############################## # 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 53187 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name '15N NOE at 600 MHz' _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 1.0 _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 8 '2D 1H-15N heteronoe' . . . 53187 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 2 $software_2 . . 53187 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 ALA N N 15 . 1 1 3 3 ALA H H 1 0.4546 0.0106 . . . . . . . . . . 53187 1 2 . 1 1 4 4 ALA N N 15 . 1 1 4 4 ALA H H 1 0.5757 0.0114 . . . . . . . . . . 53187 1 3 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.5927 0.0166 . . . . . . . . . . 53187 1 4 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.6909 0.0239 . . . . . . . . . . 53187 1 5 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.6754 0.0183 . . . . . . . . . . 53187 1 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.7157 0.0171 . . . . . . . . . . 53187 1 7 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.7754 0.0207 . . . . . . . . . . 53187 1 8 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.7901 0.0237 . . . . . . . . . . 53187 1 9 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.7384 0.0194 . . . . . . . . . . 53187 1 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.6965 0.0159 . . . . . . . . . . 53187 1 11 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.8359 0.0310 . . . . . . . . . . 53187 1 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.7934 0.0267 . . . . . . . . . . 53187 1 13 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.8205 0.0210 . . . . . . . . . . 53187 1 14 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.8052 0.0248 . . . . . . . . . . 53187 1 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.7879 0.0245 . . . . . . . . . . 53187 1 16 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.7642 0.0209 . . . . . . . . . . 53187 1 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.7786 0.0180 . . . . . . . . . . 53187 1 18 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8601 0.0316 . . . . . . . . . . 53187 1 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.9080 0.0289 . . . . . . . . . . 53187 1 20 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.8581 0.0228 . . . . . . . . . . 53187 1 21 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.8470 0.0233 . . . . . . . . . . 53187 1 22 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.8873 0.0329 . . . . . . . . . . 53187 1 23 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.8390 0.0293 . . . . . . . . . . 53187 1 24 . 1 1 26 26 PHE N N 15 . 1 1 26 26 PHE H H 1 0.8367 0.0262 . . . . . . . . . . 53187 1 25 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.9038 0.0266 . . . . . . . . . . 53187 1 26 . 1 1 28 28 PHE N N 15 . 1 1 28 28 PHE H H 1 0.8192 0.0292 . . . . . . . . . . 53187 1 27 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.8132 0.0280 . . . . . . . . . . 53187 1 28 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.8049 0.0266 . . . . . . . . . . 53187 1 29 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.9107 0.0379 . . . . . . . . . . 53187 1 30 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.8771 0.0238 . . . . . . . . . . 53187 1 31 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 0.7578 0.0202 . . . . . . . . . . 53187 1 32 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.7949 0.0263 . . . . . . . . . . 53187 1 33 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.8268 0.0284 . . . . . . . . . . 53187 1 34 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.8190 0.0223 . . . . . . . . . . 53187 1 35 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.7068 0.0238 . . . . . . . . . . 53187 1 36 . 1 1 38 38 CYS N N 15 . 1 1 38 38 CYS H H 1 0.8646 0.0267 . . . . . . . . . . 53187 1 37 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.8007 0.0197 . . . . . . . . . . 53187 1 38 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.6836 0.0151 . . . . . . . . . . 53187 1 39 . 1 1 41 41 ASN N N 15 . 1 1 41 41 ASN H H 1 0.6816 0.0182 . . . . . . . . . . 53187 1 40 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.5439 0.0091 . . . . . . . . . . 53187 1 41 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.4951 0.0119 . . . . . . . . . . 53187 1 42 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.5382 0.0120 . . . . . . . . . . 53187 1 43 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.4804 0.0098 . . . . . . . . . . 53187 1 44 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.5729 0.0096 . . . . . . . . . . 53187 1 45 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.7106 0.0207 . . . . . . . . . . 53187 1 46 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.6777 0.0282 . . . . . . . . . . 53187 1 47 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN H H 1 0.8372 0.0209 . . . . . . . . . . 53187 1 48 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.7102 0.0205 . . . . . . . . . . 53187 1 49 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.8232 0.0311 . . . . . . . . . . 53187 1 50 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.8792 0.0272 . . . . . . . . . . 53187 1 51 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.8375 0.0195 . . . . . . . . . . 53187 1 52 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.8109 0.0263 . . . . . . . . . . 53187 1 53 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.7830 0.0295 . . . . . . . . . . 53187 1 54 . 1 1 57 57 TYR N N 15 . 1 1 57 57 TYR H H 1 0.7772 0.0238 . . . . . . . . . . 53187 1 55 . 1 1 58 58 ALA N N 15 . 1 1 58 58 ALA H H 1 0.7018 0.0113 . . . . . . . . . . 53187 1 56 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.6157 0.0180 . . . . . . . . . . 53187 1 57 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.3487 0.0078 . . . . . . . . . . 53187 1 58 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.2906 0.0046 . . . . . . . . . . 53187 1 59 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.1899 0.0043 . . . . . . . . . . 53187 1 60 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.1497 0.0036 . . . . . . . . . . 53187 1 61 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 -0.1435 0.0037 . . . . . . . . . . 53187 1 62 . 1 1 65 65 ILE N N 15 . 1 1 65 65 ILE H H 1 -0.3419 0.0034 . . . . . . . . . . 53187 1 63 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 -0.5223 0.0028 . . . . . . . . . . 53187 1 64 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 -0.7237 0.0031 . . . . . . . . . . 53187 1 65 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 -1.2392 0.0045 . . . . . . . . . . 53187 1 66 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 -2.6398 0.0069 . . . . . . . . . . 