################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15521 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N SQC-TOCSY' . . . 15521 1 2 '2D 1H-15N SQC-NOESY' . . . 15521 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Felix . . 15521 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG H H 1 8.85 0.01 . 1 . . . . 1 ARG H . 15521 1 2 . 1 1 2 2 ARG HE H 1 7.23 0.01 . 1 . . . . 1 ARG HE . 15521 1 3 . 1 1 2 2 ARG N N 15 126.10 0.19 . 1 . . . . 1 ARG N . 15521 1 4 . 1 1 2 2 ARG NE N 15 85.80 0.19 . 1 . . . . 1 ARG NE . 15521 1 5 . 1 1 3 3 ARG H H 1 8.62 0.01 . 1 . . . . 2 ARG H . 15521 1 6 . 1 1 3 3 ARG HE H 1 7.23 0.01 . 1 . . . . 2 ARG HE . 15521 1 7 . 1 1 3 3 ARG N N 15 125.30 0.19 . 1 . . . . 2 ARG N . 15521 1 8 . 1 1 3 3 ARG NE N 15 85.80 0.19 . 1 . . . . 2 ARG NE . 15521 1 9 . 1 1 4 4 LYS H H 1 8.54 0.01 . 1 . . . . 3 LYS H . 15521 1 10 . 1 1 4 4 LYS N N 15 125.00 0.19 . 1 . . . . 3 LYS N . 15521 1 11 . 1 1 5 5 ARG H H 1 8.51 0.01 . 1 . . . . 4 ARG H . 15521 1 12 . 1 1 5 5 ARG HE H 1 7.23 0.01 . 1 . . . . 4 ARG HE . 15521 1 13 . 1 1 5 5 ARG N N 15 124.90 0.19 . 1 . . . . 4 ARG N . 15521 1 14 . 1 1 5 5 ARG NE N 15 85.80 0.19 . 1 . . . . 4 ARG NE . 15521 1 15 . 1 1 6 6 ARG H H 1 8.55 0.01 . 1 . . . . 5 ARG H . 15521 1 16 . 1 1 6 6 ARG HE H 1 7.21 0.01 . 1 . . . . 5 ARG HE . 15521 1 17 . 1 1 6 6 ARG N N 15 125.30 0.19 . 1 . . . . 5 ARG N . 15521 1 18 . 1 1 6 6 ARG NE N 15 85.80 0.19 . 1 . . . . 5 ARG NE . 15521 1 19 . 1 1 7 7 VAL H H 1 8.42 0.01 . 1 . . . . 6 VAL H . 15521 1 20 . 1 1 7 7 VAL N N 15 124.90 0.19 . 1 . . . . 6 VAL N . 15521 1 21 . 1 1 8 8 LEU H H 1 8.42 0.01 . 1 . . . . 7 LEU H . 15521 1 22 . 1 1 8 8 LEU N N 15 128.80 0.19 . 1 . . . . 7 LEU N . 15521 1 23 . 1 1 9 9 PHE H H 1 8.17 0.01 . 1 . . . . 8 PHE H . 15521 1 24 . 1 1 9 9 PHE N N 15 122.50 0.19 . 1 . . . . 8 PHE N . 15521 1 25 . 1 1 10 10 SER H H 1 9.41 0.01 . 1 . . . . 9 SER H . 15521 1 26 . 1 1 10 10 SER N N 15 120.60 0.19 . 1 . . . . 9 SER N . 15521 1 27 . 1 1 11 11 GLN H H 1 9.10 0.01 . 1 . . . . 10 GLN H . 15521 1 28 . 1 1 11 11 GLN HE21 H 1 7.58 0.01 . 2 . . . . 10 GLN HE21 . 15521 1 29 . 1 1 11 11 GLN HE22 H 1 7.03 0.01 . 2 . . . . 10 GLN HE22 . 