############################## # 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 53188 _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 4 '2D 1H-15N heteronoe' . . . 53188 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 . . 53188 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 0.3941 0.0097 . . . . . . . . . . 53188 1 2 . 1 1 4 4 ALA N N 15 . 1 1 4 4 ALA H H 1 0.6059 0.0116 . . . . . . . . . . 53188 1 3 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.6385 0.0158 . . . . . . . . . . 53188 1 4 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.6541 0.0227 . . . . . . . . . . 53188 1 5 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.6545 0.0184 . . . . . . . . . . 53188 1 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.7622 0.0181 . . . . . . . . . . 53188 1 7 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.7761 0.0210 . . . . . . . . . . 53188 1 8 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.8196 0.0254 . . . . . . . . . . 53188 1 9 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.7745 0.0198 . . . . . . . . . . 53188 1 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.7737 0.0214 . . . . . . . . . . 53188 1 11 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.8960 0.0319 . . . . . . . . . . 53188 1 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.8344 0.0249 . . . . . . . . . . 53188 1 13 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.8231 0.0191 . . . . . . . . . . 53188 1 14 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.8373 0.0231 . . . . . . . . . . 53188 1 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.8252 0.0295 . . . . . . . . . . 53188 1 16 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.8372 0.0215 . . . . . . . . . . 53188 1 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.8782 0.0208 . . . . . . . . . . 53188 1 18 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8169 0.0289 . . . . . . . . . . 53188 1 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.8662 0.0290 . . . . . . . . . . 53188 1 20 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.8807 0.0221 . . . . . . . . . . 53188 1 21 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.8378 0.0238 . . . . . . . . . . 53188 1 22 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.9338 0.0342 . . . . . . . . . . 53188 1 23 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.8238 0.0249 . . . . . . . . . . 53188 1 24 . 1 1 26 26 PHE N N 15 . 1 1 26 26 PHE H H 1 0.8181 0.0265 . . . . . . . . . . 53188 1 25 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.8198 0.0250 . . . . . . . . . . 53188 1 26 . 1 1 28 28 PHE N N 15 . 1 1 28 28 PHE H H 1 0.7580 0.0249 . . . . . . . . . . 53188 1 27 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.9361 0.0289 . . . . . . . . . . 53188 1 28 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.8789 0.0274 . . . . . . . . . . 53188 1 29 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.9113 0.0376 . . . . . . . . . . 53188 1 30 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.8903 0.0318 . . . . . . . . . . 53188 1 31 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 0.8815 0.0237 . . . . . . . . . . 53188 1 32 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.8200 0.0365 . . . . . . . . . . 53188 1 33 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.8745 0.0376 . . . . . . . . . . 53188 1 34 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.8490 0.0419 . . . . . . . . . . 53188 1 35 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.8614 0.0294 . . . . . . . . . . 53188 1 36 . 1 1 38 38 CYS N N 15 . 1 1 38 38 CYS H H 1 0.8511 0.0268 . . . . . . . . . . 53188 1 37 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.8641 0.0261 . . . . . . . . . . 53188 1 38 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.7556 0.0170 . . . . . . . . . . 53188 1 39 . 1 1 41 41 ASN N N 15 . 1 1 41 41 ASN H H 1 0.6575 0.0188 . . . . . . . . . . 53188 1 40 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.5422 0.0086 . . . . . . . . . . 53188 1 41 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.5253 0.0149 . . . . . . . . . . 53188 1 42 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.5604 0.0111 . . . . . . . . . . 