################################### # 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_1H_shift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 1H_shift _Assigned_chem_shift_list.Entry_ID 4891 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_sample_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 DQF-COSY 1 $sample_1 . 4891 1 2 TQF-COSY 1 $sample_1 . 4891 1 3 TOCSY 1 $sample_1 . 4891 1 4 NOESY 1 $sample_1 . 4891 1 5 E-COSY 1 $sample_1 . 4891 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 LEU HA H 1 4.170 0.01 . 1 . . . . . . . . . 4891 1 2 . 1 1 1 1 LEU HB2 H 1 1.466 0.01 . 1 . . . . . . . . . 4891 1 3 . 1 1 1 1 LEU HB3 H 1 1.466 0.01 . 1 . . . . . . . . . 4891 1 4 . 1 1 1 1 LEU HG H 1 1.411 0.01 . 1 . . . . . . . . . 4891 1 5 . 1 1 1 1 LEU HD11 H 1 0.694 0.01 . 2 . . . . . . . . . 4891 1 6 . 1 1 1 1 LEU HD12 H 1 0.694 0.01 . 2 . . . . . . . . . 4891 1 7 . 1 1 1 1 LEU HD13 H 1 0.694 0.01 . 2 . . . . . . . . . 4891 1 8 . 1 1 1 1 LEU HD21 H 1 0.569 0.01 . 2 . . . . . . . . . 4891 1 9 . 1 1 1 1 LEU HD22 H 1 0.569 0.01 . 2 . . . . . . . . . 4891 1 10 . 1 1 1 1 LEU HD23 H 1 0.569 0.01 . 2 . . . . . . . . . 4891 1 11 . 1 1 2 2 GLU H H 1 8.604 0.01 . 1 . . . . . . . . . 4891 1 12 . 1 1 2 2 GLU HA H 1 5.142 0.01 . 1 . . . . . . . . . 4891 1 13 . 1 1 2 2 GLU HB2 H 1 1.768 0.01 . 1 . . . . . . . . . 4891 1 14 . 1 1 2 2 GLU HB3 H 1 1.768 0.01 . 1 . . . . . . . . . 4891 1 15 . 1 1 2 2 GLU HG2 H 1 2.112 0.01 . 2 . . . . . . . . . 4891 1 16 . 1 1 2 2 GLU HG3 H 1 1.956 0.01 . 2 . . . . . . . . . 4891 1 17 . 1 1 3 3 CYS H H 1 8.548 0.01 . 1 . . . . . . . . . 4891 1 18 . 1 1 3 3 CYS HA H 1 5.024 0.01 . 1 . . . . . . . . . 4891 1 19 . 1 1 3 3 CYS HB2 H 1 2.932 0.01 . 1 . . . . . . . . . 4891 1 20 . 1 1 3 3 CYS HB3 H 1 2.320 0.01 . 1 . . . . . . . . . 4891 1 21 . 1 1 4 4 HIS H H 1 9.589 0.01 . 1 . . . . . . . . . 4891 1 22 . 1 1 4 4 HIS HA H 1 5.255 0.01 . 1 . . . . . . . . . 4891 1 23 . 1 1 4 4 HIS HB2 H 1 3.626 0.01 . 1 . . . . . . . . . 4891 1 24 . 1 1 4 4 HIS HB3 H 1 2.766 0.01 . 1 . . . . . . . . . 4891 1 25 . 1 1 4 4 HIS HD2 H 1 6.695 0.01 . 1 . . . . . . . . . 4891 1 26 . 1 1 4 4 HIS HE1 H 1 8.370 0.01 . 1 . . . . . . . . . 4891 1 27 . 1 1 5 5 ASN H H 1 8.333 0.01 . 1 . . . . . . . . . 4891 1 28 . 1 1 5 5 ASN HA H 1 4.830 0.01 . 1 . . . . . . . . . 4891 1 29 . 1 1 5 5 ASN HB2 H 1 2.272 0.01 . 1 . . . . . . . . . 4891 1 30 . 1 1 5 5 ASN HB3 H 1 3.056 0.01 . 1 . . . . . . . . . 4891 1 31 . 1 1 5 5 ASN HD21 H 1 6.920 0.01 . 1 . . . . . . . . . 4891 1 32 . 1 1 5 5 ASN HD22 H 1 7.577 0.01 . 1 . . . . . . . . . 4891 1 33 . 1 1 6 6 GLN H H 1 9.068 0.01 . 1 . . . . . . . . . 4891 1 34 . 1 1 6 6 GLN HA H 1 4.570 0.01 . 1 . . . . . . . . . 4891 1 35 . 1 1 6 6 GLN HB2 H 1 1.946 0.01 . 1 . . . . . . . . . 4891 1 36 . 1 1 6 6 GLN HB3 H 1 2.603 0.01 . 1 . . . . . . . . . 4891 1 37 . 1 1 6 6 GLN HG2 H 1 2.066 0.01 . 2 . . . . . . . . . 4891 1 38 . 1 1 6 6 GLN HG3 H 1 2.508 0.01 . 2 . . . . . . . . . 4891 1 39 . 1 1 7 7 GLN H H 1 8.440 0.01 . 1 . . . . . . . . . 4891 1 40 . 1 1 7 7 GLN HA H 1 4.701 0.01 . 1 . . . . . . . . . 4891 1 41 . 