15521 1 30 . 1 1 11 11 GLN N N 15 122.20 0.19 . 1 . . . . 10 GLN N . 15521 1 31 . 1 1 11 11 GLN NE2 N 15 112.90 0.19 . 1 . . . . 10 GLN NE . 15521 1 32 . 1 1 12 12 ALA H H 1 8.48 0.01 . 1 . . . . 11 ALA H . 15521 1 33 . 1 1 12 12 ALA N N 15 122.20 0.19 . 1 . . . . 11 ALA N . 15521 1 34 . 1 1 13 13 GLN H H 1 7.78 0.01 . 1 . . . . 12 GLN H . 15521 1 35 . 1 1 13 13 GLN HE21 H 1 7.82 0.01 . 2 . . . . 12 GLN HE21 . 15521 1 36 . 1 1 13 13 GLN HE22 H 1 6.62 0.01 . 2 . . . . 12 GLN HE22 . 15521 1 37 . 1 1 13 13 GLN N N 15 119.20 0.19 . 1 . . . . 12 GLN N . 15521 1 38 . 1 1 13 13 GLN NE2 N 15 112.10 0.19 . 1 . . . . 12 GLN NE . 15521 1 39 . 1 1 14 14 VAL H H 1 8.43 0.01 . 1 . . . . 13 VAL H . 15521 1 40 . 1 1 14 14 VAL N N 15 119.20 0.19 . 1 . . . . 13 VAL N . 15521 1 41 . 1 1 15 15 TYR H H 1 8.47 0.01 . 1 . . . . 14 TYR H . 15521 1 42 . 1 1 15 15 TYR N N 15 119.80 0.19 . 1 . . . . 14 TYR N . 15521 1 43 . 1 1 16 16 GLU H H 1 7.51 0.01 . 1 . . . . 15 GLU H . 15521 1 44 . 1 1 16 16 GLU N N 15 118.60 0.19 . 1 . . . . 15 GLU N . 15521 1 45 . 1 1 17 17 LEU H H 1 8.06 0.01 . 1 . . . . 16 LEU H . 15521 1 46 . 1 1 17 17 LEU N N 15 124.00 0.19 . 1 . . . . 16 LEU N . 15521 1 47 . 1 1 18 18 GLU H H 1 8.54 0.01 . 1 . . . . 17 GLU H . 15521 1 48 . 1 1 18 18 GLU N N 15 118.00 0.19 . 1 . . . . 17 GLU N . 15521 1 49 . 1 1 19 19 ARG H H 1 8.10 0.01 . 1 . . . . 18 ARG H . 15521 1 50 . 1 1 19 19 ARG HE H 1 7.48 0.01 . 1 . . . . 18 ARG HE . 15521 1 51 . 1 1 19 19 ARG N N 15 121.50 0.19 . 1 . . . . 18 ARG N . 15521 1 52 . 1 1 19 19 ARG NE N 15 84.90 0.19 . 1 . . . . 18 ARG NE . 15521 1 53 . 1 1 20 20 ARG H H 1 7.99 0.01 . 1 . . . . 19 ARG H . 15521 1 54 . 1 1 20 20 ARG HE H 1 7.72 0.01 . 1 . . . . 19 ARG HE . 15521 1 55 . 1 1 20 20 ARG N N 15 120.30 0.19 . 1 . . . . 19 ARG N . 15521 1 56 . 1 1 20 20 ARG NE N 15 85.30 0.19 . 1 . . . . 19 ARG NE . 15521 1 57 . 1 1 21 21 PHE H H 1 8.89 0.01 . 1 . . . . 20 PHE H . 15521 1 58 . 1 1 21 21 PHE N N 15 122.90 0.19 . 1 . . . . 20 PHE N . 15521 1 59 . 1 1 22 22 LYS H H 1 7.82 0.01 . 1 . . . . 21 LYS H . 15521 1 60 . 1 1 22 22 LYS N N 15 116.90 0.19 . 1 . . . . 21 LYS N . 15521 1 61 . 1 1 23 23 GLN H H 1 7.32 0.01 . 1 . . . . 22 GLN H . 