################################### # 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 28017 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.0005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.15 _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 '1H: variation among assigned peaks. 13C and 15N: estimated based on the spectral resolution.' _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 HSQC' . . . 28017 1 2 '2D 1H-1H TOCSY' . . . 28017 1 3 '2D 1H-1H NOESY' . . . 28017 1 5 '2D DQF-COSY' . . . 28017 1 7 '2D 1H-13C HSQC aliphatic' . . . 28017 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 2 $SPARKY . . 28017 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 1 1 TRP H H 1 8.34 0.005 . 1 . . . . . 1 TRP H . 28017 1 2 . 1 . 1 1 1 TRP HA H 1 4.47 0.005 . 1 . . . . . 1 TRP HA . 28017 1 3 . 1 . 1 1 1 TRP HB2 H 1 3.15 0.005 . 2 . . . . . 1 TRP HB2 . 28017 1 4 . 1 . 1 1 1 TRP HB3 H 1 3.15 0.005 . 2 . . . . . 1 TRP HB3 . 28017 1 5 . 1 . 1 1 1 TRP HD1 H 1 7.11 0.005 . 1 . . . . . 1 TRP HD1 . 28017 1 6 . 1 . 1 1 1 TRP HE1 H 1 10.02 0.005 . 1 . . . . . 1 TRP HE1 . 28017 1 7 . 1 . 1 1 1 TRP HE3 H 1 7.53 0.005 . 1 . . . . . 1 TRP HE3 . 28017 1 8 . 1 . 1 1 1 TRP HZ2 H 1 7.44 0.005 . 1 . . . . . 1 TRP HZ2 . 28017 1 9 . 1 . 1 1 1 TRP HZ3 H 1 7.10 0.005 . 1 . . . . . 1 TRP HZ3 . 28017 1 10 . 1 . 1 1 1 TRP HH2 H 1 7.22 0.005 . 1 . . . . . 1 TRP HH2 . 28017 1 11 . 1 . 1 1 1 TRP CA C 13 57.5 0.1 . 1 . . . . . 1 TRP CA . 28017 1 12 . 1 . 1 1 1 TRP CB C 13 29.4 0.1 . 1 . . . . . 1 TRP CB . 28017 1 13 . 1 . 1 1 1 TRP N N 15 127.5 0.15 . 1 . . . . . 1 TRP N . 28017 1 14 . 1 . 1 1 1 TRP NE1 N 15 128.9 0.15 . 1 . . . . . 1 TRP NE1 . 28017 1 15 . 1 . 1 2 2 LYS H H 1 7.92 0.005 . 1 . . . . . 2 LYS H . 28017 1 16 . 1 . 1 2 2 LYS HA H 1 4.09 0.005 . 1 . . . . . 2 LYS HA . 28017 1 17 . 1 . 1 2 2 LYS HB2 H 1 1.46 0.005 . 2 . . . . . 2 LYS HB2 . 28017 1 18 . 1 . 1 2 2 LYS HB3 H 1 1.38 0.005 . 2 . . . . . 2 LYS HB3 . 28017 1 19 . 1 . 1 2 2 LYS HG2 H 1 1.03 0.005 . 2 . . . . . 2 LYS HG2 . 28017 1 20 . 1 . 1 2 2 LYS HG3 H 1 1.03 0.005 . 2 . . . . . 2 LYS HG3 . 28017 1 21 . 1 . 1 2 2 LYS HD2 H 1 1.48 0.005 . 2 . . . . . 2 LYS HD2 . 28017 1 22 . 1 . 1 2 2 LYS HD3 H 1 1.48 0.005 . 2 . . . . . 2 LYS HD3 . 28017 1 23 . 1 . 1 2 2 LYS HE2 H 1 2.73 0.005 . 2 . . . . . 2 LYS HE2 . 28017 1 24 . 1 . 1 2 2 LYS HE3 H 1 2.73 0.005 . 2 . . . . . 2 LYS HE3 . 28017 1 25 . 1 . 1 2 2 LYS CA C 13 57.5 0.1 . 1 . . . . . 2 LYS CA . 28017 1 26 . 1 . 1 2 2 LYS CB C 13 33.6 0.1 . 1 . . . . . 2 LYS CB . 28017 1 27 . 1 . 1 2 2 LYS CG C 13 24.4 0.1 . 1 . . . . . 2 LYS CG . 28017 1 28 . 1 . 