############################## # 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 53710 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name HetNoe_800 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _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 3 '1H-15N heteronoe' . . . 53710 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 . . 53710 1 2 $software_2 . . 53710 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 ARG N N 15 . 1 1 4 4 ARG H H 1 0.321 0.064 . . . . . . . . . . 53710 1 2 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.418 0.068 . . . . . . . . . . 53710 1 3 . 1 1 7 7 CYS N N 15 . 1 1 7 7 CYS H H 1 0.399 0.119 . . . . . . . . . . 53710 1 4 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.262 0.107 . . . . . . . . . . 53710 1 5 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.459 0.060 . . . . . . . . . . 53710 1 6 . 1 1 10 10 ASP N N 15 . 1 1 10 10 ASP H H 1 0.443 0.041 . . . . . . . . . . 53710 1 7 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 0.456 0.037 . . . . . . . . . . 53710 1 8 . 1 1 13 13 ARG N N 15 . 1 1 13 13 ARG H H 1 0.807 0.072 . . . . . . . . . . 53710 1 9 . 1 1 14 14 ASP N N 15 . 1 1 14 14 ASP H H 1 0.574 0.047 . . . . . . . . . . 53710 1 10 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.566 0.060 . . . . . . . . . . 53710 1 11 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.527 0.042 . . . . . . . . . . 53710 1 12 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 0.524 0.051 . . . . . . . . . . 53710 1 13 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.391 0.111 . . . . . . . . . . 53710 1 14 . 1 1 19 19 ARG N N 15 . 1 1 19 19 ARG H H 1 0.478 0.053 . . . . . . . . . . 53710 1 15 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.466 0.036 . . . . . . . . . . 53710 1 16 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.447 0.045 . . . . . . . . . . 53710 1 17 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.566 0.042 . . . . . . . . . . 53710 1 18 . 1 1 24 24 GLU N N 15 . 1 1 24 24 GLU H H 1 0.350 0.035 . . . . . . . . . . 53710 1 19 . 1 1 25 25 SER N N 15 . 1 1 25 25 SER H H 1 0.451 0.061 . . . . . . . . . . 53710 1 20 . 1 1 26 26 CYS N N 15 . 1 1 26 26 CYS H H 1 0.462 0.087 . . . . . . . . . . 53710 1 21 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.661 0.115 . . . . . . . . . . 53710 1 22 . 1 1 28 28 ARG N N 15 . 1 1 28 28 ARG H H 1 0.413 0.034 . . . . . . . . . . 53710 1 23 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.515 0.038 . . . . . . . . . . 53710 1 24 . 1 1 31 31 SER N N 15 . 1 1 31 31 SER H H 1 0.638 0.100 . . . . . . . . . . 53710 1 25 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.482 0.069 . . . . . . . . . . 53710 1 26 . 1 1 33 33 SER N N 15 . 1 1 33 33 SER H H 1 0.474 0.059 . . . . . . . . . . 53710 1 27 . 1 1 34 34 LEU N N 15 . 1 1 34 34 LEU H H 1 0.465 0.035 . . . . . . . . . . 53710 1 28 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.423 0.026 . . . . . . . . . . 53710 1 29 . 1 1 36 36 THR N N 15 . 1 1 36 36 THR H H 1 0.422 0.038 . . . . . . . . . . 53710 1 30 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.392 0.031 . . . . . . . . . . 53710 1 31 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.351 0.036 . . . . . . . . . . 53710 1 32 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.307 0.055 . . . . . . . . . . 