################################### # 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 25683 _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' . . . 25683 1 2 '2D 1H-1H TOCSY' . . . 25683 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 HA2 H 1 3.720 0.010 . 2 . . . A 1 GLY HA2 . 25683 1 2 . 1 1 1 1 GLY HA3 H 1 3.605 0.010 . 2 . . . A 1 GLY HA3 . 25683 1 3 . 1 1 2 2 ALA H H 1 8.084 0.010 . 1 . . . A 2 ALA H . 25683 1 4 . 1 1 2 2 ALA HA H 1 4.151 0.010 . 1 . . . A 2 ALA HA . 25683 1 5 . 1 1 2 2 ALA HB1 H 1 1.177 0.010 . 1 . . . A 2 ALA MB . 25683 1 6 . 1 1 2 2 ALA HB2 H 1 1.177 0.010 . 1 . . . A 2 ALA MB . 25683 1 7 . 1 1 2 2 ALA HB3 H 1 1.177 0.010 . 1 . . . A 2 ALA MB . 25683 1 8 . 1 1 3 3 THR H H 1 8.025 0.010 . 1 . . . A 3 THR H . 25683 1 9 . 1 1 3 3 THR HA H 1 4.104 0.010 . 1 . . . A 3 THR HA . 25683 1 10 . 1 1 3 3 THR HB H 1 3.992 0.010 . 1 . . . A 3 THR HB . 25683 1 11 . 1 1 3 3 THR HG21 H 1 1.000 0.010 . 1 . . . A 3 THR MG . 25683 1 12 . 1 1 3 3 THR HG22 H 1 1.000 0.010 . 1 . . . A 3 THR MG . 25683 1 13 . 1 1 3 3 THR HG23 H 1 1.000 0.010 . 1 . . . A 3 THR MG . 25683 1 14 . 1 1 4 4 ALA H H 1 8.168 0.010 . 1 . . . A 4 ALA H . 25683 1 15 . 1 1 4 4 ALA HA H 1 4.150 0.010 . 1 . . . A 4 ALA HA . 25683 1 16 . 1 1 4 4 ALA HB1 H 1 1.175 0.010 . 1 . . . A 4 ALA MB . 25683 1 17 . 1 1 4 4 ALA HB2 H 1 1.175 0.010 . 1 . . . A 4 ALA MB . 25683 1 18 . 1 1 4 4 ALA HB3 H 1 1.175 0.010 . 1 . . . A 4 ALA MB . 25683 1 19 . 1 1 5 5 VAL H H 1 8.028 0.010 . 1 . . . A 5 VAL H . 25683 1 20 . 1 1 5 5 VAL HA H 1 3.896 0.010 . 1 . . . A 5 VAL HA . 25683 1 21 . 1 1 5 5 VAL HB H 1 1.858 0.010 . 1 . . . A 5 VAL HB . 25683 1 22 . 1 1 5 5 VAL HG11 H 1 0.747 0.010 . 2 . . . A 5 VAL MG1 . 25683 1 23 . 1 1 5 5 VAL HG12 H 1 0.747 0.010 . 2 . . . A 5 VAL MG1 . 25683 1 24 . 1 1 5 5 VAL HG13 H 1 0.747 0.010 . 2 . . . A 5 VAL MG1 . 25683 1 25 . 1 1 5 5 VAL HG21 H 1 0.732 0.010 . 2 . . . A 5 VAL MG2 . 25683 1 26 . 1 1 5 5 VAL HG22 H 1 0.732 0.010 . 2 . . . A 5 VAL MG2 . 25683 1 27 . 1 1 5 5 VAL HG23 H 1 0.732 0.010 . 2 . . . A 5 VAL MG2 . 25683 1 28 . 1 1 6 6 SER H H 1 8.212 0.010 . 1 . . . A 6 SER H . 25683 1 29 . 1 1 6 6 SER HA H 1 4.294 0.010 . 1 . . . A 6 SER HA . 25683 1 30 . 