############################## # Heteronuclear NOE values # ############################## save_NOE_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode NOE_list_1 _Heteronucl_NOE_list.Entry_ID 15437 _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 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 '2D 1H-15N HSQC' . . . 15437 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 2 2 TYR N N 15 . 1 1 2 2 TYR H H 1 0.128 0.326 . . . . . . . . . . 15437 1 2 . 1 1 3 3 GLY N N 15 . 1 1 3 3 GLY H H 1 0.664 0.146 . . . . . . . . . . 15437 1 3 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.815 0.124 . . . . . . . . . . 15437 1 4 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.644 0.093 . . . . . . . . . . 15437 1 5 . 1 1 6 6 ASN N N 15 . 1 1 6 6 ASN H H 1 0.608 0.081 . . . . . . . . . . 15437 1 6 . 1 1 7 7 ASP N N 15 . 1 1 7 7 ASP H H 1 0.822 0.103 . . . . . . . . . . 15437 1 7 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.815 0.136 . . . . . . . . . . 15437 1 8 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.876 0.127 . . . . . . . . . . 15437 1 9 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.925 0.138 . . . . . . . . . . 15437 1 10 . 1 1 11 11 ASP N N 15 . 1 1 11 11 ASP H H 1 0.823 0.109 . . . . . . . . . . 15437 1 11 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.885 0.130 . . . . . . . . . . 15437 1 12 . 1 1 13 13 GLN N N 15 . 1 1 13 13 GLN H H 1 0.865 0.191 . . . . . . . . . . 15437 1 13 . 1 1 14 14 GLU N N 15 . 1 1 14 14 GLU H H 1 0.783 0.133 . . . . . . . . . . 15437 1 14 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.925 0.096 . . . . . . . . . . 15437 1 15 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.859 0.132 . . . . . . . . . . 15437 1 16 . 1 1 17 17 LYS N N 15 . 1 1 17 17 LYS H H 1 0.786 0.226 . . . . . . . . . . 15437 1 17 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.715 0.175 . . . . . . . . . . 15437 1 18 . 1 1 20 20 ASN N N 15 . 1 1 20 20 ASN H H 1 0.777 0.313 . . . . . . . . . . 15437 1 19 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.581 0.122 . . . . . . . . . . 15437 1 20 . 1 1 22 22 HIS N N 15 . 1 1 22 22 HIS H H 1 0.621 0.226 . . . . . . . . . . 15437 1 21 . 1 1 23 23 TRP N N 15 . 1 1 23 23 TRP H H 1 0.646 0.140 . . . . . . . . . . 15437 1 22 . 1 1 24 24 GLN N N 15 . 1 1 24 24 GLN H H 1 0.391 0.258 . . . . . . . . . . 15437 1 23 . 1 1 26 26 GLY N N 15 . 1 1 26 26 GLY H H 1 0.519 0.129 . . . . . . . . . . 15437 1 24 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.765 0.254 . . . . . . . . . . 15437 1 25 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.906 0.122 . . . . . . . . . . 15437 1 26 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.369 0.078 . . . . . . . . . . 15437 1 27 . 1 1 30 30 MET N N 15 . 1 1 30 30 MET H H 1 0.574 0.328 . . . . . . . . . . 15437 1 28 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.663 0.165 . . . . . . . . . . 15437 1 29 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.660 0.204 . . . . . . . . . . 15437 1 30 . 1 1 33 33 VAL N N 15 . 1 1 33 33 VAL H H 1 0.821 0.182 . . . . . . . . . . 15437 1 31 . 