1 2 2 LYS CD C 13 28.9 0.1 . 1 . . . . . 2 LYS CD . 28017 1 29 . 1 . 1 2 2 LYS CE C 13 41.7 0.1 . 1 . . . . . 2 LYS CE . 28017 1 30 . 1 . 1 2 2 LYS N N 15 121.8 0.15 . 1 . . . . . 2 LYS N . 28017 1 31 . 1 . 1 3 3 TRP H H 1 7.95 0.005 . 1 . . . . . 3 TRP H . 28017 1 32 . 1 . 1 3 3 TRP HA H 1 4.25 0.005 . 1 . . . . . 3 TRP HA . 28017 1 33 . 1 . 1 3 3 TRP HB2 H 1 3.06 0.005 . 2 . . . . . 3 TRP HB2 . 28017 1 34 . 1 . 1 3 3 TRP HB3 H 1 3.06 0.005 . 2 . . . . . 3 TRP HB3 . 28017 1 35 . 1 . 1 3 3 TRP HD1 H 1 7.21 0.005 . 1 . . . . . 3 TRP HD1 . 28017 1 36 . 1 . 1 3 3 TRP HE1 H 1 10.22 0.005 . 1 . . . . . 3 TRP HE1 . 28017 1 37 . 1 . 1 3 3 TRP HE3 H 1 7.53 0.005 . 1 . . . . . 3 TRP HE3 . 28017 1 38 . 1 . 1 3 3 TRP HZ2 H 1 7.44 0.005 . 1 . . . . . 3 TRP HZ2 . 28017 1 39 . 1 . 1 3 3 TRP HZ3 H 1 7.10 0.005 . 1 . . . . . 3 TRP HZ3 . 28017 1 40 . 1 . 1 3 3 TRP HH2 H 1 7.22 0.005 . 1 . . . . . 3 TRP HH2 . 28017 1 41 . 1 . 1 3 3 TRP CA C 13 57.5 0.1 . 1 . . . . . 3 TRP CA . 28017 1 42 . 1 . 1 3 3 TRP CB C 13 29.6 0.1 . 1 . . . . . 3 TRP CB . 28017 1 43 . 1 . 1 3 3 TRP N N 15 124.0 0.15 . 1 . . . . . 3 TRP N . 28017 1 44 . 1 . 1 4 4 TRP H H 1 7.95 0.005 . 1 . . . . . 4 TRP H . 28017 1 45 . 1 . 1 4 4 TRP HA H 1 4.62 0.005 . 1 . . . . . 4 TRP HA . 28017 1 46 . 1 . 1 4 4 TRP HB2 H 1 3.13 0.005 . 2 . . . . . 4 TRP HB2 . 28017 1 47 . 1 . 1 4 4 TRP HB3 H 1 2.96 0.005 . 1 . . . . . 4 TRP HB3 . 28017 1 48 . 1 . 1 4 4 TRP HD1 H 1 7.07 0.005 . 1 . . . . . 4 TRP HD1 . 28017 1 49 . 1 . 1 4 4 TRP HE1 H 1 10.17 0.005 . 1 . . . . . 4 TRP HE1 . 28017 1 50 . 1 . 1 4 4 TRP HE3 H 1 7.46 0.005 . 1 . . . . . 4 TRP HE3 . 28017 1 51 . 1 . 1 4 4 TRP HZ2 H 1 7.40 0.005 . 1 . . . . . 4 TRP HZ2 . 28017 1 52 . 1 . 1 4 4 TRP HZ3 H 1 7.05 0.005 . 1 . . . . . 4 TRP HZ3 . 28017 1 53 . 1 . 1 4 4 TRP HH2 H 1 7.16 0.005 . 1 . . . . . 4 TRP HH2 . 28017 1 54 . 1 . 1 4 4 TRP CA C 13 54.5 0.1 . 1 . . . . . 4 TRP CA . 28017 1 55 . 1 . 1 4 4 TRP CB C 13 28.9 0.1 . 1 . . . . . 4 TRP CB . 28017 1 56 . 1 . 1 4 4 TRP N N 15 125.0 0.15 . 1 . . . . . 4 TRP N . 28017 1 57 . 1 . 1 4 4 TRP NE1 N 15 129.4 0.15 . 1 . . . . . 4 TRP NE1 . 28017 1 58 . 1 . 1 5 5 PRO HA H 1 4.07 0.005 . 1 . . . . . 5 PRO HA . 28017 1 59 . 1 . 1 5 5 PRO HB2 H 1 2.23 0.005 . 2 . . . . . 5 PRO HB2 . 28017 1 60 . 1 . 1 5 5 PRO HB3 H 1 1.86 0.005 . 2 . . . . . 5 PRO HB3 . 28017 1 61 . 1 . 1 5 5 PRO HG2 H 1 1.95 0.005 . 2 . . . . . 5 PRO HG2 . 28017 1 62 . 1 . 1 5 5 PRO HG3 H 1 1.95 0.005 . 2 . . . . . 5 PRO HG3 . 28017 1 63 . 1 . 1 5 5 PRO HD2 H 1 3.45 0.005 . 2 . . . . . 5 PRO HD2 . 28017 1 64 . 1 . 1 5 5 PRO HD3 H 1 3.45 0.005 . 2 . . . . . 5 PRO HD3 . 28017 1 65 . 1 . 