################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25736 _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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/5aay/ebi/nemo.nmr.data.csh' _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 NOESY 1 $sample_1 solution 25736 1 2 TOCSY 1 $sample_1 solution 25736 1 3 DQF-COSY 1 $sample_1 solution 25736 1 4 HSQC 1 $sample_1 solution 25736 1 5 HNCACB 1 $sample_1 solution 25736 1 6 CBCACONH 1 $sample_1 solution 25736 1 7 HNCO 1 $sample_1 solution 25736 1 8 HNCACO 1 $sample_1 solution 25736 1 9 HNHB 1 $sample_1 solution 25736 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 3 $CNS . . 25736 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 2 2 SER H H 1 8.319 0.01 . 1 . 1 . . 2 SER H . 25736 1 2 . 1 1 2 2 SER HA H 1 4.706 0.01 . 1 . 2 . . 2 SER HA . 25736 1 3 . 1 1 2 2 SER HB2 H 1 3.649 0.01 . 2 . 3 . . 2 SER HB2 . 25736 1 4 . 1 1 2 2 SER HB3 H 1 3.790 0.01 . 2 . 4 . . 2 SER HB3 . 25736 1 5 . 1 1 3 3 PRO HA H 1 4.596 0.01 . 1 . 5 . . 3 PRO HA . 25736 1 6 . 1 1 3 3 PRO HB2 H 1 1.804 0.01 . 2 . 7 . . 3 PRO HB2 . 25736 1 7 . 1 1 3 3 PRO HB3 H 1 2.252 0.01 . 2 . 8 . . 3 PRO HB3 . 25736 1 8 . 1 1 3 3 PRO HG2 H 1 1.936 0.01 . 1 . 10 . . 3 PRO HG2 . 25736 1 9 . 1 1 3 3 PRO HG3 H 1 1.936 0.01 . 1 . 11 . . 3 PRO HG3 . 25736 1 10 . 1 1 3 3 PRO HD2 H 1 3.773 0.01 . 2 . 13 . . 3 PRO HD2 . 25736 1 11 . 1 1 3 3 PRO HD3 H 1 3.562 0.01 . 2 . 14 . . 3 PRO HD3 . 25736 1 12 . 1 1 3 3 PRO CB C 13 30.120 0.10 . 1 . 6 . . 3 PRO CB . 25736 1 13 . 1 1 3 3 PRO CG C 13 24.870 0.10 . 1 . 9 . . 3 PRO CG . 25736 1 14 . 1 1 3 3 PRO CD C 13 48.080 0.10 . 1 . 12 . . 3 PRO CD . 25736 1 15 . 1 1 4 4 PRO HA H 1 4.205 0.01 . 1 . 16 . . 4 PRO HA . 25736 1 16 . 1 1 4 4 PRO HB2 H 1 2.046 0.01 . 2 . 19 . . 4 PRO HB2 . 25736 1 17 . 1 1 4 4 PRO HB3 H 1 1.592 0.01 . 2 . 20 . . 4 PRO HB3 . 25736 1 18 . 1 1 4 4 PRO HG2 H 1 1.890 0.01 . 2 . 22 . . 4 PRO HG2 . 25736 1 19 . 1 1 4 4 PRO HG3 H 1 1.857 0.01 . 2 . 23 . . 4 PRO HG3 . 25736 1 20 . 1 1 4 4 PRO HD2 H 1 3.661 0.01 . 2 . 25 . . 4 PRO HD2 . 25736 1 21 . 1 1 4 4 PRO HD3 H 1 3.505 0.01 . 2 . 26 . . 4 PRO HD3 . 25736 1 22 . 1 1 4 4 PRO C C 13 176.430 0.10 . 1 . 17 . . 4 PRO C . 25736 1 23 . 1 1 4 4 PRO CA C 13 62.480 0.10 . 1 . 15 . . 4 PRO CA . 25736 1 24 . 1 1 4 4 PRO CB C 13 31.170 0.10 . 1 . 18 . . 4 PRO CB . 25736 1 25 . 1 1 4 4 PRO CG C 13 24.840 0.10 . 1 . 21 . . 4 PRO CG . 25736 1 26 . 1 1 4 4 PRO CD C 13 47.740 0.10 . 1 . 24 . . 4 PRO CD . 25736 1 27 . 1 1 5 5 ASP H H 1 7.896 0.01 . 1 . 28 . . 5 ASP H . 25736 1 28 . 1 1 5 5 ASP HA H 1 4.221 0.01 . 1 . 30 . . 5 ASP HA . 25736 1 29 . 1 1 5 5 ASP HB2 H 1 2.143 0.01 . 1 . 33 . . 5 ASP HB2 . 25736 1 30 . 1 1 5 5 ASP HB3 H 1 2.143 0.01 . 1 . 34 . . 5 ASP HB3 . 25736 1 31 . 1 1 5 5 ASP C C 13 176.100 0.10 . 1 . 31 . . 5 ASP C . 25736 1 32 . 1 1 5 5 ASP CA C 13 53.410 0.10 . 1 . 29 . . 5 ASP CA . 25736 1 33 . 1 1 5 5 ASP CB C 13 40.730 0.10 . 1 . 32 . . 5 ASP CB . 25736 1 34 . 1 1 5 5 ASP N N 15 119.070 0.10 . 1 . 27 . . 5 ASP N . 25736 1 35 . 1 1 6 6 PHE H H 1 8.290 0.01 . 1 . 36 . . 6 PHE H . 25736 1 36 . 1 1 6 6 PHE HA H 1 4.586 0.01 . 1 . 38 . . 