1 1 7 7 GLN HB2 H 1 2.005 0.01 . 1 . . . . . . . . . 4891 1 42 . 1 1 7 7 GLN HB3 H 1 2.271 0.01 . 1 . . . . . . . . . 4891 1 43 . 1 1 7 7 GLN HG2 H 1 2.580 0.01 . 1 . . . . . . . . . 4891 1 44 . 1 1 7 7 GLN HG3 H 1 2.580 0.01 . 1 . . . . . . . . . 4891 1 45 . 1 1 8 8 SER H H 1 8.966 0.01 . 1 . . . . . . . . . 4891 1 46 . 1 1 8 8 SER HA H 1 4.173 0.01 . 1 . . . . . . . . . 4891 1 47 . 1 1 8 8 SER HB2 H 1 3.789 0.01 . 1 . . . . . . . . . 4891 1 48 . 1 1 8 8 SER HB3 H 1 3.789 0.01 . 1 . . . . . . . . . 4891 1 49 . 1 1 9 9 SER H H 1 8.456 0.01 . 1 . . . . . . . . . 4891 1 50 . 1 1 9 9 SER HA H 1 4.013 0.01 . 1 . . . . . . . . . 4891 1 51 . 1 1 9 9 SER HB2 H 1 4.669 0.01 . 1 . . . . . . . . . 4891 1 52 . 1 1 9 9 SER HB3 H 1 4.669 0.01 . 1 . . . . . . . . . 4891 1 53 . 1 1 10 10 GLN H H 1 7.943 0.01 . 1 . . . . . . . . . 4891 1 54 . 1 1 10 10 GLN HA H 1 4.283 0.01 . 1 . . . . . . . . . 4891 1 55 . 1 1 10 10 GLN HB2 H 1 2.072 0.01 . 1 . . . . . . . . . 4891 1 56 . 1 1 10 10 GLN HB3 H 1 2.291 0.01 . 1 . . . . . . . . . 4891 1 57 . 1 1 10 10 GLN HG2 H 1 2.550 0.01 . 2 . . . . . . . . . 4891 1 58 . 1 1 10 10 GLN HG3 H 1 2.461 0.01 . 2 . . . . . . . . . 4891 1 59 . 1 1 10 10 GLN HE21 H 1 7.735 0.01 . 1 . . . . . . . . . 4891 1 60 . 1 1 10 10 GLN HE22 H 1 6.578 0.01 . 1 . . . . . . . . . 4891 1 61 . 1 1 11 11 THR H H 1 8.237 0.01 . 1 . . . . . . . . . 4891 1 62 . 1 1 11 11 THR HA H 1 4.287 0.01 . 1 . . . . . . . . . 4891 1 63 . 1 1 11 11 THR HB H 1 3.998 0.01 . 1 . . . . . . . . . 4891 1 64 . 1 1 11 11 THR HG21 H 1 1.280 0.01 . 1 . . . . . . . . . 4891 1 65 . 1 1 11 11 THR HG22 H 1 1.280 0.01 . 1 . . . . . . . . . 4891 1 66 . 1 1 11 11 THR HG23 H 1 1.280 0.01 . 1 . . . . . . . . . 4891 1 67 . 1 1 12 12 PRO HA H 1 3.896 0.01 . 1 . . . . . . . . . 4891 1 68 . 1 1 12 12 PRO HB2 H 1 1.890 0.01 . 1 . . . . . . . . . 4891 1 69 . 1 1 12 12 PRO HB3 H 1 1.890 0.01 . 1 . . . . . . . . . 4891 1 70 . 1 1 12 12 PRO HG2 H 1 1.772 0.01 . 2 . . . . . . . . . 4891 1 71 . 1 1 12 12 PRO HG3 H 1 2.060 0.01 . 2 . . . . . . . . . 4891 1 72 . 1 1 12 12 PRO HD2 H 1 3.624 0.01 . 2 . . . . . . . . . 4891 1 73 . 1 1 12 12 PRO HD3 H 1 3.978 0.01 . 2 . . . . . . . . . 4891 1 74 . 1 1 13 13 THR H H 1 7.967 0.01 . 1 . . . . . . . . . 4891 1 75 . 1 1 13 13 THR HA H 1 4.784 0.01 . 1 . . . . . . . . . 4891 1 76 . 1 1 13 13 THR HB H 1 4.524 0.01 . 1 . . . . . . . . . 4891 1 77 . 1 1 13 13 THR HG21 H 1 1.233 0.01 . 1 . . . . . . . . . 4891 1 78 . 1 1 13 13 THR HG22 H 1 1.233 0.01 . 1 . . . . . . . . . 4891 1 79 . 1 1 13 13 THR HG23 H 1 1.233 0.01 . 1 . . . . . . . . . 4891 1 80 . 1 1 14 14 THR H H 1 8.694 0.01 . 1 . . . . . . . . . 4891 1 81 . 1 1 14 14 THR HA H 1 4.984 0.01 . 1 . . . . . . . . . 4891 1 82 . 1 1 14 14 THR HB H 1 3.752 0.01 . 1 . . . . . . . . . 4891 1 83 . 1 1 14 14 THR HG21 H 1 0.595 0.01 . 1 . . . . . . . . . 4891 1 84 . 1 1 14 14 THR HG22 H 1 0.595 0.01 . 1 . . . . . . . . . 4891 1 85 . 1 1 14 14 THR HG23 H 1 0.595 0.01 . 1 . . . . . . . . . 4891 1 86 . 1 1 15 15 THR H H 1 8.639 0.01 . 1 . . . . . . . . . 4891 1 87 . 1 1 15 15 THR HA H 1 4.646 0.01 . 1 . . . . . . . . . 