1 5 5 PRO CA C 13 63.5 0.1 . 1 . . . . . 5 PRO CA . 28017 1 66 . 1 . 1 5 5 PRO CB C 13 31.9 0.1 . 1 . . . . . 5 PRO CB . 28017 1 67 . 1 . 1 5 5 PRO CG C 13 27.2 0.1 . 1 . . . . . 5 PRO CG . 28017 1 68 . 1 . 1 5 5 PRO CD C 13 50.5 0.1 . 1 . . . . . 5 PRO CD . 28017 1 69 . 1 . 1 6 6 GLY H H 1 7.68 0.005 . 1 . . . . . 6 GLY H . 28017 1 70 . 1 . 1 6 6 GLY HA2 H 1 3.75 0.005 . 2 . . . . . 6 GLY HA2 . 28017 1 71 . 1 . 1 6 6 GLY HA3 H 1 3.67 0.005 . 2 . . . . . 6 GLY HA3 . 28017 1 72 . 1 . 1 6 6 GLY CA C 13 44.9 0.1 . 1 . . . . . 6 GLY CA . 28017 1 73 . 1 . 1 6 6 GLY N N 15 108.0 0.15 . 1 . . . . . 6 GLY N . 28017 1 74 . 1 . 1 7 7 ILE H H 1 7.71 0.005 . 1 . . . . . 7 ILE H . 28017 1 75 . 1 . 1 7 7 ILE HA H 1 3.93 0.005 . 1 . . . . . 7 ILE HA . 28017 1 76 . 1 . 1 7 7 ILE HB H 1 1.41 0.005 . 1 . . . . . 7 ILE HB . 28017 1 77 . 1 . 1 7 7 ILE HG12 H 1 1.15 0.005 . 2 . . . . . 7 ILE HG12 . 28017 1 78 . 1 . 1 7 7 ILE HG13 H 1 0.93 0.005 . 2 . . . . . 7 ILE HG13 . 28017 1 79 . 1 . 1 7 7 ILE HG21 H 1 0.61 0.005 . 1 . . . . . 7 ILE MG . 28017 1 80 . 1 . 1 7 7 ILE HG22 H 1 0.61 0.005 . 1 . . . . . 7 ILE MG . 28017 1 81 . 1 . 1 7 7 ILE HG23 H 1 0.61 0.005 . 1 . . . . . 7 ILE MG . 28017 1 82 . 1 . 1 7 7 ILE HD11 H 1 0.62 0.005 . 1 . . . . . 7 ILE MD . 28017 1 83 . 1 . 1 7 7 ILE HD12 H 1 0.62 0.005 . 1 . . . . . 7 ILE MD . 28017 1 84 . 1 . 1 7 7 ILE HD13 H 1 0.62 0.005 . 1 . . . . . 7 ILE MD . 28017 1 85 . 1 . 1 7 7 ILE CA C 13 61.4 0.1 . 1 . . . . . 7 ILE CA . 28017 1 86 . 1 . 1 7 7 ILE CB C 13 38.3 0.1 . 1 . . . . . 7 ILE CB . 28017 1 87 . 1 . 1 7 7 ILE CG1 C 13 27.3 0.1 . 1 . . . . . 7 ILE CG1 . 28017 1 88 . 1 . 1 7 7 ILE CG2 C 13 16.9 0.1 . 1 . . . . . 7 ILE CG2 . 28017 1 89 . 1 . 1 7 7 ILE CD1 C 13 13.1 0.1 . 1 . . . . . 7 ILE CD1 . 28017 1 90 . 1 . 1 7 7 ILE N N 15 120.0 0.15 . 1 . . . . . 7 ILE N . 28017 1 91 . 1 . 1 8 8 PHE H H 1 8.53 0.005 . 1 . . . . . 8 PHE H . 28017 1 92 . 1 . 1 8 8 PHE HA H 1 4.64 0.005 . 1 . . . . . 8 PHE HA . 28017 1 93 . 1 . 1 8 8 PHE HB2 H 1 3.16 0.005 . 2 . . . . . 8 PHE HB2 . 28017 1 94 . 1 . 1 8 8 PHE HB3 H 1 2.99 0.005 . 2 . . . . . 8 PHE HB3 . 28017 1 95 . 1 . 1 8 8 PHE HD1 H 1 7.22 0.005 . 3 . . . . . 8 PHE HD1 . 28017 1 96 . 1 . 1 8 8 PHE HD2 H 1 7.22 0.005 . 3 . . . . . 8 PHE HD2 . 28017 1 97 . 1 . 1 8 8 PHE HE1 H 1 7.33 0.005 . 3 . . . . . 8 PHE HE1 . 28017 1 98 . 1 . 1 8 8 PHE HE2 H 1 7.33 0.005 . 3 . . . . . 8 PHE HE2 . 28017 1 99 . 1 . 1 8 8 PHE HZ H 1 7.29 0.005 . 1 . . . . . 8 PHE HZ . 28017 1 100 . 1 . 1 8 8 PHE CA C 13 57.9 0.1 . 1 . . . . . 8 PHE CA . 28017 1 101 . 1 . 1 8 8 PHE CB C 13 39.1 0.1 . 1 . . . . . 8 PHE CB . 28017 1 102 . 1 . 