6 PHE HA . 25736 1 37 . 1 1 6 6 PHE HB2 H 1 2.965 0.01 . 1 . 41 . . 6 PHE HB2 . 25736 1 38 . 1 1 6 6 PHE HB3 H 1 3.004 0.01 . 1 . 42 . . 6 PHE HB3 . 25736 1 39 . 1 1 6 6 PHE HD1 H 1 6.970 0.01 . 1 . 43 . . 6 PHE HD1 . 25736 1 40 . 1 1 6 6 PHE HD2 H 1 6.970 0.01 . 1 . 44 . . 6 PHE HD2 . 25736 1 41 . 1 1 6 6 PHE HE1 H 1 7.239 0.01 . 1 . 45 . . 6 PHE HE1 . 25736 1 42 . 1 1 6 6 PHE HE2 H 1 7.239 0.01 . 1 . 46 . . 6 PHE HE2 . 25736 1 43 . 1 1 6 6 PHE C C 13 174.350 0.10 . 1 . 39 . . 6 PHE C . 25736 1 44 . 1 1 6 6 PHE CA C 13 55.420 0.10 . 1 . 37 . . 6 PHE CA . 25736 1 45 . 1 1 6 6 PHE CB C 13 37.480 0.10 . 1 . 40 . . 6 PHE CB . 25736 1 46 . 1 1 6 6 PHE N N 15 119.500 0.10 . 1 . 35 . . 6 PHE N . 25736 1 47 . 1 1 7 7 CYS H H 1 7.921 0.01 . 1 . 48 . . 7 CYS H . 25736 1 48 . 1 1 7 7 CYS HA H 1 5.145 0.01 . 1 . 50 . . 7 CYS HA . 25736 1 49 . 1 1 7 7 CYS HB2 H 1 2.525 0.01 . 2 . 53 . . 7 CYS HB2 . 25736 1 50 . 1 1 7 7 CYS HB3 H 1 2.598 0.01 . 2 . 54 . . 7 CYS HB3 . 25736 1 51 . 1 1 7 7 CYS C C 13 175.230 0.10 . 1 . 51 . . 7 CYS C . 25736 1 52 . 1 1 7 7 CYS CA C 13 56.250 0.10 . 1 . 49 . . 7 CYS CA . 25736 1 53 . 1 1 7 7 CYS CB C 13 28.710 0.10 . 1 . 52 . . 7 CYS CB . 25736 1 54 . 1 1 7 7 CYS N N 15 119.000 0.10 . 1 . 47 . . 7 CYS N . 25736 1 55 . 1 1 8 8 CYS H H 1 9.232 0.01 . 1 . 56 . . 8 CYS H . 25736 1 56 . 1 1 8 8 CYS HA H 1 4.482 0.01 . 1 . 58 . . 8 CYS HA . 25736 1 57 . 1 1 8 8 CYS HB2 H 1 3.263 0.01 . 1 . 61 . . 8 CYS HB2 . 25736 1 58 . 1 1 8 8 CYS HB3 H 1 2.717 0.01 . 1 . 62 . . 8 CYS HB3 . 25736 1 59 . 1 1 8 8 CYS C C 13 176.180 0.10 . 1 . 59 . . 8 CYS C . 25736 1 60 . 1 1 8 8 CYS CA C 13 56.300 0.10 . 1 . 57 . . 8 CYS CA . 25736 1 61 . 1 1 8 8 CYS CB C 13 31.280 0.10 . 1 . 60 . . 8 CYS CB . 25736 1 62 . 1 1 8 8 CYS N N 15 130.600 0.10 . 1 . 55 . . 8 CYS N . 25736 1 63 . 1 1 9 9 PRO HA H 1 4.465 0.01 . 1 . 64 . . 9 PRO HA . 25736 1 64 . 1 1 9 9 PRO HB2 H 1 1.978 0.01 . 2 . 67 . . 9 PRO HB2 . 25736 1 65 . 1 1 9 9 PRO HB3 H 1 2.342 0.01 . 2 . 68 . . 9 PRO HB3 . 25736 1 66 . 1 1 9 9 PRO HG2 H 1 2.033 0.01 . 2 . 70 . . 9 PRO HG2 . 25736 1 67 . 1 1 9 9 PRO HG3 H 1 2.102 0.01 . 2 . 71 . . 9 PRO HG3 . 25736 1 68 . 1 1 9 9 PRO HD2 H 1 4.040 0.01 . 2 . 73 . . 9 PRO HD2 . 25736 1 69 . 1 1 9 9 PRO HD3 H 1 4.191 0.01 . 2 . 74 . . 9 PRO HD3 . 25736 1 70 . 1 1 9 9 PRO C C 13 177.610 0.10 . 1 . 65 . . 9 PRO C . 25736 1 71 . 1 1 9 9 PRO CA C 13 63.580 0.10 . 1 . 63 . . 9 PRO CA . 25736 1 72 . 1 1 9 9 PRO CB C 13 31.750 0.10 . 1 . 66 . . 9 PRO CB . 25736 1 73 . 1 1 9 9 PRO CG C 13 24.610 0.10 . 1 . 69 . . 9 PRO CG . 25736 1 74 . 1 1 9 9 PRO CD C 13 48.730 0.10 . 1 . 72 . . 9 PRO CD . 25736 1 75 . 1 1 10 10 LYS H H 1 9.192 0.01 . 1 . 76 . . 10 LYS H . 25736 1 76 . 1 1 10 10 LYS HA H 1 4.328 0.01 . 1 . 78 . . 10 LYS HA . 25736 1 77 . 1 1 10 10 LYS HB2 H 1 1.859 0.01 . 1 . 81 . . 10 LYS HB2 . 25736 1 78 . 1 1 10 10 LYS HB3 H 1 2.011 0.01 . 1 . 82 . . 10 LYS HB3 . 25736 1 79 . 1 1 10 10 LYS HG2 H 1 1.351 0.01 . 2 . 84 . . 10 LYS HG2 . 25736 1 80 . 1 1 10 10 LYS HG3 H 1 1.284 0.01 . 2 . 85 . . 10 LYS HG3 . 25736 1 81 . 1 1 10 10 LYS HD2 H 1 1.802 0.01 . 2 . 87 . . 10 LYS HD2 . 25736 1 82 . 