################################### # 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 30141 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 TOCSY' . . . 30141 1 2 '2D 1H-1H NOESY' . . . 30141 1 3 '2D 1H-15N HSQC' . . . 30141 1 4 '2D 1H-13C HSQC' . . . 30141 1 5 '2D 1H-1H NOESY' . . . 30141 1 6 '2D 1H-1H NOESY' . . . 30141 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 THR HA H 1 3.916 0.000 . 1 . . . A 1 THR HA . 30141 1 2 . 1 1 1 1 THR HB H 1 3.936 0.000 . 1 . . . A 1 THR HB . 30141 1 3 . 1 1 1 1 THR HG21 H 1 1.279 0.003 . 1 . . . A 1 THR HG21 . 30141 1 4 . 1 1 1 1 THR HG22 H 1 1.279 0.003 . 1 . . . A 1 THR HG22 . 30141 1 5 . 1 1 1 1 THR HG23 H 1 1.279 0.003 . 1 . . . A 1 THR HG23 . 30141 1 6 . 1 1 1 1 THR CA C 13 61.854 0.000 . 1 . . . A 1 THR CA . 30141 1 7 . 1 1 1 1 THR CB C 13 69.433 0.000 . 1 . . . A 1 THR CB . 30141 1 8 . 1 1 1 1 THR CG2 C 13 21.255 0.000 . 1 . . . A 1 THR CG2 . 30141 1 9 . 1 1 2 2 CYS H H 1 9.070 0.005 . 1 . . . A 2 CYS H . 30141 1 10 . 1 1 2 2 CYS HA H 1 5.661 0.005 . 1 . . . A 2 CYS HA . 30141 1 11 . 1 1 2 2 CYS HB2 H 1 2.547 0.008 . 2 . . . A 2 CYS HB2 . 30141 1 12 . 1 1 2 2 CYS HB3 H 1 3.040 0.011 . 2 . . . A 2 CYS HB3 . 30141 1 13 . 1 1 2 2 CYS CA C 13 55.570 0.000 . 1 . . . A 2 CYS CA . 30141 1 14 . 1 1 2 2 CYS CB C 13 46.545 0.007 . 1 . . . A 2 CYS CB . 30141 1 15 . 1 1 2 2 CYS N N 15 123.132 0.000 . 1 . . . A 2 CYS N . 30141 1 16 . 1 1 3 3 VAL H H 1 9.054 0.007 . 1 . . . A 3 VAL H . 30141 1 17 . 1 1 3 3 VAL HA H 1 4.279 0.005 . 1 . . . A 3 VAL HA . 30141 1 18 . 1 1 3 3 VAL HB H 1 1.829 0.011 . 1 . . . A 3 VAL HB . 30141 1 19 . 1 1 3 3 VAL HG11 H 1 0.868 0.004 . 1 . . . A 3 VAL HG11 . 30141 1 20 . 1 1 3 3 VAL HG12 H 1 0.868 0.004 . 1 . . . A 3 VAL HG12 . 30141 1 21 . 1 1 3 3 VAL HG13 H 1 0.868 0.004 . 1 . . . A 3 VAL HG13 . 30141 1 22 . 1 1 3 3 VAL HG21 H 1 0.796 0.005 . 1 . . . A 3 VAL HG21 . 30141 1 23 . 1 1 3 3 VAL HG22 H 1 0.796 0.005 . 1 . . . A 3 VAL HG22 . 30141 1 24 . 1 1 3 3 VAL HG23 H 1 0.796 0.005 . 1 . . . A 3 VAL HG23 . 30141 1 25 . 1 1 3 3 VAL CA C 13 60.716 0.000 . 1 . . . A 3 VAL CA . 30141 1 26 . 1 1 3 3 VAL CB C 13 34.978 0.000 . 1 . . . A 3 VAL CB . 30141 1 27 . 1 1 3 3 VAL CG1 C 13 21.547 0.000 . 1 . . . A 3 VAL CG1 . 30141 1 28 . 1 1 3 3 VAL CG2 C 13 20.849 0.000 . 1 . . . A 3 VAL CG2 . 30141 1 29 . 1 1 3 3 VAL N N 15 115.981 0.000 . 1 . . . A 3 VAL N . 30141 1 30 . 1 1 4 4 GLU H H 1 8.545 0.006 . 1 . . . A 4 GLU H . 30141 1 31 . 1 1 4 4 GLU HA H 1 5.431 0.001 . 1 . . . A 4 GLU HA . 