################################### # 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 16025 _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-1H NOESY' . . . 16025 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 $CYANA . . 16025 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 1 1 GLY H H 1 8.379 0.020 . 1 . . . . 31 GLY H . 16025 1 2 . 1 1 1 1 GLY HA2 H 1 3.912 0.020 . 1 . . . . 31 GLY HA2 . 16025 1 3 . 1 1 1 1 GLY HA3 H 1 3.912 0.020 . 1 . . . . 31 GLY HA3 . 16025 1 4 . 1 1 1 1 GLY N N 15 108.562 0.400 . 1 . . . . 31 GLY N . 16025 1 5 . 1 1 2 2 GLU H H 1 8.239 0.020 . 1 . . . . 32 GLU H . 16025 1 6 . 1 1 2 2 GLU HA H 1 4.219 0.020 . 1 . . . . 32 GLU HA . 16025 1 7 . 1 1 2 2 GLU HB2 H 1 1.323 0.020 . 1 . . . . 32 GLU HB2 . 16025 1 8 . 1 1 2 2 GLU HB3 H 1 1.323 0.020 . 1 . . . . 32 GLU HB3 . 16025 1 9 . 1 1 2 2 GLU HG2 H 1 1.757 0.020 . 2 . . . . 32 GLU HG2 . 16025 1 10 . 1 1 2 2 GLU HG3 H 1 2.065 0.020 . 2 . . . . 32 GLU HG3 . 16025 1 11 . 1 1 2 2 GLU N N 15 120.194 0.400 . 1 . . . . 32 GLU N . 16025 1 12 . 1 1 3 3 HIS H H 1 8.495 0.020 . 1 . . . . 33 HIS H . 16025 1 13 . 1 1 3 3 HIS HA H 1 4.786 0.020 . 1 . . . . 33 HIS HA . 16025 1 14 . 1 1 3 3 HIS HB2 H 1 2.854 0.020 . 1 . . . . 33 HIS HB2 . 16025 1 15 . 1 1 3 3 HIS HB3 H 1 2.854 0.020 . 1 . . . . 33 HIS HB3 . 16025 1 16 . 1 1 3 3 HIS HD2 H 1 7.116 0.020 . 1 . . . . 33 HIS HD2 . 16025 1 17 . 1 1 3 3 HIS HE1 H 1 7.938 0.020 . 1 . . . . 33 HIS HE1 . 16025 1 18 . 1 1 3 3 HIS N N 15 118.099 0.400 . 1 . . . . 33 HIS N . 16025 1 19 . 1 1 4 4 THR H H 1 9.623 0.020 . 1 . . . . 34 THR H . 16025 1 20 . 1 1 4 4 THR HA H 1 4.376 0.020 . 1 . . . . 34 THR HA . 16025 1 21 . 1 1 4 4 THR HB H 1 3.768 0.020 . 1 . . . . 34 THR HB . 16025 1 22 . 1 1 4 4 THR HG21 H 1 0.961 0.020 . 1 . . . . 34 THR HG21 . 16025 1 23 . 1 1 4 4 THR HG22 H 1 0.961 0.020 . 1 . . . . 34 THR HG22 . 16025 1 24 . 1 1 4 4 THR HG23 H 1 0.961 0.020 . 1 . . . . 34 THR HG23 . 16025 1 25 . 1 1 4 4 THR N N 15 123.055 0.400 . 1 . . . . 34 THR N . 16025 1 26 . 1 1 5 5 THR H H 1 8.303 0.020 . 1 . . . . 35 THR H . 16025 1 27 . 1 1 5 5 THR HA H 1 4.567 0.020 . 1 . . . . 35 THR HA . 16025 1 28 . 1 1 5 5 THR HB H 1 3.933 0.020 . 1 . . . . 35 THR HB . 16025 1 29 . 1 1 5 5 THR HG21 H 1 0.388 0.020 . 1 . . . . 35 THR HG21 . 16025 1 30 . 1 1 5 5 THR HG22 H 1 0.388 0.020 . 1 . . . . 35 THR HG22 . 16025 1 31 . 1 1 5 5 THR HG23 H 1 0.388 0.020 . 1 . . . . 35 THR HG23 . 16025 1 32 . 1 1 5 5 THR N N 15 112.573 0.400 . 1 . . . . 35 THR N . 16025 1 33 . 1 1 6 6 CYS H H 1 8.310 0.020 . 1 . . . . 36 CYS H . 16025 1 34 . 1 1 6 6 CYS HA H 1 4.044 0.020 . 1 . . . . 36 CYS HA . 16025 1 35 . 1 1 6 6 CYS HB2 H 1 3.088 0.020 . 2 . . . . 36 CYS HB2 . 16025 1 36 . 1 1 6 6 CYS HB3 H 1 2.884 0.020 . 2 . . . . 36 CYS HB3 . 16025 1 37 . 1 1 6 6 CYS N N 15 119.577 0.400 . 