############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51415 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'BD1 15N-NOE 600' _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 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 10 '1H-15N heteronoe' . . . 51415 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 3 $software_3 . . 51415 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 1 1 ASN N N 15 . 1 1 1 1 ASN H H 1 -0.7612 0.18313 . . . 44 ASN N . 44 ASN H 51415 1 2 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 -0.1776 0.036693 . . . 49 GLU N . 49 GLU H 51415 1 3 . 1 1 9 9 ASN N N 15 . 1 1 9 9 ASN H H 1 0.6136 0.17281 . . . 52 ASN N . 52 ASN H 51415 1 4 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.252 0.070443 . . . 54 ASN N . 54 ASN H 51415 1 5 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.711 0.090909 . . . 55 LYS N . 55 LYS H 51415 1 6 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.3569 0.049222 . . . 57 LYS N . 57 LYS H 51415 1 7 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 0.4968 0.084797 . . . 58 ARG N . 58 ARG H 51415 1 8 . 1 1 18 18 ASN N N 15 . 1 1 18 18 ASN H H 1 0.7767 0.18579 . . . 61 ASN N . 61 ASN H 51415 1 9 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.6407 0.13128 . . . 62 GLN N . 62 GLN H 51415 1 10 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.6724 0.097254 . . . 65 TYR N . 65 TYR H 51415 1 11 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.7438 0.081419 . . . 66 LEU N . 66 LEU H 51415 1 12 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.8348 0.10758 . . . 68 ARG N . 68 ARG H 51415 1 13 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.7986 0.051755 . . . 69 VAL N . 69 VAL H 51415 1 14 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.906 0.082421 . . . 70 VAL N . 70 VAL H 51415 1 15 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.7852 0.072156 . . . 71 LEU N . 71 LEU H 51415 1 16 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 1.0266 0.1035 . . . 72 LYS N . 72 LYS H 51415 1 17 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.91 0.076712 . . . 73 THR N . 73 THR H 51415 1 18 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.7932 0.07972 . . . 74 LEU N . 74 LEU H 51415 1 19 . 1 1 32 32 TRP N N 15 . 1 1 32 32 TRP H H 1 0.7165 0.061385 . . . 75 TRP N . 75 TRP H 51415 1 20 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.6714 0.070196 . . . 76 LYS N . 76 LYS H 51415 1 21 . 1 1 34 34 HIS N N 15 . 1 1 34 34 HIS H H 1 0.7367 0.058971 . . . 77 HIS N . 77 HIS H 51415 1 22 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.7858 0.068903 . . . 78 GLN N . 78 GLN H 51415 1 23 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 1.0815 0.12483 . . . 79 PHE N . 79 PHE H 51415 1 24 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.8064 0.051732 . . . 80 ALA N . 80 ALA H 51415 1 25 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.9298 0.1661 . . . 83 PHE N . 83 PHE H 51415 1 26 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.7959 0.056105 . . . 85 GLN N . 85 GLN H 51415 1 27 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.8007 0.08168 . . . 87 VAL N . 87 VAL H 51415 1 28 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.7238 0.10162 . . . 89 ALA N . 89 ALA H 51415 1 29 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.3478 0.10133 . . . 91 LYS N . 