######################## # Coupling constants # ######################## save_3JHNHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JHNHA _Coupling_constant_list.Entry_ID 16469 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details ; cross/auto peak ratios were corrected to account for the 2H proportion. Here, D2O was at 10% conc., requiring ratios be divided by 0.9 or, alternatively, the raw J values multiplied by an average tan-squared factor of 1.049. The critical delay used was 17 ms. See Lohr et al., 1999. ; _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 '3D-HA[HB,HN](CACO)NH quantitative J correlation' . . . 16469 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 3JHNHA . 1 1 2 2 CYS HN H 1 1 . 1 1 2 2 CYS HA H 1 1 2.07 . . 0.35 . . . . . . . . . . . 16469 1 2 3JHNHA . 1 1 3 3 ASP HN H 1 1 . 1 1 3 3 ASP HA H 1 1 6.80 . . 0.35 . . . . . . . . . . . 16469 1 3 3JHNHA . 1 1 4 4 TYR HN H 1 1 . 1 1 4 4 TYR HA H 1 1 8.74 . . 0.35 . . . . . . . . . . . 16469 1 4 3JHNHA . 1 1 5 5 THR HN H 1 1 . 1 1 5 5 THR HA H 1 1 9.47 . . 0.35 . . . . . . . . . . . 16469 1 5 3JHNHA . 1 1 6 6 CYS HN H 1 1 . 1 1 6 6 CYS HA H 1 1 7.88 . . 0.35 . . . . . . . . . . . 16469 1 6 3JHNHA . 1 1 8 8 SER HN H 1 1 . 1 1 8 8 SER HA H 1 1 6.74 . . 0.35 . . . . . . . . . . . 16469 1 7 3JHNHA . 1 1 9 9 ASN HN H 1 1 . 1 1 9 9 ASN HA H 1 1 8.52 . . 0.35 . . . . . . . . . . . 16469 1 8 3JHNHA . 1 1 10 10 CYS HN H 1 1 . 1 1 10 10 CYS HA H 1 1 8.38 . . 0.35 . . . . . . . . . . . 16469 1 9 3JHNHA . 1 1 11 11 TYR HN H 1 1 . 1 1 11 11 TYR HA H 1 1 9.51 . . 0.35 . . . . . . . . . . . 16469 1 10 3JHNHA . 1 1 12 12 SER HN H 1 1 . 1 1 12 12 SER HA H 1 1 7.91 . . 0.35 . . . . . . . . . . . 16469 1 11 3JHNHA . 1 1 14 14 SER HN H 1 1 . 1 1 14 14 SER HA H 1 1 4.91 . . 0.35 . . . . . . . . . . . 16469 1 12 3JHNHA . 1 1 15 15 ASP HN H 1 1 . 1 1 15 15 ASP HA H 1 1 4.30 . . 0.35 . . . . . . . . . . . 16469 1 13 3JHNHA . 1 1 16 16 VAL HN H 1 1 . 1 1 16 16 VAL HA H 1 1 5.14 . . 0.35 . . . . . . . . . . . 16469 1 14 3JHNHA . 1 1 18 18 THR HN H 1 1 . 1 1 18 18 THR HA H 1 1 3.63 . . 0.35 . . . . . . . . . . . 16469 1 15 3JHNHA . 1 1 19 19 ALA HN H 1 1 . 1 1 19 19 ALA HA H 1 1 4.29 . . 0.35 . . . . . . . . . . . 16469 1 16 3JHNHA . 1 1 20 20 GLN HN H 1 1 . 1 1 20 20 GLN HA H 1 1 3.08 . . 0.35 . . . . . . . . . . . 16469 1 17 3JHNHA . 1 1 21 21 ALA HN H 1 1 . 1 1 21 21 ALA HA H 1 1 3.73 . . 0.35 . . . . . . . . . . . 16469 1 18 3JHNHA . 1 1 22 22 ALA HN H 1 1 . 1 1 22 22 ALA HA H 1 1 5.33 . . 0.35 . . . . . . . . . . . 16469 1 19 3JHNHA . 1 1 24 24 TYR HN H 1 1 . 1 1 24 24 TYR HA H 1 1 3.50 . . 0.35 . . . . . . . . . . . 16469 1 20 3JHNHA . 1 1 25 25 LYS HN H 1 1 . 1 1 25 25 LYS HA H 1 1 4.13 . . 0.35 . . . . . . . . . . . 16469 1 21 3JHNHA . 1 1 26 26 LEU HN H 1 1 . 1 1 26 26 LEU HA H 1 1 4.65 . . 0.35 . . . . . . . . . . . 16469 1 22 3JHNHA . 1 1 27 27 HIS HN H 1 1 . 1 1 27 27 HIS HA H 1 1 6.88 . . 0.35 . . . . . . . . . . . 16469 1 23 3JHNHA . 1 1 28 28 GLU HN H 1 1 . 1 1 28 28 GLU HA H 1 1 4.20 . . 0.35 . . . . . . . . . . . 16469 1 24 3JHNHA . 1 1 29 29 ASP HN H 1 1 . 1 1 29 29 ASP HA H 1 1 5.83 . . 0.35 . . . . . . . . . . . 16469 1 25 3JHNHA . 1 1 31 31 GLU HN H 1 1 . 1 1 31 31 GLU HA H 1 1 9.13 . . 0.35 . . . . . . . . . . . 16469 1 26 3JHNHA . 1 1 32 32 THR HN H 1 1 . 1 1 32 32 THR HA H 1 1 8.77 . . 0.35 . . . . . . . . . . . 16469 1 27 3JHNHA . 1 1 33 33 VAL HN H 1 1 . 1 1 33 33 VAL HA H 1 1 8.61 . . 0.35 . . . . . . . . . . . 16469 1 28 3JHNHA . 1 1 36 36 ASN HN H 1 1 . 1 1 36 36 ASN HA H 1 1 4.95 . . 0.35 . . . . . . . . . . . 16469 1 29 3JHNHA . 1 1 37 37 SER HN H 1 1 . 1 1 37 37 SER HA H 1 1 6.54 . . 0.35 . . . . . . . . . . . 16469 1 30 3JHNHA . 1 1 40 40 HIS HN H 1 1 . 1 1 40 40 HIS HA H 1 1 7.96 . . 0.35 . . . . . . . . . . . 16469 1 31 3JHNHA . 1 1 41 41 LYS HN H 1 1 . 1 1 41 41 LYS HA H 1 1 2.54 . . 0.35 . . . . . . . . . . . 16469 1 32 3JHNHA . 1 1 42 42 TYR HN H 1 1 . 1 1 42 42 TYR HA H 1 1 8.65 . . 0.35 . . . . . . . . . . . 16469 1 33 3JHNHA . 1 1 43 43 ASN HN H 1 1 . 1 1 43 43 ASN HA H 1 1 5.63 . . 0.35 . . . . . . . . . . . 16469 1 34 3JHNHA . 1 1 45 45 TYR HN H 1 1 . 1 1 45 45 TYR HA H 1 1 4.27 . . 0.35 . . . . . . . . . . . 16469 1 35 3JHNHA . 1 1 46 46 GLU HN H 1 1 . 1 1 46 46 GLU HA H 1 1 4.11 . . 0.35 . . . . . . . . . . . 16469 1 36 3JHNHA . 1 1 48 48 PHE HN H 1 1 . 1 1 48 48 PHE HA H 1 1 5.00 . . 0.35 . . . . . . . . . . . 16469 1 37 3JHNHA . 1 1 49 49 ASP HN H 1 1 . 1 1 49 49 ASP HA H 1 1 7.50 . . 0.35 . . . . . . . . . . . 16469 1 38 3JHNHA . 1 1 50 50 PHE HN H 1 1 . 1 1 50 50 PHE HA H 1 1 6.11 . . 0.35 . . . . . . . . . . . 16469 1 39 3JHNHA . 1 1 51 51 SER HN H 1 1 . 1 1 51 51 SER HA H 1 1 6.72 . . 0.35 . . . . . . . . . . . 16469 1 40 3JHNHA . 1 1 52 52 VAL HN H 1 1 . 1 1 52 52 VAL HA H 1 1 8.58 . . 0.35 . . . . . . . . . . . 16469 1 41 3JHNHA . 1 1 53 53 SER HN H 1 1 . 1 1 53 53 SER HA H 1 1 4.00 . . 0.35 . . . . . . . . . . . 16469 1 42 3JHNHA . 1 1 56 56 TYR HN H 1 1 . 1 1 56 56 TYR HA H 1 1 8.92 . . 0.35 . . . . . . . . . . . 16469 1 43 3JHNHA . 1 1 57 57 TYR HN H 1 1 . 1 1 57 57 TYR HA H 1 1 9.30 . . 0.35 . . . . . . . . . . . 16469 1 44 3JHNHA . 1 1 58 58 GLU HN H 1 1 . 1 1 58 58 GLU HA H 1 1 9.41 . . 0.35 . . . . . . . . . . . 16469 1 45 3JHNHA . 1 1 61 61 ILE HN H 1 1 . 1 1 61 61 ILE HA H 1 1 7.84 . . 0.35 . . . . . . . . . . . 16469 1 46 3JHNHA . 1 1 62 62 LEU HN H 1 1 . 1 1 62 62 LEU HA H 1 1 8.38 . . 0.35 . . . . . . . . . . . 16469 1 47 3JHNHA . 1 1 63 63 SER HN H 1 1 . 1 1 63 63 SER HA H 1 1 3.22 . . 0.35 . . . . . . . . . . . 16469 1 48 3JHNHA . 1 1 64 64 SER HN H 1 1 . 1 1 64 64 SER HA H 1 1 4.89 . . 0.35 . . . . . . . . . . . 16469 1 49 3JHNHA . 1 1 66 66 ASP HN H 1 1 . 1 1 66 66 ASP HA H 1 1 7.02 . . 0.35 . . . . . . . . . . . 16469 1 50 3JHNHA . 1 1 67 67 VAL HN H 1 1 . 1 1 67 67 VAL HA H 1 1 7.55 . . 0.35 . . . . . . . . . . . 16469 1 51 3JHNHA . 1 1 68 68 TYR HN H 1 1 . 1 1 68 68 TYR HA H 1 1 3.98 . . 0.35 . . . . . . . . . . . 16469 1 52 3JHNHA . 1 1 75 75 ALA HN H 1 1 . 1 1 75 75 ALA HA H 1 1 6.68 . . 0.35 . . . . . . . . . . . 16469 1 53 3JHNHA . 1 1 76 76 ASP HN H 1 1 . 1 1 76 76 ASP HA H 1 1 8.63 . . 0.35 . . . . . . . . . . . 16469 1 54 3JHNHA . 1 1 77 77 ARG HN H 1 1 . 1 1 77 77 ARG HA H 1 1 9.44 . . 0.35 . . . . . . . . . . . 16469 1 55 3JHNHA . 1 1 78 78 VAL HN H 1 1 . 1 1 78 78 VAL HA H 1 1 8.11 . . 0.35 . . . . . . . . . . . 16469 1 56 3JHNHA . 1 1 79 79 VAL HN H 1 1 . 1 1 79 79 VAL HA H 1 1 9.86 . . 0.35 . . . . . . . . . . . 16469 1 57 3JHNHA . 1 1 80 80 PHE HN H 1 1 . 1 1 80 80 PHE HA H 1 1 9.79 . . 0.35 . . . . . . . . . . . 16469 1 58 3JHNHA . 1 1 81 81 ASN HN H 1 1 . 1 1 81 81 ASN HA H 1 1 9.76 . . 0.35 . . . . . . . . . . . 16469 1 59 3JHNHA . 1 1 82 82 GLU HN H 1 1 . 1 1 82 82 GLU HA H 1 1 2.91 . . 0.35 . . . . . . . . . . . 16469 1 60 3JHNHA . 1 1 83 83 ASN HN H 1 1 . 1 1 83 83 ASN HA H 1 1 9.12 . . 0.35 . . . . . . . . . . . 16469 1 61 3JHNHA . 1 1 84 84 ASN HN H 1 1 . 1 1 84 84 ASN HA H 1 1 7.51 . . 0.35 . . . . . . . . . . . 16469 1 62 3JHNHA . 1 1 85 85 GLN HN H 1 1 . 1 1 85 85 GLN HA H 1 1 9.01 . . 0.35 . . . . . . . . . . . 