############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_750_TRP_NE1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_750_TRP_NE1 _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 750 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . 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 32 32 TRP HE1 H 1 . 1 1 32 32 TRP NE1 N 15 0.840 0.050 . . . . . . . . . . 4267 1 2 . 1 1 80 80 TRP HE1 H 1 . 1 1 80 80 TRP NE1 N 15 0.657 0.050 . . . . . . . . . . 4267 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_750_ARG_NE _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_750_ARG_NE _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 750 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . 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 1 110 110 ARG HE H 1 . 1 1 110 110 ARG NE N 15 0.657 0.106 . . . . . . . . . . 4267 2 2 . 1 1 155 155 ARG HE H 1 . 1 1 155 155 ARG NE N 15 -0.712 0.077 . . . . . . . . . . 4267 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_750_other _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_750_other _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 750 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 750 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . 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 ASP H H 1 . 1 1 3 3 ASP N N 15 -0.256 0.050 . . . . . . . . . . 4267 3 2 . 1 1 4 4 SER H H 1 . 1 1 4 4 SER N N 15 0.024 0.050 . . . . . . . . . . 4267 3 3 . 1 1 5 5 THR H H 1 . 1 1 5 5 THR N N 15 0.268 0.050 . . . . . . . . . . 4267 3 4 . 1 1 6 6 SER H H 1 . 1 1 6 6 SER N N 15 0.290 0.050 . . . . . . . . . . 4267 3 5 . 1 1 7 7 ASP H H 1 . 1 1 7 7 ASP N N 15 0.410 0.050 . . . . . . . . . . 4267 3 6 . 1 1 8 8 LEU H H 1 . 1 1 8 8 LEU N N 15 0.437 0.050 . . . . . . . . . . 4267 3 7 . 1 1 9 9 ILE H H 1 . 1 1 9 9 ILE N N 15 0.719 0.050 . . . . . . . . . . 4267 3 8 . 1 1 11 11 ALA H H 1 . 1 1 11 11 ALA N N 15 0.788 0.050 . . . . . . . . . . 4267 3 9 . 1 1 14 14 LEU H H 1 . 1 1 14 14 LEU N N 15 0.778 0.050 . . . . . . . . . . 4267 3 10 . 1 1 15 15 SER H H 1 . 1 1 15 15 SER N N 15 0.840 0.050 . . . . . . . . . . 4267 3 11 . 1 1 16 16 LYS H H 1 . 1 1 16 16 LYS N N 15 0.840 0.050 . . . . . . . . . . 4267 3 12 . 1 1 17 17 VAL H H 1 . 1 1 17 17 VAL N N 15 0.817 0.050 . . . . . . . . . . 4267 3 13 . 1 1 19 19 LEU H H 1 . 1 1 19 19 LEU N N 15 0.817 0.050 . . . . . . . . . . 4267 3 14 . 1 1 20 20 GLN H H 1 . 1 1 20 20 GLN N N 15 0.837 0.050 . . . . . . . . . . 4267 3 15 . 1 1 21 21 GLN H H 1 . 1 1 21 21 GLN N N 15 0.804 0.050 . . . . . . . . . . 4267 3 16 . 1 1 22 22 ASN H H 1 . 1 1 22 22 ASN N N 15 0.816 0.050 . . . . . . . . . . 4267 3 17 . 1 1 23 23 PHE H H 1 . 1 1 23 23 PHE N N 15 0.813 0.050 . . . . . . . . . . 4267 3 18 . 1 1 24 24 GLN H H 1 . 1 1 24 24 GLN N N 15 0.860 0.050 . . . . . . . . . . 4267 3 19 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.845 0.050 . . . . . . . . . . 4267 3 20 . 1 1 26 26 ASN H H 1 . 1 1 26 26 ASN N N 15 0.859 0.050 . . . . . . . . . . 4267 3 21 . 1 1 27 27 GLN H H 1 . 1 1 27 27 GLN N N 15 0.821 0.050 . . . . . . . . . . 4267 3 22 . 1 1 28 28 PHE H H 1 . 1 1 28 28 PHE N N 15 0.861 0.050 . . . . . . . . . . 4267 3 23 . 1 1 29 29 GLN H H 1 . 1 1 29 29 GLN N N 15 0.839 0.050 . . . . . . . . . . 4267 3 24 . 1 1 30 30 GLY H H 1 . 1 1 30 30 GLY N N 15 0.876 0.050 . . . . . . . . . . 4267 3 25 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.830 0.050 . . . . . . . . . . 4267 3 26 . 1 1 32 32 TRP H H 1 . 1 1 32 32 TRP N N 15 0.844 0.050 . . . . . . . . . . 4267 3 27 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.868 0.050 . . . . . . . . . . 4267 3 28 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.808 0.050 . . . . . . . . . . 4267 3 29 . 1 1 35 35 VAL H H 1 . 1 1 35 35 VAL N N 15 0.866 0.059 . . . . . . . . . . 4267 3 30 . 1 1 36 36 GLY H H 1 . 1 1 36 36 GLY N N 15 0.855 0.050 . . . . . . . . . . 4267 3 31 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.824 0.050 . . . . . . . . . . 4267 3 32 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.863 0.050 . . . . . . . . . . 4267 3 33 . 1 1 39 39 GLY H H 1 . 1 1 39 39 GLY N N 15 0.852 0.050 . . . . . . . . . . 4267 3 34 . 1 1 40 40 ASN H H 1 . 1 1 40 40 ASN N N 15 0.864 0.050 . . . . . . . . . . 4267 3 35 . 1 1 41 41 ALA H H 1 . 1 1 41 41 ALA N N 15 0.861 0.050 . . . . . . . . . . 4267 3 36 . 1 1 42 42 ILE H H 1 . 1 1 42 42 ILE N N 15 0.775 0.050 . . . . . . . . . . 4267 3 37 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.828 0.050 . . . . . . . . . . 4267 3 38 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.492 0.064 . . . . . . . . . . 4267 3 39 . 1 1 48 48 ASP H H 1 . 1 1 48 48 ASP N N 15 0.462 0.054 . . . . . . . . . . 4267 3 40 . 1 1 52 52 MET H H 1 . 1 1 52 52 MET N N 15 0.849 0.086 . . . . . . . . . . 4267 3 41 . 1 1 53 53 TYR H H 1 . 1 1 53 53 TYR N N 15 0.845 0.087 . . . . . . . . . . 4267 3 42 . 1 1 54 54 ALA H H 1 . 1 1 54 54 ALA N N 15 0.809 0.050 . . . . . . . . . . 4267 3 43 . 1 1 55 55 THR H H 1 . 1 1 55 55 THR N N 15 0.849 0.050 . . . . . . . . . . 4267 3 44 . 1 1 56 56 ILE H H 1 . 1 1 56 56 ILE N N 15 0.870 0.055 . . . . . . . . . . 4267 3 45 . 1 1 57 57 TYR H H 1 . 1 1 57 57 TYR N N 15 0.875 0.050 . . . . . . . . . . 4267 3 46 . 1 1 58 58 GLU H H 1 . 1 1 58 58 GLU N N 15 0.823 0.050 . . . . . . . . . . 4267 3 47 . 