1 . . . . 36 CYS N . 16025 1 38 . 1 1 7 7 GLY H H 1 9.375 0.020 . 1 . . . . 37 GLY H . 16025 1 39 . 1 1 7 7 GLY HA2 H 1 3.892 0.020 . 2 . . . . 37 GLY HA2 . 16025 1 40 . 1 1 7 7 GLY HA3 H 1 3.974 0.020 . 2 . . . . 37 GLY HA3 . 16025 1 41 . 1 1 7 7 GLY N N 15 123.215 0.400 . 1 . . . . 37 GLY N . 16025 1 42 . 1 1 8 8 CYS H H 1 7.181 0.020 . 1 . . . . 38 CYS H . 16025 1 43 . 1 1 8 8 CYS HA H 1 4.507 0.020 . 1 . . . . 38 CYS HA . 16025 1 44 . 1 1 8 8 CYS HB2 H 1 2.932 0.020 . 2 . . . . 38 CYS HB2 . 16025 1 45 . 1 1 8 8 CYS HB3 H 1 3.213 0.020 . 2 . . . . 38 CYS HB3 . 16025 1 46 . 1 1 8 8 CYS N N 15 117.576 0.400 . 1 . . . . 38 CYS N . 16025 1 47 . 1 1 9 9 GLY H H 1 8.218 0.020 . 1 . . . . 39 GLY H . 16025 1 48 . 1 1 9 9 GLY HA2 H 1 4.453 0.020 . 1 . . . . 39 GLY HA2 . 16025 1 49 . 1 1 9 9 GLY HA3 H 1 4.453 0.020 . 1 . . . . 39 GLY HA3 . 16025 1 50 . 1 1 9 9 GLY N N 15 111.592 0.400 . 1 . . . . 39 GLY N . 16025 1 51 . 1 1 10 10 GLU H H 1 8.189 0.020 . 1 . . . . 40 GLU H . 16025 1 52 . 1 1 10 10 GLU HA H 1 4.453 0.020 . 1 . . . . 40 GLU HA . 16025 1 53 . 1 1 10 10 GLU HB2 H 1 2.009 0.020 . 2 . . . . 40 GLU HB2 . 16025 1 54 . 1 1 10 10 GLU HB3 H 1 1.900 0.020 . 2 . . . . 40 GLU HB3 . 16025 1 55 . 1 1 10 10 GLU HG2 H 1 2.207 0.020 . 2 . . . . 40 GLU HG2 . 16025 1 56 . 1 1 10 10 GLU HG3 H 1 2.372 0.020 . 2 . . . . 40 GLU HG3 . 16025 1 57 . 1 1 10 10 GLU N N 15 122.585 0.400 . 1 . . . . 40 GLU N . 16025 1 58 . 1 1 11 11 HIS H H 1 9.047 0.020 . 1 . . . . 41 HIS H . 16025 1 59 . 1 1 11 11 HIS HA H 1 4.348 0.020 . 1 . . . . 41 HIS HA . 16025 1 60 . 1 1 11 11 HIS HB2 H 1 2.971 0.020 . 2 . . . . 41 HIS HB2 . 16025 1 61 . 1 1 11 11 HIS HB3 H 1 2.755 0.020 . 2 . . . . 41 HIS HB3 . 16025 1 62 . 1 1 11 11 HIS HD2 H 1 7.155 0.020 . 1 . . . . 41 HIS HD2 . 16025 1 63 . 1 1 11 11 HIS HE1 H 1 7.263 0.020 . 1 . . . . 41 HIS HE1 . 16025 1 64 . 1 1 11 11 HIS N N 15 123.245 0.400 . 1 . . . . 41 HIS N . 16025 1 65 . 1 1 12 12 CYS H H 1 8.400 0.020 . 1 . . . . 42 CYS H . 16025 1 66 . 1 1 12 12 CYS HA H 1 4.392 0.020 . 1 . . . . 42 CYS HA . 16025 1 67 . 1 1 12 12 CYS HB2 H 1 2.801 0.020 . 2 . . . . 42 CYS HB2 . 16025 1 68 . 1 1 12 12 CYS HB3 H 1 2.978 0.020 . 2 . . . . 42 CYS HB3 . 16025 1 69 . 1 1 12 12 CYS N N 15 125.049 0.400 . 1 . . . . 42 CYS N . 16025 1 70 . 1 1 13 13 GLY H H 1 8.437 0.020 . 1 . . . . 43 GLY H . 16025 1 71 . 1 1 13 13 GLY HA2 H 1 3.724 0.020 . 2 . . . . 43 GLY HA2 . 16025 1 72 . 1 1 13 13 GLY HA3 H 1 3.827 0.020 . 2 . . . . 43 GLY HA3 . 16025 1 73 . 1 1 13 13 GLY N N 15 113.590 0.400 . 1 . . . . 43 GLY N . 16025 1 74 . 1 1 14 14 CYS H H 1 7.420 0.020 . 1 . . . . 44 CYS H . 16025 1 75 . 1 1 14 14 CYS HA H 1 4.299 0.020 . 1 . . . . 44 CYS HA . 16025 1 76 . 1 1 14 14 CYS HB2 H 1 2.957 0.020 . 1 . . . . 44 CYS HB2 . 16025 1 77 . 1 1 14 14 CYS HB3 H 1 2.957 0.020 . 1 . . . . 