################################### # 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 34270 _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-1H NOESY' . . . 34270 1 2 '2D 1H-1H TOCSY' . . . 34270 1 3 '2D 1H-15N HSQC' . . . 34270 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.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 MET HA H 1 4.123 . . 1 . . 204 . A 1 MET HA . 34270 1 2 . 1 1 1 1 MET HG2 H 1 2.179 . . 1 . . 211 . A 1 MET HG2 . 34270 1 3 . 1 1 2 2 ALA H H 1 8.598 0.002 . 1 . . 15 . A 2 ALA H . 34270 1 4 . 1 1 2 2 ALA HA H 1 4.493 . . 1 . . 16 . A 2 ALA HA . 34270 1 5 . 1 1 2 2 ALA HB1 H 1 1.420 0.001 . 1 . . 18 . A 2 ALA HB1 . 34270 1 6 . 1 1 2 2 ALA HB2 H 1 1.420 0.001 . 1 . . 18 . A 2 ALA HB2 . 34270 1 7 . 1 1 2 2 ALA HB3 H 1 1.420 0.001 . 1 . . 18 . A 2 ALA HB3 . 34270 1 8 . 1 1 2 2 ALA N N 15 126.799 . . 1 . . 17 . A 2 ALA N . 34270 1 9 . 1 1 3 3 THR H H 1 8.030 0.0 . 1 . . 19 . A 3 THR H . 34270 1 10 . 1 1 3 3 THR HA H 1 4.364 0.003 . 1 . . 20 . A 3 THR HA . 34270 1 11 . 1 1 3 3 THR HB H 1 4.197 0.002 . 1 . . 21 . A 3 THR HB . 34270 1 12 . 1 1 3 3 THR HG21 H 1 1.177 0.0 . 1 . . 22 . A 3 THR HG21 . 34270 1 13 . 1 1 3 3 THR HG22 H 1 1.177 0.0 . 1 . . 22 . A 3 THR HG22 . 34270 1 14 . 1 1 3 3 THR HG23 H 1 1.177 0.0 . 1 . . 22 . A 3 THR HG23 . 34270 1 15 . 1 1 3 3 THR N N 15 113.180 . . 1 . . 23 . A 3 THR N . 34270 1 16 . 1 1 4 4 LYS H H 1 8.191 0.001 . 1 . . 24 . A 4 LYS H . 34270 1 17 . 1 1 4 4 LYS HA H 1 4.312 . . 1 . . 25 . A 4 LYS HA . 34270 1 18 . 1 1 4 4 LYS HB2 H 1 1.706 0.001 . 2 . . 27 . A 4 LYS HB2 . 34270 1 19 . 1 1 4 4 LYS HB3 H 1 1.794 . . 2 . . 28 . A 4 LYS HB3 . 34270 1 20 . 1 1 4 4 LYS HG2 H 1 1.368 . . 2 . . 29 . A 4 LYS HG2 . 34270 1 21 . 1 1 4 4 LYS HG3 H 1 1.426 . . 2 . . 30 . A 4 LYS HG3 . 34270 1 22 . 1 1 4 4 LYS HD2 H 1 1.662 . . 1 . . 33 . A 4 LYS HD2 . 34270 1 23 . 1 1 4 4 LYS HD3 H 1 1.662 . . 1 . . 34 . A 4 LYS HD3 . 34270 1 24 . 1 1 4 4 LYS HE2 H 1 2.967 . . 1 . . 32 . A 4 LYS HE2 . 34270 1 25 . 1 1 4 4 LYS HE3 H 1 2.967 . . 1 . . 31 . A 4 LYS HE3 . 34270 1 26 . 1 1 4 4 LYS N N 15 122.538 . . 1 . . 26 . A 4 LYS N . 34270 1 27 . 1 1 5 5 HIS H H 1 8.375 0.003 . 1 . . 35 . A 5 HIS H . 34270 1 28 . 1 1 5 5 HIS HA H 1 4.738 . . 1 . . 36 . A 5 HIS HA . 