############################## # 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 50233 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name NOE-600MHz _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600.4028155 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '1H-15N heteronoe' . . . 50233 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 . . 50233 1 2 $software_2 . . 50233 1 3 $software_4 . . 50233 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 5 5 SER N N 15 . 1 1 5 5 SER H H 1 -0.943 0.017 . . . . . . . . . . 50233 1 2 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 -0.553 0.017 . . . . . . . . . . 50233 1 3 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 -0.482 0.017 . . . . . . . . . . 50233 1 4 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 -0.40852 0.017 . . . . . . . . . . 50233 1 5 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 -0.41468 0.017 . . . . . . . . . . 50233 1 6 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 -0.39942 0.017 . . . . . . . . . . 50233 1 7 . 1 1 13 13 THR N N 15 . 1 1 13 13 THR H H 1 -0.29971 0.017 . . . . . . . . . . 50233 1 8 . 1 1 14 14 THR N N 15 . 1 1 14 14 THR H H 1 -0.44817 0.017 . . . . . . . . . . 50233 1 9 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 -0.32864 0.017 . . . . . . . . . . 50233 1 10 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 -0.27994 0.017 . . . . . . . . . . 50233 1 11 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 -0.23416 0.017 . . . . . . . . . . 50233 1 12 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 -0.19033 0.017 . . . . . . . . . . 50233 1 13 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.11076 0.017 . . . . . . . . . . 50233 1 14 . 1 1 21 21 SER N N 15 . 1 1 21 21 SER H H 1 0.28698 0.017 . . . . . . . . . . 50233 1 15 . 1 1 27 27 ALA N N 15 . 1 1 27 27 ALA H H 1 0.50266 0.017 . . . . . . . . . . 50233 1 16 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.43471 0.017 . . . . . . . . . . 50233 1 17 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.37625 0.017 . . . . . . . . . . 50233 1 18 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.40542 0.017 . . . . . . . . . . 50233 1 19 . 1 1 33 33 THR N N 15 . 1 1 33 33 THR H H 1 0.54601 0.017 . . . . . . . . . . 50233 1 20 . 1 1 35 35 ILE N N 15 . 1 1 35 35 ILE H H 1 0.65528 0.017 . . . . . . . . . . 50233 1 21 . 1 1 36 36 SER N N 15 . 1 1 36 36 SER H H 1 0.75137 0.017 . . . . . . . . . . 50233 1 22 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.72614 0.017 . . . . . . . . . . 50233 1 23 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.47027 0.017 . . . . . . . . . . 50233 1 24 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.64816 0.017 . . . . . . . . . . 50233 1 25 . 1 1 42 42 GLY N N 15 . 1 1 42 42 GLY H H 1 0.72826 0.017 . . . . . . . . . . 50233 1 26 . 1 1 43 43 THR N N 15 . 1 1 43 43 THR H H 1 0.7434 0.017 . . . . . . . . . . 50233 1 27 . 1 1 44 44 ARG N N 15 . 1 1 44 44 ARG H H 1 0.71544 0.017 . . . . . . . . . . 50233 1 28 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.71123 0.017 . . . . . . . . . . 50233 1 29 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 0.71916 0.017 . . . . . . . . . . 50233 1 30 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.50137 0.017 . . . . . . . . . . 50233 1 31 . 1 1 48 48 THR N N 15 . 1 1 48 48 THR H H 1 0.46558 0.017 . . . . . . . . . . 