44 CYS HB3 . 16025 1 78 . 1 1 14 14 CYS N N 15 118.586 0.400 . 1 . . . . 44 CYS N . 16025 1 79 . 1 1 15 15 ASN H H 1 7.169 0.020 . 1 . . . . 45 ASN H . 16025 1 80 . 1 1 15 15 ASN HA H 1 4.826 0.020 . 1 . . . . 45 ASN HA . 16025 1 81 . 1 1 15 15 ASN HB2 H 1 2.431 0.020 . 1 . . . . 45 ASN HB2 . 16025 1 82 . 1 1 15 15 ASN HB3 H 1 2.431 0.020 . 1 . . . . 45 ASN HB3 . 16025 1 83 . 1 1 15 15 ASN HD21 H 1 7.415 0.020 . 2 . . . . 45 ASN HD21 . 16025 1 84 . 1 1 15 15 ASN HD22 H 1 6.765 0.020 . 2 . . . . 45 ASN HD22 . 16025 1 85 . 1 1 15 15 ASN N N 15 120.140 0.400 . 1 . . . . 45 ASN N . 16025 1 86 . 1 1 16 16 PRO HA H 1 4.103 0.020 . 1 . . . . 46 PRO HA . 16025 1 87 . 1 1 16 16 PRO HB2 H 1 1.943 0.020 . 2 . . . . 46 PRO HB2 . 16025 1 88 . 1 1 16 16 PRO HB3 H 1 2.185 0.020 . 2 . . . . 46 PRO HB3 . 16025 1 89 . 1 1 16 16 PRO HD2 H 1 3.364 0.020 . 2 . . . . 46 PRO HD2 . 16025 1 90 . 1 1 16 16 PRO HD3 H 1 3.487 0.020 . 2 . . . . 46 PRO HD3 . 16025 1 91 . 1 1 16 16 PRO HG2 H 1 1.753 0.020 . 2 . . . . 46 PRO HG2 . 16025 1 92 . 1 1 16 16 PRO HG3 H 1 1.847 0.020 . 2 . . . . 46 PRO HG3 . 16025 1 93 . 1 1 17 17 CYS H H 1 8.576 0.020 . 1 . . . . 47 CYS H . 16025 1 94 . 1 1 17 17 CYS HA H 1 4.428 0.020 . 1 . . . . 47 CYS HA . 16025 1 95 . 1 1 17 17 CYS HB2 H 1 3.115 0.020 . 2 . . . . 47 CYS HB2 . 16025 1 96 . 1 1 17 17 CYS HB3 H 1 3.703 0.020 . 2 . . . . 47 CYS HB3 . 16025 1 97 . 1 1 17 17 CYS N N 15 124.271 0.400 . 1 . . . . 47 CYS N . 16025 1 98 . 1 1 18 18 ALA H H 1 8.960 0.020 . 1 . . . . 48 ALA H . 16025 1 99 . 1 1 18 18 ALA HA H 1 4.157 0.020 . 1 . . . . 48 ALA HA . 16025 1 100 . 1 1 18 18 ALA HB1 H 1 1.390 0.020 . 1 . . . . 48 ALA HB1 . 16025 1 101 . 1 1 18 18 ALA HB2 H 1 1.390 0.020 . 1 . . . . 48 ALA HB2 . 16025 1 102 . 1 1 18 18 ALA HB3 H 1 1.390 0.020 . 1 . . . . 48 ALA HB3 . 16025 1 103 . 1 1 18 18 ALA N N 15 133.579 0.400 . 1 . . . . 48 ALA N . 16025 1 104 . 1 1 19 19 CYS H H 1 9.093 0.020 . 1 . . . . 49 CYS H . 16025 1 105 . 1 1 19 19 CYS HA H 1 4.413 0.020 . 1 . . . . 49 CYS HA . 16025 1 106 . 1 1 19 19 CYS HB2 H 1 2.933 0.020 . 2 . . . . 49 CYS HB2 . 16025 1 107 . 1 1 19 19 CYS HB3 H 1 3.330 0.020 . 2 . . . . 49 CYS HB3 . 16025 1 108 . 1 1 19 19 CYS N N 15 119.595 0.400 . 1 . . . . 49 CYS N . 16025 1 109 . 1 1 20 20 GLY H H 1 7.744 0.020 . 1 . . . . 50 GLY H . 16025 1 110 . 1 1 20 20 GLY HA2 H 1 4.099 0.020 . 2 . . . . 50 GLY HA2 . 16025 1 111 . 1 1 20 20 GLY HA3 H 1 3.748 0.020 . 2 . . . . 50 GLY HA3 . 16025 1 112 . 1 1 20 20 GLY N N 15 110.042 0.400 . 1 . . . . 50 GLY N . 16025 1 113 . 1 1 21 21 ARG H H 1 8.368 0.020 . 1 . . . . 51 ARG H . 16025 1 114 . 1 1 21 21 ARG HA H 1 4.072 0.020 . 1 . . . . 51 ARG HA . 16025 1 115 . 1 1 21 21 ARG HB2 H 1 1.463 0.020 . 2 . . . . 51 ARG HB2 . 16025 1 116 . 1 1 21 21 ARG HB3 H 1 1.284 0.020 . 2 . . . . 51 ARG HB3 . 16025 1 117 . 