######################## # Coupling constants # ######################## save_750_CH _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 750_CH _Coupling_constant_list.Entry_ID 4319 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_one _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 2 $sample_two . 4319 1 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 2 $dipfit . . 4319 1 1 $FELIX95 . . 4319 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 1JCAHA . 1 1 1 1 MET CA C 13 . . 1 1 1 1 MET HA H 1 . 144.865 . . 0.009 . . . . . . . . . . . 4319 1 2 1JCAHA . 1 1 2 2 LYS CA C 13 . . 1 1 2 2 LYS HA H 1 . 143.038 . . 0.001 . . . . . . . . . . . 4319 1 3 1JCAHA . 1 1 3 3 LYS CA C 13 . . 1 1 3 3 LYS HA H 1 . 144.936 . . 0.062 . . . . . . . . . . . 4319 1 4 1JCAHA . 1 1 4 4 TYR CA C 13 . . 1 1 4 4 TYR HA H 1 . 143.861 . . 0.057 . . . . . . . . . . . 4319 1 5 1JCAHA . 1 1 14 14 ASN CA C 13 . . 1 1 14 14 ASN HA H 1 . 142.857 . . 0.021 . . . . . . . . . . . 4319 1 6 1JCAHA . 1 1 15 15 PRO CA C 13 . . 1 1 15 15 PRO HA H 1 . 153.407 . . 0.016 . . . . . . . . . . . 4319 1 7 1JCAHA . 1 1 16 16 GLU CA C 13 . . 1 1 16 16 GLU HA H 1 . 147.528 . . 0.018 . . . . . . . . . . . 4319 1 8 1JCAHA . 1 1 17 17 ASP CA C 13 . . 1 1 17 17 ASP HA H 1 . 145.800 . . 0.025 . . . . . . . . . . . 4319 1 9 1JCAHA . 1 1 19 19 ASP CA C 13 . . 1 1 19 19 ASP HA H 1 . 140.686 . . 0.087 . . . . . . . . . . . 4319 1 10 1JCAHA . 1 1 20 20 PRO CA C 13 . . 1 1 20 20 PRO HA H 1 . 150.502 . . 0.017 . . . . . . . . . . . 4319 1 11 1JCAHA . 1 1 21 21 ASP CA C 13 . . 1 1 21 21 ASP HA H 1 . 148.425 . . 0.155 . . . . . . . . . . . 4319 1 12 1JCAHA . 1 1 22 22 ASN CA C 13 . . 1 1 22 22 ASN HA H 1 . 140.557 . . 0.021 . . . . . . . . . . . 4319 1 13 1JCAHA . 1 1 24 24 VAL CA C 13 . . 1 1 24 24 VAL HA H 1 . 141.366 . . 0.003 . . . . . . . . . . . 4319 1 14 1JCAHA . 1 1 25 25 ASN CA C 13 . . 1 1 25 25 ASN HA H 1 . 143.930 . . 0.010 . . . . . . . . . . . 4319 1 15 1JCAHA . 1 1 26 26 PRO CA C 13 . . 1 1 26 26 PRO HA H 1 . 146.465 . . 0.007 . . . . . . . . . . . 4319 1 16 1JCAHA . 1 1 28 28 THR CA C 13 . . 1 1 28 28 THR HA H 1 . 143.794 . . 0.028 . . . . . . . . . . . 4319 1 17 1JCAHA . 1 1 29 29 ASP CA C 13 . . 1 1 29 29 ASP HA H 1 . 147.726 . . 0.018 . . . . . . . . . . . 4319 1 18 1JCAHA . 1 1 30 30 PHE CA C 13 . . 1 1 30 30 PHE HA H 1 . 150.925 . . 0.045 . . . . . . . . . . . 4319 1 19 1JCAHA . 1 1 31 31 LYS CA C 13 . . 1 1 31 31 LYS HA H 1 . 145.370 . . 0.002 . . . . . . . . . . . 4319 1 20 1JCAHA . 1 1 32 32 ASP CA C 13 . . 1 1 32 32 ASP HA H 1 . 141.917 . . 0.003 . . . . . . . . . . . 4319 1 21 1JCAHA . 1 1 33 33 ILE CA C 13 . . 1 1 33 33 ILE HA H 1 . 142.209 . . 0.010 . . . . . . . . . . . 