16469 1 63 3JHNHA . 1 1 86 86 LEU HN H 1 1 . 1 1 86 86 LEU HA H 1 1 5.21 . . 0.35 . . . . . . . . . . . 16469 1 64 3JHNHA . 1 1 87 87 ALA HN H 1 1 . 1 1 87 87 ALA HA H 1 1 8.27 . . 0.35 . . . . . . . . . . . 16469 1 65 3JHNHA . 1 1 89 89 VAL HN H 1 1 . 1 1 89 89 VAL HA H 1 1 9.18 . . 0.35 . . . . . . . . . . . 16469 1 66 3JHNHA . 1 1 90 90 ILE HN H 1 1 . 1 1 90 90 ILE HA H 1 1 8.96 . . 0.35 . . . . . . . . . . . 16469 1 67 3JHNHA . 1 1 91 91 THR HN H 1 1 . 1 1 91 91 THR HA H 1 1 9.16 . . 0.35 . . . . . . . . . . . 16469 1 68 3JHNHA . 1 1 92 92 HIS HN H 1 1 . 1 1 92 92 HIS HA H 1 1 7.69 . . 0.35 . . . . . . . . . . . 16469 1 69 3JHNHA . 1 1 93 93 THR HN H 1 1 . 1 1 93 93 THR HA H 1 1 4.22 . . 0.35 . . . . . . . . . . . 16469 1 70 3JHNHA . 1 1 95 95 ALA HN H 1 1 . 1 1 95 95 ALA HA H 1 1 7.74 . . 0.35 . . . . . . . . . . . 16469 1 71 3JHNHA . 1 1 96 96 SER HN H 1 1 . 1 1 96 96 SER HA H 1 1 7.19 . . 0.35 . . . . . . . . . . . 16469 1 72 3JHNHA . 1 1 98 98 ASN HN H 1 1 . 1 1 98 98 ASN HA H 1 1 6.04 . . 0.35 . . . . . . . . . . . 16469 1 73 3JHNHA . 1 1 99 99 ASN HN H 1 1 . 1 1 99 99 ASN HA H 1 1 6.85 . . 0.35 . . . . . . . . . . . 16469 1 74 3JHNHA . 1 1 100 100 PHE HN H 1 1 . 1 1 100 100 PHE HA H 1 1 9.39 . . 0.35 . . . . . . . . . . . 16469 1 75 3JHNHA . 1 1 101 101 VAL HN H 1 1 . 1 1 101 101 VAL HA H 1 1 8.46 . . 0.35 . . . . . . . . . . . 16469 1 76 3JHNHA . 1 1 102 102 GLU HN H 1 1 . 1 1 102 102 GLU HA H 1 1 4.86 . . 0.35 . . . . . . . . . . . 16469 1 77 3JHNHA . 1 1 103 103 CYS HN H 1 1 . 1 1 103 103 CYS HA H 1 1 7.77 . . 0.35 . . . . . . . . . . . 16469 1 stop_ save_ ######################## # Coupling constants # ######################## save_3JHNCO _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JHNCO _Coupling_constant_list.Entry_ID 16469 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details ; Lohr and Ruterjans, 1995 Wang and Bax, 1995 Schmidt et al., 1996 ; _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 3D-[15N,1H]-TROSY-(H)CANNH[CO]-E.COSY . . . 16469 2 3 '3D-heteronuclear relayed E.COSY' . . . 16469 2 4 3D-[15N,1H]-TROSY-HNCA[CO]-E.COSY . . . 16469 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 3JHNCO . 1 1 3 3 ASP HN H 1 1 . 1 1 3 3 ASP C C 13 1 0.63 . . 0.35 . . . . . . . . . . . 16469 2 2 3JHNCO . 1 1 4 4 TYR HN H 1 1 . 1 1 4 4 TYR C C 13 1 0.99 . . 0.35 . . . . . . . . . . . 16469 2 3 3JHNCO . 1 1 5 5 THR HN H 1 1 . 1 1 5 5 THR C C 13 1 0.23 . . 0.35 . . . . . . . . . . . 16469 2 4 3JHNCO . 1 1 6 6 CYS HN H 1 1 . 1 1 6 6 CYS C C 13 1 0.61 . . 0.35 . . . . . . . . . . . 16469 2 5 3JHNCO . 1 1 7 7 GLY HN H 1 1 . 1 1 7 7 GLY C C 13 1 0.70 . . 0.35 . . . . . . . . . . . 16469 2 6 3JHNCO . 1 1 8 8 SER HN H 1 1 . 1 1 8 8 SER C C 13 1 0.00 . . 0.35 . . . . . . . . . . . 16469 2 7 3JHNCO . 1 1 9 9 ASN HN H 1 1 . 1 1 9 9 ASN C C 13 1 0.02 . . 0.35 . . . . . . . . . . . 16469 2 8 3JHNCO . 1 1 10 10 CYS HN H 1 1 . 1 1 10 10 CYS C C 13 1 0.25 . . 0.35 . . . . . . . . . . . 16469 2 9 3JHNCO . 1 1 11 11 TYR HN H 1 1 . 1 1 11 11 TYR C C 13 1 0.47 . . 0.35 . . . . . . . . . . . 16469 2 10 3JHNCO . 1 1 12 12 SER HN H 1 1 . 1 1 12 12 SER C C 13 1 -0.51 . . 0.35 . . . . . . . . . . . 16469 2 11 3JHNCO . 1 1 14 14 SER HN H 1 1 . 1 1 14 14 SER C C 13 1 1.07 . . 0.35 . . . . . . . . . . . 16469 2 12 3JHNCO . 1 1 15 15 ASP HN H 1 1 . 1 1 15 15 ASP C C 13 1 1.37 . . 0.35 . . . . . . . . . . . 16469 2 13 3JHNCO . 1 1 16 16 VAL HN H 1 1 . 1 1 16 16 VAL C C 13 1 0.81 . . 0.35 . . . . . . . . . . . 16469 2 14 3JHNCO . 1 1 17 17 SER HN H 1 1 . 1 1 17 17 SER C C 13 1 1.49 . . 0.35 . . . . . . . . . . . 16469 2 15 3JHNCO . 1 1 18 18 THR HN H 1 1 . 1 1 18 18 THR C C 13 1 1.45 . . 0.35 . . . . . . . . . . . 16469 2 16 3JHNCO . 1 1 19 19 ALA HN H 1 1 . 1 1 19 19 ALA C C 13 1 0.94 . . 0.35 . . . . . . . . . . . 16469 2 17 3JHNCO . 1 1 20 20 GLN HN H 1 1 . 1 1 20 20 GLN C C 13 1 1.81 . . 0.35 . . . . . . . . . . . 16469 2 18 3JHNCO . 1 1 21 21 ALA HN H 1 1 . 1 1 21 21 ALA C C 13 1 1.84 . . 0.35 . . . . . . . . . . . 16469 2 19 3JHNCO . 1 1 22 22 ALA HN H 1 1 . 1 1 22 22 ALA C C 13 1 0.77 . . 0.35 . . . . . . . . . . . 16469 2 20 3JHNCO . 1 1 23 23 GLY HN H 1 1 . 1 1 23 23 GLY C C 13 1 1.14 . . 0.35 . . . . . . . . . . . 16469 2 21 3JHNCO . 1 1 24 24 TYR HN H 1 1 . 1 1 24 24 TYR C C 13 1 1.56 . . 0.35 . . . . . . . . . . . 16469 2 22 3JHNCO . 1 1 25 25 LYS HN H 1 1 . 1 1 25 25 LYS C C 13 1 1.50 . . 0.35 . . . . . . . . . . . 16469 2 23 3JHNCO . 1 1 26 26 LEU HN H 1 1 . 1 1 26 26 LEU C C 13 1 0.97 . . 0.35 . . . . . . . . . . . 16469 2 24 3JHNCO . 1 1 27 27 HIS HN H 1 1 . 1 1 27 27 HIS C C 13 1 1.35 . . 0.35 . . . . . . . . . . . 16469 2 25 3JHNCO . 1 1 28 28 GLU HN H 1 1 . 1 1 28 28 GLU C C 13 1 1.75 . . 0.35 . . . . . . . . . . . 16469 2 26 3JHNCO . 1 1 29 29 ASP HN H 1 1 . 1 1 29 29 ASP C C 13 1 0.46 . . 0.35 . . . . . . . . . . . 16469 2 27 3JHNCO . 1 1 30 30 GLY HN H 1 1 . 1 1 30 30 GLY C C 13 1 0.57 . . 0.35 . . . . . . . . . . . 16469 2 28 3JHNCO . 1 1 31 31 GLU HN H 1 1 . 1 1 31 31 GLU C C 13 1 0.39 . . 0.35 . . . . . . . . . . . 16469 2 29 3JHNCO . 1 1 32 32 THR HN H 1 1 . 1 1 32 32 THR C C 13 1 1.68 . . 0.35 . . . . . . . . . . . 16469 2 30 3JHNCO . 1 1 33 33 VAL HN H 1 1 . 1 1 33 33 VAL C C 13 1 1.36 . . 0.35 . . . . . . . . . . . 16469 2 31 3JHNCO . 1 1 34 34 GLY HN H 1 1 . 1 1 34 34 GLY C C 13 1 0.21 . . 0.35 . . . . . . . . . . . 16469 2 32 3JHNCO . 1 1 37 37 SER HN H 1 1 . 1 1 37 37 SER C C 13 1 3.36 . . 0.35 . . . . . . . . . . . 16469 2 33 3JHNCO . 1 1 38 38 TYR HN H 1 1 . 1 1 38 38 TYR C C 13 1 -0.21 . . 0.35 . . . . . . . . . . . 16469 2 34 3JHNCO . 1 1 40 40 HIS HN H 1 1 . 1 1 40 40 HIS C C 13 1 1.85 . . 0.35 . . . . . . . . . . . 16469 2 35 3JHNCO . 1 1 41 41 LYS HN H 1 1 . 1 1 41 41 LYS C C 13 1 2.04 . . 0.35 . . . . . . . . . . . 16469 2 36 3JHNCO . 1 1 42 42 TYR HN H 1 1 . 1 1 42 42 TYR C C 13 1 0.47 . . 0.35 . . . . . . . . . . . 16469 2 37 3JHNCO . 1 1 43 43 ASN HN H 1 1 . 1 1 43 43 ASN C C 13 1 0.62 . . 0.35 . . . . . . . . . . . 16469 2 38 3JHNCO . 1 1 44 44 ASN HN H 1 1 . 1 1 44 44 ASN C C 13 1 2.66 . . 0.35 . . . . . . . . . . . 16469 2 39 3JHNCO . 1 1 45 45 TYR HN H 1 1 . 1 1 45 45 TYR C C 13 1 1.12 . . 0.35 . . . . . . . . . . . 16469 2 40 3JHNCO . 1 1 46 46 GLU HN H 1 1 . 1 1 46 46 GLU C C 13 1 1.36 . . 0.35 . . . . . . . . . . . 16469 2 41 3JHNCO . 1 1 47 47 GLY HN H 1 1 . 1 1 47 47 GLY C C 13 1 1.15 . . 0.35 . . . . . . . . . . . 16469 2 42 3JHNCO . 1 1 48 48 PHE HN H 1 1 . 1 1 48 48 PHE C C 13 1 0.42 . . 0.35 . . . . . . . . . . . 16469 2 43 3JHNCO . 1 1 49 49 ASP HN H 1 1 . 1 1 49 49 ASP C C 13 1 0.26 . . 0.35 . . . . . . . . . . . 16469 2 44 3JHNCO . 1 1 50 50 PHE HN H 1 1 . 1 1 50 50 PHE C C 13 1 0.63 . . 0.35 . . . . . . . . . . . 16469 2 45 3JHNCO . 1 1 51 51 SER HN H 1 1 . 1 1 51 51 SER C C 13 1 0.51 . . 0.35 . . . . . . . . . . . 16469 2 46 3JHNCO . 1 1 52 52 VAL HN H 1 1 . 1 1 52 52 VAL C C 13 1 1.24 . . 0.35 . . . . . . . . . . . 16469 2 47 3JHNCO . 1 1 53 53 SER HN H 1 1 . 1 1 53 53 SER C C 13 1 1.28 . . 0.35 . . . . . . . . . . . 16469 2 48 3JHNCO . 1 1 54 54 SER HN H 1 1 . 1 1 54 54 SER C C 13 1 0.27 . . 