012511892 . . . . . . . . . . 53296 4 34 . 1 1 49 49 THR N N 15 . 1 1 49 49 THR H H 1 0.580839008 0.00761346 . . . . . . . . . . 53296 4 35 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.594331547 0.012462991 . . . . . . . . . . 53296 4 36 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.526368825 0.011777282 . . . . . . . . . . 53296 4 37 . 1 1 52 52 PHE N N 15 . 1 1 52 52 PHE H H 1 0.639511951 0.015605821 . . . . . . . . . . 53296 4 38 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.697564036 0.011125925 . . . . . . . . . . 53296 4 39 . 1 1 57 57 SER N N 15 . 1 1 57 57 SER H H 1 0.618819224 0.013723615 . . . . . . . . . . 53296 4 40 . 1 1 58 58 SER N N 15 . 1 1 58 58 SER H H 1 0.560141811 0.011460585 . . . . . . . . . . 53296 4 41 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.635896294 0.010009556 . . . . . . . . . . 53296 4 42 . 1 1 61 61 SER N N 15 . 1 1 61 61 SER H H 1 0.653064835 0.012248956 . . . . . . . . . . 53296 4 43 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.645037304 0.011589936 . . . . . . . . . . 53296 4 44 . 1 1 63 63 SER N N 15 . 1 1 63 63 SER H H 1 0.627772524 0.010745478 . . . . . . . . . . 53296 4 45 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.661499305 0.014593935 . . . . . . . . . . 53296 4 46 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.655836436 0.03821595 . . . . . . . . . . 53296 4 47 . 1 1 68 68 ALA N N 15 . 1 1 68 68 ALA H H 1 0.66888677 0.009942481 . . . . . . . . . . 53296 4 48 . 1 1 69 69 TYR N N 15 . 1 1 69 69 TYR H H 1 0.734248431 0.010945934 . . . . . . . . . . 53296 4 49 . 1 1 70 70 SER N N 15 . 1 1 70 70 SER H H 1 0.643340037 0.00905939 . . . . . . . . . . 53296 4 50 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.680543749 0.010898229 . . . . . . . . . . 53296 4 51 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.59326079 0.008793106 . . . . . . . . . . 53296 4 52 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.687925609 0.012860585 . . . . . . . . . . 53296 4 53 . 1 1 78 78 SER N N 15 . 1 1 78 78 SER H H 1 0.586358127 0.012218745 . . . . . . . . . . 53296 4 54 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.512439624 0.01196603 . . . . . . . . . . 53296 4 55 . 1 1 83 83 SER N N 15 . 1 1 83 83 SER H H 1 0.585190521 0.009368493 . . . . . . . . . . 53296 4 56 . 1 1 85 85 PHE N N 15 . 1 1 85 85 PHE H H 1 0.696250418 0.019704807 . . . . . . . . . . 53296 4 57 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.655575718 0.008410962 . . . . . . . . . . 53296 4 58 . 1 1 88 88 ARG N N 15 . 1 1 88 88 ARG H H 1 0.627606422 0.011136345 . . . . . . . . . . 53296 4 59 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.562749731 0.0099479 . . . . . . . . . . 53296 4 60 . 1 1 90 90 SER N N 15 . 1 1 90 90 SER H H 1 0.631615246 0.022011649 . . . . . . . . . . 53296 4 61 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.516802067 0.005562777 . . . . . . . . . . 53296 4 62 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.652011908 0.013207687 . . . . . . . . . . 53296 4 63 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.541895345 0.011648994 . . . . . . . . . . 53296 4 64 . 1 1 95 95 ARG N N 15 . 1 1 95 95 ARG H H 1 0.689286347 0.016550426 . . . . . . . . . . 53296 4 65 . 1 1 96 96 PHE N N 15 . 1 1 96 96 PHE H H 1 0.631289202 0.012765971 . . . . . . . . . . 53296 4 66 . 1 1 97 97 ASP N N 15 . 1 1 97 97 ASP H H 1 0.660432802 0.041457217 . . . . . . . . . . 53296 4 67 . 1 1 98 98 ASP N N 15 . 1 1 98 98 ASP H H 1 0.730820393 0.012624538 . . . . . . . . . . 53296 4 68 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.64760376 0.011788669 . . . . . . . . . . 53296 4 69 . 1 1 101 101 ARG N N 15 . 1 1 101 101 ARG H H 1 0.730245134 0.018670042 . . . . . . . . . . 53296 4 70 . 1 1 102 102 SER N N 15 . 1 1 102 102 SER H H 1 0.59756454 0.009538566 . . . . . . . . . . 53296 4 71 . 1 1 104 104 TYR N N 15 . 1 1 104 104 TYR H H 1 0.684423739 0.019187411 . . . . . . . . . . 53296 4 72 . 1 1 106 106 GLY N N 15 . 1 1 106 106 GLY H H 1 0.691390884 0.010735337 . . . . . . . . . . 53296 4 73 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.671769538 0.016839444 . . . . . . . . . . 53296 4 74 . 1 1 108 108 GLY N N 15 . 1 1 108 108 GLY H H 1 0.607807843 0.008937834 . . . . . . . . . . 53296 4 75 . 1 1 109 109 SER N N 15 . 1 1 109 109 SER H H 1 0.652238646 0.014395461 . . . . . . . . . . 53296 4 76 . 1 1 113 113 ARG N N 15 . 1 1 113 113 ARG H H 1 0.514772361 0.010612037 . . . . . . . . . . 53296 4 77 . 1 1 115 115 GLY N N 15 . 1 1 115 115 GLY H H 1 0.620704979 0.009290933 . . . . . . . . . . 53296 4 78 . 1 1 116 116 PHE N N 15 . 1 1 116 116 PHE H H 1 0.719941967 0.014526894 . . . . . . . . . . 53296 4 79 . 1 1 117 117 GLY N N 15 . 1 1 117 117 GLY H H 1 0.558614661 0.009167573 . . . . . . . . . . 53296 4 80 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.692037069 0.017596465 . . . . . . . . . . 53296 4 81 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.698352394 0.023060222 . . . . . . . . . . 53296 4 82 . 1 1 121 121 ARG N N 15 . 1 1 121 121 ARG H H 1 0.593467862 0.010775262 . . . . . . . . . . 53296 4 83 . 1 1 122 122 GLY N N 15 . 1 1 122 122 GLY H H 1 0.545303911 0.008497591 . . . . . . . . . . 53296 4 84 . 1 1 123 123 GLY N N 15 . 1 1 123 123 GLY H H 1 0.613256695 0.014053651 . . . . . . . . . . 53296 4 85 . 1 1 124 124 ASN N N 15 . 1 1 124 124 ASN H H 1 0.542593113 0.00819804 . . . . . . . . . . 53296 4 86 . 1 1 125 125 SER N N 15 . 1 1 125 125 SER H H 1 0.594599528 0.013097499 . . . . . . . . . . 53296 4 87 . 1 1 128 128 CYS N N 15 . 1 1 128 128 CYS H H 1 0.615438383 0.007442792 . . . . . . . . . . 53296 4 88 . 1 1 129 129 ASP N N 15 . 1 1 129 129 ASP H H 1 0.653768918 0.014696033 . . . . . . . . . . 53296 4 89 . 1 1 131 131 SER N N 15 . 1 1 131 131 SER H H 1 0.351189629 0.007668852 . . . . . . . . . . 53296 4 90 . 1 1 132 132 ASP N N 15 . 1 1 132 132 ASP H H 1 0.243471047 0.005992187 . . . . . . . . . . 53296 4 stop_ save_