1 1 10 10 LYS HD3 H 1 1.647 0.01 . 2 . 88 . . 10 LYS HD3 . 25736 1 83 . 1 1 10 10 LYS HE2 H 1 3.028 0.01 . 2 . 90 . . 10 LYS HE2 . 25736 1 84 . 1 1 10 10 LYS HE3 H 1 2.911 0.01 . 2 . 91 . . 10 LYS HE3 . 25736 1 85 . 1 1 10 10 LYS C C 13 177.900 0.10 . 1 . 79 . . 10 LYS C . 25736 1 86 . 1 1 10 10 LYS CA C 13 57.730 0.10 . 1 . 77 . . 10 LYS CA . 25736 1 87 . 1 1 10 10 LYS CB C 13 33.230 0.10 . 1 . 80 . . 10 LYS CB . 25736 1 88 . 1 1 10 10 LYS CG C 13 22.960 0.10 . 1 . 83 . . 10 LYS CG . 25736 1 89 . 1 1 10 10 LYS CD C 13 26.870 0.10 . 1 . 86 . . 10 LYS CD . 25736 1 90 . 1 1 10 10 LYS CE C 13 39.860 0.10 . 1 . 89 . . 10 LYS CE . 25736 1 91 . 1 1 10 10 LYS N N 15 121.430 0.10 . 1 . 75 . . 10 LYS N . 25736 1 92 . 1 1 11 11 CYS H H 1 8.207 0.01 . 1 . 93 . . 11 CYS H . 25736 1 93 . 1 1 11 11 CYS HA H 1 5.002 0.01 . 1 . 95 . . 11 CYS HA . 25736 1 94 . 1 1 11 11 CYS HB2 H 1 3.266 0.01 . 1 . 98 . . 11 CYS HB2 . 25736 1 95 . 1 1 11 11 CYS HB3 H 1 2.363 0.01 . 1 . 99 . . 11 CYS HB3 . 25736 1 96 . 1 1 11 11 CYS C C 13 176.450 0.10 . 1 . 96 . . 11 CYS C . 25736 1 97 . 1 1 11 11 CYS CA C 13 57.940 0.10 . 1 . 94 . . 11 CYS CA . 25736 1 98 . 1 1 11 11 CYS CB C 13 32.070 0.10 . 1 . 97 . . 11 CYS CB . 25736 1 99 . 1 1 11 11 CYS N N 15 117.970 0.10 . 1 . 92 . . 11 CYS N . 25736 1 100 . 1 1 12 12 GLN H H 1 7.967 0.01 . 1 . 101 . . 12 GLN H . 25736 1 101 . 1 1 12 12 GLN HA H 1 4.086 0.01 . 1 . 103 . . 12 GLN HA . 25736 1 102 . 1 1 12 12 GLN HB2 H 1 2.234 0.01 . 2 . 106 . . 12 GLN HB2 . 25736 1 103 . 1 1 12 12 GLN HB3 H 1 2.337 0.01 . 2 . 107 . . 12 GLN HB3 . 25736 1 104 . 1 1 12 12 GLN HG2 H 1 2.205 0.01 . 1 . 109 . . 12 GLN HG2 . 25736 1 105 . 1 1 12 12 GLN HG3 H 1 2.205 0.01 . 1 . 110 . . 12 GLN HG3 . 25736 1 106 . 1 1 12 12 GLN HE21 H 1 6.445 0.01 . 1 . 111 . . 12 GLN HE21 . 25736 1 107 . 1 1 12 12 GLN HE22 H 1 7.280 0.01 . 1 . 112 . . 12 GLN HE22 . 25736 1 108 . 1 1 12 12 GLN C C 13 175.230 0.10 . 1 . 104 . . 12 GLN C . 25736 1 109 . 1 1 12 12 GLN CA C 13 57.940 0.10 . 1 . 102 . . 12 GLN CA . 25736 1 110 . 1 1 12 12 GLN CB C 13 25.310 0.10 . 1 . 105 . . 12 GLN CB . 25736 1 111 . 1 1 12 12 GLN CG C 13 32.040 0.10 . 1 . 108 . . 12 GLN CG . 25736 1 112 . 1 1 12 12 GLN N N 15 116.020 0.10 . 1 . 100 . . 12 GLN N . 25736 1 113 . 1 1 13 13 TYR H H 1 8.762 0.01 . 1 . 114 . . 13 TYR H . 25736 1 114 . 1 1 13 13 TYR HA H 1 4.131 0.01 . 1 . 116 . . 13 TYR HA . 25736 1 115 . 1 1 13 13 TYR HB2 H 1 2.004 0.01 . 1 . 119 . . 13 TYR HB2 . 25736 1 116 . 1 1 13 13 TYR HB3 H 1 2.960 0.01 . 1 . 120 . . 13 TYR HB3 . 25736 1 117 . 1 1 13 13 TYR HD1 H 1 6.331 0.01 . 1 . 121 . . 13 TYR HD1 . 25736 1 118 . 1 1 13 13 TYR HD2 H 1 6.331 0.01 . 1 . 122 . . 13 TYR HD2 . 25736 1 119 . 1 1 13 13 TYR HE1 H 1 6.433 0.01 . 1 . 123 . . 13 TYR HE1 . 25736 1 120 . 1 1 13 13 TYR HE2 H 1 6.433 0.01 . 1 . 124 . . 13 TYR HE2 . 25736 1 121 . 1 1 13 13 TYR C C 13 173.980 0.10 . 1 . 117 . . 13 TYR C . 25736 1 122 . 1 1 13 13 TYR CA C 13 58.800 0.10 . 1 . 115 . . 13 TYR CA . 25736 1 123 . 1 1 13 13 TYR CB C 13 39.330 0.10 . 1 . 118 . . 13 TYR CB . 25736 1 124 . 1 1 13 13 TYR N N 15 124.050 0.10 . 1 . 113 . . 13 TYR N . 25736 1 125 . 1 1 14 14 GLN H H 1 7.662 0.01 . 