1 1 21 21 ARG HD2 H 1 2.557 0.020 . 1 . . . . 51 ARG HD2 . 16025 1 118 . 1 1 21 21 ARG HD3 H 1 2.557 0.020 . 1 . . . . 51 ARG HD3 . 16025 1 119 . 1 1 21 21 ARG HG2 H 1 1.142 0.020 . 1 . . . . 51 ARG HG2 . 16025 1 120 . 1 1 21 21 ARG HG3 H 1 1.142 0.020 . 1 . . . . 51 ARG HG3 . 16025 1 121 . 1 1 21 21 ARG N N 15 123.936 0.400 . 1 . . . . 51 ARG N . 16025 1 122 . 1 1 22 22 GLU H H 1 8.479 0.020 . 1 . . . . 52 GLU H . 16025 1 123 . 1 1 22 22 GLU HA H 1 4.270 0.020 . 1 . . . . 52 GLU HA . 16025 1 124 . 1 1 22 22 GLU HB2 H 1 1.804 0.020 . 2 . . . . 52 GLU HB2 . 16025 1 125 . 1 1 22 22 GLU HB3 H 1 1.983 0.020 . 2 . . . . 52 GLU HB3 . 16025 1 126 . 1 1 22 22 GLU HG2 H 1 2.130 0.020 . 2 . . . . 52 GLU HG2 . 16025 1 127 . 1 1 22 22 GLU HG3 H 1 2.184 0.020 . 2 . . . . 52 GLU HG3 . 16025 1 128 . 1 1 22 22 GLU N N 15 125.329 0.400 . 1 . . . . 52 GLU N . 16025 1 129 . 1 1 23 23 GLY H H 1 8.279 0.020 . 1 . . . . 53 GLY H . 16025 1 130 . 1 1 23 23 GLY HA2 H 1 4.082 0.020 . 2 . . . . 53 GLY HA2 . 16025 1 131 . 1 1 23 23 GLY HA3 H 1 3.834 0.020 . 2 . . . . 53 GLY HA3 . 16025 1 132 . 1 1 23 23 GLY N N 15 109.702 0.400 . 1 . . . . 53 GLY N . 16025 1 133 . 1 1 24 24 THR H H 1 8.436 0.020 . 1 . . . . 54 THR H . 16025 1 134 . 1 1 24 24 THR HA H 1 4.500 0.020 . 1 . . . . 54 THR HA . 16025 1 135 . 1 1 24 24 THR HB H 1 3.884 0.020 . 1 . . . . 54 THR HB . 16025 1 136 . 1 1 24 24 THR HG21 H 1 1.115 0.020 . 1 . . . . 54 THR HG21 . 16025 1 137 . 1 1 24 24 THR HG22 H 1 1.115 0.020 . 1 . . . . 54 THR HG22 . 16025 1 138 . 1 1 24 24 THR HG23 H 1 1.115 0.020 . 1 . . . . 54 THR HG23 . 16025 1 139 . 1 1 24 24 THR N N 15 118.091 0.400 . 1 . . . . 54 THR N . 16025 1 140 . 1 1 25 25 PRO HA H 1 3.884 0.020 . 1 . . . . 55 PRO HA . 16025 1 141 . 1 1 25 25 PRO HB2 H 1 2.031 0.020 . 2 . . . . 55 PRO HB2 . 16025 1 142 . 1 1 25 25 PRO HB3 H 1 2.297 0.020 . 2 . . . . 55 PRO HB3 . 16025 1 143 . 1 1 25 25 PRO HD2 H 1 3.567 0.020 . 1 . . . . 55 PRO HD2 . 16025 1 144 . 1 1 25 25 PRO HD3 H 1 3.567 0.020 . 1 . . . . 55 PRO HD3 . 16025 1 145 . 1 1 25 25 PRO HG2 H 1 1.791 0.020 . 1 . . . . 55 PRO HG2 . 16025 1 146 . 1 1 25 25 PRO HG3 H 1 1.791 0.020 . 1 . . . . 55 PRO HG3 . 16025 1 147 . 1 1 26 26 SER H H 1 8.916 0.020 . 1 . . . . 56 SER H . 16025 1 148 . 1 1 26 26 SER HA H 1 4.182 0.020 . 1 . . . . 56 SER HA . 16025 1 149 . 1 1 26 26 SER HB2 H 1 3.777 0.020 . 1 . . . . 56 SER HB2 . 16025 1 150 . 1 1 26 26 SER HB3 H 1 3.777 0.020 . 1 . . . . 56 SER HB3 . 16025 1 151 . 1 1 26 26 SER N N 15 119.151 0.400 . 1 . . . . 56 SER N . 16025 1 152 . 1 1 27 27 GLY H H 1 8.936 0.020 . 1 . . . . 57 GLY H . 16025 1 153 . 1 1 27 27 GLY HA2 H 1 3.705 0.020 . 2 . . . . 57 GLY HA2 . 16025 1 154 . 1 1 27 27 GLY HA3 H 1 3.875 0.020 . 2 . . . . 57 GLY HA3 . 16025 1 155 . 1 1 27 27 GLY N N 15 111.837 0.400 . 1 . . . . 57 GLY N . 