0.35 . . . . . . . . . . . 16469 2 49 3JHNCO . 1 1 56 56 TYR HN H 1 1 . 1 1 56 56 TYR C C 13 1 0.16 . . 0.35 . . . . . . . . . . . 16469 2 50 3JHNCO . 1 1 57 57 TYR HN H 1 1 . 1 1 57 57 TYR C C 13 1 0.68 . . 0.35 . . . . . . . . . . . 16469 2 51 3JHNCO . 1 1 58 58 GLU HN H 1 1 . 1 1 58 58 GLU C C 13 1 0.07 . . 0.35 . . . . . . . . . . . 16469 2 52 3JHNCO . 1 1 59 59 TRP HN H 1 1 . 1 1 59 59 TRP C C 13 1 0.87 . . 0.35 . . . . . . . . . . . 16469 2 53 3JHNCO . 1 1 61 61 ILE HN H 1 1 . 1 1 61 61 ILE C C 13 1 1.39 . . 0.35 . . . . . . . . . . . 16469 2 54 3JHNCO . 1 1 62 62 LEU HN H 1 1 . 1 1 62 62 LEU C C 13 1 0.03 . . 0.35 . . . . . . . . . . . 16469 2 55 3JHNCO . 1 1 63 63 SER HN H 1 1 . 1 1 63 63 SER C C 13 1 2.16 . . 0.35 . . . . . . . . . . . 16469 2 56 3JHNCO . 1 1 64 64 SER HN H 1 1 . 1 1 64 64 SER C C 13 1 1.01 . . 0.35 . . . . . . . . . . . 16469 2 57 3JHNCO . 1 1 65 65 GLY HN H 1 1 . 1 1 65 65 GLY C C 13 1 0.17 . . 0.35 . . . . . . . . . . . 16469 2 58 3JHNCO . 1 1 66 66 ASP HN H 1 1 . 1 1 66 66 ASP C C 13 1 0.27 . . 0.35 . . . . . . . . . . . 16469 2 59 3JHNCO . 1 1 67 67 VAL HN H 1 1 . 1 1 67 67 VAL C C 13 1 0.16 . . 0.35 . . . . . . . . . . . 16469 2 60 3JHNCO . 1 1 68 68 TYR HN H 1 1 . 1 1 68 68 TYR C C 13 1 1.95 . . 0.35 . . . . . . . . . . . 16469 2 61 3JHNCO . 1 1 69 69 SER HN H 1 1 . 1 1 69 69 SER C C 13 1 0.52 . . 0.35 . . . . . . . . . . . 16469 2 62 3JHNCO . 1 1 74 74 GLY HN H 1 1 . 1 1 74 74 GLY C C 13 1 0.83 . . 0.35 . . . . . . . . . . . 16469 2 63 3JHNCO . 1 1 75 75 ALA HN H 1 1 . 1 1 75 75 ALA C C 13 1 0.03 . . 0.35 . . . . . . . . . . . 16469 2 64 3JHNCO . 1 1 76 76 ASP HN H 1 1 . 1 1 76 76 ASP C C 13 1 -0.25 . . 0.35 . . . . . . . . . . . 16469 2 65 3JHNCO . 1 1 77 77 ARG HN H 1 1 . 1 1 77 77 ARG C C 13 1 1.06 . . 0.35 . . . . . . . . . . . 16469 2 66 3JHNCO . 1 1 78 78 VAL HN H 1 1 . 1 1 78 78 VAL C C 13 1 0.72 . . 0.35 . . . . . . . . . . . 16469 2 67 3JHNCO . 1 1 79 79 VAL HN H 1 1 . 1 1 79 79 VAL C C 13 1 0.28 . . 0.35 . . . . . . . . . . . 16469 2 68 3JHNCO . 1 1 80 80 PHE HN H 1 1 . 1 1 80 80 PHE C C 13 1 1.70 . . 0.35 . . . . . . . . . . . 16469 2 69 3JHNCO . 1 1 81 81 ASN HN H 1 1 . 1 1 81 81 ASN C C 13 1 -0.06 . . 0.35 . . . . . . . . . . . 16469 2 70 3JHNCO . 1 1 82 82 GLU HN H 1 1 . 1 1 82 82 GLU C C 13 1 1.72 . . 0.35 . . . . . . . . . . . 16469 2 71 3JHNCO . 1 1 83 83 ASN HN H 1 1 . 1 1 83 83 ASN C C 13 1 0.16 . . 0.35 . . . . . . . . . . . 16469 2 72 3JHNCO . 1 1 84 84 ASN HN H 1 1 . 1 1 84 84 ASN C C 13 1 1.90 . . 0.35 . . . . . . . . . . . 16469 2 73 3JHNCO . 1 1 85 85 GLN HN H 1 1 . 1 1 85 85 GLN C C 13 1 -0.01 . . 0.35 . . . . . . . . . . . 16469 2 74 3JHNCO . 1 1 86 86 LEU HN H 1 1 . 1 1 86 86 LEU C C 13 1 0.54 . . 0.35 . . . . . . . . . . . 16469 2 75 3JHNCO . 1 1 87 87 ALA HN H 1 1 . 1 1 87 87 ALA C C 13 1 -0.05 . . 0.35 . . . . . . . . . . . 16469 2 76 3JHNCO . 1 1 88 88 GLY HN H 1 1 . 1 1 88 88 GLY C C 13 1 2.99 . . 0.35 . . . . . . . . . . . 16469 2 77 3JHNCO . 1 1 89 89 VAL HN H 1 1 . 1 1 89 89 VAL C C 13 1 1.20 . . 0.35 . . . . . . . . . . . 16469 2 78 3JHNCO . 1 1 90 90 ILE HN H 1 1 . 1 1 90 90 ILE C C 13 1 1.33 . . 0.35 . . . . . . . . . . . 16469 2 79 3JHNCO . 1 1 91 91 THR HN H 1 1 . 1 1 91 91 THR C C 13 1 1.50 . . 0.35 . . . . . . . . . . . 16469 2 80 3JHNCO . 1 1 92 92 HIS HN H 1 1 . 1 1 92 92 HIS C C 13 1 0.15 . . 0.35 . . . . . . . . . . . 16469 2 81 3JHNCO . 1 1 93 93 THR HN H 1 1 . 1 1 93 93 THR C C 13 1 0.92 . . 0.35 . . . . . . . . . . . 16469 2 82 3JHNCO . 1 1 94 94 GLY HN H 1 1 . 1 1 94 94 GLY C C 13 1 0.37 . . 0.35 . . . . . . . . . . . 16469 2 83 3JHNCO . 1 1 95 95 ALA HN H 1 1 . 1 1 95 95 ALA C C 13 1 0.35 . . 0.35 . . . . . . . . . . . 16469 2 84 3JHNCO . 1 1 96 96 SER HN H 1 1 . 1 1 96 96 SER C C 13 1 1.52 . . 0.35 . . . . . . . . . . . 16469 2 85 3JHNCO . 1 1 97 97 GLY HN H 1 1 . 1 1 97 97 GLY C C 13 1 2.76 . . 0.35 . . . . . . . . . . . 16469 2 86 3JHNCO . 1 1 98 98 ASN HN H 1 1 . 1 1 98 98 ASN C C 13 1 0.73 . . 0.35 . . . . . . . . . . . 16469 2 87 3JHNCO . 1 1 99 99 ASN HN H 1 1 . 1 1 99 99 ASN C C 13 1 0.37 . . 0.35 . . . . . . . . . . . 16469 2 88 3JHNCO . 1 1 100 100 PHE HN H 1 1 . 1 1 100 100 PHE C C 13 1 0.21 . . 0.35 . . . . . . . . . . . 16469 2 89 3JHNCO . 1 1 101 101 VAL HN H 1 1 . 1 1 101 101 VAL C C 13 1 1.73 . . 0.35 . . . . . . . . . . . 16469 2 90 3JHNCO . 1 1 102 102 GLU HN H 1 1 . 1 1 102 102 GLU C C 13 1 0.29 . . 0.35 . . . . . . . . . . . 16469 2 91 3JHNCO . 1 1 103 103 CYS HN H 1 1 . 1 1 103 103 CYS C C 13 1 0.03 . . 0.35 . . . . . . . . . . . 16469 2 92 3JHNCO . 1 1 104 104 THR HN H 1 1 . 1 1 104 104 THR C C 13 1 0.39 . . 0.35 . . . . . . . . . . . 16469 2 stop_ save_ ######################## # Coupling constants # ######################## save_3JHNCB _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JHNCB _Coupling_constant_list.Entry_ID 16469 _Coupling_constant_list.ID 3 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details ; Wang and Bax, 1996 Lohr, unpublished (2nd expt) ; _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 5 3D-[15N,1H]-TROSY-HNCA[CB]-E.COSY . . . 16469 3 6 '3D-[15N,1H]-TROSY-HNCB quantitative J correlation' . . . 16469 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 3JHNCb . 1 1 3 3 ASP HN H 1 1 . 1 1 3 3 ASP CB C 13 1 2.09 . . 0.35 . . . . . . . . . . . 16469 3 2 3JHNCb . 1 1 4 4 TYR HN H 1 1 . 1 1 4 4 TYR CB C 13 1 0.27 . . 0.35 . . . . . . . . . . . 16469 3 3 3JHNCb . 1 1 5 5 THR HN H 1 1 . 1 1 5 5 THR CB C 13 1 1.01 . . 0.35 . . . . . . . . . . . 16469 3 4 3JHNCb . 1 1 6 6 CYS HN H 1 1 . 1 1 6 6 CYS CB C 13 1 0.68 . . 0.35 . . . . . . . . . . . 16469 3 5 3JHNCb . 1 1 8 8 SER HN H 1 1 . 1 1 8 8 SER CB C 13 1 1.14 . . 0.35 . . . . . . . . . . . 16469 3 6 3JHNCb . 1 1 9 9 ASN HN H 1 1 . 1 1 9 9 ASN CB C 13 1 1.71 . . 0.35 . . . . . . . . . . . 16469 3 7 3JHNCb . 1 1 10 10 CYS HN H 1 1 . 1 1 10 10 CYS CB C 13 1 1.53 . . 0.35 . . . . . . . . . . . 16469 3 8 3JHNCb . 1 1 11 11 TYR HN H 1 1 . 1 1 11 11 TYR CB C 13 1 0.73 . . 0.35 . . . . . . . . . . . 16469 3 9 3JHNCb . 1 1 12 12 SER HN H 1 1 . 1 1 12 12 SER CB C 13 1 1.88 . . 0.35 . . . . . . . . . . . 16469 3 10 3JHNCb . 1 1 14 14 SER HN H 1 1 . 1 1 14 14 SER CB C 13 1 1.77 . . 0.35 . . . . . . . . . . . 16469 3 11 3JHNCb . 1 1 15 15 ASP HN H 1 1 . 1 1 15 15 ASP CB C 13 1 2.43 . . 0.35 . . . . . . . . . . . 16469 3 12 3JHNCb . 1 1 16 16 VAL HN H 1 1 . 1 1 16 16 VAL CB C 13 1 2.64 . . 0.35 . . . . . . . . . . . 16469 3 13 3JHNCb . 1 1 17 17 SER HN H 1 1 . 1 1 17 17 SER CB C 13 1 2.68 . . 0.35 . . . . . . . . . . . 16469 3 14 3JHNCb . 1 1 18 18 THR HN H 1 1 . 1 1 18 18 THR CB C 13 1 2.59 . . 0.35 . . . . . . . . . . . 16469 3 15 3JHNCb . 1 1 19 19 ALA HN H 1 1 . 1 1 19 19 ALA CB C 13 1 2.81 . . 0.35 . . . . . . . . . . . 16469 3 16 3JHNCb . 1 1 20 20 GLN HN H 1 1 . 1 1 20 20 GLN CB C 13 1 2.83 . . 0.35 . . . . . . . . . . . 16469 3 17 3JHNCb . 1 1 21 21 ALA HN H 1 1 . 1 1 21 21 ALA CB C 13 1 2.92 . . 0.35 . . . . . . . . . . . 16469 3 18 3JHNCb . 1 1 22 22 ALA HN H 1 1 . 1 1 22 22 ALA CB C 13 1 2.73 . . 0.35 . . . . . . . . . . . 16469 3 19 3JHNCb . 1 1 24 24 TYR HN H 1 1 . 1 1 24 24 TYR CB C 13 1 2.74 . . 