30141 1 32 . 1 1 4 4 GLU HB2 H 1 1.797 0.002 . 2 . . . A 4 GLU HB2 . 30141 1 33 . 1 1 4 4 GLU HB3 H 1 1.899 0.003 . 2 . . . A 4 GLU HB3 . 30141 1 34 . 1 1 4 4 GLU HG2 H 1 2.209 0.001 . 2 . . . A 4 GLU HG2 . 30141 1 35 . 1 1 4 4 GLU HG3 H 1 2.280 0.003 . 2 . . . A 4 GLU HG3 . 30141 1 36 . 1 1 4 4 GLU CA C 13 54.007 0.000 . 1 . . . A 4 GLU CA . 30141 1 37 . 1 1 4 4 GLU CB C 13 30.752 0.004 . 1 . . . A 4 GLU CB . 30141 1 38 . 1 1 4 4 GLU CG C 13 33.103 0.004 . 1 . . . A 4 GLU CG . 30141 1 39 . 1 1 4 4 GLU N N 15 122.556 0.000 . 1 . . . A 4 GLU N . 30141 1 40 . 1 1 5 5 CYS H H 1 8.986 0.004 . 1 . . . A 5 CYS H . 30141 1 41 . 1 1 5 5 CYS HA H 1 4.760 0.005 . 1 . . . A 5 CYS HA . 30141 1 42 . 1 1 5 5 CYS HB2 H 1 2.837 0.006 . 2 . . . A 5 CYS HB2 . 30141 1 43 . 1 1 5 5 CYS HB3 H 1 3.159 0.003 . 2 . . . A 5 CYS HB3 . 30141 1 44 . 1 1 5 5 CYS CB C 13 41.688 0.003 . 1 . . . A 5 CYS CB . 30141 1 45 . 1 1 5 5 CYS N N 15 121.979 0.000 . 1 . . . A 5 CYS N . 30141 1 46 . 1 1 6 6 DAL H H 1 9.522 0.003 . 1 . . . A 6 DAL H . 30141 1 47 . 1 1 6 6 DAL N N 15 133.617 0.000 . 1 . . . A 6 DAL N . 30141 1 48 . 1 1 6 6 DAL CA C 13 56.563 0.000 . 1 . . . A 6 DAL CA . 30141 1 49 . 1 1 6 6 DAL CB C 13 15.851 0.000 . 1 . . . A 6 DAL CB . 30141 1 50 . 1 1 6 6 DAL HA H 1 4.309 0.001 . 1 . . . A 6 DAL HA . 30141 1 51 . 1 1 6 6 DAL HB1 H 1 1.509 0.001 . 1 . . . A 6 DAL HB1 . 30141 1 52 . 1 1 6 6 DAL HB2 H 1 1.509 0.001 . 1 . . . A 6 DAL HB2 . 30141 1 53 . 1 1 6 6 DAL HB3 H 1 1.509 0.001 . 1 . . . A 6 DAL HB3 . 30141 1 54 . 1 1 7 7 DPR CA C 13 64.393 0.000 . 1 . . . A 7 DPR CA . 30141 1 55 . 1 1 7 7 DPR CB C 13 31.796 0.092 . 1 . . . A 7 DPR CB . 30141 1 56 . 1 1 7 7 DPR CD C 13 51.071 0.004 . 1 . . . A 7 DPR CD . 30141 1 57 . 1 1 7 7 DPR CG C 13 27.545 0.031 . 1 . . . A 7 DPR CG . 30141 1 58 . 1 1 7 7 DPR HA H 1 4.586 0.002 . 1 . . . A 7 DPR HA . 30141 1 59 . 1 1 7 7 DPR HB2 H 1 2.336 0.004 . 2 . . . A 7 DPR HB2 . 30141 1 60 . 1 1 7 7 DPR HB3 H 1 1.742 0.007 . 2 . . . A 7 DPR HB3 . 30141 1 61 . 1 1 7 7 DPR HD2 H 1 3.814 0.002 . 2 . . . A 7 DPR HD2 . 30141 1 62 . 1 1 7 7 DPR HD3 H 1 3.253 0.007 . 2 . . . A 7 DPR HD3 . 30141 1 63 . 1 1 7 7 DPR HG2 H 1 1.915 0.003 . 2 . . . A 7 DPR HG2 . 30141 1 64 . 1 1 7 7 DPR HG3 H 1 1.847 0.004 . 2 . . . A 7 DPR HG3 . 30141 1 65 . 1 1 8 8 VAL H H 1 7.852 0.008 . 1 . . . A 8 VAL H . 30141 1 66 . 1 1 8 8 VAL HA H 1 4.204 0.009 . 1 . . . A 8 VAL HA . 30141 1 67 . 1 1 8 8 VAL HB H 1 2.244 0.005 . 1 . . . A 8 VAL HB . 30141 1 68 . 