16025 1 156 . 1 1 28 28 ARG H H 1 7.970 0.020 . 1 . . . . 58 ARG H . 16025 1 157 . 1 1 28 28 ARG HA H 1 4.024 0.020 . 1 . . . . 58 ARG HA . 16025 1 158 . 1 1 28 28 ARG HB2 H 1 1.551 0.020 . 2 . . . . 58 ARG HB2 . 16025 1 159 . 1 1 28 28 ARG HB3 H 1 1.692 0.020 . 2 . . . . 58 ARG HB3 . 16025 1 160 . 1 1 28 28 ARG HD2 H 1 3.008 0.020 . 1 . . . . 58 ARG HD2 . 16025 1 161 . 1 1 28 28 ARG HD3 H 1 3.008 0.020 . 1 . . . . 58 ARG HD3 . 16025 1 162 . 1 1 28 28 ARG HG2 H 1 1.439 0.020 . 1 . . . . 58 ARG HG2 . 16025 1 163 . 1 1 28 28 ARG HG3 H 1 1.439 0.020 . 1 . . . . 58 ARG HG3 . 16025 1 164 . 1 1 28 28 ARG N N 15 120.058 0.400 . 1 . . . . 58 ARG N . 16025 1 165 . 1 1 29 29 ALA H H 1 8.507 0.020 . 1 . . . . 59 ALA H . 16025 1 166 . 1 1 29 29 ALA HA H 1 4.073 0.020 . 1 . . . . 59 ALA HA . 16025 1 167 . 1 1 29 29 ALA HB1 H 1 1.289 0.020 . 1 . . . . 59 ALA HB1 . 16025 1 168 . 1 1 29 29 ALA HB2 H 1 1.289 0.020 . 1 . . . . 59 ALA HB2 . 16025 1 169 . 1 1 29 29 ALA HB3 H 1 1.289 0.020 . 1 . . . . 59 ALA HB3 . 16025 1 170 . 1 1 29 29 ALA N N 15 125.094 0.400 . 1 . . . . 59 ALA N . 16025 1 171 . 1 1 30 30 ASN H H 1 8.497 0.020 . 1 . . . . 60 ASN H . 16025 1 172 . 1 1 30 30 ASN HA H 1 4.372 0.020 . 1 . . . . 60 ASN HA . 16025 1 173 . 1 1 30 30 ASN HB2 H 1 2.792 0.020 . 2 . . . . 60 ASN HB2 . 16025 1 174 . 1 1 30 30 ASN HB3 H 1 2.927 0.020 . 2 . . . . 60 ASN HB3 . 16025 1 175 . 1 1 30 30 ASN HD21 H 1 7.494 0.020 . 2 . . . . 60 ASN HD21 . 16025 1 176 . 1 1 30 30 ASN HD22 H 1 6.806 0.020 . 2 . . . . 60 ASN HD22 . 16025 1 177 . 1 1 30 30 ASN N N 15 113.096 0.400 . 1 . . . . 60 ASN N . 16025 1 178 . 1 1 31 31 ARG H H 1 7.205 0.020 . 1 . . . . 61 ARG H . 16025 1 179 . 1 1 31 31 ARG HA H 1 4.885 0.020 . 1 . . . . 61 ARG HA . 16025 1 180 . 1 1 31 31 ARG HB2 H 1 1.623 0.020 . 2 . . . . 61 ARG HB2 . 16025 1 181 . 1 1 31 31 ARG HB3 H 1 1.859 0.020 . 2 . . . . 61 ARG HB3 . 16025 1 182 . 1 1 31 31 ARG HD2 H 1 3.160 0.020 . 1 . . . . 61 ARG HD2 . 16025 1 183 . 1 1 31 31 ARG HD3 H 1 3.160 0.020 . 1 . . . . 61 ARG HD3 . 16025 1 184 . 1 1 31 31 ARG HG2 H 1 1.283 0.020 . 1 . . . . 61 ARG HG2 . 16025 1 185 . 1 1 31 31 ARG HG3 H 1 1.283 0.020 . 1 . . . . 61 ARG HG3 . 16025 1 186 . 1 1 31 31 ARG N N 15 116.323 0.400 . 1 . . . . 61 ARG N . 16025 1 187 . 1 1 32 32 ARG H H 1 8.215 0.020 . 1 . . . . 62 ARG H . 16025 1 188 . 1 1 32 32 ARG HA H 1 3.983 0.020 . 1 . . . . 62 ARG HA . 16025 1 189 . 1 1 32 32 ARG HB2 H 1 1.694 0.020 . 2 . . . . 62 ARG HB2 . 16025 1 190 . 1 1 32 32 ARG HB3 H 1 1.756 0.020 . 2 . . . . 62 ARG HB3 . 16025 1 191 . 1 1 32 32 ARG HD2 H 1 3.131 0.020 . 1 . . . . 62 ARG HD2 . 16025 1 192 . 1 1 32 32 ARG HD3 H 1 3.131 0.020 . 1 . . . . 62 ARG HD3 . 16025 1 193 . 1 1 32 32 ARG HG2 H 1 3.510 0.020 . 1 . . . . 62 ARG HG2 . 16025 1 194 . 1 1 32 32 ARG HG3 H 1 3.510 0.020 . 1 . . . . 62 ARG HG3 . 