################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 18161 _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 599.520 _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 'Alignment media: Peg or Phage, Magnitude -6.349, Rhombicity 0.295, ORI residue number 120' _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 9 '2D 1H-15N HSQC' . . . 18161 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 5 5 LEU H H 1 . . 1 1 5 5 LEU N N 15 . -12.050 . . 2.500 . . . . 5 LEU H . 5 LEU N 18161 1 2 DNH . 1 1 6 6 LEU H H 1 . . 1 1 6 6 LEU N N 15 . -13.467 . . 2.500 . . . . 6 LEU H . 6 LEU N 18161 1 3 DNH . 1 1 7 7 VAL H H 1 . . 1 1 7 7 VAL N N 15 . -8.598 . . 2.500 . . . . 7 VAL H . 7 VAL N 18161 1 4 DNH . 1 1 8 8 ILE H H 1 . . 1 1 8 8 ILE N N 15 . -9.399 . . 2.500 . . . . 8 ILE H . 8 ILE N 18161 1 5 DNH . 1 1 14 14 ILE H H 1 . . 1 1 14 14 ILE N N 15 . -0.514 . . 2.500 . . . . 14 ILE H . 14 ILE N 18161 1 6 DNH . 1 1 15 15 ILE H H 1 . . 1 1 15 15 ILE N N 15 . 2.321 . . 2.500 . . . . 15 ILE H . 15 ILE N 18161 1 7 DNH . 1 1 17 17 SER H H 1 . . 1 1 17 17 SER N N 15 . 0.150 . . 2.500 . . . . 17 SER H . 17 SER N 18161 1 8 DNH . 1 1 18 18 VAL H H 1 . . 1 1 18 18 VAL N N 15 . 1.997 . . 2.500 . . . . 18 VAL H . 18 VAL N 18161 1 9 DNH . 1 1 19 19 GLN H H 1 . . 1 1 19 19 GLN N N 15 . 2.493 . . 2.500 . . . . 19 GLN H . 19 GLN N 18161 1 10 DNH . 1 1 21 21 ARG H H 1 . . 1 1 21 21 ARG N N 15 . -1.500 . . 2.500 . . . . 21 ARG H . 21 ARG N 18161 1 11 DNH . 1 1 22 22 ALA H H 1 . . 1 1 22 22 ALA N N 15 . 3.426 . . 2.500 . . . . 22 ALA H . 22 ALA N 18161 1 12 DNH . 1 1 23 23 LYS H H 1 . . 1 1 23 23 LYS N N 15 . 4.886 . . 2.500 . . . . 23 LYS H . 23 LYS N 18161 1 13 DNH . 1 1 24 24 HIS H H 1 . . 1 1 24 24 HIS N N 15 . -0.191 . . 2.500 . . . . 24 HIS H . 24 HIS N 18161 1 14 DNH . 1 1 31 31 ILE H H 1 . . 1 1 31 31 ILE N N 15 . -5.906 . . 2.500 . . . . 31 ILE H . 31 ILE N 18161 1 15 DNH . 1 1 32 32 ARG H H 1 . . 1 1 32 32 ARG N N 15 . -12.238 . . 2.500 . . . . 32 ARG H . 32 ARG N 18161 1 16 DNH . 1 1 33 33 THR H H 1 . . 1 1 33 33 THR N N 15 . -8.992 . . 2.500 . . . . 33 THR H . 33 THR N 18161 1 17 DNH . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA N N 15 . -0.090 . . 2.500 . . . . 34 ALA H . 34 ALA N 18161 1 18 DNH . 1 1 37 37 SER H H 1 . . 1 1 37 37 SER N N 15 . -3.147 . . 2.500 . . . . 37 SER H . 37 SER N 18161 1 19 DNH . 