1 1 8 8 VAL HG11 H 1 0.962 0.001 . 1 . . . A 8 VAL HG11 . 30141 1 69 . 1 1 8 8 VAL HG12 H 1 0.962 0.001 . 1 . . . A 8 VAL HG12 . 30141 1 70 . 1 1 8 8 VAL HG13 H 1 0.962 0.001 . 1 . . . A 8 VAL HG13 . 30141 1 71 . 1 1 8 8 VAL HG21 H 1 0.884 0.004 . 1 . . . A 8 VAL HG21 . 30141 1 72 . 1 1 8 8 VAL HG22 H 1 0.884 0.004 . 1 . . . A 8 VAL HG22 . 30141 1 73 . 1 1 8 8 VAL HG23 H 1 0.884 0.004 . 1 . . . A 8 VAL HG23 . 30141 1 74 . 1 1 8 8 VAL CA C 13 61.520 0.000 . 1 . . . A 8 VAL CA . 30141 1 75 . 1 1 8 8 VAL CB C 13 33.860 0.000 . 1 . . . A 8 VAL CB . 30141 1 76 . 1 1 8 8 VAL CG1 C 13 20.968 0.000 . 1 . . . A 8 VAL CG1 . 30141 1 77 . 1 1 8 8 VAL CG2 C 13 21.018 0.000 . 1 . . . A 8 VAL CG2 . 30141 1 78 . 1 1 8 8 VAL N N 15 119.544 0.000 . 1 . . . A 8 VAL N . 30141 1 79 . 1 1 9 9 LYS H H 1 8.495 0.002 . 1 . . . A 9 LYS H . 30141 1 80 . 1 1 9 9 LYS HA H 1 4.855 0.007 . 1 . . . A 9 LYS HA . 30141 1 81 . 1 1 9 9 LYS HB2 H 1 1.624 0.006 . 2 . . . A 9 LYS HB2 . 30141 1 82 . 1 1 9 9 LYS HB3 H 1 1.768 0.005 . 2 . . . A 9 LYS HB3 . 30141 1 83 . 1 1 9 9 LYS HG2 H 1 1.224 0.009 . 1 . . . A 9 LYS HG2 . 30141 1 84 . 1 1 9 9 LYS HG3 H 1 1.224 0.009 . 1 . . . A 9 LYS HG3 . 30141 1 85 . 1 1 9 9 LYS HD2 H 1 1.629 0.005 . 1 . . . A 9 LYS HD2 . 30141 1 86 . 1 1 9 9 LYS HD3 H 1 1.629 0.005 . 1 . . . A 9 LYS HD3 . 30141 1 87 . 1 1 9 9 LYS HE2 H 1 2.906 0.002 . 1 . . . A 9 LYS HE2 . 30141 1 88 . 1 1 9 9 LYS HE3 H 1 2.906 0.002 . 1 . . . A 9 LYS HE3 . 30141 1 89 . 1 1 9 9 LYS HZ1 H 1 7.552 0.016 . 1 . . . A 9 LYS HZ1 . 30141 1 90 . 1 1 9 9 LYS HZ2 H 1 7.552 0.016 . 1 . . . A 9 LYS HZ2 . 30141 1 91 . 1 1 9 9 LYS HZ3 H 1 7.552 0.016 . 1 . . . A 9 LYS HZ3 . 30141 1 92 . 1 1 9 9 LYS CA C 13 55.322 0.000 . 1 . . . A 9 LYS CA . 30141 1 93 . 1 1 9 9 LYS CB C 13 34.187 0.000 . 1 . . . A 9 LYS CB . 30141 1 94 . 1 1 9 9 LYS CG C 13 25.487 0.000 . 1 . . . A 9 LYS CG . 30141 1 95 . 1 1 9 9 LYS CD C 13 29.387 0.000 . 1 . . . A 9 LYS CD . 30141 1 96 . 1 1 9 9 LYS CE C 13 41.468 0.000 . 1 . . . A 9 LYS CE . 30141 1 97 . 1 1 9 9 LYS N N 15 126.702 0.000 . 1 . . . A 9 LYS N . 30141 1 98 . 1 1 10 10 VAL H H 1 8.981 0.002 . 1 . . . A 10 VAL H . 30141 1 99 . 1 1 10 10 VAL HA H 1 4.236 0.002 . 1 . . . A 10 VAL HA . 30141 1 100 . 1 1 10 10 VAL HB H 1 2.013 0.005 . 1 . . . A 10 VAL HB . 30141 1 101 . 1 1 10 10 VAL HG11 H 1 0.911 0.003 . 1 . . . A 10 VAL HG11 . 30141 1 102 . 1 1 10 10 VAL HG12 H 1 0.911 0.003 . 1 . . . A 10 VAL HG12 . 30141 1 103 . 1 1 10 10 VAL HG13 H 1 0.911 0.003 . 1 . . . A 10 VAL HG13 . 30141 1 104 . 