34270 1 29 . 1 1 5 5 HIS HB2 H 1 3.163 . . 2 . . 38 . A 5 HIS HB2 . 34270 1 30 . 1 1 5 5 HIS HB3 H 1 3.296 . . 2 . . 39 . A 5 HIS HB3 . 34270 1 31 . 1 1 5 5 HIS HD1 H 1 8.552 . . 1 . . 201 . A 5 HIS HD1 . 34270 1 32 . 1 1 5 5 HIS HD2 H 1 7.286 . . 1 . . 202 . A 5 HIS HD2 . 34270 1 33 . 1 1 5 5 HIS N N 15 118.390 . . 1 . . 37 . A 5 HIS N . 34270 1 34 . 1 1 6 6 GLY H H 1 8.354 0.001 . 1 . . 40 . A 6 GLY H . 34270 1 35 . 1 1 6 6 GLY HA2 H 1 3.973 0.001 . 2 . . 42 . A 6 GLY HA2 . 34270 1 36 . 1 1 6 6 GLY HA3 H 1 4.058 0.0 . 2 . . 43 . A 6 GLY HA3 . 34270 1 37 . 1 1 6 6 GLY N N 15 109.381 . . 1 . . 41 . A 6 GLY N . 34270 1 38 . 1 1 7 7 LYS H H 1 8.256 0.001 . 1 . . 44 . A 7 LYS H . 34270 1 39 . 1 1 7 7 LYS HA H 1 4.305 0.001 . 1 . . 45 . A 7 LYS HA . 34270 1 40 . 1 1 7 7 LYS HB2 H 1 1.773 0.001 . 2 . . 49 . A 7 LYS HB2 . 34270 1 41 . 1 1 7 7 LYS HB3 H 1 1.860 0.003 . 2 . . 50 . A 7 LYS HB3 . 34270 1 42 . 1 1 7 7 LYS HG2 H 1 1.417 0.004 . 2 . . 53 . A 7 LYS HG2 . 34270 1 43 . 1 1 7 7 LYS HG3 H 1 1.473 0.0 . 2 . . 54 . A 7 LYS HG3 . 34270 1 44 . 1 1 7 7 LYS HD2 H 1 1.694 . . 1 . . 51 . A 7 LYS HD2 . 34270 1 45 . 1 1 7 7 LYS HD3 H 1 1.694 . . 1 . . 52 . A 7 LYS HD3 . 34270 1 46 . 1 1 7 7 LYS HE2 H 1 2.987 . . 1 . . 48 . A 7 LYS HE2 . 34270 1 47 . 1 1 7 7 LYS HE3 H 1 2.987 . . 1 . . 47 . A 7 LYS HE3 . 34270 1 48 . 1 1 7 7 LYS N N 15 120.661 . . 1 . . 46 . A 7 LYS N . 34270 1 49 . 1 1 8 8 ASN H H 1 8.420 0.001 . 1 . . 58 . A 8 ASN H . 34270 1 50 . 1 1 8 8 ASN HA H 1 4.714 0.001 . 1 . . 55 . A 8 ASN HA . 34270 1 51 . 1 1 8 8 ASN HB2 H 1 2.747 0.002 . 1 . . 56 . A 8 ASN HB2 . 34270 1 52 . 1 1 8 8 ASN HB3 H 1 2.747 0.002 . 1 . . 57 . A 8 ASN HB3 . 34270 1 53 . 1 1 8 8 ASN HD21 H 1 7.455 . . 1 . . 12 . A 8 ASN HD21 . 34270 1 54 . 1 1 8 8 ASN HD22 H 1 6.752 . . 1 . . 13 . A 8 ASN HD22 . 34270 1 55 . 1 1 8 8 ASN N N 15 118.263 . . 1 . . 59 . A 8 ASN N . 34270 1 56 . 1 1 8 8 ASN ND2 N 15 111.687 0.006 . 1 . . 14 . A 8 ASN ND2 . 34270 1 57 . 1 1 9 9 SER H H 1 8.195 0.001 . 1 . . 60 . A 9 SER H . 34270 1 58 . 1 1 9 9 SER HA H 1 4.393 0.001 . 1 . . 62 . A 9 SER HA . 34270 1 59 . 1 1 9 9 SER HB2 H 1 3.868 0.004 . 2 . . 63 . A 9 SER HB2 . 34270 1 60 . 1 1 9 9 SER HB3 H 1 3.919 0.0 . 2 . . 64 . A 9 SER HB3 . 34270 1 61 . 