1 1 39 39 ASP H H 1 . . 1 1 39 39 ASP N N 15 . 4.442 . . 2.500 . . . . 39 ASP H . 39 ASP N 18161 1 20 DNH . 1 1 40 40 ILE H H 1 . . 1 1 40 40 ILE N N 15 . 2.376 . . 2.500 . . . . 40 ILE H . 40 ILE N 18161 1 21 DNH . 1 1 42 42 ASP H H 1 . . 1 1 42 42 ASP N N 15 . 2.225 . . 2.500 . . . . 42 ASP H . 42 ASP N 18161 1 22 DNH . 1 1 43 43 ILE H H 1 . . 1 1 43 43 ILE N N 15 . 3.488 . . 2.500 . . . . 43 ILE H . 43 ILE N 18161 1 23 DNH . 1 1 46 46 SER H H 1 . . 1 1 46 46 SER N N 15 . 3.998 . . 2.500 . . . . 46 SER H . 46 SER N 18161 1 24 DNH . 1 1 48 48 LYS H H 1 . . 1 1 48 48 LYS N N 15 . -4.901 . . 2.500 . . . . 48 LYS H . 48 LYS N 18161 1 25 DNH . 1 1 52 52 LYS H H 1 . . 1 1 52 52 LYS N N 15 . -0.144 . . 2.500 . . . . 52 LYS H . 52 LYS N 18161 1 26 DNH . 1 1 54 54 LEU H H 1 . . 1 1 54 54 LEU N N 15 . -6.589 . . 2.500 . . . . 54 LEU H . 54 LEU N 18161 1 27 DNH . 1 1 55 55 VAL H H 1 . . 1 1 55 55 VAL N N 15 . -10.459 . . 2.500 . . . . 55 VAL H . 55 VAL N 18161 1 28 DNH . 1 1 56 56 VAL H H 1 . . 1 1 56 56 VAL N N 15 . -12.906 . . 2.500 . . . . 56 VAL H . 56 VAL N 18161 1 29 DNH . 1 1 57 57 PHE H H 1 . . 1 1 57 57 PHE N N 15 . -10.037 . . 2.500 . . . . 57 PHE H . 57 PHE N 18161 1 30 DNH . 1 1 58 58 VAL H H 1 . . 1 1 58 58 VAL N N 15 . -5.538 . . 2.500 . . . . 58 VAL H . 58 VAL N 18161 1 31 DNH . 1 1 59 59 ASN H H 1 . . 1 1 59 59 ASN N N 15 . 2.629 . . 2.500 . . . . 59 ASN H . 59 ASN N 18161 1 32 DNH . 1 1 60 60 GLY H H 1 . . 1 1 60 60 GLY N N 15 . -0.932 . . 2.500 . . . . 60 GLY H . 60 GLY N 18161 1 33 DNH . 1 1 61 61 ALA H H 1 . . 1 1 61 61 ALA N N 15 . 1.095 . . 2.500 . . . . 61 ALA H . 61 ALA N 18161 1 34 DNH . 1 1 62 62 SER H H 1 . . 1 1 62 62 SER N N 15 . 3.080 . . 2.500 . . . . 62 SER H . 62 SER N 18161 1 35 DNH . 1 1 65 65 ASP H H 1 . . 1 1 65 65 ASP N N 15 . 5.850 . . 2.500 . . . . 65 ASP H . 65 ASP N 18161 1 36 DNH . 1 1 67 67 ASN H H 1 . . 1 1 67 67 ASN N N 15 . 2.565 . . 2.500 . . . . 67 ASN H . 67 ASN N 18161 1 37 DNH . 1 1 69 69 PHE H H 1 . . 1 1 69 69 PHE N N 15 . 5.433 . . 2.500 . . . . 69 PHE H . 69 PHE N 18161 1 38 DNH . 1 1 71 71 ASN H H 1 . . 1 1 71 71 ASN N N 15 . 0.274 . . 2.500 . . . . 71 ASN H . 71 ASN N 18161 1 39 DNH . 1 1 73 73 ALA H H 1 . . 1 1 73 73 ALA N N 15 . 6.888 . . 2.500 . . . . 73 ALA H . 73 ALA N 18161 1 40 DNH . 1 1 74 74 LYS H H 1 . . 1 1 74 74 LYS N N 15 . 3.395 . . 2.500 . . . . 74 LYS H . 74 LYS N 18161 1 41 DNH . 