################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 16635 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600.153 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 13 '2D 1H-15N IPAP' . . . 16635 1 14 '2D HN[C]-S3E' . . . 16635 1 15 '2D (H)CACO-IPAP' . . . 16635 1 16 '2D 13C-coupled 1H-13C HSQC' . . . 16635 1 23 '2D 1H-15N IPAP' . . . 16635 1 24 '2D HN[C]-S3E' . . . 16635 1 25 '2D (H)CACO-IPAP' . . . 16635 1 26 '2D 13C-coupled 1H-13C HSQC' . . . 16635 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 3 $SPARKY . . 16635 1 7 $S3EPY . . 16635 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 6 6 SER N N 15 . . 1 1 6 6 SER H H 1 . -21.105 . . 1.2 . . . . 7 SER N . 7 SER H 16635 1 2 DNH . 1 1 7 7 GLN N N 15 . . 1 1 7 7 GLN H H 1 . -4.379 . . 0.6 . . . . 8 GLN N . 8 GLN H 16635 1 3 DNH . 1 1 8 8 GLU N N 15 . . 1 1 8 8 GLU H H 1 . -5.474 . . 0.6 . . . . 9 GLU N . 9 GLU H 16635 1 4 DNH . 1 1 9 9 GLU N N 15 . . 1 1 9 9 GLU H H 1 . -21.410 . . 1.2 . . . . 10 GLU N . 10 GLU H 16635 1 5 DNH . 1 1 11 11 LYS N N 15 . . 1 1 11 11 LYS H H 1 . 7.541 . . 0.6 . . . . 12 LYS N . 12 LYS H 16635 1 6 DNH . 1 1 12 12 GLU N N 15 . . 1 1 12 12 GLU H H 1 . -8.697 . . 1.2 . . . . 13 GLU N . 13 GLU H 16635 1 7 DNH . 1 1 14 14 ALA N N 15 . . 1 1 14 14 ALA H H 1 . -12.955 . . 0.6 . . . . 15 ALA N . 15 ALA H 16635 1 8 DNH . 1 1 15 15 LEU N N 15 . . 1 1 15 15 LEU H H 1 . -6.751 . . 0.6 . . . . 16 LEU N . 16 LEU H 16635 1 9 DNH . 1 1 16 16 VAL N N 15 . . 1 1 16 16 VAL H H 1 . -15.570 . . 1.2 . . . . 17 VAL N . 17 VAL H 16635 1 10 DNH . 1 1 17 17 GLU N N 15 . . 1 1 17 17 GLU H H 1 . 21.469 . . 0.6 . . . . 18 GLU N . 18 GLU H 16635 1 11 DNH . 1 1 18 18 ILE N N 15 . . 1 1 18 18 ILE H H 1 . -4.866 . . 1.2 . . . . 19 ILE N . 19 ILE H 16635 1 12 DNH . 1 1 19 19 ALA N N 15 . . 1 1 19 19 ALA H H 1 . -12.407 . . 2.0 . . . . 20 ALA N . 20 ALA H 16635 1 13 DNH . 1 1 20 20 HIS N N 15 . . 1 1 20 20 HIS H H 1 . -0.304 . . 1.2 . . . . 21 HIS N . 21 HIS H 16635 1 14 DNH . 1 1 21 21 GLU N N 15 . . 1 1 21 21 GLU H H 1 . 9.306 . . 2.0 . . . . 22 GLU N . 22 GLU H 16635 1 15 DNH . 1 1 23 23 PHE N N 15 . . 1 1 23 23 PHE H H 1 . -15.691 . . 2.0 . . . . 24 PHE N . 24 PHE H 16635 1 16 DNH . 1 1 24 24 GLU N N 15 . . 1 1 24 24 GLU H H 1 . 5.580 . . 1.2 . . . . 25 GLU N . 25 GLU H 16635 1 17 DNH . 1 1 26 26 HIS N N 15 . . 1 1 26 26 HIS H H 1 . -17.577 . . 1.2 . . . . 27 HIS N . 27 HIS H 16635 1 18 DNH . 1 1 28 28 LYS N N 15 . . 1 1 28 28 LYS H H 1 . 30.106 . . 1.2 . . . . 29 LYS N . 29 LYS H 16635 1 19 DNH . 1 1 30 30 VAL N N 15 . . 1 1 30 30 VAL H H 1 . -28.950 . . 1.2 . . . . 31 VAL N . 31 VAL H 16635 1 20 DNH . 1 1 32 32 PHE N N 15 . . 1 1 32 32 PHE H H 1 . 23.720 . . 1.2 . . . . 33 PHE N . 33 PHE H 16635 1 21 DNH . 1 1 33 33 GLN N N 15 . . 1 1 33 33 GLN H H 1 . 22.442 . . 0.6 . . . . 34 GLN N . 34 GLN H 16635 1 22 DNH . 1 1 34 34 GLU N N 15 . . 1 1 34 34 GLU H H 1 . 32.357 . . 1.2 . . . . 35 GLU N . 35 GLU H 16635 1 23 DNH . 1 1 36 36 LEU N N 15 . . 1 1 36 36 LEU H H 1 . 20.679 . . 2.0 . . . . 37 LEU N . 37 LEU H 16635 1 24 DNH . 1 1 38 38 GLU N N 15 . . 1 1 38 38 GLU H H 1 . 31.383 . . 1.2 . . . . 39 GLU N . 39 GLU H 16635 1 25 DNH . 1 1 41 41 SER N N 15 . . 1 1 41 41 SER H H 1 . 34.971 . . 1.2 . . . . 42 SER N . 42 SER H 16635 1 26 DNH . 1 1 42 42 LEU N N 15 . . 1 1 42 42 LEU H H 1 . 25.605 . . 1.2 . . . . 43 LEU N . 43 LEU H 16635 1 27 DNH . 1 1 45 45 VAL N N 15 . . 1 1 45 45 VAL H H 1 . 30.593 . . 2.0 . . . . 46 VAL N . 46 VAL H 16635 1 28 DNH . 1 1 47 47 LYS N N 15 . . 1 1 47 47 LYS H H 1 . -19.584 . . 1.2 . . . . 48 LYS N . 48 LYS H 16635 1 29 DNH . 1 1 48 48 GLU N N 15 . . 1 1 48 48 GLU H H 1 . -22.868 . . 1.2 . . . . 49 GLU N . 49 GLU H 16635 1 30 DNH . 1 1 49 49 GLU N N 15 . . 1 1 49 49 GLU H H 1 . -17.881 . . 1.2 . . . . 50 GLU N . 50 GLU H 16635 1 31 DNH . 1 1 51 51 GLY N N 15 . . 1 1 51 51 GLY H H 1 . -13.623 . . 1.2 . . . . 52 GLY N . 52 GLY H 16635 1 32 DNH . 1 1 52 52 ASP N N 15 . . 1 1 52 52 ASP H H 1 . 23.416 . . 1.2 . . . . 53 ASP N . 53 ASP H 16635 1 33 DNH . 1 1 53 53 ARG N N 15 . . 1 1 53 53 ARG H H 1 . 1.885 . . 1.2 . . . . 54 ARG N . 54 ARG H 16635 1 34 DNH . 1 1 58 58 TYR N N 15 . . 1 1 58 58 TYR H H 1 . 13.989 . . 2.0 . . . . 59 TYR N . 59 TYR H 16635 1 35 DNH . 1 1 60 60 ASP N N 15 . . 1 1 60 60 ASP H H 1 . 19.037 . . 1.2 . . . . 61 ASP N . 61 ASP H 16635 1 36 DNH . 1 1 69 69 ALA N N 15 . . 1 1 69 69 ALA H H 1 . -19.280 . . 1.2 . . . . 70 ALA N . 70 ALA H 16635 1 37 DNH . 1 1 70 70 LEU N N 15 . . 1 1 70 70 LEU H H 1 . 24.632 . . 1.2 . . . . 71 LEU N . 71 LEU H 16635 1 38 DNH . 1 1 73 73 GLN N N 15 . . 1 1 73 73 GLN H H 1 . 0.430 . . 1.2 . . . . 74 GLN N . 74 GLN H 16635 1 39 DNH . 1 1 74 74 THR N N 15 . . 1 1 74 74 THR H H 1 . 32.782 . . 1.2 . . . . 75 THR N . 75 THR H 16635 1 40 DNH . 1 1 76 76 GLY N N 15 . . 1 1 76 76 GLY H H 1 . -14.961 . . 