################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 35001 _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 $chem_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 HSQC' . . . 35001 1 2 '2D 1H-13C HSQC' . . . 35001 1 3 '2D 1H-1H TOCSY' . . . 35001 1 4 '2D 1H-1H ROESY' . . . 35001 1 5 '2D 1H-13C HCQC-TOCSY' . . . 35001 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '13C isotope effect' 'all 13C' 13 78 0.02 35001 1 '15N isotope effect' 'all 15N' 15 117 0.02 35001 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 ILE HA H 1 3.836 0.00 . 1 . . . . A 1 ILE HA . 35001 1 2 . 1 . 1 1 1 ILE HB H 1 1.945 0.00 . 1 . . . . A 1 ILE HB . 35001 1 3 . 1 . 1 1 1 ILE HG12 H 1 1.486 0.00 . . . . . . A 1 ILE HG12 . 35001 1 4 . 1 . 1 1 1 ILE HG13 H 1 1.216 0.00 . . . . . . A 1 ILE HG13 . 35001 1 5 . 1 . 1 1 1 ILE HG21 H 1 0.982 0.00 . 1 . . . . A 1 ILE HG21 . 35001 1 6 . 1 . 1 1 1 ILE HG22 H 1 0.982 0.00 . 1 . . . . A 1 ILE HG22 . 35001 1 7 . 1 . 1 1 1 ILE HG23 H 1 0.982 0.00 . 1 . . . . A 1 ILE HG23 . 35001 1 8 . 1 . 1 1 1 ILE HD11 H 1 0.906 0.00 . 1 . . . . A 1 ILE HD11 . 35001 1 9 . 1 . 1 1 1 ILE HD12 H 1 0.906 0.00 . 1 . . . . A 1 ILE HD12 . 35001 1 10 . 1 . 1 1 1 ILE HD13 H 1 0.906 0.00 . 1 . . . . A 1 ILE HD13 . 35001 1 11 . 1 . 1 1 1 ILE CA C 13 60.373 0.00 . 1 . . . . A 1 ILE CA . 35001 1 12 . 1 . 1 1 1 ILE CB C 13 39.138 0.00 . 1 . . . . A 1 ILE CB . 35001 1 13 . 1 . 1 1 1 ILE CG1 C 13 26.809 0.02 . 1 . . . . A 1 ILE CG1 . 35001 1 14 . 1 . 1 1 1 ILE CG2 C 13 16.774 0.00 . 1 . . . . A 1 ILE CG2 . 35001 1 15 . 1 . 1 1 1 ILE CD1 C 13 13.313 0.00 . 1 . . . . A 1 ILE CD1 . 35001 1 16 . 1 . 1 2 2 ALA H H 1 8.694 0.00 . 1 . . . . A 2 ALA H . 35001 1 17 . 1 . 1 2 2 ALA HA H 1 4.423 0.00 . 1 . . . . A 2 ALA HA . 35001 1 18 . 1 . 1 2 2 ALA HB1 H 1 1.389 0.00 . 1 . . . . A 2 ALA HB1 . 35001 1 19 . 1 . 1 2 2 ALA HB2 H 1 1.389 0.00 . 1 . . . . A 2 ALA HB2 . 35001 1 20 . 1 . 1 2 2 ALA HB3 H 1 1.389 0.00 . 1 . . . . A 2 ALA HB3 . 35001 1 21 . 1 . 1 2 2 ALA CA C 13 52.492 0.00 . 1 . . . . A 2 ALA CA . 35001 1 22 . 1 . 1 2 2 ALA CB C 13 19.212 0.00 . 