1 1 9 9 SER N N 15 116.318 . . 1 . . 61 . A 9 SER N . 34270 1 62 . 1 1 10 10 TRP H H 1 7.983 0.001 . 1 . . 5 . A 10 TRP H . 34270 1 63 . 1 1 10 10 TRP HA H 1 4.475 0.001 . 1 . . 65 . A 10 TRP HA . 34270 1 64 . 1 1 10 10 TRP HB2 H 1 3.305 0.003 . 2 . . 66 . A 10 TRP HB2 . 34270 1 65 . 1 1 10 10 TRP HB3 H 1 3.369 0.004 . 2 . . 67 . A 10 TRP HB3 . 34270 1 66 . 1 1 10 10 TRP HD1 H 1 7.297 0.001 . 1 . . 2 . A 10 TRP HD1 . 34270 1 67 . 1 1 10 10 TRP HE1 H 1 9.836 0.001 . 1 . . 1 . A 10 TRP HE1 . 34270 1 68 . 1 1 10 10 TRP HE3 H 1 7.482 0.002 . 1 . . 7 . A 10 TRP HE3 . 34270 1 69 . 1 1 10 10 TRP HZ2 H 1 7.386 0.003 . 1 . . 3 . A 10 TRP HZ2 . 34270 1 70 . 1 1 10 10 TRP HZ3 H 1 6.941 0.001 . 1 . . 8 . A 10 TRP HZ3 . 34270 1 71 . 1 1 10 10 TRP HH2 H 1 7.086 . . 1 . . 9 . A 10 TRP HH2 . 34270 1 72 . 1 1 10 10 TRP N N 15 122.485 . . 1 . . 6 . A 10 TRP N . 34270 1 73 . 1 1 10 10 TRP NE1 N 15 127.575 . . 1 . . 4 . A 10 TRP NE1 . 34270 1 74 . 1 1 11 11 LYS H H 1 7.605 0.001 . 1 . . 68 . A 11 LYS H . 34270 1 75 . 1 1 11 11 LYS HA H 1 3.804 0.001 . 1 . . 69 . A 11 LYS HA . 34270 1 76 . 1 1 11 11 LYS HB2 H 1 1.604 0.001 . 2 . . 73 . A 11 LYS HB2 . 34270 1 77 . 1 1 11 11 LYS HB3 H 1 1.712 0.0 . 2 . . 74 . A 11 LYS HB3 . 34270 1 78 . 1 1 11 11 LYS HG2 H 1 1.061 0.003 . 2 . . 205 . A 11 LYS HG2 . 34270 1 79 . 1 1 11 11 LYS HG3 H 1 1.092 0.002 . 2 . . 206 . A 11 LYS HG3 . 34270 1 80 . 1 1 11 11 LYS HD2 H 1 1.584 0.002 . 1 . . 269 . A 11 LYS HD2 . 34270 1 81 . 1 1 11 11 LYS HD3 H 1 1.584 0.002 . 1 . . 268 . A 11 LYS HD3 . 34270 1 82 . 1 1 11 11 LYS HE2 H 1 2.887 0.002 . 1 . . 72 . A 11 LYS HE2 . 34270 1 83 . 1 1 11 11 LYS HE3 H 1 2.887 0.002 . 1 . . 71 . A 11 LYS HE3 . 34270 1 84 . 1 1 11 11 LYS N N 15 119.195 . . 1 . . 70 . A 11 LYS N . 34270 1 85 . 1 1 12 12 THR H H 1 7.579 0.003 . 1 . . 75 . A 12 THR H . 34270 1 86 . 1 1 12 12 THR HA H 1 3.934 0.0 . 1 . . 77 . A 12 THR HA . 34270 1 87 . 1 1 12 12 THR HB H 1 4.235 0.001 . 1 . . 76 . A 12 THR HB . 34270 1 88 . 1 1 12 12 THR HG21 H 1 1.250 0.002 . 1 . . 78 . A 12 THR HG21 . 34270 1 89 . 1 1 12 12 THR HG22 H 1 1.250 0.002 . 1 . . 78 . A 12 THR HG22 . 34270 1 90 . 1 1 12 12 THR HG23 H 1 1.250 0.002 . 1 . . 78 . A 12 THR HG23 . 34270 1 91 . 1 1 12 12 THR N N 15 111.430 . . 1 . . 