15521 1 62 . 1 1 23 23 GLN HE21 H 1 7.55 0.01 . 2 . . . . 22 GLN HE21 . 15521 1 63 . 1 1 23 23 GLN HE22 H 1 6.85 0.01 . 2 . . . . 22 GLN HE22 . 15521 1 64 . 1 1 23 23 GLN N N 15 116.60 0.19 . 1 . . . . 22 GLN N . 15521 1 65 . 1 1 23 23 GLN NE2 N 15 112.70 0.19 . 1 . . . . 22 GLN NE . 15521 1 66 . 1 1 24 24 GLN H H 1 8.66 0.01 . 1 . . . . 23 GLN H . 15521 1 67 . 1 1 24 24 GLN HE21 H 1 7.87 0.01 . 2 . . . . 23 GLN HE21 . 15521 1 68 . 1 1 24 24 GLN HE22 H 1 7.67 0.01 . 2 . . . . 23 GLN HE22 . 15521 1 69 . 1 1 24 24 GLN N N 15 122.10 0.19 . 1 . . . . 23 GLN N . 15521 1 70 . 1 1 24 24 GLN NE2 N 15 116.20 0.19 . 1 . . . . 23 GLN NE . 15521 1 71 . 1 1 25 25 LYS H H 1 8.21 0.01 . 1 . . . . 24 LYS H . 15521 1 72 . 1 1 25 25 LYS N N 15 121.00 0.19 . 1 . . . . 24 LYS N . 15521 1 73 . 1 1 26 26 TYR H H 1 7.57 0.01 . 1 . . . . 25 TYR H . 15521 1 74 . 1 1 26 26 TYR N N 15 114.80 0.19 . 1 . . . . 25 TYR N . 15521 1 75 . 1 1 27 27 LEU H H 1 8.78 0.01 . 1 . . . . 26 LEU H . 15521 1 76 . 1 1 27 27 LEU N N 15 125.70 0.19 . 1 . . . . 26 LEU N . 15521 1 77 . 1 1 28 28 SER H H 1 9.03 0.01 . 1 . . . . 27 SER H . 15521 1 78 . 1 1 28 28 SER N N 15 119.50 0.19 . 1 . . . . 27 SER N . 15521 1 79 . 1 1 29 29 ALA H H 1 9.30 0.01 . 1 . . . . 28 ALA H . 15521 1 80 . 1 1 29 29 ALA N N 15 124.10 0.19 . 1 . . . . 28 ALA N . 15521 1 81 . 1 1 31 31 GLU H H 1 7.25 0.01 . 1 . . . . 30 GLU H . 15521 1 82 . 1 1 31 31 GLU N N 15 118.50 0.19 . 1 . . . . 30 GLU N . 15521 1 83 . 1 1 32 32 ARG H H 1 8.89 0.01 . 1 . . . . 31 ARG H . 15521 1 84 . 1 1 32 32 ARG HE H 1 7.25 0.01 . 1 . . . . 31 ARG HE . 15521 1 85 . 1 1 32 32 ARG N N 15 123.10 0.19 . 1 . . . . 31 ARG N . 15521 1 86 . 1 1 32 32 ARG NE N 15 85.80 0.19 . 1 . . . . 31 ARG NE . 15521 1 87 . 1 1 33 33 GLU H H 1 8.51 0.01 . 1 . . . . 32 GLU H . 15521 1 88 . 1 1 33 33 GLU N N 15 120.60 0.19 . 1 . . . . 32 GLU N . 15521 1 89 . 1 1 34 34 HIS H H 1 8.13 0.01 . 1 . . . . 33 HIS H . 15521 1 90 . 1 1 34 34 HIS N N 15 118.70 0.19 . 1 . . . . 33 HIS N . 15521 1 91 . 1 1 35 35 LEU H H 1 8.18 0.01 . 1 . . . . 34 LEU H . 15521 1 92 . 1 1 35 35 LEU N N 15 122.40 0.19 . 1 . . . . 34 LEU N . 15521 1 93 . 1 1 36 36 ALA H H 1 8.51 0.01 . 1 . . . . 35 ALA H . 