53710 1 33 . 1 1 41 41 SER N N 15 . 1 1 41 41 SER H H 1 0.258 0.038 . . . . . . . . . . 53710 1 34 . 1 1 43 43 SER N N 15 . 1 1 43 43 SER H H 1 0.426 0.048 . . . . . . . . . . 53710 1 35 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.364 0.037 . . . . . . . . . . 53710 1 36 . 1 1 45 45 VAL N N 15 . 1 1 45 45 VAL H H 1 0.318 0.098 . . . . . . . . . . 53710 1 37 . 1 1 47 47 THR N N 15 . 1 1 47 47 THR H H 1 0.451 0.035 . . . . . . . . . . 53710 1 38 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.475 0.033 . . . . . . . . . . 53710 1 39 . 1 1 49 49 HIS N N 15 . 1 1 49 49 HIS H H 1 0.487 0.052 . . . . . . . . . . 53710 1 40 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.495 0.037 . . . . . . . . . . 53710 1 41 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.563 0.033 . . . . . . . . . . 53710 1 42 . 1 1 52 52 HIS N N 15 . 1 1 52 52 HIS H H 1 0.508 0.046 . . . . . . . . . . 53710 1 43 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.610 0.050 . . . . . . . . . . 53710 1 44 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 0.534 0.049 . . . . . . . . . . 53710 1 45 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.594 0.055 . . . . . . . . . . 53710 1 46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.531 0.055 . . . . . . . . . . 53710 1 47 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.503 0.062 . . . . . . . . . . 53710 1 48 . 1 1 58 58 LEU N N 15 . 1 1 58 58 LEU H H 1 0.708 0.067 . . . . . . . . . . 53710 1 49 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.412 0.046 . . . . . . . . . . 53710 1 50 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.813 0.153 . . . . . . . . . . 53710 1 51 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.767 0.123 . . . . . . . . . . 53710 1 52 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.446 0.090 . . . . . . . . . . 53710 1 53 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.581 0.087 . . . . . . . . . . 53710 1 54 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 0.391 0.082 . . . . . . . . . . 53710 1 55 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.422 0.061 . . . . . . . . . . 53710 1 56 . 1 1 69 69 CYS N N 15 . 1 1 69 69 CYS H H 1 0.538 0.122 . . . . . . . . . . 53710 1 57 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.409 0.072 . . . . . . . . . . 53710 1 58 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.614 0.083 . . . . . . . . . . 53710 1 59 . 1 1 72 72 ARG N N 15 . 1 1 72 72 ARG H H 1 0.405 0.101 . . . . . . . . . . 53710 1 60 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.238 0.188 . . . . . . . . . . 53710 1 61 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.508 0.046 . . . . . . . . . . 53710 1 62 . 1 1 76 76 ALA N N 15 . 1 1 76 76 ALA H H 1 0.419 0.096 . . . . . . . . . . 53710 1 63 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.513 0.050 . . . . . . . . . . 53710 1 64 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.377 0.140 . . . . . . . . . . 53710 1 65 . 1 1 79 79 MET N N 15 . 1 1 79 79 MET H H 1 0.718 0.141 . . . . . . . . . . 53710 1 66 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.455 0.082 . . . . . . . . . . 53710 1 67 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.454 0.087 . . . . . . . . . . 