############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_set_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_set_1 _Heteronucl_NOE_list.Entry_ID 6474 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_one _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 . _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 $sample_one . 6474 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 3 3 LEU N N 15 . 1 1 3 3 LEU H H 1 -0.200 0.122 . . . . . . . . . . 6474 1 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 -0.016 0.052 . . . . . . . . . . 6474 1 3 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.371 0.031 . . . . . . . . . . 6474 1 4 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.638 0.035 . . . . . . . . . . 6474 1 5 . 1 1 7 7 TRP N N 15 . 1 1 7 7 TRP H H 1 0.801 0.076 . . . . . . . . . . 6474 1 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.545 0.049 . . . . . . . . . . 6474 1 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.815 0.060 . . . . . . . . . . 6474 1 8 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.678 0.108 . . . . . . . . . . 6474 1 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.401 0.113 . . . . . . . . . . 6474 1 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.871 0.051 . . . . . . . . . . 6474 1 11 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.706 0.098 . . . . . . . . . . 6474 1 12 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.693 0.040 . . . . . . . . . . 6474 1 13 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.757 0.085 . . . . . . . . . . 6474 1 14 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.737 0.086 . . . . . . . . . . 6474 1 15 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.563 0.099 . . . . . . . . . . 6474 1 16 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.517 0.048 . . . . . . . . . . 6474 1 17 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.509 0.021 . . . . . . . . . . 6474 1 18 . 1 1 22 22 HIS N N 15 . 1 1 22 22 HIS H H 1 0.710 0.073 . . . . . . . . . . 6474 1 19 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.867 0.026 . . . . . . . . . . 6474 1 20 . 1 1 24 24 VAL N N 15 . 1 1 24 24 VAL H H 1 0.767 0.062 . . . . . . . . . . 6474 1 21 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.777 0.038 . . . . . . . . . . 6474 1 22 . 1 1 26 26 SER N N 15 . 1 1 26 26 SER H H 1 0.750 0.004 . . . . . . . . . . 6474 1 23 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.743 0.009 . . . . . . . . . . 6474 1 24 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.706 0.011 . . . . . . . . . . 6474 1 25 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.524 0.011 . . . . . . . . . . 6474 1 26 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.660 0.032 . . . . . . . . . . 6474 1 27 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.688 0.020 . . . . . . . . . . 6474 1 28 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.798 0.011 . . . . . . . . . . 6474 1 29 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.688 0.004 . . . . . . . . . . 6474 1 30 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.553 0.030 . . . . . . . . . . 6474 1 31 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.632 0.033 . . . . . . . . . . 6474 1 32 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.732 0.019 . . . . . . . . . . 6474 1 33 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.701 0.035 . . . . . . . . . . 6474 1 34 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.834 0.086 . . . . . . . . . . 6474 1 35 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.685 0.054 . . . . . . . . . . 