1 1 10 10 VAL HG21 H 1 0.825 0.004 . 1 . . . A 10 VAL HG21 . 30141 1 105 . 1 1 10 10 VAL HG22 H 1 0.825 0.004 . 1 . . . A 10 VAL HG22 . 30141 1 106 . 1 1 10 10 VAL HG23 H 1 0.825 0.004 . 1 . . . A 10 VAL HG23 . 30141 1 107 . 1 1 10 10 VAL CA C 13 61.775 0.000 . 1 . . . A 10 VAL CA . 30141 1 108 . 1 1 10 10 VAL CB C 13 34.234 0.000 . 1 . . . A 10 VAL CB . 30141 1 109 . 1 1 10 10 VAL CG1 C 13 21.641 0.000 . 1 . . . A 10 VAL CG1 . 30141 1 110 . 1 1 10 10 VAL CG2 C 13 20.641 0.000 . 1 . . . A 10 VAL CG2 . 30141 1 111 . 1 1 10 10 VAL N N 15 127.441 0.000 . 1 . . . A 10 VAL N . 30141 1 112 . 1 1 11 11 CYS H H 1 8.868 0.006 . 1 . . . A 11 CYS H . 30141 1 113 . 1 1 11 11 CYS HA H 1 5.673 0.006 . 1 . . . A 11 CYS HA . 30141 1 114 . 1 1 11 11 CYS HB2 H 1 2.899 0.007 . 2 . . . A 11 CYS HB2 . 30141 1 115 . 1 1 11 11 CYS HB3 H 1 3.071 0.002 . 2 . . . A 11 CYS HB3 . 30141 1 116 . 1 1 11 11 CYS CA C 13 54.756 0.000 . 1 . . . A 11 CYS CA . 30141 1 117 . 1 1 11 11 CYS CB C 13 46.430 0.010 . 1 . . . A 11 CYS CB . 30141 1 118 . 1 1 11 11 CYS N N 15 125.801 0.000 . 1 . . . A 11 CYS N . 30141 1 119 . 1 1 12 12 ARG H H 1 8.565 0.003 . 1 . . . A 12 ARG H . 30141 1 120 . 1 1 12 12 ARG HA H 1 4.830 0.009 . 1 . . . A 12 ARG HA . 30141 1 121 . 1 1 12 12 ARG HB2 H 1 1.619 0.002 . 2 . . . A 12 ARG HB2 . 30141 1 122 . 1 1 12 12 ARG HB3 H 1 2.008 0.005 . 2 . . . A 12 ARG HB3 . 30141 1 123 . 1 1 12 12 ARG HG2 H 1 1.416 0.011 . 2 . . . A 12 ARG HG2 . 30141 1 124 . 1 1 12 12 ARG HG3 H 1 1.434 0.012 . 2 . . . A 12 ARG HG3 . 30141 1 125 . 1 1 12 12 ARG HD2 H 1 3.233 0.006 . 2 . . . A 12 ARG HD2 . 30141 1 126 . 1 1 12 12 ARG HD3 H 1 3.494 0.005 . 2 . . . A 12 ARG HD3 . 30141 1 127 . 1 1 12 12 ARG HE H 1 7.444 0.002 . 1 . . . A 12 ARG HE . 30141 1 128 . 1 1 12 12 ARG CA C 13 52.542 0.000 . 1 . . . A 12 ARG CA . 30141 1 129 . 1 1 12 12 ARG CB C 13 32.762 0.008 . 1 . . . A 12 ARG CB . 30141 1 130 . 1 1 12 12 ARG CG C 13 26.801 0.008 . 1 . . . A 12 ARG CG . 30141 1 131 . 1 1 12 12 ARG CD C 13 42.647 0.015 . 1 . . . A 12 ARG CD . 30141 1 132 . 1 1 12 12 ARG N N 15 121.923 0.000 . 1 . . . A 12 ARG N . 30141 1 133 . 1 1 13 13 PRO HA H 1 4.311 0.003 . 1 . . . A 13 PRO HA . 30141 1 134 . 1 1 13 13 PRO HB2 H 1 2.352 0.002 . 1 . . . A 13 PRO HB2 . 30141 1 135 . 1 1 13 13 PRO HB3 H 1 2.352 0.002 . 1 . . . A 13 PRO HB3 . 30141 1 136 . 1 1 13 13 PRO HG2 H 1 1.991 0.007 . 2 . . . A 13 PRO HG2 . 30141 1 137 . 1 1 13 13 PRO HG3 H 1 2.106 0.005 . 2 . . . A 13 PRO HG3 . 30141 1 138 . 