############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_cChim500 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_cChim500 _Heteronucl_NOE_list.Entry_ID 25034 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 20000000 _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 1 '2D 1H-15N HSQC' . . . 25034 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 $NMRView . . 25034 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 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.618342262219 0.091 . . . 7 ALA N . 7 ALA H 25034 1 2 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.863039901618 0.229 . . . 8 ALA N . 8 ALA H 25034 1 3 . 1 1 25 25 VAL N N 15 . 1 1 25 25 VAL H H 1 0.644136462472 0.079 . . . 9 VAL N . 9 VAL H 25034 1 4 . 1 1 26 26 GLU N N 15 . 1 1 26 26 GLU H H 1 0.678278502599 0.108 . . . 10 GLU N . 10 GLU H 25034 1 5 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.532618102639 0.127 . . . 11 GLN N . 11 GLN H 25034 1 6 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.688148017949 0.123 . . . 12 LEU N . 12 LEU H 25034 1 7 . 1 1 29 29 THR N N 15 . 1 1 29 29 THR H H 1 0.714131672685 0.112 . . . 13 THR N . 13 THR H 25034 1 8 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.787837508484 0.157 . . . 14 GLU N . 14 GLU H 25034 1 9 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.685588022945 0.151 . . . 15 GLU N . 15 GLU H 25034 1 10 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.759201339522 0.153 . . . 16 GLN N . 16 GLN H 25034 1 11 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.638975040849 0.172 . . . 17 LYS N . 17 LYS H 25034 1 12 . 1 1 34 34 ASN N N 15 . 1 1 34 34 ASN H H 1 0.758214121985 0.132 . . . 18 ASN N . 18 ASN H 25034 1 13 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.721164366579 0.102 . . . 19 GLU N . 19 GLU H 25034 1 14 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.801023291369 0.213 . . . 20 PHE N . 20 PHE H 25034 1 15 . 1 1 37 37 LYS N N 15 . 1 1 37 37 LYS H H 1 0.795057593182 0.232 . . . 21 LYS N . 21 LYS H 25034 1 16 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.722389160803 0.083 . . . 22 ALA N . 22 ALA H 25034 1 17 . 1 1 39 39 ALA N N 15 . 1 1 39 39 ALA H H 1 0.597549934507 0.128 . . . 23 ALA N . 23 ALA H 25034 1 18 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.787837508484 0.157 . . . 24 PHE N . 24 PHE H 25034 1 19 . 1 1 41 41 ASP N N 15 . 1 1 41 41 ASP H H 1 0.790552899076 0.174 . . . 25 ASP N . 25 ASP H 25034 1 20 . 1 1 42 42 ILE N N 15 . 1 1 42 42 ILE H H 1 0.808165083385 0.153 . . . 26 ILE N . 26 ILE H 25034 1 21 . 1 1 43 43 PHE N N 15 . 1 1 43 43 PHE H H 1 0.82063745751 0.551 . . . 27 PHE N . 27 PHE H 25034 1 22 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.774776467434 0.367 . . . 28 VAL N . 28 VAL H 25034 1 23 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.816744914114 0.204 . . . 29 LEU N . 