50233 1 32 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.74246 0.017 . . . . . . . . . . 50233 1 33 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.74108 0.017 . . . . . . . . . . 50233 1 34 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.73598 0.017 . . . . . . . . . . 50233 1 35 . 1 1 54 54 LEU N N 15 . 1 1 54 54 LEU H H 1 0.72944 0.017 . . . . . . . . . . 50233 1 36 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.50404 0.017 . . . . . . . . . . 50233 1 37 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.37675 0.017 . . . . . . . . . . 50233 1 38 . 1 1 59 59 GLN N N 15 . 1 1 59 59 GLN H H 1 0.24395 0.017 . . . . . . . . . . 50233 1 39 . 1 1 60 60 ALA N N 15 . 1 1 60 60 ALA H H 1 0.25627 0.017 . . . . . . . . . . 50233 1 40 . 1 1 64 64 ASN N N 15 . 1 1 64 64 ASN H H 1 0.50208 0.017 . . . . . . . . . . 50233 1 41 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.68579 0.017 . . . . . . . . . . 50233 1 42 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.74553 0.017 . . . . . . . . . . 50233 1 43 . 1 1 67 67 PHE N N 15 . 1 1 67 67 PHE H H 1 0.73656 0.017 . . . . . . . . . . 50233 1 44 . 1 1 68 68 ARG N N 15 . 1 1 68 68 ARG H H 1 0.74448 0.017 . . . . . . . . . . 50233 1 45 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.71869 0.017 . . . . . . . . . . 50233 1 46 . 1 1 70 70 THR N N 15 . 1 1 70 70 THR H H 1 0.7309 0.017 . . . . . . . . . . 50233 1 47 . 1 1 71 71 VAL N N 15 . 1 1 71 71 VAL H H 1 0.71579 0.017 . . . . . . . . . . 50233 1 48 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.69357 0.017 . . . . . . . . . . 50233 1 49 . 1 1 73 73 ASP N N 15 . 1 1 73 73 ASP H H 1 0.6541 0.017 . . . . . . . . . . 50233 1 50 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.68785 0.017 . . . . . . . . . . 50233 1 51 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.68375 0.017 . . . . . . . . . . 50233 1 52 . 1 1 76 76 CYS N N 15 . 1 1 76 76 CYS H H 1 0.72375 0.017 . . . . . . . . . . 50233 1 53 . 1 1 77 77 THR N N 15 . 1 1 77 77 THR H H 1 0.68979 0.017 . . . . . . . . . . 50233 1 54 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.71743 0.017 . . . . . . . . . . 50233 1 55 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 0.67983 0.017 . . . . . . . . . . 50233 1 56 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.41743 0.017 . . . . . . . . . . 50233 1 57 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.69906 0.017 . . . . . . . . . . 50233 1 58 . 1 1 91 91 ALA N N 15 . 1 1 91 91 ALA H H 1 0.74704 0.017 . . . . . . . . . . 50233 1 59 . 1 1 92 92 GLU N N 15 . 1 1 92 92 GLU H H 1 0.76604 0.017 . . . . . . . . . . 50233 1 60 . 1 1 93 93 VAL N N 15 . 1 1 93 93 VAL H H 1 0.7127 0.017 . . . . . . . . . . 50233 1 61 . 1 1 94 94 ALA N N 15 . 1 1 94 94 ALA H H 1 0.70211 0.017 . . . . . . . . . . 50233 1 62 . 1 1 97 97 HIS N N 15 . 1 1 97 97 HIS H H 1 0.54704 0.017 . . . . . . . . . . 50233 1 63 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.54555 0.017 . . . . . . . . . . 50233 1 64 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.46826 0.017 . . . . . . . . . . 50233 1 65 . 1 1 101 101 GLY N N 15 . 1 1 101 101 GLY H H 1 0.41552 0.017 . . . . . . . . . . 50233 1 66 . 1 1 102 102 SER N N 15 . 1 1 102 102 SER H H 1 0.32767 0.017 . . . . . . . . . . 50233 1 67 . 1 1 104 104 LEU N N 15 . 1 1 104 104 LEU H H 1 0.13934 0.017 . . . . . . . . . . 50233 1 68 . 1 1 107 107 ALA N N 15 . 1 1 107 107 ALA H H 1 -0.65055 0.017 . . . . . . . . . . 