15521 1 94 . 1 1 36 36 ALA N N 15 120.30 0.19 . 1 . . . . 35 ALA N . 15521 1 95 . 1 1 37 37 SER H H 1 7.77 0.01 . 1 . . . . 36 SER H . 15521 1 96 . 1 1 37 37 SER N N 15 111.80 0.19 . 1 . . . . 36 SER N . 15521 1 97 . 1 1 38 38 MET H H 1 7.73 0.01 . 1 . . . . 37 MET H . 15521 1 98 . 1 1 38 38 MET N N 15 121.00 0.19 . 1 . . . . 37 MET N . 15521 1 99 . 1 1 39 39 ILE H H 1 7.58 0.01 . 1 . . . . 38 ILE H . 15521 1 100 . 1 1 39 39 ILE N N 15 108.60 0.19 . 1 . . . . 38 ILE N . 15521 1 101 . 1 1 40 40 HIS H H 1 7.79 0.01 . 1 . . . . 39 HIS H . 15521 1 102 . 1 1 40 40 HIS N N 15 118.90 0.19 . 1 . . . . 39 HIS N . 15521 1 103 . 1 1 41 41 LEU H H 1 8.13 0.01 . 1 . . . . 40 LEU H . 15521 1 104 . 1 1 41 41 LEU N N 15 120.00 0.19 . 1 . . . . 40 LEU N . 15521 1 105 . 1 1 42 42 THR H H 1 8.92 0.01 . 1 . . . . 41 THR H . 15521 1 106 . 1 1 42 42 THR N N 15 111.70 0.19 . 1 . . . . 41 THR N . 15521 1 107 . 1 1 44 44 THR H H 1 8.00 0.01 . 1 . . . . 43 THR H . 15521 1 108 . 1 1 44 44 THR N N 15 114.50 0.19 . 1 . . . . 43 THR N . 15521 1 109 . 1 1 45 45 GLN H H 1 8.07 0.01 . 1 . . . . 44 GLN H . 15521 1 110 . 1 1 45 45 GLN HE21 H 1 7.84 0.01 . 2 . . . . 44 GLN HE21 . 15521 1 111 . 1 1 45 45 GLN HE22 H 1 6.96 0.01 . 2 . . . . 44 GLN HE22 . 15521 1 112 . 1 1 45 45 GLN N N 15 122.20 0.19 . 1 . . . . 44 GLN N . 15521 1 113 . 1 1 45 45 GLN NE2 N 15 112.80 0.19 . 1 . . . . 44 GLN NE . 15521 1 114 . 1 1 46 46 VAL H H 1 7.77 0.01 . 1 . . . . 45 VAL H . 15521 1 115 . 1 1 46 46 VAL N N 15 119.90 0.19 . 1 . . . . 45 VAL N . 15521 1 116 . 1 1 47 47 LYS H H 1 8.55 0.01 . 1 . . . . 46 LYS H . 15521 1 117 . 1 1 47 47 LYS HZ1 H 1 7.72 0.01 . 2 . . . . 46 LYS HZ . 15521 1 118 . 1 1 47 47 LYS HZ2 H 1 7.72 0.01 . 2 . . . . 46 LYS HZ . 15521 1 119 . 1 1 47 47 LYS HZ3 H 1 7.72 0.01 . 2 . . . . 46 LYS HZ . 15521 1 120 . 1 1 47 47 LYS N N 15 118.10 0.19 . 1 . . . . 46 LYS N . 15521 1 121 . 1 1 47 47 LYS NZ N 15 83.90 0.19 . 1 . . . . 46 LYS NZ . 15521 1 122 . 1 1 48 48 ILE H H 1 8.68 0.01 . 1 . . . . 47 ILE H . 15521 1 123 . 1 1 48 48 ILE N N 15 121.30 0.19 . 1 . . . . 47 ILE N . 15521 1 124 . 1 1 49 49 TRP H H 1 8.40 0.01 . 1 . . . . 48 TRP H . 15521 1 125 . 1 1 49 49 TRP HE1 H 1 10.07 0.01 . 