4891 1 88 . 1 1 15 15 THR HB H 1 3.855 0.01 . 1 . . . . . . . . . 4891 1 89 . 1 1 15 15 THR HG21 H 1 1.026 0.01 . 1 . . . . . . . . . 4891 1 90 . 1 1 15 15 THR HG22 H 1 1.026 0.01 . 1 . . . . . . . . . 4891 1 91 . 1 1 15 15 THR HG23 H 1 1.026 0.01 . 1 . . . . . . . . . 4891 1 92 . 1 1 16 16 GLY H H 1 8.304 0.01 . 1 . . . . . . . . . 4891 1 93 . 1 1 16 16 GLY HA2 H 1 4.446 0.01 . 1 . . . . . . . . . 4891 1 94 . 1 1 16 16 GLY HA3 H 1 3.697 0.01 . 1 . . . . . . . . . 4891 1 95 . 1 1 17 17 CYS H H 1 8.468 0.01 . 1 . . . . . . . . . 4891 1 96 . 1 1 17 17 CYS HA H 1 5.038 0.01 . 1 . . . . . . . . . 4891 1 97 . 1 1 17 17 CYS HB2 H 1 3.574 0.01 . 1 . . . . . . . . . 4891 1 98 . 1 1 17 17 CYS HB3 H 1 2.799 0.01 . 1 . . . . . . . . . 4891 1 99 . 1 1 18 18 SER H H 1 9.111 0.01 . 1 . . . . . . . . . 4891 1 100 . 1 1 18 18 SER HA H 1 4.522 0.01 . 1 . . . . . . . . . 4891 1 101 . 1 1 18 18 SER HB2 H 1 3.953 0.01 . 2 . . . . . . . . . 4891 1 102 . 1 1 18 18 SER HB3 H 1 4.000 0.01 . 2 . . . . . . . . . 4891 1 103 . 1 1 19 19 GLY H H 1 8.929 0.01 . 1 . . . . . . . . . 4891 1 104 . 1 1 19 19 GLY HA2 H 1 4.066 0.01 . 2 . . . . . . . . . 4891 1 105 . 1 1 19 19 GLY HA3 H 1 3.805 0.01 . 2 . . . . . . . . . 4891 1 106 . 1 1 20 20 GLY H H 1 8.570 0.01 . 1 . . . . . . . . . 4891 1 107 . 1 1 20 20 GLY HA2 H 1 4.058 0.01 . 1 . . . . . . . . . 4891 1 108 . 1 1 20 20 GLY HA3 H 1 3.790 0.01 . 1 . . . . . . . . . 4891 1 109 . 1 1 21 21 GLU H H 1 8.114 0.01 . 1 . . . . . . . . . 4891 1 110 . 1 1 21 21 GLU HA H 1 4.215 0.01 . 1 . . . . . . . . . 4891 1 111 . 1 1 21 21 GLU HB2 H 1 2.027 0.01 . 1 . . . . . . . . . 4891 1 112 . 1 1 21 21 GLU HB3 H 1 2.183 0.01 . 1 . . . . . . . . . 4891 1 113 . 1 1 21 21 GLU HG2 H 1 2.513 0.01 . 2 . . . . . . . . . 4891 1 114 . 1 1 21 21 GLU HG3 H 1 2.432 0.01 . 2 . . . . . . . . . 4891 1 115 . 1 1 22 22 ASN H H 1 8.268 0.01 . 1 . . . . . . . . . 4891 1 116 . 1 1 22 22 ASN HA H 1 4.432 0.01 . 1 . . . . . . . . . 4891 1 117 . 1 1 22 22 ASN HB2 H 1 1.199 0.01 . 1 . . . . . . . . . 4891 1 118 . 1 1 22 22 ASN HB3 H 1 1.199 0.01 . 1 . . . . . . . . . 4891 1 119 . 1 1 23 23 ASN H H 1 8.552 0.01 . 1 . . . . . . . . . 4891 1 120 . 1 1 23 23 ASN HA H 1 5.613 0.01 . 1 . . . . . . . . . 4891 1 121 . 1 1 23 23 ASN HB2 H 1 2.653 0.01 . 1 . . . . . . . . . 4891 1 122 . 1 1 23 23 ASN HB3 H 1 2.322 0.01 . 1 . . . . . . . . . 4891 1 123 . 1 1 23 23 ASN HD21 H 1 7.075 0.01 . 1 . . . . . . . . . 4891 1 124 . 1 1 23 23 ASN HD22 H 1 6.693 0.01 . 1 . . . . . . . . . 4891 1 125 . 1 1 24 24 CYS H H 1 9.107 0.01 . 1 . . . . . . . . . 4891 1 126 . 1 1 24 24 CYS HA H 1 5.669 0.01 . 1 . . . . . . . . . 4891 1 127 . 1 1 24 24 CYS HB2 H 1 2.779 0.01 . 1 . . . . . . . . . 4891 1 128 . 1 1 24 24 CYS HB3 H 1 3.272 0.01 . 1 . . . . . . . . . 4891 1 129 . 1 1 25 25 TYR H H 1 8.853 0.01 . 1 . . . . . . . . . 4891 1 130 . 1 1 25 25 TYR HA H 1 6.202 0.01 . 1 . . . . . . . . . 4891 1 131 . 1 1 25 25 TYR HB2 H 1 2.832 0.01 . 1 . . . . . . . . . 4891 1 132 . 1 1 25 25 TYR HB3 H 1 3.882 0.01 . 1 . . . . . . . . . 4891 1 133 . 1 1 25 25 TYR HD1 H 1 6.726 0.01 . 3 . . . . . . . . . 