1.2 . . . . 77 GLY N . 77 GLY H 16635 1 41 DNH . 1 1 77 77 LEU N N 15 . . 1 1 77 77 LEU H H 1 . -21.774 . . 1.2 . . . . 78 LEU N . 78 LEU H 16635 1 42 DNC . 1 1 5 5 TYR N N 15 . . 1 1 4 4 GLN C C 13 . -11.459 . . 0.2 . . . . 6 TYR N . 6 GLN C 16635 1 43 DNC . 1 1 7 7 GLN N N 15 . . 1 1 6 6 SER C C 13 . 0.132 . . 0.2 . . . . 8 GLN N . 8 TYR C 16635 1 44 DNC . 1 1 8 8 GLU N N 15 . . 1 1 7 7 GLN C C 13 . 10.606 . . 0.2 . . . . 9 GLU N . 9 GLN C 16635 1 45 DNC . 1 1 9 9 GLU N N 15 . . 1 1 8 8 GLU C C 13 . 7.909 . . 0.2 . . . . 10 GLU N . 10 GLU C 16635 1 46 DNC . 1 1 11 11 LYS N N 15 . . 1 1 10 10 LEU C C 13 . 28.766 . . 0.2 . . . . 12 LYS N . 12 LEU C 16635 1 47 DNC . 1 1 12 12 GLU N N 15 . . 1 1 11 11 LYS C C 13 . -11.119 . . 0.2 . . . . 13 GLU N . 13 LYS C 16635 1 48 DNC . 1 1 15 15 LEU N N 15 . . 1 1 14 14 ALA C C 13 . -12.915 . . 0.2 . . . . 16 LEU N . 16 ALA C 16635 1 49 DNC . 1 1 16 16 VAL N N 15 . . 1 1 15 15 LEU C C 13 . -9.547 . . 0.2 . . . . 17 VAL N . 17 LEU C 16635 1 50 DNC . 1 1 17 17 GLU N N 15 . . 1 1 16 16 VAL C C 13 . 16.828 . . 0.2 . . . . 18 GLU N . 18 VAL C 16635 1 51 DNC . 1 1 19 19 ALA N N 15 . . 1 1 18 18 ILE C C 13 . 2.424 . . 0.2 . . . . 20 ALA N . 20 ILE C 16635 1 52 DNC . 1 1 20 20 HIS N N 15 . . 1 1 19 19 ALA C C 13 . -21.759 . . 0.2 . . . . 21 HIS N . 21 ALA C 16635 1 53 DNC . 1 1 23 23 PHE N N 15 . . 1 1 22 22 LEU C C 13 . 1.688 . . 0.2 . . . . 24 PHE N . 24 LEU C 16635 1 54 DNC . 1 1 24 24 GLU N N 15 . . 1 1 23 23 PHE C C 13 . -1.026 . . 0.2 . . . . 25 GLU N . 25 PHE C 16635 1 55 DNC . 1 1 25 25 GLU N N 15 . . 1 1 24 24 GLU C C 13 . 14.379 . . 0.2 . . . . 26 GLU N . 26 GLU C 16635 1 56 DNC . 1 1 27 27 LYS N N 15 . . 1 1 26 26 HIS C C 13 . -12.162 . . 0.2 . . . . 28 LYS N . 28 HIS C 16635 1 57 DNC . 1 1 28 28 LYS N N 15 . . 1 1 27 27 LYS C C 13 . -6.279 . . 0.2 . . . . 29 LYS N . 29 LYS C 16635 1 58 DNC . 1 1 30 30 VAL N N 15 . . 1 1 29 29 PRO C C 13 . 2.714 . . 0.2 . . . . 31 VAL N . 31 PRO C 16635 1 59 DNC . 1 1 32 32 PHE N N 15 . . 1 1 31 31 PRO C C 13 . -17.225 . . 0.2 . . . . 33 PHE N . 33 PRO C 16635 1 60 DNC . 1 1 33 33 GLN N N 15 . . 1 1 32 32 PHE C C 13 . -19.500 . . 0.2 . . . . 34 GLN N . 34 PHE C 16635 1 61 DNC . 1 1 34 34 GLU N N 15 . . 1 1 33 33 GLN C C 13 . 6.412 . . 0.2 . . . . 35 GLU N . 35 GLN C 16635 1 62 DNC . 1 1 35 35 LEU N N 15 . . 1 1 34 34 GLU C C 13 . -6.329 . . 0.2 . . . . 36 LEU N . 36 GLU C 16635 1 63 DNC . 1 1 38 38 GLU N N 15 . . 1 1 37 37 ASN C C 13 . 7.694 . . 0.2 . . . . 39 GLU N . 39 ASN C 16635 1 64 DNC . 1 1 41 41 SER N N 15 . . 1 1 40 40 ALA C C 13 . -6.453 . . 0.2 . . . . 42 SER N . 42 ALA C 16635 1 65 DNC . 1 1 42 42 LEU N N 15 . . 1 1 41 41 SER C C 13 . -3.822 . . 0.2 . . . . 43 LEU N . 43 SER C 16635 1 66 DNC . 1 1 44 44 GLY N N 15 . . 1 1 43 43 LEU C C 13 . -23.902 . . 0.2 . . . . 45 GLY N . 45 LEU C 16635 1 67 DNC . 1 1 48 48 GLU N N 15 . . 1 1 47 47 LYS C C 13 . -2.275 . . 0.2 . . . . 49 GLU N . 49 LYS C 16635 1 68 DNC . 1 1 49 49 GLU N N 15 . . 1 1 48 48 GLU C C 13 . 3.301 . . 0.2 . . . . 50 GLU N . 50 GLU C 16635 1 69 DNC . 1 1 51 51 GLY N N 15 . . 1 1 50 50 LEU C C 13 . -10.979 . . 0.2 . . . . 52 GLY N . 52 LEU C 16635 1 70 DNC . 1 1 53 53 ARG N N 15 . . 1 1 52 52 ASP C C 13 . -6.337 . . 0.2 . . . . 54 ARG N . 54 ASP C 16635 1 71 DNC . 1 1 54 54 ILE N N 15 . . 1 1 53 53 ARG C C 13 . -12.278 . . 0.2 . . . . 55 ILE N . 55 ARG C 16635 1 72 DNC . 1 1 57 57 PHE N N 15 . . 1 1 56 56 GLN C C 13 . -21.089 . . 0.2 . . . . 58 PHE N . 58 GLN C 16635 1 73 DNC . 1 1 58 58 TYR N N 15 . . 1 1 57 57 PHE C C 13 . -6.834 . . 0.2 . . . . 59 TYR N . 59 PHE C 16635 1 74 DNC . 1 1 69 69 ALA N N 15 . . 1 1 68 68 LEU C C 13 . -8.836 . . 0.2 . . . . 70 ALA N . 70 LEU C 16635 1 75 DNC . 1 1 70 70 LEU N N 15 . . 1 1 69 69 ALA C C 13 . -28.857 . . 0.2 . . . . 71 LEU N . 71 ALA C 16635 1 76 DNC . 1 1 73 73 GLN N N 15 . . 1 1 72 72 ASP C C 13 . -18.052 . . 0.2 . . . . 74 GLN N . 74 ASP C 16635 1 77 DNC . 1 1 74 74 THR N N 15 . . 1 1 73 73 GLN C C 13 . -1.456 . . 0.2 . . . . 75 THR N . 75 GLN C 16635 1 78 DNC . 1 1 75 75 TRP N N 15 . . 1 1 74 74 THR C C 13 . 7.661 . . 0.2 . . . . 76 TRP N . 76 THR C 16635 1 79 DNC . 1 1 76 76 GLY N N 15 . . 1 1 75 75 TRP C C 13 . -10.193 . . 0.2 . . . . 77 GLY N . 77 TRP C 16635 1 80 DNC . 1 1 77 77 LEU N N 15 . . 1 1 76 76 GLY C C 13 . -2.548 . . 0.2 . . . . 78 LEU N . 78 GLY C 16635 1 81 DHC . 1 1 7 7 GLN H H 1 . . 1 1 6 6 SER C C 13 . -0.716 . . 0.3 . . . . 8 GLN H . 8 SER C 16635 1 82 DHC . 1 1 8 8 GLU H H 1 . . 1 1 7 7 GLN C C 13 . 10.250 . . 0.3 . . . . 9 GLU H . 9 GLN C 16635 1 83 DHC . 1 1 9 9 GLU H H 1 . . 1 1 8 8 GLU C C 13 . -7.102 . . 0.3 . . . . 10 GLU H . 10 GLU C 16635 1 84 DHC . 1 1 11 11 LYS H H 1 . . 1 1 10 10 LEU C C 13 . 30.103 . . 0.3 . . . . 12 LYS H . 12 LEU C 16635 1 85 DHC . 1 1 12 12 GLU H H 1 . . 