6474 1 36 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.649 0.032 . . . . . . . . . . 6474 1 37 . 1 1 55 55 HIS N N 15 . 1 1 55 55 HIS H H 1 0.782 0.023 . . . . . . . . . . 6474 1 38 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.760 0.038 . . . . . . . . . . 6474 1 39 . 1 1 57 57 GLN N N 15 . 1 1 57 57 GLN H H 1 0.658 0.046 . . . . . . . . . . 6474 1 40 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.766 0.049 . . . . . . . . . . 6474 1 41 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.783 0.022 . . . . . . . . . . 6474 1 42 . 1 1 60 60 TRP N N 15 . 1 1 60 60 TRP H H 1 0.692 0.047 . . . . . . . . . . 6474 1 43 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.714 0.042 . . . . . . . . . . 6474 1 44 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.688 0.015 . . . . . . . . . . 6474 1 45 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.648 0.027 . . . . . . . . . . 6474 1 46 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.735 0.004 . . . . . . . . . . 6474 1 47 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.698 0.005 . . . . . . . . . . 6474 1 48 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.728 0.049 . . . . . . . . . . 6474 1 49 . 1 1 67 67 TRP N N 15 . 1 1 67 67 TRP H H 1 0.790 0.027 . . . . . . . . . . 6474 1 50 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.798 0.044 . . . . . . . . . . 6474 1 51 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.697 0.069 . . . . . . . . . . 6474 1 52 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.573 0.012 . . . . . . . . . . 6474 1 53 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.817 0.040 . . . . . . . . . . 6474 1 54 . 1 1 72 72 MET N N 15 . 1 1 72 72 MET H H 1 0.637 0.026 . . . . . . . . . . 6474 1 55 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.768 0.019 . . . . . . . . . . 6474 1 56 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.779 0.018 . . . . . . . . . . 6474 1 57 . 1 1 78 78 THR N N 15 . 1 1 78 78 THR H H 1 0.777 0.058 . . . . . . . . . . 6474 1 58 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.789 0.020 . . . . . . . . . . 6474 1 59 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.716 0.020 . . . . . . . . . . 6474 1 60 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.805 0.037 . . . . . . . . . . 6474 1 61 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.699 0.074 . . . . . . . . . . 6474 1 62 . 1 1 83 83 HIS N N 15 . 1 1 83 83 HIS H H 1 0.705 0.015 . . . . . . . . . . 6474 1 63 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.781 0.032 . . . . . . . . . . 6474 1 64 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.673 0.060 . . . . . . . . . . 6474 1 65 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.523 0.020 . . . . . . . . . . 6474 1 66 . 1 1 87 87 HIS N N 15 . 1 1 87 87 HIS H H 1 0.756 0.034 . . . . . . . . . . 6474 1 67 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.402 0.013 . . . . . . . . . . 6474 1 68 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.408 0.083 . . . . . . . . . . 6474 1 69 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.619 0.047 . . . . . . . . . . 6474 1 70 . 1 1 95 95 TRP N N 15 . 1 1 95 95 TRP H H 1 0.715 0.068 . . . . . . . . . . 6474 1 71 . 1 1 96 96 GLY N N 15 . 1 1 96 96 GLY H H 1 0.757 0.006 . . . . . . . . . . 6474 1 72 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.669 0.038 . . . . . . . . . . 6474 1 73 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.763 0.062 . . . . . . . . . . 6474 1 74 . 1 1 100 100 GLU N N 15 . 1 1 100 100 GLU H H 1 0.583 0.061 . . . . . . . . . . 6474 1 75 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 0.554 0.064 . . . . . . . . . . 