1 1 34 34 ASP N N 15 . 1 1 34 34 ASP H H 1 0.874 0.284 . . . . . . . . . . 15437 1 32 . 1 1 35 35 HIS N N 15 . 1 1 35 35 HIS H H 1 0.775 0.482 . . . . . . . . . . 15437 1 33 . 1 1 36 36 HIS N N 15 . 1 1 36 36 HIS H H 1 0.931 0.048 . . . . . . . . . . 15437 1 34 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.965 0.171 . . . . . . . . . . 15437 1 35 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.783 0.196 . . . . . . . . . . 15437 1 36 . 1 1 39 39 ASN N N 15 . 1 1 39 39 ASN H H 1 0.794 0.136 . . . . . . . . . . 15437 1 37 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.739 0.078 . . . . . . . . . . 15437 1 38 . 1 1 41 41 ILE N N 15 . 1 1 41 41 ILE H H 1 0.905 0.143 . . . . . . . . . . 15437 1 39 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.832 0.105 . . . . . . . . . . 15437 1 40 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.948 0.105 . . . . . . . . . . 15437 1 41 . 1 1 44 44 ILE N N 15 . 1 1 44 44 ILE H H 1 0.848 0.174 . . . . . . . . . . 15437 1 42 . 1 1 45 45 HIS N N 15 . 1 1 45 45 HIS H H 1 0.720 0.124 . . . . . . . . . . 15437 1 43 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.702 0.101 . . . . . . . . . . 15437 1 44 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.864 0.166 . . . . . . . . . . 15437 1 45 . 1 1 48 48 MET N N 15 . 1 1 48 48 MET H H 1 0.834 0.192 . . . . . . . . . . 15437 1 46 . 1 1 49 49 GLN N N 15 . 1 1 49 49 GLN H H 1 0.929 0.138 . . . . . . . . . . 15437 1 47 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.728 0.123 . . . . . . . . . . 15437 1 48 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.791 0.103 . . . . . . . . . . 15437 1 49 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.602 0.074 . . . . . . . . . . 15437 1 50 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.493 0.214 . . . . . . . . . . 15437 1 51 . 1 1 54 54 GLY N N 15 . 1 1 54 54 GLY H H 1 0.595 0.193 . . . . . . . . . . 15437 1 52 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY H H 1 0.617 0.144 . . . . . . . . . . 15437 1 53 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.614 0.153 . . . . . . . . . . 15437 1 54 . 1 1 57 57 LEU N N 15 . 1 1 57 57 LEU H H 1 0.789 0.088 . . . . . . . . . . 15437 1 55 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.895 0.115 . . . . . . . . . . 15437 1 56 . 1 1 59 59 GLU N N 15 . 1 1 59 59 GLU H H 1 0.603 0.116 . . . . . . . . . . 15437 1 57 . 1 1 60 60 MET N N 15 . 1 1 60 60 MET H H 1 0.703 0.137 . . . . . . . . . . 15437 1 58 . 1 1 61 61 MET N N 15 . 1 1 61 61 MET H H 1 0.858 0.151 . . . . . . . . . . 15437 1 59 . 1 1 62 62 LYS N N 15 . 1 1 62 62 LYS H H 1 0.769 0.143 . . . . . . . . . . 15437 1 60 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.919 0.163 . . . . . . . . . . 15437 1 61 . 1 1 64 64 PHE N N 15 . 1 1 64 64 PHE H H 1 0.820 0.173 . . . . . . . . . . 15437 1 62 . 1 1 65 65 GLN N N 15 . 1 1 65 65 GLN H H 1 0.798 0.127 . . . . . . . . . . 15437 1 63 . 1 1 66 66 GLN N N 15 . 1 1 66 66 GLN H H 1 0.900 0.171 . . . . . . . . . . 15437 1 64 . 1 1 67 67 VAL N N 15 . 1 1 67 67 VAL H H 1 0.866 0.080 . . . . . . . . . . 15437 1 65 . 1 1 68 68 LEU N N 15 . 