79 . A 12 THR N . 34270 1 92 . 1 1 13 13 LEU H H 1 7.517 0.001 . 1 . . 80 . A 13 LEU H . 34270 1 93 . 1 1 13 13 LEU HA H 1 4.106 0.002 . 1 . . 81 . A 13 LEU HA . 34270 1 94 . 1 1 13 13 LEU HB2 H 1 1.798 0.002 . 1 . . 85 . A 13 LEU HB2 . 34270 1 95 . 1 1 13 13 LEU HB3 H 1 1.798 0.002 . 1 . . 86 . A 13 LEU HB3 . 34270 1 96 . 1 1 13 13 LEU HG H 1 1.654 0.002 . 1 . . 84 . A 13 LEU HG . 34270 1 97 . 1 1 13 13 LEU HD21 H 1 0.896 0.002 . 1 . . 83 . A 13 LEU HD21 . 34270 1 98 . 1 1 13 13 LEU HD22 H 1 0.896 0.002 . 1 . . 83 . A 13 LEU HD22 . 34270 1 99 . 1 1 13 13 LEU HD23 H 1 0.896 0.002 . 1 . . 83 . A 13 LEU HD23 . 34270 1 100 . 1 1 13 13 LEU N N 15 122.443 . . 1 . . 82 . A 13 LEU N . 34270 1 101 . 1 1 14 14 TYR H H 1 8.127 0.001 . 1 . . 87 . A 14 TYR H . 34270 1 102 . 1 1 14 14 TYR HA H 1 4.099 0.001 . 1 . . 88 . A 14 TYR HA . 34270 1 103 . 1 1 14 14 TYR HB2 H 1 2.940 0.002 . 2 . . 90 . A 14 TYR HB2 . 34270 1 104 . 1 1 14 14 TYR HB3 H 1 3.013 0.001 . 2 . . 91 . A 14 TYR HB3 . 34270 1 105 . 1 1 14 14 TYR HD1 H 1 7.016 0.002 . 1 . . 10 . A 14 TYR HD1 . 34270 1 106 . 1 1 14 14 TYR HD2 H 1 7.016 0.002 . 1 . . 10 . A 14 TYR HD2 . 34270 1 107 . 1 1 14 14 TYR HE1 H 1 6.790 0.002 . 1 . . 11 . A 14 TYR HE1 . 34270 1 108 . 1 1 14 14 TYR HE2 H 1 6.790 0.002 . 1 . . 11 . A 14 TYR HE2 . 34270 1 109 . 1 1 14 14 TYR N N 15 117.893 . . 1 . . 89 . A 14 TYR N . 34270 1 110 . 1 1 15 15 LEU H H 1 8.105 0.001 . 1 . . 92 . A 15 LEU H . 34270 1 111 . 1 1 15 15 LEU HA H 1 3.928 0.004 . 1 . . 94 . A 15 LEU HA . 34270 1 112 . 1 1 15 15 LEU HB2 H 1 1.878 0.001 . 1 . . 96 . A 15 LEU HB2 . 34270 1 113 . 1 1 15 15 LEU HB3 H 1 1.878 0.001 . 1 . . 97 . A 15 LEU HB3 . 34270 1 114 . 1 1 15 15 LEU HG H 1 1.562 0.001 . 1 . . 95 . A 15 LEU HG . 34270 1 115 . 1 1 15 15 LEU HD21 H 1 0.894 0.001 . 1 . . 98 . A 15 LEU HD21 . 34270 1 116 . 1 1 15 15 LEU HD22 H 1 0.894 0.001 . 1 . . 98 . A 15 LEU HD22 . 34270 1 117 . 1 1 15 15 LEU HD23 H 1 0.894 0.001 . 1 . . 98 . A 15 LEU HD23 . 34270 1 118 . 1 1 15 15 LEU N N 15 120.685 . . 1 . . 93 . A 15 LEU N . 34270 1 119 . 1 1 16 16 LYS H H 1 7.878 0.001 . 1 . . 99 . A 16 LYS H . 34270 1 120 . 1 1 16 16 LYS HA H 1 4.025 0.002 . 1 . . 100 . A 16 LYS HA . 34270 1 121 . 1 1 16 16 LYS HB2 H 1 1.941 0.002 . 2 . . 