1 1 76 76 GLU H H 1 . . 1 1 76 76 GLU N N 15 . 4.789 . . 2.500 . . . . 76 GLU H . 76 GLU N 18161 1 42 DNH . 1 1 77 77 GLY H H 1 . . 1 1 77 77 GLY N N 15 . 0.431 . . 2.500 . . . . 77 GLY H . 77 GLY N 18161 1 43 DNH . 1 1 79 79 SER H H 1 . . 1 1 79 79 SER N N 15 . -0.044 . . 2.500 . . . . 79 SER H . 79 SER N 18161 1 44 DNH . 1 1 81 81 ASP H H 1 . . 1 1 81 81 ASP N N 15 . -10.473 . . 2.500 . . . . 81 ASP H . 81 ASP N 18161 1 45 DNH . 1 1 83 83 LEU H H 1 . . 1 1 83 83 LEU N N 15 . -8.690 . . 2.500 . . . . 83 LEU H . 83 LEU N 18161 1 46 DNH . 1 1 84 84 LYS H H 1 . . 1 1 84 84 LYS N N 15 . -11.393 . . 2.500 . . . . 84 LYS H . 84 LYS N 18161 1 47 DNH . 1 1 85 85 SER H H 1 . . 1 1 85 85 SER N N 15 . -7.824 . . 2.500 . . . . 85 SER H . 85 SER N 18161 1 48 DNH . 1 1 86 86 THR H H 1 . . 1 1 86 86 THR N N 15 . -11.491 . . 2.500 . . . . 86 THR H . 86 THR N 18161 1 49 DNH . 1 1 87 87 ASP H H 1 . . 1 1 87 87 ASP N N 15 . 1.394 . . 2.500 . . . . 87 ASP H . 87 ASP N 18161 1 50 DNH . 1 1 89 89 GLU H H 1 . . 1 1 89 89 GLU N N 15 . 2.064 . . 2.500 . . . . 89 GLU H . 89 GLU N 18161 1 51 DNH . 1 1 90 90 GLU H H 1 . . 1 1 90 90 GLU N N 15 . 4.424 . . 2.500 . . . . 90 GLU H . 90 GLU N 18161 1 52 DNH . 1 1 91 91 LEU H H 1 . . 1 1 91 91 LEU N N 15 . 4.752 . . 2.500 . . . . 91 LEU H . 91 LEU N 18161 1 53 DNH . 1 1 92 92 THR H H 1 . . 1 1 92 92 THR N N 15 . 8.368 . . 2.500 . . . . 92 THR H . 92 THR N 18161 1 54 DNH . 1 1 94 94 ARG H H 1 . . 1 1 94 94 ARG N N 15 . 1.637 . . 2.500 . . . . 94 ARG H . 94 ARG N 18161 1 55 DNH . 1 1 97 97 GLU H H 1 . . 1 1 97 97 GLU N N 15 . 2.884 . . 2.500 . . . . 97 GLU H . 97 GLU N 18161 1 56 DNH . 1 1 98 98 PHE H H 1 . . 1 1 98 98 PHE N N 15 . 4.396 . . 2.500 . . . . 98 PHE H . 98 PHE N 18161 1 57 DNH . 1 1 99 99 LEU H H 1 . . 1 1 99 99 LEU N N 15 . 6.915 . . 2.500 . . . . 99 LEU H . 99 LEU N 18161 1 58 DNH . 1 1 100 100 LYS H H 1 . . 1 1 100 100 LYS N N 15 . 2.330 . . 2.500 . . . . 100 LYS H . 100 LYS N 18161 1 59 DNH . 1 1 101 101 THR H H 1 . . 1 1 101 101 THR N N 15 . 3.420 . . 2.500 . . . . 101 THR H . 101 THR N 18161 1 60 DNH . 1 1 102 102 ALA H H 1 . . 1 1 102 102 ALA N N 15 . 4.577 . . 2.500 . . . . 102 ALA H . 102 ALA N 18161 1 61 DNH . 1 1 103 103 GLY H H 1 . . 1 1 103 103 GLY N N 15 . 3.288 . . 2.500 . . . . 103 GLY H . 103 GLY N 18161 1 62 DNH . 1 1 105 105 LEU H H 1 . . 1 1 105 105 LEU N N 15 . -0.777 . . 