1 . . . . 48 TRP HE1 . 15521 1 126 . 1 1 49 49 TRP N N 15 123.60 0.19 . 1 . . . . 48 TRP N . 15521 1 127 . 1 1 49 49 TRP NE1 N 15 129.90 0.19 . 1 . . . . 48 TRP NE1 . 15521 1 128 . 1 1 50 50 PHE H H 1 9.44 0.01 . 1 . . . . 49 PHE H . 15521 1 129 . 1 1 50 50 PHE N N 15 123.20 0.19 . 1 . . . . 49 PHE N . 15521 1 130 . 1 1 51 51 GLN H H 1 8.62 0.01 . 1 . . . . 50 GLN H . 15521 1 131 . 1 1 51 51 GLN HE21 H 1 7.32 0.01 . 2 . . . . 50 GLN HE21 . 15521 1 132 . 1 1 51 51 GLN HE22 H 1 6.99 0.01 . 2 . . . . 50 GLN HE22 . 15521 1 133 . 1 1 51 51 GLN N N 15 120.20 0.19 . 1 . . . . 50 GLN N . 15521 1 134 . 1 1 51 51 GLN NE2 N 15 113.80 0.19 . 1 . . . . 50 GLN NE . 15521 1 135 . 1 1 52 52 ASN H H 1 8.78 0.01 . 1 . . . . 51 ASN H . 15521 1 136 . 1 1 52 52 ASN HD21 H 1 7.69 0.01 . 2 . . . . 51 ASN HD21 . 15521 1 137 . 1 1 52 52 ASN HD22 H 1 6.94 0.01 . 2 . . . . 51 ASN HD22 . 15521 1 138 . 1 1 52 52 ASN ND2 N 15 119.00 0.19 . 1 . . . . 51 ASN ND2 . 15521 1 139 . 1 1 53 53 HIS H H 1 8.15 0.01 . 1 . . . . 52 HIS H . 15521 1 140 . 1 1 53 53 HIS N N 15 120.90 0.19 . 1 . . . . 52 HIS N . 15521 1 141 . 1 1 54 54 ARG H H 1 8.34 0.01 . 1 . . . . 53 ARG H . 15521 1 142 . 1 1 54 54 ARG HE H 1 7.25 0.01 . 1 . . . . 53 ARG HE . 15521 1 143 . 1 1 54 54 ARG N N 15 121.50 0.19 . 1 . . . . 53 ARG N . 15521 1 144 . 1 1 54 54 ARG NE N 15 85.80 0.19 . 1 . . . . 53 ARG NE . 15521 1 145 . 1 1 55 55 TYR H H 1 7.89 0.01 . 1 . . . . 54 TYR H . 15521 1 146 . 1 1 55 55 TYR N N 15 121.00 0.19 . 1 . . . . 54 TYR N . 15521 1 147 . 1 1 56 56 LYS H H 1 7.77 0.01 . 1 . . . . 55 LYS H . 15521 1 148 . 1 1 56 56 LYS HZ1 H 1 7.59 0.01 . 2 . . . . 55 LYS HZ . 15521 1 149 . 1 1 56 56 LYS HZ2 H 1 7.59 0.01 . 2 . . . . 55 LYS HZ . 15521 1 150 . 1 1 56 56 LYS HZ3 H 1 7.59 0.01 . 2 . . . . 55 LYS HZ . 15521 1 151 . 1 1 56 56 LYS N N 15 120.10 0.19 . 1 . . . . 55 LYS N . 15521 1 152 . 1 1 56 56 LYS NZ N 15 84.90 0.19 . 1 . . . . 55 LYS NZ . 15521 1 153 . 1 1 57 57 MET H H 1 7.69 0.01 . 1 . . . . 56 MET H . 15521 1 154 . 1 1 57 57 MET N N 15 119.00 0.19 . 1 . . . . 56 MET N . 15521 1 155 . 1 1 58 58 LYS H H 1 7.95 0.01 . 1 . . . . 57 LYS H . 15521 1 156 . 1 1 58 58 LYS N N 15 122.40 0.19 . 1 . . . . 57 LYS N . 