102 . A 16 LYS HB2 . 34270 1 122 . 1 1 16 16 LYS HB3 H 1 2.027 0.001 . 2 . . 103 . A 16 LYS HB3 . 34270 1 123 . 1 1 16 16 LYS HG2 H 1 1.405 0.001 . 1 . . 208 . A 16 LYS HG2 . 34270 1 124 . 1 1 16 16 LYS HG3 H 1 1.405 0.001 . 1 . . 207 . A 16 LYS HG3 . 34270 1 125 . 1 1 16 16 LYS HD2 H 1 1.659 0.001 . 1 . . 112 . A 16 LYS HD2 . 34270 1 126 . 1 1 16 16 LYS HD3 H 1 1.659 0.001 . 1 . . 113 . A 16 LYS HD3 . 34270 1 127 . 1 1 16 16 LYS HE2 H 1 2.893 0.002 . 1 . . 210 . A 16 LYS HE2 . 34270 1 128 . 1 1 16 16 LYS HE3 H 1 2.893 0.002 . 1 . . 209 . A 16 LYS HE3 . 34270 1 129 . 1 1 16 16 LYS N N 15 118.956 . . 1 . . 101 . A 16 LYS N . 34270 1 130 . 1 1 17 17 ILE H H 1 8.450 0.0 . 1 . . 104 . A 17 ILE H . 34270 1 131 . 1 1 17 17 ILE HA H 1 3.804 0.002 . 1 . . 105 . A 17 ILE HA . 34270 1 132 . 1 1 17 17 ILE HB H 1 1.872 0.002 . 1 . . 107 . A 17 ILE HB . 34270 1 133 . 1 1 17 17 ILE HG12 H 1 1.228 0.001 . 1 . . 108 . A 17 ILE HG12 . 34270 1 134 . 1 1 17 17 ILE HG13 H 1 1.228 0.001 . 1 . . 109 . A 17 ILE HG13 . 34270 1 135 . 1 1 17 17 ILE HG21 H 1 0.898 0.002 . 1 . . 110 . A 17 ILE HG21 . 34270 1 136 . 1 1 17 17 ILE HG22 H 1 0.898 0.002 . 1 . . 110 . A 17 ILE HG22 . 34270 1 137 . 1 1 17 17 ILE HG23 H 1 0.898 0.002 . 1 . . 110 . A 17 ILE HG23 . 34270 1 138 . 1 1 17 17 ILE HD11 H 1 0.815 0.002 . 1 . . 111 . A 17 ILE HD11 . 34270 1 139 . 1 1 17 17 ILE HD12 H 1 0.815 0.002 . 1 . . 111 . A 17 ILE HD12 . 34270 1 140 . 1 1 17 17 ILE HD13 H 1 0.815 0.002 . 1 . . 111 . A 17 ILE HD13 . 34270 1 141 . 1 1 17 17 ILE N N 15 117.789 . . 1 . . 106 . A 17 ILE N . 34270 1 142 . 1 1 18 18 SER H H 1 8.090 0.001 . 1 . . 114 . A 18 SER H . 34270 1 143 . 1 1 18 18 SER HA H 1 4.119 0.0 . 1 . . 115 . A 18 SER HA . 34270 1 144 . 1 1 18 18 SER HB2 H 1 3.668 0.002 . 2 . . 117 . A 18 SER HB2 . 34270 1 145 . 1 1 18 18 SER HB3 H 1 3.885 0.0 . 2 . . 118 . A 18 SER HB3 . 34270 1 146 . 1 1 18 18 SER N N 15 116.504 . . 1 . . 116 . A 18 SER N . 34270 1 147 . 1 1 19 19 PHE H H 1 8.135 0.001 . 1 . . 119 . A 19 PHE H . 34270 1 148 . 1 1 19 19 PHE HA H 1 4.392 0.003 . 1 . . 120 . A 19 PHE HA . 34270 1 149 . 1 1 19 19 PHE HB2 H 1 3.228 0.001 . 1 . . 122 . A 19 PHE HB2 . 34270 1 150 . 1 1 19 19 PHE HB3 H 1 3.228 0.001 . 1 . . 123 . A 19 PHE HB3 . 34270 1 151 . 