1 1 68 68 LEU H H 1 0.842 0.115 . . . . . . . . . . 15437 1 66 . 1 1 69 69 ASP N N 15 . 1 1 69 69 ASP H H 1 0.786 0.134 . . . . . . . . . . 15437 1 67 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.817 0.126 . . . . . . . . . . 15437 1 68 . 1 1 71 71 ILE N N 15 . 1 1 71 71 ILE H H 1 0.845 0.281 . . . . . . . . . . 15437 1 69 . 1 1 72 72 LYS N N 15 . 1 1 72 72 LYS H H 1 0.631 0.090 . . . . . . . . . . 15437 1 70 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.766 0.127 . . . . . . . . . . 15437 1 71 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.855 0.223 . . . . . . . . . . 15437 1 72 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.774 0.237 . . . . . . . . . . 15437 1 73 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.643 0.377 . . . . . . . . . . 15437 1 74 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.757 0.225 . . . . . . . . . . 15437 1 75 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.594 0.245 . . . . . . . . . . 15437 1 76 . 1 1 79 79 ASP N N 15 . 1 1 79 79 ASP H H 1 0.649 0.157 . . . . . . . . . . 15437 1 77 . 1 1 80 80 ASN N N 15 . 1 1 80 80 ASN H H 1 0.913 0.174 . . . . . . . . . . 15437 1 78 . 1 1 81 81 SER N N 15 . 1 1 81 81 SER H H 1 0.847 0.251 . . . . . . . . . . 15437 1 79 . 1 1 82 82 LEU N N 15 . 1 1 82 82 LEU H H 1 0.728 0.057 . . . . . . . . . . 15437 1 80 . 1 1 83 83 HIS N N 15 . 1 1 83 83 HIS H H 1 0.822 0.199 . . . . . . . . . . 15437 1 81 . 1 1 84 84 ASN N N 15 . 1 1 84 84 ASN H H 1 0.747 0.202 . . . . . . . . . . 15437 1 82 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.741 0.061 . . . . . . . . . . 15437 1 83 . 1 1 86 86 HIS N N 15 . 1 1 86 86 HIS H H 1 0.922 0.152 . . . . . . . . . . 15437 1 84 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.660 0.283 . . . . . . . . . . 15437 1 85 . 1 1 88 88 ASN N N 15 . 1 1 88 88 ASN H H 1 0.895 0.219 . . . . . . . . . . 15437 1 86 . 1 1 89 89 ILE N N 15 . 1 1 89 89 ILE H H 1 0.867 0.467 . . . . . . . . . . 15437 1 87 . 1 1 90 90 LYS N N 15 . 1 1 90 90 LYS H H 1 0.930 0.111 . . . . . . . . . . 15437 1 88 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.847 0.068 . . . . . . . . . . 15437 1 89 . 1 1 92 92 ILE N N 15 . 1 1 92 92 ILE H H 1 0.881 0.160 . . . . . . . . . . 15437 1 90 . 1 1 93 93 PHE N N 15 . 1 1 93 93 PHE H H 1 0.748 0.238 . . . . . . . . . . 15437 1 91 . 1 1 94 94 HIS N N 15 . 1 1 94 94 HIS H H 1 0.839 0.149 . . . . . . . . . . 15437 1 92 . 1 1 95 95 HIS N N 15 . 1 1 95 95 HIS H H 1 0.814 0.058 . . . . . . . . . . 15437 1 93 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.834 0.191 . . . . . . . . . . 15437 1 94 . 1 1 97 97 GLU N N 15 . 1 1 97 97 GLU H H 1 1.002 0.058 . . . . . . . . . . 15437 1 95 . 1 1 98 98 GLU N N 15 . 1 1 98 98 GLU H H 1 0.740 0.172 . . . . . . . . . . 15437 1 96 . 1 1 99 99 LEU N N 15 . 1 1 99 99 LEU H H 1 0.736 0.102 . . . . . . . . . . 15437 1 97 . 1 1 100 100 VAL N N 15 . 1 1 100 100 VAL H H 1 0.700 0.246 . . . . . . . . . . 15437 1 98 . 1 1 101 101 HIS N N 15 . 1 1 101 101 HIS H H 1 0.395 0.089 . . . . . . . . . . 15437 1 99 . 1 1 102 102 ARG N N 15 . 1 1 102 102 ARG H H 1 0.204 0.069 . . . . . . . . . . 