1 1 6 6 SER HB2 H 1 3.820 0.001 . 2 . . . A 6 SER HB2 . 25683 1 31 . 1 1 6 6 SER HB3 H 1 3.706 0.001 . 2 . . . A 6 SER HB3 . 25683 1 32 . 1 1 7 7 GLU H H 1 8.569 0.010 . 1 . . . A 7 GLU H . 25683 1 33 . 1 1 7 7 GLU HA H 1 3.918 0.010 . 1 . . . A 7 GLU HA . 25683 1 34 . 1 1 7 7 GLU HB2 H 1 1.639 0.003 . 2 . . . A 7 GLU HB2 . 25683 1 35 . 1 1 7 7 GLU HB3 H 1 1.628 0.010 . 2 . . . A 7 GLU HB3 . 25683 1 36 . 1 1 7 7 GLU HG2 H 1 1.687 0.010 . 2 . . . A 7 GLU HG2 . 25683 1 37 . 1 1 7 7 GLU HG3 H 1 1.676 0.010 . 2 . . . A 7 GLU HG3 . 25683 1 38 . 1 1 8 8 TRP H H 1 7.924 0.010 . 1 . . . A 8 TRP H . 25683 1 39 . 1 1 8 8 TRP HA H 1 5.252 0.010 . 1 . . . A 8 TRP HA . 25683 1 40 . 1 1 8 8 TRP HB2 H 1 2.907 0.010 . 2 . . . A 8 TRP HB2 . 25683 1 41 . 1 1 8 8 TRP HB3 H 1 2.835 0.003 . 2 . . . A 8 TRP HB3 . 25683 1 42 . 1 1 8 8 TRP HD1 H 1 7.064 0.010 . 1 . . . A 8 TRP HD1 . 25683 1 43 . 1 1 8 8 TRP HE1 H 1 10.088 0.010 . 1 . . . A 8 TRP HE1 . 25683 1 44 . 1 1 8 8 TRP HE3 H 1 7.092 0.010 . 1 . . . A 8 TRP HE3 . 25683 1 45 . 1 1 8 8 TRP HZ2 H 1 7.217 0.010 . 1 . . . A 8 TRP HZ2 . 25683 1 46 . 1 1 8 8 TRP HZ3 H 1 6.618 0.010 . 1 . . . A 8 TRP HZ3 . 25683 1 47 . 1 1 8 8 TRP HH2 H 1 6.858 0.002 . 1 . . . A 8 TRP HH2 . 25683 1 48 . 1 1 9 9 THR H H 1 9.391 0.002 . 1 . . . A 9 THR H . 25683 1 49 . 1 1 9 9 THR HA H 1 4.330 0.010 . 1 . . . A 9 THR HA . 25683 1 50 . 1 1 9 9 THR HB H 1 3.686 0.001 . 1 . . . A 9 THR HB . 25683 1 51 . 1 1 9 9 THR HG21 H 1 0.632 0.010 . 1 . . . A 9 THR MG . 25683 1 52 . 1 1 9 9 THR HG22 H 1 0.632 0.010 . 1 . . . A 9 THR MG . 25683 1 53 . 1 1 9 9 THR HG23 H 1 0.632 0.010 . 1 . . . A 9 THR MG . 25683 1 54 . 1 1 10 10 GLU H H 1 8.381 0.010 . 1 . . . A 10 GLU H . 25683 1 55 . 1 1 10 10 GLU HA H 1 4.263 0.010 . 1 . . . A 10 GLU HA . 25683 1 56 . 1 1 10 10 GLU HB2 H 1 1.625 0.010 . 2 . . . A 10 GLU HB2 . 25683 1 57 . 1 1 10 10 GLU HB3 H 1 1.611 0.010 . 2 . . . A 10 GLU HB3 . 25683 1 58 . 1 1 10 10 GLU HG2 H 1 1.578 0.010 . 2 . . . A 10 GLU HG2 . 25683 1 59 . 1 1 11 11 TYR H H 1 8.311 0.010 . 1 . . . A 11 TYR H . 25683 1 60 . 1 1 11 11 TYR HA H 1 4.356 0.010 . 1 . . . A 11 TYR HA . 25683 1 61 . 1 1 11 11 TYR HB2 H 1 2.311 0.010 . 2 . . . A 11 TYR HB2 . 25683 1 62 . 1 1 11 11 TYR HB3 H 1 0.958 0.010 . 