1 1 11 11 LYS C C 13 . -6.935 . . 0.3 . . . . 13 GLU H . 13 LYS C 16635 1 86 DHC . 1 1 15 15 LEU H H 1 . . 1 1 14 14 ALA C C 13 . -10.548 . . 0.3 . . . . 16 LEU H . 16 ALA C 16635 1 87 DHC . 1 1 16 16 VAL H H 1 . . 1 1 15 15 LEU C C 13 . -23.785 . . 0.3 . . . . 17 VAL H . 17 LEU C 16635 1 88 DHC . 1 1 17 17 GLU H H 1 . . 1 1 16 16 VAL C C 13 . 26.285 . . 0.3 . . . . 18 GLU H . 18 VAL C 16635 1 89 DHC . 1 1 20 20 HIS H H 1 . . 1 1 19 19 ALA C C 13 . -20.864 . . 0.3 . . . . 21 HIS H . 21 ALA C 16635 1 90 DHC . 1 1 23 23 PHE H H 1 . . 1 1 22 22 LEU C C 13 . -25.491 . . 0.3 . . . . 24 PHE H . 24 LEU C 16635 1 91 DHC . 1 1 24 24 GLU H H 1 . . 1 1 23 23 PHE C C 13 . 4.572 . . 0.3 . . . . 25 GLU H . 25 PHE C 16635 1 92 DHC . 1 1 25 25 GLU H H 1 . . 1 1 24 24 GLU C C 13 . 14.664 . . 0.3 . . . . 26 GLU H . 26 GLU C 16635 1 93 DHC . 1 1 27 27 LYS H H 1 . . 1 1 26 26 HIS C C 13 . -21.692 . . 0.3 . . . . 28 LYS H . 28 HIS C 16635 1 94 DHC . 1 1 30 30 VAL H H 1 . . 1 1 29 29 PRO C C 13 . -12.887 . . 0.3 . . . . 31 VAL H . 31 PRO C 16635 1 95 DHC . 1 1 32 32 PHE H H 1 . . 1 1 31 31 PRO C C 13 . -8.176 . . 0.3 . . . . 33 PHE H . 33 PRO C 16635 1 96 DHC . 1 1 33 33 GLN H H 1 . . 1 1 32 32 PHE C C 13 . -5.077 . . 0.3 . . . . 34 GLN H . 34 PHE C 16635 1 97 DHC . 1 1 35 35 LEU H H 1 . . 1 1 34 34 GLU C C 13 . 8.780 . . 0.3 . . . . 36 LEU H . 36 GLU C 16635 1 98 DHC . 1 1 38 38 GLU H H 1 . . 1 1 37 37 ASN C C 13 . 27.392 . . 0.3 . . . . 39 GLU H . 39 ASN C 16635 1 99 DHC . 1 1 41 41 SER H H 1 . . 1 1 40 40 ALA C C 13 . 20.225 . . 0.3 . . . . 42 SER H . 42 ALA C 16635 1 100 DHC . 1 1 42 42 LEU H H 1 . . 1 1 41 41 SER C C 13 . 13.733 . . 0.3 . . . . 43 LEU H . 43 SER C 16635 1 101 DHC . 1 1 44 44 GLY H H 1 . . 1 1 43 43 LEU C C 13 . -4.683 . . 0.3 . . . . 45 GLY H . 45 LEU C 16635 1 102 DHC . 1 1 47 47 LYS H H 1 . . 1 1 46 46 LYS C C 13 . 13.029 . . 0.3 . . . . 48 LYS H . 48 LYS C 16635 1 103 DHC . 1 1 48 48 GLU H H 1 . . 1 1 47 47 LYS C C 13 . -11.423 . . 0.3 . . . . 49 GLU H . 49 LYS C 16635 1 104 DHC . 1 1 49 49 GLU H H 1 . . 1 1 48 48 GLU C C 13 . -8.191 . . 0.3 . . . . 50 GLU H . 50 GLU C 16635 1 105 DHC . 1 1 51 51 GLY H H 1 . . 1 1 50 50 LEU C C 13 . -12.412 . . 0.3 . . . . 52 GLY H . 52 LEU C 16635 1 106 DHC . 1 1 53 53 ARG H H 1 . . 1 1 52 52 ASP C C 13 . -2.751 . . 0.3 . . . . 54 ARG H . 54 ASP C 16635 1 107 DHC . 1 1 54 54 ILE H H 1 . . 1 1 53 53 ARG C C 13 . -11.956 . . 0.3 . . . . 55 ILE H . 55 ARG C 16635 1 108 DHC . 1 1 57 57 PHE H H 1 . . 1 1 56 56 GLN C C 13 . -8.659 . . 0.3 . . . . 58 PHE H . 58 GLN C 16635 1 109 DHC . 1 1 58 58 TYR H H 1 . . 1 1 57 57 PHE C C 13 . -10.303 . . 0.3 . . . . 59 TYR H . 59 PHE C 16635 1 110 DHC . 1 1 63 63 ILE H H 1 . . 1 1 62 62 ASN C C 13 . 28.484 . . 0.3 . . . . 64 ILE H . 64 ASN C 16635 1 111 DHC . 1 1 69 69 ALA H H 1 . . 1 1 68 68 LEU C C 13 . -9.763 . . 0.3 . . . . 70 ALA H . 70 LEU C 16635 1 112 DHC . 1 1 70 70 LEU H H 1 . . 1 1 69 69 ALA C C 13 . -13.895 . . 0.3 . . . . 71 LEU H . 71 ALA C 16635 1 113 DHC . 1 1 74 74 THR H H 1 . . 1 1 73 73 GLN C C 13 . 17.157 . . 0.3 . . . . 75 THR H . 75 GLN C 16635 1 114 DHC . 1 1 75 75 TRP H H 1 . . 1 1 74 74 THR C C 13 . 22.070 . . 0.3 . . . . 76 TRP H . 76 THR C 16635 1 115 DHC . 1 1 76 76 GLY H H 1 . . 1 1 75 75 TRP C C 13 . -14.642 . . 0.3 . . . . 77 GLY H . 77 TRP C 16635 1 116 DHC . 1 1 77 77 LEU H H 1 . . 1 1 76 76 GLY C C 13 . -8.253 . . 0.3 . . . . 78 LEU H . 78 GLY C 16635 1 117 DHC . 1 1 86 86 LEU H H 1 . . 1 1 85 85 GLN C C 13 . -3.933 . . 0.3 . . . . 87 LEU H . 87 GLN C 16635 1 118 DHC . 1 1 87 87 ASP H H 1 . . 1 1 86 86 LEU C C 13 . -0.809 . . 0.3 . . . . 88 ASP H . 88 LEU C 16635 1 119 DCC . 1 1 6 6 SER CA C 13 . . 1 1 6 6 SER C C 13 . -14.474 . . 0.3 . . . . 7 SER C . 7 SER C 16635 1 120 DCC . 1 1 8 8 GLU CA C 13 . . 1 1 8 8 GLU C C 13 . 8.532 . . 0.3 . . . . 9 GLU C . 9 GLU C 16635 1 121 DCC . 1 1 13 13 MET CA C 13 . . 1 1 13 13 MET C C 13 . 1.336 . . 0.3 . . . . 14 MET C . 14 MET C 16635 1 122 DCC . 1 1 14 14 ALA CA C 13 . . 1 1 14 14 ALA C C 13 . -14.776 . . 0.3 . . . . 15 ALA C . 15 ALA C 16635 1 123 DCC . 1 1 18 18 ILE CA C 13 . . 1 1 18 18 ILE C C 13 . 27.532 . . 0.3 . . . . 19 ILE C . 19 ILE C 16635 1 124 DCC . 1 1 19 19 ALA CA C 13 . . 1 1 19 19 ALA C C 13 . 9.202 . . 0.3 . . . . 20 ALA C . 20 ALA C 16635 1 125 DCC . 1 1 23 23 PHE CA C 13 . . 1 1 23 23 PHE C C 13 . -8.678 . . 0.3 . . . . 24 PHE C . 24 PHE C 16635 1 126 DCC . 1 1 32 32 PHE CA C 13 . . 1 1 32 32 PHE C C 13 . 23.742 . . 0.3 . . . . 33 PHE C . 33 PHE C 16635 1 127 DCC . 1 1 40 40 ALA CA C 13 . . 1 1 40 40 ALA C C 13 . 7.675 . . 0.3 . . . . 41 ALA C . 41 ALA C 16635 1 128 DCC . 1 1 45 45 VAL CA C 13 . . 1 1 45 45 VAL C C 13 . 8.799 . . 0.3 . . . . 46 VAL C . 46 VAL C 16635 1 129 DCC . 1 1 50 50 LEU CA C 13 . . 1 1 50 50 LEU C C 13 . -15.124 . . 0.3 . . . . 51 LEU C . 51 LEU C 16635 1 130 DCC . 