29 LEU H 25034 1 24 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.700228998161 0.151 . . . 31 ALA N . 31 ALA H 25034 1 25 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.449223606606 0.396 . . . 32 GLU N . 32 GLU H 25034 1 26 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.543726631792 0.163 . . . 33 ASP N . 33 ASP H 25034 1 27 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.919192290347 0.278 . . . 34 GLY N . 34 GLY H 25034 1 28 . 1 1 51 51 SER N N 15 . 1 1 51 51 SER H H 1 0.818909192371 0.155 . . . 35 SER N . 35 SER H 25034 1 29 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.769841446127 0.221 . . . 36 ILE N . 36 ILE H 25034 1 30 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.728387172343 0.371 . . . 37 SER N . 37 SER H 25034 1 31 . 1 1 54 54 THR N N 15 . 1 1 54 54 THR H H 1 0.702718442097 0.198 . . . 38 THR N . 38 THR H 25034 1 32 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.790724646178 0.211 . . . 39 LYS N . 39 LYS H 25034 1 33 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.84331840012 0.21 . . . 40 GLU N . 40 GLU H 25034 1 34 . 1 1 57 57 LEU N N 15 . 1 1 57 57 LEU H H 1 0.717962927125 0.206 . . . 41 LEU N . 41 LEU H 25034 1 35 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 0.749407112314 0.197 . . . 42 GLY N . 42 GLY H 25034 1 36 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.767384951812 0.159 . . . 43 LYS N . 43 LYS H 25034 1 37 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.779220734577 0.192 . . . 44 VAL N . 44 VAL H 25034 1 38 . 1 1 61 61 MET N N 15 . 1 1 61 61 MET H H 1 0.794523155553 0.205 . . . 45 MET N . 45 MET H 25034 1 39 . 1 1 62 62 ARG N N 15 . 1 1 62 62 ARG H H 1 0.72207358686 0.094 . . . 46 ARG N . 46 ARG H 25034 1 40 . 1 1 63 63 MET N N 15 . 1 1 63 63 MET H H 1 0.744520170688 0.176 . . . 47 MET N . 47 MET H 25034 1 41 . 1 1 64 64 LEU N N 15 . 1 1 64 64 LEU H H 1 0.696247024179 0.177 . . . 48 LEU N . 48 LEU H 25034 1 42 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.71979827813 0.133 . . . 49 GLY N . 49 GLY H 25034 1 43 . 1 1 66 66 GLN N N 15 . 1 1 66 66 GLN H H 1 0.674372436877 0.081 . . . 50 GLN N . 50 GLN H 25034 1 44 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.864754032693 0.781 . . . 51 ASN N . 51 ASN H 25034 1 45 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.676840255235 0.115 . . . 53 THR N . 53 THR H 25034 1 46 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.747511312884 0.141 . . . 55 GLU N . 55 GLU H 25034 1 47 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.611999679319 0.098 . . . 57 LEU N . 57 LEU H 25034 1 48 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.674372436877 0.081 . . . 58 GLN N . 58 GLN H 25034 1 49 . 1 1 75 75 GLU N N 15 . 1 1 75 75 GLU H H 1 0.704442348663 0.116 . . . 59 GLU N . 59 GLU H 25034 1 50 . 1 1 76 76 MET N N 15 . 1 1 76 76 MET H H 1 0.836981771427 0.227 . . . 60 MET N . 60 MET H 25034 1 51 . 1 1 77 77 ILE N N 15 . 