2 . . . A 11 TYR HB3 . 25683 1 63 . 1 1 11 11 TYR HD1 H 1 6.624 0.010 . 3 . . . A 11 TYR HD1 . 25683 1 64 . 1 1 11 11 TYR HE1 H 1 6.341 0.010 . 3 . . . A 11 TYR HE1 . 25683 1 65 . 1 1 12 12 LYS H H 1 8.003 0.002 . 1 . . . A 12 LYS H . 25683 1 66 . 1 1 12 12 LYS HA H 1 5.275 0.010 . 1 . . . A 12 LYS HA . 25683 1 67 . 1 1 12 12 LYS HB2 H 1 1.429 0.010 . 2 . . . A 12 LYS HB2 . 25683 1 68 . 1 1 12 12 LYS HB3 H 1 1.151 0.010 . 2 . . . A 12 LYS HB3 . 25683 1 69 . 1 1 12 12 LYS HG2 H 1 1.489 0.010 . 2 . . . A 12 LYS HG2 . 25683 1 70 . 1 1 12 12 LYS HG3 H 1 1.348 0.010 . 2 . . . A 12 LYS HG3 . 25683 1 71 . 1 1 12 12 LYS HD2 H 1 1.299 0.010 . 2 . . . A 12 LYS HD2 . 25683 1 72 . 1 1 12 12 LYS HD3 H 1 1.284 0.010 . 2 . . . A 12 LYS HD3 . 25683 1 73 . 1 1 12 12 LYS HE2 H 1 2.676 0.010 . 2 . . . A 12 LYS HE2 . 25683 1 74 . 1 1 13 13 THR H H 1 9.101 0.010 . 1 . . . A 13 THR H . 25683 1 75 . 1 1 13 13 THR HA H 1 4.465 0.001 . 1 . . . A 13 THR HA . 25683 1 76 . 1 1 13 13 THR HB H 1 4.447 0.010 . 1 . . . A 13 THR HB . 25683 1 77 . 1 1 13 13 THR HG21 H 1 1.344 0.002 . 1 . . . A 13 THR MG . 25683 1 78 . 1 1 13 13 THR HG22 H 1 1.344 0.002 . 1 . . . A 13 THR MG . 25683 1 79 . 1 1 13 13 THR HG23 H 1 1.344 0.002 . 1 . . . A 13 THR MG . 25683 1 80 . 1 1 14 14 ALA H H 1 7.822 0.010 . 1 . . . A 14 ALA H . 25683 1 81 . 1 1 14 14 ALA HA H 1 3.977 0.010 . 1 . . . A 14 ALA HA . 25683 1 82 . 1 1 14 14 ALA HB1 H 1 1.264 0.010 . 1 . . . A 14 ALA MB . 25683 1 83 . 1 1 14 14 ALA HB2 H 1 1.264 0.010 . 1 . . . A 14 ALA MB . 25683 1 84 . 1 1 14 14 ALA HB3 H 1 1.264 0.010 . 1 . . . A 14 ALA MB . 25683 1 85 . 1 1 15 15 ASP H H 1 7.910 0.010 . 1 . . . A 15 ASP H . 25683 1 86 . 1 1 15 15 ASP HA H 1 4.475 0.010 . 1 . . . A 15 ASP HA . 25683 1 87 . 1 1 15 15 ASP HB2 H 1 2.659 0.010 . 2 . . . A 15 ASP HB2 . 25683 1 88 . 1 1 15 15 ASP HB3 H 1 2.466 0.010 . 2 . . . A 15 ASP HB3 . 25683 1 89 . 1 1 16 16 GLY H H 1 7.817 0.010 . 1 . . . A 16 GLY H . 25683 1 90 . 1 1 16 16 GLY HA2 H 1 3.444 0.010 . 2 . . . A 16 GLY HA2 . 25683 1 91 . 1 1 16 16 GLY HA3 H 1 3.977 0.010 . 2 . . . A 16 GLY HA3 . 25683 1 92 . 1 1 17 17 LYS H H 1 7.760 0.002 . 1 . . . A 17 LYS H . 25683 1 93 . 1 1 17 17 LYS HA H 1 4.363 0.001 . 1 . . . A 17 LYS HA . 