1 . . . . A 2 ALA CB . 35001 1 23 . 1 . 1 2 2 ALA N N 15 128.740 0.00 . 1 . . . . A 2 ALA N . 35001 1 24 . 1 . 1 3 3 SER H H 1 8.474 0.00 . 1 . . . . A 3 SER H . 35001 1 25 . 1 . 1 3 3 SER HA H 1 4.429 0.00 . 1 . . . . A 3 SER HA . 35001 1 26 . 1 . 1 3 3 SER HB3 H 1 3.851 0.02 . . . . . . A 3 SER HB3 . 35001 1 27 . 1 . 1 3 3 SER CA C 13 58.407 0.00 . 1 . . . . A 3 SER CA . 35001 1 28 . 1 . 1 3 3 SER CB C 13 63.825 0.00 . 1 . . . . A 3 SER CB . 35001 1 29 . 1 . 1 3 3 SER N N 15 116.336 0.00 . 1 . . . . A 3 SER N . 35001 1 30 . 1 . 1 4 4 GLY H H 1 8.489 0.00 . 1 . . . . A 4 GLY H . 35001 1 31 . 1 . 1 4 4 GLY HA2 H 1 3.989 0.01 . 2 . . . . A 4 GLY HA2 . 35001 1 32 . 1 . 1 4 4 GLY HA3 H 1 3.989 0.01 . 2 . . . . A 4 GLY HA3 . 35001 1 33 . 1 . 1 4 4 GLY CA C 13 45.320 0.00 . 1 . . . . A 4 GLY CA . 35001 1 34 . 1 . 1 4 4 GLY N N 15 110.848 0.00 . 1 . . . . A 4 GLY N . 35001 1 35 . 1 . 1 5 5 ARG H H 1 8.344 0.00 . 1 . . . . A 5 ARG H . 35001 1 36 . 1 . 1 5 5 ARG HA H 1 4.399 0.03 . 1 . . . . A 5 ARG HA . 35001 1 37 . 1 . 1 5 5 ARG HB2 H 1 1.743 0.01 . . . . . . A 5 ARG HB2 . 35001 1 38 . 1 . 1 5 5 ARG HB3 H 1 1.867 0.03 . . . . . . A 5 ARG HB3 . 35001 1 39 . 1 . 1 5 5 ARG HG2 H 1 1.607 0.01 . 2 . . . . A 5 ARG HG2 . 35001 1 40 . 1 . 1 5 5 ARG HG3 H 1 1.607 0.01 . 2 . . . . A 5 ARG HG3 . 35001 1 41 . 1 . 1 5 5 ARG HD2 H 1 3.182 0.00 . 2 . . . . A 5 ARG HD2 . 35001 1 42 . 1 . 1 5 5 ARG HD3 H 1 3.182 0.00 . 2 . . . . A 5 ARG HD3 . 35001 1 43 . 1 . 1 5 5 ARG HE H 1 7.184 0.00 . 1 . . . . A 5 ARG HE . 35001 1 44 . 1 . 1 5 5 ARG CA C 13 56.122 0.00 . 1 . . . . A 5 ARG CA . 35001 1 45 . 1 . 1 5 5 ARG CB C 13 30.862 0.00 . 1 . . . . A 5 ARG CB . 35001 1 46 . 1 . 1 5 5 ARG CG C 13 27.155 0.00 . 1 . . . . A 5 ARG CG . 35001 1 47 . 1 . 1 5 5 ARG CD C 13 43.308 0.00 . 1 . . . . A 5 ARG CD . 35001 1 48 . 1 . 1 5 5 ARG N N 15 120.711 0.00 . 1 . . . . A 5 ARG N . 35001 1 49 . 1 . 1 5 5 ARG NE N 15 84.598 0.00 . 1 . . . . A 5 ARG NE . 35001 1 50 . 1 . 1 6 6 THR H H 1 8.218 0.00 . 1 . . . . A 6 THR H . 35001 1 51 . 1 . 1 6 6 THR HA H 1 4.354 0.00 . 1 . . . . A 6 THR HA . 