1 1 77 77 ILE H H 1 0.72588376407 0.301 . . . 61 ILE N . 61 ILE H 25034 1 52 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.742393749681 0.206 . . . 62 ASP N . 62 ASP H 25034 1 53 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.787073817912 0.149 . . . 63 GLU N . 63 GLU H 25034 1 54 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.894073009413 0.451 . . . 64 VAL N . 64 VAL H 25034 1 55 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 0.875642628585 0.293 . . . 65 ASP N . 65 ASP H 25034 1 56 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.588835276168 0.182 . . . 66 GLU N . 66 GLU H 25034 1 57 . 1 1 83 83 ASP N N 15 . 1 1 83 83 ASP H H 1 0.818588963507 0.179 . . . 67 ASP N . 67 ASP H 25034 1 58 . 1 1 84 84 GLY N N 15 . 1 1 84 84 GLY H H 1 0.702127334252 0.147 . . . 68 GLY N . 68 GLY H 25034 1 59 . 1 1 85 85 SER N N 15 . 1 1 85 85 SER H H 1 0.91180812997 0.166 . . . 69 SER N . 69 SER H 25034 1 60 . 1 1 86 86 GLY N N 15 . 1 1 86 86 GLY H H 1 0.778988257925 0.211 . . . 70 GLY N . 70 GLY H 25034 1 61 . 1 1 87 87 THR N N 15 . 1 1 87 87 THR H H 1 0.737777594698 0.2 . . . 71 THR N . 71 THR H 25034 1 62 . 1 1 88 88 VAL N N 15 . 1 1 88 88 VAL H H 1 0.699596120221 0.223 . . . 72 VAL N . 72 VAL H 25034 1 63 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.602867664161 0.197 . . . 73 ASP N . 73 ASP H 25034 1 64 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.739630399633 0.13 . . . 74 PHE N . 74 PHE H 25034 1 65 . 1 1 91 91 ASP N N 15 . 1 1 91 91 ASP H H 1 0.865234216762 0.221 . . . 75 ASP N . 75 ASP H 25034 1 66 . 1 1 92 92 GLU N N 15 . 1 1 92 92 GLU H H 1 0.660676875337 0.14 . . . 76 GLU N . 76 GLU H 25034 1 67 . 1 1 93 93 PHE N N 15 . 1 1 93 93 PHE H H 1 0.935491992768 0.293 . . . 77 PHE N . 77 PHE H 25034 1 68 . 1 1 94 94 LEU N N 15 . 1 1 94 94 LEU H H 1 0.814958005591 0.263 . . . 78 LEU N . 78 LEU H 25034 1 69 . 1 1 95 95 VAL N N 15 . 1 1 95 95 VAL H H 1 0.806487803101 0.256 . . . 79 VAL N . 79 VAL H 25034 1 70 . 1 1 96 96 MET N N 15 . 1 1 96 96 MET H H 1 0.758619483086 0.106 . . . 80 MET N . 80 MET H 25034 1 71 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.634416923792 0.178 . . . 82 VAL N . 82 VAL H 25034 1 72 . 1 1 100 100 CYS N N 15 . 1 1 100 100 CYS H H 1 0.679606527702 0.213 . . . 84 CYS N . 84 CYS H 25034 1 73 . 1 1 101 101 MET N N 15 . 1 1 101 101 MET H H 1 0.5804480099 0.162 . . . 85 MET N . 85 MET H 25034 1 74 . 1 1 102 102 LYS N N 15 . 1 1 102 102 LYS H H 1 0.63768796947 0.147 . . . 86 LYS N . 86 LYS H 25034 1 75 . 1 1 114 114 VAL N N 15 . 1 1 114 114 VAL H H 1 0.697913213616 0.249 . . . 146 VAL N . 146 VAL H 25034 1 76 . 1 1 115 115 ARG N N 15 . 1 1 115 115 ARG H H 1 0.579710879605 0.208 . . . 147 ARG N . 147 ARG H 25034 1 77 . 1 1 116 116 ILE N N 15 . 1 1 116 116 ILE H H 1 0.653305267647 0.251 . . . 148 ILE N . 148 ILE H 25034 1 78 . 1 1 118 118 ALA N N 15 . 1 1 118 118 ALA H H 1 0.782618992324 0.392 . . . 