############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 28059 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 200000 _Heteronucl_NOE_list.NOE_ref_description 'difference peaks have difference ref intensities in the ref spectrum.' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '1H-15N heteronuckear NOE' . . . 28059 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 $SPARKY . . 28059 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 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.606 0.006 . . . 54 VAL N . 54 VAL H 28059 1 2 . 1 1 28 28 ILE N N 15 . 1 1 28 28 ILE H H 1 0.734 0.005 . . . 55 ILE N . 55 ILE H 28059 1 3 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.746 0.005 . . . 56 ALA N . 56 ALA H 28059 1 4 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.717 0.006 . . . 57 THR N . 57 THR H 28059 1 5 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.760 0.007 . . . 58 LYS N . 58 LYS H 28059 1 6 . 1 1 32 32 VAL N N 15 . 1 1 32 32 VAL H H 1 0.762 0.006 . . . 59 VAL N . 59 VAL H 28059 1 7 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.727 0.006 . . . 60 LEU N . 60 LEU H 28059 1 8 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.751 0.008 . . . 61 GLY N . 61 GLY H 28059 1 9 . 1 1 35 35 THR N N 15 . 1 1 35 35 THR H H 1 0.755 0.008 . . . 62 THR N . 62 THR H 28059 1 10 . 1 1 36 36 VAL N N 15 . 1 1 36 36 VAL H H 1 0.768 0.008 . . . 63 VAL N . 63 VAL H 28059 1 11 . 1 1 37 37 LYS N N 15 . 1 1 37 37 LYS H H 1 0.766 0.011 . . . 64 LYS N . 64 LYS H 28059 1 12 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.765 0.007 . . . 65 TRP N . 65 TRP H 28059 1 13 . 1 1 39 39 PHE N N 15 . 1 1 39 39 PHE H H 1 0.737 0.007 . . . 66 PHE N . 66 PHE H 28059 1 14 . 1 1 40 40 ASN N N 15 . 1 1 40 40 ASN H H 1 0.735 0.009 . . . 67 ASN N . 67 ASN H 28059 1 15 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.646 0.007 . . . 69 ARG N . 69 ARG H 28059 1 16 . 1 1 43 43 ASN N N 15 . 1 1 43 43 ASN H H 1 0.727 0.007 . . . 70 ASN N . 70 ASN H 28059 1 17 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.747 0.007 . . . 71 GLY N . 71 GLY H 28059 1 18 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.794 0.005 . . . 72 TYR N . 72 TYR H 28059 1 19 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 0.773 0.007 . . . 73 GLY N . 73 GLY H 28059 1 20 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.797 0.008 . . . 74 PHE N . 74 PHE H 28059 1 21 . 1 1 48 48 ILE N N 15 . 1 1 48 48 ILE H H 1 0.760 0.009 . . . 75 ILE N . 75 ILE H 28059 1 22 . 1 1 49 49 ASN N N 15 . 1 1 49 49 ASN H H 1 0.773 0.005 . . . 76 ASN N . 76 ASN H 28059 1 23 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.763 0.007 . . . 77 ARG N . 77 ARG H 28059 1 24 . 1 1 51 51 ASN N N 15 . 1 1 51 51 ASN H H 1 0.770 0.007 . . . 78 ASN N . 78 ASN H 28059 1 25 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.764 0.004 . . . 79 ASP N . 79 ASP H 28059 1 26 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.731 0.006 . . . 80 THR N . 80 THR H 28059 1 27 . 1 1 55 55 GLU N N 15 . 1 1 55 55 GLU H H 1 0.768 0.006 . . . 82 GLU N . 82 GLU H 28059 1 28 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.739 0.005 . . . 83 ASP N . 83 ASP H 28059 1 29 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.739 0.007 . . . 