35001 1 52 . 1 . 1 6 6 THR HB H 1 4.232 0.00 . 1 . . . . A 6 THR HB . 35001 1 53 . 1 . 1 6 6 THR HG21 H 1 1.189 0.01 . 1 . . . . A 6 THR HG21 . 35001 1 54 . 1 . 1 6 6 THR HG22 H 1 1.189 0.01 . 1 . . . . A 6 THR HG22 . 35001 1 55 . 1 . 1 6 6 THR HG23 H 1 1.189 0.01 . 1 . . . . A 6 THR HG23 . 35001 1 56 . 1 . 1 6 6 THR CA C 13 61.936 0.00 . 1 . . . . A 6 THR CA . 35001 1 57 . 1 . 1 6 6 THR CB C 13 69.880 0.00 . 1 . . . . A 6 THR CB . 35001 1 58 . 1 . 1 6 6 THR CG2 C 13 21.544 0.00 . 1 . . . . A 6 THR CG2 . 35001 1 59 . 1 . 1 6 6 THR N N 15 114.929 0.00 . 1 . . . . A 6 THR N . 35001 1 60 . 1 . 1 7 7 GLY H H 1 8.445 0.00 . 1 . . . . A 7 GLY H . 35001 1 61 . 1 . 1 7 7 GLY HA2 H 1 3.958 0.00 . 2 . . . . A 7 GLY HA2 . 35001 1 62 . 1 . 1 7 7 GLY HA3 H 1 3.958 0.00 . 2 . . . . A 7 GLY HA3 . 35001 1 63 . 1 . 1 7 7 GLY CA C 13 45.256 0.00 . 1 . . . . A 7 GLY CA . 35001 1 64 . 1 . 1 7 7 GLY N N 15 111.250 0.00 . 1 . . . . A 7 GLY N . 35001 1 65 . 1 . 1 8 8 ARG H H 1 8.248 0.01 . 1 . . . . A 8 ARG H . 35001 1 66 . 1 . 1 8 8 ARG HA H 1 4.302 0.00 . 1 . . . . A 8 ARG HA . 35001 1 67 . 1 . 1 8 8 ARG HB2 H 1 1.734 0.01 . . . . . . A 8 ARG HB2 . 35001 1 68 . 1 . 1 8 8 ARG HB3 H 1 1.815 0.00 . . . . . . A 8 ARG HB3 . 35001 1 69 . 1 . 1 8 8 ARG HG2 H 1 1.600 0.01 . 2 . . . . A 8 ARG HG2 . 35001 1 70 . 1 . 1 8 8 ARG HG3 H 1 1.600 0.01 . 2 . . . . A 8 ARG HG3 . 35001 1 71 . 1 . 1 8 8 ARG HD2 H 1 3.180 0.00 . 2 . . . . A 8 ARG HD2 . 35001 1 72 . 1 . 1 8 8 ARG HD3 H 1 3.180 0.00 . 2 . . . . A 8 ARG HD3 . 35001 1 73 . 1 . 1 8 8 ARG HE H 1 7.179 0.00 . 1 . . . . A 8 ARG HE . 35001 1 74 . 1 . 1 8 8 ARG CA C 13 56.122 0.00 . 1 . . . . A 8 ARG CA . 35001 1 75 . 1 . 1 8 8 ARG CB C 13 30.894 0.03 . 1 . . . . A 8 ARG CB . 35001 1 76 . 1 . 1 8 8 ARG CD C 13 43.308 0.00 . 1 . . . . A 8 ARG CD . 35001 1 77 . 1 . 1 8 8 ARG N N 15 124.381 0.00 . 1 . . . . A 8 ARG N . 35001 1 78 . 1 . 1 8 8 ARG NE N 15 84.598 0.00 . 1 . . . . A 8 ARG NE . 35001 1 79 . 1 . 1 9 9 ARG H H 1 8.519 0.00 . 1 . . . . A 9 ARG H . 35001 1 80 . 1 . 1 9 9 ARG HA H 1 4.304 0.00 . 1 . . . . A 9 ARG HA . 35001 1 81 . 