53710 1 68 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.580 0.121 . . . . . . . . . . 53710 1 69 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.507 0.057 . . . . . . . . . . 53710 1 70 . 1 1 84 84 ASN N N 15 . 1 1 84 84 ASN H H 1 0.434 0.085 . . . . . . . . . . 53710 1 71 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.359 0.149 . . . . . . . . . . 53710 1 72 . 1 1 86 86 HIS N N 15 . 1 1 86 86 HIS H H 1 0.529 0.065 . . . . . . . . . . 53710 1 73 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.490 0.143 . . . . . . . . . . 53710 1 74 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.450 0.046 . . . . . . . . . . 53710 1 75 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.541 0.092 . . . . . . . . . . 53710 1 76 . 1 1 91 91 LYS N N 15 . 1 1 91 91 LYS H H 1 0.614 0.067 . . . . . . . . . . 53710 1 77 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.583 0.129 . . . . . . . . . . 53710 1 78 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.543 0.091 . . . . . . . . . . 53710 1 79 . 1 1 94 94 HIS N N 15 . 1 1 94 94 HIS H H 1 0.569 0.107 . . . . . . . . . . 53710 1 80 . 1 1 95 95 LYS N N 15 . 1 1 95 95 LYS H H 1 0.744 0.072 . . . . . . . . . . 53710 1 81 . 1 1 96 96 ARG N N 15 . 1 1 96 96 ARG H H 1 0.488 0.110 . . . . . . . . . . 53710 1 82 . 1 1 97 97 THR N N 15 . 1 1 97 97 THR H H 1 0.494 0.083 . . . . . . . . . . 53710 1 83 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.582 0.066 . . . . . . . . . . 53710 1 84 . 1 1 99 99 GLY N N 15 . 1 1 99 99 GLY H H 1 0.430 0.110 . . . . . . . . . . 53710 1 85 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.504 0.036 . . . . . . . . . . 53710 1 86 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.477 0.123 . . . . . . . . . . 53710 1 87 . 1 1 103 103 MET N N 15 . 1 1 103 103 MET H H 1 0.527 0.087 . . . . . . . . . . 53710 1 88 . 1 1 104 104 SER N N 15 . 1 1 104 104 SER H H 1 0.523 0.141 . . . . . . . . . . 53710 1 89 . 1 1 105 105 THR N N 15 . 1 1 105 105 THR H H 1 0.502 0.085 . . . . . . . . . . 53710 1 90 . 1 1 106 106 THR N N 15 . 1 1 106 106 THR H H 1 0.740 0.078 . . . . . . . . . . 53710 1 91 . 1 1 107 107 ASP N N 15 . 1 1 107 107 ASP H H 1 0.854 0.142 . . . . . . . . . . 53710 1 92 . 1 1 109 109 GLU N N 15 . 1 1 109 109 GLU H H 1 1.000 0.107 . . . . . . . . . . 53710 1 93 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.645 0.099 . . . . . . . . . . 53710 1 94 . 1 1 111 111 TYR N N 15 . 1 1 111 111 TYR H H 1 0.738 0.088 . . . . . . . . . . 53710 1 95 . 1 1 112 112 PHE N N 15 . 1 1 112 112 PHE H H 1 0.821 0.079 . . . . . . . . . . 53710 1 96 . 1 1 113 113 LYS N N 15 . 1 1 113 113 LYS H H 1 0.659 0.088 . . . . . . . . . . 53710 1 97 . 1 1 114 114 ASP N N 15 . 1 1 114 114 ASP H H 1 0.763 0.109 . . . . . . . . . . 53710 1 98 . 1 1 115 115 CYS N N 15 . 1 1 115 115 CYS H H 1 0.775 0.127 . . . . . . . . . . 53710 1 99 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.631 0.147 . . . . . . . . . . 53710 1 100 . 1 1 117 117 PHE N N 15 . 1 1 117 117 PHE H H 1 0.759 0.097 . . . . . . . . . . 53710 1 101 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.610 0.098 . . . . . . . . . . 53710 1 102 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 0.683 0.094 . . . . . . . . . . 53710 1 103 . 1 1 120 120 TRP N N 15 . 1 1 120 120 TRP H H 1 0.345 0.053 . . . . . . . . . . 