25683 1 94 . 1 1 17 17 LYS HB2 H 1 1.792 0.010 . 2 . . . A 17 LYS HB2 . 25683 1 95 . 1 1 17 17 LYS HB3 H 1 1.784 0.010 . 2 . . . A 17 LYS HB3 . 25683 1 96 . 1 1 17 17 LYS HG2 H 1 1.158 0.010 . 2 . . . A 17 LYS HG2 . 25683 1 97 . 1 1 17 17 LYS HG3 H 1 1.139 0.010 . 2 . . . A 17 LYS HG3 . 25683 1 98 . 1 1 17 17 LYS HD2 H 1 1.315 0.001 . 2 . . . A 17 LYS HD2 . 25683 1 99 . 1 1 17 17 LYS HD3 H 1 1.214 0.010 . 2 . . . A 17 LYS HD3 . 25683 1 100 . 1 1 17 17 LYS HE2 H 1 2.513 0.010 . 2 . . . A 17 LYS HE2 . 25683 1 101 . 1 1 18 18 THR H H 1 8.531 0.010 . 1 . . . A 18 THR H . 25683 1 102 . 1 1 18 18 THR HA H 1 4.807 0.010 . 1 . . . A 18 THR HA . 25683 1 103 . 1 1 18 18 THR HB H 1 3.721 0.010 . 1 . . . A 18 THR HB . 25683 1 104 . 1 1 18 18 THR HG21 H 1 0.673 0.010 . 1 . . . A 18 THR MG . 25683 1 105 . 1 1 18 18 THR HG22 H 1 0.673 0.010 . 1 . . . A 18 THR MG . 25683 1 106 . 1 1 18 18 THR HG23 H 1 0.673 0.010 . 1 . . . A 18 THR MG . 25683 1 107 . 1 1 19 19 TYR H H 1 8.575 0.010 . 1 . . . A 19 TYR H . 25683 1 108 . 1 1 19 19 TYR HA H 1 4.616 0.003 . 1 . . . A 19 TYR HA . 25683 1 109 . 1 1 19 19 TYR HB2 H 1 2.260 0.010 . 2 . . . A 19 TYR HB2 . 25683 1 110 . 1 1 19 19 TYR HB3 H 1 2.121 0.010 . 2 . . . A 19 TYR HB3 . 25683 1 111 . 1 1 19 19 TYR HD2 H 1 6.526 0.010 . 3 . . . A 19 TYR HD2 . 25683 1 112 . 1 1 19 19 TYR HE2 H 1 6.143 0.001 . 3 . . . A 19 TYR HE2 . 25683 1 113 . 1 1 20 20 TYR H H 1 8.820 0.001 . 1 . . . A 20 TYR H . 25683 1 114 . 1 1 20 20 TYR HA H 1 4.836 0.010 . 1 . . . A 20 TYR HA . 25683 1 115 . 1 1 20 20 TYR HB2 H 1 2.622 0.010 . 2 . . . A 20 TYR HB2 . 25683 1 116 . 1 1 20 20 TYR HB3 H 1 2.454 0.010 . 2 . . . A 20 TYR HB3 . 25683 1 117 . 1 1 20 20 TYR HD1 H 1 7.219 0.010 . 3 . . . A 20 TYR HD1 . 25683 1 118 . 1 1 20 20 TYR HE1 H 1 6.530 0.010 . 3 . . . A 20 TYR HE1 . 25683 1 119 . 1 1 21 21 TYR H H 1 9.355 0.010 . 1 . . . A 21 TYR H . 25683 1 120 . 1 1 21 21 TYR HA H 1 5.294 0.010 . 1 . . . A 21 TYR HA . 25683 1 121 . 1 1 21 21 TYR HB2 H 1 2.886 0.002 . 2 . . . A 21 TYR HB2 . 25683 1 122 . 1 1 21 21 TYR HB3 H 1 2.716 0.010 . 2 . . . A 21 TYR HB3 . 25683 1 123 . 1 1 21 21 TYR HD2 H 1 6.849 0.010 . 3 . . . A 21 TYR HD2 . 25683 1 124 . 1 1 21 21 TYR HE2 H 1 6.434 0.001 . 