1 8 8 PHE N N 15 124.1 0.15 . 1 . . . . . 8 PHE N . 28017 1 103 . 1 . 1 9 9 GLY H H 1 8.32 0.005 . 1 . . . . . 9 GLY H . 28017 1 104 . 1 . 1 9 9 GLY HA2 H 1 3.91 0.005 . 2 . . . . . 9 GLY HA2 . 28017 1 105 . 1 . 1 9 9 GLY HA3 H 1 3.78 0.005 . 2 . . . . . 9 GLY HA3 . 28017 1 106 . 1 . 1 9 9 GLY CA C 13 45.1 0.1 . 1 . . . . . 9 GLY CA . 28017 1 107 . 1 . 1 9 9 GLY N N 15 111.3 0.15 . 1 . . . . . 9 GLY N . 28017 1 108 . 1 . 1 10 10 GLY H H 1 8.10 0.005 . 1 . . . . . 10 GLY H . 28017 1 109 . 1 . 1 10 10 GLY HA2 H 1 3.90 0.005 . 2 . . . . . 10 GLY HA2 . 28017 1 110 . 1 . 1 10 10 GLY HA3 H 1 3.90 0.005 . 2 . . . . . 10 GLY HA3 . 28017 1 111 . 1 . 1 10 10 GLY CA C 13 44.9 0.1 . 1 . . . . . 10 GLY CA . 28017 1 112 . 1 . 1 10 10 GLY N N 15 108.1 0.15 . 1 . . . . . 10 GLY N . 28017 1 113 . 1 . 1 11 11 GLY H H 1 8.10 0.005 . 1 . . . . . 11 GLY H . 28017 1 114 . 1 . 1 11 11 GLY HA2 H 1 3.91 0.005 . 2 . . . . . 11 GLY HA2 . 28017 1 115 . 1 . 1 11 11 GLY HA3 H 1 3.91 0.005 . 2 . . . . . 11 GLY HA3 . 28017 1 116 . 1 . 1 11 11 GLY CA C 13 45.0 0.1 . 1 . . . . . 11 GLY CA . 28017 1 117 . 1 . 1 11 11 GLY N N 15 108.7 0.15 . 1 . . . . . 11 GLY N . 28017 1 118 . 1 . 1 12 12 ALA H H 1 8.35 0.005 . 1 . . . . . 12 ALA H . 28017 1 119 . 1 . 1 12 12 ALA HA H 1 4.30 0.005 . 1 . . . . . 12 ALA HA . 28017 1 120 . 1 . 1 12 12 ALA HB1 H 1 1.37 0.005 . 1 . . . . . 12 ALA MB . 28017 1 121 . 1 . 1 12 12 ALA HB2 H 1 1.37 0.005 . 1 . . . . . 12 ALA MB . 28017 1 122 . 1 . 1 12 12 ALA HB3 H 1 1.37 0.005 . 1 . . . . . 12 ALA MB . 28017 1 123 . 1 . 1 12 12 ALA CA C 13 52.6 0.1 . 1 . . . . . 12 ALA CA . 28017 1 124 . 1 . 1 12 12 ALA CB C 13 19.1 0.1 . 1 . . . . . 12 ALA CB . 28017 1 125 . 1 . 1 12 12 ALA N N 15 123.5 0.15 . 1 . . . . . 12 ALA N . 28017 1 126 . 1 . 1 13 13 SER H H 1 8.53 0.005 . 1 . . . . . 13 SER H . 28017 1 127 . 1 . 1 13 13 SER HA H 1 4.37 0.005 . 1 . . . . . 13 SER HA . 28017 1 128 . 1 . 1 13 13 SER HB2 H 1 3.84 0.005 . 2 . . . . . 13 SER HB2 . 28017 1 129 . 1 . 1 13 13 SER HB3 H 1 3.84 0.005 . 2 . . . . . 13 SER HB3 . 28017 1 130 . 1 . 1 13 13 SER CA C 13 58.3 0.15 . 1 . . . . . 13 SER CA . 28017 1 131 . 1 . 1 13 13 SER CB C 13 63.8 0.1 . 1 . . . . . 13 SER CB . 28017 1 132 . 1 . 1 13 13 SER N N 15 114.6 0.15 . 1 . . . . . 13 SER N . 28017 1 133 . 1 . 1 14 14 GLN H H 1 8.41 0.005 . 1 . . . . . 14 GLN H . 28017 1 134 . 1 . 1 14 14 GLN HA H 1 4.26 0.005 . 1 . . . . . 14 GLN HA . 28017 1 135 . 1 . 1 14 14 GLN HB2 H 1 2.08 0.005 . 2 . . . . . 14 GLN HB2 . 28017 1 136 . 1 . 1 14 14 GLN HB3 H 1 2.08 0.005 . 2 . . . . . 14 GLN HB3 . 28017 1 137 . 1 . 1 14 14 GLN HG2 H 1 2.28 0.005 . 2 . . . . . 14 GLN HG2 . 