0.35 . . . . . . . . . . . 16469 3 20 3JHNCb . 1 1 25 25 LYS HN H 1 1 . 1 1 25 25 LYS CB C 13 1 2.65 . . 0.35 . . . . . . . . . . . 16469 3 21 3JHNCb . 1 1 26 26 LEU HN H 1 1 . 1 1 26 26 LEU CB C 13 1 2.23 . . 0.35 . . . . . . . . . . . 16469 3 22 3JHNCb . 1 1 27 27 HIS HN H 1 1 . 1 1 27 27 HIS CB C 13 1 2.99 . . 0.35 . . . . . . . . . . . 16469 3 23 3JHNCb . 1 1 28 28 GLU HN H 1 1 . 1 1 28 28 GLU CB C 13 1 2.37 . . 0.35 . . . . . . . . . . . 16469 3 24 3JHNCb . 1 1 29 29 ASP HN H 1 1 . 1 1 29 29 ASP CB C 13 1 2.14 . . 0.35 . . . . . . . . . . . 16469 3 25 3JHNCb . 1 1 31 31 GLU HN H 1 1 . 1 1 31 31 GLU CB C 13 1 0.92 . . 0.35 . . . . . . . . . . . 16469 3 26 3JHNCb . 1 1 32 32 THR HN H 1 1 . 1 1 32 32 THR CB C 13 1 0.57 . . 0.35 . . . . . . . . . . . 16469 3 27 3JHNCb . 1 1 33 33 VAL HN H 1 1 . 1 1 33 33 VAL CB C 13 1 0.43 . . 0.35 . . . . . . . . . . . 16469 3 28 3JHNCb . 1 1 37 37 SER HN H 1 1 . 1 1 37 37 SER CB C 13 1 0.57 . . 0.35 . . . . . . . . . . . 16469 3 29 3JHNCb . 1 1 38 38 TYR HN H 1 1 . 1 1 38 38 TYR CB C 13 1 1.20 . . 0.35 . . . . . . . . . . . 16469 3 30 3JHNCb . 1 1 40 40 HIS HN H 1 1 . 1 1 40 40 HIS CB C 13 1 0.71 . . 0.35 . . . . . . . . . . . 16469 3 31 3JHNCb . 1 1 41 41 LYS HN H 1 1 . 1 1 41 41 LYS CB C 13 1 1.25 . . 0.35 . . . . . . . . . . . 16469 3 32 3JHNCb . 1 1 42 42 TYR HN H 1 1 . 1 1 42 42 TYR CB C 13 1 1.10 . . 0.35 . . . . . . . . . . . 16469 3 33 3JHNCb . 1 1 43 43 ASN HN H 1 1 . 1 1 43 43 ASN CB C 13 1 2.65 . . 0.35 . . . . . . . . . . . 16469 3 34 3JHNCb . 1 1 44 44 ASN HN H 1 1 . 1 1 44 44 ASN CB C 13 1 0.43 . . 0.35 . . . . . . . . . . . 16469 3 35 3JHNCb . 1 1 45 45 TYR HN H 1 1 . 1 1 45 45 TYR CB C 13 1 2.31 . . 0.35 . . . . . . . . . . . 16469 3 36 3JHNCb . 1 1 46 46 GLU HN H 1 1 . 1 1 46 46 GLU CB C 13 1 2.63 . . 0.35 . . . . . . . . . . . 16469 3 37 3JHNCb . 1 1 48 48 PHE HN H 1 1 . 1 1 48 48 PHE CB C 13 1 2.42 . . 0.35 . . . . . . . . . . . 16469 3 38 3JHNCb . 1 1 49 49 ASP HN H 1 1 . 1 1 49 49 ASP CB C 13 1 1.74 . . 0.35 . . . . . . . . . . . 16469 3 39 3JHNCb . 1 1 50 50 PHE HN H 1 1 . 1 1 50 50 PHE CB C 13 1 2.04 . . 0.35 . . . . . . . . . . . 16469 3 40 3JHNCb . 1 1 51 51 SER HN H 1 1 . 1 1 51 51 SER CB C 13 1 1.87 . . 0.35 . . . . . . . . . . . 16469 3 41 3JHNCb . 1 1 52 52 VAL HN H 1 1 . 1 1 52 52 VAL CB C 13 1 0.84 . . 0.35 . . . . . . . . . . . 16469 3 42 3JHNCb . 1 1 53 53 SER HN H 1 1 . 1 1 53 53 SER CB C 13 1 2.66 . . 0.35 . . . . . . . . . . . 16469 3 43 3JHNCb . 1 1 54 54 SER HN H 1 1 . 1 1 54 54 SER CB C 13 1 2.58 . . 0.35 . . . . . . . . . . . 16469 3 44 3JHNCb . 1 1 56 56 TYR HN H 1 1 . 1 1 56 56 TYR CB C 13 1 1.00 . . 0.35 . . . . . . . . . . . 16469 3 45 3JHNCb . 1 1 57 57 TYR HN H 1 1 . 1 1 57 57 TYR CB C 13 1 0.74 . . 0.35 . . . . . . . . . . . 16469 3 46 3JHNCb . 1 1 58 58 GLU HN H 1 1 . 1 1 58 58 GLU CB C 13 1 1.24 . . 0.35 . . . . . . . . . . . 16469 3 47 3JHNCb . 1 1 59 59 TRP HN H 1 1 . 1 1 59 59 TRP CB C 13 1 0.56 . . 0.35 . . . . . . . . . . . 16469 3 48 3JHNCb . 1 1 61 61 ILE HN H 1 1 . 1 1 61 61 ILE CB C 13 1 0.41 . . 0.35 . . . . . . . . . . . 16469 3 49 3JHNCb . 1 1 62 62 LEU HN H 1 1 . 1 1 62 62 LEU CB C 13 1 1.34 . . 0.35 . . . . . . . . . . . 16469 3 50 3JHNCb . 1 1 63 63 SER HN H 1 1 . 1 1 63 63 SER CB C 13 1 2.57 . . 0.35 . . . . . . . . . . . 16469 3 51 3JHNCb . 1 1 64 64 SER HN H 1 1 . 1 1 64 64 SER CB C 13 1 2.48 . . 0.35 . . . . . . . . . . . 16469 3 52 3JHNCb . 1 1 66 66 ASP HN H 1 1 . 1 1 66 66 ASP CB C 13 1 2.07 . . 0.35 . . . . . . . . . . . 16469 3 53 3JHNCb . 1 1 67 67 VAL HN H 1 1 . 1 1 67 67 VAL CB C 13 1 2.03 . . 0.35 . . . . . . . . . . . 16469 3 54 3JHNCb . 1 1 68 68 TYR HN H 1 1 . 1 1 68 68 TYR CB C 13 1 3.05 . . 0.35 . . . . . . . . . . . 16469 3 55 3JHNCb . 1 1 69 69 SER HN H 1 1 . 1 1 69 69 SER CB C 13 1 0.63 . . 0.35 . . . . . . . . . . . 16469 3 56 3JHNCb . 1 1 75 75 ALA HN H 1 1 . 1 1 75 75 ALA CB C 13 1 2.25 . . 0.35 . . . . . . . . . . . 16469 3 57 3JHNCb . 1 1 76 76 ASP HN H 1 1 . 1 1 76 76 ASP CB C 13 1 1.59 . . 0.35 . . . . . . . . . . . 16469 3 58 3JHNCb . 1 1 77 77 ARG HN H 1 1 . 1 1 77 77 ARG CB C 13 1 0.55 . . 0.35 . . . . . . . . . . . 16469 3 59 3JHNCb . 1 1 78 78 VAL HN H 1 1 . 1 1 78 78 VAL CB C 13 1 0.76 . . 0.35 . . . . . . . . . . . 16469 3 60 3JHNCb . 1 1 79 79 VAL HN H 1 1 . 1 1 79 79 VAL CB C 13 1 0.73 . . 0.35 . . . . . . . . . . . 16469 3 61 3JHNCb . 1 1 80 80 PHE HN H 1 1 . 1 1 80 80 PHE CB C 13 1 0.02 . . 0.35 . . . . . . . . . . . 16469 3 62 3JHNCb . 1 1 81 81 ASN HN H 1 1 . 1 1 81 81 ASN CB C 13 1 0.92 . . 0.35 . . . . . . . . . . . 16469 3 63 3JHNCb . 1 1 82 82 GLU HN H 1 1 . 1 1 82 82 GLU CB C 13 1 2.32 . . 0.35 . . . . . . . . . . . 16469 3 64 3JHNCb . 1 1 83 83 ASN HN H 1 1 . 1 1 83 83 ASN CB C 13 1 1.23 . . 0.35 . . . . . . . . . . . 16469 3 65 3JHNCb . 1 1 84 84 ASN HN H 1 1 . 1 1 84 84 ASN CB C 13 1 1.13 . . 0.35 . . . . . . . . . . . 16469 3 66 3JHNCb . 1 1 85 85 GLN HN H 1 1 . 1 1 85 85 GLN CB C 13 1 1.23 . . 0.35 . . . . . . . . . . . 16469 3 67 3JHNCb . 1 1 86 86 LEU HN H 1 1 . 1 1 86 86 LEU CB C 13 1 2.63 . . 0.35 . . . . . . . . . . . 16469 3 68 3JHNCb . 1 1 87 87 ALA HN H 1 1 . 1 1 87 87 ALA CB C 13 1 1.93 . . 0.35 . . . . . . . . . . . 16469 3 69 3JHNCb . 1 1 89 89 VAL HN H 1 1 . 1 1 89 89 VAL CB C 13 1 0.39 . . 0.35 . . . . . . . . . . . 16469 3 70 3JHNCb . 1 1 90 90 ILE HN H 1 1 . 1 1 90 90 ILE CB C 13 1 0.37 . . 0.35 . . . . . . . . . . . 16469 3 71 3JHNCb . 1 1 91 91 THR HN H 1 1 . 1 1 91 91 THR CB C 13 1 0.40 . . 0.35 . . . . . . . . . . . 16469 3 72 3JHNCb . 1 1 92 92 HIS HN H 1 1 . 1 1 92 92 HIS CB C 13 1 2.27 . . 0.35 . . . . . . . . . . . 16469 3 73 3JHNCb . 1 1 93 93 THR HN H 1 1 . 1 1 93 93 THR CB C 13 1 2.43 . . 0.35 . . . . . . . . . . . 16469 3 74 3JHNCb . 1 1 95 95 ALA HN H 1 1 . 1 1 95 95 ALA CB C 13 1 1.75 . . 0.35 . . . . . . . . . . . 16469 3 75 3JHNCb . 1 1 96 96 SER HN H 1 1 . 1 1 96 96 SER CB C 13 1 1.60 . . 0.35 . . . . . . . . . . . 16469 3 76 3JHNCb . 1 1 99 99 ASN HN H 1 1 . 1 1 99 99 ASN CB C 13 1 1.78 . . 0.35 . . . . . . . . . . . 16469 3 77 3JHNCb . 1 1 100 100 PHE HN H 1 1 . 1 1 100 100 PHE CB C 13 1 1.08 . . 0.35 . . . . . . . . . . . 16469 3 78 3JHNCb . 1 1 101 101 VAL HN H 1 1 . 1 1 101 101 VAL CB C 13 1 0.11 . . 0.35 . . . . . . . . . . . 16469 3 79 3JHNCb . 1 1 102 102 GLU HN H 1 1 . 1 1 102 102 GLU CB C 13 1 2.35 . . 0.35 . . . . . . . . . . . 16469 3 80 3JHNCb . 1 1 103 103 CYS HN H 1 1 . 1 1 103 103 CYS CB C 13 1 1.93 . . 0.35 . . . . . . . . . . . 16469 3 81 3JHNCb . 1 1 104 104 THR HN H 1 1 . 1 1 104 104 THR CB C 13 1 1.19 . . 0.35 . . . . . . . . . . . 16469 3 stop_ save_ ######################## # Coupling constants # ######################## save_3JCOHA _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JCOHA _Coupling_constant_list.Entry_ID 16469 _Coupling_constant_list.ID 4 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details 'Lohr et al., 1997' _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 7 3D-H(N)CA,CO[HA]-E.COSY . . . 16469 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 3JCOHa . 1 1 2 2 CYS C C 13 1 . 1 1 3 3 ASP HA H 1 1 1.71 . . 