1 1 19 19 PHE HD1 H 1 7.232 0.001 . 1 . . 203 . A 19 PHE HD1 . 34270 1 152 . 1 1 19 19 PHE HD2 H 1 7.232 0.001 . 1 . . 203 . A 19 PHE HD2 . 34270 1 153 . 1 1 19 19 PHE HE1 H 1 7.264 0.002 . 1 . . 214 . A 19 PHE HE1 . 34270 1 154 . 1 1 19 19 PHE HE2 H 1 7.264 0.002 . 1 . . 214 . A 19 PHE HE2 . 34270 1 155 . 1 1 19 19 PHE N N 15 122.180 . . 1 . . 121 . A 19 PHE N . 34270 1 156 . 1 1 20 20 LEU H H 1 8.201 0.001 . 1 . . 124 . A 20 LEU H . 34270 1 157 . 1 1 20 20 LEU HA H 1 4.081 0.003 . 1 . . 126 . A 20 LEU HA . 34270 1 158 . 1 1 20 20 LEU HB2 H 1 1.851 0.002 . 1 . . 128 . A 20 LEU HB2 . 34270 1 159 . 1 1 20 20 LEU HB3 H 1 1.851 0.002 . 1 . . 127 . A 20 LEU HB3 . 34270 1 160 . 1 1 20 20 LEU HG H 1 1.641 0.001 . 1 . . 129 . A 20 LEU HG . 34270 1 161 . 1 1 20 20 LEU HD21 H 1 0.897 0.002 . 1 . . 130 . A 20 LEU HD21 . 34270 1 162 . 1 1 20 20 LEU HD22 H 1 0.897 0.002 . 1 . . 130 . A 20 LEU HD22 . 34270 1 163 . 1 1 20 20 LEU HD23 H 1 0.897 0.002 . 1 . . 130 . A 20 LEU HD23 . 34270 1 164 . 1 1 20 20 LEU N N 15 120.050 . . 1 . . 125 . A 20 LEU N . 34270 1 165 . 1 1 21 21 GLY H H 1 8.351 0.001 . 1 . . 131 . A 21 GLY H . 34270 1 166 . 1 1 21 21 GLY HA2 H 1 3.796 0.002 . 2 . . 132 . A 21 GLY HA2 . 34270 1 167 . 1 1 21 21 GLY HA3 H 1 3.883 0.001 . 2 . . 133 . A 21 GLY HA3 . 34270 1 168 . 1 1 21 21 GLY N N 15 105.711 . . 1 . . 134 . A 21 GLY N . 34270 1 169 . 1 1 22 22 CYS H H 1 7.871 0.001 . 1 . . 135 . A 22 CYS H . 34270 1 170 . 1 1 22 22 CYS HA H 1 4.219 0.001 . 1 . . 136 . A 22 CYS HA . 34270 1 171 . 1 1 22 22 CYS HB2 H 1 2.906 0.002 . 2 . . 137 . A 22 CYS HB2 . 34270 1 172 . 1 1 22 22 CYS HB3 H 1 3.045 0.002 . 2 . . 138 . A 22 CYS HB3 . 34270 1 173 . 1 1 22 22 CYS N N 15 117.411 . . 1 . . 139 . A 22 CYS N . 34270 1 174 . 1 1 23 23 LYS H H 1 7.818 0.002 . 1 . . 140 . A 23 LYS H . 34270 1 175 . 1 1 23 23 LYS HA H 1 4.074 0.002 . 1 . . 141 . A 23 LYS HA . 34270 1 176 . 1 1 23 23 LYS HB2 H 1 1.857 0.002 . 2 . . 144 . A 23 LYS HB2 . 34270 1 177 . 1 1 23 23 LYS HB3 H 1 1.911 0.002 . 2 . . 145 . A 23 LYS HB3 . 34270 1 178 . 1 1 23 23 LYS HG2 H 1 1.356 0.0 . 2 . . 148 . A 23 LYS HG2 . 34270 1 179 . 1 1 23 23 LYS HG3 H 1 1.446 0.003 . 2 . . 149 . A 23 LYS HG3 . 34270 1 180 . 1 1 23 23 LYS HD2 H 1 1.622 0.002 . 1 . . 