1 . 126 . . 14 GLN H . 25736 1 126 . 1 1 14 14 GLN HA H 1 4.362 0.01 . 1 . 128 . . 14 GLN HA . 25736 1 127 . 1 1 14 14 GLN HB2 H 1 1.719 0.01 . 2 . 131 . . 14 GLN HB2 . 25736 1 128 . 1 1 14 14 GLN HB3 H 1 1.624 0.01 . 2 . 132 . . 14 GLN HB3 . 25736 1 129 . 1 1 14 14 GLN HG2 H 1 2.084 0.01 . 2 . 134 . . 14 GLN HG2 . 25736 1 130 . 1 1 14 14 GLN HG3 H 1 2.181 0.01 . 2 . 135 . . 14 GLN HG3 . 25736 1 131 . 1 1 14 14 GLN HE21 H 1 6.760 0.01 . 1 . 136 . . 14 GLN HE21 . 25736 1 132 . 1 1 14 14 GLN HE22 H 1 7.552 0.01 . 1 . 137 . . 14 GLN HE22 . 25736 1 133 . 1 1 14 14 GLN C C 13 173.930 0.10 . 1 . 129 . . 14 GLN C . 25736 1 134 . 1 1 14 14 GLN CA C 13 53.240 0.10 . 1 . 127 . . 14 GLN CA . 25736 1 135 . 1 1 14 14 GLN CB C 13 28.450 0.10 . 1 . 130 . . 14 GLN CB . 25736 1 136 . 1 1 14 14 GLN CG C 13 30.960 0.10 . 1 . 133 . . 14 GLN CG . 25736 1 137 . 1 1 14 14 GLN N N 15 127.580 0.10 . 1 . 125 . . 14 GLN N . 25736 1 138 . 1 1 15 15 ALA H H 1 8.260 0.01 . 1 . 139 . . 15 ALA H . 25736 1 139 . 1 1 15 15 ALA HA H 1 4.335 0.01 . 1 . 141 . . 15 ALA HA . 25736 1 140 . 1 1 15 15 ALA HB1 H 1 1.419 0.01 . 1 . 144 . . 15 ALA HB1 . 25736 1 141 . 1 1 15 15 ALA HB2 H 1 1.419 0.01 . 1 . 144 . . 15 ALA HB2 . 25736 1 142 . 1 1 15 15 ALA HB3 H 1 1.419 0.01 . 1 . 144 . . 15 ALA HB3 . 25736 1 143 . 1 1 15 15 ALA C C 13 176.830 0.10 . 1 . 142 . . 15 ALA C . 25736 1 144 . 1 1 15 15 ALA CA C 13 48.400 0.10 . 1 . 140 . . 15 ALA CA . 25736 1 145 . 1 1 15 15 ALA CB C 13 20.220 0.10 . 1 . 143 . . 15 ALA CB . 25736 1 146 . 1 1 15 15 ALA N N 15 127.850 0.10 . 1 . 138 . . 15 ALA N . 25736 1 147 . 1 1 16 16 PRO HA H 1 3.616 0.01 . 1 . 146 . . 16 PRO HA . 25736 1 148 . 1 1 16 16 PRO HB2 H 1 2.230 0.01 . 2 . 149 . . 16 PRO HB2 . 25736 1 149 . 1 1 16 16 PRO HB3 H 1 1.925 0.01 . 2 . 150 . . 16 PRO HB3 . 25736 1 150 . 1 1 16 16 PRO HG2 H 1 2.072 0.01 . 2 . 152 . . 16 PRO HG2 . 25736 1 151 . 1 1 16 16 PRO HG3 H 1 1.961 0.01 . 2 . 153 . . 16 PRO HG3 . 25736 1 152 . 1 1 16 16 PRO HD2 H 1 3.624 0.01 . 2 . 155 . . 16 PRO HD2 . 25736 1 153 . 1 1 16 16 PRO HD3 H 1 3.704 0.01 . 2 . 156 . . 16 PRO HD3 . 25736 1 154 . 1 1 16 16 PRO C C 13 176.270 0.10 . 1 . 147 . . 16 PRO C . 25736 1 155 . 1 1 16 16 PRO CA C 13 62.830 0.10 . 1 . 145 . . 16 PRO CA . 25736 1 156 . 1 1 16 16 PRO CB C 13 31.660 0.10 . 1 . 148 . . 16 PRO CB . 25736 1 157 . 1 1 16 16 PRO CG C 13 24.370 0.10 . 1 . 151 . . 16 PRO CG . 25736 1 158 . 1 1 16 16 PRO CD C 13 47.770 0.10 . 1 . 154 . . 16 PRO CD . 25736 1 159 . 1 1 17 17 ASP H H 1 6.938 0.01 . 1 . 158 . . 17 ASP H . 25736 1 160 . 1 1 17 17 ASP HA H 1 3.669 0.01 . 1 . 160 . . 17 ASP HA . 25736 1 161 . 1 1 17 17 ASP HB2 H 1 2.700 0.01 . 2 . 163 . . 17 ASP HB2 . 25736 1 162 . 1 1 17 17 ASP HB3 H 1 2.735 0.01 . 2 . 164 . . 17 ASP HB3 . 25736 1 163 . 1 1 17 17 ASP C C 13 174.930 0.10 . 1 . 161 . . 17 ASP C . 25736 1 164 . 1 1 17 17 ASP CA C 13 51.530 0.10 . 1 . 159 . . 17 ASP CA . 25736 1 165 . 1 1 17 17 ASP CB C 13 41.100 0.10 . 1 . 162 . . 17 ASP CB . 25736 1 166 . 1 1 17 17 ASP N N 15 111.680 0.10 . 1 . 157 . . 17 ASP N . 25736 1 167 . 1 1 18 18 MET H H 1 8.164 0.01 . 1 . 166 . . 18 MET H . 25736 1 168 . 