1 . 1 9 9 ARG HB2 H 1 1.735 0.00 . . . . . . A 9 ARG HB2 . 35001 1 82 . 1 . 1 9 9 ARG HB3 H 1 1.815 0.00 . . . . . . A 9 ARG HB3 . 35001 1 83 . 1 . 1 9 9 ARG HG2 H 1 1.600 0.01 . 2 . . . . A 9 ARG HG2 . 35001 1 84 . 1 . 1 9 9 ARG HG3 H 1 1.600 0.01 . 2 . . . . A 9 ARG HG3 . 35001 1 85 . 1 . 1 9 9 ARG HD2 H 1 3.179 0.00 . 2 . . . . A 9 ARG HD2 . 35001 1 86 . 1 . 1 9 9 ARG HD3 H 1 3.179 0.00 . 2 . . . . A 9 ARG HD3 . 35001 1 87 . 1 . 1 9 9 ARG HE H 1 7.179 0.00 . 1 . . . . A 9 ARG HE . 35001 1 88 . 1 . 1 9 9 ARG CA C 13 56.122 0.00 . 1 . . . . A 9 ARG CA . 35001 1 89 . 1 . 1 9 9 ARG CB C 13 30.894 0.03 . 1 . . . . A 9 ARG CB . 35001 1 90 . 1 . 1 9 9 ARG CG C 13 27.155 0.00 . 1 . . . . A 9 ARG CG . 35001 1 91 . 1 . 1 9 9 ARG CD C 13 43.308 0.00 . 1 . . . . A 9 ARG CD . 35001 1 92 . 1 . 1 9 9 ARG N N 15 122.935 0.00 . 1 . . . . A 9 ARG N . 35001 1 93 . 1 . 1 9 9 ARG NE N 15 84.598 0.00 . 1 . . . . A 9 ARG NE . 35001 1 94 . 1 . 1 10 10 ASN H H 1 8.488 0.00 . 1 . . . . A 10 ASN H . 35001 1 95 . 1 . 1 10 10 ASN HA H 1 4.647 0.00 . 1 . . . . A 10 ASN HA . 35001 1 96 . 1 . 1 10 10 ASN HB2 H 1 2.733 0.03 . . . . . . A 10 ASN HB2 . 35001 1 97 . 1 . 1 10 10 ASN HB3 H 1 2.778 0.03 . . . . . . A 10 ASN HB3 . 35001 1 98 . 1 . 1 10 10 ASN HD21 H 1 7.618 0.00 . . . . . . A 10 ASN HD21 . 35001 1 99 . 1 . 1 10 10 ASN HD22 H 1 6.917 0.00 . . . . . . A 10 ASN HD22 . 35001 1 100 . 1 . 1 10 10 ASN CA C 13 53.191 0.00 . 1 . . . . A 10 ASN CA . 35001 1 101 . 1 . 1 10 10 ASN CB C 13 38.983 0.02 . 1 . . . . A 10 ASN CB . 35001 1 102 . 1 . 1 10 10 ASN N N 15 120.234 0.00 . 1 . . . . A 10 ASN N . 35001 1 103 . 1 . 1 10 10 ASN ND2 N 15 113.002 0.00 . 1 . . . . A 10 ASN ND2 . 35001 1 104 . 1 . 1 11 11 ALA H H 1 8.251 0.00 . 1 . . . . A 11 ALA H . 35001 1 105 . 1 . 1 11 11 ALA HA H 1 4.296 0.00 . 1 . . . . A 11 ALA HA . 35001 1 106 . 1 . 1 11 11 ALA HB1 H 1 1.333 0.00 . 1 . . . . A 11 ALA HB1 . 35001 1 107 . 1 . 1 11 11 ALA HB2 H 1 1.333 0.00 . 1 . . . . A 11 ALA HB2 . 35001 1 108 . 1 . 1 11 11 ALA HB3 H 1 1.333 0.00 . 1 . . . . A 11 ALA HB3 . 35001 1 109 . 1 . 1 11 11 ALA CA C 13 52.219 0.00 . 