16025 1 195 . 1 1 32 32 ARG N N 15 121.556 0.400 . 1 . . . . 62 ARG N . 16025 1 196 . 1 1 33 33 ALA H H 1 8.569 0.020 . 1 . . . . 63 ALA H . 16025 1 197 . 1 1 33 33 ALA HA H 1 3.979 0.020 . 1 . . . . 63 ALA HA . 16025 1 198 . 1 1 33 33 ALA HB1 H 1 1.306 0.020 . 1 . . . . 63 ALA HB1 . 16025 1 199 . 1 1 33 33 ALA HB2 H 1 1.306 0.020 . 1 . . . . 63 ALA HB2 . 16025 1 200 . 1 1 33 33 ALA HB3 H 1 1.306 0.020 . 1 . . . . 63 ALA HB3 . 16025 1 201 . 1 1 33 33 ALA N N 15 125.837 0.400 . 1 . . . . 63 ALA N . 16025 1 202 . 1 1 34 34 ASN H H 1 7.992 0.020 . 1 . . . . 64 ASN H . 16025 1 203 . 1 1 34 34 ASN HA H 1 4.455 0.020 . 1 . . . . 64 ASN HA . 16025 1 204 . 1 1 34 34 ASN HB2 H 1 2.715 0.020 . 2 . . . . 64 ASN HB2 . 16025 1 205 . 1 1 34 34 ASN HB3 H 1 2.990 0.020 . 2 . . . . 64 ASN HB3 . 16025 1 206 . 1 1 34 34 ASN HD21 H 1 7.525 0.020 . 2 . . . . 64 ASN HD21 . 16025 1 207 . 1 1 34 34 ASN HD22 H 1 6.739 0.020 . 2 . . . . 64 ASN HD22 . 16025 1 208 . 1 1 34 34 ASN N N 15 112.193 0.400 . 1 . . . . 64 ASN N . 16025 1 209 . 1 1 35 35 CYS H H 1 7.716 0.020 . 1 . . . . 65 CYS H . 16025 1 210 . 1 1 35 35 CYS HA H 1 4.579 0.020 . 1 . . . . 65 CYS HA . 16025 1 211 . 1 1 35 35 CYS HB2 H 1 2.898 0.020 . 2 . . . . 65 CYS HB2 . 16025 1 212 . 1 1 35 35 CYS HB3 H 1 3.009 0.020 . 2 . . . . 65 CYS HB3 . 16025 1 213 . 1 1 35 35 CYS N N 15 122.640 0.400 . 1 . . . . 65 CYS N . 16025 1 214 . 1 1 36 36 SER H H 1 9.392 0.020 . 1 . . . . 66 SER H . 16025 1 215 . 1 1 36 36 SER HA H 1 4.764 0.020 . 1 . . . . 66 SER HA . 16025 1 216 . 1 1 36 36 SER HB2 H 1 3.500 0.020 . 2 . . . . 66 SER HB2 . 16025 1 217 . 1 1 36 36 SER HB3 H 1 4.123 0.020 . 2 . . . . 66 SER HB3 . 16025 1 218 . 1 1 36 36 SER N N 15 129.091 0.400 . 1 . . . . 66 SER N . 16025 1 219 . 1 1 37 37 CYS H H 1 9.652 0.020 . 1 . . . . 67 CYS H . 16025 1 220 . 1 1 37 37 CYS HA H 1 3.926 0.020 . 1 . . . . 67 CYS HA . 16025 1 221 . 1 1 37 37 CYS HB2 H 1 2.778 0.020 . 2 . . . . 67 CYS HB2 . 16025 1 222 . 1 1 37 37 CYS HB3 H 1 2.909 0.020 . 2 . . . . 67 CYS HB3 . 16025 1 223 . 1 1 37 37 CYS N N 15 125.082 0.400 . 1 . . . . 67 CYS N . 16025 1 224 . 1 1 38 38 GLY H H 1 9.023 0.020 . 1 . . . . 68 GLY H . 16025 1 225 . 1 1 38 38 GLY HA2 H 1 3.754 0.020 . 2 . . . . 68 GLY HA2 . 16025 1 226 . 1 1 38 38 GLY HA3 H 1 4.221 0.020 . 2 . . . . 68 GLY HA3 . 16025 1 227 . 1 1 38 38 GLY N N 15 109.840 0.400 . 1 . . . . 68 GLY N . 16025 1 228 . 1 1 39 39 ALA H H 1 8.537 0.020 . 1 . . . . 69 ALA H . 16025 1 229 . 1 1 39 39 ALA HA H 1 3.726 0.020 . 1 . . . . 69 ALA HA . 16025 1 230 . 1 1 39 39 ALA HB1 H 1 1.295 0.020 . 1 . . . . 69 ALA HB1 . 16025 1 231 . 1 1 39 39 ALA HB2 H 1 1.295 0.020 . 1 . . . . 69 ALA HB2 . 16025 1 232 . 1 1 39 39 ALA HB3 H 1 1.295 0.020 . 1 . . . . 69 ALA HB3 . 16025 1 233 . 1 1 39 39 ALA N N 15 121.278 0.400 . 1 . . . . 69 ALA N . 16025 1 234 . 