15437 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_NOE_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode NOE_list_2 _Heteronucl_NOE_list.Entry_ID 15437 _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 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _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 '2D 1H-15N HSQC' . . . 15437 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 2 2 TYR N N 15 . 1 1 2 2 TYR H H 1 0.133 0.189 . . . . . . . . . . 15437 2 2 . 1 1 3 3 GLY N N 15 . 1 1 3 3 GLY H H 1 0.396 0.106 . . . . . . . . . . 15437 2 3 . 1 1 4 4 LYS N N 15 . 1 1 4 4 LYS H H 1 0.518 0.130 . . . . . . . . . . 15437 2 4 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.793 0.153 . . . . . . . . . . 15437 2 5 . 1 1 6 6 ASN N N 15 . 1 1 6 6 ASN H H 1 0.780 0.110 . . . . . . . . . . 15437 2 6 . 1 1 7 7 ASP N N 15 . 1 1 7 7 ASP H H 1 0.671 0.100 . . . . . . . . . . 15437 2 7 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.811 0.091 . . . . . . . . . . 15437 2 8 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.815 0.132 . . . . . . . . . . 15437 2 9 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.714 0.157 . . . . . . . . . . 15437 2 10 . 1 1 11 11 ASP N N 15 . 1 1 11 11 ASP H H 1 0.821 0.128 . . . . . . . . . . 15437 2 11 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.725 0.145 . . . . . . . . . . 15437 2 12 . 1 1 13 13 GLN N N 15 . 1 1 13 13 GLN H H 1 0.718 0.214 . . . . . . . . . . 15437 2 13 . 1 1 14 14 GLU N N 15 . 1 1 14 14 GLU H H 1 0.808 0.148 . . . . . . . . . . 15437 2 14 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.768 0.125 . . . . . . . . . . 15437 2 15 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.878 0.177 . . . . . . . . . . 15437 2 16 . 1 1 17 17 LYS N N 15 . 1 1 17 17 LYS H H 1 0.723 0.287 . . . . . . . . . . 15437 2 17 . 1 1 18 18 HIS N N 15 . 1 1 18 18 HIS H H 1 0.808 0.223 . . . . . . . . . . 15437 2 18 . 1 1 20 20 ASN N N 15 . 1 1 20 20 ASN H H 1 0.732 0.496 . . . . . . . . . . 15437 2 19 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.782 0.140 . . . . . . . . . . 15437 2 20 . 1 1 22 22 HIS N N 15 . 1 1 22 22 HIS H H 1 0.823 0.296 . . . . . . . . . . 15437 2 21 . 1 1 23 23 TRP N N 15 . 1 1 23 23 TRP H H 1 0.649 0.165 . . . . . . . . . . 15437 2 22 . 1 1 24 24 GLN N N 15 . 1 1 24 24 GLN H H 1 0.672 0.409 . . . . . . . . . . 15437 2 23 . 1 1 26 26 GLY N N 15 . 1 1 26 26 GLY H H 1 0.479 0.159 . . . . . . . . . . 15437 2 24 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.708 0.312 . . . . . . . . . . 15437 2 25 . 1 1 28 28 LYS N N 15 . 1 1 28 28 LYS H H 1 0.618 0.122 . . . . . . . . . . 15437 2 26 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.591 0.099 . . . . . . . . . . 15437 2 27 . 1 1 30 30 MET N N 15 . 1 1 30 30 MET H H 1 0.672 0.434 . . . . . . . . . . 15437 2 28 . 1 1 31 31 ASN N N 15 . 1 1 31 31 ASN H H 1 0.741 0.239 . . . . . . . . . . 15437 2 29 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.662 0.308 . . . . . . . . . . 15437 2 30 . 1 1 33 33 VAL N N 15 . 1 1 33 33 VAL H H 1 0.629 0.185 . . . . . . . . . . 15437 2 31 . 