1 1 51 51 GLY CA C 13 . . 1 1 51 51 GLY C C 13 . -2.585 . . 0.3 . . . . 52 GLY C . 52 GLY C 16635 1 131 DCC . 1 1 52 52 ASP CA C 13 . . 1 1 52 52 ASP C C 13 . 0.766 . . 0.3 . . . . 53 ASP C . 53 ASP C 16635 1 132 DCC . 1 1 55 55 ALA CA C 13 . . 1 1 55 55 ALA C C 13 . -19.710 . . 0.3 . . . . 56 ALA C . 56 ALA C 16635 1 133 DCC . 1 1 58 58 TYR CA C 13 . . 1 1 58 58 TYR C C 13 . -15.507 . . 0.3 . . . . 59 TYR C . 59 TYR C 16635 1 134 DCC . 1 1 59 59 THR CA C 13 . . 1 1 59 59 THR C C 13 . -11.541 . . 0.3 . . . . 60 THR C . 60 THR C 16635 1 135 DCC . 1 1 72 72 ASP CA C 13 . . 1 1 72 72 ASP C C 13 . 39.763 . . 0.3 . . . . 73 ASP C . 73 ASP C 16635 1 136 DCC . 1 1 73 73 GLN CA C 13 . . 1 1 73 73 GLN C C 13 . 3.185 . . 0.3 . . . . 74 GLN C . 74 GLN C 16635 1 137 DCC . 1 1 74 74 THR CA C 13 . . 1 1 74 74 THR C C 13 . -29.180 . . 0.3 . . . . 75 THR C . 75 THR C 16635 1 138 DCC . 1 1 75 75 TRP CA C 13 . . 1 1 75 75 TRP C C 13 . -14.801 . . 0.3 . . . . 76 TRP C . 76 TRP C 16635 1 139 DCC . 1 1 83 83 TYR CA C 13 . . 1 1 83 83 TYR C C 13 . 11.228 . . 0.3 . . . . 84 TYR C . 84 TYR C 16635 1 140 DCC . 1 1 84 84 ASP CA C 13 . . 1 1 84 84 ASP C C 13 . -6.360 . . 0.3 . . . . 85 ASP C . 85 ASP C 16635 1 141 DCH . 1 1 2 2 ILE CA C 13 . . 1 1 2 2 ILE HA H 1 . -20.924 . . 2.5 . . . . 3 ILE C . 3 ILE HA 16635 1 142 DCH . 1 1 8 8 GLU CA C 13 . . 1 1 8 8 GLU HA H 1 . -5.978 . . 2.5 . . . . 9 GLU C . 9 GLU HA 16635 1 143 DCH . 1 1 10 10 LEU CA C 13 . . 1 1 10 10 LEU HA H 1 . 9.266 . . 2.5 . . . . 11 LEU C . 11 LEU HA 16635 1 144 DCH . 1 1 14 14 ALA CA C 13 . . 1 1 14 14 ALA HA H 1 . 4.783 . . 2.5 . . . . 15 ALA C . 15 ALA HA 16635 1 145 DCH . 1 1 15 15 LEU CA C 13 . . 1 1 15 15 LEU HA H 1 . 2.092 . . 2.5 . . . . 16 LEU C . 16 LEU HA 16635 1 146 DCH . 1 1 16 16 VAL CA C 13 . . 1 1 16 16 VAL HA H 1 . -10.163 . . 2.5 . . . . 17 VAL C . 17 VAL HA 16635 1 147 DCH . 1 1 18 18 ILE CA C 13 . . 1 1 18 18 ILE HA H 1 . -4.484 . . 2.5 . . . . 19 ILE C . 19 ILE HA 16635 1 148 DCH . 1 1 27 27 LYS CA C 13 . . 1 1 27 27 LYS HA H 1 . -0.897 . . 2.5 . . . . 28 LYS C . 28 LYS HA 16635 1 149 DCH . 1 1 29 29 PRO CA C 13 . . 1 1 29 29 PRO HA H 1 . -23.615 . . 2.5 . . . . 30 PRO C . 30 PRO HA 16635 1 150 DCH . 1 1 30 30 VAL CA C 13 . . 1 1 30 30 VAL HA H 1 . -21.223 . . 2.5 . . . . 31 VAL C . 31 VAL HA 16635 1 151 DCH . 1 1 31 31 PRO CA C 13 . . 1 1 31 31 PRO HA H 1 . 17.936 . . 2.5 . . . . 32 PRO C . 32 PRO HA 16635 1 152 DCH . 1 1 36 36 LEU CA C 13 . . 1 1 36 36 LEU HA H 1 . -17.337 . . 2.5 . . . . 37 LEU C . 37 LEU HA 16635 1 153 DCH . 1 1 39 39 ILE CA C 13 . . 1 1 39 39 ILE HA H 1 . -14.946 . . 2.5 . . . . 40 ILE C . 40 ILE HA 16635 1 154 DCH . 1 1 40 40 ALA CA C 13 . . 1 1 40 40 ALA HA H 1 . -8.968 . . 2.5 . . . . 41 ALA C . 41 ALA HA 16635 1 155 DCH . 1 1 41 41 SER CA C 13 . . 1 1 41 41 SER HA H 1 . 25.707 . . 2.5 . . . . 42 SER C . 42 SER HA 16635 1 156 DCH . 1 1 47 47 LYS CA C 13 . . 1 1 47 47 LYS HA H 1 . -15.544 . . 2.5 . . . . 48 LYS C . 48 LYS HA 16635 1 157 DCH . 1 1 54 54 ILE CA C 13 . . 1 1 54 54 ILE HA H 1 . -12.853 . . 2.5 . . . . 55 ILE C . 55 ILE HA 16635 1 158 DCH . 1 1 59 59 THR CA C 13 . . 1 1 59 59 THR HA H 1 . 33.479 . . 2.5 . . . . 60 THR C . 60 THR HA 16635 1 159 DCH . 1 1 61 61 LEU CA C 13 . . 1 1 61 61 LEU HA H 1 . -12.555 . . 2.5 . . . . 62 LEU C . 62 LEU HA 16635 1 160 DCH . 1 1 63 63 ILE CA C 13 . . 1 1 63 63 ILE HA H 1 . 40.055 . . 2.5 . . . . 64 ILE C . 64 ILE HA 16635 1 161 DCH . 1 1 67 67 PHE CA C 13 . . 1 1 67 67 PHE HA H 1 . -23.615 . . 2.5 . . . . 68 PHE C . 68 PHE HA 16635 1 162 DCH . 1 1 75 75 TRP CA C 13 . . 1 1 75 75 TRP HA H 1 . 4.484 . . 2.5 . . . . 76 TRP C . 76 TRP HA 16635 1 163 DCH . 1 1 82 82 PRO CA C 13 . . 1 1 82 82 PRO HA H 1 . -2.092 . . 2.5 . . . . 83 PRO C . 83 PRO HA 16635 1 164 DCH . 1 1 83 83 TYR CA C 13 . . 1 1 83 83 TYR HA H 1 . 1.196 . . 2.5 . . . . 84 TYR C . 84 TYR HA 16635 1 165 DCH . 1 1 84 84 ASP CA C 13 . . 1 1 84 84 ASP HA H 1 . -1.196 . . 2.5 . . . . 85 ASP C . 85 ASP HA 16635 1 166 DCH . 1 1 87 87 ASP CA C 13 . . 1 1 87 87 ASP HA H 1 . 5.680 . . 2.5 . . . . 88 ASP C . 88 ASP HA 16635 1 167 DCH . 1 1 90 90 THR CA C 13 . . 1 1 90 90 THR HA H 1 . 3.288 . . 2.5 . . . . 91 THR C . 91 THR HA 16635 1 168 DCH . 1 1 93 93 GLU CA C 13 . . 1 1 93 93 GLU HA H 1 . 2.989 . . 2.5 . . . . 94 GLU C . 94 GLU HA 16635 1 169 DCH . 1 1 95 95 HIS CA C 13 . . 1 1 95 95 HIS HA H 1 . -1.794 . . 2.5 . . . . 96 HIS C . 96 HIS HA 16635 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 16635 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600.153 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 17 '2D 1H-15N IPAP' . . . 16635 2 18 '2D HN[C]-S3E' . . . 16635 2 19 '2D (H)CACO-IPAP' . . . 16635 2 20 '2D 13C-coupled 1H-13C HSQC' . . . 16635 2 23 '2D 1H-15N IPAP' . . . 16635 2 24 '2D HN[C]-S3E' . . . 16635 2 25 '2D (H)CACO-IPAP' . . . 