1 1 40 40 ALA H H 1 8.170 0.020 . 1 . . . . 70 ALA H . 16025 1 235 . 1 1 40 40 ALA HA H 1 4.189 0.020 . 1 . . . . 70 ALA HA . 16025 1 236 . 1 1 40 40 ALA HB1 H 1 1.229 0.020 . 1 . . . . 70 ALA HB1 . 16025 1 237 . 1 1 40 40 ALA HB2 H 1 1.229 0.020 . 1 . . . . 70 ALA HB2 . 16025 1 238 . 1 1 40 40 ALA HB3 H 1 1.229 0.020 . 1 . . . . 70 ALA HB3 . 16025 1 239 . 1 1 40 40 ALA N N 15 117.964 0.400 . 1 . . . . 70 ALA N . 16025 1 240 . 1 1 41 41 CYS H H 1 6.933 0.020 . 1 . . . . 71 CYS H . 16025 1 241 . 1 1 41 41 CYS HA H 1 3.880 0.020 . 1 . . . . 71 CYS HA . 16025 1 242 . 1 1 41 41 CYS HB2 H 1 2.741 0.020 . 1 . . . . 71 CYS HB2 . 16025 1 243 . 1 1 41 41 CYS HB3 H 1 2.741 0.020 . 1 . . . . 71 CYS HB3 . 16025 1 244 . 1 1 41 41 CYS N N 15 121.577 0.400 . 1 . . . . 71 CYS N . 16025 1 245 . 1 1 42 42 ASN H H 1 8.623 0.020 . 1 . . . . 72 ASN H . 16025 1 246 . 1 1 42 42 ASN HA H 1 4.885 0.020 . 1 . . . . 72 ASN HA . 16025 1 247 . 1 1 42 42 ASN HB2 H 1 2.690 0.020 . 1 . . . . 72 ASN HB2 . 16025 1 248 . 1 1 42 42 ASN HB3 H 1 2.690 0.020 . 1 . . . . 72 ASN HB3 . 16025 1 249 . 1 1 42 42 ASN HD21 H 1 7.394 0.020 . 2 . . . . 72 ASN HD21 . 16025 1 250 . 1 1 42 42 ASN HD22 H 1 6.686 0.020 . 2 . . . . 72 ASN HD22 . 16025 1 251 . 1 1 42 42 ASN N N 15 128.800 0.400 . 1 . . . . 72 ASN N . 16025 1 252 . 1 1 43 43 CYS H H 1 8.668 0.020 . 1 . . . . 73 CYS H . 16025 1 253 . 1 1 43 43 CYS HA H 1 4.035 0.020 . 1 . . . . 73 CYS HA . 16025 1 254 . 1 1 43 43 CYS HB2 H 1 2.730 0.020 . 2 . . . . 73 CYS HB2 . 16025 1 255 . 1 1 43 43 CYS HB3 H 1 2.855 0.020 . 2 . . . . 73 CYS HB3 . 16025 1 256 . 1 1 43 43 CYS N N 15 126.110 0.400 . 1 . . . . 73 CYS N . 16025 1 257 . 1 1 44 44 ALA H H 1 9.196 0.020 . 1 . . . . 74 ALA H . 16025 1 258 . 1 1 44 44 ALA HA H 1 4.099 0.020 . 1 . . . . 74 ALA HA . 16025 1 259 . 1 1 44 44 ALA HB1 H 1 1.409 0.020 . 1 . . . . 74 ALA HB1 . 16025 1 260 . 1 1 44 44 ALA HB2 H 1 1.409 0.020 . 1 . . . . 74 ALA HB2 . 16025 1 261 . 1 1 44 44 ALA HB3 H 1 1.409 0.020 . 1 . . . . 74 ALA HB3 . 16025 1 262 . 1 1 44 44 ALA N N 15 133.819 0.400 . 1 . . . . 74 ALA N . 16025 1 263 . 1 1 45 45 SER H H 1 8.371 0.020 . 1 . . . . 75 SER H . 16025 1 264 . 1 1 45 45 SER HA H 1 4.314 0.020 . 1 . . . . 75 SER HA . 16025 1 265 . 1 1 45 45 SER HB2 H 1 3.818 0.020 . 1 . . . . 75 SER HB2 . 16025 1 266 . 1 1 45 45 SER HB3 H 1 3.818 0.020 . 1 . . . . 75 SER HB3 . 16025 1 267 . 1 1 45 45 SER N N 15 116.040 0.400 . 1 . . . . 75 SER N . 16025 1 268 . 1 1 46 46 CYS H H 1 8.221 0.020 . 1 . . . . 76 CYS H . 16025 1 269 . 1 1 46 46 CYS HA H 1 4.135 0.020 . 1 . . . . 76 CYS HA . 16025 1 270 . 1 1 46 46 CYS HB2 H 1 2.663 0.020 . 2 . . . . 76 CYS HB2 . 16025 1 271 . 1 1 46 46 CYS HB3 H 1 3.768 0.020 . 2 . . . . 76 CYS HB3 . 16025 1 272 . 1 1 46 46 CYS N N 15 122.567 0.400 . 1 . . . . 76 CYS N . 16025 1 273 . 