1 1 13 13 PRO HD2 H 1 3.747 0.003 . 1 . . . A 13 PRO HD2 . 30141 1 139 . 1 1 13 13 PRO HD3 H 1 3.747 0.003 . 1 . . . A 13 PRO HD3 . 30141 1 140 . 1 1 13 13 PRO CA C 13 64.403 0.000 . 1 . . . A 13 PRO CA . 30141 1 141 . 1 1 13 13 PRO CB C 13 31.761 0.000 . 1 . . . A 13 PRO CB . 30141 1 142 . 1 1 13 13 PRO CG C 13 27.418 0.000 . 1 . . . A 13 PRO CG . 30141 1 143 . 1 1 13 13 PRO CD C 13 50.495 0.000 . 1 . . . A 13 PRO CD . 30141 1 144 . 1 1 14 14 ASP H H 1 7.570 0.002 . 1 . . . A 14 ASP H . 30141 1 145 . 1 1 14 14 ASP HA H 1 5.102 0.004 . 1 . . . A 14 ASP HA . 30141 1 146 . 1 1 14 14 ASP HB2 H 1 2.760 0.004 . 2 . . . A 14 ASP HB2 . 30141 1 147 . 1 1 14 14 ASP HB3 H 1 2.884 0.007 . 2 . . . A 14 ASP HB3 . 30141 1 148 . 1 1 14 14 ASP CA C 13 50.696 0.000 . 1 . . . A 14 ASP CA . 30141 1 149 . 1 1 14 14 ASP CB C 13 40.710 0.002 . 1 . . . A 14 ASP CB . 30141 1 150 . 1 1 14 14 ASP N N 15 119.891 0.000 . 1 . . . A 14 ASP N . 30141 1 151 . 1 1 15 15 PRO HA H 1 4.133 0.017 . 1 . . . A 15 PRO HA . 30141 1 152 . 1 1 15 15 PRO HB2 H 1 2.395 0.004 . 1 . . . A 15 PRO HB2 . 30141 1 153 . 1 1 15 15 PRO HB3 H 1 2.395 0.004 . 1 . . . A 15 PRO HB3 . 30141 1 154 . 1 1 15 15 PRO HG2 H 1 2.023 0.002 . 2 . . . A 15 PRO HG2 . 30141 1 155 . 1 1 15 15 PRO HG3 H 1 2.141 0.003 . 2 . . . A 15 PRO HG3 . 30141 1 156 . 1 1 15 15 PRO HD2 H 1 3.957 0.005 . 2 . . . A 15 PRO HD2 . 30141 1 157 . 1 1 15 15 PRO HD3 H 1 4.111 0.008 . 2 . . . A 15 PRO HD3 . 30141 1 158 . 1 1 15 15 PRO CA C 13 65.161 0.000 . 1 . . . A 15 PRO CA . 30141 1 159 . 1 1 15 15 PRO CB C 13 32.354 0.000 . 1 . . . A 15 PRO CB . 30141 1 160 . 1 1 15 15 PRO CG C 13 27.310 0.000 . 1 . . . A 15 PRO CG . 30141 1 161 . 1 1 15 15 PRO CD C 13 51.259 0.002 . 1 . . . A 15 PRO CD . 30141 1 162 . 1 1 16 16 GLU H H 1 8.170 0.004 . 1 . . . A 16 GLU H . 30141 1 163 . 1 1 16 16 GLU HA H 1 4.167 0.004 . 1 . . . A 16 GLU HA . 30141 1 164 . 1 1 16 16 GLU HB2 H 1 2.132 0.007 . 1 . . . A 16 GLU HB2 . 30141 1 165 . 1 1 16 16 GLU HB3 H 1 2.132 0.007 . 1 . . . A 16 GLU HB3 . 30141 1 166 . 1 1 16 16 GLU HG2 H 1 2.469 0.007 . 1 . . . A 16 GLU HG2 . 30141 1 167 . 1 1 16 16 GLU HG3 H 1 2.469 0.007 . 1 . . . A 16 GLU HG3 . 30141 1 168 . 1 1 16 16 GLU CA C 13 58.301 0.000 . 1 . . . A 16 GLU CA . 30141 1 169 . 1 1 16 16 GLU CG C 13 33.695 0.000 . 1 . . . A 16 GLU CG . 30141 1 170 . 1 1 16 16 GLU N N 15 117.699 0.000 . 1 . . . A 16 GLU N . 30141 1 171 . 1 1 17 17 GLU H H 1 7.780 0.003 . 1 . . . A 17 GLU H . 30141 1 172 . 1 1 17 17 GLU HA H 1 4.092 0.005 . 1 . . . A 17 GLU HA . 