146 . A 23 LYS HD2 . 34270 1 181 . 1 1 23 23 LYS HD3 H 1 1.622 0.002 . 1 . . 147 . A 23 LYS HD3 . 34270 1 182 . 1 1 23 23 LYS HE2 H 1 2.843 0.004 . 1 . . 143 . A 23 LYS HE2 . 34270 1 183 . 1 1 23 23 LYS HE3 H 1 2.843 0.004 . 1 . . 142 . A 23 LYS HE3 . 34270 1 184 . 1 1 23 23 LYS N N 15 120.335 . . 1 . . 150 . A 23 LYS N . 34270 1 185 . 1 1 24 24 VAL H H 1 7.896 0.001 . 1 . . 151 . A 24 VAL H . 34270 1 186 . 1 1 24 24 VAL HA H 1 3.701 0.001 . 1 . . 152 . A 24 VAL HA . 34270 1 187 . 1 1 24 24 VAL HB H 1 2.167 0.001 . 1 . . 153 . A 24 VAL HB . 34270 1 188 . 1 1 24 24 VAL HG11 H 1 0.916 0.001 . 2 . . 154 . A 24 VAL HG11 . 34270 1 189 . 1 1 24 24 VAL HG12 H 1 0.916 0.001 . 2 . . 154 . A 24 VAL HG12 . 34270 1 190 . 1 1 24 24 VAL HG13 H 1 0.916 0.001 . 2 . . 154 . A 24 VAL HG13 . 34270 1 191 . 1 1 24 24 VAL HG21 H 1 1.002 0.001 . 2 . . 155 . A 24 VAL HG21 . 34270 1 192 . 1 1 24 24 VAL HG22 H 1 1.002 0.001 . 2 . . 155 . A 24 VAL HG22 . 34270 1 193 . 1 1 24 24 VAL HG23 H 1 1.002 0.001 . 2 . . 155 . A 24 VAL HG23 . 34270 1 194 . 1 1 24 24 VAL N N 15 118.265 . . 1 . . 156 . A 24 VAL N . 34270 1 195 . 1 1 25 25 VAL H H 1 7.757 0.001 . 1 . . 157 . A 25 VAL H . 34270 1 196 . 1 1 25 25 VAL HA H 1 3.613 0.001 . 1 . . 159 . A 25 VAL HA . 34270 1 197 . 1 1 25 25 VAL HB H 1 2.094 0.001 . 1 . . 160 . A 25 VAL HB . 34270 1 198 . 1 1 25 25 VAL HG11 H 1 0.924 0.002 . 2 . . 161 . A 25 VAL HG11 . 34270 1 199 . 1 1 25 25 VAL HG12 H 1 0.924 0.002 . 2 . . 161 . A 25 VAL HG12 . 34270 1 200 . 1 1 25 25 VAL HG13 H 1 0.924 0.002 . 2 . . 161 . A 25 VAL HG13 . 34270 1 201 . 1 1 25 25 VAL HG21 H 1 1.024 0.001 . 2 . . 162 . A 25 VAL HG21 . 34270 1 202 . 1 1 25 25 VAL HG22 H 1 1.024 0.001 . 2 . . 162 . A 25 VAL HG22 . 34270 1 203 . 1 1 25 25 VAL HG23 H 1 1.024 0.001 . 2 . . 162 . A 25 VAL HG23 . 34270 1 204 . 1 1 25 25 VAL N N 15 118.078 . . 1 . . 158 . A 25 VAL N . 34270 1 205 . 1 1 26 26 ALA H H 1 7.540 0.001 . 1 . . 163 . A 26 ALA H . 34270 1 206 . 1 1 26 26 ALA HA H 1 4.059 0.001 . 1 . . 165 . A 26 ALA HA . 34270 1 207 . 1 1 26 26 ALA HB1 H 1 1.468 0.002 . 1 . . 166 . A 26 ALA HB1 . 34270 1 208 . 1 1 26 26 ALA HB2 H 1 1.468 0.002 . 1 . . 166 . A 26 ALA HB2 . 34270 1 209 . 1 1 26 26 ALA HB3 H 1 1.468 0.002 . 1 . . 166 . A 26 ALA HB3 . 34270 1 210 . 