1 1 18 18 MET HA H 1 3.900 0.01 . 1 . 168 . . 18 MET HA . 25736 1 169 . 1 1 18 18 MET HB2 H 1 1.901 0.01 . 1 . 171 . . 18 MET HB2 . 25736 1 170 . 1 1 18 18 MET HB3 H 1 1.901 0.01 . 1 . 172 . . 18 MET HB3 . 25736 1 171 . 1 1 18 18 MET HG2 H 1 2.519 0.01 . 1 . 174 . . 18 MET HG2 . 25736 1 172 . 1 1 18 18 MET HG3 H 1 2.519 0.01 . 1 . 175 . . 18 MET HG3 . 25736 1 173 . 1 1 18 18 MET HE1 H 1 2.094 0.01 . 1 . 177 . . 18 MET HE1 . 25736 1 174 . 1 1 18 18 MET HE2 H 1 2.094 0.01 . 1 . 177 . . 18 MET HE2 . 25736 1 175 . 1 1 18 18 MET HE3 H 1 2.094 0.01 . 1 . 177 . . 18 MET HE3 . 25736 1 176 . 1 1 18 18 MET C C 13 178.430 0.10 . 1 . 169 . . 18 MET C . 25736 1 177 . 1 1 18 18 MET CA C 13 56.870 0.10 . 1 . 167 . . 18 MET CA . 25736 1 178 . 1 1 18 18 MET CB C 13 31.590 0.10 . 1 . 170 . . 18 MET CB . 25736 1 179 . 1 1 18 18 MET CG C 13 29.760 0.10 . 1 . 173 . . 18 MET CG . 25736 1 180 . 1 1 18 18 MET CE C 13 14.780 0.10 . 1 . 176 . . 18 MET CE . 25736 1 181 . 1 1 18 18 MET N N 15 118.140 0.10 . 1 . 165 . . 18 MET N . 25736 1 182 . 1 1 19 19 ASP H H 1 8.253 0.01 . 1 . 179 . . 19 ASP H . 25736 1 183 . 1 1 19 19 ASP HA H 1 4.261 0.01 . 1 . 181 . . 19 ASP HA . 25736 1 184 . 1 1 19 19 ASP HB2 H 1 2.523 0.01 . 1 . 184 . . 19 ASP HB2 . 25736 1 185 . 1 1 19 19 ASP HB3 H 1 2.523 0.01 . 1 . 185 . . 19 ASP HB3 . 25736 1 186 . 1 1 19 19 ASP C C 13 179.730 0.10 . 1 . 182 . . 19 ASP C . 25736 1 187 . 1 1 19 19 ASP CA C 13 57.070 0.10 . 1 . 180 . . 19 ASP CA . 25736 1 188 . 1 1 19 19 ASP CB C 13 39.690 0.10 . 1 . 183 . . 19 ASP CB . 25736 1 189 . 1 1 19 19 ASP N N 15 120.550 0.10 . 1 . 178 . . 19 ASP N . 25736 1 190 . 1 1 20 20 THR H H 1 8.636 0.01 . 1 . 187 . . 20 THR H . 25736 1 191 . 1 1 20 20 THR HA H 1 3.895 0.01 . 1 . 189 . . 20 THR HA . 25736 1 192 . 1 1 20 20 THR HB H 1 3.940 0.01 . 1 . 192 . . 20 THR HB . 25736 1 193 . 1 1 20 20 THR HG21 H 1 1.391 0.01 . 1 . 194 . . 20 THR HG21 . 25736 1 194 . 1 1 20 20 THR HG22 H 1 1.391 0.01 . 1 . 194 . . 20 THR HG22 . 25736 1 195 . 1 1 20 20 THR HG23 H 1 1.391 0.01 . 1 . 194 . . 20 THR HG23 . 25736 1 196 . 1 1 20 20 THR C C 13 178.170 0.10 . 1 . 190 . . 20 THR C . 25736 1 197 . 1 1 20 20 THR CA C 13 65.980 0.10 . 1 . 188 . . 20 THR CA . 25736 1 198 . 1 1 20 20 THR CB C 13 67.050 0.10 . 1 . 191 . . 20 THR CB . 25736 1 199 . 1 1 20 20 THR CG2 C 13 18.340 0.10 . 1 . 193 . . 20 THR CG2 . 25736 1 200 . 1 1 20 20 THR N N 15 115.780 0.10 . 1 . 186 . . 20 THR N . 25736 1 201 . 1 1 21 21 LEU H H 1 7.786 0.01 . 1 . 196 . . 21 LEU H . 25736 1 202 . 1 1 21 21 LEU HA H 1 4.088 0.01 . 1 . 198 . . 21 LEU HA . 25736 1 203 . 1 1 21 21 LEU HB2 H 1 2.222 0.01 . 1 . 201 . . 21 LEU HB2 . 25736 1 204 . 1 1 21 21 LEU HB3 H 1 1.418 0.01 . 1 . 202 . . 21 LEU HB3 . 25736 1 205 . 1 1 21 21 LEU HG H 1 1.697 0.01 . 1 . 204 . . 21 LEU HG . 25736 1 206 . 1 1 21 21 LEU HD11 H 1 0.858 0.01 . 2 . 206 . . 21 LEU HD11 . 25736 1 207 . 1 1 21 21 LEU HD12 H 1 0.858 0.01 . 2 . 206 . . 21 LEU HD12 . 25736 1 208 . 1 1 21 21 LEU HD13 H 1 0.858 0.01 . 2 . 206 . . 21 LEU HD13 . 25736 1 209 . 1 1 21 21 LEU HD21 H 1 0.953 0.01 . 2 . 208 . . 21 LEU HD21 . 25736 1 210 . 1 1 21 21 LEU HD22 H 1 0.953 0.01 . 2 . 208 . . 