28017 1 138 . 1 . 1 14 14 GLN HG3 H 1 2.28 0.005 . 2 . . . . . 14 GLN HG3 . 28017 1 139 . 1 . 1 14 14 GLN HE21 H 1 7.75 0.005 . 2 . . . . . 14 GLN HE21 . 28017 1 140 . 1 . 1 14 14 GLN HE22 H 1 6.95 0.005 . 2 . . . . . 14 GLN HE22 . 28017 1 141 . 1 . 1 14 14 GLN CA C 13 55.9 0.1 . 1 . . . . . 14 GLN CA . 28017 1 142 . 1 . 1 14 14 GLN CB C 13 29.3 0.1 . 1 . . . . . 14 GLN CB . 28017 1 143 . 1 . 1 14 14 GLN CG C 13 33.6 0.1 . 1 . . . . . 14 GLN CG . 28017 1 144 . 1 . 1 14 14 GLN N N 15 121.6 0.15 . 1 . . . . . 14 GLN N . 28017 1 145 . 1 . 1 14 14 GLN NE2 N 15 112.6 0.15 . 1 . . . . . 14 GLN NE2 . 28017 1 146 . 1 . 1 15 15 GLN H H 1 8.42 0.005 . 1 . . . . . 15 GLN H . 28017 1 147 . 1 . 1 15 15 GLN HA H 1 4.23 0.005 . 1 . . . . . 15 GLN HA . 28017 1 148 . 1 . 1 15 15 GLN HB2 H 1 2.05 0.005 . 1 . . . . . 15 GLN HB2 . 28017 1 149 . 1 . 1 15 15 GLN HB3 H 1 2.05 0.005 . 1 . . . . . 15 GLN HB3 . 28017 1 150 . 1 . 1 15 15 GLN HG2 H 1 2.30 0.005 . 1 . . . . . 15 GLN HG2 . 28017 1 151 . 1 . 1 15 15 GLN HG3 H 1 2.30 0.005 . 1 . . . . . 15 GLN HG3 . 28017 1 152 . 1 . 1 15 15 GLN HE21 H 1 7.56 0.005 . 2 . . . . . 15 GLN HE21 . 28017 1 153 . 1 . 1 15 15 GLN HE22 H 1 6.94 0.005 . 2 . . . . . 15 GLN HE22 . 28017 1 154 . 1 . 1 15 15 GLN CA C 13 55.9 0.1 . 1 . . . . . 15 GLN CA . 28017 1 155 . 1 . 1 15 15 GLN CB C 13 29.3 0.1 . 1 . . . . . 15 GLN CB . 28017 1 156 . 1 . 1 15 15 GLN CG C 13 33.6 0.1 . 1 . . . . . 15 GLN CG . 28017 1 157 . 1 . 1 15 15 GLN N N 15 120.7 0.15 . 1 . . . . . 15 GLN N . 28017 1 158 . 1 . 1 15 15 GLN NE2 N 15 112.6 0.2 . 1 . . . . . 15 GLN NE2 . 28017 1 159 . 1 . 1 16 16 ASN H H 1 8.56 0.005 . 1 . . . . . 16 ASN H . 28017 1 160 . 1 . 1 16 16 ASN HA H 1 4.66 0.005 . 1 . . . . . 16 ASN HA . 28017 1 161 . 1 . 1 16 16 ASN HB2 H 1 2.80 0.005 . 2 . . . . . 16 ASN HB2 . 28017 1 162 . 1 . 1 16 16 ASN HB3 H 1 2.72 0.005 . 2 . . . . . 16 ASN HB3 . 28017 1 163 . 1 . 1 16 16 ASN HD21 H 1 7.68 0.005 . 2 . . . . . 16 ASN HD21 . 28017 1 164 . 1 . 1 16 16 ASN HD22 H 1 7.01 0.005 . 2 . . . . . 16 ASN HD22 . 28017 1 165 . 1 . 1 16 16 ASN CA C 13 53.3 0.1 . 1 . . . . . 16 ASN CA . 28017 1 166 . 1 . 1 16 16 ASN CB C 13 38.6 0.1 . 1 . . . . . 16 ASN CB . 28017 1 167 . 1 . 1 16 16 ASN N N 15 119.3 0.15 . 1 . . . . . 16 ASN N . 28017 1 168 . 1 . 1 16 16 ASN ND2 N 15 112.8 0.2 . 1 . . . . . 16 ASN ND2 . 28017 1 169 . 1 . 1 17 17 GLN H H 1 8.50 0.005 . 1 . . . . . 17 GLN H . 28017 1 170 . 1 . 1 17 17 GLN HA H 1 4.34 0.005 . 1 . . . . . 17 GLN HA . 28017 1 171 . 1 . 1 17 17 GLN HB2 H 1 2.15 0.005 . 2 . . . . . 17 GLN HB2 . 28017 1 172 . 1 . 1 17 17 GLN HB3 H 1 1.95 0.005 . 2 . . . . . 17 GLN HB3 . 