6474 1 76 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.764 0.048 . . . . . . . . . . 6474 1 77 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.770 0.060 . . . . . . . . . . 6474 1 78 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 0.826 0.022 . . . . . . . . . . 6474 1 79 . 1 1 106 106 ILE N N 15 . 1 1 106 106 ILE H H 1 0.736 0.066 . . . . . . . . . . 6474 1 80 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.827 0.086 . . . . . . . . . . 6474 1 81 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 0.797 0.034 . . . . . . . . . . 6474 1 82 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.720 0.041 . . . . . . . . . . 6474 1 83 . 1 1 113 113 THR N N 15 . 1 1 113 113 THR H H 1 0.685 0.029 . . . . . . . . . . 6474 1 84 . 1 1 114 114 LYS N N 15 . 1 1 114 114 LYS H H 1 0.775 0.087 . . . . . . . . . . 6474 1 85 . 1 1 115 115 VAL N N 15 . 1 1 115 115 VAL H H 1 0.782 0.072 . . . . . . . . . . 6474 1 86 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.693 0.068 . . . . . . . . . . 6474 1 87 . 1 1 118 118 ARG N N 15 . 1 1 118 118 ARG H H 1 0.718 0.055 . . . . . . . . . . 6474 1 88 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.714 0.049 . . . . . . . . . . 6474 1 89 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.639 0.080 . . . . . . . . . . 6474 1 90 . 1 1 122 122 GLN N N 15 . 1 1 122 122 GLN H H 1 0.321 0.061 . . . . . . . . . . 6474 1 91 . 1 1 123 123 ASN N N 15 . 1 1 123 123 ASN H H 1 0.317 0.042 . . . . . . . . . . 6474 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_set_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_set_2 _Heteronucl_NOE_list.Entry_ID 6474 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $condition_one _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 . _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 $sample_one . 6474 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 3 3 LEU N N 15 . 1 1 3 3 LEU H H 1 -0.273 0.002 . . . . . . . . . . 6474 2 2 . 1 1 4 4 GLY N N 15 . 1 1 4 4 GLY H H 1 -0.056 0.014 . . . . . . . . . . 6474 2 3 . 1 1 5 5 SER N N 15 . 1 1 5 5 SER H H 1 0.493 0.017 . . . . . . . . . . 6474 2 4 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.814 0.017 . . . . . . . . . . 6474 2 5 . 1 1 7 7 TRP N N 15 . 1 1 7 7 TRP H H 1 0.819 0.050 . . . . . . . . . . 6474 2 6 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.812 0.020 . . . . . . . . . . 6474 2 7 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.803 0.018 . . . . . . . . . . 6474 2 8 . 1 1 10 10 LEU N N 15 . 1 1 10 10 LEU H H 1 0.786 0.020 . . . . . . . . . . 6474 2 9 . 1 1 11 11 GLU N N 15 . 1 1 11 11 GLU H H 1 0.770 0.028 . . . . . . . . . . 6474 2 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.769 0.017 . . . . . . . . . . 6474 2 11 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.809 0.003 . . . . . . . . . . 6474 2 12 . 1 1 15 15 GLY N N 15 . 1 1 15 15 GLY H H 1 0.821 0.043 . . . . . . . . . . 6474 2 13 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.835 0.047 . . . . . . . . . . 6474 2 14 . 1 1 18 18 ILE N N 15 . 1 1 18 18 ILE H H 1 0.805 0.035 . . . . . . . . . . 6474 2 15 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.735 0.046 . . . . . . . . . . 6474 2 16 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.845 0.012 . . . . . . . . . . 6474 2 17 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 0.734 0.091 . . . . . . . . . . 6474 2 18 . 1 1 22 22 HIS N N 15 . 1 1 22 22 HIS H H 1 0.835 0.054 . . . . . . . . . . 6474 2 19 . 1 1 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.835 0.087 . . . . . . . . . . 6474 2 20 . 1 1 25 25 ASN N N 15 . 1 1 25 25 ASN H H 1 0.817 0.058 . . . . . . . . . . 