150 ALA N . 150 ALA H 25034 1 79 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 0.832908127179 0.19 . . . 151 ASP N . 151 ASP H 25034 1 80 . 1 1 120 120 ALA N N 15 . 1 1 120 120 ALA H H 1 0.828613795595 0.224 . . . 152 ALA N . 152 ALA H 25034 1 81 . 1 1 121 121 MET N N 15 . 1 1 121 121 MET H H 1 0.648422210558 0.153 . . . 153 MET N . 153 MET H 25034 1 82 . 1 1 122 122 MET N N 15 . 1 1 122 122 MET H H 1 0.682744285925 0.185 . . . 154 MET N . 154 MET H 25034 1 83 . 1 1 123 123 GLN N N 15 . 1 1 123 123 GLN H H 1 0.735911902832 0.135 . . . 155 GLN N . 155 GLN H 25034 1 84 . 1 1 124 124 ALA N N 15 . 1 1 124 124 ALA H H 1 0.655048897826 0.137 . . . 156 ALA N . 156 ALA H 25034 1 85 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.758262708314 0.258 . . . 157 LEU N . 157 LEU H 25034 1 86 . 1 1 126 126 LEU N N 15 . 1 1 126 126 LEU H H 1 0.826867177114 0.239 . . . 158 LEU N . 158 LEU H 25034 1 87 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.640848026651 0.202 . . . 159 GLY N . 159 GLY H 25034 1 88 . 1 1 128 128 ALA N N 15 . 1 1 128 128 ALA H H 1 0.549623904312 0.416 . . . 160 ALA N . 160 ALA H 25034 1 89 . 1 1 137 137 ARG N N 15 . 1 1 137 137 ARG H H 1 0.48376591793 0.094 . . . 169 ARG N . 169 ARG H 25034 1 90 . 1 1 138 138 ALA N N 15 . 1 1 138 138 ALA H H 1 -0.572801982828 -0.266 . . . 170 ALA N . 170 ALA H 25034 1 91 . 1 1 140 140 LEU N N 15 . 1 1 140 140 LEU H H 1 0.295825210323 0.101 . . . 172 LEU N . 172 LEU H 25034 1 92 . 1 1 141 141 LYS N N 15 . 1 1 141 141 LYS H H 1 -1.4910091648 -0.151 . . . 173 LYS N . 173 LYS H 25034 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_cChim600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_cChim600 _Heteronucl_NOE_list.Entry_ID 25034 _Heteronucl_NOE_list.ID 2 _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 20000000 _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 1 '2D 1H-15N HSQC' . . . 25034 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 $NMRView . . 25034 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 23 23 ALA N N 15 . 1 1 23 23 ALA H H 1 0.812261443181 0.081 . . . 7 ALA N . 7 ALA H 25034 2 2 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.785576647439 0.152 . . . 8 ALA N . 8 ALA H 25034 2 3 . 1 1 25 25 VAL N N 15 . 1 1 25 25 VAL H H 1 0.790894214759 0.074 . . . 9 VAL N . 9 VAL H 25034 2 4 . 1 1 26 26 GLU N N 15 . 1 1 26 26 GLU H H 1 0.815699778582 0.09 . . . 10 GLU N . 10 GLU H 25034 2 5 . 1 1 27 27 GLN N N 15 . 1 1 27 27 GLN H H 1 0.737740014159 0.121 . . . 11 GLN N . 11 GLN H 25034 2 6 . 1 1 28 28 LEU N N 15 . 1 1 28 28 LEU H H 1 0.831665914667 0.089 . . . 12 LEU N . 12 LEU H 25034 2 7 . 1 1 29 29 THR N N 15 . 1 1 29 29 THR H H 1 0.835900357549 0.088 . . . 13 THR N . 13 THR H 25034 2 8 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.837054582936 0.098 . . . 14 GLU N . 14 GLU H 25034 2 9 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.999579013278 0.148 . . . 