53710 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 53710 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name HetNoe_1200 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 1200 _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 6 '1H-15N heteronoe' . . . 53710 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 . . 53710 2 2 $software_2 . . 53710 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 4 4 ARG N N 15 . 1 1 4 4 ARG H H 1 0.469 0.058 . . . . . . . . . . 53710 2 2 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 0.629 0.064 . . . . . . . . . . 53710 2 3 . 1 1 7 7 CYS N N 15 . 1 1 7 7 CYS H H 1 0.689 0.126 . . . . . . . . . . 53710 2 4 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.660 0.115 . . . . . . . . . . 53710 2 5 . 1 1 9 9 LEU N N 15 . 1 1 9 9 LEU H H 1 0.847 0.096 . . . . . . . . . . 53710 2 6 . 1 1 10 10 ASP N N 15 . 1 1 10 10 ASP H H 1 0.854 0.076 . . . . . . . . . . 53710 2 7 . 1 1 12 12 ALA N N 15 . 1 1 12 12 ALA H H 1 0.656 0.041 . . . . . . . . . . 53710 2 8 . 1 1 13 13 ARG N N 15 . 1 1 13 13 ARG H H 1 0.815 0.074 . . . . . . . . . . 53710 2 9 . 1 1 14 14 ASP N N 15 . 1 1 14 14 ASP H H 1 0.629 0.069 . . . . . . . . . . 53710 2 10 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.825 0.080 . . . . . . . . . . 53710 2 11 . 1 1 16 16 LEU N N 15 . 1 1 16 16 LEU H H 1 0.731 0.055 . . . . . . . . . . 53710 2 12 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 0.670 0.064 . . . . . . . . . . 53710 2 13 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.473 0.193 . . . . . . . . . . 53710 2 14 . 1 1 19 19 ARG N N 15 . 1 1 19 19 ARG H H 1 0.642 0.063 . . . . . . . . . . 53710 2 15 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.717 0.043 . . . . . . . . . . 53710 2 16 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 0.811 0.061 . . . . . . . . . . 53710 2 17 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.680 0.051 . . . . . . . . . . 53710 2 18 . 1 1 24 24 GLU N N 15 . 1 1 24 24 GLU H H 1 0.660 0.042 . . . . . . . . . . 53710 2 19 . 1 1 25 25 SER N N 15 . 1 1 25 25 SER H H 1 0.644 0.085 . . . . . . . . . . 53710 2 20 . 1 1 26 26 CYS N N 15 . 1 1 26 26 CYS H H 1 0.685 0.161 . . . . . . . . . . 53710 2 21 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.647 0.103 . . . . . . . . . . 53710 2 22 . 1 1 28 28 ARG N N 15 . 1 1 28 28 ARG H H 1 0.661 0.049 . . . . . . . . . . 53710 2 23 . 1 1 30 30 PHE N N 15 . 1 1 30 30 PHE H H 1 0.707 0.059 . . . . . . . . . . 53710 2 24 . 1 1 31 31 SER N N 15 . 1 1 31 31 SER H H 1 0.708 0.105 . . . . . . . . . . 53710 2 25 . 1 1 32 32 GLY N N 15 . 1 1 32 32 GLY H H 1 0.632 0.094 . . . . . . . . . . 53710 2 26 . 1 1 33 33 SER N N 15 . 1 1 33 33 SER H H 1 0.685 0.081 . . . . . . . . . . 53710 2 27 . 1 1 34 34 LEU N N 15 . 1 1 34 34 LEU H H 1 0.606 0.041 . . . . . . . . . . 53710 2 28 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 0.682 0.034 . . . . . . . . . . 53710 2 29 . 1 1 36 36 THR N N 15 . 1 1 36 36 THR H H 1 0.770 0.055 . . . . . . . . . . 53710 2 30 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.631 0.046 . . . . . . . . . . 53710 2 31 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.673 0.053 . . . . . . . . . . 53710 2 32 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.479 0.060 . . . . . . . . . . 