0.35 . . . . . . . . . . . 16469 4 2 3JCOHa . 1 1 3 3 ASP C C 13 1 . 1 1 4 4 TYR HA H 1 1 3.04 . . 0.35 . . . . . . . . . . . 16469 4 3 3JCOHa . 1 1 4 4 TYR C C 13 1 . 1 1 5 5 THR HA H 1 1 3.17 . . 0.35 . . . . . . . . . . . 16469 4 4 3JCOHa . 1 1 5 5 THR C C 13 1 . 1 1 6 6 CYS HA H 1 1 3.20 . . 0.35 . . . . . . . . . . . 16469 4 5 3JCOHa . 1 1 7 7 GLY C C 13 1 . 1 1 8 8 SER HA H 1 1 3.11 . . 0.35 . . . . . . . . . . . 16469 4 6 3JCOHa . 1 1 8 8 SER C C 13 1 . 1 1 9 9 ASN HA H 1 1 2.06 . . 0.35 . . . . . . . . . . . 16469 4 7 3JCOHa . 1 1 9 9 ASN C C 13 1 . 1 1 10 10 CYS HA H 1 1 2.50 . . 0.35 . . . . . . . . . . . 16469 4 8 3JCOHa . 1 1 10 10 CYS C C 13 1 . 1 1 11 11 TYR HA H 1 1 3.02 . . 0.35 . . . . . . . . . . . 16469 4 9 3JCOHa . 1 1 11 11 TYR C C 13 1 . 1 1 12 12 SER HA H 1 1 0.96 . . 0.35 . . . . . . . . . . . 16469 4 10 3JCOHa . 1 1 13 13 SER C C 13 1 . 1 1 14 14 SER HA H 1 1 1.88 . . 0.35 . . . . . . . . . . . 16469 4 11 3JCOHa . 1 1 14 14 SER C C 13 1 . 1 1 15 15 ASP HA H 1 1 1.29 . . 0.35 . . . . . . . . . . . 16469 4 12 3JCOHa . 1 1 15 15 ASP C C 13 1 . 1 1 16 16 VAL HA H 1 1 1.31 . . 0.35 . . . . . . . . . . . 16469 4 13 3JCOHa . 1 1 16 16 VAL C C 13 1 . 1 1 17 17 SER HA H 1 1 1.34 . . 0.35 . . . . . . . . . . . 16469 4 14 3JCOHa . 1 1 17 17 SER C C 13 1 . 1 1 18 18 THR HA H 1 1 1.27 . . 0.35 . . . . . . . . . . . 16469 4 15 3JCOHa . 1 1 18 18 THR C C 13 1 . 1 1 19 19 ALA HA H 1 1 1.26 . . 0.35 . . . . . . . . . . . 16469 4 16 3JCOHa . 1 1 19 19 ALA C C 13 1 . 1 1 20 20 GLN HA H 1 1 1.08 . . 0.35 . . . . . . . . . . . 16469 4 17 3JCOHa . 1 1 20 20 GLN C C 13 1 . 1 1 21 21 ALA HA H 1 1 1.19 . . 0.35 . . . . . . . . . . . 16469 4 18 3JCOHa . 1 1 21 21 ALA C C 13 1 . 1 1 22 22 ALA HA H 1 1 0.79 . . 0.35 . . . . . . . . . . . 16469 4 19 3JCOHa . 1 1 23 23 GLY C C 13 1 . 1 1 24 24 TYR HA H 1 1 1.37 . . 0.35 . . . . . . . . . . . 16469 4 20 3JCOHa . 1 1 24 24 TYR C C 13 1 . 1 1 25 25 LYS HA H 1 1 1.17 . . 0.35 . . . . . . . . . . . 16469 4 21 3JCOHa . 1 1 25 25 LYS C C 13 1 . 1 1 26 26 LEU HA H 1 1 -0.59 . . 0.35 . . . . . . . . . . . 16469 4 22 3JCOHa . 1 1 26 26 LEU C C 13 1 . 1 1 27 27 HIS HA H 1 1 -0.58 . . 0.35 . . . . . . . . . . . 16469 4 23 3JCOHa . 1 1 27 27 HIS C C 13 1 . 1 1 28 28 GLU HA H 1 1 -0.07 . . 0.35 . . . . . . . . . . . 16469 4 24 3JCOHa . 1 1 28 28 GLU C C 13 1 . 1 1 29 29 ASP HA H 1 1 2.19 . . 0.35 . . . . . . . . . . . 16469 4 25 3JCOHa . 1 1 30 30 GLY C C 13 1 . 1 1 31 31 GLU HA H 1 1 2.71 . . 0.35 . . . . . . . . . . . 16469 4 26 3JCOHa . 1 1 31 31 GLU C C 13 1 . 1 1 32 32 THR HA H 1 1 3.00 . . 0.35 . . . . . . . . . . . 16469 4 27 3JCOHa . 1 1 32 32 THR C C 13 1 . 1 1 33 33 VAL HA H 1 1 3.29 . . 0.35 . . . . . . . . . . . 16469 4 28 3JCOHa . 1 1 36 36 ASN C C 13 1 . 1 1 37 37 SER HA H 1 1 6.24 . . 0.35 . . . . . . . . . . . 16469 4 29 3JCOHa . 1 1 37 37 SER C C 13 1 . 1 1 38 38 TYR HA H 1 1 2.21 . . 0.35 . . . . . . . . . . . 16469 4 30 3JCOHa . 1 1 39 39 PRO C C 13 1 . 1 1 40 40 HIS HA H 1 1 2.91 . . 0.35 . . . . . . . . . . . 16469 4 31 3JCOHa . 1 1 40 40 HIS C C 13 1 . 1 1 41 41 LYS HA H 1 1 0.58 . . 0.35 . . . . . . . . . . . 16469 4 32 3JCOHa . 1 1 41 41 LYS C C 13 1 . 1 1 42 42 TYR HA H 1 1 2.98 . . 0.35 . . . . . . . . . . . 16469 4 33 3JCOHa . 1 1 42 42 TYR C C 13 1 . 1 1 43 43 ASN HA H 1 1 2.81 . . 0.35 . . . . . . . . . . . 16469 4 34 3JCOHa . 1 1 43 43 ASN C C 13 1 . 1 1 44 44 ASN HA H 1 1 6.67 . . 0.35 . . . . . . . . . . . 16469 4 35 3JCOHa . 1 1 44 44 ASN C C 13 1 . 1 1 45 45 TYR HA H 1 1 1.66 . . 0.35 . . . . . . . . . . . 16469 4 36 3JCOHa . 1 1 45 45 TYR C C 13 1 . 1 1 46 46 GLU HA H 1 1 -0.34 . . 0.35 . . . . . . . . . . . 16469 4 37 3JCOHa . 1 1 47 47 GLY C C 13 1 . 1 1 48 48 PHE HA H 1 1 1.31 . . 0.35 . . . . . . . . . . . 16469 4 38 3JCOHa . 1 1 48 48 PHE C C 13 1 . 1 1 49 49 ASP HA H 1 1 3.09 . . 0.35 . . . . . . . . . . . 16469 4 39 3JCOHa . 1 1 49 49 ASP C C 13 1 . 1 1 50 50 PHE HA H 1 1 1.78 . . 0.35 . . . . . . . . . . . 16469 4 40 3JCOHa . 1 1 50 50 PHE C C 13 1 . 1 1 51 51 SER HA H 1 1 3.48 . . 0.35 . . . . . . . . . . . 16469 4 41 3JCOHa . 1 1 51 51 SER C C 13 1 . 1 1 52 52 VAL HA H 1 1 2.56 . . 0.35 . . . . . . . . . . . 16469 4 42 3JCOHa . 1 1 52 52 VAL C C 13 1 . 1 1 53 53 SER HA H 1 1 2.41 . . 0.35 . . . . . . . . . . . 16469 4 43 3JCOHa . 1 1 53 53 SER C C 13 1 . 1 1 54 54 SER HA H 1 1 1.68 . . 0.35 . . . . . . . . . . . 16469 4 44 3JCOHa . 1 1 55 55 PRO C C 13 1 . 1 1 56 56 TYR HA H 1 1 2.90 . . 0.35 . . . . . . . . . . . 16469 4 45 3JCOHa . 1 1 56 56 TYR C C 13 1 . 1 1 57 57 TYR HA H 1 1 2.98 . . 0.35 . . . . . . . . . . . 16469 4 46 3JCOHa . 1 1 57 57 TYR C C 13 1 . 1 1 58 58 GLU HA H 1 1 2.79 . . 0.35 . . . . . . . . . . . 16469 4 47 3JCOHa . 1 1 58 58 GLU C C 13 1 . 1 1 59 59 TRP HA H 1 1 2.58 . . 0.35 . . . . . . . . . . . 16469 4 48 3JCOHa . 1 1 60 60 PRO C C 13 1 . 1 1 61 61 ILE HA H 1 1 3.00 . . 0.35 . . . . . . . . . . . 16469 4 49 3JCOHa . 1 1 61 61 ILE C C 13 1 . 1 1 62 62 LEU HA H 1 1 3.30 . . 0.35 . . . . . . . . . . . 16469 4 50 3JCOHa . 1 1 62 62 LEU C C 13 1 . 1 1 63 63 SER HA H 1 1 2.19 . . 0.35 . . . . . . . . . . . 16469 4 51 3JCOHa . 1 1 63 63 SER C C 13 1 . 1 1 64 64 SER HA H 1 1 2.00 . . 0.35 . . . . . . . . . . . 16469 4 52 3JCOHa . 1 1 65 65 GLY C C 13 1 . 1 1 66 66 ASP HA H 1 1 1.59 . . 0.35 . . . . . . . . . . . 16469 4 53 3JCOHa . 1 1 66 66 ASP C C 13 1 . 1 1 67 67 VAL HA H 1 1 2.24 . . 0.35 . . . . . . . . . . . 16469 4 54 3JCOHa . 1 1 67 67 VAL C C 13 1 . 1 1 68 68 TYR HA H 1 1 1.61 . . 0.35 . . . . . . . . . . . 16469 4 55 3JCOHa . 1 1 68 68 TYR C C 13 1 . 1 1 69 69 SER HA H 1 1 2.93 . . 0.35 . . . . . . . . . . . 16469 4 56 3JCOHa . 1 1 74 74 GLY C C 13 1 . 1 1 75 75 ALA HA H 1 1 2.91 . . 0.35 . . . . . . . . . . . 16469 4 57 3JCOHa . 1 1 75 75 ALA C C 13 1 . 1 1 76 76 ASP HA H 1 1 3.04 . . 0.35 . . . . . . . . . . . 16469 4 58 3JCOHa . 1 1 76 76 ASP C C 13 1 . 1 1 77 77 ARG HA H 1 1 2.71 . . 0.35 . . . . . . . . . . . 16469 4 59 3JCOHa . 1 1 77 77 ARG C C 13 1 . 1 1 78 78 VAL HA H 1 1 3.05 . . 0.35 . . . . . . . . . . . 16469 4 60 3JCOHa . 1 1 78 78 VAL C C 13 1 . 1 1 79 79 VAL HA H 1 1 3.02 . . 0.35 . . . . . . . . . . . 16469 4 61 3JCOHa . 1 1 79 79 VAL C C 13 1 . 1 1 80 80 PHE HA H 1 1 2.90 . . 0.35 . . . . . . . . . . . 16469 4 62 3JCOHa . 1 1 80 80 PHE C C 13 1 . 1 1 81 81 ASN HA H 1 1 3.99 . . 0.35 . . . . . . . . . . . 16469 4 63 3JCOHa . 1 1 81 81 ASN C C 13 1 . 1 1 82 82 GLU HA H 1 1 1.13 . . 0.35 . . . . . . . . . . . 16469 4 64 3JCOHa . 1 1 82 82 GLU C C 13 1 . 1 1 83 83 ASN HA H 1 1 2.58 . . 0.35 . . . . . . . . . . . 16469 4 65 3JCOHa . 1 1 83 83 ASN C C 13 1 . 1 1 84 84 ASN HA H 1 1 7.07 . . 0.35 . . . . . . . . . . . 16469 4 66 3JCOHa . 1 1 84 84 ASN C C 13 1 . 1 1 85 85 GLN HA H 1 1 2.11 . . 0.35 . . . . . . . . . . . 16469 4 67 3JCOHa . 1 1 85 85 GLN C C 13 1 . 1 1 86 86 LEU HA H 1 1 1.45 . . 0.35 . . . . . . . . . . . 16469 4 68 3JCOHa . 1 1 86 86 LEU C C 13 1 . 1 1 87 87 ALA HA H 1 1 2.93 . . 0.35 . . . . . . . . . . . 16469 4 69 3JCOHa . 1 1 88 88 GLY C C 13 1 . 1 1 89 89 VAL HA H 1 1 2.71 . . 0.35 . . . . . . . . . . . 16469 4 70 3JCOHa . 