91 LYS H 51415 1 30 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 0.7523 0.053452 . . . 93 ASN N . 93 ASN H 51415 1 31 . 1 1 54 54 TYR N N 15 . 1 1 54 54 TYR H H 1 0.7759 0.11708 . . . 97 TYR N . 97 TYR H 51415 1 32 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 0.9121 0.12745 . . . 99 LYS N . 99 LYS H 51415 1 33 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.6646 0.079581 . . . 100 ILE N . 100 ILE H 51415 1 34 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.9077 0.082046 . . . 101 ILE N . 101 ILE H 51415 1 35 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.6642 0.072239 . . . 102 LYS N . 102 LYS H 51415 1 36 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.7617 0.070824 . . . 103 THR N . 103 THR H 51415 1 37 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 1.0022 0.10191 . . . 106 ASP N . 106 ASP H 51415 1 38 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.7868 0.094362 . . . 107 MET N . 107 MET H 51415 1 39 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.7513 0.10569 . . . 108 GLY N . 108 GLY H 51415 1 40 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.8912 0.084489 . . . 110 ILE N . 110 ILE H 51415 1 41 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.7964 0.064629 . . . 111 LYS N . 111 LYS H 51415 1 42 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.8387 0.099066 . . . 112 LYS N . 112 LYS H 51415 1 43 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.7451 0.10075 . . . 113 ARG N . 113 ARG H 51415 1 44 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.8176 0.069559 . . . 114 LEU N . 114 LEU H 51415 1 45 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.6483 0.07977 . . . 115 GLU N . 115 GLU H 51415 1 46 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.8012 0.14393 . . . 116 ASN N . 116 ASN H 51415 1 47 . 1 1 74 74 ASN N N 15 . 1 1 74 74 ASN H H 1 0.6418 0.088341 . . . 117 ASN N . 117 ASN H 51415 1 48 . 1 1 75 75 TYR N N 15 . 1 1 75 75 TYR H H 1 0.7526 0.084912 . . . 118 TYR N . 118 TYR H 51415 1 49 . 1 1 76 76 TYR N N 15 . 1 1 76 76 TYR H H 1 0.8056 0.073873 . . . 119 TYR N . 119 TYR H 51415 1 50 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.8279 0.10326 . . . 120 TRP N . 120 TRP H 51415 1 51 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.6745 0.065848 . . . 123 GLN N . 123 GLN H 51415 1 52 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.8114 0.074091 . . . 125 CYS N . 125 CYS H 51415 1 53 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 0.8287 0.091409 . . . 126 ILE N . 126 ILE H 51415 1 54 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN H H 1 0.9847 0.073851 . . . 127 GLN N . 127 GLN H 51415 1 55 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.9338 0.068143 . . . 128 ASP N . 128 ASP H 51415 1 56 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.7485 0.056441 . . . 130 ASN N . 130 ASN H 51415 1 57 . 1 1 89 89 MET N N 15 . 1 1 89 89 MET H H 1 0.9998 0.095039 . . . 132 MET N . 132 MET H 51415 1 58 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.8675 0.10919 . . . 134 THR N . 134 THR H 51415 1 59 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.9648 0.073404 . . . 135 ASN N . 135 ASN H 51415 1 60 . 1 1 93 93 CYS N N 15 . 1 1 93 93 CYS H H 1 0.946 0.093333 . . . 136 CYS N . 136 CYS H 51415 1 61 . 1 1 101 101 ASP N N 15 . 1 1 101 101 ASP H H 1 0.655 0.085608 . . . 144 ASP N . 