21 LEU HD22 . 25736 1 211 . 1 1 21 21 LEU HD23 H 1 0.953 0.01 . 2 . 208 . . 21 LEU HD23 . 25736 1 212 . 1 1 21 21 LEU C C 13 178.130 0.10 . 1 . 199 . . 21 LEU C . 25736 1 213 . 1 1 21 21 LEU CA C 13 58.010 0.10 . 1 . 197 . . 21 LEU CA . 25736 1 214 . 1 1 21 21 LEU CB C 13 39.970 0.10 . 1 . 200 . . 21 LEU CB . 25736 1 215 . 1 1 21 21 LEU CG C 13 24.270 0.10 . 1 . 203 . . 21 LEU CG . 25736 1 216 . 1 1 21 21 LEU CD1 C 13 19.480 0.10 . 1 . 205 . . 21 LEU CD1 . 25736 1 217 . 1 1 21 21 LEU CD2 C 13 23.390 0.10 . 1 . 207 . . 21 LEU CD2 . 25736 1 218 . 1 1 21 21 LEU N N 15 123.640 0.10 . 1 . 195 . . 21 LEU N . 25736 1 219 . 1 1 22 22 GLN H H 1 8.307 0.01 . 1 . 210 . . 22 GLN H . 25736 1 220 . 1 1 22 22 GLN HA H 1 4.001 0.01 . 1 . 212 . . 22 GLN HA . 25736 1 221 . 1 1 22 22 GLN HB2 H 1 2.121 0.01 . 2 . 215 . . 22 GLN HB2 . 25736 1 222 . 1 1 22 22 GLN HB3 H 1 2.197 0.01 . 2 . 216 . . 22 GLN HB3 . 25736 1 223 . 1 1 22 22 GLN HG2 H 1 2.514 0.01 . 2 . 218 . . 22 GLN HG2 . 25736 1 224 . 1 1 22 22 GLN HG3 H 1 2.461 0.01 . 2 . 219 . . 22 GLN HG3 . 25736 1 225 . 1 1 22 22 GLN HE21 H 1 6.887 0.01 . 1 . 220 . . 22 GLN HE21 . 25736 1 226 . 1 1 22 22 GLN HE22 H 1 7.223 0.01 . 1 . 221 . . 22 GLN HE22 . 25736 1 227 . 1 1 22 22 GLN C C 13 179.150 0.10 . 1 . 213 . . 22 GLN C . 25736 1 228 . 1 1 22 22 GLN CA C 13 58.520 0.10 . 1 . 211 . . 22 GLN CA . 25736 1 229 . 1 1 22 22 GLN CB C 13 27.460 0.10 . 1 . 214 . . 22 GLN CB . 25736 1 230 . 1 1 22 22 GLN CG C 13 31.500 0.10 . 1 . 217 . . 22 GLN CG . 25736 1 231 . 1 1 22 22 GLN N N 15 117.010 0.10 . 1 . 209 . . 22 GLN N . 25736 1 232 . 1 1 23 23 ILE H H 1 7.338 0.01 . 1 . 223 . . 23 ILE H . 25736 1 233 . 1 1 23 23 ILE HA H 1 3.732 0.01 . 1 . 225 . . 23 ILE HA . 25736 1 234 . 1 1 23 23 ILE HB H 1 1.867 0.01 . 1 . 228 . . 23 ILE HB . 25736 1 235 . 1 1 23 23 ILE HG12 H 1 1.675 0.01 . 2 . 230 . . 23 ILE HG12 . 25736 1 236 . 1 1 23 23 ILE HG13 H 1 1.168 0.01 . 2 . 231 . . 23 ILE HG13 . 25736 1 237 . 1 1 23 23 ILE HG21 H 1 0.877 0.01 . 1 . 233 . . 23 ILE HG21 . 25736 1 238 . 1 1 23 23 ILE HG22 H 1 0.877 0.01 . 1 . 233 . . 23 ILE HG22 . 25736 1 239 . 1 1 23 23 ILE HG23 H 1 0.877 0.01 . 1 . 233 . . 23 ILE HG23 . 25736 1 240 . 1 1 23 23 ILE HD11 H 1 0.804 0.01 . 1 . 235 . . 23 ILE HD11 . 25736 1 241 . 1 1 23 23 ILE HD12 H 1 0.804 0.01 . 1 . 235 . . 23 ILE HD12 . 25736 1 242 . 1 1 23 23 ILE HD13 H 1 0.804 0.01 . 1 . 235 . . 23 ILE HD13 . 25736 1 243 . 1 1 23 23 ILE C C 13 178.710 0.10 . 1 . 226 . . 23 ILE C . 25736 1 244 . 1 1 23 23 ILE CA C 13 63.930 0.10 . 1 . 224 . . 23 ILE CA . 25736 1 245 . 1 1 23 23 ILE CB C 13 37.720 0.10 . 1 . 227 . . 23 ILE CB . 25736 1 246 . 1 1 23 23 ILE CG1 C 13 26.290 0.10 . 1 . 229 . . 23 ILE CG1 . 25736 1 247 . 1 1 23 23 ILE CG2 C 13 14.730 0.10 . 1 . 232 . . 23 ILE CG2 . 25736 1 248 . 1 1 23 23 ILE CD1 C 13 10.350 0.10 . 1 . 234 . . 23 ILE CD1 . 25736 1 249 . 1 1 23 23 ILE N N 15 118.550 0.10 . 1 . 222 . . 23 ILE N . 25736 1 250 . 1 1 24 24 HIS H H 1 7.872 0.01 . 1 . 237 . . 24 HIS H . 25736 1 251 . 1 1 24 24 HIS HA H 1 4.065 0.01 . 1 . 239 . . 24 HIS HA . 25736 1 252 . 1 1 24 24 HIS HB2 H 1 3.580 0.01 . 1 . 242 . . 24 HIS HB2 . 25736 1 253 . 