4891 1 134 . 1 1 25 25 TYR HE1 H 1 6.535 0.01 . 3 . . . . . . . . . 4891 1 135 . 1 1 26 26 LYS H H 1 8.850 0.01 . 1 . . . . . . . . . 4891 1 136 . 1 1 26 26 LYS HA H 1 5.117 0.01 . 1 . . . . . . . . . 4891 1 137 . 1 1 26 26 LYS HB2 H 1 1.890 0.01 . 1 . . . . . . . . . 4891 1 138 . 1 1 26 26 LYS HB3 H 1 1.566 0.01 . 1 . . . . . . . . . 4891 1 139 . 1 1 26 26 LYS HG2 H 1 1.204 0.01 . 1 . . . . . . . . . 4891 1 140 . 1 1 26 26 LYS HG3 H 1 1.204 0.01 . 1 . . . . . . . . . 4891 1 141 . 1 1 26 26 LYS HD2 H 1 1.300 0.01 . 1 . . . . . . . . . 4891 1 142 . 1 1 26 26 LYS HD3 H 1 1.300 0.01 . 1 . . . . . . . . . 4891 1 143 . 1 1 26 26 LYS HE2 H 1 2.722 0.01 . 1 . . . . . . . . . 4891 1 144 . 1 1 26 26 LYS HE3 H 1 2.722 0.01 . 1 . . . . . . . . . 4891 1 145 . 1 1 27 27 LYS H H 1 9.891 0.01 . 1 . . . . . . . . . 4891 1 146 . 1 1 27 27 LYS HA H 1 5.669 0.01 . 1 . . . . . . . . . 4891 1 147 . 1 1 27 27 LYS HB2 H 1 2.024 0.01 . 1 . . . . . . . . . 4891 1 148 . 1 1 27 27 LYS HB3 H 1 1.870 0.01 . 1 . . . . . . . . . 4891 1 149 . 1 1 27 27 LYS HG2 H 1 1.391 0.01 . 1 . . . . . . . . . 4891 1 150 . 1 1 27 27 LYS HG3 H 1 1.391 0.01 . 1 . . . . . . . . . 4891 1 151 . 1 1 27 27 LYS HD2 H 1 1.481 0.01 . 1 . . . . . . . . . 4891 1 152 . 1 1 27 27 LYS HD3 H 1 1.481 0.01 . 1 . . . . . . . . . 4891 1 153 . 1 1 27 27 LYS HE2 H 1 2.418 0.01 . 2 . . . . . . . . . 4891 1 154 . 1 1 27 27 LYS HE3 H 1 2.363 0.01 . 2 . . . . . . . . . 4891 1 155 . 1 1 28 28 GLU H H 1 9.380 0.01 . 1 . . . . . . . . . 4891 1 156 . 1 1 28 28 GLU HA H 1 5.890 0.01 . 1 . . . . . . . . . 4891 1 157 . 1 1 28 28 GLU HB2 H 1 1.884 0.01 . 1 . . . . . . . . . 4891 1 158 . 1 1 28 28 GLU HB3 H 1 1.659 0.01 . 1 . . . . . . . . . 4891 1 159 . 1 1 28 28 GLU HG2 H 1 2.965 0.01 . 2 . . . . . . . . . 4891 1 160 . 1 1 28 28 GLU HG3 H 1 2.861 0.01 . 2 . . . . . . . . . 4891 1 161 . 1 1 29 29 TRP H H 1 8.845 0.01 . 1 . . . . . . . . . 4891 1 162 . 1 1 29 29 TRP HA H 1 5.215 0.01 . 1 . . . . . . . . . 4891 1 163 . 1 1 29 29 TRP HB2 H 1 3.539 0.01 . 1 . . . . . . . . . 4891 1 164 . 1 1 29 29 TRP HB3 H 1 3.389 0.01 . 1 . . . . . . . . . 4891 1 165 . 1 1 29 29 TRP HD1 H 1 7.018 0.01 . 1 . . . . . . . . . 4891 1 166 . 1 1 29 29 TRP HE1 H 1 10.326 0.01 . 1 . . . . . . . . . 4891 1 167 . 1 1 29 29 TRP HE3 H 1 7.293 0.01 . 1 . . . . . . . . . 4891 1 168 . 1 1 29 29 TRP HZ3 H 1 6.830 0.01 . 1 . . . . . . . . . 4891 1 169 . 1 1 29 29 TRP HH2 H 1 7.158 0.01 . 1 . . . . . . . . . 4891 1 170 . 1 1 29 29 TRP HZ2 H 1 7.372 0.01 . 1 . . . . . . . . . 4891 1 171 . 1 1 30 30 ARG H H 1 8.717 0.01 . 1 . . . . . . . . . 4891 1 172 . 1 1 30 30 ARG HA H 1 4.355 0.01 . 1 . . . . . . . . . 4891 1 173 . 1 1 30 30 ARG HB2 H 1 1.609 0.01 . 1 . . . . . . . . . 4891 1 174 . 1 1 30 30 ARG HB3 H 1 1.379 0.01 . 1 . . . . . . . . . 4891 1 175 . 1 1 30 30 ARG HG2 H 1 1.244 0.01 . 2 . . . . . . . . . 4891 1 176 . 1 1 30 30 ARG HG3 H 1 1.115 0.01 . 2 . . . . . . . . . 4891 1 177 . 1 1 30 30 ARG HD2 H 1 2.849 0.01 . 1 . . . . . . . . . 4891 1 178 . 1 1 30 30 ARG HD3 H 1 2.849 0.01 . 1 . . . . . . . . . 4891 1 179 . 1 1 30 30 ARG HE H 1 6.938 0.01 . 