16635 2 26 '2D 13C-coupled 1H-13C HSQC' . . . 16635 2 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 3 $SPARKY . . 16635 2 7 $S3EPY . . 16635 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 6 6 SER N N 15 . . 1 1 6 6 SER H H 1 . -8.560 . . 1.2 . . . . 7 SER N . 7 SER H 16635 2 2 DNH . 1 1 7 7 GLN N N 15 . . 1 1 7 7 GLN H H 1 . -0.056 . . 1.2 . . . . 8 GLN N . 8 GLN H 16635 2 3 DNH . 1 1 8 8 GLU N N 15 . . 1 1 8 8 GLU H H 1 . -6.249 . . 1.2 . . . . 9 GLU N . 9 GLU H 16635 2 4 DNH . 1 1 12 12 GLU N N 15 . . 1 1 12 12 GLU H H 1 . -7.306 . . 1.2 . . . . 13 GLU N . 13 GLU H 16635 2 5 DNH . 1 1 14 14 ALA N N 15 . . 1 1 14 14 ALA H H 1 . -4.237 . . 1.2 . . . . 15 ALA N . 15 ALA H 16635 2 6 DNH . 1 1 15 15 LEU N N 15 . . 1 1 15 15 LEU H H 1 . -2.538 . . 1.2 . . . . 16 LEU N . 16 LEU H 16635 2 7 DNH . 1 1 16 16 VAL N N 15 . . 1 1 16 16 VAL H H 1 . -7.731 . . 1.2 . . . . 17 VAL N . 17 VAL H 16635 2 8 DNH . 1 1 17 17 GLU N N 15 . . 1 1 17 17 GLU H H 1 . 12.601 . . 1.2 . . . . 18 GLU N . 18 GLU H 16635 2 9 DNH . 1 1 18 18 ILE N N 15 . . 1 1 18 18 ILE H H 1 . -3.966 . . 1.2 . . . . 19 ILE N . 19 ILE H 16635 2 10 DNH . 1 1 19 19 ALA N N 15 . . 1 1 19 19 ALA H H 1 . -6.662 . . 1.2 . . . . 20 ALA N . 20 ALA H 16635 2 11 DNH . 1 1 20 20 HIS N N 15 . . 1 1 20 20 HIS H H 1 . -2.841 . . 1.2 . . . . 21 HIS N . 21 HIS H 16635 2 12 DNH . 1 1 21 21 GLU N N 15 . . 1 1 21 21 GLU H H 1 . 5.066 . . 1.2 . . . . 22 GLU N . 22 GLU H 16635 2 13 DNH . 1 1 23 23 PHE N N 15 . . 1 1 23 23 PHE H H 1 . -8.460 . . 1.2 . . . . 24 PHE N . 24 PHE H 16635 2 14 DNH . 1 1 26 26 HIS N N 15 . . 1 1 26 26 HIS H H 1 . -8.799 . . 1.2 . . . . 27 HIS N . 27 HIS H 16635 2 15 DNH . 1 1 27 27 LYS N N 15 . . 1 1 27 27 LYS H H 1 . -5.949 . . 1.2 . . . . 28 LYS N . 28 LYS H 16635 2 16 DNH . 1 1 28 28 LYS N N 15 . . 1 1 28 28 LYS H H 1 . 14.021 . . 1.2 . . . . 29 LYS N . 29 LYS H 16635 2 17 DNH . 1 1 30 30 VAL N N 15 . . 1 1 30 30 VAL H H 1 . -11.101 . . 1.2 . . . . 31 VAL N . 31 VAL H 16635 2 18 DNH . 1 1 32 32 PHE N N 15 . . 1 1 32 32 PHE H H 1 . 8.063 . . 1.2 . . . . 33 PHE N . 33 PHE H 16635 2 19 DNH . 1 1 33 33 GLN N N 15 . . 1 1 33 33 GLN H H 1 . 5.916 . . 1.2 . . . . 34 GLN N . 34 GLN H 16635 2 20 DNH . 1 1 35 35 LEU N N 15 . . 1 1 35 35 LEU H H 1 . 7.417 . . 1.2 . . . . 36 LEU N . 36 LEU H 16635 2 21 DNH . 1 1 36 36 LEU N N 15 . . 1 1 36 36 LEU H H 1 . 3.931 . . 1.2 . . . . 37 LEU N . 37 LEU H 16635 2 22 DNH . 1 1 38 38 GLU N N 15 . . 1 1 38 38 GLU H H 1 . 15.464 . . 1.2 . . . . 39 GLU N . 39 GLU H 16635 2 23 DNH . 1 1 41 41 SER N N 15 . . 1 1 41 41 SER H H 1 . 15.111 . . 1.2 . . . . 42 SER N . 42 SER H 16635 2 24 DNH . 1 1 42 42 LEU N N 15 . . 1 1 42 42 LEU H H 1 . 11.133 . . 1.2 . . . . 43 LEU N . 43 LEU H 16635 2 25 DNH . 1 1 47 47 LYS N N 15 . . 1 1 47 47 LYS H H 1 . -10.184 . . 1.2 . . . . 48 LYS N . 48 LYS H 16635 2 26 DNH . 1 1 48 48 GLU N N 15 . . 1 1 48 48 GLU H H 1 . -8.210 . . 1.2 . . . . 49 GLU N . 49 GLU H 16635 2 27 DNH . 1 1 49 49 GLU N N 15 . . 1 1 49 49 GLU H H 1 . -9.016 . . 1.2 . . . . 50 GLU N . 50 GLU H 16635 2 28 DNH . 1 1 50 50 LEU N N 15 . . 1 1 50 50 LEU H H 1 . -7.402 . . 1.2 . . . . 51 LEU N . 51 LEU H 16635 2 29 DNH . 1 1 52 52 ASP N N 15 . . 1 1 52 52 ASP H H 1 . 15.063 . . 1.2 . . . . 53 ASP N . 53 ASP H 16635 2 30 DNH . 1 1 53 53 ARG N N 15 . . 1 1 53 53 ARG H H 1 . 8.051 . . 1.2 . . . . 54 ARG N . 54 ARG H 16635 2 31 DNH . 1 1 57 57 PHE N N 15 . . 1 1 57 57 PHE H H 1 . 13.580 . . 1.2 . . . . 58 PHE N . 58 PHE H 16635 2 32 DNH . 1 1 58 58 TYR N N 15 . . 1 1 58 58 TYR H H 1 . 13.363 . . 1.2 . . . . 59 TYR N . 59 TYR H 16635 2 33 DNH . 1 1 64 64 ASP N N 15 . . 1 1 64 64 ASP H H 1 . -2.120 . . 1.2 . . . . 65 ASP N . 65 ASP H 16635 2 34 DNH . 1 1 69 69 ALA N N 15 . . 1 1 69 69 ALA H H 1 . -6.554 . . 1.2 . . . . 70 ALA N . 70 ALA H 16635 2 35 DNH . 1 1 70 70 LEU N N 15 . . 1 1 70 70 LEU H H 1 . 17.412 . . 1.2 . . . . 71 LEU N . 71 LEU H 16635 2 36 DNH . 1 1 71 71 SER N N 15 . . 1 1 71 71 SER H H 1 . 9.101 . . 1.2 . . . . 72 SER N . 72 SER H 16635 2 37 DNH . 1 1 75 75 TRP N N 15 . . 1 1 75 75 TRP H H 1 . 7.584 . . 1.2 . . . . 76 TRP N . 76 TRP H 16635 2 38 DNH . 1 1 76 76 GLY N N 15 . . 1 1 76 76 GLY H H 1 . -6.841 . . 1.2 . . . . 77 GLY N . 77 GLY H 16635 2 39 DNH . 1 1 86 86 LEU N N 15 . . 1 1 86 86 LEU H H 1 . -1.176 . . 1.2 . . . . 87 LEU N . 87 LEU H 16635 2 40 DNH . 1 1 88 88 GLU N N 15 . . 1 1 88 88 GLU H H 1 . -0.170 . . 1.2 . . . . 89 GLU N . 89 GLU H 16635 2 41 DNH . 1 1 90 90 THR N N 15 . . 1 1 90 90 THR H H 1 . -0.700 . . 1.2 . . . . 91 THR N . 91 THR H 16635 2 42 DNH . 1 1 92 92 LEU N N 15 . . 1 1 92 92 LEU H H 1 . -1.225 . . 1.2 . . . . 93 LEU N . 93 LEU H 16635 2 43 DNC . 1 1 5 5 TYR N N 15 . . 1 1 4 4 GLN C C 13 . -7.562 . . 0.2 . . . . 6 TYR N . 5 GLN C 16635 2 44 DNC . 1 1 7 7 GLN N N 15 . . 1 1 6 6 SER C C 13 . 6.610 . . 