1 1 89 89 VAL C C 13 1 . 1 1 90 90 ILE HA H 1 1 3.17 . . 0.35 . . . . . . . . . . . 16469 4 71 3JCOHa . 1 1 90 90 ILE C C 13 1 . 1 1 91 91 THR HA H 1 1 0.56 . . 0.35 . . . . . . . . . . . 16469 4 72 3JCOHa . 1 1 91 91 THR C C 13 1 . 1 1 92 92 HIS HA H 1 1 2.27 . . 0.35 . . . . . . . . . . . 16469 4 73 3JCOHa . 1 1 92 92 HIS C C 13 1 . 1 1 93 93 THR HA H 1 1 1.42 . . 0.35 . . . . . . . . . . . 16469 4 74 3JCOHa . 1 1 94 94 GLY C C 13 1 . 1 1 95 95 ALA HA H 1 1 2.33 . . 0.35 . . . . . . . . . . . 16469 4 75 3JCOHa . 1 1 95 95 ALA C C 13 1 . 1 1 96 96 SER HA H 1 1 2.69 . . 0.35 . . . . . . . . . . . 16469 4 76 3JCOHa . 1 1 97 97 GLY C C 13 1 . 1 1 98 98 ASN HA H 1 1 2.65 . . 0.35 . . . . . . . . . . . 16469 4 77 3JCOHa . 1 1 98 98 ASN C C 13 1 . 1 1 99 99 ASN HA H 1 1 2.43 . . 0.35 . . . . . . . . . . . 16469 4 78 3JCOHa . 1 1 99 99 ASN C C 13 1 . 1 1 100 100 PHE HA H 1 1 2.96 . . 0.35 . . . . . . . . . . . 16469 4 79 3JCOHa . 1 1 100 100 PHE C C 13 1 . 1 1 101 101 VAL HA H 1 1 3.11 . . 0.35 . . . . . . . . . . . 16469 4 80 3JCOHa . 1 1 101 101 VAL C C 13 1 . 1 1 102 102 GLU HA H 1 1 1.87 . . 0.35 . . . . . . . . . . . 16469 4 81 3JCOHa . 1 1 102 102 GLU C C 13 1 . 1 1 103 103 CYS HA H 1 1 1.27 . . 0.35 . . . . . . . . . . . 16469 4 82 3JCOHa . 1 1 103 103 CYS C C 13 1 . 1 1 104 104 THR HA H 1 1 3.08 . . 0.35 . . . . . . . . . . . 16469 4 stop_ save_ ######################## # Coupling constants # ######################## save_3JCOCO _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JCOCO _Coupling_constant_list.Entry_ID 16469 _Coupling_constant_list.ID 5 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details ; Lohr et al., 1997 Hu and Bax, 1996 ; _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 8 3D-H(N)CA,CO[CO]-E.COSY . . . 16469 5 9 '3D-[15N,1H]-TROSY-HN(CO)CO quantitative J correlation' . . . 16469 5 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 3JCOCO . 1 1 1 1 ALA C C 13 1 . 1 1 2 2 CYS C C 13 1 1.31 . . 0.35 . . . . . . . . . . . 16469 5 2 3JCOCO . 1 1 2 2 CYS C C 13 1 . 1 1 3 3 ASP C C 13 1 0.57 . . 0.35 . . . . . . . . . . . 16469 5 3 3JCOCO . 1 1 3 3 ASP C C 13 1 . 1 1 4 4 TYR C C 13 1 1.87 . . 0.35 . . . . . . . . . . . 16469 5 4 3JCOCO . 1 1 4 4 TYR C C 13 1 . 1 1 5 5 THR C C 13 1 1.30 . . 0.35 . . . . . . . . . . . 16469 5 5 3JCOCO . 1 1 5 5 THR C C 13 1 . 1 1 6 6 CYS C C 13 1 1.18 . . 0.35 . . . . . . . . . . . 16469 5 6 3JCOCO . 1 1 6 6 CYS C C 13 1 . 1 1 7 7 GLY C C 13 1 0.69 . . 0.35 . . . . . . . . . . . 16469 5 7 3JCOCO . 1 1 7 7 GLY C C 13 1 . 1 1 8 8 SER C C 13 1 0.93 . . 0.35 . . . . . . . . . . . 16469 5 8 3JCOCO . 1 1 8 8 SER C C 13 1 . 1 1 9 9 ASN C C 13 1 0.50 . . 0.35 . . . . . . . . . . . 16469 5 9 3JCOCO . 1 1 9 9 ASN C C 13 1 . 1 1 10 10 CYS C C 13 1 1.10 . . 0.35 . . . . . . . . . . . 16469 5 10 3JCOCO . 1 1 10 10 CYS C C 13 1 . 1 1 11 11 TYR C C 13 1 1.45 . . 0.35 . . . . . . . . . . . 16469 5 11 3JCOCO . 1 1 11 11 TYR C C 13 1 . 1 1 12 12 SER C C 13 1 0.47 . . 0.35 . . . . . . . . . . . 16469 5 12 3JCOCO . 1 1 12 12 SER C C 13 1 . 1 1 13 13 SER C C 13 1 0.29 . . 0.35 . . . . . . . . . . . 16469 5 13 3JCOCO . 1 1 13 13 SER C C 13 1 . 1 1 14 14 SER C C 13 1 0.86 . . 0.35 . . . . . . . . . . . 16469 5 14 3JCOCO . 1 1 14 14 SER C C 13 1 . 1 1 15 15 ASP C C 13 1 0.64 . . 0.35 . . . . . . . . . . . 16469 5 15 3JCOCO . 1 1 15 15 ASP C C 13 1 . 1 1 16 16 VAL C C 13 1 0.68 . . 0.35 . . . . . . . . . . . 16469 5 16 3JCOCO . 1 1 16 16 VAL C C 13 1 . 1 1 17 17 SER C C 13 1 0.45 . . 0.35 . . . . . . . . . . . 16469 5 17 3JCOCO . 1 1 17 17 SER C C 13 1 . 1 1 18 18 THR C C 13 1 0.54 . . 0.35 . . . . . . . . . . . 16469 5 18 3JCOCO . 1 1 18 18 THR C C 13 1 . 1 1 19 19 ALA C C 13 1 0.64 . . 0.35 . . . . . . . . . . . 16469 5 19 3JCOCO . 1 1 19 19 ALA C C 13 1 . 1 1 20 20 GLN C C 13 1 0.76 . . 0.35 . . . . . . . . . . . 16469 5 20 3JCOCO . 1 1 20 20 GLN C C 13 1 . 1 1 21 21 ALA C C 13 1 0.57 . . 0.35 . . . . . . . . . . . 16469 5 21 3JCOCO . 1 1 21 21 ALA C C 13 1 . 1 1 22 22 ALA C C 13 1 0.73 . . 0.35 . . . . . . . . . . . 16469 5 22 3JCOCO . 1 1 22 22 ALA C C 13 1 . 1 1 23 23 GLY C C 13 1 0.53 . . 0.35 . . . . . . . . . . . 16469 5 23 3JCOCO . 1 1 23 23 GLY C C 13 1 . 1 1 24 24 TYR C C 13 1 0.50 . . 0.35 . . . . . . . . . . . 16469 5 24 3JCOCO . 1 1 24 24 TYR C C 13 1 . 1 1 25 25 LYS C C 13 1 0.55 . . 0.35 . . . . . . . . . . . 16469 5 25 3JCOCO . 1 1 25 25 LYS C C 13 1 . 1 1 26 26 LEU C C 13 1 0.55 . . 0.35 . . . . . . . . . . . 16469 5 26 3JCOCO . 1 1 26 26 LEU C C 13 1 . 1 1 27 27 HIS C C 13 1 0.69 . . 0.35 . . . . . . . . . . . 16469 5 27 3JCOCO . 1 1 27 27 HIS C C 13 1 . 1 1 28 28 GLU C C 13 1 0.34 . . 0.35 . . . . . . . . . . . 16469 5 28 3JCOCO . 1 1 28 28 GLU C C 13 1 . 1 1 29 29 ASP C C 13 1 0.47 . . 0.35 . . . . . . . . . . . 16469 5 29 3JCOCO . 1 1 29 29 ASP C C 13 1 . 1 1 30 30 GLY C C 13 1 0.71 . . 0.35 . . . . . . . . . . . 16469 5 30 3JCOCO . 1 1 30 30 GLY C C 13 1 . 1 1 31 31 GLU C C 13 1 1.38 . . 0.35 . . . . . . . . . . . 16469 5 31 3JCOCO . 1 1 31 31 GLU C C 13 1 . 1 1 32 32 THR C C 13 1 2.10 . . 0.35 . . . . . . . . . . . 16469 5 32 3JCOCO . 1 1 32 32 THR C C 13 1 . 1 1 33 33 VAL C C 13 1 2.22 . . 0.35 . . . . . . . . . . . 16469 5 33 3JCOCO . 1 1 33 33 VAL C C 13 1 . 1 1 34 34 GLY C C 13 1 0.41 . . 0.35 . . . . . . . . . . . 16469 5 34 3JCOCO . 1 1 35 35 SER C C 13 1 . 1 1 36 36 ASN C C 13 1 1.25 . . 0.35 . . . . . . . . . . . 16469 5 35 3JCOCO . 1 1 36 36 ASN C C 13 1 . 1 1 37 37 SER C C 13 1 0.63 . . 0.35 . . . . . . . . . . . 16469 5 36 3JCOCO . 1 1 37 37 SER C C 13 1 . 1 1 38 38 TYR C C 13 1 0.69 . . 0.35 . . . . . . . . . . . 16469 5 37 3JCOCO . 1 1 38 38 TYR C C 13 1 . 1 1 39 39 PRO C C 13 1 1.74 . . 0.35 . . . . . . . . . . . 16469 5 38 3JCOCO . 1 1 39 39 PRO C C 13 1 . 1 1 40 40 HIS C C 13 1 1.71 . . 0.35 . . . . . . . . . . . 16469 5 39 3JCOCO . 1 1 40 40 HIS C C 13 1 . 1 1 41 41 LYS C C 13 1 0.86 . . 0.35 . . . . . . . . . . . 16469 5 40 3JCOCO . 1 1 41 41 LYS C C 13 1 . 1 1 42 42 TYR C C 13 1 1.21 . . 0.35 . . . . . . . . . . . 16469 5 41 3JCOCO . 1 1 42 42 TYR C C 13 1 . 1 1 43 43 ASN C C 13 1 0.44 . . 0.35 . . . . . . . . . . . 16469 5 42 3JCOCO . 1 1 43 43 ASN C C 13 1 . 1 1 44 44 ASN C C 13 1 1.06 . . 0.35 . . . . . . . . . . . 16469 5 43 3JCOCO . 1 1 44 44 ASN C C 13 1 . 1 1 45 45 TYR C C 13 1 0.48 . . 0.35 . . . . . . . . . . . 16469 5 44 3JCOCO . 1 1 45 45 TYR C C 13 1 . 1 1 46 46 GLU C C 13 1 0.44 . . 0.35 . . . . . . . . . . . 16469 5 45 3JCOCO . 1 1 46 46 GLU C C 13 1 . 1 1 47 47 GLY C C 13 1 0.64 . . 0.35 . . . . . . . . . . . 16469 5 46 3JCOCO . 1 1 47 47 GLY C C 13 1 . 1 1 48 48 PHE C C 13 1 0.22 . . 0.35 . . . . . . . . . . . 16469 5 47 3JCOCO . 1 1 48 48 PHE C C 13 1 . 1 1 49 49 ASP C C 13 1 0.91 . . 0.35 . . . . . . . . . . . 16469 5 48 3JCOCO . 1 1 49 49 ASP C C 13 1 . 1 1 50 50 PHE C C 13 1 0.69 . . 0.35 . . . . . . . . . . . 16469 5 49 3JCOCO . 1 1 50 50 PHE C C 13 1 . 1 1 51 51 SER C C 13 1 0.72 . . 0.35 . . . . . . . . . . . 16469 5 50 3JCOCO . 1 1 51 51 SER C C 13 1 . 1 1 52 52 VAL C C 13 1 1.24 . . 0.35 . . . . . . . . . . . 16469 5 51 3JCOCO . 1 1 52 52 VAL C C 13 1 . 