4319 1 22 1JCAHA . 1 1 34 34 PRO CA C 13 . . 1 1 34 34 PRO HA H 1 . 146.073 . . 0.015 . . . . . . . . . . . 4319 1 23 1JCAHA . 1 1 35 35 ASP CA C 13 . . 1 1 35 35 ASP HA H 1 . 146.710 . . 0.023 . . . . . . . . . . . 4319 1 24 1JCAHA . 1 1 36 36 ASP CA C 13 . . 1 1 36 36 ASP HA H 1 . 139.397 . . 0.023 . . . . . . . . . . . 4319 1 25 1JCAHA . 1 1 37 37 TRP CA C 13 . . 1 1 37 37 TRP HA H 1 . 147.556 . . 0.058 . . . . . . . . . . . 4319 1 26 1JCAHA . 1 1 50 50 GLU CA C 13 . . 1 1 50 50 GLU HA H 1 . 139.416 . . 0.097 . . . . . . . . . . . 4319 1 27 1JCAHA . 1 1 51 51 GLU CA C 13 . . 1 1 51 51 GLU HA H 1 . 144.730 . . 0.032 . . . . . . . . . . . 4319 1 28 1JCAHA . 1 1 52 52 VAL CA C 13 . . 1 1 52 52 VAL HA H 1 . 142.174 . . 0.006 . . . . . . . . . . . 4319 1 29 1JCAHA . 1 1 53 53 GLU CA C 13 . . 1 1 53 53 GLU HA H 1 . 142.251 . . 0.003 . . . . . . . . . . . 4319 1 30 1JCAHA . 1 1 54 54 GLU CA C 13 . . 1 1 54 54 GLU HA H 1 . 141.584 . . 0.004 . . . . . . . . . . . 4319 1 stop_ save_ ######################## # Coupling constants # ######################## save_400_CH _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 400_CH _Coupling_constant_list.Entry_ID 4319 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_one _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 2 $sample_two . 4319 2 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 2 $dipfit . . 4319 2 1 $FELIX95 . . 4319 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 1JCAHA . 1 1 1 1 MET CA C 13 . . 1 1 1 1 MET HA H 1 . 145.479 . . 0.028 . . . . . . . . . . . 4319 2 2 1JCAHA . 1 1 2 2 LYS CA C 13 . . 1 1 2 2 LYS HA H 1 . 142.328 . . 0.005 . . . . . . . . . . . 4319 2 3 1JCAHA . 1 1 3 3 LYS CA C 13 . . 1 1 3 3 LYS HA H 1 . 144.348 . . 0.095 . . . . . . . . . . . 4319 2 4 1JCAHA . 1 1 14 14 ASN CA C 13 . . 1 1 14 14 ASN HA H 1 . 142.244 . . 0.035 . . . . . . . . . . . 4319 2 5 1JCAHA . 1 1 15 15 PRO CA C 13 . . 1 1 15 15 PRO HA H 1 . 152.662 . . 0.025 . . . . . . . . . . . 4319 2 6 1JCAHA . 1 1 16 16 GLU CA C 13 . . 1 1 16 16 GLU HA H 1 . 147.311 . . 0.087 . . . . . . . . . . . 4319 2 7 1JCAHA . 1 1 17 17 ASP CA C 13 . . 1 1 17 17 ASP HA H 1 . 146.941 . . 0.011 . . . . . . . . . . . 4319 2 8 1JCAHA . 1 1 19 19 ASP CA C 13 . . 1 1 19 19 ASP HA H 1 . 141.250 . . 0.054 . . . . . . . . . . . 4319 2 9 1JCAHA . 1 1 20 20 PRO CA C 13 . . 1 1 20 20 PRO HA H 1 . 150.873 . . 0.015 . . . . . . . . . . . 4319 2 10 1JCAHA . 1 1 21 21 ASP CA C 13 . . 1 1 21 21 ASP HA H 1 . 148.103 . . 0.008 . . . . . . . . . . . 4319 2 11 1JCAHA . 1 1 22 22 ASN CA C 13 . . 1 1 22 22 ASN HA H 1 . 139.270 . . 0.005 . . . . . . . . . . . 4319 2 12 1JCAHA . 1 1 24 24 VAL CA C 13 . . 1 1 24 24 VAL HA H 1 . 141.675 . . 