0.2 . . . . 8 GLN N . 7 TYR C 16635 2 45 DNC . 1 1 8 8 GLU N N 15 . . 1 1 7 7 GLN C C 13 . -2.019 . . 0.2 . . . . 9 GLU N . 8 GLN C 16635 2 46 DNC . 1 1 9 9 GLU N N 15 . . 1 1 8 8 GLU C C 13 . 6.172 . . 0.2 . . . . 10 GLU N . 9 GLU C 16635 2 47 DNC . 1 1 12 12 GLU N N 15 . . 1 1 11 11 LYS C C 13 . -4.013 . . 0.2 . . . . 13 GLU N . 12 LYS C 16635 2 48 DNC . 1 1 14 14 ALA N N 15 . . 1 1 13 13 MET C C 13 . 8.894 . . 0.2 . . . . 15 ALA N . 14 MET C 16635 2 49 DNC . 1 1 15 15 LEU N N 15 . . 1 1 14 14 ALA C C 13 . -8.381 . . 0.2 . . . . 16 LEU N . 15 ALA C 16635 2 50 DNC . 1 1 16 16 VAL N N 15 . . 1 1 15 15 LEU C C 13 . 0.174 . . 0.2 . . . . 17 VAL N . 16 LEU C 16635 2 51 DNC . 1 1 17 17 GLU N N 15 . . 1 1 16 16 VAL C C 13 . 1.406 . . 0.2 . . . . 18 GLU N . 17 VAL C 16635 2 52 DNC . 1 1 18 18 ILE N N 15 . . 1 1 17 17 GLU C C 13 . 7.669 . . 0.2 . . . . 19 ILE N . 18 GLU C 16635 2 53 DNC . 1 1 19 19 ALA N N 15 . . 1 1 18 18 ILE C C 13 . -3.293 . . 0.2 . . . . 20 ALA N . 19 ILE C 16635 2 54 DNC . 1 1 20 20 HIS N N 15 . . 1 1 19 19 ALA C C 13 . -8.282 . . 0.2 . . . . 21 HIS N . 20 ALA C 16635 2 55 DNC . 1 1 23 23 PHE N N 15 . . 1 1 22 22 LEU C C 13 . 2.283 . . 0.2 . . . . 24 PHE N . 23 LEU C 16635 2 56 DNC . 1 1 24 24 GLU N N 15 . . 1 1 23 23 PHE C C 13 . -8.406 . . 0.2 . . . . 25 GLU N . 24 PHE C 16635 2 57 DNC . 1 1 25 25 GLU N N 15 . . 1 1 24 24 GLU C C 13 . 11.748 . . 0.2 . . . . 26 GLU N . 25 GLU C 16635 2 58 DNC . 1 1 27 27 LYS N N 15 . . 1 1 26 26 HIS C C 13 . -0.405 . . 0.2 . . . . 28 LYS N . 27 HIS C 16635 2 59 DNC . 1 1 28 28 LYS N N 15 . . 1 1 27 27 LYS C C 13 . -1.779 . . 0.2 . . . . 29 LYS N . 28 LYS C 16635 2 60 DNC . 1 1 30 30 VAL N N 15 . . 1 1 29 29 PRO C C 13 . 0.786 . . 0.2 . . . . 31 VAL N . 30 PRO C 16635 2 61 DNC . 1 1 32 32 PHE N N 15 . . 1 1 31 31 PRO C C 13 . -11.847 . . 0.2 . . . . 33 PHE N . 32 PRO C 16635 2 62 DNC . 1 1 33 33 GLN N N 15 . . 1 1 32 32 PHE C C 13 . -10.615 . . 0.2 . . . . 34 GLN N . 33 PHE C 16635 2 63 DNC . 1 1 34 34 GLU N N 15 . . 1 1 33 33 GLN C C 13 . 4.319 . . 0.2 . . . . 35 GLU N . 34 GLN C 16635 2 64 DNC . 1 1 38 38 GLU N N 15 . . 1 1 37 37 ASN C C 13 . 10.036 . . 0.2 . . . . 39 GLU N . 38 ASN C 16635 2 65 DNC . 1 1 41 41 SER N N 15 . . 1 1 40 40 ALA C C 13 . -3.516 . . 0.2 . . . . 42 SER N . 41 ALA C 16635 2 66 DNC . 1 1 42 42 LEU N N 15 . . 1 1 41 41 SER C C 13 . 4.674 . . 0.2 . . . . 43 LEU N . 42 SER C 16635 2 67 DNC . 1 1 44 44 GLY N N 15 . . 1 1 43 43 LEU C C 13 . -12.567 . . 0.2 . . . . 45 GLY N . 44 LEU C 16635 2 68 DNC . 1 1 48 48 GLU N N 15 . . 1 1 47 47 LYS C C 13 . 4.104 . . 0.2 . . . . 49 GLU N . 48 LYS C 16635 2 69 DNC . 1 1 49 49 GLU N N 15 . . 1 1 48 48 GLU C C 13 . -4.021 . . 0.2 . . . . 50 GLU N . 49 GLU C 16635 2 70 DNC . 1 1 50 50 LEU N N 15 . . 1 1 49 49 GLU C C 13 . 16.530 . . 0.2 . . . . 51 LEU N . 50 GLU C 16635 2 71 DNC . 1 1 51 51 GLY N N 15 . . 1 1 50 50 LEU C C 13 . -6.329 . . 0.2 . . . . 52 GLY N . 51 LEU C 16635 2 72 DNC . 1 1 52 52 ASP N N 15 . . 1 1 51 51 GLY C C 13 . -6.048 . . 0.2 . . . . 53 ASP N . 52 GLY C 16635 2 73 DNC . 1 1 53 53 ARG N N 15 . . 1 1 52 52 ASP C C 13 . -5.775 . . 0.2 . . . . 54 ARG N . 53 ASP C 16635 2 74 DNC . 1 1 57 57 PHE N N 15 . . 1 1 56 56 GLN C C 13 . -8.207 . . 0.2 . . . . 58 PHE N . 57 GLN C 16635 2 75 DNC . 1 1 58 58 TYR N N 15 . . 1 1 57 57 PHE C C 13 . -10.433 . . 0.2 . . . . 59 TYR N . 58 PHE C 16635 2 76 DNC . 1 1 64 64 ASP N N 15 . . 1 1 63 63 ILE C C 13 . -4.401 . . 0.2 . . . . 65 ASP N . 64 ILE C 16635 2 77 DNC . 1 1 66 66 ARG N N 15 . . 1 1 65 65 GLY C C 13 . 9.804 . . 0.2 . . . . 67 ARG N . 66 GLY C 16635 2 78 DNC . 1 1 69 69 ALA N N 15 . . 1 1 68 68 LEU C C 13 . -7.901 . . 0.2 . . . . 70 ALA N . 69 LEU C 16635 2 79 DNC . 1 1 70 70 LEU N N 15 . . 1 1 69 69 ALA C C 13 . -12.178 . . 0.2 . . . . 71 LEU N . 70 ALA C 16635 2 80 DNC . 1 1 74 74 THR N N 15 . . 1 1 73 73 GLN C C 13 . 2.019 . . 0.2 . . . . 75 THR N . 74 GLN C 16635 2 81 DNC . 1 1 75 75 TRP N N 15 . . 1 1 74 74 THR C C 13 . -0.993 . . 0.2 . . . . 76 TRP N . 75 THR C 16635 2 82 DNC . 1 1 76 76 GLY N N 15 . . 1 1 75 75 TRP C C 13 . 2.523 . . 0.2 . . . . 77 GLY N . 76 TRP C 16635 2 83 DNC . 1 1 77 77 LEU N N 15 . . 1 1 76 76 GLY C C 13 . -6.346 . . 0.2 . . . . 78 LEU N . 77 GLY C 16635 2 84 DNC . 1 1 79 79 SER N N 15 . . 1 1 78 78 ARG C C 13 . -0.753 . . 0.2 . . . . 80 SER N . 79 ARG C 16635 2 85 DNC . 1 1 80 80 TRP N N 15 . . 1 1 79 79 SER C C 13 . -7.322 . . 0.2 . . . . 81 TRP N . 80 SER C 16635 2 86 DNC . 1 1 92 92 LEU N N 15 . . 1 1 91 91 GLN C C 13 . -1.051 . . 0.2 . . . . 93 LEU N . 92 GLN C 16635 2 87 DCC . 1 1 2 2 ILE H H 1 . . 1 1 1 1 GLY C C 13 . -5.034 . . 0.3 . . . . 3 ILE H . 2 GLY C 16635 2 88 DCC . 1 1 5 5 TYR H H 1 . . 1 1 4 4 GLN C C 13 . -5.421 . . 0.3 . . . . 6 TYR H . 5 GLN C 16635 2 89 DCC . 1 1 6 6 SER H H 1 . . 1 1 5 5 TYR C C 13 . -1.613 . . 