144 ASP H 51415 1 62 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.8406 0.10163 . . . 147 VAL N . 147 VAL H 51415 1 63 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.7683 0.080079 . . . 151 GLU N . 151 GLU H 51415 1 64 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.9431 0.07357 . . . 152 ALA N . 152 ALA H 51415 1 65 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.91 0.12428 . . . 154 GLU N . 154 GLU H 51415 1 66 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.7645 0.044426 . . . 155 LYS N . 155 LYS H 51415 1 67 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.999 0.083168 . . . 156 LEU N . 156 LEU H 51415 1 68 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.945 0.063757 . . . 157 PHE N . 157 PHE H 51415 1 69 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.761 0.068477 . . . 158 LEU N . 158 LEU H 51415 1 70 . 1 1 116 116 GLN N N 15 . 1 1 116 116 GLN H H 1 0.8194 0.035387 . . . 159 GLN N . 159 GLN H 51415 1 71 . 1 1 117 117 LYS N N 15 . 1 1 117 117 LYS H H 1 0.8682 0.089672 . . . 160 LYS N . 160 LYS H 51415 1 72 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.788 0.07367 . . . 161 ILE N . 161 ILE H 51415 1 73 . 1 1 119 119 ASN N N 15 . 1 1 119 119 ASN H H 1 0.8409 0.059341 . . . 162 ASN N . 162 ASN H 51415 1 74 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.603 0.056516 . . . 163 GLU N . 163 GLU H 51415 1 75 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.6111 0.046614 . . . 164 LEU N . 164 LEU H 51415 1 76 . 1 1 123 123 THR N N 15 . 1 1 123 123 THR H H 1 0.6279 0.063808 . . . 166 THR N . 166 THR H 51415 1 77 . 1 1 124 124 GLU N N 15 . 1 1 124 124 GLU H H 1 0.4297 0.04818 . . . 167 GLU N . 167 GLU H 51415 1 78 . 1 1 125 125 GLU N N 15 . 1 1 125 125 GLU H H 1 0.302 0.050051 . . . 168 GLU N . 168 GLU H 51415 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2 _Heteronucl_NOE_list.Entry_ID 51415 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name 'BD1 15N-NOE 800' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 11 '1H-15N heteronoe' . . . 51415 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 3 $software_3 . . 51415 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 1 1 ASN N N 15 . 1 1 1 1 ASN H H 1 -0.4503 0.081609 . . . 44 ASN N . 44 ASN H 51415 2 2 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 0.2643 0.027495 . . . 49 GLU N . 49 GLU H 51415 2 3 . 1 1 9 9 ASN N N 15 . 1 1 9 9 ASN H H 1 0.8009 0.15196 . . . 52 ASN N . 52 ASN H 51415 2 4 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.3609 0.045844 . . . 54 ASN N . 54 ASN H 51415 2 5 . 1 1 12 12 LYS N N 15 . 1 1 12 12 LYS H H 1 0.7444 0.071249 . . . 55 LYS N . 55 LYS H 51415 2 6 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.4995 0.037821 . . . 57 LYS N . 57 LYS H 51415 2 7 . 1 1 15 15 ARG N N 15 . 1 1 15 15 ARG H H 1 0.681 0.099593 . . . 58 ARG N . 58 ARG H 51415 2 8 . 1 1 18 18 ASN N N 15 . 1 1 18 18 ASN H H 1 0.7325 0.076322 . . . 61 ASN N . 61 ASN H 51415 2 9 . 1 1 19 19 GLN N N 15 . 1 1 19 19 GLN H H 1 0.8675 0.11855 . . . 62 GLN N . 62 GLN H 51415 2 10 . 1 1 21 21 GLN N N 15 . 1 1 21 21 GLN H H 1 1.1201 0.22195 . . . 64 GLN N . 64 GLN H 51415 2 11 . 1 1 22 22 TYR N N 15 . 1 1 22 22 TYR H H 1 0.8886 0.06528 . . . 65 TYR N . 65 TYR H 51415 2 12 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 0.8159 0.063623 . . . 66 LEU N . 66 LEU H 51415 2 13 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.9436 0.08004 . . . 