28017 1 173 . 1 . 1 17 17 GLN HG2 H 1 2.32 0.005 . 2 . . . . . 17 GLN HG2 . 28017 1 174 . 1 . 1 17 17 GLN HG3 H 1 2.32 0.005 . 2 . . . . . 17 GLN HG3 . 28017 1 175 . 1 . 1 17 17 GLN HE21 H 1 7.60 0.005 . 2 . . . . . 17 GLN HE21 . 28017 1 176 . 1 . 1 17 17 GLN HE22 H 1 6.94 0.005 . 2 . . . . . 17 GLN HE22 . 28017 1 177 . 1 . 1 17 17 GLN CA C 13 55.9 0.1 . 1 . . . . . 17 GLN CA . 28017 1 178 . 1 . 1 17 17 GLN CB C 13 29.3 0.1 . 1 . . . . . 17 GLN CB . 28017 1 179 . 1 . 1 17 17 GLN CG C 13 33.6 0.1 . 1 . . . . . 17 GLN CG . 28017 1 180 . 1 . 1 17 17 GLN N N 15 120.7 0.15 . 1 . . . . . 17 GLN N . 28017 1 181 . 1 . 1 17 17 GLN NE2 N 15 112.6 0.2 . 1 . . . . . 17 GLN NE2 . 28017 1 182 . 1 . 1 18 18 SER H H 1 8.49 0.005 . 1 . . . . . 18 SER H . 28017 1 183 . 1 . 1 18 18 SER HA H 1 4.48 0.005 . 1 . . . . . 18 SER HA . 28017 1 184 . 1 . 1 18 18 SER HB2 H 1 3.86 0.005 . 2 . . . . . 18 SER HB2 . 28017 1 185 . 1 . 1 18 18 SER HB3 H 1 3.86 0.005 . 2 . . . . . 18 SER HB3 . 28017 1 186 . 1 . 1 18 18 SER CA C 13 58.2 0.1 . 1 . . . . . 18 SER CA . 28017 1 187 . 1 . 1 18 18 SER CB C 13 63.6 0.1 . 1 . . . . . 18 SER CB . 28017 1 188 . 1 . 1 18 18 SER N N 15 116.7 0.15 . 1 . . . . . 18 SER N . 28017 1 189 . 1 . 1 19 19 GLY H H 1 8.29 0.005 . 1 . . . . . 19 GLY H . 28017 1 190 . 1 . 1 19 19 GLY HA2 H 1 4.03 0.005 . 2 . . . . . 19 GLY HA2 . 28017 1 191 . 1 . 1 19 19 GLY HA3 H 1 4.03 0.005 . 2 . . . . . 19 GLY HA3 . 28017 1 192 . 1 . 1 19 19 GLY CA C 13 44.5 0.1 . 1 . . . . . 19 GLY CA . 28017 1 193 . 1 . 1 19 19 GLY N N 15 110.4 0.15 . 1 . . . . . 19 GLY N . 28017 1 194 . 1 . 1 20 20 PRO HA H 1 4.41 0.005 . 1 . . . . . 20 PRO HA . 28017 1 195 . 1 . 1 20 20 PRO HB2 H 1 2.23 0.005 . 2 . . . . . 20 PRO HB2 . 28017 1 196 . 1 . 1 20 20 PRO HB3 H 1 1.94 0.005 . 2 . . . . . 20 PRO HB3 . 28017 1 197 . 1 . 1 20 20 PRO HG2 H 1 2.00 0.005 . 2 . . . . . 20 PRO HG2 . 28017 1 198 . 1 . 1 20 20 PRO HG3 H 1 2.00 0.005 . 2 . . . . . 20 PRO HG3 . 28017 1 199 . 1 . 1 20 20 PRO HD2 H 1 3.56 0.005 . 2 . . . . . 20 PRO HD2 . 28017 1 200 . 1 . 1 20 20 PRO HD3 H 1 3.49 0.005 . 2 . . . . . 20 PRO HD3 . 28017 1 201 . 1 . 1 20 20 PRO CA C 13 63.3 0.1 . 1 . . . . . 20 PRO CA . 28017 1 202 . 1 . 1 20 20 PRO CB C 13 32.1 0.1 . 1 . . . . . 20 PRO CB . 28017 1 203 . 1 . 1 20 20 PRO CG C 13 27.2 0.1 . 1 . . . . . 20 PRO CG . 28017 1 204 . 1 . 1 20 20 PRO CD C 13 49.6 0.1 . 1 . . . . . 20 PRO CD . 28017 1 205 . 1 . 1 21 21 SER H H 1 8.63 0.005 . 1 . . . . . 21 SER H . 28017 1 206 . 1 . 1 21 21 SER HA H 1 4.42 0.005 . 1 . . . . . 21 SER HA . 28017 1 207 . 1 . 1 21 21 SER HB2 H 1 3.89 0.005 . 2 . . . . . 21 SER HB2 . 28017 1 208 . 