1 1 60 60 LYS H H 1 . 1 1 60 60 LYS N N 15 0.828 0.050 . . . . . . . . . . 4267 3 48 . 1 1 61 61 GLU H H 1 . 1 1 61 61 GLU N N 15 0.799 0.050 . . . . . . . . . . 4267 3 49 . 1 1 62 62 ASP H H 1 . 1 1 62 62 ASP N N 15 0.800 0.050 . . . . . . . . . . 4267 3 50 . 1 1 63 63 LYS H H 1 . 1 1 63 63 LYS N N 15 0.821 0.050 . . . . . . . . . . 4267 3 51 . 1 1 64 64 SER H H 1 . 1 1 64 64 SER N N 15 0.812 0.050 . . . . . . . . . . 4267 3 52 . 1 1 65 65 TYR H H 1 . 1 1 65 65 TYR N N 15 0.843 0.050 . . . . . . . . . . 4267 3 53 . 1 1 66 66 ASN H H 1 . 1 1 66 66 ASN N N 15 0.844 0.050 . . . . . . . . . . 4267 3 54 . 1 1 67 67 VAL H H 1 . 1 1 67 67 VAL N N 15 0.814 0.050 . . . . . . . . . . 4267 3 55 . 1 1 68 68 THR H H 1 . 1 1 68 68 THR N N 15 0.889 0.050 . . . . . . . . . . 4267 3 56 . 1 1 69 69 SER H H 1 . 1 1 69 69 SER N N 15 0.783 0.052 . . . . . . . . . . 4267 3 57 . 1 1 71 71 LEU H H 1 . 1 1 71 71 LEU N N 15 0.811 0.050 . . . . . . . . . . 4267 3 58 . 1 1 74 74 LYS H H 1 . 1 1 74 74 LYS N N 15 0.762 0.060 . . . . . . . . . . 4267 3 59 . 1 1 75 75 LYS H H 1 . 1 1 75 75 LYS N N 15 0.707 0.050 . . . . . . . . . . 4267 3 60 . 1 1 76 76 LYS H H 1 . 1 1 76 76 LYS N N 15 0.702 0.050 . . . . . . . . . . 4267 3 61 . 1 1 77 77 CYS H H 1 . 1 1 77 77 CYS N N 15 0.692 0.050 . . . . . . . . . . 4267 3 62 . 1 1 78 78 ASP H H 1 . 1 1 78 78 ASP N N 15 0.777 0.050 . . . . . . . . . . 4267 3 63 . 1 1 79 79 TYR H H 1 . 1 1 79 79 TYR N N 15 0.815 0.050 . . . . . . . . . . 4267 3 64 . 1 1 80 80 TRP H H 1 . 1 1 80 80 TRP N N 15 0.822 0.050 . . . . . . . . . . 4267 3 65 . 1 1 82 82 ARG H H 1 . 1 1 82 82 ARG N N 15 0.807 0.050 . . . . . . . . . . 4267 3 66 . 1 1 83 83 THR H H 1 . 1 1 83 83 THR N N 15 0.813 0.050 . . . . . . . . . . 4267 3 67 . 1 1 84 84 PHE H H 1 . 1 1 84 84 PHE N N 15 0.858 0.050 . . . . . . . . . . 4267 3 68 . 1 1 87 87 GLY H H 1 . 1 1 87 87 GLY N N 15 0.806 0.050 . . . . . . . . . . 4267 3 69 . 1 1 88 88 CYS H H 1 . 1 1 88 88 CYS N N 15 0.826 0.050 . . . . . . . . . . 4267 3 70 . 1 1 89 89 GLN H H 1 . 1 1 89 89 GLN N N 15 0.613 0.050 . . . . . . . . . . 4267 3 71 . 1 1 92 92 GLU H H 1 . 1 1 92 92 GLU N N 15 0.829 0.050 . . . . . . . . . . 4267 3 72 . 1 1 93 93 PHE H H 1 . 1 1 93 93 PHE N N 15 0.829 0.050 . . . . . . . . . . 4267 3 73 . 1 1 94 94 THR H H 1 . 1 1 94 94 THR N N 15 0.824 0.050 . . . . . . . . . . 4267 3 74 . 1 1 95 95 LEU H H 1 . 1 1 95 95 LEU N N 15 0.773 0.050 . . . . . . . . . . 4267 3 75 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.823 0.050 . . . . . . . . . . 4267 3 76 . 1 1 97 97 ASN H H 1 . 1 1 97 97 ASN N N 15 0.813 0.050 . . . . . . . . . . 4267 3 77 . 1 1 98 98 ILE H H 1 . 1 1 98 98 ILE N N 15 0.833 0.050 . . . . . . . . . . 4267 3 78 . 1 1 99 99 LYS H H 1 . 1 1 99 99 LYS N N 15 0.799 0.050 . . . . . . . . . . 4267 3 79 . 1 1 100 100 SER H H 1 . 1 1 100 100 SER N N 15 0.786 0.050 . . . . . . . . . . 4267 3 80 . 1 1 101 101 TYR H H 1 . 1 1 101 101 TYR N N 15 0.787 0.050 . . . . . . . . . . 4267 3 81 . 1 1 103 103 GLY H H 1 . 1 1 103 103 GLY N N 15 0.725 0.050 . . . . . . . . . . 4267 3 82 . 1 1 104 104 LEU H H 1 . 1 1 104 104 LEU N N 15 0.800 0.050 . . . . . . . . . . 4267 3 83 . 1 1 105 105 THR H H 1 . 1 1 105 105 THR N N 15 0.751 0.050 . . . . . . . . . . 4267 3 84 . 1 1 106 106 SER H H 1 . 1 1 106 106 SER N N 15 0.795 0.050 . . . . . . . . . . 4267 3 85 . 1 1 107 107 TYR H H 1 . 1 1 107 107 TYR N N 15 0.860 0.050 . . . . . . . . . . 4267 3 86 . 1 1 108 108 LEU H H 1 . 1 1 108 108 LEU N N 15 0.852 0.050 . . . . . . . . . . 4267 3 87 . 1 1 109 109 VAL H H 1 . 1 1 109 109 VAL N N 15 0.851 0.050 . . . . . . . . . . 4267 3 88 . 1 1 110 110 ARG H H 1 . 1 1 110 110 ARG N N 15 0.876 0.050 . . . . . . . . . . 4267 3 89 . 1 1 112 112 VAL H H 1 . 1 1 112 112 VAL N N 15 0.868 0.050 . . . . . . . . . . 4267 3 90 . 1 1 113 113 SER H H 1 . 1 1 113 113 SER N N 15 0.858 0.050 . . . . . . . . . . 4267 3 91 . 1 1 114 114 THR H H 1 . 1 1 114 114 THR N N 15 0.840 0.050 . . . . . . . . . . 4267 3 92 . 1 1 115 115 ASN H H 1 . 1 1 115 115 ASN N N 15 0.861 0.050 . . . . . . . . . . 4267 3 93 . 1 1 116 116 TYR H H 1 . 1 1 116 116 TYR N N 15 0.916 0.051 . . . . . . . . . . 4267 3 94 . 1 1 117 117 ASN H H 1 . 1 1 117 117 ASN N N 15 0.889 0.050 . . . . . . . . . . 4267 3 95 . 1 1 118 118 GLN H H 1 . 1 1 118 118 GLN N N 15 0.876 0.050 . . . . . . . . . . 4267 3 96 . 1 1 119 119 HIS H H 1 . 1 1 119 119 HIS N N 15 0.840 0.050 . . . . . . . . . . 4267 3 97 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.879 0.050 . . . . . . . . . . 4267 3 98 . 1 1 122 122 VAL H H 1 . 1 1 122 122 VAL N N 15 0.914 0.050 . . . . . . . . . . 4267 3 99 . 1 1 123 123 PHE H H 1 . 1 1 123 123 PHE N N 15 0.887 0.050 . . . . . . . . . . 4267 3 100 . 1 1 124 124 PHE H H 1 . 1 1 124 124 PHE N N 15 0.873 0.050 . . . . . . . . . . 4267 3 101 . 1 1 125 125 LYS H H 1 . 1 1 125 125 LYS N N 15 0.830 0.050 . . . . . . . . . . 4267 3 102 . 1 1 127 127 VAL H H 1 . 1 1 127 127 VAL N N 15 0.879 0.050 . . . . . . . . . . 4267 3 103 . 1 1 128 128 SER H H 1 . 1 1 128 128 SER N N 15 0.812 0.050 . . . . . . . . . . 4267 3 104 . 1 1 129 129 GLN H H 1 . 1 1 129 129 GLN N N 15 0.749 0.050 . . . . . . . . . . 4267 3 105 . 1 1 130 130 ASN H H 1 . 1 1 130 130 ASN N N 15 0.756 0.050 . . . . . . . . . . 4267 3 106 . 1 1 131 131 ARG H H 1 . 1 1 131 131 ARG N N 15 0.755 0.050 . . . . . . . . . . 