1 . . . . A 11 ALA CA . 35001 1 110 . 1 . 1 11 11 ALA CB C 13 19.414 0.00 . 1 . . . . A 11 ALA CB . 35001 1 111 . 1 . 1 11 11 ALA N N 15 120.940 0.00 . 1 . . . . A 11 ALA N . 35001 1 112 . 1 . 1 12 12 LEU H H 1 8.244 0.00 . 1 . . . . A 12 LEU H . 35001 1 113 . 1 . 1 12 12 LEU HA H 1 4.579 0.00 . 1 . . . . A 12 LEU HA . 35001 1 114 . 1 . 1 12 12 LEU HB2 H 1 1.554 0.01 . 2 . . . . A 12 LEU HB2 . 35001 1 115 . 1 . 1 12 12 LEU HB3 H 1 1.554 0.01 . 2 . . . . A 12 LEU HB3 . 35001 1 116 . 1 . 1 12 12 LEU HG H 1 1.732 0.16 . 1 . . . . A 12 LEU HG . 35001 1 117 . 1 . 1 12 12 LEU HD11 H 1 0.899 0.00 . 2 . . . . A 12 LEU HD11 . 35001 1 118 . 1 . 1 12 12 LEU HD12 H 1 0.899 0.00 . 2 . . . . A 12 LEU HD12 . 35001 1 119 . 1 . 1 12 12 LEU HD13 H 1 0.899 0.00 . 2 . . . . A 12 LEU HD13 . 35001 1 120 . 1 . 1 12 12 LEU HD21 H 1 0.899 0.00 . 2 . . . . A 12 LEU HD21 . 35001 1 121 . 1 . 1 12 12 LEU HD22 H 1 0.899 0.00 . 2 . . . . A 12 LEU HD22 . 35001 1 122 . 1 . 1 12 12 LEU HD23 H 1 0.899 0.00 . 2 . . . . A 12 LEU HD23 . 35001 1 123 . 1 . 1 12 12 LEU CA C 13 53.057 0.00 . 1 . . . . A 12 LEU CA . 35001 1 124 . 1 . 1 12 12 LEU CB C 13 41.608 0.00 . 1 . . . . A 12 LEU CB . 35001 1 125 . 1 . 1 12 12 LEU CG C 13 23.343 0.00 . 1 . . . . A 12 LEU CG . 35001 1 126 . 1 . 1 12 12 LEU CD1 C 13 25.214 0.00 . . . . . . A 12 LEU CD1 . 35001 1 127 . 1 . 1 12 12 LEU CD2 C 13 23.302 0.00 . . . . . . A 12 LEU CD2 . 35001 1 128 . 1 . 1 12 12 LEU N N 15 123.16 . . 1 . . . . A 12 LEU N . 35001 1 129 . 1 . 1 13 13 PRO HA H 1 4.673 0.00 . 1 . . . . A 13 PRO HA . 35001 1 130 . 1 . 1 13 13 PRO HB2 H 1 2.338 0.00 . . . . . . A 13 PRO HB2 . 35001 1 131 . 1 . 1 13 13 PRO HB3 H 1 1.902 0.01 . . . . . . A 13 PRO HB3 . 35001 1 132 . 1 . 1 13 13 PRO HG2 H 1 2.018 0.00 . . . . . . A 13 PRO HG2 . 35001 1 133 . 1 . 1 13 13 PRO HD2 H 1 3.841 0.00 . . . . . . A 13 PRO HD2 . 35001 1 134 . 1 . 1 13 13 PRO HD3 H 1 3.610 0.00 . . . . . . A 13 PRO HD3 . 35001 1 135 . 1 . 1 13 13 PRO CA C 13 61.452 0.00 . 1 . . . . A 13 PRO CA . 35001 1 136 . 1 . 1 13 13 PRO CB C 13 30.830 0.00 . 1 . . . . A 13 PRO CB . 