6474 2 21 . 1 1 27 27 THR N N 15 . 1 1 27 27 THR H H 1 0.823 0.033 . . . . . . . . . . 6474 2 22 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.764 0.008 . . . . . . . . . . 6474 2 23 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 0.592 0.006 . . . . . . . . . . 6474 2 24 . 1 1 31 31 LYS N N 15 . 1 1 31 31 LYS H H 1 0.766 0.015 . . . . . . . . . . 6474 2 25 . 1 1 32 32 LEU N N 15 . 1 1 32 32 LEU H H 1 0.775 0.011 . . . . . . . . . . 6474 2 26 . 1 1 34 34 VAL N N 15 . 1 1 34 34 VAL H H 1 0.832 0.044 . . . . . . . . . . 6474 2 27 . 1 1 35 35 LYS N N 15 . 1 1 35 35 LYS H H 1 0.801 0.004 . . . . . . . . . . 6474 2 28 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 0.811 0.025 . . . . . . . . . . 6474 2 29 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.799 0.090 . . . . . . . . . . 6474 2 30 . 1 1 42 42 SER N N 15 . 1 1 42 42 SER H H 1 0.709 0.005 . . . . . . . . . . 6474 2 31 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.794 0.050 . . . . . . . . . . 6474 2 32 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.817 0.059 . . . . . . . . . . 6474 2 33 . 1 1 46 46 LEU N N 15 . 1 1 46 46 LEU H H 1 0.782 0.014 . . . . . . . . . . 6474 2 34 . 1 1 47 47 LYS N N 15 . 1 1 47 47 LYS H H 1 0.749 0.110 . . . . . . . . . . 6474 2 35 . 1 1 50 50 GLU N N 15 . 1 1 50 50 GLU H H 1 0.732 0.064 . . . . . . . . . . 6474 2 36 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.835 0.006 . . . . . . . . . . 6474 2 37 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.779 0.007 . . . . . . . . . . 6474 2 38 . 1 1 55 55 HIS N N 15 . 1 1 55 55 HIS H H 1 0.764 0.045 . . . . . . . . . . 6474 2 39 . 1 1 56 56 ALA N N 15 . 1 1 56 56 ALA H H 1 0.803 0.011 . . . . . . . . . . 6474 2 40 . 1 1 57 57 GLN N N 15 . 1 1 57 57 GLN H H 1 0.822 0.003 . . . . . . . . . . 6474 2 41 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.802 0.012 . . . . . . . . . . 6474 2 42 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.834 0.029 . . . . . . . . . . 6474 2 43 . 1 1 60 60 TRP N N 15 . 1 1 60 60 TRP H H 1 0.780 0.013 . . . . . . . . . . 6474 2 44 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.819 0.013 . . . . . . . . . . 6474 2 45 . 1 1 62 62 SER N N 15 . 1 1 62 62 SER H H 1 0.823 0.006 . . . . . . . . . . 6474 2 46 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.724 0.009 . . . . . . . . . . 6474 2 47 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.788 0.010 . . . . . . . . . . 6474 2 48 . 1 1 65 65 PHE N N 15 . 1 1 65 65 PHE H H 1 0.792 0.042 . . . . . . . . . . 6474 2 49 . 1 1 66 66 LYS N N 15 . 1 1 66 66 LYS H H 1 0.812 0.064 . . . . . . . . . . 6474 2 50 . 1 1 67 67 TRP N N 15 . 1 1 67 67 TRP H H 1 0.808 0.035 . . . . . . . . . . 6474 2 51 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.810 0.001 . . . . . . . . . . 6474 2 52 . 1 1 69 69 LEU N N 15 . 1 1 69 69 LEU H H 1 0.828 0.016 . . . . . . . . . . 6474 2 53 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.789 0.012 . . . . . . . . . . 6474 2 54 . 1 1 71 71 ASP N N 15 . 1 1 71 71 ASP H H 1 0.852 0.022 . . . . . . . . . . 6474 2 55 . 1 1 72 72 MET N N 15 . 1 1 72 72 MET H H 1 0.709 0.007 . . . . . . . . . . 6474 2 56 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.774 0.060 . . . . . . . . . . 6474 2 57 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 0.853 0.010 . . . . . . . . . . 6474 2 58 . 1 1 76 76 ASN N N 15 . 1 1 76 76 ASN H H 1 0.868 0.018 . . . . . . . . . . 6474 2 59 . 1 1 77 77 GLY N N 15 . 1 1 77 77 GLY H H 1 0.832 0.007 . . . . . . . . . . 6474 2 60 . 1 1 78 78 THR N N 15 . 1 1 78 78 THR H H 1 0.806 0.076 . . . . . . . . . . 