53188 1 43 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.4935 0.0104 . . . . . . . . . . 53188 1 44 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.5182 0.0097 . . . . . . . . . . 53188 1 45 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.6636 0.0192 . . . . . . . . . . 53188 1 46 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.7893 0.0242 . . . . . . . . . . 53188 1 47 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN H H 1 0.8229 0.0203 . . . . . . . . . . 53188 1 48 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.8315 0.0221 . . . . . . . . . . 53188 1 49 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.8756 0.0288 . . . . . . . . . . 53188 1 50 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.8387 0.0259 . . . . . . . . . . 53188 1 51 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.8667 0.0194 . . . . . . . . . . 53188 1 52 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.9091 0.0305 . . . . . . . . . . 53188 1 53 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 1.2224 0.0471 . . . . . . . . . . 53188 1 54 . 1 1 57 57 TYR N N 15 . 1 1 57 57 TYR H H 1 0.9498 0.0300 . . . . . . . . . . 53188 1 55 . 1 1 58 58 ALA N N 15 . 1 1 58 58 ALA H H 1 0.8757 0.0141 . . . . . . . . . . 53188 1 56 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.7864 0.0199 . . . . . . . . . . 53188 1 57 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.5649 0.0182 . . . . . . . . . . 53188 1 58 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.6741 0.0109 . . . . . . . . . . 53188 1 59 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.6324 0.0208 . . . . . . . . . . 53188 1 60 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.7751 0.0145 . . . . . . . . . . 53188 1 61 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.7030 0.0259 . . . . . . . . . . 53188 1 62 . 1 1 65 65 ILE N N 15 . 1 1 65 65 ILE H H 1 0.6211 0.0169 . . . . . . . . . . 53188 1 63 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 0.0936 0.0061 . . . . . . . . . . 53188 1 64 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 -0.0852 0.0033 . . . . . . . . . . 53188 1 65 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 -0.4977 0.0036 . . . . . . . . . . 53188 1 66 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 -1.5529 0.0040 . . . . . . . . . . 53188 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 53188 _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' . . . 53188 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 . . 53188 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 0.5063 0.0098 . . . . . . . . . . 53188 2 2 . 1 1 4 4 ALA N N 15 . 1 1 4 4 ALA H H 1 0.6111 0.0123 . . . . . . . . . . 53188 2 3 . 1 1 5 5 GLU N N 15 . 1 1 5 5 GLU H H 1 0.5801 0.0149 . . . . . . . . . . 53188 2 4 . 1 1 6 6 LEU N N 15 . 1 1 6 6 LEU H H 1 0.6813 0.0272 . . . . . . . . . . 53188 2 5 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.6748 0.0208 . . . . . . . . . . 53188 2 6 . 1 1 8 8 GLN N N 15 . 1 1 8 8 GLN H H 1 0.6894 0.0169 . . . . . . . . . . 53188 2 7 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.7152 0.0206 . . . . . . . . . . 53188 2 8 . 1 1 10 10 VAL N N 15 . 1 1 10 10 VAL H H 1 0.7661 0.0256 . . . . . . . . . . 53188 2 9 . 1 1 11 11 ASN N N 15 . 1 1 11 11 ASN H H 1 0.7591 0.0201 . . . . . . . . . . 53188 2 10 . 1 1 12 12 VAL N N 15 . 1 1 12 12 VAL H H 1 0.8070 0.0251 . . . . . . . . . . 53188 2 11 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.7762 0.0314 . . . . . . . . . . 53188 2 12 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.8125 0.0275 . . . . . . . . . . 53188 2 13 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.9004 0.0257 . . . . . . . . . . 53188 2 14 . 1 1 16 16 THR N N 15 . 1 1 16 16 THR H H 1 0.8620 0.0259 . . . . . . . . . . 53188 2 15 . 1 1 17 17 VAL N N 15 . 1 1 17 17 VAL H H 1 0.8447 0.0304 . . . . . . . . . . 53188 2 16 . 1 1 18 18 GLU N N 15 . 1 1 18 18 GLU H H 1 0.8132 0.0231 . . . . . . . . . . 53188 2 17 . 1 1 19 19 ASP N N 15 . 1 1 19 19 ASP H H 1 0.8296 0.0224 . . . . . . . . . . 53188 2 18 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.8645 0.0354 . . . . . . . . . . 53188 2 19 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.8907 0.0326 . . . . . . . . . . 53188 2 20 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.7653 0.0217 . . . . . . . . . . 