35001 1 137 . 1 . 1 13 13 PRO CG C 13 27.453 0.00 . 1 . . . . A 13 PRO CG . 35001 1 138 . 1 . 1 13 13 PRO CD C 13 50.456 0.03 . 1 . . . . A 13 PRO CD . 35001 1 139 . 1 . 1 14 14 PRO HA H 1 4.403 0.01 . 1 . . . . A 14 PRO HA . 35001 1 140 . 1 . 1 14 14 PRO HB2 H 1 2.281 0.00 . . . . . . A 14 PRO HB2 . 35001 1 141 . 1 . 1 14 14 PRO HB3 H 1 1.899 0.01 . . . . . . A 14 PRO HB3 . 35001 1 142 . 1 . 1 14 14 PRO HG2 H 1 2.014 0.00 . . . . . . A 14 PRO HG2 . 35001 1 143 . 1 . 1 14 14 PRO HD2 H 1 3.786 0.00 . . . . . . A 14 PRO HD2 . 35001 1 144 . 1 . 1 14 14 PRO HD3 H 1 3.629 0.01 . . . . . . A 14 PRO HD3 . 35001 1 145 . 1 . 1 14 14 PRO CA C 13 63.096 0.00 . 1 . . . . A 14 PRO CA . 35001 1 146 . 1 . 1 14 14 PRO CB C 13 31.985 0.09 . 1 . . . . A 14 PRO CB . 35001 1 147 . 1 . 1 14 14 PRO CG C 13 27.453 0.00 . 1 . . . . A 14 PRO CG . 35001 1 148 . 1 . 1 14 14 PRO CD C 13 50.410 0.02 . 1 . . . . A 14 PRO CD . 35001 1 149 . 1 . 1 15 15 GLU H H 1 8.505 0.00 . 1 . . . . A 15 GLU H . 35001 1 150 . 1 . 1 15 15 GLU HA H 1 4.332 0.01 . 1 . . . . A 15 GLU HA . 35001 1 151 . 1 . 1 15 15 GLU HB2 H 1 1.982 0.00 . . . . . . A 15 GLU HB2 . 35001 1 152 . 1 . 1 15 15 GLU HB3 H 1 2.097 0.01 . . . . . . A 15 GLU HB3 . 35001 1 153 . 1 . 1 15 15 GLU HG2 H 1 2.475 0.00 . 2 . . . . A 15 GLU HG2 . 35001 1 154 . 1 . 1 15 15 GLU HG3 H 1 2.475 0.00 . 2 . . . . A 15 GLU HG3 . 35001 1 155 . 1 . 1 15 15 GLU CA C 13 56.122 0.00 . 1 . . . . A 15 GLU CA . 35001 1 156 . 1 . 1 15 15 GLU CB C 13 29.136 0.06 . 1 . . . . A 15 GLU CB . 35001 1 157 . 1 . 1 15 15 GLU CG C 13 33.312 0.00 . 1 . . . . A 15 GLU CG . 35001 1 158 . 1 . 1 15 15 GLU N N 15 120.565 0.00 . 1 . . . . A 15 GLU N . 35001 1 159 . 1 . 1 16 16 SER H H 1 8.360 0.00 . 1 . . . . A 16 SER H . 35001 1 160 . 1 . 1 16 16 SER HA H 1 4.433 0.01 . 1 . . . . A 16 SER HA . 35001 1 161 . 1 . 1 16 16 SER HB3 H 1 3.841 0.01 . . . . . . A 16 SER HB3 . 35001 1 162 . 1 . 1 16 16 SER CA C 13 58.407 0.00 . 1 . . . . A 16 SER CA . 35001 1 163 . 1 . 1 16 16 SER CB C 13 63.825 0.00 . 1 . . . . A 16 SER CB . 35001 1 164 . 1 . 1 16 16 SER N N 15 116.886 0.00 . 