2.500 . . . . 105 LEU H . 105 LEU N 18161 1 63 DNH . 1 1 106 106 GLU H H 1 . . 1 1 106 106 GLU N N 15 . 0.452 . . 2.500 . . . . 106 GLU H . 106 GLU N 18161 1 64 DNH . 1 1 107 107 HIS H H 1 . . 1 1 107 107 HIS N N 15 . -1.042 . . 2.500 . . . . 107 HIS H . 107 HIS N 18161 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 18161 _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 599.520 _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 'Alignment media: Peg or Phage, Magnitude -14.027, Rhombicity 0.481, ORI residue number 127' _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 9 '2D 1H-15N HSQC' . . . 18161 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 5 5 LEU H H 1 . . 1 1 5 5 LEU N N 15 . -28.422 . . 5.000 . . . . 5 LEU H . 5 LEU N 18161 2 2 DNH . 1 1 6 6 LEU H H 1 . . 1 1 6 6 LEU N N 15 . -13.633 . . 5.000 . . . . 6 LEU H . 6 LEU N 18161 2 3 DNH . 1 1 8 8 ILE H H 1 . . 1 1 8 8 ILE N N 15 . -2.036 . . 5.000 . . . . 8 ILE H . 8 ILE N 18161 2 4 DNH . 1 1 9 9 SER H H 1 . . 1 1 9 9 SER N N 15 . 5.766 . . 5.000 . . . . 9 SER H . 9 SER N 18161 2 5 DNH . 1 1 11 11 ASP H H 1 . . 1 1 11 11 ASP N N 15 . 8.085 . . 5.000 . . . . 11 ASP H . 11 ASP N 18161 2 6 DNH . 1 1 15 15 ILE H H 1 . . 1 1 15 15 ILE N N 15 . -11.876 . . 5.000 . . . . 15 ILE H . 15 ILE N 18161 2 7 DNH . 1 1 17 17 SER H H 1 . . 1 1 17 17 SER N N 15 . -16.258 . . 5.000 . . . . 17 SER H . 17 SER N 18161 2 8 DNH . 1 1 18 18 VAL H H 1 . . 1 1 18 18 VAL N N 15 . -16.781 . . 5.000 . . . . 18 VAL H . 18 VAL N 18161 2 9 DNH . 1 1 21 21 ARG H H 1 . . 1 1 21 21 ARG N N 15 . -19.320 . . 5.000 . . . . 21 ARG H . 21 ARG N 18161 2 10 DNH . 1 1 22 22 ALA H H 1 . . 1 1 22 22 ALA N N 15 . -11.244 . . 5.000 . . . . 22 ALA H . 22 ALA N 18161 2 11 DNH . 1 1 23 23 LYS H H 1 . . 1 1 23 23 LYS N N 15 . 2.276 . . 5.000 . . . . 23 LYS H . 23 LYS N 18161 2 12 DNH . 1 1 24 24 HIS H H 1 . . 1 1 24 24 HIS N N 15 . -6.226 . . 5.000 . . . . 24 HIS H . 24 HIS N 18161 2 13 DNH . 1 1 31 31 ILE H H 1 . . 1 1 31 31 ILE N N 15 . 6.014 . . 5.000 . . . . 31 ILE H . 31 ILE N 18161 2 14 DNH . 1 1 32 32 ARG H H 1 . . 1 1 32 32 ARG N N 15 . -14.368 . . 5.000 . . . . 32 ARG H . 32 ARG N 18161 2 15 DNH . 1 1 33 33 THR H H 1 . . 1 1 33 33 THR N N 15 . -8.575 . . 5.000 . . . . 33 THR H . 33 THR N 18161 2 16 DNH . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA N N 15 . 9.285 . . 5.000 . . . . 34 ALA H . 