4267 3 107 . 1 1 132 132 GLU H H 1 . 1 1 132 132 GLU N N 15 0.759 0.050 . . . . . . . . . . 4267 3 108 . 1 1 133 133 TYR H H 1 . 1 1 133 133 TYR N N 15 0.781 0.050 . . . . . . . . . . 4267 3 109 . 1 1 134 134 PHE H H 1 . 1 1 134 134 PHE N N 15 0.806 0.050 . . . . . . . . . . 4267 3 110 . 1 1 135 135 LYS H H 1 . 1 1 135 135 LYS N N 15 0.846 0.050 . . . . . . . . . . 4267 3 111 . 1 1 136 136 ILE H H 1 . 1 1 136 136 ILE N N 15 0.840 0.050 . . . . . . . . . . 4267 3 112 . 1 1 137 137 THR H H 1 . 1 1 137 137 THR N N 15 0.852 0.050 . . . . . . . . . . 4267 3 113 . 1 1 138 138 LEU H H 1 . 1 1 138 138 LEU N N 15 0.850 0.050 . . . . . . . . . . 4267 3 114 . 1 1 139 139 TYR H H 1 . 1 1 139 139 TYR N N 15 0.870 0.050 . . . . . . . . . . 4267 3 115 . 1 1 140 140 GLY H H 1 . 1 1 140 140 GLY N N 15 0.854 0.050 . . . . . . . . . . 4267 3 116 . 1 1 141 141 ARG H H 1 . 1 1 141 141 ARG N N 15 0.824 0.050 . . . . . . . . . . 4267 3 117 . 1 1 142 142 THR H H 1 . 1 1 142 142 THR N N 15 0.847 0.050 . . . . . . . . . . 4267 3 118 . 1 1 143 143 LYS H H 1 . 1 1 143 143 LYS N N 15 0.865 0.050 . . . . . . . . . . 4267 3 119 . 1 1 144 144 GLU H H 1 . 1 1 144 144 GLU N N 15 0.726 0.050 . . . . . . . . . . 4267 3 120 . 1 1 145 145 LEU H H 1 . 1 1 145 145 LEU N N 15 0.665 0.050 . . . . . . . . . . 4267 3 121 . 1 1 146 146 THR H H 1 . 1 1 146 146 THR N N 15 0.712 0.050 . . . . . . . . . . 4267 3 122 . 1 1 147 147 SER H H 1 . 1 1 147 147 SER N N 15 0.832 0.050 . . . . . . . . . . 4267 3 123 . 1 1 148 148 GLU H H 1 . 1 1 148 148 GLU N N 15 0.829 0.050 . . . . . . . . . . 4267 3 124 . 1 1 150 150 LYS H H 1 . 1 1 150 150 LYS N N 15 0.756 0.050 . . . . . . . . . . 4267 3 125 . 1 1 151 151 GLU H H 1 . 1 1 151 151 GLU N N 15 0.843 0.050 . . . . . . . . . . 4267 3 126 . 1 1 152 152 ASN H H 1 . 1 1 152 152 ASN N N 15 0.872 0.050 . . . . . . . . . . 4267 3 127 . 1 1 153 153 PHE H H 1 . 1 1 153 153 PHE N N 15 0.822 0.050 . . . . . . . . . . 4267 3 128 . 1 1 154 154 ILE H H 1 . 1 1 154 154 ILE N N 15 0.830 0.050 . . . . . . . . . . 4267 3 129 . 1 1 155 155 ARG H H 1 . 1 1 155 155 ARG N N 15 0.861 0.050 . . . . . . . . . . 4267 3 130 . 1 1 156 156 PHE H H 1 . 1 1 156 156 PHE N N 15 0.874 0.050 . . . . . . . . . . 4267 3 131 . 1 1 157 157 SER H H 1 . 1 1 157 157 SER N N 15 0.779 0.050 . . . . . . . . . . 4267 3 132 . 1 1 158 158 LYS H H 1 . 1 1 158 158 LYS N N 15 0.831 0.050 . . . . . . . . . . 4267 3 133 . 1 1 159 159 SER H H 1 . 1 1 159 159 SER N N 15 0.890 0.050 . . . . . . . . . . 4267 3 134 . 1 1 160 160 LEU H H 1 . 1 1 160 160 LEU N N 15 0.837 0.050 . . . . . . . . . . 4267 3 135 . 1 1 161 161 GLY H H 1 . 1 1 161 161 GLY N N 15 0.828 0.050 . . . . . . . . . . 4267 3 136 . 1 1 162 162 LEU H H 1 . 1 1 162 162 LEU N N 15 0.842 0.050 . . . . . . . . . . 4267 3 137 . 1 1 165 165 ASN H H 1 . 1 1 165 165 ASN N N 15 0.801 0.050 . . . . . . . . . . 4267 3 138 . 1 1 167 167 ILE H H 1 . 1 1 167 167 ILE N N 15 0.844 0.050 . . . . . . . . . . 4267 3 139 . 1 1 168 168 VAL H H 1 . 1 1 168 168 VAL N N 15 0.805 0.050 . . . . . . . . . . 4267 3 140 . 1 1 169 169 PHE H H 1 . 1 1 169 169 PHE N N 15 0.836 0.050 . . . . . . . . . . 4267 3 141 . 1 1 171 171 VAL H H 1 . 1 1 171 171 VAL N N 15 0.829 0.050 . . . . . . . . . . 4267 3 142 . 1 1 173 173 ILE H H 1 . 1 1 173 173 ILE N N 15 0.847 0.155 . . . . . . . . . . 4267 3 143 . 1 1 175 175 GLN H H 1 . 1 1 175 175 GLN N N 15 0.558 0.050 . . . . . . . . . . 4267 3 144 . 1 1 176 176 CYS H H 1 . 1 1 176 176 CYS N N 15 0.830 0.060 . . . . . . . . . . 4267 3 145 . 1 1 178 178 ASP H H 1 . 1 1 178 178 ASP N N 15 0.707 0.050 . . . . . . . . . . 4267 3 146 . 1 1 179 179 GLY H H 1 . 1 1 179 179 GLY N N 15 0.234 0.050 . . . . . . . . . . 4267 3 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600_TRP_NE1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_TRP_NE1 _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 4 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . 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 32 32 TRP HE1 H 1 . 1 1 32 32 TRP NE1 N 15 0.868 0.050 . . . . . . . . . . 4267 4 2 . 1 1 80 80 TRP HE1 H 1 . 1 1 80 80 TRP NE1 N 15 0.645 0.050 . . . . . . . . . . 4267 4 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600_ARG_NE _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600_ARG_NE _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 5 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . 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 1 110 110 ARG HE H 1 . 1 1 110 110 ARG NE N 15 0.572 0.111 . . . . . . . . . . 4267 5 2 . 1 1 141 141 ARG HE H 1 . 1 1 141 141 ARG NE N 15 0.634 0.065 . . . . . . . . . . 4267 5 3 . 1 1 155 155 ARG HE H 1 . 1 1 155 155 ARG NE N 15 -1.115 0.094 . . . . . . . . . . 4267 5 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600 _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 6 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . 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 ASP H H 1 . 1 1 3 3 ASP N N 15 -0.952 0.050 . . . . . . . . . . 4267 6 2 . 1 1 4 4 SER H H 1 . 1 1 4 4 SER N N 15 -0.086 0.050 . . . . . . . . . . 4267 6 3 . 1 1 5 5 THR H H 1 . 1 1 5 5 THR N N 15 0.176 0.050 . . . . . . . . . . 4267 6 4 . 1 1 6 6 SER H H 1 . 1 1 6 6 SER N N 15 -0.115 0.050 . . . . . . . . . . 4267 6 5 . 1 1 7 7 ASP H H 1 . 