1 . . . . A 16 SER N . 35001 1 165 . 1 . 1 17 17 SER H H 1 8.334 0.00 . 1 . . . . A 17 SER H . 35001 1 166 . 1 . 1 17 17 SER HA H 1 4.432 0.00 . 1 . . . . A 17 SER HA . 35001 1 167 . 1 . 1 17 17 SER HB3 H 1 3.839 0.01 . . . . . . A 17 SER HB3 . 35001 1 168 . 1 . 1 17 17 SER CA C 13 58.407 0.00 . 1 . . . . A 17 SER CA . 35001 1 169 . 1 . 1 17 17 SER CB C 13 63.825 0.00 . 1 . . . . A 17 SER CB . 35001 1 170 . 1 . 1 17 17 SER N N 15 117.577 0.00 . 1 . . . . A 17 SER N . 35001 1 171 . 1 . 1 18 18 HIS H H 1 8.422 0.00 . 1 . . . . A 18 HIS H . 35001 1 172 . 1 . 1 18 18 HIS HA H 1 4.722 0.00 . 1 . . . . A 18 HIS HA . 35001 1 173 . 1 . 1 18 18 HIS HB2 H 1 3.265 0.04 . . . . . . A 18 HIS HB2 . 35001 1 174 . 1 . 1 18 18 HIS HB3 H 1 3.208 0.03 . . . . . . A 18 HIS HB3 . 35001 1 175 . 1 . 1 18 18 HIS HD2 H 1 7.287 0.00 . 1 . . . . A 18 HIS HD2 . 35001 1 176 . 1 . 1 18 18 HIS HE1 H 1 8.559 0.00 . 1 . . . . A 18 HIS HE1 . 35001 1 177 . 1 . 1 18 18 HIS CA C 13 55.269 0.00 . 1 . . . . A 18 HIS CA . 35001 1 178 . 1 . 1 18 18 HIS CB C 13 29.252 0.01 . 1 . . . . A 18 HIS CB . 35001 1 179 . 1 . 1 18 18 HIS CD2 C 13 120.245 0.00 . 1 . . . . A 18 HIS CD2 . 35001 1 180 . 1 . 1 18 18 HIS CE1 C 13 135.873 0.00 . 1 . . . . A 18 HIS CE1 . 35001 1 181 . 1 . 1 18 18 HIS N N 15 120.033 0.00 . 1 . . . . A 18 HIS N . 35001 1 182 . 1 . 1 19 19 GLU H H 1 8.327 0.00 . 1 . . . . A 19 GLU H . 35001 1 183 . 1 . 1 19 19 GLU HA H 1 4.277 0.01 . 1 . . . . A 19 GLU HA . 35001 1 184 . 1 . 1 19 19 GLU HB2 H 1 1.927 0.01 . . . . . . A 19 GLU HB2 . 35001 1 185 . 1 . 1 19 19 GLU HB3 H 1 2.142 0.01 . . . . . . A 19 GLU HB3 . 35001 1 186 . 1 . 1 19 19 GLU HG2 H 1 2.410 0.00 . 2 . . . . A 19 GLU HG2 . 35001 1 187 . 1 . 1 19 19 GLU HG3 H 1 2.410 0.00 . 2 . . . . A 19 GLU HG3 . 35001 1 188 . 1 . 1 19 19 GLU CA C 13 56.122 0.00 . 1 . . . . A 19 GLU CA . 35001 1 189 . 1 . 1 19 19 GLU CB C 13 29.201 0.00 . 1 . . . . A 19 GLU CB . 35001 1 190 . 1 . 1 19 19 GLU CG C 13 33.431 0.00 . 1 . . . . A 19 GLU CG . 35001 1 191 . 1 . 1 19 19 GLU N N 15 125.112 0.00 . 1 . . . . A 19 GLU N . 35001 1 stop_ save_