1 . . . . . . . . . 4891 1 180 . 1 1 31 31 ASP H H 1 8.285 0.01 . 1 . . . . . . . . . 4891 1 181 . 1 1 31 31 ASP HA H 1 4.815 0.01 . 1 . . . . . . . . . 4891 1 182 . 1 1 31 31 ASP HB2 H 1 2.620 0.01 . 1 . . . . . . . . . 4891 1 183 . 1 1 31 31 ASP HB3 H 1 2.852 0.01 . 1 . . . . . . . . . 4891 1 184 . 1 1 33 33 ARG H H 1 8.421 0.01 . 1 . . . . . . . . . 4891 1 185 . 1 1 33 33 ARG HA H 1 4.282 0.01 . 1 . . . . . . . . . 4891 1 186 . 1 1 33 33 ARG HB2 H 1 1.912 0.01 . 2 . . . . . . . . . 4891 1 187 . 1 1 33 33 ARG HB3 H 1 1.733 0.01 . 2 . . . . . . . . . 4891 1 188 . 1 1 33 33 ARG HG2 H 1 1.429 0.01 . 2 . . . . . . . . . 4891 1 189 . 1 1 33 33 ARG HG3 H 1 1.487 0.01 . 2 . . . . . . . . . 4891 1 190 . 1 1 33 33 ARG HD2 H 1 3.152 0.01 . 1 . . . . . . . . . 4891 1 191 . 1 1 33 33 ARG HD3 H 1 3.152 0.01 . 1 . . . . . . . . . 4891 1 192 . 1 1 33 33 ARG HE H 1 7.176 0.01 . 1 . . . . . . . . . 4891 1 193 . 1 1 34 34 GLY H H 1 7.725 0.01 . 1 . . . . . . . . . 4891 1 194 . 1 1 34 34 GLY HA2 H 1 4.161 0.01 . 1 . . . . . . . . . 4891 1 195 . 1 1 34 34 GLY HA3 H 1 3.788 0.01 . 1 . . . . . . . . . 4891 1 196 . 1 1 35 35 TYR H H 1 8.458 0.01 . 1 . . . . . . . . . 4891 1 197 . 1 1 35 35 TYR HA H 1 4.769 0.01 . 1 . . . . . . . . . 4891 1 198 . 1 1 35 35 TYR HB2 H 1 2.697 0.01 . 1 . . . . . . . . . 4891 1 199 . 1 1 35 35 TYR HB3 H 1 2.697 0.01 . 1 . . . . . . . . . 4891 1 200 . 1 1 35 35 TYR HD1 H 1 6.935 0.01 . 3 . . . . . . . . . 4891 1 201 . 1 1 35 35 TYR HE1 H 1 6.768 0.01 . 3 . . . . . . . . . 4891 1 202 . 1 1 36 36 ARG H H 1 8.798 0.01 . 1 . . . . . . . . . 4891 1 203 . 1 1 36 36 ARG HA H 1 4.304 0.01 . 1 . . . . . . . . . 4891 1 204 . 1 1 36 36 ARG HB2 H 1 0.177 0.01 . 1 . . . . . . . . . 4891 1 205 . 1 1 36 36 ARG HB3 H 1 0.811 0.01 . 1 . . . . . . . . . 4891 1 206 . 1 1 36 36 ARG HG2 H 1 1.000 0.01 . 1 . . . . . . . . . 4891 1 207 . 1 1 36 36 ARG HG3 H 1 1.000 0.01 . 1 . . . . . . . . . 4891 1 208 . 1 1 36 36 ARG HD2 H 1 2.842 0.01 . 2 . . . . . . . . . 4891 1 209 . 1 1 36 36 ARG HD3 H 1 2.912 0.01 . 2 . . . . . . . . . 4891 1 210 . 1 1 36 36 ARG HE H 1 7.154 0.01 . 1 . . . . . . . . . 4891 1 211 . 1 1 37 37 THR H H 1 7.725 0.01 . 1 . . . . . . . . . 4891 1 212 . 1 1 37 37 THR HA H 1 5.582 0.01 . 1 . . . . . . . . . 4891 1 213 . 1 1 37 37 THR HB H 1 3.788 0.01 . 1 . . . . . . . . . 4891 1 214 . 1 1 37 37 THR HG21 H 1 1.124 0.01 . 1 . . . . . . . . . 4891 1 215 . 1 1 37 37 THR HG22 H 1 1.124 0.01 . 1 . . . . . . . . . 4891 1 216 . 1 1 37 37 THR HG23 H 1 1.124 0.01 . 1 . . . . . . . . . 4891 1 217 . 1 1 38 38 GLU H H 1 9.540 0.01 . 1 . . . . . . . . . 4891 1 218 . 1 1 38 38 GLU HA H 1 4.928 0.01 . 1 . . . . . . . . . 4891 1 219 . 1 1 38 38 GLU HB2 H 1 2.358 0.01 . 1 . . . . . . . . . 4891 1 220 . 1 1 38 38 GLU HB3 H 1 2.281 0.01 . 1 . . . . . . . . . 4891 1 221 . 1 1 38 38 GLU HG2 H 1 2.358 0.01 . 2 . . . . . . . . . 4891 1 222 . 1 1 38 38 GLU HG3 H 1 2.281 0.01 . 2 . . . . . . . . . 4891 1 223 . 1 1 39 39 ARG H H 1 8.758 0.01 . 1 . . . . . . . . . 4891 1 224 . 1 1 39 39 ARG HA H 1 4.828 0.01 . 1 . . . . . . . . . 4891 1 225 . 