1 1 7 7 ASP N N 15 0.062 0.050 . . . . . . . . . . 4267 6 6 . 1 1 8 8 LEU H H 1 . 1 1 8 8 LEU N N 15 0.493 0.050 . . . . . . . . . . 4267 6 7 . 1 1 9 9 ILE H H 1 . 1 1 9 9 ILE N N 15 0.706 0.050 . . . . . . . . . . 4267 6 8 . 1 1 11 11 ALA H H 1 . 1 1 11 11 ALA N N 15 0.839 0.050 . . . . . . . . . . 4267 6 9 . 1 1 14 14 LEU H H 1 . 1 1 14 14 LEU N N 15 0.777 0.050 . . . . . . . . . . 4267 6 10 . 1 1 15 15 SER H H 1 . 1 1 15 15 SER N N 15 0.790 0.050 . . . . . . . . . . 4267 6 11 . 1 1 16 16 LYS H H 1 . 1 1 16 16 LYS N N 15 0.702 0.050 . . . . . . . . . . 4267 6 12 . 1 1 17 17 VAL H H 1 . 1 1 17 17 VAL N N 15 0.812 0.050 . . . . . . . . . . 4267 6 13 . 1 1 19 19 LEU H H 1 . 1 1 19 19 LEU N N 15 0.784 0.050 . . . . . . . . . . 4267 6 14 . 1 1 20 20 GLN H H 1 . 1 1 20 20 GLN N N 15 0.752 0.050 . . . . . . . . . . 4267 6 15 . 1 1 21 21 GLN H H 1 . 1 1 21 21 GLN N N 15 0.737 0.050 . . . . . . . . . . 4267 6 16 . 1 1 22 22 ASN H H 1 . 1 1 22 22 ASN N N 15 0.725 0.050 . . . . . . . . . . 4267 6 17 . 1 1 23 23 PHE H H 1 . 1 1 23 23 PHE N N 15 0.831 0.050 . . . . . . . . . . 4267 6 18 . 1 1 24 24 GLN H H 1 . 1 1 24 24 GLN N N 15 0.724 0.054 . . . . . . . . . . 4267 6 19 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.837 0.050 . . . . . . . . . . 4267 6 20 . 1 1 26 26 ASN H H 1 . 1 1 26 26 ASN N N 15 0.807 0.050 . . . . . . . . . . 4267 6 21 . 1 1 27 27 GLN H H 1 . 1 1 27 27 GLN N N 15 0.763 0.050 . . . . . . . . . . 4267 6 22 . 1 1 28 28 PHE H H 1 . 1 1 28 28 PHE N N 15 0.858 0.050 . . . . . . . . . . 4267 6 23 . 1 1 29 29 GLN H H 1 . 1 1 29 29 GLN N N 15 0.784 0.050 . . . . . . . . . . 4267 6 24 . 1 1 30 30 GLY H H 1 . 1 1 30 30 GLY N N 15 0.778 0.052 . . . . . . . . . . 4267 6 25 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.743 0.050 . . . . . . . . . . 4267 6 26 . 1 1 32 32 TRP H H 1 . 1 1 32 32 TRP N N 15 0.824 0.054 . . . . . . . . . . 4267 6 27 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.842 0.051 . . . . . . . . . . 4267 6 28 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.864 0.065 . . . . . . . . . . 4267 6 29 . 1 1 35 35 VAL H H 1 . 1 1 35 35 VAL N N 15 0.869 0.093 . . . . . . . . . . 4267 6 30 . 1 1 36 36 GLY H H 1 . 1 1 36 36 GLY N N 15 0.807 0.055 . . . . . . . . . . 4267 6 31 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.791 0.050 . . . . . . . . . . 4267 6 32 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.916 0.050 . . . . . . . . . . 4267 6 33 . 1 1 39 39 GLY H H 1 . 1 1 39 39 GLY N N 15 0.769 0.050 . . . . . . . . . . 4267 6 34 . 1 1 40 40 ASN H H 1 . 1 1 40 40 ASN N N 15 0.832 0.050 . . . . . . . . . . 4267 6 35 . 1 1 41 41 ALA H H 1 . 1 1 41 41 ALA N N 15 0.849 0.054 . . . . . . . . . . 4267 6 36 . 1 1 42 42 ILE H H 1 . 1 1 42 42 ILE N N 15 0.808 0.052 . . . . . . . . . . 4267 6 37 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.649 0.050 . . . . . . . . . . 4267 6 38 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.537 0.070 . . . . . . . . . . 4267 6 39 . 1 1 48 48 ASP H H 1 . 1 1 48 48 ASP N N 15 0.407 0.057 . . . . . . . . . . 4267 6 40 . 1 1 52 52 MET H H 1 . 1 1 52 52 MET N N 15 0.879 0.107 . . . . . . . . . . 4267 6 41 . 1 1 53 53 TYR H H 1 . 1 1 53 53 TYR N N 15 0.849 0.139 . . . . . . . . . . 4267 6 42 . 1 1 54 54 ALA H H 1 . 1 1 54 54 ALA N N 15 0.807 0.058 . . . . . . . . . . 4267 6 43 . 1 1 55 55 THR H H 1 . 1 1 55 55 THR N N 15 0.803 0.050 . . . . . . . . . . 4267 6 44 . 1 1 56 56 ILE H H 1 . 1 1 56 56 ILE N N 15 0.788 0.076 . . . . . . . . . . 4267 6 45 . 1 1 57 57 TYR H H 1 . 1 1 57 57 TYR N N 15 0.901 0.058 . . . . . . . . . . 4267 6 46 . 1 1 58 58 GLU H H 1 . 1 1 58 58 GLU N N 15 0.861 0.050 . . . . . . . . . . 4267 6 47 . 1 1 60 60 LYS H H 1 . 1 1 60 60 LYS N N 15 0.839 0.050 . . . . . . . . . . 4267 6 48 . 1 1 61 61 GLU H H 1 . 1 1 61 61 GLU N N 15 0.822 0.050 . . . . . . . . . . 4267 6 49 . 1 1 62 62 ASP H H 1 . 1 1 62 62 ASP N N 15 0.775 0.050 . . . . . . . . . . 4267 6 50 . 1 1 63 63 LYS H H 1 . 1 1 63 63 LYS N N 15 0.778 0.050 . . . . . . . . . . 4267 6 51 . 1 1 64 64 SER H H 1 . 1 1 64 64 SER N N 15 0.757 0.050 . . . . . . . . . . 4267 6 52 . 1 1 65 65 TYR H H 1 . 1 1 65 65 TYR N N 15 0.790 0.050 . . . . . . . . . . 4267 6 53 . 1 1 66 66 ASN H H 1 . 1 1 66 66 ASN N N 15 0.880 0.050 . . . . . . . . . . 4267 6 54 . 1 1 67 67 VAL H H 1 . 1 1 67 67 VAL N N 15 0.851 0.050 . . . . . . . . . . 4267 6 55 . 1 1 68 68 THR H H 1 . 1 1 68 68 THR N N 15 0.951 0.066 . . . . . . . . . . 4267 6 56 . 1 1 69 69 SER H H 1 . 1 1 69 69 SER N N 15 0.930 0.084 . . . . . . . . . . 4267 6 57 . 1 1 71 71 LEU H H 1 . 1 1 71 71 LEU N N 15 0.818 0.062 . . . . . . . . . . 4267 6 58 . 1 1 73 73 ARG H H 1 . 1 1 73 73 ARG N N 15 0.724 0.050 . . . . . . . . . . 4267 6 59 . 1 1 74 74 LYS H H 1 . 1 1 74 74 LYS N N 15 0.658 0.063 . . . . . . . . . . 4267 6 60 . 1 1 75 75 LYS H H 1 . 1 1 75 75 LYS N N 15 0.607 0.050 . . . . . . . . . . 4267 6 61 . 1 1 76 76 LYS H H 1 . 1 1 76 76 LYS N N 15 0.617 0.050 . . . . . . . . . . 4267 6 62 . 1 1 77 77 CYS H H 1 . 1 1 77 77 CYS N N 15 0.758 0.050 . . . . . . . . . . 4267 6 63 . 1 1 78 78 ASP H H 1 . 1 1 78 78 ASP N N 15 0.774 0.054 . . . . . . . . . . 4267 6 64 . 1 1 79 79 TYR H H 1 . 1 1 79 79 TYR N N 15 0.767 0.050 . . . . . . . . . . 4267 6 65 . 1 1 80 80 TRP H H 1 . 1 1 80 80 TRP N N 15 0.852 0.056 . . . . . . . . . . 4267 6 66 . 1 1 82 82 ARG H H 1 . 