0.3 . . . . 7 SER H . 6 TYR C 16635 2 90 DCC . 1 1 7 7 GLN H H 1 . . 1 1 6 6 SER C C 13 . 7.437 . . 0.3 . . . . 8 GLN H . 7 SER C 16635 2 91 DCC . 1 1 8 8 GLU H H 1 . . 1 1 7 7 GLN C C 13 . -0.226 . . 0.3 . . . . 9 GLU H . 8 GLN C 16635 2 92 DCC . 1 1 9 9 GLU H H 1 . . 1 1 8 8 GLU C C 13 . -4.702 . . 0.3 . . . . 10 GLU H . 9 GLU C 16635 2 93 DCC . 1 1 12 12 GLU H H 1 . . 1 1 11 11 LYS C C 13 . -5.338 . . 0.3 . . . . 13 GLU H . 12 LYS C 16635 2 94 DCC . 1 1 13 13 MET H H 1 . . 1 1 12 12 GLU C C 13 . -7.245 . . 0.3 . . . . 14 MET H . 13 GLU C 16635 2 95 DCC . 1 1 14 14 ALA H H 1 . . 1 1 13 13 MET C C 13 . 8.945 . . 0.3 . . . . 15 ALA H . 14 MET C 16635 2 96 DCC . 1 1 15 15 LEU H H 1 . . 1 1 14 14 ALA C C 13 . -6.622 . . 0.3 . . . . 16 LEU H . 15 ALA C 16635 2 97 DCC . 1 1 16 16 VAL H H 1 . . 1 1 15 15 LEU C C 13 . -8.824 . . 0.3 . . . . 17 VAL H . 16 LEU C 16635 2 98 DCC . 1 1 17 17 GLU H H 1 . . 1 1 16 16 VAL C C 13 . 9.534 . . 0.3 . . . . 18 GLU H . 17 VAL C 16635 2 99 DCC . 1 1 18 18 ILE H H 1 . . 1 1 17 17 GLU C C 13 . 4.398 . . 0.3 . . . . 19 ILE H . 18 GLU C 16635 2 100 DCC . 1 1 20 20 HIS H H 1 . . 1 1 19 19 ALA C C 13 . -9.233 . . 0.3 . . . . 21 HIS H . 20 ALA C 16635 2 101 DCC . 1 1 24 24 GLU H H 1 . . 1 1 23 23 PHE C C 13 . -4.302 . . 0.3 . . . . 25 GLU H . 24 PHE C 16635 2 102 DCC . 1 1 25 25 GLU H H 1 . . 1 1 24 24 GLU C C 13 . 12.117 . . 0.3 . . . . 26 GLU H . 25 GLU C 16635 2 103 DCC . 1 1 26 26 HIS H H 1 . . 1 1 25 25 GLU C C 13 . -9.621 . . 0.3 . . . . 27 HIS H . 26 GLU C 16635 2 104 DCC . 1 1 28 28 LYS H H 1 . . 1 1 27 27 LYS C C 13 . 8.954 . . 0.3 . . . . 29 LYS H . 28 LYS C 16635 2 105 DCC . 1 1 30 30 VAL H H 1 . . 1 1 29 29 PRO C C 13 . -7.422 . . 0.3 . . . . 31 VAL H . 30 PRO C 16635 2 106 DCC . 1 1 32 32 PHE H H 1 . . 1 1 31 31 PRO C C 13 . -6.014 . . 0.3 . . . . 33 PHE H . 32 PRO C 16635 2 107 DCC . 1 1 33 33 GLN H H 1 . . 1 1 32 32 PHE C C 13 . -7.515 . . 0.3 . . . . 34 GLN H . 33 PHE C 16635 2 108 DCC . 1 1 34 34 GLU H H 1 . . 1 1 33 33 GLN C C 13 . 16.162 . . 0.3 . . . . 35 GLU H . 34 GLN C 16635 2 109 DCC . 1 1 35 35 LEU H H 1 . . 1 1 34 34 GLU C C 13 . 8.830 . . 0.3 . . . . 36 LEU H . 35 GLU C 16635 2 110 DCC . 1 1 36 36 LEU H H 1 . . 1 1 35 35 LEU C C 13 . -5.269 . . 0.3 . . . . 37 LEU H . 36 LEU C 16635 2 111 DCC . 1 1 38 38 GLU H H 1 . . 1 1 37 37 ASN C C 13 . 18.938 . . 0.3 . . . . 39 GLU H . 38 ASN C 16635 2 112 DCC . 1 1 41 41 SER H H 1 . . 1 1 40 40 ALA C C 13 . 5.601 . . 0.3 . . . . 42 SER H . 41 ALA C 16635 2 113 DCC . 1 1 42 42 LEU H H 1 . . 1 1 41 41 SER C C 13 . 13.479 . . 0.3 . . . . 43 LEU H . 42 SER C 16635 2 114 DCC . 1 1 44 44 GLY H H 1 . . 1 1 43 43 LEU C C 13 . -4.144 . . 0.3 . . . . 45 GLY H . 44 LEU C 16635 2 115 DCC . 1 1 47 47 LYS H H 1 . . 1 1 46 46 LYS C C 13 . 3.393 . . 0.3 . . . . 48 LYS H . 47 LYS C 16635 2 116 DCC . 1 1 48 48 GLU H H 1 . . 1 1 47 47 LYS C C 13 . 1.706 . . 0.3 . . . . 49 GLU H . 48 LYS C 16635 2 117 DCC . 1 1 49 49 GLU H H 1 . . 1 1 48 48 GLU C C 13 . -7.338 . . 0.3 . . . . 50 GLU H . 49 GLU C 16635 2 118 DCC . 1 1 52 52 ASP H H 1 . . 1 1 51 51 GLY C C 13 . 0.651 . . 0.3 . . . . 53 ASP H . 52 GLY C 16635 2 119 DCC . 1 1 53 53 ARG H H 1 . . 1 1 52 52 ASP C C 13 . -1.830 . . 0.3 . . . . 54 ARG H . 53 ASP C 16635 2 120 DCC . 1 1 54 54 ILE H H 1 . . 1 1 53 53 ARG C C 13 . -2.013 . . 0.3 . . . . 55 ILE H . 54 ARG C 16635 2 121 DCC . 1 1 57 57 PHE H H 1 . . 1 1 56 56 GLN C C 13 . 3.309 . . 0.3 . . . . 58 PHE H . 57 GLN C 16635 2 122 DCC . 1 1 58 58 TYR H H 1 . . 1 1 57 57 PHE C C 13 . -3.232 . . 0.3 . . . . 59 TYR H . 58 PHE C 16635 2 123 DCC . 1 1 66 66 ARG H H 1 . . 1 1 65 65 GLY C C 13 . 17.058 . . 0.3 . . . . 67 ARG H . 66 GLY C 16635 2 124 DCC . 1 1 69 69 ALA H H 1 . . 1 1 68 68 LEU C C 13 . -7.316 . . 0.3 . . . . 70 ALA H . 69 LEU C 16635 2 125 DCC . 1 1 70 70 LEU H H 1 . . 1 1 69 69 ALA C C 13 . -1.895 . . 0.3 . . . . 71 LEU H . 70 ALA C 16635 2 126 DCC . 1 1 76 76 GLY H H 1 . . 1 1 75 75 TRP C C 13 . 0.813 . . 0.3 . . . . 77 GLY H . 76 TRP C 16635 2 127 DCC . 1 1 77 77 LEU H H 1 . . 1 1 76 76 GLY C C 13 . -7.093 . . 0.3 . . . . 78 LEU H . 77 GLY C 16635 2 128 DCC . 1 1 79 79 SER H H 1 . . 1 1 78 78 ARG C C 13 . 9.736 . . 0.3 . . . . 80 SER H . 79 ARG C 16635 2 129 DCC . 1 1 86 86 LEU H H 1 . . 1 1 85 85 GLN C C 13 . -4.457 . . 0.3 . . . . 87 LEU H . 86 GLN C 16635 2 130 DCC . 1 1 87 87 ASP H H 1 . . 1 1 86 86 LEU C C 13 . -1.027 . . 0.3 . . . . 88 ASP H . 87 LEU C 16635 2 131 DCC . 1 1 1 1 GLY CA C 13 . . 1 1 1 1 GLY C C 13 . 14.393 . . 0.3 . . . . 2 GLY CA . 2 GLY C 16635 2 132 DCC . 1 1 4 4 GLN CA C 13 . . 1 1 4 4 GLN C C 13 . 3.966 . . 0.3 . . . . 5 GLN CA . 5 GLN C 16635 2 133 DCC . 1 1 7 7 GLN CA C 13 . . 1 1 7 7 GLN C C 13 . -12.715 . . 0.3 . . . . 8 GLN CA . 8 GLN C 16635 2 134 DCC . 1 1 11 11 LYS CA C 13 . . 1 1 11 11 LYS C C 13 . -13.325 . . 0.3 . . . . 