1 1 39 39 ARG HB2 H 1 1.526 0.01 . 1 . . . . . . . . . 4891 1 226 . 1 1 39 39 ARG HB3 H 1 1.526 0.01 . 1 . . . . . . . . . 4891 1 227 . 1 1 39 39 ARG HG2 H 1 1.148 0.01 . 1 . . . . . . . . . 4891 1 228 . 1 1 39 39 ARG HG3 H 1 1.148 0.01 . 1 . . . . . . . . . 4891 1 229 . 1 1 40 40 GLY H H 1 6.187 0.01 . 1 . . . . . . . . . 4891 1 230 . 1 1 40 40 GLY HA2 H 1 3.831 0.01 . 2 . . . . . . . . . 4891 1 231 . 1 1 40 40 GLY HA3 H 1 3.929 0.01 . 2 . . . . . . . . . 4891 1 232 . 1 1 41 41 CYS H H 1 8.639 0.01 . 1 . . . . . . . . . 4891 1 233 . 1 1 41 41 CYS HA H 1 5.326 0.01 . 1 . . . . . . . . . 4891 1 234 . 1 1 41 41 CYS HB2 H 1 2.917 0.01 . 1 . . . . . . . . . 4891 1 235 . 1 1 41 41 CYS HB3 H 1 3.265 0.01 . 1 . . . . . . . . . 4891 1 236 . 1 1 42 42 GLY H H 1 9.326 0.01 . 1 . . . . . . . . . 4891 1 237 . 1 1 42 42 GLY HA2 H 1 3.761 0.01 . 2 . . . . . . . . . 4891 1 238 . 1 1 42 42 GLY HA3 H 1 4.363 0.01 . 2 . . . . . . . . . 4891 1 239 . 1 1 43 43 CYS H H 1 8.072 0.01 . 1 . . . . . . . . . 4891 1 240 . 1 1 43 43 CYS HA H 1 4.938 0.01 . 1 . . . . . . . . . 4891 1 241 . 1 1 43 43 CYS HB2 H 1 2.618 0.01 . 1 . . . . . . . . . 4891 1 242 . 1 1 43 43 CYS HB3 H 1 2.822 0.01 . 1 . . . . . . . . . 4891 1 243 . 1 1 44 44 PRO HA H 1 4.270 0.01 . 1 . . . . . . . . . 4891 1 244 . 1 1 44 44 PRO HB2 H 1 1.971 0.01 . 2 . . . . . . . . . 4891 1 245 . 1 1 44 44 PRO HB3 H 1 1.584 0.01 . 2 . . . . . . . . . 4891 1 246 . 1 1 44 44 PRO HG2 H 1 1.020 0.01 . 2 . . . . . . . . . 4891 1 247 . 1 1 44 44 PRO HG3 H 1 0.948 0.01 . 2 . . . . . . . . . 4891 1 248 . 1 1 44 44 PRO HD2 H 1 2.782 0.01 . 1 . . . . . . . . . 4891 1 249 . 1 1 44 44 PRO HD3 H 1 2.782 0.01 . 1 . . . . . . . . . 4891 1 250 . 1 1 45 45 SER H H 1 7.885 0.01 . 1 . . . . . . . . . 4891 1 251 . 1 1 45 45 SER HA H 1 4.344 0.01 . 1 . . . . . . . . . 4891 1 252 . 1 1 45 45 SER HB2 H 1 3.755 0.01 . 1 . . . . . . . . . 4891 1 253 . 1 1 45 45 SER HB3 H 1 3.755 0.01 . 1 . . . . . . . . . 4891 1 254 . 1 1 46 46 VAL H H 1 8.159 0.01 . 1 . . . . . . . . . 4891 1 255 . 1 1 46 46 VAL HA H 1 4.304 0.01 . 1 . . . . . . . . . 4891 1 256 . 1 1 46 46 VAL HB H 1 2.036 0.01 . 1 . . . . . . . . . 4891 1 257 . 1 1 46 46 VAL HG11 H 1 0.833 0.01 . 1 . . . . . . . . . 4891 1 258 . 1 1 46 46 VAL HG12 H 1 0.833 0.01 . 1 . . . . . . . . . 4891 1 259 . 1 1 46 46 VAL HG13 H 1 0.833 0.01 . 1 . . . . . . . . . 4891 1 260 . 1 1 46 46 VAL HG21 H 1 0.765 0.01 . 1 . . . . . . . . . 4891 1 261 . 1 1 46 46 VAL HG22 H 1 0.765 0.01 . 1 . . . . . . . . . 4891 1 262 . 1 1 46 46 VAL HG23 H 1 0.765 0.01 . 1 . . . . . . . . . 4891 1 263 . 1 1 47 47 LYS H H 1 7.620 0.01 . 1 . . . . . . . . . 4891 1 264 . 1 1 47 47 LYS HA H 1 4.411 0.01 . 1 . . . . . . . . . 4891 1 265 . 1 1 47 47 LYS HB2 H 1 1.609 0.01 . 1 . . . . . . . . . 4891 1 266 . 1 1 47 47 LYS HB3 H 1 1.609 0.01 . 1 . . . . . . . . . 4891 1 267 . 1 1 47 47 LYS HG2 H 1 1.360 0.01 . 1 . . . . . . . . . 4891 1 268 . 1 1 47 47 LYS HG3 H 1 1.360 0.01 . 1 . . . . . . . . . 4891 1 269 . 1 1 47 47 LYS HD2 H 1 1.843 0.01 . 1 . . . . . . . . . 4891 1 270 . 1 1 47 47 LYS HD3 H 1 1.843 0.01 . 1 . . . . . . . . . 