50233 1 69 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 -0.72162 0.017 . . . . . . . . . . 50233 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 50233 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name NOE-750MHz _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 750.2835263 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '1H-15N heteronoe' . . . 50233 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 . . 50233 2 2 $software_2 . . 50233 2 3 $software_4 . . 50233 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 5 5 SER N N 15 . 1 1 5 5 SER H H 1 -0.421 0.015 . . . . . . . . . . 50233 2 2 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 -0.109 0.015 . . . . . . . . . . 50233 2 3 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 0.113 0.015 . . . . . . . . . . 50233 2 4 . 1 1 10 10 GLY N N 15 . 1 1 10 10 GLY H H 1 -0.115 0.015 . . . . . . . . . . 50233 2 5 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 0.0326 0.015 . . . . . . . . . . 50233 2 6 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 -0.0618 0.015 . . . . . . . . . . 50233 2 7 . 1 1 13 13 THR N N 15 . 1 1 13 13 THR H H 1 -0.0743 0.015 . . . . . . . . . . 50233 2 8 . 1 1 14 14 THR N N 15 . 1 1 14 14 THR H H 1 -0.0572 0.015 . . . . . . . . . . 50233 2 9 . 1 1 15 15 THR N N 15 . 1 1 15 15 THR H H 1 -0.0869 0.015 . . . . . . . . . . 50233 2 10 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 -0.0399 0.015 . . . . . . . . . . 50233 2 11 . 1 1 17 17 CYS N N 15 . 1 1 17 17 CYS H H 1 0.0635 0.015 . . . . . . . . . . 50233 2 12 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.0175 0.015 . . . . . . . . . . 50233 2 13 . 1 1 19 19 LEU N N 15 . 1 1 19 19 LEU H H 1 0.268 0.015 . . . . . . . . . . 50233 2 14 . 1 1 21 21 SER N N 15 . 1 1 21 21 SER H H 1 0.444 0.015 . . . . . . . . . . 50233 2 15 . 1 1 27 27 ALA N N 15 . 1 1 27 27 ALA H H 1 0.54262 0.015 . . . . . . . . . . 50233 2 16 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 0.55992 0.015 . . . . . . . . . . 50233 2 17 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.462 0.015 . . . . . . . . . . 50233 2 18 . 1 1 31 31 GLY N N 15 . 1 1 31 31 GLY H H 1 0.514 0.015 . . . . . . . . . . 50233 2 19 . 1 1 33 33 THR N N 15 . 1 1 33 33 THR H H 1 0.601 0.015 . . . . . . . . . . 50233 2 20 . 1 1 35 35 ILE N N 15 . 1 1 35 35 ILE H H 1 0.69763 0.015 . . . . . . . . . . 50233 2 21 . 1 1 36 36 SER N N 15 . 1 1 36 36 SER H H 1 0.817 0.015 . . . . . . . . . . 50233 2 22 . 1 1 37 37 LEU N N 15 . 1 1 37 37 LEU H H 1 0.78305 0.015 . . . . . . . . . . 50233 2 23 . 1 1 38 38 LEU N N 15 . 1 1 38 38 LEU H H 1 0.585 0.015 . . . . . . . . . . 50233 2 24 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.715 0.015 . . . . . . . . . . 50233 2 25 . 1 1 42 42 GLY N N 15 . 1 1 42 42 GLY H H 1 0.794 0.015 . . . . . . . . . . 50233 2 26 . 1 1 43 43 THR N N 15 . 1 1 43 43 THR H H 1 0.761 0.015 . . . . . . . . . . 50233 2 27 . 1 1 44 44 ARG N N 15 . 1 1 44 44 ARG H H 1 0.75 0.015 . . . . . . . . . . 50233 2 28 . 1 1 45 45 ILE N N 15 . 1 1 45 45 ILE H H 1 0.76609 0.015 . . . . . . . . . . 50233 2 29 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 0.792 0.015 . . . . . . . . . . 50233 2 30 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.60022 0.015 . . . . . . . . . . 50233 2 31 . 1 1 48 48 THR N N 15 . 1 1 48 48 THR H H 1 0.474 0.015 . . . . . . . . . . 50233 2 32 . 1 1 51 51 TYR N N 15 . 1 1 51 51 TYR H H 1 0.77834 0.015 . . . . . . . . . . 