68 ARG N . 68 ARG H 51415 2 14 . 1 1 26 26 VAL N N 15 . 1 1 26 26 VAL H H 1 0.8568 0.039622 . . . 69 VAL N . 69 VAL H 51415 2 15 . 1 1 27 27 VAL N N 15 . 1 1 27 27 VAL H H 1 0.7229 0.053138 . . . 70 VAL N . 70 VAL H 51415 2 16 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.8357 0.051503 . . . 71 LEU N . 71 LEU H 51415 2 17 . 1 1 29 29 LYS N N 15 . 1 1 29 29 LYS H H 1 0.8056 0.043882 . . . 72 LYS N . 72 LYS H 51415 2 18 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.8456 0.040123 . . . 73 THR N . 73 THR H 51415 2 19 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.7941 0.045207 . . . 74 LEU N . 74 LEU H 51415 2 20 . 1 1 32 32 TRP N N 15 . 1 1 32 32 TRP H H 1 0.8252 0.053529 . . . 75 TRP N . 75 TRP H 51415 2 21 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.7724 0.043682 . . . 76 LYS N . 76 LYS H 51415 2 22 . 1 1 34 34 HIS N N 15 . 1 1 34 34 HIS H H 1 0.8373 0.040379 . . . 77 HIS N . 77 HIS H 51415 2 23 . 1 1 35 35 GLN N N 15 . 1 1 35 35 GLN H H 1 0.903 0.05746 . . . 78 GLN N . 78 GLN H 51415 2 24 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.6882 0.12246 . . . 79 PHE N . 79 PHE H 51415 2 25 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.9532 0.048311 . . . 80 ALA N . 80 ALA H 51415 2 26 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.6755 0.09769 . . . 83 PHE N . 83 PHE H 51415 2 27 . 1 1 42 42 GLN N N 15 . 1 1 42 42 GLN H H 1 0.7254 0.030296 . . . 85 GLN N . 85 GLN H 51415 2 28 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.931 0.07856 . . . 87 VAL N . 87 VAL H 51415 2 29 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 0.5765 0.088424 . . . 89 ALA N . 89 ALA H 51415 2 30 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.4217 0.090743 . . . 91 LYS N . 91 LYS H 51415 2 31 . 1 1 50 50 ASN N N 15 . 1 1 50 50 ASN H H 1 0.8202 0.040783 . . . 93 ASN N . 93 ASN H 51415 2 32 . 1 1 54 54 TYR N N 15 . 1 1 54 54 TYR H H 1 1.1596 0.2718 . . . 97 TYR N . 97 TYR H 51415 2 33 . 1 1 56 56 LYS N N 15 . 1 1 56 56 LYS H H 1 1.1283 0.15576 . . . 99 LYS N . 99 LYS H 51415 2 34 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.9313 0.079842 . . . 100 ILE N . 100 ILE H 51415 2 35 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.7946 0.069885 . . . 101 ILE N . 101 ILE H 51415 2 36 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.7566 0.0628 . . . 102 LYS N . 102 LYS H 51415 2 37 . 1 1 60 60 THR N N 15 . 1 1 60 60 THR H H 1 0.8146 0.050422 . . . 103 THR N . 103 THR H 51415 2 38 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.9796 0.050149 . . . 106 ASP N . 106 ASP H 51415 2 39 . 1 1 64 64 MET N N 15 . 1 1 64 64 MET H H 1 0.7604 0.063291 . . . 107 MET N . 107 MET H 51415 2 40 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.8395 0.07953 . . . 108 GLY N . 108 GLY H 51415 2 41 . 1 1 67 67 ILE N N 15 . 1 1 67 67 ILE H H 1 0.8138 0.047147 . . . 110 ILE N . 110 ILE H 51415 2 42 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.8298 0.049907 . . . 111 LYS N . 111 LYS H 51415 2 43 . 1 1 69 69 LYS N N 15 . 1 1 69 69 LYS H H 1 0.8533 0.060623 . . . 112 LYS N . 112 LYS H 51415 2 44 . 1 1 70 70 ARG N N 15 . 1 1 70 70 ARG H H 1 0.8601 0.099241 . . . 113 ARG N . 113 ARG H 51415 2 45 . 1 1 71 71 LEU N N 15 . 1 1 71 71 LEU H H 1 0.9275 0.071802 . . . 114 LEU N . 114 LEU H 51415 2 46 . 1 1 72 72 GLU N N 15 . 1 1 72 72 GLU H H 1 0.8388 0.0785 . . . 115 GLU N . 115 GLU H 51415 2 47 . 