4891 1 271 . 1 1 47 47 LYS HE2 H 1 2.918 0.01 . 1 . . . . . . . . . 4891 1 272 . 1 1 47 47 LYS HE3 H 1 2.918 0.01 . 1 . . . . . . . . . 4891 1 273 . 1 1 48 48 LYS H H 1 8.285 0.01 . 1 . . . . . . . . . 4891 1 274 . 1 1 48 48 LYS HA H 1 4.462 0.01 . 1 . . . . . . . . . 4891 1 275 . 1 1 48 48 LYS HB2 H 1 2.782 0.01 . 1 . . . . . . . . . 4891 1 276 . 1 1 48 48 LYS HB3 H 1 2.782 0.01 . 1 . . . . . . . . . 4891 1 277 . 1 1 48 48 LYS HG2 H 1 0.698 0.01 . 1 . . . . . . . . . 4891 1 278 . 1 1 48 48 LYS HG3 H 1 0.698 0.01 . 1 . . . . . . . . . 4891 1 279 . 1 1 48 48 LYS HD2 H 1 0.937 0.01 . 2 . . . . . . . . . 4891 1 280 . 1 1 48 48 LYS HD3 H 1 1.008 0.01 . 2 . . . . . . . . . 4891 1 281 . 1 1 49 49 GLY H H 1 8.708 0.01 . 1 . . . . . . . . . 4891 1 282 . 1 1 49 49 GLY HA2 H 1 4.270 0.01 . 1 . . . . . . . . . 4891 1 283 . 1 1 49 49 GLY HA3 H 1 3.739 0.01 . 1 . . . . . . . . . 4891 1 284 . 1 1 50 50 ILE H H 1 7.619 0.01 . 1 . . . . . . . . . 4891 1 285 . 1 1 50 50 ILE HA H 1 4.485 0.01 . 1 . . . . . . . . . 4891 1 286 . 1 1 50 50 ILE HB H 1 1.884 0.01 . 1 . . . . . . . . . 4891 1 287 . 1 1 50 50 ILE HG12 H 1 1.351 0.01 . 1 . . . . . . . . . 4891 1 288 . 1 1 50 50 ILE HG13 H 1 0.974 0.01 . 1 . . . . . . . . . 4891 1 289 . 1 1 50 50 ILE HG21 H 1 0.833 0.01 . 1 . . . . . . . . . 4891 1 290 . 1 1 50 50 ILE HG22 H 1 0.833 0.01 . 1 . . . . . . . . . 4891 1 291 . 1 1 50 50 ILE HG23 H 1 0.833 0.01 . 1 . . . . . . . . . 4891 1 292 . 1 1 50 50 ILE HD11 H 1 0.541 0.01 . 1 . . . . . . . . . 4891 1 293 . 1 1 50 50 ILE HD12 H 1 0.541 0.01 . 1 . . . . . . . . . 4891 1 294 . 1 1 50 50 ILE HD13 H 1 0.541 0.01 . 1 . . . . . . . . . 4891 1 295 . 1 1 51 51 GLY H H 1 8.645 0.01 . 1 . . . . . . . . . 4891 1 296 . 1 1 51 51 GLY HA2 H 1 4.630 0.01 . 1 . . . . . . . . . 4891 1 297 . 1 1 51 51 GLY HA3 H 1 4.630 0.01 . 1 . . . . . . . . . 4891 1 298 . 1 1 52 52 ILE H H 1 8.663 0.01 . 1 . . . . . . . . . 4891 1 299 . 1 1 52 52 ILE HA H 1 5.327 0.01 . 1 . . . . . . . . . 4891 1 300 . 1 1 52 52 ILE HB H 1 1.642 0.01 . 1 . . . . . . . . . 4891 1 301 . 1 1 52 52 ILE HG12 H 1 1.470 0.01 . 2 . . . . . . . . . 4891 1 302 . 1 1 52 52 ILE HG13 H 1 1.200 0.01 . 2 . . . . . . . . . 4891 1 303 . 1 1 52 52 ILE HG21 H 1 0.930 0.01 . 1 . . . . . . . . . 4891 1 304 . 1 1 52 52 ILE HG22 H 1 0.930 0.01 . 1 . . . . . . . . . 4891 1 305 . 1 1 52 52 ILE HG23 H 1 0.930 0.01 . 1 . . . . . . . . . 4891 1 306 . 1 1 52 52 ILE HD11 H 1 0.695 0.01 . 1 . . . . . . . . . 4891 1 307 . 1 1 52 52 ILE HD12 H 1 0.695 0.01 . 1 . . . . . . . . . 4891 1 308 . 1 1 52 52 ILE HD13 H 1 0.695 0.01 . 1 . . . . . . . . . 4891 1 309 . 1 1 53 53 ASN H H 1 8.619 0.01 . 1 . . . . . . . . . 4891 1 310 . 1 1 53 53 ASN HA H 1 5.100 0.01 . 1 . . . . . . . . . 4891 1 311 . 1 1 53 53 ASN HB2 H 1 2.625 0.01 . 1 . . . . . . . . . 4891 1 312 . 1 1 53 53 ASN HB3 H 1 2.742 0.01 . 1 . . . . . . . . . 4891 1 313 . 1 1 54 54 CYS H H 1 9.175 0.01 . 1 . . . . . . . . . 4891 1 314 . 1 1 54 54 CYS HA H 1 5.915 0.01 . 1 . . . . . . . . . 4891 1 315 . 1 1 54 54 CYS HB2 H 1 3.550 0.01 . 1 . . . . . . . . . 4891 1 316 . 1 1 54 54 CYS HB3 H 1 3.159 0.01 . 