1 1 47 47 GLY H H 1 7.514 0.020 . 1 . . . . 77 GLY H . 16025 1 274 . 1 1 47 47 GLY HA2 H 1 3.727 0.020 . 2 . . . . 77 GLY HA2 . 16025 1 275 . 1 1 47 47 GLY HA3 H 1 4.206 0.020 . 2 . . . . 77 GLY HA3 . 16025 1 276 . 1 1 47 47 GLY N N 15 105.830 0.400 . 1 . . . . 77 GLY N . 16025 1 277 . 1 1 48 48 SER H H 1 7.451 0.020 . 1 . . . . 78 SER H . 16025 1 278 . 1 1 48 48 SER HA H 1 4.322 0.020 . 1 . . . . 78 SER HA . 16025 1 279 . 1 1 48 48 SER HB2 H 1 3.621 0.020 . 2 . . . . 78 SER HB2 . 16025 1 280 . 1 1 48 48 SER HB3 H 1 3.705 0.020 . 2 . . . . 78 SER HB3 . 16025 1 281 . 1 1 48 48 SER N N 15 114.464 0.400 . 1 . . . . 78 SER N . 16025 1 282 . 1 1 49 49 ALA H H 1 8.245 0.020 . 1 . . . . 79 ALA H . 16025 1 283 . 1 1 49 49 ALA HA H 1 4.197 0.020 . 1 . . . . 79 ALA HA . 16025 1 284 . 1 1 49 49 ALA HB1 H 1 1.244 0.020 . 1 . . . . 79 ALA HB1 . 16025 1 285 . 1 1 49 49 ALA HB2 H 1 1.244 0.020 . 1 . . . . 79 ALA HB2 . 16025 1 286 . 1 1 49 49 ALA HB3 H 1 1.244 0.020 . 1 . . . . 79 ALA HB3 . 16025 1 287 . 1 1 49 49 ALA N N 15 126.080 0.400 . 1 . . . . 79 ALA N . 16025 1 288 . 1 1 50 50 THR H H 1 7.999 0.020 . 1 . . . . 80 THR H . 16025 1 289 . 1 1 50 50 THR HA H 1 4.208 0.020 . 1 . . . . 80 THR HA . 16025 1 290 . 1 1 50 50 THR HB H 1 4.050 0.020 . 1 . . . . 80 THR HB . 16025 1 291 . 1 1 50 50 THR HG21 H 1 1.090 0.020 . 1 . . . . 80 THR HG21 . 16025 1 292 . 1 1 50 50 THR HG22 H 1 1.090 0.020 . 1 . . . . 80 THR HG22 . 16025 1 293 . 1 1 50 50 THR HG23 H 1 1.090 0.020 . 1 . . . . 80 THR HG23 . 16025 1 294 . 1 1 50 50 THR N N 15 113.328 0.400 . 1 . . . . 80 THR N . 16025 1 295 . 1 1 51 51 ALA H H 1 8.246 0.020 . 1 . . . . 81 ALA H . 16025 1 296 . 1 1 51 51 ALA HA H 1 4.507 0.020 . 1 . . . . 81 ALA HA . 16025 1 297 . 1 1 51 51 ALA HB1 H 1 1.275 0.020 . 1 . . . . 81 ALA HB1 . 16025 1 298 . 1 1 51 51 ALA HB2 H 1 1.275 0.020 . 1 . . . . 81 ALA HB2 . 16025 1 299 . 1 1 51 51 ALA HB3 H 1 1.275 0.020 . 1 . . . . 81 ALA HB3 . 16025 1 300 . 1 1 51 51 ALA N N 15 128.270 0.400 . 1 . . . . 81 ALA N . 16025 1 301 . 1 1 52 52 PRO HA H 1 4.327 0.020 . 1 . . . . 82 PRO HA . 16025 1 302 . 1 1 52 52 PRO HB2 H 1 1.941 0.020 . 1 . . . . 82 PRO HB2 . 16025 1 303 . 1 1 52 52 PRO HB3 H 1 1.941 0.020 . 1 . . . . 82 PRO HB3 . 16025 1 304 . 1 1 52 52 PRO HD2 H 1 2.181 0.020 . 1 . . . . 82 PRO HD2 . 16025 1 305 . 1 1 52 52 PRO HD3 H 1 2.181 0.020 . 1 . . . . 82 PRO HD3 . 16025 1 306 . 1 1 52 52 PRO HG2 H 1 3.576 0.020 . 2 . . . . 82 PRO HG2 . 16025 1 307 . 1 1 52 52 PRO HG3 H 1 3.695 0.020 . 2 . . . . 82 PRO HG3 . 16025 1 308 . 1 1 53 53 GLY H H 1 7.878 0.020 . 1 . . . . 83 GLY H . 16025 1 309 . 1 1 53 53 GLY HA2 H 1 3.647 0.020 . 1 . . . . 83 GLY HA2 . 16025 1 310 . 1 1 53 53 GLY HA3 H 1 3.647 0.020 . 1 . . . . 83 GLY HA3 . 16025 1 311 . 1 1 53 53 GLY N N 15 115.314 0.400 . 1 . . . . 83 GLY N . 16025 1 stop_ save_