30141 1 173 . 1 1 17 17 GLU HB2 H 1 2.092 0.004 . 1 . . . A 17 GLU HB2 . 30141 1 174 . 1 1 17 17 GLU HB3 H 1 2.092 0.004 . 1 . . . A 17 GLU HB3 . 30141 1 175 . 1 1 17 17 GLU HG2 H 1 2.439 0.013 . 1 . . . A 17 GLU HG2 . 30141 1 176 . 1 1 17 17 GLU HG3 H 1 2.439 0.013 . 1 . . . A 17 GLU HG3 . 30141 1 177 . 1 1 17 17 GLU CA C 13 57.922 0.000 . 1 . . . A 17 GLU CA . 30141 1 178 . 1 1 17 17 GLU CB C 13 28.620 0.000 . 1 . . . A 17 GLU CB . 30141 1 179 . 1 1 17 17 GLU CG C 13 33.835 0.000 . 1 . . . A 17 GLU CG . 30141 1 180 . 1 1 17 17 GLU N N 15 120.848 0.000 . 1 . . . A 17 GLU N . 30141 1 181 . 1 1 18 18 ALA H H 1 8.021 0.009 . 1 . . . A 18 ALA H . 30141 1 182 . 1 1 18 18 ALA HA H 1 3.834 0.009 . 1 . . . A 18 ALA HA . 30141 1 183 . 1 1 18 18 ALA HB1 H 1 1.423 0.001 . 1 . . . A 18 ALA HB1 . 30141 1 184 . 1 1 18 18 ALA HB2 H 1 1.423 0.001 . 1 . . . A 18 ALA HB2 . 30141 1 185 . 1 1 18 18 ALA HB3 H 1 1.423 0.001 . 1 . . . A 18 ALA HB3 . 30141 1 186 . 1 1 18 18 ALA CA C 13 55.133 0.000 . 1 . . . A 18 ALA CA . 30141 1 187 . 1 1 18 18 ALA CB C 13 18.073 0.000 . 1 . . . A 18 ALA CB . 30141 1 188 . 1 1 18 18 ALA N N 15 120.899 0.000 . 1 . . . A 18 ALA N . 30141 1 189 . 1 1 19 19 ARG H H 1 7.841 0.001 . 1 . . . A 19 ARG H . 30141 1 190 . 1 1 19 19 ARG HA H 1 3.922 0.006 . 1 . . . A 19 ARG HA . 30141 1 191 . 1 1 19 19 ARG HB2 H 1 1.902 0.002 . 1 . . . A 19 ARG HB2 . 30141 1 192 . 1 1 19 19 ARG HB3 H 1 1.902 0.002 . 1 . . . A 19 ARG HB3 . 30141 1 193 . 1 1 19 19 ARG HG2 H 1 1.590 0.005 . 2 . . . A 19 ARG HG2 . 30141 1 194 . 1 1 19 19 ARG HG3 H 1 1.723 0.009 . 2 . . . A 19 ARG HG3 . 30141 1 195 . 1 1 19 19 ARG HD2 H 1 3.217 0.001 . 1 . . . A 19 ARG HD2 . 30141 1 196 . 1 1 19 19 ARG HD3 H 1 3.217 0.001 . 1 . . . A 19 ARG HD3 . 30141 1 197 . 1 1 19 19 ARG HE H 1 7.314 0.000 . 1 . . . A 19 ARG HE . 30141 1 198 . 1 1 19 19 ARG CA C 13 59.114 0.000 . 1 . . . A 19 ARG CA . 30141 1 199 . 1 1 19 19 ARG CB C 13 30.011 0.000 . 1 . . . A 19 ARG CB . 30141 1 200 . 1 1 19 19 ARG CG C 13 27.416 0.014 . 1 . . . A 19 ARG CG . 30141 1 201 . 1 1 19 19 ARG CD C 13 43.235 0.000 . 1 . . . A 19 ARG CD . 30141 1 202 . 1 1 19 19 ARG N N 15 116.024 0.000 . 1 . . . A 19 ARG N . 30141 1 203 . 1 1 20 20 ARG H H 1 8.085 0.002 . 1 . . . A 20 ARG H . 30141 1 204 . 1 1 20 20 ARG HA H 1 4.049 0.003 . 1 . . . A 20 ARG HA . 30141 1 205 . 1 1 20 20 ARG HB2 H 1 1.871 0.007 . 2 . . . A 20 ARG HB2 . 30141 1 206 . 1 1 20 20 ARG HB3 H 1 1.908 0.005 . 2 . . . A 20 ARG HB3 . 30141 1 207 . 