1 1 73 73 ASN N N 15 . 1 1 73 73 ASN H H 1 0.9242 0.12129 . . . 116 ASN N . 116 ASN H 51415 2 48 . 1 1 74 74 ASN N N 15 . 1 1 74 74 ASN H H 1 0.8954 0.097105 . . . 117 ASN N . 117 ASN H 51415 2 49 . 1 1 75 75 TYR N N 15 . 1 1 75 75 TYR H H 1 0.8601 0.084889 . . . 118 TYR N . 118 TYR H 51415 2 50 . 1 1 76 76 TYR N N 15 . 1 1 76 76 TYR H H 1 0.8572 0.06236 . . . 119 TYR N . 119 TYR H 51415 2 51 . 1 1 77 77 TRP N N 15 . 1 1 77 77 TRP H H 1 0.776 0.071876 . . . 120 TRP N . 120 TRP H 51415 2 52 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.8924 0.069064 . . . 123 GLN N . 123 GLN H 51415 2 53 . 1 1 82 82 CYS N N 15 . 1 1 82 82 CYS H H 1 0.7734 0.039446 . . . 125 CYS N . 125 CYS H 51415 2 54 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 0.8744 0.05954 . . . 126 ILE N . 126 ILE H 51415 2 55 . 1 1 84 84 GLN N N 15 . 1 1 84 84 GLN H H 1 0.8839 0.042873 . . . 127 GLN N . 127 GLN H 51415 2 56 . 1 1 85 85 ASP N N 15 . 1 1 85 85 ASP H H 1 0.8943 0.048089 . . . 128 ASP N . 128 ASP H 51415 2 57 . 1 1 87 87 ASN N N 15 . 1 1 87 87 ASN H H 1 0.8857 0.047508 . . . 130 ASN N . 130 ASN H 51415 2 58 . 1 1 89 89 MET N N 15 . 1 1 89 89 MET H H 1 0.8902 0.072799 . . . 132 MET N . 132 MET H 51415 2 59 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.8757 0.078923 . . . 134 THR N . 134 THR H 51415 2 60 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.903 0.048019 . . . 135 ASN N . 135 ASN H 51415 2 61 . 1 1 93 93 CYS N N 15 . 1 1 93 93 CYS H H 1 0.8106 0.025687 . . . 136 CYS N . 136 CYS H 51415 2 62 . 1 1 101 101 ASP N N 15 . 1 1 101 101 ASP H H 1 0.8254 0.03749 . . . 144 ASP N . 144 ASP H 51415 2 63 . 1 1 104 104 VAL N N 15 . 1 1 104 104 VAL H H 1 0.8979 0.054272 . . . 147 VAL N . 147 VAL H 51415 2 64 . 1 1 108 108 GLU N N 15 . 1 1 108 108 GLU H H 1 0.8996 0.051759 . . . 151 GLU N . 151 GLU H 51415 2 65 . 1 1 109 109 ALA N N 15 . 1 1 109 109 ALA H H 1 0.7951 0.04067 . . . 152 ALA N . 152 ALA H 51415 2 66 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.9847 0.07481 . . . 154 GLU N . 154 GLU H 51415 2 67 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.8686 0.046033 . . . 155 LYS N . 155 LYS H 51415 2 68 . 1 1 113 113 LEU N N 15 . 1 1 113 113 LEU H H 1 0.8186 0.037687 . . . 156 LEU N . 156 LEU H 51415 2 69 . 1 1 114 114 PHE N N 15 . 1 1 114 114 PHE H H 1 0.8388 0.039346 . . . 157 PHE N . 157 PHE H 51415 2 70 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.8736 0.05804 . . . 158 LEU N . 158 LEU H 51415 2 71 . 1 1 116 116 GLN N N 15 . 1 1 116 116 GLN H H 1 0.8746 0.038509 . . . 159 GLN N . 159 GLN H 51415 2 72 . 1 1 117 117 LYS N N 15 . 1 1 117 117 LYS H H 1 0.8956 0.05366 . . . 160 LYS N . 160 LYS H 51415 2 73 . 1 1 118 118 ILE N N 15 . 1 1 118 118 ILE H H 1 0.9308 0.066963 . . . 161 ILE N . 161 ILE H 51415 2 74 . 1 1 119 119 ASN N N 15 . 1 1 119 119 ASN H H 1 0.7476 0.039793 . . . 162 ASN N . 162 ASN H 51415 2 75 . 1 1 120 120 GLU N N 15 . 1 1 120 120 GLU H H 1 0.7224 0.038177 . . . 163 GLU N . 163 GLU H 51415 2 76 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.7003 0.03009 . . . 164 LEU N . 164 LEU H 51415 2 77 . 1 1 123 123 THR N N 15 . 1 1 123 123 THR H H 1 0.669 0.041021 . . . 166 THR N . 166 THR H 51415 2 78 . 1 1 124 124 GLU N N 15 . 1 1 124 124 GLU H H 1 0.5311 0.040567 . . . 167 GLU N . 167 GLU H 51415 2 79 . 1 1 125 125 GLU N N 15 . 1 1 125 125 GLU H H 1 0.4706 0.040295 . . . 168 GLU N . 168 GLU H 51415 2 stop_ save_