3 . . . A 21 TYR HE2 . 25683 1 125 . 1 1 22 22 ASN H H 1 8.224 0.010 . 1 . . . A 22 ASN H . 25683 1 126 . 1 1 22 22 ASN HA H 1 4.179 0.010 . 1 . . . A 22 ASN HA . 25683 1 127 . 1 1 22 22 ASN HB2 H 1 2.493 0.010 . 2 . . . A 22 ASN HB2 . 25683 1 128 . 1 1 22 22 ASN HB3 H 1 0.812 0.010 . 2 . . . A 22 ASN HB3 . 25683 1 129 . 1 1 22 22 ASN HD21 H 1 7.216 0.010 . 2 . . . A 22 ASN HD21 . 25683 1 130 . 1 1 22 22 ASN HD22 H 1 7.091 0.010 . 2 . . . A 22 ASN HD22 . 25683 1 131 . 1 1 23 23 ASN H H 1 8.494 0.001 . 1 . . . A 23 ASN H . 25683 1 132 . 1 1 23 23 ASN HA H 1 4.014 0.002 . 1 . . . A 23 ASN HA . 25683 1 133 . 1 1 23 23 ASN HB2 H 1 2.530 0.010 . 2 . . . A 23 ASN HB2 . 25683 1 134 . 1 1 23 23 ASN HB3 H 1 2.498 0.010 . 2 . . . A 23 ASN HB3 . 25683 1 135 . 1 1 23 23 ASN HD21 H 1 7.128 0.010 . 2 . . . A 23 ASN HD21 . 25683 1 136 . 1 1 23 23 ASN HD22 H 1 7.084 0.010 . 2 . . . A 23 ASN HD22 . 25683 1 137 . 1 1 24 24 ARG H H 1 8.352 0.010 . 1 . . . A 24 ARG H . 25683 1 138 . 1 1 24 24 ARG HA H 1 4.106 0.010 . 1 . . . A 24 ARG HA . 25683 1 139 . 1 1 24 24 ARG HB2 H 1 1.759 0.002 . 2 . . . A 24 ARG HB2 . 25683 1 140 . 1 1 24 24 ARG HB3 H 1 1.257 0.010 . 2 . . . A 24 ARG HB3 . 25683 1 141 . 1 1 24 24 ARG HG2 H 1 1.456 0.010 . 2 . . . A 24 ARG HG2 . 25683 1 142 . 1 1 24 24 ARG HG3 H 1 1.100 0.010 . 2 . . . A 24 ARG HG3 . 25683 1 143 . 1 1 24 24 ARG HD2 H 1 3.042 0.010 . 2 . . . A 24 ARG HD2 . 25683 1 144 . 1 1 24 24 ARG HD3 H 1 2.805 0.010 . 2 . . . A 24 ARG HD3 . 25683 1 145 . 1 1 24 24 ARG HE H 1 7.721 0.010 . 1 . . . A 24 ARG HE . 25683 1 146 . 1 1 25 25 THR H H 1 7.881 0.010 . 1 . . . A 25 THR H . 25683 1 147 . 1 1 25 25 THR HA H 1 3.851 0.004 . 1 . . . A 25 THR HA . 25683 1 148 . 1 1 25 25 THR HB H 1 4.040 0.010 . 1 . . . A 25 THR HB . 25683 1 149 . 1 1 25 25 THR HG21 H 1 0.760 0.010 . 1 . . . A 25 THR MG . 25683 1 150 . 1 1 25 25 THR HG22 H 1 0.760 0.010 . 1 . . . A 25 THR MG . 25683 1 151 . 1 1 25 25 THR HG23 H 1 0.760 0.010 . 1 . . . A 25 THR MG . 25683 1 152 . 1 1 26 26 LEU H H 1 7.764 0.010 . 1 . . . A 26 LEU H . 25683 1 153 . 1 1 26 26 LEU HA H 1 3.572 0.003 . 1 . . . A 26 LEU HA . 25683 1 154 . 1 1 26 26 LEU HB2 H 1 1.895 0.010 . 2 . . . A 26 LEU HB2 . 25683 1 155 . 