15 GLU N . 15 GLU H 25034 2 10 . 1 1 32 32 GLN N N 15 . 1 1 32 32 GLN H H 1 0.852072561261 0.102 . . . 16 GLN N . 16 GLN H 25034 2 11 . 1 1 33 33 LYS N N 15 . 1 1 33 33 LYS H H 1 0.818298506111 0.146 . . . 17 LYS N . 17 LYS H 25034 2 12 . 1 1 34 34 ASN N N 15 . 1 1 34 34 ASN H H 1 0.793834345375 0.1 . . . 18 ASN N . 18 ASN H 25034 2 13 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.555758589867 0.068 . . . 19 GLU N . 19 GLU H 25034 2 14 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.850376317236 0.131 . . . 20 PHE N . 20 PHE H 25034 2 15 . 1 1 37 37 LYS N N 15 . 1 1 37 37 LYS H H 1 0.8716547308 0.163 . . . 21 LYS N . 21 LYS H 25034 2 16 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.850567431881 0.058 . . . 22 ALA N . 22 ALA H 25034 2 17 . 1 1 39 39 ALA N N 15 . 1 1 39 39 ALA H H 1 0.742198040171 0.107 . . . 23 ALA N . 23 ALA H 25034 2 18 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 0.837054582936 0.098 . . . 24 PHE N . 24 PHE H 25034 2 19 . 1 1 41 41 ASP N N 15 . 1 1 41 41 ASP H H 1 0.837029575119 0.126 . . . 25 ASP N . 25 ASP H 25034 2 20 . 1 1 42 42 ILE N N 15 . 1 1 42 42 ILE H H 1 0.757847778773 0.096 . . . 26 ILE N . 26 ILE H 25034 2 21 . 1 1 43 43 PHE N N 15 . 1 1 43 43 PHE H H 1 0.968732224627 0.438 . . . 27 PHE N . 27 PHE H 25034 2 22 . 1 1 44 44 VAL N N 15 . 1 1 44 44 VAL H H 1 0.610293851465 0.3 . . . 28 VAL N . 28 VAL H 25034 2 23 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.891255016406 0.154 . . . 29 LEU N . 29 LEU H 25034 2 24 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.840493596555 0.143 . . . 31 ALA N . 31 ALA H 25034 2 25 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 0.621706622435 0.348 . . . 32 GLU N . 32 GLU H 25034 2 26 . 1 1 49 49 ASP N N 15 . 1 1 49 49 ASP H H 1 0.681611413714 0.147 . . . 33 ASP N . 33 ASP H 25034 2 27 . 1 1 50 50 GLY N N 15 . 1 1 50 50 GLY H H 1 0.800681665262 0.174 . . . 34 GLY N . 34 GLY H 25034 2 28 . 1 1 51 51 SER N N 15 . 1 1 51 51 SER H H 1 0.83353000174 0.107 . . . 35 SER N . 35 SER H 25034 2 29 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.985594740656 0.192 . . . 36 ILE N . 36 ILE H 25034 2 30 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 1.08970828455 0.315 . . . 37 SER N . 37 SER H 25034 2 31 . 1 1 54 54 THR N N 15 . 1 1 54 54 THR H H 1 1.22425681976 0.266 . . . 38 THR N . 38 THR H 25034 2 32 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.812092864619 0.135 . . . 39 LYS N . 39 LYS H 25034 2 33 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.830196437965 0.135 . . . 40 GLU N . 40 GLU H 25034 2 34 . 1 1 57 57 LEU N N 15 . 1 1 57 57 LEU H H 1 0.823840828489 0.19 . . . 41 LEU N . 41 LEU H 25034 2 35 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 0.926588421993 0.181 . . . 42 GLY N . 42 GLY H 25034 2 36 . 1 1 59 59 LYS N N 15 . 1 1 59 59 LYS H H 1 0.835300307178 0.116 . . . 43 LYS N . 43 LYS H 25034 2 37 . 