1 1 53 53 SER C C 13 1 0.62 . . 0.35 . . . . . . . . . . . 16469 5 52 3JCOCO . 1 1 53 53 SER C C 13 1 . 1 1 54 54 SER C C 13 1 0.50 . . 0.35 . . . . . . . . . . . 16469 5 53 3JCOCO . 1 1 54 54 SER C C 13 1 . 1 1 55 55 PRO C C 13 1 0.56 . . 0.35 . . . . . . . . . . . 16469 5 54 3JCOCO . 1 1 55 55 PRO C C 13 1 . 1 1 56 56 TYR C C 13 1 1.11 . . 0.35 . . . . . . . . . . . 16469 5 55 3JCOCO . 1 1 56 56 TYR C C 13 1 . 1 1 57 57 TYR C C 13 1 1.98 . . 0.35 . . . . . . . . . . . 16469 5 56 3JCOCO . 1 1 57 57 TYR C C 13 1 . 1 1 58 58 GLU C C 13 1 0.94 . . 0.35 . . . . . . . . . . . 16469 5 57 3JCOCO . 1 1 58 58 GLU C C 13 1 . 1 1 59 59 TRP C C 13 1 2.92 . . 0.35 . . . . . . . . . . . 16469 5 58 3JCOCO . 1 1 59 59 TRP C C 13 1 . 1 1 60 60 PRO C C 13 1 1.02 . . 0.35 . . . . . . . . . . . 16469 5 59 3JCOCO . 1 1 60 60 PRO C C 13 1 . 1 1 61 61 ILE C C 13 1 1.34 . . 0.35 . . . . . . . . . . . 16469 5 60 3JCOCO . 1 1 61 61 ILE C C 13 1 . 1 1 62 62 LEU C C 13 1 0.88 . . 0.35 . . . . . . . . . . . 16469 5 61 3JCOCO . 1 1 62 62 LEU C C 13 1 . 1 1 63 63 SER C C 13 1 0.49 . . 0.35 . . . . . . . . . . . 16469 5 62 3JCOCO . 1 1 63 63 SER C C 13 1 . 1 1 64 64 SER C C 13 1 0.52 . . 0.35 . . . . . . . . . . . 16469 5 63 3JCOCO . 1 1 64 64 SER C C 13 1 . 1 1 65 65 GLY C C 13 1 0.56 . . 0.35 . . . . . . . . . . . 16469 5 64 3JCOCO . 1 1 65 65 GLY C C 13 1 . 1 1 66 66 ASP C C 13 1 0.85 . . 0.35 . . . . . . . . . . . 16469 5 65 3JCOCO . 1 1 66 66 ASP C C 13 1 . 1 1 67 67 VAL C C 13 1 0.58 . . 0.35 . . . . . . . . . . . 16469 5 66 3JCOCO . 1 1 67 67 VAL C C 13 1 . 1 1 68 68 TYR C C 13 1 0.51 . . 0.35 . . . . . . . . . . . 16469 5 67 3JCOCO . 1 1 68 68 TYR C C 13 1 . 1 1 69 69 SER C C 13 1 2.69 . . 0.35 . . . . . . . . . . . 16469 5 68 3JCOCO . 1 1 73 73 PRO C C 13 1 . 1 1 74 74 GLY C C 13 1 0.55 . . 0.35 . . . . . . . . . . . 16469 5 69 3JCOCO . 1 1 74 74 GLY C C 13 1 . 1 1 75 75 ALA C C 13 1 0.55 . . 0.35 . . . . . . . . . . . 16469 5 70 3JCOCO . 1 1 75 75 ALA C C 13 1 . 1 1 76 76 ASP C C 13 1 0.86 . . 0.35 . . . . . . . . . . . 16469 5 71 3JCOCO . 1 1 76 76 ASP C C 13 1 . 1 1 77 77 ARG C C 13 1 2.08 . . 0.35 . . . . . . . . . . . 16469 5 72 3JCOCO . 1 1 77 77 ARG C C 13 1 . 1 1 78 78 VAL C C 13 1 0.52 . . 0.35 . . . . . . . . . . . 16469 5 73 3JCOCO . 1 1 78 78 VAL C C 13 1 . 1 1 79 79 VAL C C 13 1 1.24 . . 0.35 . . . . . . . . . . . 16469 5 74 3JCOCO . 1 1 79 79 VAL C C 13 1 . 1 1 80 80 PHE C C 13 1 1.84 . . 0.35 . . . . . . . . . . . 16469 5 75 3JCOCO . 1 1 80 80 PHE C C 13 1 . 1 1 81 81 ASN C C 13 1 1.18 . . 0.35 . . . . . . . . . . . 16469 5 76 3JCOCO . 1 1 81 81 ASN C C 13 1 . 1 1 82 82 GLU C C 13 1 0.65 . . 0.35 . . . . . . . . . . . 16469 5 77 3JCOCO . 1 1 82 82 GLU C C 13 1 . 1 1 83 83 ASN C C 13 1 0.69 . . 0.35 . . . . . . . . . . . 16469 5 78 3JCOCO . 1 1 83 83 ASN C C 13 1 . 1 1 84 84 ASN C C 13 1 0.86 . . 0.35 . . . . . . . . . . . 16469 5 79 3JCOCO . 1 1 84 84 ASN C C 13 1 . 1 1 85 85 GLN C C 13 1 0.81 . . 0.35 . . . . . . . . . . . 16469 5 80 3JCOCO . 1 1 85 85 GLN C C 13 1 . 1 1 86 86 LEU C C 13 1 0.45 . . 0.35 . . . . . . . . . . . 16469 5 81 3JCOCO . 1 1 86 86 LEU C C 13 1 . 1 1 87 87 ALA C C 13 1 0.87 . . 0.35 . . . . . . . . . . . 16469 5 82 3JCOCO . 1 1 87 87 ALA C C 13 1 . 1 1 88 88 GLY C C 13 1 2.91 . . 0.35 . . . . . . . . . . . 16469 5 83 3JCOCO . 1 1 88 88 GLY C C 13 1 . 1 1 89 89 VAL C C 13 1 1.24 . . 0.35 . . . . . . . . . . . 16469 5 84 3JCOCO . 1 1 89 89 VAL C C 13 1 . 1 1 90 90 ILE C C 13 1 2.08 . . 0.35 . . . . . . . . . . . 16469 5 85 3JCOCO . 1 1 90 90 ILE C C 13 1 . 1 1 91 91 THR C C 13 1 2.84 . . 0.35 . . . . . . . . . . . 16469 5 86 3JCOCO . 1 1 91 91 THR C C 13 1 . 1 1 92 92 HIS C C 13 1 0.69 . . 0.35 . . . . . . . . . . . 16469 5 87 3JCOCO . 1 1 92 92 HIS C C 13 1 . 1 1 93 93 THR C C 13 1 0.84 . . 0.35 . . . . . . . . . . . 16469 5 88 3JCOCO . 1 1 93 93 THR C C 13 1 . 1 1 94 94 GLY C C 13 1 0.48 . . 0.35 . . . . . . . . . . . 16469 5 89 3JCOCO . 1 1 94 94 GLY C C 13 1 . 1 1 95 95 ALA C C 13 1 0.85 . . 0.35 . . . . . . . . . . . 16469 5 90 3JCOCO . 1 1 95 95 ALA C C 13 1 . 1 1 96 96 SER C C 13 1 0.88 . . 0.35 . . . . . . . . . . . 16469 5 91 3JCOCO . 1 1 96 96 SER C C 13 1 . 1 1 97 97 GLY C C 13 1 0.72 . . 0.35 . . . . . . . . . . . 16469 5 92 3JCOCO . 1 1 97 97 GLY C C 13 1 . 1 1 98 98 ASN C C 13 1 1.03 . . 0.35 . . . . . . . . . . . 16469 5 93 3JCOCO . 1 1 98 98 ASN C C 13 1 . 1 1 99 99 ASN C C 13 1 0.96 . . 0.35 . . . . . . . . . . . 16469 5 94 3JCOCO . 1 1 99 99 ASN C C 13 1 . 1 1 100 100 PHE C C 13 1 1.39 . . 0.35 . . . . . . . . . . . 16469 5 95 3JCOCO . 1 1 100 100 PHE C C 13 1 . 1 1 101 101 VAL C C 13 1 1.93 . . 0.35 . . . . . . . . . . . 16469 5 96 3JCOCO . 1 1 101 101 VAL C C 13 1 . 1 1 102 102 GLU C C 13 1 0.71 . . 0.35 . . . . . . . . . . . 16469 5 97 3JCOCO . 1 1 102 102 GLU C C 13 1 . 1 1 103 103 CYS C C 13 1 0.54 . . 0.35 . . . . . . . . . . . 16469 5 98 3JCOCO . 1 1 103 103 CYS C C 13 1 . 1 1 104 104 THR C C 13 1 1.14 . . 0.35 . . . . . . . . . . . 16469 5 stop_ save_ ######################## # Coupling constants # ######################## save_3JCOCB _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 3JCOCB _Coupling_constant_list.Entry_ID 16469 _Coupling_constant_list.ID 6 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H . _Coupling_constant_list.Details ; Lohr et al., 1997 Hu and Bax, 1997 Lohr, unpublished (3rd expt) ; _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 10 3D-H(N)CA,CO[CB]-E.COSY . . . 16469 6 11 '3D-HN(CO)CB quantitative J correlation' . . . 16469 6 12 3D-H(N)CO,CA[CA]-E.COSY . . . 16469 6 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 3JCOCb . 1 1 2 2 CYS C C 13 1 . 1 1 3 3 ASP CB C 13 1 2.63 . . 0.35 . . . . . . . . . . . 16469 6 2 3JCOCb . 1 1 4 4 TYR C C 13 1 . 1 1 5 5 THR CB C 13 1 0.98 . . 0.35 . . . . . . . . . . . 16469 6 3 3JCOCb . 1 1 5 5 THR C C 13 1 . 1 1 6 6 CYS CB C 13 1 1.30 . . 0.35 . . . . . . . . . . . 16469 6 4 3JCOCb . 1 1 7 7 GLY C C 13 1 . 1 1 8 8 SER CB C 13 1 1.76 . . 0.35 . . . . . . . . . . . 16469 6 5 3JCOCb . 1 1 8 8 SER C C 13 1 . 1 1 9 9 ASN CB C 13 1 2.14 . . 0.35 . . . . . . . . . . . 16469 6 6 3JCOCb . 1 1 9 9 ASN C C 13 1 . 1 1 10 10 CYS CB C 13 1 1.59 . . 0.35 . . . . . . . . . . . 16469 6 7 3JCOCb . 1 1 10 10 CYS C C 13 1 . 1 1 11 11 TYR CB C 13 1 1.15 . . 0.35 . . . . . . . . . . . 16469 6 8 3JCOCb . 1 1 11 11 TYR C C 13 1 . 1 1 12 12 SER CB C 13 1 2.31 . . 0.35 . . . . . . . . . . . 16469 6 9 3JCOCb . 1 1 12 12 SER C C 13 1 . 1 1 13 13 SER CB C 13 1 2.23 . . 0.35 . . . . . . . . . . . 16469 6 10 3JCOCb . 1 1 13 13 SER C C 13 1 . 1 1 14 14 SER CB C 13 1 2.19 . . 0.35 . . . . . . . . . . . 16469 6 11 3JCOCb . 1 1 14 14 SER C C 13 1 . 1 1 15 15 ASP CB C 13 1 2.72 . . 0.35 . . . . . . . . . . . 16469 6 12 3JCOCb . 1 1 15 15 ASP C C 13 1 . 1 1 16 16 VAL CB C 13 1 2.51 . . 0.35 . . . . . . . . . . . 16469 6 13 3JCOCb . 1 1 16 16 VAL C C 13 1 . 1 1 17 17 SER CB C 13 1 2.55 . . 0.35 . . . . . . . . . . . 16469 6 14 3JCOCb . 1 1 17 17 SER C C 13 1 . 1 1 18 18 THR CB C 13 1 2.45 . . 0.35 . . . . . . . . . . . 16469 6 15 3JCOCb . 1 1 18 18 THR C C 13 1 . 1 1 19 19 ALA CB C 13 1 2.88 . . 