1 . 1 21 21 SER HB3 H 1 3.89 0.005 . 2 . . . . . 21 SER HB3 . 28017 1 209 . 1 . 1 21 21 SER CA C 13 58.3 0.1 . 1 . . . . . 21 SER CA . 28017 1 210 . 1 . 1 21 21 SER CB C 13 63.6 0.1 . 1 . . . . . 21 SER CB . 28017 1 211 . 1 . 1 21 21 SER N N 15 116.0 0.15 . 1 . . . . . 21 SER N . 28017 1 212 . 1 . 1 22 22 GLY H H 1 8.45 0.005 . 1 . . . . . 22 GLY H . 28017 1 213 . 1 . 1 22 22 GLY HA2 H 1 3.95 0.005 . 2 . . . . . 22 GLY HA2 . 28017 1 214 . 1 . 1 22 22 GLY HA3 H 1 3.95 0.005 . 2 . . . . . 22 GLY HA3 . 28017 1 215 . 1 . 1 22 22 GLY CA C 13 45.2 0.1 . 1 . . . . . 22 GLY CA . 28017 1 216 . 1 . 1 22 22 GLY N N 15 110.4 0.15 . 1 . . . . . 22 GLY N . 28017 1 217 . 1 . 1 23 23 ASN H H 1 8.43 0.005 . 1 . . . . . 23 ASN H . 28017 1 218 . 1 . 1 23 23 ASN HA H 1 4.72 0.005 . 1 . . . . . 23 ASN HA . 28017 1 219 . 1 . 1 23 23 ASN HB2 H 1 2.82 0.005 . 2 . . . . . 23 ASN HB2 . 28017 1 220 . 1 . 1 23 23 ASN HB3 H 1 2.73 0.005 . 2 . . . . . 23 ASN HB3 . 28017 1 221 . 1 . 1 23 23 ASN HD21 H 1 7.68 0.005 . 2 . . . . . 23 ASN HD21 . 28017 1 222 . 1 . 1 23 23 ASN HD22 H 1 7.01 0.005 . 2 . . . . . 23 ASN HD22 . 28017 1 223 . 1 . 1 23 23 ASN CA C 13 53.0 0.1 . 1 . . . . . 23 ASN CA . 28017 1 224 . 1 . 1 23 23 ASN CB C 13 38.6 0.1 . 1 . . . . . 23 ASN CB . 28017 1 225 . 1 . 1 23 23 ASN N N 15 118.3 0.15 . 1 . . . . . 23 ASN N . 28017 1 226 . 1 . 1 23 23 ASN ND2 N 15 112.8 0.2 . 1 . . . . . 23 ASN ND2 . 28017 1 227 . 1 . 1 24 24 ASN H H 1 8.59 0.005 . 1 . . . . . 24 ASN H . 28017 1 228 . 1 . 1 24 24 ASN HA H 1 4.67 0.005 . 1 . . . . . 24 ASN HA . 28017 1 229 . 1 . 1 24 24 ASN HB2 H 1 2.83 0.005 . 2 . . . . . 24 ASN HB2 . 28017 1 230 . 1 . 1 24 24 ASN HB3 H 1 2.75 0.005 . 2 . . . . . 24 ASN HB3 . 28017 1 231 . 1 . 1 24 24 ASN HD21 H 1 7.68 0.005 . 2 . . . . . 24 ASN HD21 . 28017 1 232 . 1 . 1 24 24 ASN HD22 H 1 7.01 0.005 . 2 . . . . . 24 ASN HD22 . 28017 1 233 . 1 . 1 24 24 ASN CA C 13 53.3 0.1 . 1 . . . . . 24 ASN CA . 28017 1 234 . 1 . 1 24 24 ASN CB C 13 38.6 0.1 . 1 . . . . . 24 ASN CB . 28017 1 235 . 1 . 1 24 24 ASN N N 15 119.1 0.15 . 1 . . . . . 24 ASN N . 28017 1 236 . 1 . 1 24 24 ASN ND2 N 15 112.8 0.2 . 1 . . . . . 24 ASN ND2 . 28017 1 237 . 1 . 1 25 25 GLN H H 1 8.51 0.005 . 1 . . . . . 25 GLN H . 28017 1 238 . 1 . 1 25 25 GLN HA H 1 4.29 0.005 . 1 . . . . . 25 GLN HA . 28017 1 239 . 1 . 1 25 25 GLN HB2 H 1 2.13 0.005 . 2 . . . . . 25 GLN HB2 . 28017 1 240 . 1 . 1 25 25 GLN HB3 H 1 1.95 0.005 . 2 . . . . . 25 GLN HB3 . 28017 1 241 . 1 . 1 25 25 GLN HG2 H 1 2.32 0.005 . 2 . . . . . 25 GLN HG2 . 28017 1 242 . 1 . 1 25 25 GLN HG3 H 1 2.32 0.005 . 2 . . . . . 25 GLN HG3 . 28017 1 243 . 1 . 