53188 2 21 . 1 1 23 23 GLU N N 15 . 1 1 23 23 GLU H H 1 0.8836 0.0294 . . . . . . . . . . 53188 2 22 . 1 1 24 24 ARG N N 15 . 1 1 24 24 ARG H H 1 0.8084 0.0333 . . . . . . . . . . 53188 2 23 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.8565 0.0305 . . . . . . . . . . 53188 2 24 . 1 1 26 26 PHE N N 15 . 1 1 26 26 PHE H H 1 0.8734 0.0291 . . . . . . . . . . 53188 2 25 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.8426 0.0294 . . . . . . . . . . 53188 2 26 . 1 1 28 28 PHE N N 15 . 1 1 28 28 PHE H H 1 0.8108 0.0311 . . . . . . . . . . 53188 2 27 . 1 1 29 29 GLY N N 15 . 1 1 29 29 GLY H H 1 0.8751 0.0297 . . . . . . . . . . 53188 2 28 . 1 1 30 30 LYS N N 15 . 1 1 30 30 LYS H H 1 0.8389 0.0312 . . . . . . . . . . 53188 2 29 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.8537 0.0375 . . . . . . . . . . 53188 2 30 . 1 1 32 32 ARG N N 15 . 1 1 32 32 ARG H H 1 0.8299 0.0323 . . . . . . . . . . 53188 2 31 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 0.8503 0.0266 . . . . . . . . . . 53188 2 32 . 1 1 34 34 ILE N N 15 . 1 1 34 34 ILE H H 1 0.8382 0.0436 . . . . . . . . . . 53188 2 33 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.7509 0.0386 . . . . . . . . . . 53188 2 34 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.8769 0.0543 . . . . . . . . . . 53188 2 35 . 1 1 37 37 ILE N N 15 . 1 1 37 37 ILE H H 1 0.8204 0.0286 . . . . . . . . . . 53188 2 36 . 1 1 38 38 CYS N N 15 . 1 1 38 38 CYS H H 1 0.8959 0.0328 . . . . . . . . . . 53188 2 37 . 1 1 39 39 GLN N N 15 . 1 1 39 39 GLN H H 1 0.7277 0.0312 . . . . . . . . . . 53188 2 38 . 1 1 40 40 GLU N N 15 . 1 1 40 40 GLU H H 1 0.7876 0.0192 . . . . . . . . . . 53188 2 39 . 1 1 41 41 ASN N N 15 . 1 1 41 41 ASN H H 1 0.6555 0.0177 . . . . . . . . . . 53188 2 40 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.5510 0.0079 . . . . . . . . . . 53188 2 41 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.5678 0.0144 . . . . . . . . . . 53188 2 42 . 1 1 44 44 GLU N N 15 . 1 1 44 44 GLU H H 1 0.6137 0.0111 . . . . . . . . . . 53188 2 43 . 1 1 45 45 ASN N N 15 . 1 1 45 45 ASN H H 1 0.5539 0.0101 . . . . . . . . . . 53188 2 44 . 1 1 46 46 ASP N N 15 . 1 1 46 46 ASP H H 1 0.5346 0.0092 . . . . . . . . . . 53188 2 45 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.7108 0.0206 . . . . . . . . . . 53188 2 46 . 1 1 49 49 LEU N N 15 . 1 1 49 49 LEU H H 1 0.8106 0.0313 . . . . . . . . . . 53188 2 47 . 1 1 50 50 GLN N N 15 . 1 1 50 50 GLN H H 1 0.8393 0.0229 . . . . . . . . . . 53188 2 48 . 1 1 51 51 ARG N N 15 . 1 1 51 51 ARG H H 1 0.7513 0.0206 . . . . . . . . . . 53188 2 49 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.6970 0.0370 . . . . . . . . . . 53188 2 50 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.9291 0.0321 . . . . . . . . . . 53188 2 51 . 1 1 54 54 ASP N N 15 . 1 1 54 54 ASP H H 1 0.8385 0.0205 . . . . . . . . . . 53188 2 52 . 1 1 55 55 ILE N N 15 . 1 1 55 55 ILE H H 1 0.7796 0.0253 . . . . . . . . . . 53188 2 53 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 0.7929 0.0330 . . . . . . . . . . 53188 2 54 . 1 1 57 57 TYR N N 15 . 1 1 57 57 TYR H H 1 0.8552 0.0283 . . . . . . . . . . 53188 2 55 . 1 1 58 58 ALA N N 15 . 1 1 58 58 ALA H H 1 0.8514 0.0133 . . . . . . . . . . 53188 2 56 . 1 1 59 59 THR N N 15 . 1 1 59 59 THR H H 1 0.8054 0.0218 . . . . . . . . . . 53188 2 57 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.5730 0.0185 . . . . . . . . . . 53188 2 58 . 1 1 61 61 GLU N N 15 . 1 1 61 61 GLU H H 1 0.6549 0.0114 . . . . . . . . . . 53188 2 59 . 1 1 62 62 GLY N N 15 . 1 1 62 62 GLY H H 1 0.7190 0.0231 . . . . . . . . . . 53188 2 60 . 1 1 63 63 PHE N N 15 . 1 1 63 63 PHE H H 1 0.7856 0.0154 . . . . . . . . . . 53188 2 61 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.6877 0.0320 . . . . . . . . . . 53188 2 62 . 1 1 65 65 ILE N N 15 . 1 1 65 65 ILE H H 1 0.6585 0.0167 . . . . . . . . . . 53188 2 63 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 0.3131 0.0060 . . . . . . . . . . 53188 2 64 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.0624 0.0025 . . . . . . . . . . 53188 2 65 . 1 1 69 69 GLY N N 15 . 1 1 69 69 GLY H H 1 -0.1350 0.0022 . . . . . . . . . . 53188 2 66 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 -0.9671 0.0021 . . . . . . . . . . 53188 2 stop_ save_