53187 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 53187 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Name '15N NOE at 600 MHz' _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 1.0 _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 8 '2D 1H-15N heteronoe' . . . 53187 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 2 $software_2 . . 53187 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 ALA N N 15 . 1 1 3 3 ALA H H 1 0.5140 0.0067 . . . . . . . . . . 53187 2 2 . 1 1 4 4 ALA N N 15 . 1 1 4 4 ALA H H 1 0.6188 0.0079 . . . . . . . . . . 53187 2 3 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.6234 0.0112 . . . . . . . . . . 53187 2 4 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.6202 0.0144 . . . . . . . . . . 53187 2 5 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.7079 0.0142 . . . . . . . . . . 53187 2 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.6346 0.0103 . . . . . . . . . . 53187 2 7 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.6341 0.0127 . . . . . . . . . . 53187 2 8 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.6864 0.0149 . . . . . . . . . . 53187 2 9 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.7313 0.0139 . . . . . . . . . . 53187 2 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.6726 0.0139 . . . . . . . . . . 53187 2 11 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.8206 0.0222 . . . . . . . . . . 53187 2 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.7697 0.0174 . . . . . . . . . . 53187 2 13 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.7893 0.0145 . . . . . . . . . . 53187 2 14 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.7749 0.0165 . . . . . . . . . . 53187 2 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.8185 0.0212 . . . . . . . . . . 53187 2 16 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.8160 0.0149 . . . . . . . . . . 53187 2 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.8640 0.0144 . . . . . . . . . . 53187 2 18 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8402 0.0204 . . . . . . . . . . 53187 2 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.8809 0.0206 . . . . . . . . . . 53187 2 20 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.7588 0.0133 . . . . . . . . . . 53187 2 21 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.7661 0.0153 . . . . . . . . . . 53187 2 22 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.8416 0.0243 . . . . . . . . . . 53187 2 23 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.9079 0.0225 . . . . . . . . . . 53187 2 24 . 1 1 26 26 PHE N N 15 . 1 1 26 26 PHE H H 1 0.8094 0.0183 . . . . . . . . . . 53187 2 25 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.9068 0.0186 . . . . . . . . . . 53187 2 26 . 1 1 28 28 PHE N N 15 . 1 1 28 28 PHE H H 1 0.9595 0.0240 . . . . . . . . . . 53187 2 27 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.8176 0.0201 . . . . . . . . . . 53187 2 28 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.7670 0.0164 . . . . . . . . . . 53187 2 29 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.7836 0.0213 . . . . . . . . . . 53187 2 30 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.7717 0.0146 . . . . . . . . . . 53187 2 31 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 0.8335 0.0152 . . . . . . . . . . 53187 2 32 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.7898 0.0267 . . . . . . . . . . 53187 2 33 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.8055 0.0190 . . . . . . . . . . 53187 2 34 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.7592 0.0151 . . . . . . . . . . 53187 2 35 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.6975 0.0157 . . . . . . . . . . 53187 2 36 . 1 1 38 38 CYS N N 15 . 1 1 38 38 CYS H H 1 0.8500 0.0195 . . . . . . . . . . 53187 2 37 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.7639 0.0127 . . . . . . . . . . 53187 2 38 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.7282 0.0107 . . . . . . . . . . 53187 2 39 . 1 1 41 41 ASN N N 15 . 1 1 41 41 ASN H H 1 0.6212 0.0109 . . . . . . . . . . 53187 2 40 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.5817 0.0058 . . . . . . . . . . 53187 2 41 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.5445 0.0077 . . . . . . . . . . 53187 2 42 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.5507 0.0097 . . . . . . . . . . 53187 2 43 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.5803 0.0063 . . . . . . . . . . 53187 2 44 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.5852 0.0065 . . . . . . . . . . 53187 2 45 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.6769 0.0137 . . . . . . . . . . 53187 2 46 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.7501 0.0213 . . . . . . . . . . 53187 2 47 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN H H 1 0.7229 0.0139 . . . . . . . . . . 53187 2 48 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.8091 0.0148 . . . . . . . . . . 53187 2 49 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.8250 0.0269 . . . . . . . . . . 53187 2 50 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.8403 0.0194 . . . . . . . . . . 53187 2 51 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.8964 0.0143 . . . . . . . . . . 53187 2 52 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.8512 0.0174 . . . . . . . . . . 53187 2 53 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.8892 0.0241 . . . . . . . . . . 53187 2 54 . 1 1 57 57 TYR N N 15 . 1 1 57 57 TYR H H 1 0.7800 0.0158 . . . . . . . . . . 53187 2 55 . 1 1 58 58 ALA N N 15 . 1 1 58 58 ALA H H 1 0.6991 0.0063 . . . . . . . . . . 53187 2 56 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.5773 0.0104 . . . . . . . . . . 53187 2 57 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.3879 0.0044 . . . . . . . . . . 53187 2 58 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.3129 0.0025 . . . . . . . . . . 53187 2 59 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.3167 0.0024 . . . . . . . . . . 53187 2 60 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.3222 0.0021 . . . . . . . . . . 53187 2 61 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.1529 0.0021 . . . . . . . . . . 53187 2 62 . 1 1 65 65 ILE N N 15 . 1 1 65 65 ILE H H 1 0.1868 0.0018 . . . . . . . . . . 53187 2 63 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 -0.0035 0.0012 . . . . . . . . . . 53187 2 64 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 -0.4139 0.0013 . . . . . . . . . . 53187 2 65 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 -0.6743 0.0017 . . . . . . . . . . 53187 2 66 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 -1.8296 0.0024 . . . . . . . . . . 53187 2 stop_ save_