1 1 82 82 ARG N N 15 0.832 0.069 . . . . . . . . . . 4267 6 67 . 1 1 83 83 THR H H 1 . 1 1 83 83 THR N N 15 0.762 0.050 . . . . . . . . . . 4267 6 68 . 1 1 84 84 PHE H H 1 . 1 1 84 84 PHE N N 15 0.805 0.054 . . . . . . . . . . 4267 6 69 . 1 1 87 87 GLY H H 1 . 1 1 87 87 GLY N N 15 0.740 0.066 . . . . . . . . . . 4267 6 70 . 1 1 88 88 CYS H H 1 . 1 1 88 88 CYS N N 15 0.772 0.050 . . . . . . . . . . 4267 6 71 . 1 1 89 89 GLN H H 1 . 1 1 89 89 GLN N N 15 0.635 0.050 . . . . . . . . . . 4267 6 72 . 1 1 92 92 GLU H H 1 . 1 1 92 92 GLU N N 15 0.759 0.050 . . . . . . . . . . 4267 6 73 . 1 1 93 93 PHE H H 1 . 1 1 93 93 PHE N N 15 0.676 0.050 . . . . . . . . . . 4267 6 74 . 1 1 94 94 THR H H 1 . 1 1 94 94 THR N N 15 0.750 0.050 . . . . . . . . . . 4267 6 75 . 1 1 95 95 LEU H H 1 . 1 1 95 95 LEU N N 15 0.869 0.057 . . . . . . . . . . 4267 6 76 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.833 0.078 . . . . . . . . . . 4267 6 77 . 1 1 97 97 ASN H H 1 . 1 1 97 97 ASN N N 15 0.756 0.050 . . . . . . . . . . 4267 6 78 . 1 1 98 98 ILE H H 1 . 1 1 98 98 ILE N N 15 0.849 0.050 . . . . . . . . . . 4267 6 79 . 1 1 99 99 LYS H H 1 . 1 1 99 99 LYS N N 15 0.718 0.050 . . . . . . . . . . 4267 6 80 . 1 1 100 100 SER H H 1 . 1 1 100 100 SER N N 15 0.773 0.050 . . . . . . . . . . 4267 6 81 . 1 1 101 101 TYR H H 1 . 1 1 101 101 TYR N N 15 0.699 0.050 . . . . . . . . . . 4267 6 82 . 1 1 103 103 GLY H H 1 . 1 1 103 103 GLY N N 15 0.588 0.050 . . . . . . . . . . 4267 6 83 . 1 1 104 104 LEU H H 1 . 1 1 104 104 LEU N N 15 0.661 0.050 . . . . . . . . . . 4267 6 84 . 1 1 105 105 THR H H 1 . 1 1 105 105 THR N N 15 0.722 0.057 . . . . . . . . . . 4267 6 85 . 1 1 106 106 SER H H 1 . 1 1 106 106 SER N N 15 0.867 0.050 . . . . . . . . . . 4267 6 86 . 1 1 107 107 TYR H H 1 . 1 1 107 107 TYR N N 15 0.787 0.050 . . . . . . . . . . 4267 6 87 . 1 1 108 108 LEU H H 1 . 1 1 108 108 LEU N N 15 0.806 0.053 . . . . . . . . . . 4267 6 88 . 1 1 109 109 VAL H H 1 . 1 1 109 109 VAL N N 15 0.793 0.052 . . . . . . . . . . 4267 6 89 . 1 1 110 110 ARG H H 1 . 1 1 110 110 ARG N N 15 0.858 0.050 . . . . . . . . . . 4267 6 90 . 1 1 112 112 VAL H H 1 . 1 1 112 112 VAL N N 15 0.822 0.064 . . . . . . . . . . 4267 6 91 . 1 1 113 113 SER H H 1 . 1 1 113 113 SER N N 15 0.841 0.050 . . . . . . . . . . 4267 6 92 . 1 1 115 115 ASN H H 1 . 1 1 115 115 ASN N N 15 0.900 0.054 . . . . . . . . . . 4267 6 93 . 1 1 116 116 TYR H H 1 . 1 1 116 116 TYR N N 15 0.839 0.074 . . . . . . . . . . 4267 6 94 . 1 1 117 117 ASN H H 1 . 1 1 117 117 ASN N N 15 0.868 0.050 . . . . . . . . . . 4267 6 95 . 1 1 118 118 GLN H H 1 . 1 1 118 118 GLN N N 15 0.874 0.050 . . . . . . . . . . 4267 6 96 . 1 1 119 119 HIS H H 1 . 1 1 119 119 HIS N N 15 0.872 0.050 . . . . . . . . . . 4267 6 97 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.779 0.050 . . . . . . . . . . 4267 6 98 . 1 1 122 122 VAL H H 1 . 1 1 122 122 VAL N N 15 0.819 0.060 . . . . . . . . . . 4267 6 99 . 1 1 123 123 PHE H H 1 . 1 1 123 123 PHE N N 15 0.901 0.073 . . . . . . . . . . 4267 6 100 . 1 1 124 124 PHE H H 1 . 1 1 124 124 PHE N N 15 0.803 0.050 . . . . . . . . . . 4267 6 101 . 1 1 125 125 LYS H H 1 . 1 1 125 125 LYS N N 15 0.763 0.050 . . . . . . . . . . 4267 6 102 . 1 1 127 127 VAL H H 1 . 1 1 127 127 VAL N N 15 0.727 0.053 . . . . . . . . . . 4267 6 103 . 1 1 128 128 SER H H 1 . 1 1 128 128 SER N N 15 0.709 0.050 . . . . . . . . . . 4267 6 104 . 1 1 129 129 GLN H H 1 . 1 1 129 129 GLN N N 15 0.759 0.050 . . . . . . . . . . 4267 6 105 . 1 1 130 130 ASN H H 1 . 1 1 130 130 ASN N N 15 0.732 0.050 . . . . . . . . . . 4267 6 106 . 1 1 131 131 ARG H H 1 . 1 1 131 131 ARG N N 15 0.631 0.050 . . . . . . . . . . 4267 6 107 . 1 1 132 132 GLU H H 1 . 1 1 132 132 GLU N N 15 0.798 0.050 . . . . . . . . . . 4267 6 108 . 1 1 133 133 TYR H H 1 . 1 1 133 133 TYR N N 15 0.811 0.058 . . . . . . . . . . 4267 6 109 . 1 1 134 134 PHE H H 1 . 1 1 134 134 PHE N N 15 0.726 0.050 . . . . . . . . . . 4267 6 110 . 1 1 135 135 LYS H H 1 . 1 1 135 135 LYS N N 15 0.716 0.050 . . . . . . . . . . 4267 6 111 . 1 1 136 136 ILE H H 1 . 1 1 136 136 ILE N N 15 0.725 0.051 . . . . . . . . . . 4267 6 112 . 1 1 137 137 THR H H 1 . 1 1 137 137 THR N N 15 0.729 0.065 . . . . . . . . . . 4267 6 113 . 1 1 138 138 LEU H H 1 . 1 1 138 138 LEU N N 15 0.831 0.053 . . . . . . . . . . 4267 6 114 . 1 1 139 139 TYR H H 1 . 1 1 139 139 TYR N N 15 0.823 0.053 . . . . . . . . . . 4267 6 115 . 1 1 140 140 GLY H H 1 . 1 1 140 140 GLY N N 15 0.835 0.059 . . . . . . . . . . 4267 6 116 . 1 1 141 141 ARG H H 1 . 1 1 141 141 ARG N N 15 0.776 0.052 . . . . . . . . . . 4267 6 117 . 1 1 142 142 THR H H 1 . 1 1 142 142 THR N N 15 0.758 0.050 . . . . . . . . . . 4267 6 118 . 1 1 143 143 LYS H H 1 . 1 1 143 143 LYS N N 15 0.861 0.055 . . . . . . . . . . 4267 6 119 . 1 1 144 144 GLU H H 1 . 1 1 144 144 GLU N N 15 0.688 0.050 . . . . . . . . . . 4267 6 120 . 1 1 145 145 LEU H H 1 . 1 1 145 145 LEU N N 15 0.600 0.100 . . . . . . . . . . 4267 6 121 . 1 1 146 146 THR H H 1 . 1 1 146 146 THR N N 15 0.721 0.050 . . . . . . . . . . 4267 6 122 . 1 1 147 147 SER H H 1 . 1 1 147 147 SER N N 15 0.791 0.050 . . . . . . . . . . 4267 6 123 . 1 1 148 148 GLU H H 1 . 1 1 148 148 GLU N N 15 0.939 0.050 . . . . . . . . . . 4267 6 124 . 1 1 150 150 LYS H H 1 . 1 1 150 150 LYS N N 15 0.786 0.050 . . . . . . . . . . 4267 6 125 . 