1 1 24 24 HIS HB3 H 1 3.099 0.01 . 1 . 243 . . 24 HIS HB3 . 25736 1 254 . 1 1 24 24 HIS HD2 H 1 6.935 0.01 . 1 . 244 . . 24 HIS HD2 . 25736 1 255 . 1 1 24 24 HIS HE1 H 1 7.520 0.01 . 1 . 245 . . 24 HIS HE1 . 25736 1 256 . 1 1 24 24 HIS C C 13 178.790 0.10 . 1 . 240 . . 24 HIS C . 25736 1 257 . 1 1 24 24 HIS CA C 13 59.690 0.10 . 1 . 238 . . 24 HIS CA . 25736 1 258 . 1 1 24 24 HIS CB C 13 27.260 0.10 . 1 . 241 . . 24 HIS CB . 25736 1 259 . 1 1 24 24 HIS N N 15 118.600 0.10 . 1 . 236 . . 24 HIS N . 25736 1 260 . 1 1 25 25 VAL H H 1 9.149 0.01 . 1 . 247 . . 25 VAL H . 25736 1 261 . 1 1 25 25 VAL HA H 1 3.613 0.01 . 1 . 249 . . 25 VAL HA . 25736 1 262 . 1 1 25 25 VAL HB H 1 2.230 0.01 . 1 . 252 . . 25 VAL HB . 25736 1 263 . 1 1 25 25 VAL HG11 H 1 1.154 0.01 . 2 . 254 . . 25 VAL HG11 . 25736 1 264 . 1 1 25 25 VAL HG12 H 1 1.154 0.01 . 2 . 254 . . 25 VAL HG12 . 25736 1 265 . 1 1 25 25 VAL HG13 H 1 1.154 0.01 . 2 . 254 . . 25 VAL HG13 . 25736 1 266 . 1 1 25 25 VAL HG21 H 1 1.337 0.01 . 2 . 256 . . 25 VAL HG21 . 25736 1 267 . 1 1 25 25 VAL HG22 H 1 1.337 0.01 . 2 . 256 . . 25 VAL HG22 . 25736 1 268 . 1 1 25 25 VAL HG23 H 1 1.337 0.01 . 2 . 256 . . 25 VAL HG23 . 25736 1 269 . 1 1 25 25 VAL C C 13 178.500 0.10 . 1 . 250 . . 25 VAL C . 25736 1 270 . 1 1 25 25 VAL CA C 13 65.990 0.10 . 1 . 248 . . 25 VAL CA . 25736 1 271 . 1 1 25 25 VAL CB C 13 31.520 0.10 . 1 . 251 . . 25 VAL CB . 25736 1 272 . 1 1 25 25 VAL CG1 C 13 19.020 0.10 . 1 . 253 . . 25 VAL CG1 . 25736 1 273 . 1 1 25 25 VAL CG2 C 13 19.810 0.10 . 1 . 255 . . 25 VAL CG2 . 25736 1 274 . 1 1 25 25 VAL N N 15 117.170 0.10 . 1 . 246 . . 25 VAL N . 25736 1 275 . 1 1 26 26 MET H H 1 7.358 0.01 . 1 . 258 . . 26 MET H . 25736 1 276 . 1 1 26 26 MET HA H 1 4.161 0.01 . 1 . 260 . . 26 MET HA . 25736 1 277 . 1 1 26 26 MET HB2 H 1 2.115 0.01 . 2 . 263 . . 26 MET HB2 . 25736 1 278 . 1 1 26 26 MET HB3 H 1 2.159 0.01 . 2 . 264 . . 26 MET HB3 . 25736 1 279 . 1 1 26 26 MET HG2 H 1 2.739 0.01 . 2 . 266 . . 26 MET HG2 . 25736 1 280 . 1 1 26 26 MET HG3 H 1 2.615 0.01 . 2 . 267 . . 26 MET HG3 . 25736 1 281 . 1 1 26 26 MET HE1 H 1 2.043 0.01 . 1 . 269 . . 26 MET HE1 . 25736 1 282 . 1 1 26 26 MET HE2 H 1 2.043 0.01 . 1 . 269 . . 26 MET HE2 . 25736 1 283 . 1 1 26 26 MET HE3 H 1 2.043 0.01 . 1 . 269 . . 26 MET HE3 . 25736 1 284 . 1 1 26 26 MET C C 13 177.650 0.10 . 1 . 261 . . 26 MET C . 25736 1 285 . 1 1 26 26 MET CA C 13 57.420 0.10 . 1 . 259 . . 26 MET CA . 25736 1 286 . 1 1 26 26 MET CB C 13 32.110 0.10 . 1 . 262 . . 26 MET CB . 25736 1 287 . 1 1 26 26 MET CG C 13 29.460 0.10 . 1 . 265 . . 26 MET CG . 25736 1 288 . 1 1 26 26 MET CE C 13 14.180 0.10 . 1 . 268 . . 26 MET CE . 25736 1 289 . 1 1 26 26 MET N N 15 116.810 0.10 . 1 . 257 . . 26 MET N . 25736 1 290 . 1 1 27 27 GLU H H 1 7.057 0.01 . 1 . 271 . . 27 GLU H . 25736 1 291 . 1 1 27 27 GLU HA H 1 4.303 0.01 . 1 . 273 . . 27 GLU HA . 25736 1 292 . 1 1 27 27 GLU HB2 H 1 1.804 0.01 . 2 . 276 . . 27 GLU HB2 . 25736 1 293 . 1 1 27 27 GLU HB3 H 1 1.950 0.01 . 2 . 277 . . 27 GLU HB3 . 25736 1 294 . 1 1 27 27 GLU HG2 H 1 2.119 0.01 . 2 . 279 . . 27 GLU HG2 . 25736 1 295 . 1 1 27 27 GLU HG3 H 1 2.166 0.01 . 2 . 