53710 2 33 . 1 1 41 41 SER N N 15 . 1 1 41 41 SER H H 1 0.604 0.055 . . . . . . . . . . 53710 2 34 . 1 1 43 43 SER N N 15 . 1 1 43 43 SER H H 1 1.055 0.431 . . . . . . . . . . 53710 2 35 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.691 0.057 . . . . . . . . . . 53710 2 36 . 1 1 45 45 VAL N N 15 . 1 1 45 45 VAL H H 1 0.838 0.147 . . . . . . . . . . 53710 2 37 . 1 1 47 47 THR N N 15 . 1 1 47 47 THR H H 1 0.734 0.050 . . . . . . . . . . 53710 2 38 . 1 1 48 48 ASP N N 15 . 1 1 48 48 ASP H H 1 0.724 0.045 . . . . . . . . . . 53710 2 39 . 1 1 49 49 HIS N N 15 . 1 1 49 49 HIS H H 1 0.631 0.210 . . . . . . . . . . 53710 2 40 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.642 0.060 . . . . . . . . . . 53710 2 41 . 1 1 51 51 ALA N N 15 . 1 1 51 51 ALA H H 1 0.736 0.047 . . . . . . . . . . 53710 2 42 . 1 1 52 52 HIS N N 15 . 1 1 52 52 HIS H H 1 0.560 0.068 . . . . . . . . . . 53710 2 43 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.717 0.060 . . . . . . . . . . 53710 2 44 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 0.732 0.079 . . . . . . . . . . 53710 2 45 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.877 0.076 . . . . . . . . . . 53710 2 46 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.599 0.081 . . . . . . . . . . 53710 2 47 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 0.665 0.070 . . . . . . . . . . 53710 2 48 . 1 1 58 58 LEU N N 15 . 1 1 58 58 LEU H H 1 0.563 0.074 . . . . . . . . . . 53710 2 49 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.616 0.070 . . . . . . . . . . 53710 2 50 . 1 1 61 61 CYS N N 15 . 1 1 61 61 CYS H H 1 0.580 0.175 . . . . . . . . . . 53710 2 51 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.604 0.178 . . . . . . . . . . 53710 2 52 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.703 0.280 . . . . . . . . . . 53710 2 53 . 1 1 64 64 SER N N 15 . 1 1 64 64 SER H H 1 0.728 0.113 . . . . . . . . . . 53710 2 54 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 0.675 0.112 . . . . . . . . . . 53710 2 55 . 1 1 67 67 GLY N N 15 . 1 1 67 67 GLY H H 1 0.617 0.081 . . . . . . . . . . 53710 2 56 . 1 1 69 69 CYS N N 15 . 1 1 69 69 CYS H H 1 0.437 0.131 . . . . . . . . . . 53710 2 57 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 0.612 0.135 . . . . . . . . . . 53710 2 58 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.920 0.130 . . . . . . . . . . 53710 2 59 . 1 1 72 72 ARG N N 15 . 1 1 72 72 ARG H H 1 0.854 0.220 . . . . . . . . . . 53710 2 60 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.815 0.212 . . . . . . . . . . 53710 2 61 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.528 0.067 . . . . . . . . . . 53710 2 62 . 1 1 76 76 ALA N N 15 . 1 1 76 76 ALA H H 1 0.569 0.140 . . . . . . . . . . 53710 2 63 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.655 0.064 . . . . . . . . . . 53710 2 64 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.856 0.642 . . . . . . . . . . 53710 2 65 . 1 1 79 79 MET N N 15 . 1 1 79 79 MET H H 1 0.785 0.112 . . . . . . . . . . 53710 2 66 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.729 0.203 . . . . . . . . . . 53710 2 67 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.513 0.112 . . . . . . . . . . 53710 2 68 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.843 0.190 . . . . . . . . . . 