84 VAL N . 84 VAL H 28059 1 30 . 1 1 58 58 PHE N N 15 . 1 1 58 58 PHE H H 1 0.717 0.007 . . . 85 PHE N . 85 PHE H 28059 1 31 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.764 0.007 . . . 86 VAL N . 86 VAL H 28059 1 32 . 1 1 60 60 HIS N N 15 . 1 1 60 60 HIS H H 1 0.767 0.009 . . . 87 HIS N . 87 HIS H 28059 1 33 . 1 1 61 61 GLN N N 15 . 1 1 61 61 GLN H H 1 0.772 0.004 . . . 88 GLN N . 88 GLN H 28059 1 34 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.779 0.013 . . . 89 THR N . 89 THR H 28059 1 35 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.698 0.004 . . . 90 ALA N . 90 ALA H 28059 1 36 . 1 1 64 64 ILE N N 15 . 1 1 64 64 ILE H H 1 0.785 0.006 . . . 91 ILE N . 91 ILE H 28059 1 37 . 1 1 65 65 LYS N N 15 . 1 1 65 65 LYS H H 1 0.759 0.016 . . . 92 LYS N . 92 LYS H 28059 1 38 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.726 0.008 . . . 97 ARG N . 97 ARG H 28059 1 39 . 1 1 71 71 LYS N N 15 . 1 1 71 71 LYS H H 1 0.703 0.022 . . . 98 LYS N . 98 LYS H 28059 1 40 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.648 0.015 . . . 100 LEU N . 100 LEU H 28059 1 41 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.673 0.006 . . . 101 ARG N . 101 ARG H 28059 1 42 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.751 0.014 . . . 102 SER N . 102 SER H 28059 1 43 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.758 0.043 . . . 104 GLY N . 104 GLY H 28059 1 44 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.711 0.004 . . . 105 ASP N . 105 ASP H 28059 1 45 . 1 1 79 79 GLY N N 15 . 1 1 79 79 GLY H H 1 0.765 0.008 . . . 106 GLY N . 106 GLY H 28059 1 46 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.758 0.006 . . . 107 GLU N . 107 GLU H 28059 1 47 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.755 0.007 . . . 108 THR N . 108 THR H 28059 1 48 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.775 0.009 . . . 109 VAL N . 109 VAL H 28059 1 49 . 1 1 83 83 GLU N N 15 . 1 1 83 83 GLU H H 1 0.801 0.009 . . . 110 GLU N . 110 GLU H 28059 1 50 . 1 1 84 84 PHE N N 15 . 1 1 84 84 PHE H H 1 0.780 0.007 . . . 111 PHE N . 111 PHE H 28059 1 51 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.770 0.004 . . . 112 ASP N . 112 ASP H 28059 1 52 . 1 1 86 86 VAL N N 15 . 1 1 86 86 VAL H H 1 0.756 0.008 . . . 113 VAL N . 113 VAL H 28059 1 53 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 0.785 0.009 . . . 114 VAL N . 114 VAL H 28059 1 54 . 1 1 88 88 GLU N N 15 . 1 1 88 88 GLU H H 1 0.713 0.006 . . . 115 GLU N . 115 GLU H 28059 1 55 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.490 0.006 . . . 116 GLY N . 116 GLY H 28059 1 56 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.497 0.022 . . . 117 GLU N . 117 GLU H 28059 1 57 . 1 1 91 91 LYS N N 15 . 1 1 91 91 LYS H H 1 0.443 0.009 . . . 118 LYS N . 118 LYS H 28059 1 58 . 1 1 92 92 GLY N N 15 . 1 1 92 92 GLY H H 1 0.473 0.005 . . . 119 GLY N . 119 GLY H 28059 1 59 . 1 1 93 93 ALA N N 15 . 1 1 93 93 ALA H H 1 0.648 0.004 . . . 120 ALA N . 120 ALA H 28059 1 60 . 1 1 94 94 GLU N N 15 . 1 1 94 94 GLU H H 1 0.731 0.008 . . . 121 GLU N . 121 GLU H 28059 1 61 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.793 0.006 . . . 122 ALA N . 122 ALA H 28059 1 62 . 1 1 96 96 ALA N N 15 . 1 1 96 96 ALA H H 1 0.771 0.007 . . . 123 ALA N . 