1 1 34 34 ASP N N 15 . 1 1 34 34 ASP H H 1 0.699 0.303 . . . . . . . . . . 15437 2 32 . 1 1 35 35 HIS N N 15 . 1 1 35 35 HIS H H 1 0.848 0.667 . . . . . . . . . . 15437 2 33 . 1 1 36 36 HIS N N 15 . 1 1 36 36 HIS H H 1 0.752 0.072 . . . . . . . . . . 15437 2 34 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.839 0.194 . . . . . . . . . . 15437 2 35 . 1 1 38 38 GLN N N 15 . 1 1 38 38 GLN H H 1 0.738 0.232 . . . . . . . . . . 15437 2 36 . 1 1 39 39 ASN N N 15 . 1 1 39 39 ASN H H 1 0.826 0.143 . . . . . . . . . . 15437 2 37 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.789 0.178 . . . . . . . . . . 15437 2 38 . 1 1 41 41 ILE N N 15 . 1 1 41 41 ILE H H 1 0.801 0.183 . . . . . . . . . . 15437 2 39 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.833 0.123 . . . . . . . . . . 15437 2 40 . 1 1 43 43 ASP N N 15 . 1 1 43 43 ASP H H 1 0.824 0.111 . . . . . . . . . . 15437 2 41 . 1 1 44 44 ILE N N 15 . 1 1 44 44 ILE H H 1 0.876 0.212 . . . . . . . . . . 15437 2 42 . 1 1 45 45 HIS N N 15 . 1 1 45 45 HIS H H 1 0.814 0.149 . . . . . . . . . . 15437 2 43 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.729 0.098 . . . . . . . . . . 15437 2 44 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.697 0.162 . . . . . . . . . . 15437 2 45 . 1 1 48 48 MET N N 15 . 1 1 48 48 MET H H 1 0.759 0.214 . . . . . . . . . . 15437 2 46 . 1 1 49 49 GLN N N 15 . 1 1 49 49 GLN H H 1 0.613 0.127 . . . . . . . . . . 15437 2 47 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.449 0.108 . . . . . . . . . . 15437 2 48 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.427 0.093 . . . . . . . . . . 15437 2 49 . 1 1 52 52 GLY N N 15 . 1 1 52 52 GLY H H 1 0.576 0.087 . . . . . . . . . . 15437 2 50 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.508 0.258 . . . . . . . . . . 15437 2 51 . 1 1 54 54 GLY N N 15 . 1 1 54 54 GLY H H 1 0.583 0.181 . . . . . . . . . . 15437 2 52 . 1 1 55 55 GLY N N 15 . 1 1 55 55 GLY H H 1 0.661 0.136 . . . . . . . . . . 15437 2 53 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.789 0.169 . . . . . . . . . . 15437 2 54 . 1 1 57 57 LEU N N 15 . 1 1 57 57 LEU H H 1 0.843 0.120 . . . . . . . . . . 15437 2 55 . 1 1 58 58 GLN N N 15 . 1 1 58 58 GLN H H 1 0.657 0.112 . . . . . . . . . . 15437 2 56 . 1 1 59 59 GLU N N 15 . 1 1 59 59 GLU H H 1 0.849 0.136 . . . . . . . . . . 15437 2 57 . 1 1 60 60 MET N N 15 . 1 1 60 60 MET H H 1 0.838 0.165 . . . . . . . . . . 15437 2 58 . 1 1 61 61 MET N N 15 . 1 1 61 61 MET H H 1 0.788 0.194 . . . . . . . . . . 15437 2 59 . 1 1 62 62 LYS N N 15 . 1 1 62 62 LYS H H 1 0.843 0.208 . . . . . . . . . . 15437 2 60 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.728 0.206 . . . . . . . . . . 15437 2 61 . 1 1 64 64 PHE N N 15 . 1 1 64 64 PHE H H 1 0.833 0.206 . . . . . . . . . . 15437 2 62 . 1 1 65 65 GLN N N 15 . 1 1 65 65 GLN H H 1 0.861 0.166 . . . . . . . . . . 15437 2 63 . 1 1 66 66 GLN N N 15 . 1 1 66 66 GLN H H 1 0.748 0.169 . . . . . . . . . . 15437 2 64 . 1 1 67 67 VAL N N 15 . 1 1 67 67 VAL H H 1 0.766 0.090 . . . . . . . . . . 15437 2 65 . 1 1 68 68 LEU N N 15 . 1 1 68 68 LEU H H 1 0.759 0.148 . . . . . . . . . . 