1 1 20 20 ARG HG2 H 1 1.587 0.002 . 2 . . . A 20 ARG HG2 . 30141 1 208 . 1 1 20 20 ARG HG3 H 1 1.738 0.007 . 2 . . . A 20 ARG HG3 . 30141 1 209 . 1 1 20 20 ARG HD2 H 1 3.221 0.002 . 1 . . . A 20 ARG HD2 . 30141 1 210 . 1 1 20 20 ARG HD3 H 1 3.221 0.002 . 1 . . . A 20 ARG HD3 . 30141 1 211 . 1 1 20 20 ARG HE H 1 7.311 0.000 . 1 . . . A 20 ARG HE . 30141 1 212 . 1 1 20 20 ARG CA C 13 58.918 0.000 . 1 . . . A 20 ARG CA . 30141 1 213 . 1 1 20 20 ARG CB C 13 30.158 0.000 . 1 . . . A 20 ARG CB . 30141 1 214 . 1 1 20 20 ARG CG C 13 27.415 0.037 . 1 . . . A 20 ARG CG . 30141 1 215 . 1 1 20 20 ARG CD C 13 43.216 0.000 . 1 . . . A 20 ARG CD . 30141 1 216 . 1 1 20 20 ARG N N 15 119.187 0.000 . 1 . . . A 20 ARG N . 30141 1 217 . 1 1 21 21 GLU H H 1 8.238 0.002 . 1 . . . A 21 GLU H . 30141 1 218 . 1 1 21 21 GLU HA H 1 4.106 0.005 . 1 . . . A 21 GLU HA . 30141 1 219 . 1 1 21 21 GLU HB2 H 1 2.064 0.002 . 1 . . . A 21 GLU HB2 . 30141 1 220 . 1 1 21 21 GLU HB3 H 1 2.064 0.002 . 1 . . . A 21 GLU HB3 . 30141 1 221 . 1 1 21 21 GLU HG2 H 1 2.381 0.002 . 2 . . . A 21 GLU HG2 . 30141 1 222 . 1 1 21 21 GLU HG3 H 1 2.557 0.007 . 2 . . . A 21 GLU HG3 . 30141 1 223 . 1 1 21 21 GLU CA C 13 58.441 0.000 . 1 . . . A 21 GLU CA . 30141 1 224 . 1 1 21 21 GLU CB C 13 28.623 0.000 . 1 . . . A 21 GLU CB . 30141 1 225 . 1 1 21 21 GLU CG C 13 34.322 0.010 . 1 . . . A 21 GLU CG . 30141 1 226 . 1 1 21 21 GLU N N 15 118.088 0.000 . 1 . . . A 21 GLU N . 30141 1 227 . 1 1 22 22 ALA H H 1 8.294 0.005 . 1 . . . A 22 ALA H . 30141 1 228 . 1 1 22 22 ALA HA H 1 3.975 0.007 . 1 . . . A 22 ALA HA . 30141 1 229 . 1 1 22 22 ALA HB1 H 1 1.362 0.004 . 1 . . . A 22 ALA HB1 . 30141 1 230 . 1 1 22 22 ALA HB2 H 1 1.362 0.004 . 1 . . . A 22 ALA HB2 . 30141 1 231 . 1 1 22 22 ALA HB3 H 1 1.362 0.004 . 1 . . . A 22 ALA HB3 . 30141 1 232 . 1 1 22 22 ALA CA C 13 55.089 0.000 . 1 . . . A 22 ALA CA . 30141 1 233 . 1 1 22 22 ALA CB C 13 17.948 0.000 . 1 . . . A 22 ALA CB . 30141 1 234 . 1 1 22 22 ALA N N 15 122.042 0.000 . 1 . . . A 22 ALA N . 30141 1 235 . 1 1 23 23 GLU H H 1 8.065 0.001 . 1 . . . A 23 GLU H . 30141 1 236 . 1 1 23 23 GLU HA H 1 4.195 0.007 . 1 . . . A 23 GLU HA . 30141 1 237 . 1 1 23 23 GLU HB2 H 1 2.168 0.002 . 1 . . . A 23 GLU HB2 . 30141 1 238 . 1 1 23 23 GLU HB3 H 1 2.168 0.002 . 1 . . . A 23 GLU HB3 . 30141 1 239 . 1 1 23 23 GLU HG2 H 1 2.530 0.005 . 2 . . . A 23 GLU HG2 . 30141 1 240 . 1 1 23 23 GLU HG3 H 1 2.603 0.008 . 2 . . . A 23 GLU HG3 . 30141 1 241 . 1 1 23 23 GLU CA C 13 58.054 0.000 . 