0.019 . . . . . . . . . . . 4319 2 13 1JCAHA . 1 1 25 25 ASN CA C 13 . . 1 1 25 25 ASN HA H 1 . 144.513 . . 0.035 . . . . . . . . . . . 4319 2 14 1JCAHA . 1 1 26 26 PRO CA C 13 . . 1 1 26 26 PRO HA H 1 . 146.398 . . 0.050 . . . . . . . . . . . 4319 2 15 1JCAHA . 1 1 28 28 THR CA C 13 . . 1 1 28 28 THR HA H 1 . 143.473 . . 0.006 . . . . . . . . . . . 4319 2 16 1JCAHA . 1 1 29 29 ASP CA C 13 . . 1 1 29 29 ASP HA H 1 . 146.991 . . 0.045 . . . . . . . . . . . 4319 2 17 1JCAHA . 1 1 30 30 PHE CA C 13 . . 1 1 30 30 PHE HA H 1 . 150.512 . . 0.174 . . . . . . . . . . . 4319 2 18 1JCAHA . 1 1 31 31 LYS CA C 13 . . 1 1 31 31 LYS HA H 1 . 146.058 . . 0.021 . . . . . . . . . . . 4319 2 19 1JCAHA . 1 1 32 32 ASP CA C 13 . . 1 1 32 32 ASP HA H 1 . 142.508 . . 0.006 . . . . . . . . . . . 4319 2 20 1JCAHA . 1 1 33 33 ILE CA C 13 . . 1 1 33 33 ILE HA H 1 . 142.757 . . 0.038 . . . . . . . . . . . 4319 2 21 1JCAHA . 1 1 34 34 PRO CA C 13 . . 1 1 34 34 PRO HA H 1 . 146.565 . . 0.021 . . . . . . . . . . . 4319 2 22 1JCAHA . 1 1 35 35 ASP CA C 13 . . 1 1 35 35 ASP HA H 1 . 145.747 . . 0.102 . . . . . . . . . . . 4319 2 23 1JCAHA . 1 1 36 36 ASP CA C 13 . . 1 1 36 36 ASP HA H 1 . 139.825 . . 0.015 . . . . . . . . . . . 4319 2 24 1JCAHA . 1 1 51 51 GLU CA C 13 . . 1 1 51 51 GLU HA H 1 . 144.731 . . 0.015 . . . . . . . . . . . 4319 2 25 1JCAHA . 1 1 52 52 VAL CA C 13 . . 1 1 52 52 VAL HA H 1 . 142.226 . . 0.056 . . . . . . . . . . . 4319 2 26 1JCAHA . 1 1 53 53 GLU CA C 13 . . 1 1 53 53 GLU HA H 1 . 142.409 . . 0.001 . . . . . . . . . . . 4319 2 27 1JCAHA . 1 1 54 54 GLU CA C 13 . . 1 1 54 54 GLU HA H 1 . 141.480 . . 0.020 . . . . . . . . . . . 4319 2 stop_ save_ ######################## # Coupling constants # ######################## save_750_NH _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 750_NH _Coupling_constant_list.Entry_ID 4319 _Coupling_constant_list.ID 3 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_one _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_one . 4319 3 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 2 $dipfit . . 4319 3 1 $FELIX95 . . 4319 3 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 1JHNN . 1 1 2 2 LYS H H 1 . . 1 1 2 2 LYS N N 15 . 93.282 . . 0.0651 . . . . . . . . . . . 4319 3 2 1JHNN . 1 1 3 3 LYS H H 1 . . 1 1 3 3 LYS N N 15 . 92.113 . . 0.0742 . . . . . . . . . . . 4319 3 3 1JHNN . 1 1 14 14 ASN H H 1 . . 1 1 14 14 ASN N N 15 . 93.886 . . 0.0266 . . . . . . . . . . . 4319 3 4 1JHNN . 1 1 16 16 GLU H H 1 . . 1 1 16 16 GLU N N 15 . 92.893 . . 0.0294 . . . . . . . . . . . 4319 3 5 1JHNN . 1 1 17 17 ASP H H 1 . . 1 1 17 17 ASP N N 15 . 92.119 . . 0.0632 . . . . . . . . . . . 4319 3 6 1JHNN . 1 1 18 18 GLY H H 1 . . 