1 1 26 26 LEU HB3 H 1 1.476 0.010 . 2 . . . A 26 LEU HB3 . 25683 1 156 . 1 1 26 26 LEU HG H 1 1.102 0.002 . 1 . . . A 26 LEU HG . 25683 1 157 . 1 1 26 26 LEU HD11 H 1 0.646 0.004 . 2 . . . A 26 LEU MD1 . 25683 1 158 . 1 1 26 26 LEU HD12 H 1 0.646 0.004 . 2 . . . A 26 LEU MD1 . 25683 1 159 . 1 1 26 26 LEU HD13 H 1 0.646 0.004 . 2 . . . A 26 LEU MD1 . 25683 1 160 . 1 1 26 26 LEU HD21 H 1 0.595 0.010 . 2 . . . A 26 LEU MD2 . 25683 1 161 . 1 1 26 26 LEU HD22 H 1 0.595 0.010 . 2 . . . A 26 LEU MD2 . 25683 1 162 . 1 1 26 26 LEU HD23 H 1 0.595 0.010 . 2 . . . A 26 LEU MD2 . 25683 1 163 . 1 1 27 27 GLU H H 1 6.840 0.001 . 1 . . . A 27 GLU H . 25683 1 164 . 1 1 27 27 GLU HA H 1 4.132 0.002 . 1 . . . A 27 GLU HA . 25683 1 165 . 1 1 27 27 GLU HB2 H 1 1.666 0.004 . 2 . . . A 27 GLU HB2 . 25683 1 166 . 1 1 27 27 GLU HB3 H 1 1.533 0.010 . 2 . . . A 27 GLU HB3 . 25683 1 167 . 1 1 27 27 GLU HG2 H 1 2.007 0.001 . 2 . . . A 27 GLU HG2 . 25683 1 168 . 1 1 27 27 GLU HG3 H 1 1.912 0.002 . 2 . . . A 27 GLU HG3 . 25683 1 169 . 1 1 28 28 SER H H 1 7.943 0.001 . 1 . . . A 28 SER H . 25683 1 170 . 1 1 28 28 SER HA H 1 5.562 0.010 . 1 . . . A 28 SER HA . 25683 1 171 . 1 1 28 28 SER HB2 H 1 3.378 0.010 . 2 . . . A 28 SER HB2 . 25683 1 172 . 1 1 28 28 SER HB3 H 1 3.348 0.010 . 2 . . . A 28 SER HB3 . 25683 1 173 . 1 1 29 29 TYR H H 1 9.218 0.010 . 1 . . . A 29 TYR H . 25683 1 174 . 1 1 29 29 TYR HA H 1 4.627 0.001 . 1 . . . A 29 TYR HA . 25683 1 175 . 1 1 29 29 TYR HB2 H 1 3.179 0.010 . 2 . . . A 29 TYR HB2 . 25683 1 176 . 1 1 29 29 TYR HB3 H 1 2.580 0.010 . 2 . . . A 29 TYR HB3 . 25683 1 177 . 1 1 29 29 TYR HD2 H 1 7.094 0.001 . 3 . . . A 29 TYR HD2 . 25683 1 178 . 1 1 29 29 TYR HE2 H 1 6.605 0.003 . 3 . . . A 29 TYR HE2 . 25683 1 179 . 1 1 30 30 TRP H H 1 8.718 0.010 . 1 . . . A 30 TRP H . 25683 1 180 . 1 1 30 30 TRP HA H 1 4.794 0.010 . 1 . . . A 30 TRP HA . 25683 1 181 . 1 1 30 30 TRP HB2 H 1 3.390 0.010 . 2 . . . A 30 TRP HB2 . 25683 1 182 . 1 1 30 30 TRP HB3 H 1 2.982 0.010 . 2 . . . A 30 TRP HB3 . 25683 1 183 . 1 1 30 30 TRP HD1 H 1 7.176 0.010 . 1 . . . A 30 TRP HD1 . 25683 1 184 . 1 1 30 30 TRP HE1 H 1 9.951 0.010 . 1 . . . A 30 TRP HE1 . 25683 1 185 . 1 1 30 30 TRP HE3 H 1 7.826 0.010 . 1 . . . A 30 TRP HE3 . 