50233 2 33 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.725 0.015 . . . . . . . . . . 50233 2 34 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.74782 0.015 . . . . . . . . . . 50233 2 35 . 1 1 54 54 LEU N N 15 . 1 1 54 54 LEU H H 1 0.80752 0.015 . . . . . . . . . . 50233 2 36 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.55258 0.015 . . . . . . . . . . 50233 2 37 . 1 1 57 57 GLU N N 15 . 1 1 57 57 GLU H H 1 0.417 0.015 . . . . . . . . . . 50233 2 38 . 1 1 59 59 GLN N N 15 . 1 1 59 59 GLN H H 1 0.352 0.015 . . . . . . . . . . 50233 2 39 . 1 1 60 60 ALA N N 15 . 1 1 60 60 ALA H H 1 0.28068 0.015 . . . . . . . . . . 50233 2 40 . 1 1 64 64 ASN N N 15 . 1 1 64 64 ASN H H 1 0.546 0.015 . . . . . . . . . . 50233 2 41 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.73954 0.015 . . . . . . . . . . 50233 2 42 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.827 0.015 . . . . . . . . . . 50233 2 43 . 1 1 67 67 PHE N N 15 . 1 1 67 67 PHE H H 1 0.76569 0.015 . . . . . . . . . . 50233 2 44 . 1 1 68 68 ARG N N 15 . 1 1 68 68 ARG H H 1 0.78402 0.015 . . . . . . . . . . 50233 2 45 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.70392 0.015 . . . . . . . . . . 50233 2 46 . 1 1 70 70 THR N N 15 . 1 1 70 70 THR H H 1 0.751 0.015 . . . . . . . . . . 50233 2 47 . 1 1 71 71 VAL N N 15 . 1 1 71 71 VAL H H 1 0.71491 0.015 . . . . . . . . . . 50233 2 48 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.775 0.015 . . . . . . . . . . 50233 2 49 . 1 1 73 73 ASP N N 15 . 1 1 73 73 ASP H H 1 0.673 0.015 . . . . . . . . . . 50233 2 50 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.705 0.015 . . . . . . . . . . 50233 2 51 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.779 0.015 . . . . . . . . . . 50233 2 52 . 1 1 76 76 CYS N N 15 . 1 1 76 76 CYS H H 1 0.796 0.015 . . . . . . . . . . 50233 2 53 . 1 1 77 77 THR N N 15 . 1 1 77 77 THR H H 1 0.657 0.015 . . . . . . . . . . 50233 2 54 . 1 1 78 78 GLY N N 15 . 1 1 78 78 GLY H H 1 0.737 0.015 . . . . . . . . . . 50233 2 55 . 1 1 80 80 GLY N N 15 . 1 1 80 80 GLY H H 1 0.743 0.015 . . . . . . . . . . 50233 2 56 . 1 1 83 83 LYS N N 15 . 1 1 83 83 LYS H H 1 0.49607 0.015 . . . . . . . . . . 50233 2 57 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.82929 0.015 . . . . . . . . . . 50233 2 58 . 1 1 91 91 ALA N N 15 . 1 1 91 91 ALA H H 1 0.83668 0.015 . . . . . . . . . . 50233 2 59 . 1 1 92 92 GLU N N 15 . 1 1 92 92 GLU H H 1 0.787 0.015 . . . . . . . . . . 50233 2 60 . 1 1 93 93 VAL N N 15 . 1 1 93 93 VAL H H 1 1.14585 0.015 . . . . . . . . . . 50233 2 61 . 1 1 94 94 ALA N N 15 . 1 1 94 94 ALA H H 1 0.8487 0.015 . . . . . . . . . . 50233 2 62 . 1 1 97 97 HIS N N 15 . 1 1 97 97 HIS H H 1 0.618 0.015 . . . . . . . . . . 50233 2 63 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.58127 0.015 . . . . . . . . . . 50233 2 64 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.543 0.015 . . . . . . . . . . 50233 2 65 . 1 1 101 101 GLY N N 15 . 1 1 101 101 GLY H H 1 0.478 0.015 . . . . . . . . . . 50233 2 66 . 1 1 102 102 SER N N 15 . 1 1 102 102 SER H H 1 0.398 0.015 . . . . . . . . . . 50233 2 67 . 1 1 104 104 LEU N N 15 . 1 1 104 104 LEU H H 1 0.237 0.015 . . . . . . . . . . 50233 2 68 . 1 1 107 107 ALA N N 15 . 1 1 107 107 ALA H H 1 -0.219 0.015 . . . . . . . . . . 50233 2 69 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 -0.714 0.015 . . . . . . . . . . 50233 2 stop_ save_