1 1 18 18 GLY N N 15 . 94.312 . . 0.051 . . . . . . . . . . . 4319 3 7 1JHNN . 1 1 19 19 ASP H H 1 . . 1 1 19 19 ASP N N 15 . 91.062 . . 0.048 . . . . . . . . . . . 4319 3 8 1JHNN . 1 1 21 21 ASP H H 1 . . 1 1 21 21 ASP N N 15 . 94.217 . . 0.0416 . . . . . . . . . . . 4319 3 9 1JHNN . 1 1 22 22 ASN H H 1 . . 1 1 22 22 ASN N N 15 . 92.133 . . 0.0454 . . . . . . . . . . . 4319 3 10 1JHNN . 1 1 23 23 GLY H H 1 . . 1 1 23 23 GLY N N 15 . 93.886 . . 0.0213 . . . . . . . . . . . 4319 3 11 1JHNN . 1 1 24 24 VAL H H 1 . . 1 1 24 24 VAL N N 15 . 92.976 . . 0.0708 . . . . . . . . . . . 4319 3 12 1JHNN . 1 1 25 25 ASN H H 1 . . 1 1 25 25 ASN N N 15 . 95.273 . . 0.0275 . . . . . . . . . . . 4319 3 13 1JHNN . 1 1 27 27 GLY H H 1 . . 1 1 27 27 GLY N N 15 . 93.853 . . 0.0237 . . . . . . . . . . . 4319 3 14 1JHNN . 1 1 28 28 THR H H 1 . . 1 1 28 28 THR N N 15 . 92.944 . . 0.0523 . . . . . . . . . . . 4319 3 15 1JHNN . 1 1 29 29 ASP H H 1 . . 1 1 29 29 ASP N N 15 . 94.382 . . 0.0236 . . . . . . . . . . . 4319 3 16 1JHNN . 1 1 30 30 PHE H H 1 . . 1 1 30 30 PHE N N 15 . 93.676 . . 0.0324 . . . . . . . . . . . 4319 3 17 1JHNN . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS N N 15 . 93.340 . . 0.0484 . . . . . . . . . . . 4319 3 18 1JHNN . 1 1 32 32 ASP H H 1 . . 1 1 32 32 ASP N N 15 . 92.765 . . 0.0367 . . . . . . . . . . . 4319 3 19 1JHNN . 1 1 33 33 ILE H H 1 . . 1 1 33 33 ILE N N 15 . 93.800 . . 0.0276 . . . . . . . . . . . 4319 3 20 1JHNN . 1 1 35 35 ASP H H 1 . . 1 1 35 35 ASP N N 15 . 92.525 . . 0.0704 . . . . . . . . . . . 4319 3 21 1JHNN . 1 1 36 36 ASP H H 1 . . 1 1 36 36 ASP N N 15 . 93.638 . . 0.0341 . . . . . . . . . . . 4319 3 22 1JHNN . 1 1 37 37 TRP H H 1 . . 1 1 37 37 TRP N N 15 . 93.572 . . 0.1193 . . . . . . . . . . . 4319 3 23 1JHNN . 1 1 51 51 GLU H H 1 . . 1 1 51 51 GLU N N 15 . 93.998 . . 0.0857 . . . . . . . . . . . 4319 3 24 1JHNN . 1 1 52 52 VAL H H 1 . . 1 1 52 52 VAL N N 15 . 93.299 . . 0.1255 . . . . . . . . . . . 4319 3 25 1JHNN . 1 1 53 53 GLU H H 1 . . 1 1 53 53 GLU N N 15 . 93.656 . . 0.0611 . . . . . . . . . . . 4319 3 26 1JHNN . 1 1 54 54 GLU H H 1 . . 1 1 54 54 GLU N N 15 . 92.569 . . 0.0182 . . . . . . . . . . . 4319 3 stop_ save_ ######################## # Coupling constants # ######################## save_400_NH _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 400_NH _Coupling_constant_list.Entry_ID 4319 _Coupling_constant_list.ID 4 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $conditions_one _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_one . 4319 4 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 2 $dipfit . . 4319 4 1 $FELIX95 . . 4319 4 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 1JHNN . 