25683 1 186 . 1 1 30 30 TRP HZ2 H 1 7.118 0.010 . 1 . . . A 30 TRP HZ2 . 25683 1 187 . 1 1 30 30 TRP HZ3 H 1 6.666 0.010 . 1 . . . A 30 TRP HZ3 . 25683 1 188 . 1 1 30 30 TRP HH2 H 1 6.835 0.001 . 1 . . . A 30 TRP HH2 . 25683 1 189 . 1 1 31 31 GLU H H 1 7.604 0.010 . 1 . . . A 31 GLU H . 25683 1 190 . 1 1 31 31 GLU HA H 1 4.304 0.010 . 1 . . . A 31 GLU HA . 25683 1 191 . 1 1 31 31 GLU HB2 H 1 1.696 0.010 . 2 . . . A 31 GLU HB2 . 25683 1 192 . 1 1 31 31 GLU HB3 H 1 1.648 0.010 . 2 . . . A 31 GLU HB3 . 25683 1 193 . 1 1 31 31 GLU HG2 H 1 2.019 0.010 . 2 . . . A 31 GLU HG2 . 25683 1 194 . 1 1 31 31 GLU HG3 H 1 2.003 0.010 . 2 . . . A 31 GLU HG3 . 25683 1 195 . 1 1 32 32 LYS H H 1 8.167 0.010 . 1 . . . A 32 LYS H . 25683 1 196 . 1 1 32 32 LYS HA H 1 2.839 0.002 . 1 . . . A 32 LYS HA . 25683 1 197 . 1 1 32 32 LYS HB2 H 1 0.973 0.010 . 2 . . . A 32 LYS HB2 . 25683 1 198 . 1 1 32 32 LYS HB3 H 1 0.857 0.010 . 2 . . . A 32 LYS HB3 . 25683 1 199 . 1 1 32 32 LYS HG2 H 1 0.400 0.010 . 2 . . . A 32 LYS HG2 . 25683 1 200 . 1 1 32 32 LYS HG3 H 1 0.111 0.010 . 2 . . . A 32 LYS HG3 . 25683 1 201 . 1 1 32 32 LYS HE2 H 1 2.768 0.010 . 2 . . . A 32 LYS HE2 . 25683 1 202 . 1 1 32 32 LYS HZ1 H 1 6.510 0.002 . 1 . . . A 32 LYS QZ . 25683 1 203 . 1 1 32 32 LYS HZ2 H 1 6.510 0.002 . 1 . . . A 32 LYS QZ . 25683 1 204 . 1 1 32 32 LYS HZ3 H 1 6.510 0.002 . 1 . . . A 32 LYS QZ . 25683 1 205 . 1 1 33 33 PRO HA H 1 3.809 0.010 . 1 . . . A 33 PRO HA . 25683 1 206 . 1 1 33 33 PRO HB2 H 1 1.464 0.010 . 2 . . . A 33 PRO HB2 . 25683 1 207 . 1 1 33 33 PRO HB3 H 1 1.067 0.010 . 2 . . . A 33 PRO HB3 . 25683 1 208 . 1 1 33 33 PRO HG2 H 1 0.477 0.001 . 2 . . . A 33 PRO HG2 . 25683 1 209 . 1 1 33 33 PRO HG3 H 1 0.120 0.010 . 2 . . . A 33 PRO HG3 . 25683 1 210 . 1 1 33 33 PRO HD2 H 1 2.751 0.010 . 2 . . . A 33 PRO HD2 . 25683 1 211 . 1 1 33 33 PRO HD3 H 1 2.244 0.010 . 2 . . . A 33 PRO HD3 . 25683 1 212 . 1 1 34 34 GLN H H 1 8.329 0.010 . 1 . . . A 34 GLN H . 25683 1 213 . 1 1 34 34 GLN HA H 1 3.650 0.010 . 1 . . . A 34 GLN HA . 25683 1 214 . 1 1 34 34 GLN HB2 H 1 1.750 0.010 . 2 . . . A 34 GLN HB2 . 25683 1 215 . 1 1 34 34 GLN HB3 H 1 1.702 0.010 . 2 . . . A 34 GLN HB3 . 25683 1 216 . 1 1 34 34 GLN HG2 H 1 2.117 0.010 . 