6474 2 61 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.828 0.012 . . . . . . . . . . 6474 2 62 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.829 0.021 . . . . . . . . . . 6474 2 63 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.821 0.035 . . . . . . . . . . 6474 2 64 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.850 0.023 . . . . . . . . . . 6474 2 65 . 1 1 83 83 HIS N N 15 . 1 1 83 83 HIS H H 1 0.805 0.013 . . . . . . . . . . 6474 2 66 . 1 1 84 84 SER N N 15 . 1 1 84 84 SER H H 1 0.837 0.021 . . . . . . . . . . 6474 2 67 . 1 1 85 85 ILE N N 15 . 1 1 85 85 ILE H H 1 0.842 0.004 . . . . . . . . . . 6474 2 68 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.824 0.007 . . . . . . . . . . 6474 2 69 . 1 1 87 87 HIS N N 15 . 1 1 87 87 HIS H H 1 0.828 0.016 . . . . . . . . . . 6474 2 70 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.738 0.010 . . . . . . . . . . 6474 2 71 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.516 0.0004648 . . . . . . . . . . 6474 2 72 . 1 1 92 92 SER N N 15 . 1 1 92 92 SER H H 1 0.764 0.009 . . . . . . . . . . 6474 2 73 . 1 1 93 93 ARG N N 15 . 1 1 93 93 ARG H H 1 0.774 0.005 . . . . . . . . . . 6474 2 74 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.751 0.004 . . . . . . . . . . 6474 2 75 . 1 1 95 95 TRP N N 15 . 1 1 95 95 TRP H H 1 0.785 0.0007224 . . . . . . . . . . 6474 2 76 . 1 1 96 96 GLY N N 15 . 1 1 96 96 GLY H H 1 0.820 0.013 . . . . . . . . . . 6474 2 77 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.811 0.030 . . . . . . . . . . 6474 2 78 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 0.807 0.013 . . . . . . . . . . 6474 2 79 . 1 1 100 100 GLU N N 15 . 1 1 100 100 GLU H H 1 0.715 0.045 . . . . . . . . . . 6474 2 80 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 0.819 0.010 . . . . . . . . . . 6474 2 81 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.770 0.051 . . . . . . . . . . 6474 2 82 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.807 0.030 . . . . . . . . . . 6474 2 83 . 1 1 104 104 ASP N N 15 . 1 1 104 104 ASP H H 1 0.841 0.029 . . . . . . . . . . 6474 2 84 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 0.810 0.035 . . . . . . . . . . 6474 2 85 . 1 1 106 106 ILE N N 15 . 1 1 106 106 ILE H H 1 0.798 0.001 . . . . . . . . . . 6474 2 86 . 1 1 107 107 ILE N N 15 . 1 1 107 107 ILE H H 1 0.859 0.050 . . . . . . . . . . 6474 2 87 . 1 1 108 108 THR N N 15 . 1 1 108 108 THR H H 1 0.816 0.006 . . . . . . . . . . 6474 2 88 . 1 1 109 109 LEU N N 15 . 1 1 109 109 LEU H H 1 0.824 0.021 . . . . . . . . . . 6474 2 89 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.806 0.025 . . . . . . . . . . 6474 2 90 . 1 1 112 112 THR N N 15 . 1 1 112 112 THR H H 1 0.771 0.040 . . . . . . . . . . 6474 2 91 . 1 1 114 114 LYS N N 15 . 1 1 114 114 LYS H H 1 0.820 0.038 . . . . . . . . . . 6474 2 92 . 1 1 115 115 VAL N N 15 . 1 1 115 115 VAL H H 1 0.820 0.018 . . . . . . . . . . 6474 2 93 . 1 1 116 116 TYR N N 15 . 1 1 116 116 TYR H H 1 0.824 0.059 . . . . . . . . . . 6474 2 94 . 1 1 117 117 VAL N N 15 . 1 1 117 117 VAL H H 1 0.835 0.069 . . . . . . . . . . 6474 2 95 . 1 1 118 118 ARG N N 15 . 1 1 118 118 ARG H H 1 0.805 0.023 . . . . . . . . . . 6474 2 96 . 1 1 120 120 SER N N 15 . 1 1 120 120 SER H H 1 0.789 0.060 . . . . . . . . . . 6474 2 97 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 0.708 0.044 . . . . . . . . . . 6474 2 98 . 1 1 122 122 GLN N N 15 . 1 1 122 122 GLN H H 1 0.613 0.024 . . . . . . . . . . 6474 2 99 . 1 1 123 123 ASN N N 15 . 1 1 123 123 ASN H H 1 0.729 0.003 . . . . . . . . . . 6474 2 100 . 1 1 124 124 GLU N N 15 . 1 1 124 124 GLU H H 1 -0.039 0.012 . . . . . . . . . . 6474 2 stop_ save_