1 1 151 151 GLU H H 1 . 1 1 151 151 GLU N N 15 0.881 0.050 . . . . . . . . . . 4267 6 126 . 1 1 152 152 ASN H H 1 . 1 1 152 152 ASN N N 15 0.782 0.050 . . . . . . . . . . 4267 6 127 . 1 1 153 153 PHE H H 1 . 1 1 153 153 PHE N N 15 0.881 0.050 . . . . . . . . . . 4267 6 128 . 1 1 154 154 ILE H H 1 . 1 1 154 154 ILE N N 15 0.867 0.050 . . . . . . . . . . 4267 6 129 . 1 1 155 155 ARG H H 1 . 1 1 155 155 ARG N N 15 0.910 0.050 . . . . . . . . . . 4267 6 130 . 1 1 156 156 PHE H H 1 . 1 1 156 156 PHE N N 15 0.764 0.050 . . . . . . . . . . 4267 6 131 . 1 1 157 157 SER H H 1 . 1 1 157 157 SER N N 15 0.820 0.050 . . . . . . . . . . 4267 6 132 . 1 1 158 158 LYS H H 1 . 1 1 158 158 LYS N N 15 0.783 0.050 . . . . . . . . . . 4267 6 133 . 1 1 159 159 SER H H 1 . 1 1 159 159 SER N N 15 0.893 0.050 . . . . . . . . . . 4267 6 134 . 1 1 160 160 LEU H H 1 . 1 1 160 160 LEU N N 15 0.821 0.050 . . . . . . . . . . 4267 6 135 . 1 1 161 161 GLY H H 1 . 1 1 161 161 GLY N N 15 0.904 0.050 . . . . . . . . . . 4267 6 136 . 1 1 162 162 LEU H H 1 . 1 1 162 162 LEU N N 15 0.833 0.050 . . . . . . . . . . 4267 6 137 . 1 1 165 165 ASN H H 1 . 1 1 165 165 ASN N N 15 0.776 0.050 . . . . . . . . . . 4267 6 138 . 1 1 167 167 ILE H H 1 . 1 1 167 167 ILE N N 15 0.846 0.050 . . . . . . . . . . 4267 6 139 . 1 1 168 168 VAL H H 1 . 1 1 168 168 VAL N N 15 0.747 0.050 . . . . . . . . . . 4267 6 140 . 1 1 169 169 PHE H H 1 . 1 1 169 169 PHE N N 15 0.702 0.050 . . . . . . . . . . 4267 6 141 . 1 1 171 171 VAL H H 1 . 1 1 171 171 VAL N N 15 0.737 0.050 . . . . . . . . . . 4267 6 142 . 1 1 173 173 ILE H H 1 . 1 1 173 173 ILE N N 15 0.992 0.221 . . . . . . . . . . 4267 6 143 . 1 1 175 175 GLN H H 1 . 1 1 175 175 GLN N N 15 0.617 0.061 . . . . . . . . . . 4267 6 144 . 1 1 176 176 CYS H H 1 . 1 1 176 176 CYS N N 15 0.871 0.084 . . . . . . . . . . 4267 6 145 . 1 1 178 178 ASP H H 1 . 1 1 178 178 ASP N N 15 0.682 0.050 . . . . . . . . . . 4267 6 146 . 1 1 179 179 GLY H H 1 . 1 1 179 179 GLY N N 15 -0.145 0.050 . . . . . . . . . . 4267 6 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_TRP_NE1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_TRP_NE1 _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 7 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . 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 32 32 TRP HE1 H 1 . 1 1 32 32 TRP NE1 N 15 0.841 0.050 . . . . . . . . . . 4267 7 2 . 1 1 80 80 TRP HE1 H 1 . 1 1 80 80 TRP NE1 N 15 0.576 0.050 . . . . . . . . . . 4267 7 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500_ARG_NE _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500_ARG_NE _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 8 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 600 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . 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 1 110 110 ARG HE H 1 . 1 1 110 110 ARG NE N 15 0.652 0.102 . . . . . . . . . . 4267 8 2 . 1 1 141 141 ARG HE H 1 . 1 1 141 141 ARG NE N 15 0.766 0.080 . . . . . . . . . . 4267 8 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_500 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_500 _Heteronucl_NOE_list.Entry_ID 4267 _Heteronucl_NOE_list.ID 9 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_all _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'internal reference' _Heteronucl_NOE_list.Details ; N15{1H} Heteronuclear steady-state NOE using 3s 1H presat. time. water flipback. Reference experiment (i.e. no presat.) interleaved with acquisition. 500 MHz. Minimum error assumed to be 0.05. ; _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . 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 SER H H 1 . 1 1 4 4 SER N N 15 -0.651 0.183 . . . . . . . . . . 4267 9 2 . 1 1 5 5 THR H H 1 . 1 1 5 5 THR N N 15 -0.354 0.087 . . . . . . . . . . 4267 9 3 . 1 1 6 6 SER H H 1 . 1 1 6 6 SER N N 15 -0.052 0.052 . . . . . . . . . . 4267 9 4 . 1 1 7 7 ASP H H 1 . 1 1 7 7 ASP N N 15 0.112 0.050 . . . . . . . . . . 4267 9 5 . 1 1 8 8 LEU H H 1 . 1 1 8 8 LEU N N 15 0.310 0.050 . . . . . . . . . . 4267 9 6 . 1 1 9 9 ILE H H 1 . 1 1 9 9 ILE N N 15 0.627 0.064 . . . . . . . . . . 4267 9 7 . 1 1 11 11 ALA H H 1 . 1 1 11 11 ALA N N 15 0.740 0.050 . . . . . . . . . . 4267 9 8 . 1 1 14 14 LEU H H 1 . 1 1 14 14 LEU N N 15 0.722 0.050 . . . . . . . . . . 4267 9 9 . 1 1 15 15 SER H H 1 . 1 1 15 15 SER N N 15 0.775 0.050 . . . . . . . . . . 4267 9 10 . 1 1 16 16 LYS H H 1 . 1 1 16 16 LYS N N 15 0.758 0.050 . . . . . . . . . . 4267 9 11 . 1 1 17 17 VAL H H 1 . 1 1 17 17 VAL N N 15 0.807 0.050 . . . . . . . . . . 4267 9 12 . 1 1 19 19 LEU H H 1 . 1 1 19 19 LEU N N 15 0.753 0.050 . . . . . . . . . . 4267 9 13 . 1 1 20 20 GLN H H 1 . 1 1 20 20 GLN N N 15 0.850 0.056 . . . . . . . . . . 4267 9 14 . 1 1 21 21 GLN H H 1 . 1 1 21 21 GLN N N 15 0.799 0.050 . . . . . . . . . . 4267 9 15 . 1 1 23 23 PHE H H 1 . 1 1 23 23 PHE N N 15 0.774 0.050 . . . . . . . . . . 4267 9 16 . 1 1 24 24 GLN H H 1 . 1 1 24 24 GLN N N 15 0.793 0.064 . . . . . . . . . . 4267 9 17 . 1 1 25 25 ASP H H 1 . 1 1 25 25 ASP N N 15 0.830 0.050 . . . . . . . . . . 4267 9 18 . 1 1 26 26 ASN H H 1 . 1 1 26 26 ASN N N 15 0.838 0.050 . . . . . . . . . . 4267 9 19 . 1 1 27 27 GLN H H 1 . 1 1 27 27 GLN N N 15 0.770 0.050 . . . . . . . . . . 4267 9 20 . 1 1 28 28 PHE H H 1 . 