15437 2 66 . 1 1 69 69 ASP N N 15 . 1 1 69 69 ASP H H 1 0.818 0.155 . . . . . . . . . . 15437 2 67 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.826 0.155 . . . . . . . . . . 15437 2 68 . 1 1 71 71 ILE N N 15 . 1 1 71 71 ILE H H 1 0.652 0.289 . . . . . . . . . . 15437 2 69 . 1 1 72 72 LYS N N 15 . 1 1 72 72 LYS H H 1 0.835 0.187 . . . . . . . . . . 15437 2 70 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.790 0.160 . . . . . . . . . . 15437 2 71 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.713 0.227 . . . . . . . . . . 15437 2 72 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.827 0.668 . . . . . . . . . . 15437 2 73 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.666 0.424 . . . . . . . . . . 15437 2 74 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.531 0.306 . . . . . . . . . . 15437 2 75 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.654 0.309 . . . . . . . . . . 15437 2 76 . 1 1 79 79 ASP N N 15 . 1 1 79 79 ASP H H 1 0.689 0.177 . . . . . . . . . . 15437 2 77 . 1 1 80 80 ASN N N 15 . 1 1 80 80 ASN H H 1 0.648 0.150 . . . . . . . . . . 15437 2 78 . 1 1 81 81 SER N N 15 . 1 1 81 81 SER H H 1 0.692 0.247 . . . . . . . . . . 15437 2 79 . 1 1 82 82 LEU N N 15 . 1 1 82 82 LEU H H 1 0.727 0.071 . . . . . . . . . . 15437 2 80 . 1 1 83 83 HIS N N 15 . 1 1 83 83 HIS H H 1 0.675 0.183 . . . . . . . . . . 15437 2 81 . 1 1 84 84 ASN N N 15 . 1 1 84 84 ASN H H 1 0.753 0.185 . . . . . . . . . . 15437 2 82 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.746 0.081 . . . . . . . . . . 15437 2 83 . 1 1 86 86 HIS N N 15 . 1 1 86 86 HIS H H 1 0.763 0.128 . . . . . . . . . . 15437 2 84 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.749 0.361 . . . . . . . . . . 15437 2 85 . 1 1 88 88 ASN N N 15 . 1 1 88 88 ASN H H 1 0.760 0.208 . . . . . . . . . . 15437 2 86 . 1 1 89 89 ILE N N 15 . 1 1 89 89 ILE H H 1 0.800 0.450 . . . . . . . . . . 15437 2 87 . 1 1 90 90 LYS N N 15 . 1 1 90 90 LYS H H 1 0.731 0.140 . . . . . . . . . . 15437 2 88 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.746 0.075 . . . . . . . . . . 15437 2 89 . 1 1 92 92 ILE N N 15 . 1 1 92 92 ILE H H 1 0.804 0.199 . . . . . . . . . . 15437 2 90 . 1 1 93 93 PHE N N 15 . 1 1 93 93 PHE H H 1 0.785 0.280 . . . . . . . . . . 15437 2 91 . 1 1 94 94 HIS N N 15 . 1 1 94 94 HIS H H 1 0.823 0.178 . . . . . . . . . . 15437 2 92 . 1 1 95 95 HIS N N 15 . 1 1 95 95 HIS H H 1 0.742 0.055 . . . . . . . . . . 15437 2 93 . 1 1 96 96 LEU N N 15 . 1 1 96 96 LEU H H 1 0.810 0.202 . . . . . . . . . . 15437 2 94 . 1 1 97 97 GLU N N 15 . 1 1 97 97 GLU H H 1 0.854 0.162 . . . . . . . . . . 15437 2 95 . 1 1 98 98 GLU N N 15 . 1 1 98 98 GLU H H 1 0.696 0.234 . . . . . . . . . . 15437 2 96 . 1 1 99 99 LEU N N 15 . 1 1 99 99 LEU H H 1 0.826 0.120 . . . . . . . . . . 15437 2 97 . 1 1 100 100 VAL N N 15 . 1 1 100 100 VAL H H 1 0.720 0.325 . . . . . . . . . . 15437 2 98 . 1 1 101 101 HIS N N 15 . 1 1 101 101 HIS H H 1 0.617 0.105 . . . . . . . . . . 15437 2 99 . 1 1 102 102 ARG N N 15 . 1 1 102 102 ARG H H 1 -0.078 0.038 . . . . . . . . . . 15437 2 stop_ save_