1 25 25 GLN HE21 H 1 7.58 0.005 . 2 . . . . . 25 GLN HE21 . 28017 1 244 . 1 . 1 25 25 GLN HE22 H 1 6.94 0.005 . 2 . . . . . 25 GLN HE22 . 28017 1 245 . 1 . 1 25 25 GLN CA C 13 55.9 0.1 . 1 . . . . . 25 GLN CA . 28017 1 246 . 1 . 1 25 25 GLN CB C 13 29.3 0.1 . 1 . . . . . 25 GLN CB . 28017 1 247 . 1 . 1 25 25 GLN CG C 13 33.6 0.1 . 1 . . . . . 25 GLN CG . 28017 1 248 . 1 . 1 25 25 GLN N N 15 120.8 0.15 . 1 . . . . . 25 GLN N . 28017 1 249 . 1 . 1 25 25 GLN NE2 N 15 112.6 0.2 . 1 . . . . . 25 GLN NE2 . 28017 1 250 . 1 . 1 26 26 ASN H H 1 8.59 0.005 . 1 . . . . . 26 ASN H . 28017 1 251 . 1 . 1 26 26 ASN HA H 1 4.66 0.005 . 1 . . . . . 26 ASN HA . 28017 1 252 . 1 . 1 26 26 ASN HB2 H 1 2.83 0.005 . 2 . . . . . 26 ASN HB2 . 28017 1 253 . 1 . 1 26 26 ASN HB3 H 1 2.75 0.005 . 2 . . . . . 26 ASN HB3 . 28017 1 254 . 1 . 1 26 26 ASN HD21 H 1 7.72 0.005 . 2 . . . . . 26 ASN HD21 . 28017 1 255 . 1 . 1 26 26 ASN HD22 H 1 7.02 0.005 . 2 . . . . . 26 ASN HD22 . 28017 1 256 . 1 . 1 26 26 ASN CA C 13 53.3 0.1 . 1 . . . . . 26 ASN CA . 28017 1 257 . 1 . 1 26 26 ASN CB C 13 38.6 0.1 . 1 . . . . . 26 ASN CB . 28017 1 258 . 1 . 1 26 26 ASN N N 15 119.2 0.15 . 1 . . . . . 26 ASN N . 28017 1 259 . 1 . 1 26 26 ASN ND2 N 15 113.1 0.15 . 1 . . . . . 26 ASN ND2 . 28017 1 260 . 1 . 1 27 27 GLN H H 1 8.51 0.005 . 1 . . . . . 27 GLN H . 28017 1 261 . 1 . 1 27 27 GLN HA H 1 4.34 0.005 . 1 . . . . . 27 GLN HA . 28017 1 262 . 1 . 1 27 27 GLN HB2 H 1 2.13 0.005 . 2 . . . . . 27 GLN HB2 . 28017 1 263 . 1 . 1 27 27 GLN HB3 H 1 1.95 0.005 . 2 . . . . . 27 GLN HB3 . 28017 1 264 . 1 . 1 27 27 GLN HG2 H 1 2.32 0.005 . 2 . . . . . 27 GLN HG2 . 28017 1 265 . 1 . 1 27 27 GLN HG3 H 1 2.32 0.005 . 2 . . . . . 27 GLN HG3 . 28017 1 266 . 1 . 1 27 27 GLN HE21 H 1 7.58 0.005 . 2 . . . . . 27 GLN HE21 . 28017 1 267 . 1 . 1 27 27 GLN HE22 H 1 6.94 0.005 . 2 . . . . . 27 GLN HE22 . 28017 1 268 . 1 . 1 27 27 GLN CA C 13 55.7 0.1 . 1 . . . . . 27 GLN CA . 28017 1 269 . 1 . 1 27 27 GLN CB C 13 29.3 0.1 . 1 . . . . . 27 GLN CB . 28017 1 270 . 1 . 1 27 27 GLN CG C 13 33.6 0.1 . 1 . . . . . 27 GLN CG . 28017 1 271 . 1 . 1 27 27 GLN N N 15 119.9 0.15 . 1 . . . . . 27 GLN N . 28017 1 272 . 1 . 1 27 27 GLN NE2 N 15 112.6 0.1 . 1 . . . . . 27 GLN NE2 . 28017 1 273 . 1 . 1 28 28 GLY H H 1 8.23 0.005 . 1 . . . . . 28 GLY H . 28017 1 274 . 1 . 1 28 28 GLY HA2 H 1 3.74 0.005 . 2 . . . . . 28 GLY HA2 . 28017 1 275 . 1 . 1 28 28 GLY HA3 H 1 3.74 0.005 . 2 . . . . . 28 GLY HA3 . 28017 1 276 . 1 . 1 28 28 GLY CA C 13 45.9 0.1 . 1 . . . . . 28 GLY CA . 28017 1 277 . 1 . 1 28 28 GLY N N 15 116.4 0.15 . 1 . . . . . 28 GLY N . 28017 1 stop_ save_