1 1 28 28 PHE N N 15 0.809 0.050 . . . . . . . . . . 4267 9 21 . 1 1 29 29 GLN H H 1 . 1 1 29 29 GLN N N 15 0.749 0.050 . . . . . . . . . . 4267 9 22 . 1 1 30 30 GLY H H 1 . 1 1 30 30 GLY N N 15 0.863 0.064 . . . . . . . . . . 4267 9 23 . 1 1 31 31 LYS H H 1 . 1 1 31 31 LYS N N 15 0.865 0.050 . . . . . . . . . . 4267 9 24 . 1 1 32 32 TRP H H 1 . 1 1 32 32 TRP N N 15 0.813 0.056 . . . . . . . . . . 4267 9 25 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.807 0.061 . . . . . . . . . . 4267 9 26 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.813 0.074 . . . . . . . . . . 4267 9 27 . 1 1 35 35 VAL H H 1 . 1 1 35 35 VAL N N 15 0.798 0.104 . . . . . . . . . . 4267 9 28 . 1 1 36 36 GLY H H 1 . 1 1 36 36 GLY N N 15 0.812 0.059 . . . . . . . . . . 4267 9 29 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.802 0.055 . . . . . . . . . . 4267 9 30 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.779 0.051 . . . . . . . . . . 4267 9 31 . 1 1 39 39 GLY H H 1 . 1 1 39 39 GLY N N 15 0.708 0.064 . . . . . . . . . . 4267 9 32 . 1 1 40 40 ASN H H 1 . 1 1 40 40 ASN N N 15 0.853 0.066 . . . . . . . . . . 4267 9 33 . 1 1 41 41 ALA H H 1 . 1 1 41 41 ALA N N 15 0.734 0.089 . . . . . . . . . . 4267 9 34 . 1 1 43 43 LEU H H 1 . 1 1 43 43 LEU N N 15 0.709 0.136 . . . . . . . . . . 4267 9 35 . 1 1 46 46 ASP H H 1 . 1 1 46 46 ASP N N 15 0.452 0.122 . . . . . . . . . . 4267 9 36 . 1 1 48 48 ASP H H 1 . 1 1 48 48 ASP N N 15 0.774 0.065 . . . . . . . . . . 4267 9 37 . 1 1 52 52 MET H H 1 . 1 1 52 52 MET N N 15 0.716 0.130 . . . . . . . . . . 4267 9 38 . 1 1 53 53 TYR H H 1 . 1 1 53 53 TYR N N 15 0.637 0.140 . . . . . . . . . . 4267 9 39 . 1 1 54 54 ALA H H 1 . 1 1 54 54 ALA N N 15 0.842 0.067 . . . . . . . . . . 4267 9 40 . 1 1 55 55 THR H H 1 . 1 1 55 55 THR N N 15 0.856 0.072 . . . . . . . . . . 4267 9 41 . 1 1 56 56 ILE H H 1 . 1 1 56 56 ILE N N 15 0.813 0.100 . . . . . . . . . . 4267 9 42 . 1 1 57 57 TYR H H 1 . 1 1 57 57 TYR N N 15 0.753 0.064 . . . . . . . . . . 4267 9 43 . 1 1 58 58 GLU H H 1 . 1 1 58 58 GLU N N 15 0.828 0.050 . . . . . . . . . . 4267 9 44 . 1 1 60 60 LYS H H 1 . 1 1 60 60 LYS N N 15 0.747 0.055 . . . . . . . . . . 4267 9 45 . 1 1 61 61 GLU H H 1 . 1 1 61 61 GLU N N 15 0.728 0.065 . . . . . . . . . . 4267 9 46 . 1 1 62 62 ASP H H 1 . 1 1 62 62 ASP N N 15 0.758 0.050 . . . . . . . . . . 4267 9 47 . 1 1 63 63 LYS H H 1 . 1 1 63 63 LYS N N 15 0.772 0.050 . . . . . . . . . . 4267 9 48 . 1 1 64 64 SER H H 1 . 1 1 64 64 SER N N 15 0.739 0.050 . . . . . . . . . . 4267 9 49 . 1 1 65 65 TYR H H 1 . 1 1 65 65 TYR N N 15 0.776 0.054 . . . . . . . . . . 4267 9 50 . 1 1 66 66 ASN H H 1 . 1 1 66 66 ASN N N 15 0.883 0.061 . . . . . . . . . . 4267 9 51 . 1 1 67 67 VAL H H 1 . 1 1 67 67 VAL N N 15 0.829 0.055 . . . . . . . . . . 4267 9 52 . 1 1 68 68 THR H H 1 . 1 1 68 68 THR N N 15 0.856 0.074 . . . . . . . . . . 4267 9 53 . 1 1 69 69 SER H H 1 . 1 1 69 69 SER N N 15 0.901 0.114 . . . . . . . . . . 4267 9 54 . 1 1 71 71 LEU H H 1 . 1 1 71 71 LEU N N 15 0.732 0.067 . . . . . . . . . . 4267 9 55 . 1 1 73 73 ARG H H 1 . 1 1 73 73 ARG N N 15 0.765 0.050 . . . . . . . . . . 4267 9 56 . 1 1 76 76 LYS H H 1 . 1 1 76 76 LYS N N 15 0.677 0.050 . . . . . . . . . . 4267 9 57 . 1 1 77 77 CYS H H 1 . 1 1 77 77 CYS N N 15 0.696 0.053 . . . . . . . . . . 4267 9 58 . 1 1 78 78 ASP H H 1 . 1 1 78 78 ASP N N 15 0.781 0.070 . . . . . . . . . . 4267 9 59 . 1 1 79 79 TYR H H 1 . 1 1 79 79 TYR N N 15 0.733 0.050 . . . . . . . . . . 4267 9 60 . 1 1 80 80 TRP H H 1 . 1 1 80 80 TRP N N 15 0.878 0.062 . . . . . . . . . . 4267 9 61 . 1 1 82 82 ARG H H 1 . 1 1 82 82 ARG N N 15 0.718 0.074 . . . . . . . . . . 4267 9 62 . 1 1 83 83 THR H H 1 . 1 1 83 83 THR N N 15 0.777 0.063 . . . . . . . . . . 4267 9 63 . 1 1 84 84 PHE H H 1 . 1 1 84 84 PHE N N 15 0.766 0.064 . . . . . . . . . . 4267 9 64 . 1 1 87 87 GLY H H 1 . 1 1 87 87 GLY N N 15 0.731 0.074 . . . . . . . . . . 4267 9 65 . 1 1 88 88 CYS H H 1 . 1 1 88 88 CYS N N 15 0.820 0.050 . . . . . . . . . . 4267 9 66 . 1 1 89 89 GLN H H 1 . 1 1 89 89 GLN N N 15 0.553 0.050 . . . . . . . . . . 4267 9 67 . 1 1 92 92 GLU H H 1 . 1 1 92 92 GLU N N 15 0.796 0.050 . . . . . . . . . . 4267 9 68 . 1 1 93 93 PHE H H 1 . 1 1 93 93 PHE N N 15 0.730 0.050 . . . . . . . . . . 4267 9 69 . 1 1 94 94 THR H H 1 . 1 1 94 94 THR N N 15 0.782 0.062 . . . . . . . . . . 4267 9 70 . 1 1 95 95 LEU H H 1 . 1 1 95 95 LEU N N 15 0.865 0.065 . . . . . . . . . . 4267 9 71 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.712 0.080 . . . . . . . . . . 4267 9 72 . 1 1 97 97 ASN H H 1 . 1 1 97 97 ASN N N 15 0.862 0.106 . . . . . . . . . . 4267 9 73 . 1 1 98 98 ILE H H 1 . 1 1 98 98 ILE N N 15 0.770 0.050 . . . . . . . . . . 4267 9 74 . 1 1 99 99 LYS H H 1 . 1 1 99 99 LYS N N 15 0.726 0.050 . . . . . . . . . . 4267 9 75 . 1 1 100 100 SER H H 1 . 1 1 100 100 SER N N 15 0.823 0.050 . . . . . . . . . . 4267 9 76 . 1 1 101 101 TYR H H 1 . 1 1 101 101 TYR N N 15 0.755 0.050 . . . . . . . . . . 4267 9 77 . 1 1 103 103 GLY H H 1 . 1 1 103 103 GLY N N 15 0.896 0.254 . . . . . . . . . . 4267 9 78 . 1 1 104 104 LEU H H 1 . 1 1 104 104 LEU N N 15 0.719 0.050 . . . . . . . . . . 4267 9 79 . 1 1 105 105 THR H H 1 . 1 1 105 105 THR N N 15 0.764 0.060 . . . . . . . . . . 4267 9 80 . 1 1 106 106 SER H H 1 . 1 1 106 106 SER N N 15 0.776 0.050 . . . . . . . . . . 4267 9 81 . 