34 ALA N 18161 2 17 DNH . 1 1 37 37 SER H H 1 . . 1 1 37 37 SER N N 15 . -1.313 . . 5.000 . . . . 37 SER H . 37 SER N 18161 2 18 DNH . 1 1 39 39 ASP H H 1 . . 1 1 39 39 ASP N N 15 . 13.459 . . 5.000 . . . . 39 ASP H . 39 ASP N 18161 2 19 DNH . 1 1 40 40 ILE H H 1 . . 1 1 40 40 ILE N N 15 . 1.981 . . 5.000 . . . . 40 ILE H . 40 ILE N 18161 2 20 DNH . 1 1 43 43 ILE H H 1 . . 1 1 43 43 ILE N N 15 . 0.977 . . 5.000 . . . . 43 ILE H . 43 ILE N 18161 2 21 DNH . 1 1 46 46 SER H H 1 . . 1 1 46 46 SER N N 15 . 17.298 . . 5.000 . . . . 46 SER H . 46 SER N 18161 2 22 DNH . 1 1 47 47 MET H H 1 . . 1 1 47 47 MET N N 15 . -3.113 . . 5.000 . . . . 47 MET H . 47 MET N 18161 2 23 DNH . 1 1 55 55 VAL H H 1 . . 1 1 55 55 VAL N N 15 . -3.793 . . 5.000 . . . . 55 VAL H . 55 VAL N 18161 2 24 DNH . 1 1 56 56 VAL H H 1 . . 1 1 56 56 VAL N N 15 . -12.729 . . 5.000 . . . . 56 VAL H . 56 VAL N 18161 2 25 DNH . 1 1 57 57 PHE H H 1 . . 1 1 57 57 PHE N N 15 . -17.092 . . 5.000 . . . . 57 PHE H . 57 PHE N 18161 2 26 DNH . 1 1 59 59 ASN H H 1 . . 1 1 59 59 ASN N N 15 . 13.481 . . 5.000 . . . . 59 ASN H . 59 ASN N 18161 2 27 DNH . 1 1 60 60 GLY H H 1 . . 1 1 60 60 GLY N N 15 . -3.079 . . 5.000 . . . . 60 GLY H . 60 GLY N 18161 2 28 DNH . 1 1 61 61 ALA H H 1 . . 1 1 61 61 ALA N N 15 . -10.987 . . 5.000 . . . . 61 ALA H . 61 ALA N 18161 2 29 DNH . 1 1 62 62 SER H H 1 . . 1 1 62 62 SER N N 15 . 9.439 . . 5.000 . . . . 62 SER H . 62 SER N 18161 2 30 DNH . 1 1 65 65 ASP H H 1 . . 1 1 65 65 ASP N N 15 . 24.086 . . 5.000 . . . . 65 ASP H . 65 ASP N 18161 2 31 DNH . 1 1 66 66 VAL H H 1 . . 1 1 66 66 VAL N N 15 . 13.186 . . 5.000 . . . . 66 VAL H . 66 VAL N 18161 2 32 DNH . 1 1 67 67 ASN H H 1 . . 1 1 67 67 ASN N N 15 . 9.317 . . 5.000 . . . . 67 ASN H . 67 ASN N 18161 2 33 DNH . 1 1 70 70 GLN H H 1 . . 1 1 70 70 GLN N N 15 . 18.693 . . 5.000 . . . . 70 GLN H . 70 GLN N 18161 2 34 DNH . 1 1 71 71 ASN H H 1 . . 1 1 71 71 ASN N N 15 . 14.410 . . 5.000 . . . . 71 ASN H . 71 ASN N 18161 2 35 DNH . 1 1 72 72 GLU H H 1 . . 1 1 72 72 GLU N N 15 . 9.624 . . 5.000 . . . . 72 GLU H . 72 GLU N 18161 2 36 DNH . 1 1 73 73 ALA H H 1 . . 1 1 73 73 ALA N N 15 . 20.634 . . 5.000 . . . . 73 ALA H . 73 ALA N 18161 2 37 DNH . 1 1 74 74 LYS H H 1 . . 1 1 74 74 LYS N N 15 . 14.040 . . 5.000 . . . . 74 LYS H . 74 LYS N 18161 2 38 DNH . 1 1 75 75 LYS H H 1 . . 1 1 75 75 LYS N N 15 . 8.565 . . 