1 1 2 2 LYS H H 1 . . 1 1 2 2 LYS N N 15 . 93.322 . . 0.0178 . . . . . . . . . . . 4319 4 2 1JHNN . 1 1 3 3 LYS H H 1 . . 1 1 3 3 LYS N N 15 . 92.389 . . 0.0207 . . . . . . . . . . . 4319 4 3 1JHNN . 1 1 14 14 ASN H H 1 . . 1 1 14 14 ASN N N 15 . 94.75 . . 0.3881 . . . . . . . . . . . 4319 4 4 1JHNN . 1 1 16 16 GLU H H 1 . . 1 1 16 16 GLU N N 15 . 93.222 . . 0.0143 . . . . . . . . . . . 4319 4 5 1JHNN . 1 1 17 17 ASP H H 1 . . 1 1 17 17 ASP N N 15 . 92.185 . . 0.0333 . . . . . . . . . . . 4319 4 6 1JHNN . 1 1 18 18 GLY H H 1 . . 1 1 18 18 GLY N N 15 . 94.728 . . 0.0203 . . . . . . . . . . . 4319 4 7 1JHNN . 1 1 19 19 ASP H H 1 . . 1 1 19 19 ASP N N 15 . 91.312 . . 0.0272 . . . . . . . . . . . 4319 4 8 1JHNN . 1 1 21 21 ASP H H 1 . . 1 1 21 21 ASP N N 15 . 94.417 . . 0.0221 . . . . . . . . . . . 4319 4 9 1JHNN . 1 1 22 22 ASN H H 1 . . 1 1 22 22 ASN N N 15 . 92.307 . . 0.0348 . . . . . . . . . . . 4319 4 10 1JHNN . 1 1 23 23 GLY H H 1 . . 1 1 23 23 GLY N N 15 . 93.773 . . 0.0118 . . . . . . . . . . . 4319 4 11 1JHNN . 1 1 24 24 VAL H H 1 . . 1 1 24 24 VAL N N 15 . 93.276 . . 0.0157 . . . . . . . . . . . 4319 4 12 1JHNN . 1 1 25 25 ASN H H 1 . . 1 1 25 25 ASN N N 15 . 95.427 . . 0.0135 . . . . . . . . . . . 4319 4 13 1JHNN . 1 1 27 27 GLY H H 1 . . 1 1 27 27 GLY N N 15 . 94.153 . . 0.0106 . . . . . . . . . . . 4319 4 14 1JHNN . 1 1 28 28 THR H H 1 . . 1 1 28 28 THR N N 15 . 93.292 . . 0.0105 . . . . . . . . . . . 4319 4 15 1JHNN . 1 1 29 29 ASP H H 1 . . 1 1 29 29 ASP N N 15 . 94.724 . . 0.0101 . . . . . . . . . . . 4319 4 16 1JHNN . 1 1 30 30 PHE H H 1 . . 1 1 30 30 PHE N N 15 . 93.886 . . 0.0175 . . . . . . . . . . . 4319 4 17 1JHNN . 1 1 31 31 LYS H H 1 . . 1 1 31 31 LYS N N 15 . 93.391 . . 0.0131 . . . . . . . . . . . 4319 4 18 1JHNN . 1 1 32 32 ASP H H 1 . . 1 1 32 32 ASP N N 15 . 92.687 . . 0.0213 . . . . . . . . . . . 4319 4 19 1JHNN . 1 1 33 33 ILE H H 1 . . 1 1 33 33 ILE N N 15 . 94.2 . . 0.0209 . . . . . . . . . . . 4319 4 20 1JHNN . 1 1 35 35 ASP H H 1 . . 1 1 35 35 ASP N N 15 . 92.767 . . 0.0126 . . . . . . . . . . . 4319 4 21 1JHNN . 1 1 36 36 ASP H H 1 . . 1 1 36 36 ASP N N 15 . 93.735 . . 0.0168 . . . . . . . . . . . 4319 4 22 1JHNN . 1 1 37 37 TRP H H 1 . . 1 1 37 37 TRP N N 15 . 93.888 . . 0.0604 . . . . . . . . . . . 4319 4 23 1JHNN . 1 1 51 51 GLU H H 1 . . 1 1 51 51 GLU N N 15 . 93.856 . . 0.0415 . . . . . . . . . . . 4319 4 24 1JHNN . 1 1 52 52 VAL H H 1 . . 1 1 52 52 VAL N N 15 . 93.417 . . 0.0437 . . . . . . . . . . . 4319 4 25 1JHNN . 1 1 53 53 GLU H H 1 . . 1 1 53 53 GLU N N 15 . 93.724 . . 0.0173 . . . . . . . . . . . 4319 4 26 1JHNN . 1 1 54 54 GLU H H 1 . . 1 1 54 54 GLU N N 15 . 92.694 . . 0.0069 . . . . . . . . . . . 4319 4 stop_ save_