123 ALA H 28059 1 63 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.758 0.006 . . . 124 ASN N . 124 ASN H 28059 1 64 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.775 0.006 . . . 125 VAL N . 125 VAL H 28059 1 65 . 1 1 99 99 THR N N 15 . 1 1 99 99 THR H H 1 0.790 0.009 . . . 126 THR N . 126 THR H 28059 1 66 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.762 0.012 . . . 127 GLY N . 127 GLY H 28059 1 67 . 1 1 102 102 GLY N N 15 . 1 1 102 102 GLY H H 1 0.765 0.007 . . . 129 GLY N . 129 GLY H 28059 1 68 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.766 0.007 . . . 130 GLY N . 130 GLY H 28059 1 69 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.728 0.014 . . . 131 VAL N . 131 VAL H 28059 1 70 . 1 1 106 106 VAL N N 15 . 1 1 106 106 VAL H H 1 0.728 0.016 . . . 133 VAL N . 133 VAL H 28059 1 71 . 1 1 107 107 GLN N N 15 . 1 1 107 107 GLN H H 1 0.720 0.062 . . . 134 GLN N . 134 GLN H 28059 1 72 . 1 1 108 108 GLY N N 15 . 1 1 108 108 GLY H H 1 0.734 0.018 . . . 135 GLY N . 135 GLY H 28059 1 73 . 1 1 109 109 SER N N 15 . 1 1 109 109 SER H H 1 0.755 0.017 . . . 136 SER N . 136 SER H 28059 1 74 . 1 1 111 111 TYR N N 15 . 1 1 111 111 TYR H H 1 0.535 0.020 . . . 138 TYR N . 138 TYR H 28059 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 28059 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name . _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 200000 _Heteronucl_NOE_list.NOE_ref_description 'same as list_1' _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 2 '1H-15N heteronuckear NOE' . . . 28059 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 $SPARKY . . 28059 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 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.767 0.003 . . . 54 VAL N . 54 VAL H 28059 2 2 . 1 1 28 28 ILE N N 15 . 1 1 28 28 ILE H H 1 0.769 0.006 . . . 55 ILE N . 55 ILE H 28059 2 3 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.824 0.003 . . . 56 ALA N . 56 ALA H 28059 2 4 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.795 0.003 . . . 57 THR N . 57 THR H 28059 2 5 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.837 0.003 . . . 58 LYS N . 58 LYS H 28059 2 6 . 1 1 32 32 VAL N N 15 . 1 1 32 32 VAL H H 1 0.843 0.003 . . . 59 VAL N . 59 VAL H 28059 2 7 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 0.828 0.003 . . . 60 LEU N . 60 LEU H 28059 2 8 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.863 0.003 . . . 61 GLY N . 61 GLY H 28059 2 9 . 1 1 35 35 THR N N 15 . 1 1 35 35 THR H H 1 0.858 0.003 . . . 62 THR N . 62 THR H 28059 2 10 . 1 1 36 36 VAL N N 15 . 1 1 36 36 VAL H H 1 0.866 0.003 . . . 63 VAL N . 63 VAL H 28059 2 11 . 1 1 37 37 LYS N N 15 . 1 1 37 37 LYS H H 1 0.810 0.005 . . . 64 LYS N . 64 LYS H 28059 2 12 . 1 1 38 38 TRP N N 15 . 1 1 38 38 TRP H H 1 0.814 0.003 . . . 65 TRP N . 65 TRP H 28059 2 13 . 1 1 39 39 PHE N N 15 . 1 1 39 39 PHE H H 1 0.805 0.003 . . . 66 PHE N . 66 PHE H 28059 2 14 . 1 1 40 40 ASN N N 15 . 1 1 40 40 ASN H H 1 0.834 0.004 . . . 67 ASN N . 67 ASN H 28059 2 15 . 1 1 41 41 VAL N N 15 . 1 1 41 41 VAL H H 1 0.826 0.004 . . . 68 VAL N . 68 VAL H 28059 2 16 . 1 1 42 42 ARG N N 15 . 1 1 42 42 ARG H H 1 0.796 0.003 . . . 69 ARG N . 69 ARG H 28059 2 17 . 1 1 43 43 ASN N N 15 . 