5.000 . . . . 75 LYS H . 75 LYS N 18161 2 39 DNH . 1 1 77 77 GLY H H 1 . . 1 1 77 77 GLY N N 15 . -13.012 . . 5.000 . . . . 77 GLY H . 77 GLY N 18161 2 40 DNH . 1 1 79 79 SER H H 1 . . 1 1 79 79 SER N N 15 . -14.861 . . 5.000 . . . . 79 SER H . 79 SER N 18161 2 41 DNH . 1 1 81 81 ASP H H 1 . . 1 1 81 81 ASP N N 15 . -23.081 . . 5.000 . . . . 81 ASP H . 81 ASP N 18161 2 42 DNH . 1 1 83 83 LEU H H 1 . . 1 1 83 83 LEU N N 15 . -3.796 . . 5.000 . . . . 83 LEU H . 83 LEU N 18161 2 43 DNH . 1 1 84 84 LYS H H 1 . . 1 1 84 84 LYS N N 15 . -3.883 . . 5.000 . . . . 84 LYS H . 84 LYS N 18161 2 44 DNH . 1 1 85 85 SER H H 1 . . 1 1 85 85 SER N N 15 . -1.250 . . 5.000 . . . . 85 SER H . 85 SER N 18161 2 45 DNH . 1 1 86 86 THR H H 1 . . 1 1 86 86 THR N N 15 . -8.297 . . 5.000 . . . . 86 THR H . 86 THR N 18161 2 46 DNH . 1 1 87 87 ASP H H 1 . . 1 1 87 87 ASP N N 15 . 12.067 . . 5.000 . . . . 87 ASP H . 87 ASP N 18161 2 47 DNH . 1 1 89 89 GLU H H 1 . . 1 1 89 89 GLU N N 15 . -3.852 . . 5.000 . . . . 89 GLU H . 89 GLU N 18161 2 48 DNH . 1 1 90 90 GLU H H 1 . . 1 1 90 90 GLU N N 15 . 7.477 . . 5.000 . . . . 90 GLU H . 90 GLU N 18161 2 49 DNH . 1 1 91 91 LEU H H 1 . . 1 1 91 91 LEU N N 15 . 21.593 . . 5.000 . . . . 91 LEU H . 91 LEU N 18161 2 50 DNH . 1 1 92 92 THR H H 1 . . 1 1 92 92 THR N N 15 . 22.178 . . 5.000 . . . . 92 THR H . 92 THR N 18161 2 51 DNH . 1 1 94 94 ARG H H 1 . . 1 1 94 94 ARG N N 15 . 11.407 . . 5.000 . . . . 94 ARG H . 94 ARG N 18161 2 52 DNH . 1 1 97 97 GLU H H 1 . . 1 1 97 97 GLU N N 15 . 8.880 . . 5.000 . . . . 97 GLU H . 97 GLU N 18161 2 53 DNH . 1 1 98 98 PHE H H 1 . . 1 1 98 98 PHE N N 15 . 9.317 . . 5.000 . . . . 98 PHE H . 98 PHE N 18161 2 54 DNH . 1 1 100 100 LYS H H 1 . . 1 1 100 100 LYS N N 15 . 3.626 . . 5.000 . . . . 100 LYS H . 100 LYS N 18161 2 55 DNH . 1 1 101 101 THR H H 1 . . 1 1 101 101 THR N N 15 . -0.191 . . 5.000 . . . . 101 THR H . 101 THR N 18161 2 56 DNH . 1 1 102 102 ALA H H 1 . . 1 1 102 102 ALA N N 15 . 16.167 . . 5.000 . . . . 102 ALA H . 102 ALA N 18161 2 57 DNH . 1 1 103 103 GLY H H 1 . . 1 1 103 103 GLY N N 15 . 8.262 . . 5.000 . . . . 103 GLY H . 103 GLY N 18161 2 58 DNH . 1 1 105 105 LEU H H 1 . . 1 1 105 105 LEU N N 15 . -1.939 . . 5.000 . . . . 105 LEU H . 105 LEU N 18161 2 59 DNH . 1 1 107 107 HIS H H 1 . . 1 1 107 107 HIS N N 15 . -1.560 . . 5.000 . . . . 107 HIS H . 107 HIS N 18161 2 stop_ save_