1 1 26 26 ALA N N 15 120.114 . . 1 . . 164 . A 26 ALA N . 34270 1 211 . 1 1 27 27 LEU H H 1 7.780 0.002 . 1 . . 167 . A 27 LEU H . 34270 1 212 . 1 1 27 27 LEU HA H 1 4.156 0.001 . 1 . . 168 . A 27 LEU HA . 34270 1 213 . 1 1 27 27 LEU HB2 H 1 1.770 0.002 . 2 . . 212 . A 27 LEU HB2 . 34270 1 214 . 1 1 27 27 LEU HB3 H 1 1.915 . . 2 . . 213 . A 27 LEU HB3 . 34270 1 215 . 1 1 27 27 LEU HG H 1 1.627 0.001 . 1 . . 170 . A 27 LEU HG . 34270 1 216 . 1 1 27 27 LEU HD21 H 1 0.860 0.0 . 1 . . 171 . A 27 LEU HD21 . 34270 1 217 . 1 1 27 27 LEU HD22 H 1 0.860 0.0 . 1 . . 171 . A 27 LEU HD22 . 34270 1 218 . 1 1 27 27 LEU HD23 H 1 0.860 0.0 . 1 . . 171 . A 27 LEU HD23 . 34270 1 219 . 1 1 27 27 LEU N N 15 117.467 . . 1 . . 169 . A 27 LEU N . 34270 1 220 . 1 1 28 28 LEU H H 1 7.951 0.001 . 1 . . 172 . A 28 LEU H . 34270 1 221 . 1 1 28 28 LEU HA H 1 4.223 0.001 . 1 . . 173 . A 28 LEU HA . 34270 1 222 . 1 1 28 28 LEU HB2 H 1 1.854 0.0 . 1 . . 174 . A 28 LEU HB2 . 34270 1 223 . 1 1 28 28 LEU HB3 H 1 1.854 0.0 . 1 . . 175 . A 28 LEU HB3 . 34270 1 224 . 1 1 28 28 LEU HG H 1 1.523 0.0 . 1 . . 176 . A 28 LEU HG . 34270 1 225 . 1 1 28 28 LEU HD21 H 1 0.836 0.002 . 1 . . 177 . A 28 LEU HD21 . 34270 1 226 . 1 1 28 28 LEU HD22 H 1 0.836 0.002 . 1 . . 177 . A 28 LEU HD22 . 34270 1 227 . 1 1 28 28 LEU HD23 H 1 0.836 0.002 . 1 . . 177 . A 28 LEU HD23 . 34270 1 228 . 1 1 28 28 LEU N N 15 118.458 . . 1 . . 178 . A 28 LEU N . 34270 1 229 . 1 1 29 29 LYS H H 1 7.886 0.002 . 1 . . 190 . A 29 LYS H . 34270 1 230 . 1 1 29 29 LYS HA H 1 4.258 0.0 . 1 . . 192 . A 29 LYS HA . 34270 1 231 . 1 1 29 29 LYS HB2 H 1 1.924 . . 2 . . 195 . A 29 LYS HB2 . 34270 1 232 . 1 1 29 29 LYS HB3 H 1 1.852 . . 2 . . 196 . A 29 LYS HB3 . 34270 1 233 . 1 1 29 29 LYS HG2 H 1 1.461 0.0 . 2 . . 197 . A 29 LYS HG2 . 34270 1 234 . 1 1 29 29 LYS HG3 H 1 1.529 . . 2 . . 198 . A 29 LYS HG3 . 34270 1 235 . 1 1 29 29 LYS HD2 H 1 1.649 . . 1 . . 199 . A 29 LYS HD2 . 34270 1 236 . 1 1 29 29 LYS HD3 H 1 1.649 . . 1 . . 200 . A 29 LYS HD3 . 34270 1 237 . 1 1 29 29 LYS HE2 H 1 2.950 . . 1 . . 193 . A 29 LYS HE2 . 34270 1 238 . 1 1 29 29 LYS HE3 H 1 2.950 . . 1 . . 194 . A 29 LYS HE3 . 34270 1 239 . 1 1 29 29 LYS N N 15 117.930 . . 1 . . 191 . A 29 LYS N . 34270 1 stop_ save_