1 1 60 60 VAL N N 15 . 1 1 60 60 VAL H H 1 0.856445156183 0.14 . . . 44 VAL N . 44 VAL H 25034 2 38 . 1 1 61 61 MET N N 15 . 1 1 61 61 MET H H 1 0.88759326122 0.159 . . . 45 MET N . 45 MET H 25034 2 39 . 1 1 62 62 ARG N N 15 . 1 1 62 62 ARG H H 1 0.856104340067 0.08 . . . 46 ARG N . 46 ARG H 25034 2 40 . 1 1 63 63 MET N N 15 . 1 1 63 63 MET H H 1 0.79318412632 0.119 . . . 47 MET N . 47 MET H 25034 2 41 . 1 1 64 64 LEU N N 15 . 1 1 64 64 LEU H H 1 0.749736251382 0.129 . . . 48 LEU N . 48 LEU H 25034 2 42 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.750483103073 0.087 . . . 49 GLY N . 49 GLY H 25034 2 43 . 1 1 66 66 GLN N N 15 . 1 1 66 66 GLN H H 1 0.755856873469 0.076 . . . 50 GLN N . 50 GLN H 25034 2 44 . 1 1 67 67 ASN N N 15 . 1 1 67 67 ASN H H 1 0.78566796883 0.427 . . . 51 ASN N . 51 ASN H 25034 2 45 . 1 1 71 71 GLU N N 15 . 1 1 71 71 GLU H H 1 0.785358255824 0.09 . . . 55 GLU N . 55 GLU H 25034 2 46 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.706764214529 0.081 . . . 57 LEU N . 57 LEU H 25034 2 47 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.758190171566 0.074 . . . 58 GLN N . 58 GLN H 25034 2 48 . 1 1 75 75 GLU N N 15 . 1 1 75 75 GLU H H 1 0.832774611938 0.091 . . . 59 GLU N . 59 GLU H 25034 2 49 . 1 1 76 76 MET N N 15 . 1 1 76 76 MET H H 1 0.715484793439 0.144 . . . 60 MET N . 60 MET H 25034 2 50 . 1 1 77 77 ILE N N 15 . 1 1 77 77 ILE H H 1 0.904029753205 0.422 . . . 61 ILE N . 61 ILE H 25034 2 51 . 1 1 78 78 ASP N N 15 . 1 1 78 78 ASP H H 1 0.879843602965 0.169 . . . 62 ASP N . 62 ASP H 25034 2 52 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.859033748834 0.101 . . . 63 GLU N . 63 GLU H 25034 2 53 . 1 1 80 80 VAL N N 15 . 1 1 80 80 VAL H H 1 0.853288062792 0.403 . . . 64 VAL N . 64 VAL H 25034 2 54 . 1 1 81 81 ASP N N 15 . 1 1 81 81 ASP H H 1 0.740478558054 0.214 . . . 65 ASP N . 65 ASP H 25034 2 55 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.785487616628 0.177 . . . 66 GLU N . 66 GLU H 25034 2 56 . 1 1 83 83 ASP N N 15 . 1 1 83 83 ASP H H 1 0.84279709859 0.118 . . . 67 ASP N . 67 ASP H 25034 2 57 . 1 1 84 84 GLY N N 15 . 1 1 84 84 GLY H H 1 0.842819035132 0.117 . . . 68 GLY N . 68 GLY H 25034 2 58 . 1 1 85 85 SER N N 15 . 1 1 85 85 SER H H 1 1.05561909578 0.11 . . . 69 SER N . 69 SER H 25034 2 59 . 1 1 86 86 GLY N N 15 . 1 1 86 86 GLY H H 1 0.95700157168 0.157 . . . 70 GLY N . 70 GLY H 25034 2 60 . 1 1 87 87 THR N N 15 . 1 1 87 87 THR H H 1 0.814663384974 0.156 . . . 71 THR N . 71 THR H 25034 2 61 . 1 1 88 88 VAL N N 15 . 1 1 88 88 VAL H H 1 0.792201445834 0.143 . . . 72 VAL N . 72 VAL H 25034 2 62 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.828968235852 0.16 . . . 73 ASP N . 73 ASP H 25034 2 63 . 1 1 90 90 PHE N N 15 . 1 1 90 90 PHE H H 1 0.794208526407 0.1 . . . 74 PHE N . 74 PHE H 25034 2 64 . 1 1 91 91 ASP N N 15 . 1 1 91 91 ASP H H 1 0.945406633705 0.134 . . . 75 ASP N . 75 ASP H 25034 2 65 . 