15521 1 157 . 1 1 59 59 ARG H H 1 8.14 0.01 . 1 . . . . 58 ARG H . 15521 1 158 . 1 1 59 59 ARG HE H 1 7.25 0.01 . 1 . . . . 58 ARG HE . 15521 1 159 . 1 1 59 59 ARG N N 15 122.30 0.19 . 1 . . . . 58 ARG N . 15521 1 160 . 1 1 59 59 ARG NE N 15 85.80 0.19 . 1 . . . . 58 ARG NE . 15521 1 161 . 1 1 60 60 GLN H H 1 8.33 0.01 . 1 . . . . 59 GLN H . 15521 1 162 . 1 1 60 60 GLN HE21 H 1 7.61 0.01 . 2 . . . . 59 GLN HE21 . 15521 1 163 . 1 1 60 60 GLN HE22 H 1 6.89 0.01 . 2 . . . . 59 GLN HE22 . 15521 1 164 . 1 1 60 60 GLN N N 15 122.00 0.19 . 1 . . . . 59 GLN N . 15521 1 165 . 1 1 60 60 GLN NE2 N 15 113.90 0.19 . 1 . . . . 59 GLN NE . 15521 1 166 . 1 1 61 61 ALA H H 1 8.26 0.01 . 1 . . . . 60 ALA H . 15521 1 167 . 1 1 61 61 ALA N N 15 125.90 0.19 . 1 . . . . 60 ALA N . 15521 1 168 . 1 1 62 62 LYS H H 1 8.29 0.01 . 1 . . . . 61 LYS H . 15521 1 169 . 1 1 62 62 LYS N N 15 121.10 0.19 . 1 . . . . 61 LYS N . 15521 1 170 . 1 1 63 63 ASP H H 1 8.30 0.01 . 1 . . . . 62 ASP H . 15521 1 171 . 1 1 63 63 ASP N N 15 122.10 0.19 . 1 . . . . 62 ASP N . 15521 1 172 . 1 1 64 64 LYS H H 1 8.28 0.01 . 1 . . . . 63 LYS H . 15521 1 173 . 1 1 64 64 LYS N N 15 122.90 0.19 . 1 . . . . 63 LYS N . 15521 1 174 . 1 1 65 65 ALA H H 1 8.18 0.01 . 1 . . . . 64 ALA H . 15521 1 175 . 1 1 65 65 ALA N N 15 124.00 0.19 . 1 . . . . 64 ALA N . 15521 1 176 . 1 1 66 66 ALA H H 1 8.29 0.01 . 1 . . . . 65 ALA H . 15521 1 177 . 1 1 66 66 ALA N N 15 125.50 0.19 . 1 . . . . 65 ALA N . 15521 1 178 . 1 1 67 67 GLN H H 1 8.32 0.01 . 1 . . . . 66 GLN H . 15521 1 179 . 1 1 67 67 GLN HE21 H 1 6.92 0.01 . 2 . . . . 66 GLN HE21 . 15521 1 180 . 1 1 67 67 GLN HE22 H 1 6.92 0.01 . 2 . . . . 66 GLN HE22 . 15521 1 181 . 1 1 67 67 GLN N N 15 121.10 0.19 . 1 . . . . 66 GLN N . 15521 1 182 . 1 1 67 67 GLN NE2 N 15 113.60 0.19 . 1 . . . . 66 GLN NE . 15521 1 183 . 1 1 68 68 GLN H H 1 8.13 0.01 . 1 . . . . 67 GLN H . 15521 1 184 . 1 1 68 68 GLN HE21 H 1 7.55 0.01 . 2 . . . . 67 GLN HE21 . 15521 1 185 . 1 1 68 68 GLN HE22 H 1 6.99 0.01 . 2 . . . . 67 GLN HE22 . 15521 1 186 . 1 1 68 68 GLN N N 15 127.90 0.19 . 1 . . . . 67 GLN N . 15521 1 187 . 1 1 68 68 GLN NE2 N 15 113.80 0.19 . 1 . . . . 67 GLN NE . 15521 1 stop_ save_