2 . . . A 34 GLN HG2 . 25683 1 217 . 1 1 34 34 GLN HE21 H 1 7.405 0.010 . 2 . . . A 34 GLN HE21 . 25683 1 218 . 1 1 34 34 GLN HE22 H 1 6.690 0.003 . 2 . . . A 34 GLN HE22 . 25683 1 219 . 1 1 35 35 GLU H H 1 8.711 0.010 . 1 . . . A 35 GLU H . 25683 1 220 . 1 1 35 35 GLU HA H 1 3.941 0.010 . 1 . . . A 35 GLU HA . 25683 1 221 . 1 1 35 35 GLU HB2 H 1 1.792 0.010 . 2 . . . A 35 GLU HB2 . 25683 1 222 . 1 1 35 35 GLU HB3 H 1 1.694 0.010 . 2 . . . A 35 GLU HB3 . 25683 1 223 . 1 1 35 35 GLU HG2 H 1 2.031 0.010 . 2 . . . A 35 GLU HG2 . 25683 1 224 . 1 1 35 35 GLU HG3 H 1 2.016 0.010 . 2 . . . A 35 GLU HG3 . 25683 1 225 . 1 1 36 36 LEU H H 1 7.602 0.010 . 1 . . . A 36 LEU H . 25683 1 226 . 1 1 36 36 LEU HA H 1 4.129 0.010 . 1 . . . A 36 LEU HA . 25683 1 227 . 1 1 36 36 LEU HB2 H 1 1.307 0.010 . 2 . . . A 36 LEU HB2 . 25683 1 228 . 1 1 36 36 LEU HB3 H 1 1.053 0.010 . 2 . . . A 36 LEU HB3 . 25683 1 229 . 1 1 36 36 LEU HG H 1 1.080 0.010 . 1 . . . A 36 LEU HG . 25683 1 230 . 1 1 36 36 LEU HD11 H 1 0.564 0.010 . 2 . . . A 36 LEU MD1 . 25683 1 231 . 1 1 36 36 LEU HD12 H 1 0.564 0.010 . 2 . . . A 36 LEU MD1 . 25683 1 232 . 1 1 36 36 LEU HD13 H 1 0.564 0.010 . 2 . . . A 36 LEU MD1 . 25683 1 233 . 1 1 36 36 LEU HD21 H 1 0.480 0.010 . 2 . . . A 36 LEU MD2 . 25683 1 234 . 1 1 36 36 LEU HD22 H 1 0.480 0.010 . 2 . . . A 36 LEU MD2 . 25683 1 235 . 1 1 36 36 LEU HD23 H 1 0.480 0.010 . 2 . . . A 36 LEU MD2 . 25683 1 236 . 1 1 37 37 LYS H H 1 7.502 0.010 . 1 . . . A 37 LYS H . 25683 1 237 . 1 1 37 37 LYS HA H 1 3.786 0.010 . 1 . . . A 37 LYS HA . 25683 1 238 . 1 1 37 37 LYS HB2 H 1 1.569 0.010 . 2 . . . A 37 LYS HB2 . 25683 1 239 . 1 1 37 37 LYS HB3 H 1 1.465 0.010 . 2 . . . A 37 LYS HB3 . 25683 1 240 . 1 1 37 37 LYS HG2 H 1 1.142 0.010 . 2 . . . A 37 LYS HG2 . 25683 1 241 . 1 1 37 37 LYS HG3 H 1 1.037 0.010 . 2 . . . A 37 LYS HG3 . 25683 1 242 . 1 1 37 37 LYS HD2 H 1 1.385 0.002 . 2 . . . A 37 LYS HD2 . 25683 1 243 . 1 1 37 37 LYS HE2 H 1 2.939 0.473 . 2 . . . A 37 LYS HE2 . 25683 1 244 . 1 1 37 37 LYS HZ1 H 1 7.436 0.010 . 1 . . . A 37 LYS QZ . 25683 1 245 . 1 1 37 37 LYS HZ2 H 1 7.436 0.010 . 1 . . . A 37 LYS QZ . 25683 1 246 . 1 1 37 37 LYS HZ3 H 1 7.436 0.010 . 1 . . . A 37 LYS QZ . 25683 1 stop_ save_