1 1 92 92 GLU N N 15 . 1 1 92 92 GLU H H 1 0.75797676341 0.09 . . . 76 GLU N . 76 GLU H 25034 2 66 . 1 1 93 93 PHE N N 15 . 1 1 93 93 PHE H H 1 0.845881083791 0.171 . . . 77 PHE N . 77 PHE H 25034 2 67 . 1 1 94 94 LEU N N 15 . 1 1 94 94 LEU H H 1 1.0267758602 0.215 . . . 78 LEU N . 78 LEU H 25034 2 68 . 1 1 95 95 VAL N N 15 . 1 1 95 95 VAL H H 1 1.03655805196 0.239 . . . 79 VAL N . 79 VAL H 25034 2 69 . 1 1 96 96 MET N N 15 . 1 1 96 96 MET H H 1 0.691885728823 0.068 . . . 80 MET N . 80 MET H 25034 2 70 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.940677118611 0.19 . . . 82 VAL N . 82 VAL H 25034 2 71 . 1 1 100 100 CYS N N 15 . 1 1 100 100 CYS H H 1 1.03247125029 0.226 . . . 84 CYS N . 84 CYS H 25034 2 72 . 1 1 101 101 MET N N 15 . 1 1 101 101 MET H H 1 0.824125782098 0.145 . . . 85 MET N . 85 MET H 25034 2 73 . 1 1 102 102 LYS N N 15 . 1 1 102 102 LYS H H 1 0.711779974611 0.111 . . . 86 LYS N . 86 LYS H 25034 2 74 . 1 1 114 114 VAL N N 15 . 1 1 114 114 VAL H H 1 0.561506151324 0.149 . . . 146 VAL N . 146 VAL H 25034 2 75 . 1 1 115 115 ARG N N 15 . 1 1 115 115 ARG H H 1 0.846190366686 0.225 . . . 147 ARG N . 147 ARG H 25034 2 76 . 1 1 116 116 ILE N N 15 . 1 1 116 116 ILE H H 1 0.446270185984 0.151 . . . 148 ILE N . 148 ILE H 25034 2 77 . 1 1 118 118 ALA N N 15 . 1 1 118 118 ALA H H 1 0.765415437402 0.236 . . . 150 ALA N . 150 ALA H 25034 2 78 . 1 1 119 119 ASP N N 15 . 1 1 119 119 ASP H H 1 0.962448461015 0.143 . . . 151 ASP N . 151 ASP H 25034 2 79 . 1 1 120 120 ALA N N 15 . 1 1 120 120 ALA H H 1 0.793206122053 0.134 . . . 152 ALA N . 152 ALA H 25034 2 80 . 1 1 121 121 MET N N 15 . 1 1 121 121 MET H H 1 0.69692517805 0.112 . . . 153 MET N . 153 MET H 25034 2 81 . 1 1 122 122 MET N N 15 . 1 1 122 122 MET H H 1 0.825542715632 0.142 . . . 154 MET N . 154 MET H 25034 2 82 . 1 1 123 123 GLN N N 15 . 1 1 123 123 GLN H H 1 0.904016204073 0.124 . . . 155 GLN N . 155 GLN H 25034 2 83 . 1 1 124 124 ALA N N 15 . 1 1 124 124 ALA H H 1 0.886016374591 0.116 . . . 156 ALA N . 156 ALA H 25034 2 84 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 0.825093931477 0.244 . . . 157 LEU N . 157 LEU H 25034 2 85 . 1 1 126 126 LEU N N 15 . 1 1 126 126 LEU H H 1 0.883962749898 0.142 . . . 158 LEU N . 158 LEU H 25034 2 86 . 1 1 127 127 GLY N N 15 . 1 1 127 127 GLY H H 1 0.78713599278 0.185 . . . 159 GLY N . 159 GLY H 25034 2 87 . 1 1 130 130 ALA N N 15 . 1 1 130 130 ALA H H 1 -1.51244929176 -0.462 . . . 162 ALA N . 162 ALA H 25034 2 88 . 1 1 137 137 ARG N N 15 . 1 1 137 137 ARG H H 1 0.66178910272 0.083 . . . 169 ARG N . 169 ARG H 25034 2 89 . 1 1 138 138 ALA N N 15 . 1 1 138 138 ALA H H 1 -0.16205162642 -0.152 . . . 170 ALA N . 170 ALA H 25034 2 90 . 1 1 140 140 LEU N N 15 . 1 1 140 140 LEU H H 1 0.347386390907 0.094 . . . 172 LEU N . 172 LEU H 25034 2 91 . 1 1 141 141 LYS N N 15 . 1 1 141 141 LYS H H 1 -1.53200093644 -0.095 . . . 173 LYS N . 173 LYS H 25034 2 stop_ save_