1 1 107 107 TYR H H 1 . 1 1 107 107 TYR N N 15 0.766 0.053 . . . . . . . . . . 4267 9 82 . 1 1 108 108 LEU H H 1 . 1 1 108 108 LEU N N 15 0.765 0.063 . . . . . . . . . . 4267 9 83 . 1 1 109 109 VAL H H 1 . 1 1 109 109 VAL N N 15 0.785 0.055 . . . . . . . . . . 4267 9 84 . 1 1 110 110 ARG H H 1 . 1 1 110 110 ARG N N 15 0.784 0.050 . . . . . . . . . . 4267 9 85 . 1 1 112 112 VAL H H 1 . 1 1 112 112 VAL N N 15 0.896 0.077 . . . . . . . . . . 4267 9 86 . 1 1 113 113 SER H H 1 . 1 1 113 113 SER N N 15 0.818 0.050 . . . . . . . . . . 4267 9 87 . 1 1 115 115 ASN H H 1 . 1 1 115 115 ASN N N 15 0.778 0.059 . . . . . . . . . . 4267 9 88 . 1 1 116 116 TYR H H 1 . 1 1 116 116 TYR N N 15 0.797 0.080 . . . . . . . . . . 4267 9 89 . 1 1 117 117 ASN H H 1 . 1 1 117 117 ASN N N 15 0.829 0.050 . . . . . . . . . . 4267 9 90 . 1 1 118 118 GLN H H 1 . 1 1 118 118 GLN N N 15 0.845 0.051 . . . . . . . . . . 4267 9 91 . 1 1 119 119 HIS H H 1 . 1 1 119 119 HIS N N 15 0.881 0.068 . . . . . . . . . . 4267 9 92 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.851 0.050 . . . . . . . . . . 4267 9 93 . 1 1 122 122 VAL H H 1 . 1 1 122 122 VAL N N 15 0.886 0.074 . . . . . . . . . . 4267 9 94 . 1 1 123 123 PHE H H 1 . 1 1 123 123 PHE N N 15 0.815 0.077 . . . . . . . . . . 4267 9 95 . 1 1 124 124 PHE H H 1 . 1 1 124 124 PHE N N 15 0.840 0.050 . . . . . . . . . . 4267 9 96 . 1 1 125 125 LYS H H 1 . 1 1 125 125 LYS N N 15 0.819 0.050 . . . . . . . . . . 4267 9 97 . 1 1 127 127 VAL H H 1 . 1 1 127 127 VAL N N 15 0.854 0.073 . . . . . . . . . . 4267 9 98 . 1 1 128 128 SER H H 1 . 1 1 128 128 SER N N 15 0.782 0.051 . . . . . . . . . . 4267 9 99 . 1 1 129 129 GLN H H 1 . 1 1 129 129 GLN N N 15 0.826 0.083 . . . . . . . . . . 4267 9 100 . 1 1 130 130 ASN H H 1 . 1 1 130 130 ASN N N 15 0.707 0.050 . . . . . . . . . . 4267 9 101 . 1 1 131 131 ARG H H 1 . 1 1 131 131 ARG N N 15 0.689 0.050 . . . . . . . . . . 4267 9 102 . 1 1 132 132 GLU H H 1 . 1 1 132 132 GLU N N 15 0.726 0.050 . . . . . . . . . . 4267 9 103 . 1 1 133 133 TYR H H 1 . 1 1 133 133 TYR N N 15 0.742 0.067 . . . . . . . . . . 4267 9 104 . 1 1 134 134 PHE H H 1 . 1 1 134 134 PHE N N 15 0.764 0.050 . . . . . . . . . . 4267 9 105 . 1 1 135 135 LYS H H 1 . 1 1 135 135 LYS N N 15 0.841 0.050 . . . . . . . . . . 4267 9 106 . 1 1 136 136 ILE H H 1 . 1 1 136 136 ILE N N 15 0.845 0.068 . . . . . . . . . . 4267 9 107 . 1 1 137 137 THR H H 1 . 1 1 137 137 THR N N 15 0.799 0.080 . . . . . . . . . . 4267 9 108 . 1 1 138 138 LEU H H 1 . 1 1 138 138 LEU N N 15 0.903 0.073 . . . . . . . . . . 4267 9 109 . 1 1 139 139 TYR H H 1 . 1 1 139 139 TYR N N 15 0.795 0.059 . . . . . . . . . . 4267 9 110 . 1 1 140 140 GLY H H 1 . 1 1 140 140 GLY N N 15 0.763 0.063 . . . . . . . . . . 4267 9 111 . 1 1 141 141 ARG H H 1 . 1 1 141 141 ARG N N 15 0.861 0.062 . . . . . . . . . . 4267 9 112 . 1 1 142 142 THR H H 1 . 1 1 142 142 THR N N 15 0.830 0.050 . . . . . . . . . . 4267 9 113 . 1 1 143 143 LYS H H 1 . 1 1 143 143 LYS N N 15 0.752 0.057 . . . . . . . . . . 4267 9 114 . 1 1 144 144 GLU H H 1 . 1 1 144 144 GLU N N 15 0.680 0.050 . . . . . . . . . . 4267 9 115 . 1 1 146 146 THR H H 1 . 1 1 146 146 THR N N 15 0.622 0.050 . . . . . . . . . . 4267 9 116 . 1 1 148 148 GLU H H 1 . 1 1 148 148 GLU N N 15 0.831 0.050 . . . . . . . . . . 4267 9 117 . 1 1 150 150 LYS H H 1 . 1 1 150 150 LYS N N 15 0.761 0.050 . . . . . . . . . . 4267 9 118 . 1 1 151 151 GLU H H 1 . 1 1 151 151 GLU N N 15 0.785 0.050 . . . . . . . . . . 4267 9 119 . 1 1 152 152 ASN H H 1 . 1 1 152 152 ASN N N 15 0.827 0.050 . . . . . . . . . . 4267 9 120 . 1 1 154 154 ILE H H 1 . 1 1 154 154 ILE N N 15 0.799 0.050 . . . . . . . . . . 4267 9 121 . 1 1 155 155 ARG H H 1 . 1 1 155 155 ARG N N 15 0.790 0.050 . . . . . . . . . . 4267 9 122 . 1 1 156 156 PHE H H 1 . 1 1 156 156 PHE N N 15 0.819 0.050 . . . . . . . . . . 4267 9 123 . 1 1 157 157 SER H H 1 . 1 1 157 157 SER N N 15 0.790 0.050 . . . . . . . . . . 4267 9 124 . 1 1 158 158 LYS H H 1 . 1 1 158 158 LYS N N 15 0.799 0.050 . . . . . . . . . . 4267 9 125 . 1 1 159 159 SER H H 1 . 1 1 159 159 SER N N 15 0.826 0.050 . . . . . . . . . . 4267 9 126 . 1 1 160 160 LEU H H 1 . 1 1 160 160 LEU N N 15 0.808 0.050 . . . . . . . . . . 4267 9 127 . 1 1 161 161 GLY H H 1 . 1 1 161 161 GLY N N 15 0.846 0.050 . . . . . . . . . . 4267 9 128 . 1 1 162 162 LEU H H 1 . 1 1 162 162 LEU N N 15 0.818 0.050 . . . . . . . . . . 4267 9 129 . 1 1 165 165 ASN H H 1 . 1 1 165 165 ASN N N 15 0.788 0.055 . . . . . . . . . . 4267 9 130 . 1 1 167 167 ILE H H 1 . 1 1 167 167 ILE N N 15 0.825 0.058 . . . . . . . . . . 4267 9 131 . 1 1 168 168 VAL H H 1 . 1 1 168 168 VAL N N 15 0.787 0.054 . . . . . . . . . . 4267 9 132 . 1 1 169 169 PHE H H 1 . 1 1 169 169 PHE N N 15 0.773 0.051 . . . . . . . . . . 4267 9 133 . 1 1 171 171 VAL H H 1 . 1 1 171 171 VAL N N 15 0.718 0.053 . . . . . . . . . . 4267 9 134 . 1 1 173 173 ILE H H 1 . 1 1 173 173 ILE N N 15 0.721 0.189 . . . . . . . . . . 4267 9 135 . 1 1 175 175 GLN H H 1 . 1 1 175 175 GLN N N 15 0.534 0.063 . . . . . . . . . . 4267 9 136 . 1 1 176 176 CYS H H 1 . 1 1 176 176 CYS N N 15 0.703 0.145 . . . . . . . . . . 4267 9 137 . 1 1 178 178 ASP H H 1 . 1 1 178 178 ASP N N 15 0.708 0.050 . . . . . . . . . . 4267 9 138 . 1 1 179 179 GLY H H 1 . 1 1 179 179 GLY N N 15 -0.224 0.050 . . . . . . . . . . 4267 9 stop_ save_