1 1 43 43 ASN H H 1 0.806 0.003 . . . 70 ASN N . 70 ASN H 28059 2 18 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.819 0.003 . . . 71 GLY N . 71 GLY H 28059 2 19 . 1 1 45 45 TYR N N 15 . 1 1 45 45 TYR H H 1 0.875 0.003 . . . 72 TYR N . 72 TYR H 28059 2 20 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 0.894 0.004 . . . 73 GLY N . 73 GLY H 28059 2 21 . 1 1 47 47 PHE N N 15 . 1 1 47 47 PHE H H 1 0.830 0.003 . . . 74 PHE N . 74 PHE H 28059 2 22 . 1 1 48 48 ILE N N 15 . 1 1 48 48 ILE H H 1 0.854 0.004 . . . 75 ILE N . 75 ILE H 28059 2 23 . 1 1 49 49 ASN N N 15 . 1 1 49 49 ASN H H 1 0.826 0.004 . . . 76 ASN N . 76 ASN H 28059 2 24 . 1 1 50 50 ARG N N 15 . 1 1 50 50 ARG H H 1 0.789 0.004 . . . 77 ARG N . 77 ARG H 28059 2 25 . 1 1 51 51 ASN N N 15 . 1 1 51 51 ASN H H 1 0.806 0.003 . . . 78 ASN N . 78 ASN H 28059 2 26 . 1 1 52 52 ASP N N 15 . 1 1 52 52 ASP H H 1 0.833 0.001 . . . 79 ASP N . 79 ASP H 28059 2 27 . 1 1 53 53 THR N N 15 . 1 1 53 53 THR H H 1 0.799 0.003 . . . 80 THR N . 80 THR H 28059 2 28 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.867 0.003 . . . 81 LYS N . 81 LYS H 28059 2 29 . 1 1 55 55 GLU N N 15 . 1 1 55 55 GLU H H 1 0.842 0.003 . . . 82 GLU N . 82 GLU H 28059 2 30 . 1 1 56 56 ASP N N 15 . 1 1 56 56 ASP H H 1 0.781 0.003 . . . 83 ASP N . 83 ASP H 28059 2 31 . 1 1 57 57 VAL N N 15 . 1 1 57 57 VAL H H 1 0.841 0.004 . . . 84 VAL N . 84 VAL H 28059 2 32 . 1 1 58 58 PHE N N 15 . 1 1 58 58 PHE H H 1 0.829 0.003 . . . 85 PHE N . 85 PHE H 28059 2 33 . 1 1 59 59 VAL N N 15 . 1 1 59 59 VAL H H 1 0.847 0.003 . . . 86 VAL N . 86 VAL H 28059 2 34 . 1 1 60 60 HIS N N 15 . 1 1 60 60 HIS H H 1 0.814 0.005 . . . 87 HIS N . 87 HIS H 28059 2 35 . 1 1 61 61 GLN N N 15 . 1 1 61 61 GLN H H 1 0.833 0.004 . . . 88 GLN N . 88 GLN H 28059 2 36 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.819 0.003 . . . 89 THR N . 89 THR H 28059 2 37 . 1 1 63 63 ALA N N 15 . 1 1 63 63 ALA H H 1 0.855 0.003 . . . 90 ALA N . 90 ALA H 28059 2 38 . 1 1 64 64 ILE N N 15 . 1 1 64 64 ILE H H 1 0.802 0.003 . . . 91 ILE N . 91 ILE H 28059 2 39 . 1 1 65 65 LYS N N 15 . 1 1 65 65 LYS H H 1 0.810 0.005 . . . 92 LYS N . 92 LYS H 28059 2 40 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.803 0.004 . . . 93 LYS N . 93 LYS H 28059 2 41 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.775 0.012 . . . 94 ASN N . 94 ASN H 28059 2 42 . 1 1 68 68 ASN N N 15 . 1 1 68 68 ASN H H 1 0.819 0.005 . . . 95 ASN N . 95 ASN H 28059 2 43 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.782 0.003 . . . 97 ARG N . 97 ARG H 28059 2 44 . 1 1 71 71 LYS N N 15 . 1 1 71 71 LYS H H 1 0.763 0.007 . . . 98 LYS N . 98 LYS H 28059 2 45 . 1 1 72 72 TYR N N 15 . 1 1 72 72 TYR H H 1 0.778 0.007 . . . 99 TYR N . 99 TYR H 28059 2 46 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.810 0.005 . . . 100 LEU N . 100 LEU H 28059 2 47 . 1 1 75 75 SER N N 15 . 1 1 75 75 SER H H 1 0.830 0.003 . . . 102 SER N . 102 SER H 28059 2 48 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.867 0.003 . . . 103 VAL N . 103 VAL H 28059 2 49 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.864 0.004 . . . 104 GLY N . 104 GLY H 28059 2 50 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.775 0.002 . . . 105 ASP N . 105 ASP H 28059 2 51 . 1 1 79 79 GLY N N 15 . 