0.35 . . . . . . . . . . . 16469 6 16 3JCOCb . 1 1 19 19 ALA C C 13 1 . 1 1 20 20 GLN CB C 13 1 2.96 . . 0.35 . . . . . . . . . . . 16469 6 17 3JCOCb . 1 1 20 20 GLN C C 13 1 . 1 1 21 21 ALA CB C 13 1 2.91 . . 0.35 . . . . . . . . . . . 16469 6 18 3JCOCb . 1 1 21 21 ALA C C 13 1 . 1 1 22 22 ALA CB C 13 1 2.84 . . 0.35 . . . . . . . . . . . 16469 6 19 3JCOCb . 1 1 23 23 GLY C C 13 1 . 1 1 24 24 TYR CB C 13 1 2.65 . . 0.35 . . . . . . . . . . . 16469 6 20 3JCOCb . 1 1 24 24 TYR C C 13 1 . 1 1 25 25 LYS CB C 13 1 2.62 . . 0.35 . . . . . . . . . . . 16469 6 21 3JCOCb . 1 1 25 25 LYS C C 13 1 . 1 1 26 26 LEU CB C 13 1 2.39 . . 0.35 . . . . . . . . . . . 16469 6 22 3JCOCb . 1 1 26 26 LEU C C 13 1 . 1 1 27 27 HIS CB C 13 1 2.75 . . 0.35 . . . . . . . . . . . 16469 6 23 3JCOCb . 1 1 27 27 HIS C C 13 1 . 1 1 28 28 GLU CB C 13 1 2.29 . . 0.35 . . . . . . . . . . . 16469 6 24 3JCOCb . 1 1 28 28 GLU C C 13 1 . 1 1 29 29 ASP CB C 13 1 2.23 . . 0.35 . . . . . . . . . . . 16469 6 25 3JCOCb . 1 1 30 30 GLY C C 13 1 . 1 1 31 31 GLU CB C 13 1 1.17 . . 0.35 . . . . . . . . . . . 16469 6 26 3JCOCb . 1 1 31 31 GLU C C 13 1 . 1 1 32 32 THR CB C 13 1 0.63 . . 0.35 . . . . . . . . . . . 16469 6 27 3JCOCb . 1 1 32 32 THR C C 13 1 . 1 1 33 33 VAL CB C 13 1 0.59 . . 0.35 . . . . . . . . . . . 16469 6 28 3JCOCb . 1 1 36 36 ASN C C 13 1 . 1 1 37 37 SER CB C 13 1 0.56 . . 0.35 . . . . . . . . . . . 16469 6 29 3JCOCb . 1 1 37 37 SER C C 13 1 . 1 1 38 38 TYR CB C 13 1 1.80 . . 0.35 . . . . . . . . . . . 16469 6 30 3JCOCb . 1 1 39 39 PRO C C 13 1 . 1 1 40 40 HIS CB C 13 1 0.96 . . 0.35 . . . . . . . . . . . 16469 6 31 3JCOCb . 1 1 40 40 HIS C C 13 1 . 1 1 41 41 LYS CB C 13 1 3.46 . . 0.35 . . . . . . . . . . . 16469 6 32 3JCOCb . 1 1 41 41 LYS C C 13 1 . 1 1 42 42 TYR CB C 13 1 1.28 . . 0.35 . . . . . . . . . . . 16469 6 33 3JCOCb . 1 1 42 42 TYR C C 13 1 . 1 1 43 43 ASN CB C 13 1 2.21 . . 0.35 . . . . . . . . . . . 16469 6 34 3JCOCb . 1 1 43 43 ASN C C 13 1 . 1 1 44 44 ASN CB C 13 1 0.30 . . 0.35 . . . . . . . . . . . 16469 6 35 3JCOCb . 1 1 44 44 ASN C C 13 1 . 1 1 45 45 TYR CB C 13 1 2.42 . . 0.35 . . . . . . . . . . . 16469 6 36 3JCOCb . 1 1 45 45 TYR C C 13 1 . 1 1 46 46 GLU CB C 13 1 2.14 . . 0.35 . . . . . . . . . . . 16469 6 37 3JCOCb . 1 1 47 47 GLY C C 13 1 . 1 1 48 48 PHE CB C 13 1 2.65 . . 0.35 . . . . . . . . . . . 16469 6 38 3JCOCb . 1 1 48 48 PHE C C 13 1 . 1 1 49 49 ASP CB C 13 1 2.00 . . 0.35 . . . . . . . . . . . 16469 6 39 3JCOCb . 1 1 49 49 ASP C C 13 1 . 1 1 50 50 PHE CB C 13 1 2.40 . . 0.35 . . . . . . . . . . . 16469 6 40 3JCOCb . 1 1 50 50 PHE C C 13 1 . 1 1 51 51 SER CB C 13 1 1.67 . . 0.35 . . . . . . . . . . . 16469 6 41 3JCOCb . 1 1 51 51 SER C C 13 1 . 1 1 52 52 VAL CB C 13 1 1.15 . . 0.35 . . . . . . . . . . . 16469 6 42 3JCOCb . 1 1 52 52 VAL C C 13 1 . 1 1 53 53 SER CB C 13 1 2.59 . . 0.35 . . . . . . . . . . . 16469 6 43 3JCOCb . 1 1 53 53 SER C C 13 1 . 1 1 54 54 SER CB C 13 1 2.68 . . 0.35 . . . . . . . . . . . 16469 6 44 3JCOCb . 1 1 55 55 PRO C C 13 1 . 1 1 56 56 TYR CB C 13 1 1.33 . . 0.35 . . . . . . . . . . . 16469 6 45 3JCOCb . 1 1 56 56 TYR C C 13 1 . 1 1 57 57 TYR CB C 13 1 0.84 . . 0.35 . . . . . . . . . . . 16469 6 46 3JCOCb . 1 1 57 57 TYR C C 13 1 . 1 1 58 58 GLU CB C 13 1 1.70 . . 0.35 . . . . . . . . . . . 16469 6 47 3JCOCb . 1 1 58 58 GLU C C 13 1 . 1 1 59 59 TRP CB C 13 1 0.53 . . 0.35 . . . . . . . . . . . 16469 6 48 3JCOCb . 1 1 60 60 PRO C C 13 1 . 1 1 61 61 ILE CB C 13 1 0.91 . . 0.35 . . . . . . . . . . . 16469 6 49 3JCOCb . 1 1 61 61 ILE C C 13 1 . 1 1 62 62 LEU CB C 13 1 1.53 . . 0.35 . . . . . . . . . . . 16469 6 50 3JCOCb . 1 1 62 62 LEU C C 13 1 . 1 1 63 63 SER CB C 13 1 2.27 . . 0.35 . . . . . . . . . . . 16469 6 51 3JCOCb . 1 1 63 63 SER C C 13 1 . 1 1 64 64 SER CB C 13 1 2.15 . . 0.35 . . . . . . . . . . . 16469 6 52 3JCOCb . 1 1 65 65 GLY C C 13 1 . 1 1 66 66 ASP CB C 13 1 2.35 . . 0.35 . . . . . . . . . . . 16469 6 53 3JCOCb . 1 1 66 66 ASP C C 13 1 . 1 1 67 67 VAL CB C 13 1 2.26 . . 0.35 . . . . . . . . . . . 16469 6 54 3JCOCb . 1 1 67 67 VAL C C 13 1 . 1 1 68 68 TYR CB C 13 1 3.00 . . 0.35 . . . . . . . . . . . 16469 6 55 3JCOCb . 1 1 68 68 TYR C C 13 1 . 1 1 69 69 SER CB C 13 1 0.41 . . 0.35 . . . . . . . . . . . 16469 6 56 3JCOCb . 1 1 74 74 GLY C C 13 1 . 1 1 75 75 ALA CB C 13 1 2.16 . . 0.35 . . . . . . . . . . . 16469 6 57 3JCOCb . 1 1 75 75 ALA C C 13 1 . 1 1 76 76 ASP CB C 13 1 1.56 . . 0.35 . . . . . . . . . . . 16469 6 58 3JCOCb . 1 1 76 76 ASP C C 13 1 . 1 1 77 77 ARG CB C 13 1 0.56 . . 0.35 . . . . . . . . . . . 16469 6 59 3JCOCb . 1 1 77 77 ARG C C 13 1 . 1 1 78 78 VAL CB C 13 1 2.10 . . 0.35 . . . . . . . . . . . 16469 6 60 3JCOCb . 1 1 78 78 VAL C C 13 1 . 1 1 79 79 VAL CB C 13 1 1.02 . . 0.35 . . . . . . . . . . . 16469 6 61 3JCOCb . 1 1 79 79 VAL C C 13 1 . 1 1 80 80 PHE CB C 13 1 0.77 . . 0.35 . . . . . . . . . . . 16469 6 62 3JCOCb . 1 1 80 80 PHE C C 13 1 . 1 1 81 81 ASN CB C 13 1 0.91 . . 0.35 . . . . . . . . . . . 16469 6 63 3JCOCb . 1 1 81 81 ASN C C 13 1 . 1 1 82 82 GLU CB C 13 1 2.52 . . 0.35 . . . . . . . . . . . 16469 6 64 3JCOCb . 1 1 82 82 GLU C C 13 1 . 1 1 83 83 ASN CB C 13 1 1.75 . . 0.35 . . . . . . . . . . . 16469 6 65 3JCOCb . 1 1 83 83 ASN C C 13 1 . 1 1 84 84 ASN CB C 13 1 0.55 . . 0.35 . . . . . . . . . . . 16469 6 66 3JCOCb . 1 1 84 84 ASN C C 13 1 . 1 1 85 85 GLN CB C 13 1 1.62 . . 0.35 . . . . . . . . . . . 16469 6 67 3JCOCb . 1 1 85 85 GLN C C 13 1 . 1 1 86 86 LEU CB C 13 1 2.44 . . 0.35 . . . . . . . . . . . 16469 6 68 3JCOCb . 1 1 86 86 LEU C C 13 1 . 1 1 87 87 ALA CB C 13 1 1.95 . . 0.35 . . . . . . . . . . . 16469 6 69 3JCOCb . 1 1 88 88 GLY C C 13 1 . 1 1 89 89 VAL CB C 13 1 0.93 . . 0.35 . . . . . . . . . . . 16469 6 70 3JCOCb . 1 1 89 89 VAL C C 13 1 . 1 1 90 90 ILE CB C 13 1 0.66 . . 0.35 . . . . . . . . . . . 16469 6 71 3JCOCb . 1 1 90 90 ILE C C 13 1 . 1 1 91 91 THR CB C 13 1 0.65 . . 0.35 . . . . . . . . . . . 16469 6 72 3JCOCb . 1 1 91 91 THR C C 13 1 . 1 1 92 92 HIS CB C 13 1 2.62 . . 0.35 . . . . . . . . . . . 16469 6 73 3JCOCb . 1 1 92 92 HIS C C 13 1 . 1 1 93 93 THR CB C 13 1 2.48 . . 0.35 . . . . . . . . . . . 16469 6 74 3JCOCb . 1 1 94 94 GLY C C 13 1 . 1 1 95 95 ALA CB C 13 1 1.89 . . 0.35 . . . . . . . . . . . 16469 6 75 3JCOCb . 1 1 95 95 ALA C C 13 1 . 1 1 96 96 SER CB C 13 1 1.86 . . 0.35 . . . . . . . . . . . 16469 6 76 3JCOCb . 1 1 97 97 GLY C C 13 1 . 1 1 98 98 ASN CB C 13 1 2.20 . . 0.35 . . . . . . . . . . . 16469 6 77 3JCOCb . 1 1 98 98 ASN C C 13 1 . 1 1 99 99 ASN CB C 13 1 2.05 . . 0.35 . . . . . . . . . . . 16469 6 78 3JCOCb . 1 1 99 99 ASN C C 13 1 . 1 1 100 100 PHE CB C 13 1 0.95 . . 0.35 . . . . . . . . . . . 16469 6 79 3JCOCb . 1 1 100 100 PHE C C 13 1 . 1 1 101 101 VAL CB C 13 1 0.83 . . 0.35 . . . . . . . . . . . 16469 6 80 3JCOCb . 1 1 101 101 VAL C C 13 1 . 1 1 102 102 GLU CB C 13 1 2.52 . . 0.35 . . . . . . . . . . . 16469 6 81 3JCOCb . 1 1 102 102 GLU C C 13 1 . 1 1 103 103 CYS CB C 13 1 2.22 . . 0.35 . . . . . . . . . . . 16469 6 82 3JCOCb . 1 1 103 103 CYS C C 13 1 . 1 1 104 104 THR CB C 13 1 1.38 . . 0.35 . . . . . . . . . . . 16469 6 stop_ save_