12 LYS CA . 12 LYS C 16635 2 135 DCC . 1 1 13 13 MET CA C 13 . . 1 1 13 13 MET C C 13 . -7.363 . . 0.3 . . . . 14 MET CA . 14 MET C 16635 2 136 DCC . 1 1 14 14 ALA CA C 13 . . 1 1 14 14 ALA C C 13 . -11.450 . . 0.3 . . . . 15 ALA CA . 15 ALA C 16635 2 137 DCC . 1 1 16 16 VAL CA C 13 . . 1 1 16 16 VAL C C 13 . -9.112 . . 0.3 . . . . 17 VAL CA . 17 VAL C 16635 2 138 DCC . 1 1 18 18 ILE CA C 13 . . 1 1 18 18 ILE C C 13 . 8.996 . . 0.3 . . . . 19 ILE CA . 19 ILE C 16635 2 139 DCC . 1 1 19 19 ALA CA C 13 . . 1 1 19 19 ALA C C 13 . 9.737 . . 0.3 . . . . 20 ALA CA . 20 ALA C 16635 2 140 DCC . 1 1 25 25 GLU CA C 13 . . 1 1 25 25 GLU C C 13 . -6.128 . . 0.3 . . . . 26 GLU CA . 26 GLU C 16635 2 141 DCC . 1 1 27 27 LYS CA C 13 . . 1 1 27 27 LYS C C 13 . -3.639 . . 0.3 . . . . 28 LYS CA . 28 LYS C 16635 2 142 DCC . 1 1 31 31 PRO CA C 13 . . 1 1 31 31 PRO C C 13 . 6.955 . . 0.3 . . . . 32 PRO CA . 32 PRO C 16635 2 143 DCC . 1 1 33 33 GLN CA C 13 . . 1 1 33 33 GLN C C 13 . -8.663 . . 0.3 . . . . 34 GLN CA . 34 GLN C 16635 2 144 DCC . 1 1 37 37 ASN CA C 13 . . 1 1 37 37 ASN C C 13 . -10.523 . . 0.3 . . . . 38 ASN CA . 38 ASN C 16635 2 145 DCC . 1 1 38 38 GLU CA C 13 . . 1 1 38 38 GLU C C 13 . -4.984 . . 0.3 . . . . 39 GLU CA . 39 GLU C 16635 2 146 DCC . 1 1 44 44 GLY CA C 13 . . 1 1 44 44 GLY C C 13 . -8.517 . . 0.3 . . . . 45 GLY CA . 45 GLY C 16635 2 147 DCC . 1 1 47 47 LYS CA C 13 . . 1 1 47 47 LYS C C 13 . -10.009 . . 0.3 . . . . 48 LYS CA . 48 LYS C 16635 2 148 DCC . 1 1 50 50 LEU CA C 13 . . 1 1 50 50 LEU C C 13 . -11.934 . . 0.3 . . . . 51 LEU CA . 51 LEU C 16635 2 149 DCC . 1 1 51 51 GLY CA C 13 . . 1 1 51 51 GLY C C 13 . 3.830 . . 0.3 . . . . 52 GLY CA . 52 GLY C 16635 2 150 DCC . 1 1 52 52 ASP CA C 13 . . 1 1 52 52 ASP C C 13 . 5.478 . . 0.3 . . . . 53 ASP CA . 53 ASP C 16635 2 151 DCC . 1 1 54 54 ILE CA C 13 . . 1 1 54 54 ILE C C 13 . 9.051 . . 0.3 . . . . 55 ILE CA . 55 ILE C 16635 2 152 DCC . 1 1 58 58 TYR CA C 13 . . 1 1 58 58 TYR C C 13 . -0.963 . . 0.3 . . . . 59 TYR CA . 59 TYR C 16635 2 153 DCC . 1 1 70 70 LEU CA C 13 . . 1 1 70 70 LEU C C 13 . -5.287 . . 0.3 . . . . 71 LEU CA . 71 LEU C 16635 2 154 DCC . 1 1 71 71 SER CA C 13 . . 1 1 71 71 SER C C 13 . 1.371 . . 0.3 . . . . 72 SER CA . 72 SER C 16635 2 155 DCC . 1 1 73 73 GLN CA C 13 . . 1 1 73 73 GLN C C 13 . -5.271 . . 0.3 . . . . 74 GLN CA . 74 GLN C 16635 2 156 DCC . 1 1 82 82 PRO CA C 13 . . 1 1 82 82 PRO C C 13 . 1.169 . . 0.3 . . . . 83 PRO CA . 83 PRO C 16635 2 157 DCC . 1 1 84 84 ASP CA C 13 . . 1 1 84 84 ASP C C 13 . -1.965 . . 0.3 . . . . 85 ASP CA . 85 ASP C 16635 2 158 DCC . 1 1 87 87 ASP CA C 13 . . 1 1 87 87 ASP C C 13 . -0.086 . . 0.3 . . . . 88 ASP CA . 88 ASP C 16635 2 159 DCC . 1 1 88 88 GLU CA C 13 . . 1 1 88 88 GLU C C 13 . 2.676 . . 0.3 . . . . 89 GLU CA . 89 GLU C 16635 2 160 DCC . 1 1 93 93 GLU CA C 13 . . 1 1 93 93 GLU C C 13 . 0.338 . . 0.3 . . . . 94 GLU CA . 94 GLU C 16635 2 161 DCH . 1 1 2 2 ILE CA C 13 . . 1 1 2 2 ILE HA H 1 . -8.967 . . 2.5 . . . . 3 ILE CA . 3 ILE HA 16635 2 162 DCH . 1 1 14 14 ALA CA C 13 . . 1 1 14 14 ALA HA H 1 . 4.484 . . 2.5 . . . . 15 ALA CA . 15 ALA HA 16635 2 163 DCH . 1 1 15 15 LEU CA C 13 . . 1 1 15 15 LEU HA H 1 . -5.680 . . 2.5 . . . . 16 LEU CA . 16 LEU HA 16635 2 164 DCH . 1 1 16 16 VAL CA C 13 . . 1 1 16 16 VAL HA H 1 . -6.875 . . 2.5 . . . . 17 VAL CA . 17 VAL HA 16635 2 165 DCH . 1 1 29 29 PRO CA C 13 . . 1 1 29 29 PRO HA H 1 . -11.957 . . 2.5 . . . . 30 PRO CA . 30 PRO HA 16635 2 166 DCH . 1 1 30 30 VAL CA C 13 . . 1 1 30 30 VAL HA H 1 . -11.957 . . 2.5 . . . . 31 VAL CA . 31 VAL HA 16635 2 167 DCH . 1 1 31 31 PRO CA C 13 . . 1 1 31 31 PRO HA H 1 . 6.577 . . 2.5 . . . . 32 PRO CA . 32 PRO HA 16635 2 168 DCH . 1 1 36 36 LEU CA C 13 . . 1 1 36 36 LEU HA H 1 . -13.153 . . 2.5 . . . . 37 LEU CA . 37 LEU HA 16635 2 169 DCH . 1 1 39 39 ILE CA C 13 . . 1 1 39 39 ILE HA H 1 . -8.370 . . 2.5 . . . . 40 ILE CA . 40 ILE HA 16635 2 170 DCH . 1 1 41 41 SER CA C 13 . . 1 1 41 41 SER HA H 1 . 17.337 . . 2.5 . . . . 42 SER CA . 42 SER HA 16635 2 171 DCH . 1 1 47 47 LYS CA C 13 . . 1 1 47 47 LYS HA H 1 . -5.680 . . 2.5 . . . . 48 LYS CA . 48 LYS HA 16635 2 172 DCH . 1 1 61 61 LEU CA C 13 . . 1 1 61 61 LEU HA H 1 . -10.462 . . 2.5 . . . . 62 LEU CA . 62 LEU HA 16635 2 173 DCH . 1 1 67 67 PHE CA C 13 . . 1 1 67 67 PHE HA H 1 . -8.370 . . 2.5 . . . . 68 PHE CA . 68 PHE HA 16635 2 174 DCH . 1 1 69 69 ALA CA C 13 . . 1 1 69 69 ALA HA H 1 . -2.691 . . 2.5 . . . . 70 ALA CA . 70 ALA HA 16635 2 175 DCH . 1 1 75 75 TRP CA C 13 . . 1 1 75 75 TRP HA H 1 . 3.587 . . 2.5 . . . . 76 TRP CA . 76 TRP HA 16635 2 176 DCH . 1 1 82 82 PRO CA C 13 . . 1 1 82 82 PRO HA H 1 . -6.278 . . 2.5 . . . . 83 PRO CA . 83 PRO HA 16635 2 177 DCH . 1 1 90 90 THR CA C 13 . . 1 1 90 90 THR HA H 1 . -2.092 . . 2.5 . . . . 91 THR CA . 91 THR HA 16635 2 stop_ save_