1 . . . A 23 GLU CA . 30141 1 242 . 1 1 23 23 GLU CB C 13 27.992 0.000 . 1 . . . A 23 GLU CB . 30141 1 243 . 1 1 23 23 GLU CG C 13 33.340 0.001 . 1 . . . A 23 GLU CG . 30141 1 244 . 1 1 23 23 GLU N N 15 115.216 0.000 . 1 . . . A 23 GLU N . 30141 1 245 . 1 1 24 24 GLU H H 1 7.900 0.004 . 1 . . . A 24 GLU H . 30141 1 246 . 1 1 24 24 GLU HA H 1 4.182 0.005 . 1 . . . A 24 GLU HA . 30141 1 247 . 1 1 24 24 GLU HB2 H 1 2.183 0.005 . 1 . . . A 24 GLU HB2 . 30141 1 248 . 1 1 24 24 GLU HB3 H 1 2.183 0.005 . 1 . . . A 24 GLU HB3 . 30141 1 249 . 1 1 24 24 GLU HG2 H 1 2.523 0.001 . 2 . . . A 24 GLU HG2 . 30141 1 250 . 1 1 24 24 GLU HG3 H 1 2.621 0.002 . 2 . . . A 24 GLU HG3 . 30141 1 251 . 1 1 24 24 GLU CA C 13 57.531 0.000 . 1 . . . A 24 GLU CA . 30141 1 252 . 1 1 24 24 GLU CB C 13 28.401 0.000 . 1 . . . A 24 GLU CB . 30141 1 253 . 1 1 24 24 GLU CG C 13 33.375 0.000 . 1 . . . A 24 GLU CG . 30141 1 254 . 1 1 24 24 GLU N N 15 118.398 0.000 . 1 . . . A 24 GLU N . 30141 1 255 . 1 1 25 25 ARG H H 1 7.863 0.003 . 1 . . . A 25 ARG H . 30141 1 256 . 1 1 25 25 ARG HA H 1 4.378 0.002 . 1 . . . A 25 ARG HA . 30141 1 257 . 1 1 25 25 ARG HB2 H 1 1.729 0.003 . 2 . . . A 25 ARG HB2 . 30141 1 258 . 1 1 25 25 ARG HB3 H 1 2.022 0.003 . 2 . . . A 25 ARG HB3 . 30141 1 259 . 1 1 25 25 ARG HG2 H 1 1.673 0.010 . 2 . . . A 25 ARG HG2 . 30141 1 260 . 1 1 25 25 ARG HG3 H 1 1.727 0.001 . 2 . . . A 25 ARG HG3 . 30141 1 261 . 1 1 25 25 ARG HD2 H 1 3.160 0.002 . 1 . . . A 25 ARG HD2 . 30141 1 262 . 1 1 25 25 ARG HD3 H 1 3.160 0.002 . 1 . . . A 25 ARG HD3 . 30141 1 263 . 1 1 25 25 ARG HE H 1 7.309 0.000 . 1 . . . A 25 ARG HE . 30141 1 264 . 1 1 25 25 ARG CA C 13 55.920 0.000 . 1 . . . A 25 ARG CA . 30141 1 265 . 1 1 25 25 ARG CB C 13 30.306 0.021 . 1 . . . A 25 ARG CB . 30141 1 266 . 1 1 25 25 ARG CG C 13 27.175 0.000 . 1 . . . A 25 ARG CG . 30141 1 267 . 1 1 25 25 ARG CD C 13 43.269 0.000 . 1 . . . A 25 ARG CD . 30141 1 268 . 1 1 25 25 ARG N N 15 117.658 0.000 . 1 . . . A 25 ARG N . 30141 1 269 . 1 1 26 26 CYS H H 1 7.732 0.003 . 1 . . . A 26 CYS H . 30141 1 270 . 1 1 26 26 CYS HA H 1 4.309 0.008 . 1 . . . A 26 CYS HA . 30141 1 271 . 1 1 26 26 CYS HB2 H 1 3.343 0.003 . 2 . . . A 26 CYS HB2 . 30141 1 272 . 1 1 26 26 CYS HB3 H 1 3.270 0.002 . 2 . . . A 26 CYS HB3 . 30141 1 273 . 1 1 26 26 CYS CA C 13 57.508 0.000 . 1 . . . A 26 CYS CA . 30141 1 274 . 1 1 26 26 CYS CB C 13 44.412 0.002 . 1 . . . A 26 CYS CB . 30141 1 275 . 1 1 26 26 CYS N N 15 119.115 0.000 . 1 . . . A 26 CYS N . 30141 1 stop_ save_