1 1 79 79 GLY H H 1 0.791 0.004 . . . 106 GLY N . 106 GLY H 28059 2 52 . 1 1 80 80 GLU N N 15 . 1 1 80 80 GLU H H 1 0.866 0.002 . . . 107 GLU N . 107 GLU H 28059 2 53 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 0.812 0.003 . . . 108 THR N . 108 THR H 28059 2 54 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.821 0.003 . . . 109 VAL N . 109 VAL H 28059 2 55 . 1 1 83 83 GLU N N 15 . 1 1 83 83 GLU H H 1 0.799 0.004 . . . 110 GLU N . 110 GLU H 28059 2 56 . 1 1 84 84 PHE N N 15 . 1 1 84 84 PHE H H 1 0.833 0.003 . . . 111 PHE N . 111 PHE H 28059 2 57 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.833 0.001 . . . 112 ASP N . 112 ASP H 28059 2 58 . 1 1 86 86 VAL N N 15 . 1 1 86 86 VAL H H 1 0.827 0.003 . . . 113 VAL N . 113 VAL H 28059 2 59 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 0.783 0.005 . . . 114 VAL N . 114 VAL H 28059 2 60 . 1 1 88 88 GLU N N 15 . 1 1 88 88 GLU H H 1 0.783 0.004 . . . 115 GLU N . 115 GLU H 28059 2 61 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.625 0.003 . . . 116 GLY N . 116 GLY H 28059 2 62 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.631 0.008 . . . 117 GLU N . 117 GLU H 28059 2 63 . 1 1 91 91 LYS N N 15 . 1 1 91 91 LYS H H 1 0.588 0.005 . . . 118 LYS N . 118 LYS H 28059 2 64 . 1 1 92 92 GLY N N 15 . 1 1 92 92 GLY H H 1 0.676 0.002 . . . 119 GLY N . 119 GLY H 28059 2 65 . 1 1 93 93 ALA N N 15 . 1 1 93 93 ALA H H 1 0.759 0.003 . . . 120 ALA N . 120 ALA H 28059 2 66 . 1 1 94 94 GLU N N 15 . 1 1 94 94 GLU H H 1 0.739 0.005 . . . 121 GLU N . 121 GLU H 28059 2 67 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.782 0.003 . . . 122 ALA N . 122 ALA H 28059 2 68 . 1 1 96 96 ALA N N 15 . 1 1 96 96 ALA H H 1 0.795 0.004 . . . 123 ALA N . 123 ALA H 28059 2 69 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.835 0.004 . . . 124 ASN N . 124 ASN H 28059 2 70 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.855 0.003 . . . 125 VAL N . 125 VAL H 28059 2 71 . 1 1 99 99 THR N N 15 . 1 1 99 99 THR H H 1 0.844 0.005 . . . 126 THR N . 126 THR H 28059 2 72 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.801 0.004 . . . 127 GLY N . 127 GLY H 28059 2 73 . 1 1 102 102 GLY N N 15 . 1 1 102 102 GLY H H 1 0.854 0.004 . . . 129 GLY N . 129 GLY H 28059 2 74 . 1 1 103 103 GLY N N 15 . 1 1 103 103 GLY H H 1 0.816 0.003 . . . 130 GLY N . 130 GLY H 28059 2 75 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.761 0.002 . . . 131 VAL N . 131 VAL H 28059 2 76 . 1 1 106 106 VAL N N 15 . 1 1 106 106 VAL H H 1 0.869 0.003 . . . 133 VAL N . 133 VAL H 28059 2 77 . 1 1 107 107 GLN N N 15 . 1 1 107 107 GLN H H 1 0.821 0.004 . . . 134 GLN N . 134 GLN H 28059 2 78 . 1 1 108 108 GLY N N 15 . 1 1 108 108 GLY H H 1 0.807 0.004 . . . 135 GLY N . 135 GLY H 28059 2 79 . 1 1 109 109 SER N N 15 . 1 1 109 109 SER H H 1 0.841 0.005 . . . 136 SER N . 136 SER H 28059 2 80 . 1 1 110 110 LYS N N 15 . 1 1 110 110 LYS H H 1 0.807 0.024 . . . 137 LYS N . 137 LYS H 28059 2 81 . 1 1 111 111 TYR N N 15 . 1 1 111 111 TYR H H 1 0.782 0.004 . . . 138 TYR N . 138 TYR H 28059 2 82 . 1 1 112 112 ALA N N 15 . 1 1 112 112 ALA H H 1 0.783 0.003 . . . 139 ALA N . 139 ALA H 28059 2 83 . 1 1 113 113 ALA N N 15 . 1 1 113 113 ALA H H 1 0.774 0.005 . . . 140 ALA N . 140 ALA H 28059 2 stop_ save_