53710 2 69 . 1 1 83 83 VAL N N 15 . 1 1 83 83 VAL H H 1 0.628 0.059 . . . . . . . . . . 53710 2 70 . 1 1 84 84 ASN N N 15 . 1 1 84 84 ASN H H 1 0.710 0.109 . . . . . . . . . . 53710 2 71 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.772 0.144 . . . . . . . . . . 53710 2 72 . 1 1 86 86 HIS N N 15 . 1 1 86 86 HIS H H 1 0.715 0.096 . . . . . . . . . . 53710 2 73 . 1 1 87 87 GLN N N 15 . 1 1 87 87 GLN H H 1 0.855 0.114 . . . . . . . . . . 53710 2 74 . 1 1 88 88 ILE N N 15 . 1 1 88 88 ILE H H 1 0.699 0.074 . . . . . . . . . . 53710 2 75 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.792 0.148 . . . . . . . . . . 53710 2 76 . 1 1 91 91 LYS N N 15 . 1 1 91 91 LYS H H 1 0.720 0.093 . . . . . . . . . . 53710 2 77 . 1 1 92 92 VAL N N 15 . 1 1 92 92 VAL H H 1 0.797 0.193 . . . . . . . . . . 53710 2 78 . 1 1 93 93 LEU N N 15 . 1 1 93 93 LEU H H 1 0.487 0.099 . . . . . . . . . . 53710 2 79 . 1 1 94 94 HIS N N 15 . 1 1 94 94 HIS H H 1 0.851 0.067 . . . . . . . . . . 53710 2 80 . 1 1 95 95 LYS N N 15 . 1 1 95 95 LYS H H 1 0.794 0.111 . . . . . . . . . . 53710 2 81 . 1 1 96 96 ARG N N 15 . 1 1 96 96 ARG H H 1 0.505 0.254 . . . . . . . . . . 53710 2 82 . 1 1 97 97 THR N N 15 . 1 1 97 97 THR H H 1 0.957 0.196 . . . . . . . . . . 53710 2 83 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.660 0.081 . . . . . . . . . . 53710 2 84 . 1 1 99 99 GLY N N 15 . 1 1 99 99 GLY H H 1 0.880 0.231 . . . . . . . . . . 53710 2 85 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 0.743 0.059 . . . . . . . . . . 53710 2 86 . 1 1 101 101 SER N N 15 . 1 1 101 101 SER H H 1 0.633 0.072 . . . . . . . . . . 53710 2 87 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.696 0.185 . . . . . . . . . . 53710 2 88 . 1 1 103 103 MET N N 15 . 1 1 103 103 MET H H 1 0.522 0.150 . . . . . . . . . . 53710 2 89 . 1 1 105 105 THR N N 15 . 1 1 105 105 THR H H 1 0.832 0.263 . . . . . . . . . . 53710 2 90 . 1 1 106 106 THR N N 15 . 1 1 106 106 THR H H 1 0.703 0.087 . . . . . . . . . . 53710 2 91 . 1 1 107 107 ASP N N 15 . 1 1 107 107 ASP H H 1 1.185 0.264 . . . . . . . . . . 53710 2 92 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 0.690 0.151 . . . . . . . . . . 53710 2 93 . 1 1 109 109 GLU N N 15 . 1 1 109 109 GLU H H 1 0.745 0.103 . . . . . . . . . . 53710 2 94 . 1 1 110 110 ALA N N 15 . 1 1 110 110 ALA H H 1 0.926 0.175 . . . . . . . . . . 53710 2 95 . 1 1 111 111 TYR N N 15 . 1 1 111 111 TYR H H 1 1.054 0.303 . . . . . . . . . . 53710 2 96 . 1 1 112 112 PHE N N 15 . 1 1 112 112 PHE H H 1 0.704 0.093 . . . . . . . . . . 53710 2 97 . 1 1 113 113 LYS N N 15 . 1 1 113 113 LYS H H 1 0.951 0.183 . . . . . . . . . . 53710 2 98 . 1 1 114 114 ASP N N 15 . 1 1 114 114 ASP H H 1 0.826 0.177 . . . . . . . . . . 53710 2 99 . 1 1 115 115 CYS N N 15 . 1 1 115 115 CYS H H 1 0.844 0.207 . . . . . . . . . . 53710 2 100 . 1 1 116 116 LEU N N 15 . 1 1 116 116 LEU H H 1 0.602 0.248 . . . . . . . . . . 53710 2 101 . 1 1 117 117 PHE N N 15 . 1 1 117 117 PHE H H 1 0.621 0.104 . . . . . . . . . . 53710 2 102 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.753 0.143 . . . . . . . . . . 53710 2 103 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 1.073 0.203 . . . . . . . . . . 53710 2 104 . 1 1 120 120 TRP N N 15 . 1 1 120 120 TRP H H 1 0.807 0.095 . . . . . . . . . . 53710 2 stop_ save_