1 . . . . . . . . . 4891 1 317 . 1 1 55 55 CYS H H 1 9.361 0.01 . 1 . . . . . . . . . 4891 1 318 . 1 1 55 55 CYS HA H 1 5.322 0.01 . 1 . . . . . . . . . 4891 1 319 . 1 1 55 55 CYS HB2 H 1 3.343 0.01 . 1 . . . . . . . . . 4891 1 320 . 1 1 55 55 CYS HB3 H 1 3.677 0.01 . 1 . . . . . . . . . 4891 1 321 . 1 1 56 56 THR H H 1 8.419 0.01 . 1 . . . . . . . . . 4891 1 322 . 1 1 56 56 THR HA H 1 5.120 0.01 . 1 . . . . . . . . . 4891 1 323 . 1 1 56 56 THR HB H 1 4.650 0.01 . 1 . . . . . . . . . 4891 1 324 . 1 1 56 56 THR HG21 H 1 1.205 0.01 . 1 . . . . . . . . . 4891 1 325 . 1 1 56 56 THR HG22 H 1 1.205 0.01 . 1 . . . . . . . . . 4891 1 326 . 1 1 56 56 THR HG23 H 1 1.205 0.01 . 1 . . . . . . . . . 4891 1 327 . 1 1 57 57 THR H H 1 7.462 0.01 . 1 . . . . . . . . . 4891 1 328 . 1 1 57 57 THR HA H 1 4.763 0.01 . 1 . . . . . . . . . 4891 1 329 . 1 1 57 57 THR HB H 1 4.282 0.01 . 1 . . . . . . . . . 4891 1 330 . 1 1 57 57 THR HG21 H 1 1.191 0.01 . 1 . . . . . . . . . 4891 1 331 . 1 1 57 57 THR HG22 H 1 1.191 0.01 . 1 . . . . . . . . . 4891 1 332 . 1 1 57 57 THR HG23 H 1 1.191 0.01 . 1 . . . . . . . . . 4891 1 333 . 1 1 58 58 ASP H H 1 8.172 0.01 . 1 . . . . . . . . . 4891 1 334 . 1 1 58 58 ASP HA H 1 4.694 0.01 . 1 . . . . . . . . . 4891 1 335 . 1 1 58 58 ASP HB2 H 1 2.472 0.01 . 1 . . . . . . . . . 4891 1 336 . 1 1 58 58 ASP HB3 H 1 2.399 0.01 . 1 . . . . . . . . . 4891 1 337 . 1 1 59 59 ARG H H 1 9.399 0.01 . 1 . . . . . . . . . 4891 1 338 . 1 1 59 59 ARG HA H 1 3.192 0.01 . 1 . . . . . . . . . 4891 1 339 . 1 1 59 59 ARG HB2 H 1 1.956 0.01 . 1 . . . . . . . . . 4891 1 340 . 1 1 59 59 ARG HB3 H 1 1.956 0.01 . 1 . . . . . . . . . 4891 1 341 . 1 1 59 59 ARG HG2 H 1 0.596 0.01 . 2 . . . . . . . . . 4891 1 342 . 1 1 59 59 ARG HG3 H 1 1.240 0.01 . 2 . . . . . . . . . 4891 1 343 . 1 1 59 59 ARG HD2 H 1 2.946 0.01 . 2 . . . . . . . . . 4891 1 344 . 1 1 59 59 ARG HD3 H 1 3.160 0.01 . 2 . . . . . . . . . 4891 1 345 . 1 1 59 59 ARG HE H 1 7.269 0.01 . 1 . . . . . . . . . 4891 1 346 . 1 1 60 60 CYS H H 1 7.810 0.01 . 1 . . . . . . . . . 4891 1 347 . 1 1 60 60 CYS HA H 1 4.468 0.01 . 1 . . . . . . . . . 4891 1 348 . 1 1 60 60 CYS HB2 H 1 3.799 0.01 . 1 . . . . . . . . . 4891 1 349 . 1 1 60 60 CYS HB3 H 1 3.368 0.01 . 1 . . . . . . . . . 4891 1 350 . 1 1 61 61 ASN H H 1 9.180 0.01 . 1 . . . . . . . . . 4891 1 351 . 1 1 61 61 ASN HA H 1 4.762 0.01 . 1 . . . . . . . . . 4891 1 352 . 1 1 61 61 ASN HB2 H 1 2.232 0.01 . 1 . . . . . . . . . 4891 1 353 . 1 1 61 61 ASN HB3 H 1 2.728 0.01 . 1 . . . . . . . . . 4891 1 354 . 1 1 61 61 ASN HD21 H 1 8.229 0.01 . 1 . . . . . . . . . 4891 1 355 . 1 1 61 61 ASN HD22 H 1 7.909 0.01 . 1 . . . . . . . . . 4891 1 356 . 1 1 62 62 ASN H H 1 7.545 0.01 . 1 . . . . . . . . . 4891 1 357 . 1 1 62 62 ASN HA H 1 3.988 0.01 . 1 . . . . . . . . . 4891 1 358 . 1 1 62 62 ASN HB2 H 1 2.469 0.01 . 2 . . . . . . . . . 4891 1 359 . 1 1 62 62 ASN HB3 H 1 2.572 0.01 . 2 . . . . . . . . . 4891 1 360 . 1 1 62 62 ASN HD21 H 1 7.350 0.01 . 1 . . . . . . . . . 4891 1 361 . 1 1 62 62 ASN HD22 H 1 6.482 0.01 . 1 . . . . . . . . . 4891 1 stop_ save_