280 . . 27 GLU HG3 . 25736 1 296 . 1 1 27 27 GLU C C 13 175.880 0.10 . 1 . 274 . . 27 GLU C . 25736 1 297 . 1 1 27 27 GLU CA C 13 55.120 0.10 . 1 . 272 . . 27 GLU CA . 25736 1 298 . 1 1 27 27 GLU CB C 13 30.260 0.10 . 1 . 275 . . 27 GLU CB . 25736 1 299 . 1 1 27 27 GLU CG C 13 33.510 0.10 . 1 . 278 . . 27 GLU CG . 25736 1 300 . 1 1 27 27 GLU N N 15 115.370 0.10 . 1 . 270 . . 27 GLU N . 25736 1 301 . 1 1 28 28 CYS H H 1 7.507 0.01 . 1 . 282 . . 28 CYS H . 25736 1 302 . 1 1 28 28 CYS HA H 1 3.855 0.01 . 1 . 284 . . 28 CYS HA . 25736 1 303 . 1 1 28 28 CYS HB2 H 1 2.543 0.01 . 1 . 287 . . 28 CYS HB2 . 25736 1 304 . 1 1 28 28 CYS HB3 H 1 1.984 0.01 . 1 . 288 . . 28 CYS HB3 . 25736 1 305 . 1 1 28 28 CYS C C 13 176.390 0.10 . 1 . 285 . . 28 CYS C . 25736 1 306 . 1 1 28 28 CYS CA C 13 60.760 0.10 . 1 . 283 . . 28 CYS CA . 25736 1 307 . 1 1 28 28 CYS CB C 13 28.700 0.10 . 1 . 286 . . 28 CYS CB . 25736 1 308 . 1 1 28 28 CYS N N 15 124.470 0.10 . 1 . 281 . . 28 CYS N . 25736 1 309 . 1 1 29 29 ILE H H 1 8.101 0.01 . 1 . 290 . . 29 ILE H . 25736 1 310 . 1 1 29 29 ILE HA H 1 4.234 0.01 . 1 . 292 . . 29 ILE HA . 25736 1 311 . 1 1 29 29 ILE HB H 1 1.973 0.01 . 1 . 295 . . 29 ILE HB . 25736 1 312 . 1 1 29 29 ILE HG12 H 1 1.091 0.01 . 2 . 297 . . 29 ILE HG12 . 25736 1 313 . 1 1 29 29 ILE HG13 H 1 1.364 0.01 . 2 . 298 . . 29 ILE HG13 . 25736 1 314 . 1 1 29 29 ILE HG21 H 1 0.846 0.01 . 1 . 300 . . 29 ILE HG21 . 25736 1 315 . 1 1 29 29 ILE HG22 H 1 0.846 0.01 . 1 . 300 . . 29 ILE HG22 . 25736 1 316 . 1 1 29 29 ILE HG23 H 1 0.846 0.01 . 1 . 300 . . 29 ILE HG23 . 25736 1 317 . 1 1 29 29 ILE HD11 H 1 0.851 0.01 . 1 . 302 . . 29 ILE HD11 . 25736 1 318 . 1 1 29 29 ILE HD12 H 1 0.851 0.01 . 1 . 302 . . 29 ILE HD12 . 25736 1 319 . 1 1 29 29 ILE HD13 H 1 0.851 0.01 . 1 . 302 . . 29 ILE HD13 . 25736 1 320 . 1 1 29 29 ILE C C 13 176.100 0.10 . 1 . 293 . . 29 ILE C . 25736 1 321 . 1 1 29 29 ILE CA C 13 60.710 0.10 . 1 . 291 . . 29 ILE CA . 25736 1 322 . 1 1 29 29 ILE CB C 13 38.450 0.10 . 1 . 294 . . 29 ILE CB . 25736 1 323 . 1 1 29 29 ILE CG1 C 13 24.450 0.10 . 1 . 296 . . 29 ILE CG1 . 25736 1 324 . 1 1 29 29 ILE CG2 C 13 15.280 0.10 . 1 . 299 . . 29 ILE CG2 . 25736 1 325 . 1 1 29 29 ILE CD1 C 13 11.310 0.10 . 1 . 301 . . 29 ILE CD1 . 25736 1 326 . 1 1 29 29 ILE N N 15 122.450 0.10 . 1 . 289 . . 29 ILE N . 25736 1 327 . 1 1 30 30 GLU H H 1 7.842 0.01 . 1 . 304 . . 30 GLU H . 25736 1 328 . 1 1 30 30 GLU HA H 1 3.964 0.01 . 1 . 306 . . 30 GLU HA . 25736 1 329 . 1 1 30 30 GLU HB2 H 1 1.745 0.01 . 2 . 309 . . 30 GLU HB2 . 25736 1 330 . 1 1 30 30 GLU HB3 H 1 1.984 0.01 . 2 . 310 . . 30 GLU HB3 . 25736 1 331 . 1 1 30 30 GLU HG2 H 1 2.178 0.01 . 1 . 312 . . 30 GLU HG2 . 25736 1 332 . 1 1 30 30 GLU HG3 H 1 2.178 0.01 . 1 . 313 . . 30 GLU HG3 . 25736 1 333 . 1 1 30 30 GLU C C 13 181.400 0.10 . 1 . 307 . . 30 GLU C . 25736 1 334 . 1 1 30 30 GLU CA C 13 57.840 0.10 . 1 . 305 . . 30 GLU CA . 25736 1 335 . 1 1 30 30 GLU CB C 13 30.120 0.10 . 1 . 308 . . 30 GLU CB . 25736 1 336 . 1 1 30 30 GLU CG C 13 34.320 0.10 . 1 . 311 . . 30 GLU CG . 25736 1 337 . 1 1 30 30 GLU N N 15 129.230 0.10 . 1 . 303 . . 30 GLU N . 25736 1 stop_ save_