################################### # 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 25421 _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 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-15N HSQC' . . . 25421 1 2 '2D 1H-13C HSQC' . . . 25421 1 3 '3D HBHA(CO)NH' . . . 25421 1 4 '3D HNCO' . . . 25421 1 5 '3D HNCACB' . . . 25421 1 6 '3D 1H-13C NOESY aliphatic' . . . 25421 1 7 '3D 1H-13C NOESY aromatic' . . . 25421 1 8 '3D 1H-15N NOESY' . . . 25421 1 9 '3D HCCH-TOCSY' . . . 25421 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 $CcpNmr_Analysis . . 25421 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 ALA HA H 1 4.104 0.004 . 1 . . . . A 1 ALA HA . 25421 1 2 . 1 1 1 1 ALA HB1 H 1 1.532 0.002 . 2 . . . . A 1 ALA HB1 . 25421 1 3 . 1 1 1 1 ALA HB2 H 1 1.532 0.002 . 2 . . . . A 1 ALA HB2 . 25421 1 4 . 1 1 1 1 ALA HB3 H 1 1.532 0.002 . 2 . . . . A 1 ALA HB3 . 25421 1 5 . 1 1 1 1 ALA C C 13 173.626 0.300 . 1 . . . . A 1 ALA C . 25421 1 6 . 1 1 1 1 ALA CA C 13 51.841 0.004 . 1 . . . . A 1 ALA CA . 25421 1 7 . 1 1 1 1 ALA CB C 13 19.445 0.300 . 1 . . . . A 1 ALA CB . 25421 1 8 . 1 1 2 2 GLU H H 1 8.716 0.001 . 1 . . . . A 2 GLU H . 25421 1 9 . 1 1 2 2 GLU HA H 1 4.426 0.002 . 1 . . . . A 2 GLU HA . 25421 1 10 . 1 1 2 2 GLU HB2 H 1 1.941 0.004 . 2 . . . . A 2 GLU HB2 . 25421 1 11 . 1 1 2 2 GLU HB3 H 1 2.088 0.004 . 2 . . . . A 2 GLU HB3 . 25421 1 12 . 1 1 2 2 GLU HG2 H 1 2.327 0.001 . 2 . . . . A 2 GLU HG2 . 25421 1 13 . 1 1 2 2 GLU HG3 H 1 2.327 0.001 . 2 . . . . A 2 GLU HG3 . 25421 1 14 . 1 1 2 2 GLU C C 13 175.960 0.300 . 1 . . . . A 2 GLU C . 25421 1 15 . 1 1 2 2 GLU CA C 13 56.073 0.300 . 1 . . . . A 2 GLU CA . 25421 1 16 . 1 1 2 2 GLU CB C 13 30.439 0.300 . 1 . . . . A 2 GLU CB . 25421 1 17 . 1 1 2 2 GLU CG C 13 35.945 0.300 . 1 . . . . A 2 GLU CG . 25421 1 18 . 1 1 2 2 GLU N N 15 120.667 0.009 . 1 . . . . A 2 GLU N . 25421 1 19 . 1 1 3 3 CYS H H 1 8.457 0.010 . 1 . . . . A 3 CYS H . 25421 1 20 . 1 1 3 3 CYS HA H 1 4.822 0.003 . 1 . . . . A 3 CYS HA . 25421 1 21 . 1 1 3 3 CYS HB2 H 1 3.008 0.010 . 2 . . . . A 3 CYS HB2 . 25421 1 22 . 1 1 3 3 CYS HB3 H 1 3.230 0.010 . 2 . . . . A 3 CYS HB3 . 25421 1 23 . 1 1 3 3 CYS C C 13 173.426 0.300 . 1 . . . . A 3 CYS C . 25421 1 24 . 1 1 3 3 CYS CA C 13 54.700 0.300 . 1 . . . . A 3 CYS CA . 25421 1 25 . 1 1 3 3 CYS CB C 13 42.616 0.300 . 1 . . . . A 3 CYS CB . 25421 1 26 . 1 1 3 3 CYS N N 15 119.340 0.025 . 1 . . . . A 3 CYS N . 25421 1 27 . 1 1 4 4 LYS H H 1 8.763 0.001 . 1 . . . . A 4 LYS H . 25421 1 28 . 1 1 4 4 LYS HA H 1 4.326 0.002 . 1 . . . . A 4 LYS HA . 25421 1 29 . 1 1 4 4 LYS HB2 H 1 1.760 0.010 . 2 . . . . A 4 LYS HB2 . 25421 1 30 . 1 1 4 4 LYS HB3 H 1 1.695 0.010 . 2 . . . . A 4 LYS HB3 . 25421 1 31 . 1 1 4 4 LYS HG2 H 1 1.554 0.002 . 2 . . . . A 4 LYS HG2 . 25421 1 32 . 1 1 4 4 LYS HG3 H 1 1.359 0.010 . 2 . . . . A 4 LYS HG3 . 25421 1 33 . 1 1 4 4 LYS HD2 H 1 1.759 0.010 . 2 . . . . A 4 LYS HD2 . 25421 1 34 . 1 1 4 4 LYS HD3 H 1 1.477 0.001 . 2 . . . . A 4 LYS HD3 . 25421 1 35 . 1 1 4 4 LYS HE2 H 1 2.953 0.010 . 2 . . . . A 4 LYS HE2 . 25421 1 36 . 1 1 4 4 LYS HE3 H 1 2.953 0.010 . 2 . . . . A 4 LYS HE3 . 25421 1 37 . 1 1 4 4 LYS C C 13 174.620 0.300 . 1 . . . . A 4 LYS C . 25421 1 38 . 1 1 4 4 LYS CA C 13 55.603 0.300 . 1 . . . . A 4 LYS CA . 25421 1 39 . 1 1 4 4 LYS CB C 13 34.310 0.300 . 1 . . . . A 4 LYS CB . 25421 1 40 . 1 1 4 4 LYS CG C 13 25.003 0.300 . 1 . . . . A 4 LYS CG . 25421 1 41 . 1 1 4 4 LYS CD C 13 28.793 0.300 . 1 . . . . A 4 LYS CD . 25421 1 42 . 1 1 4 4 LYS CE C 13 42.520 0.300 . 1 . . . . A 4 LYS CE . 25421 1 43 . 1 1 4 4 LYS N N 15 121.064 0.003 . 1 . . . . A 4 LYS N . 25421 1 44 . 1 1 5 5 GLY H H 1 7.983 0.010 . 1 . . . . A 5 GLY H . 25421 1 45 . 1 1 5 5 GLY HA2 H 1 3.725 0.004 . 2 . . . . A 5 GLY HA2 . 25421 1 46 . 1 1 5 5 GLY HA3 H 1 3.467 0.003 . 2 . . . . A 5 GLY HA3 . 25421 1 47 . 1 1 5 5 GLY C C 13 171.833 0.300 . 1 . . . . A 5 GLY C . 25421 1 48 . 1 1 5 5 GLY CA C 13 42.642 0.300 . 1 . . . . A 5 GLY CA . 25421 1 49 . 1 1 5 5 GLY N N 15 109.502 0.006 . 1 . . . . A 5 GLY N . 25421 1 50 . 1 1 6 6 PHE H H 1 7.581 0.010 . 1 . . . . A 6 PHE H . 25421 1 51 . 1 1 6 6 PHE HA H 1 3.626 0.010 . 1 . . . . A 6 PHE HA . 25421 1 52 . 1 1 6 6 PHE HB2 H 1 2.729 0.001 . 2 . . . . A 6 PHE HB2 . 25421 1 53 . 1 1 6 6 PHE HB3 H 1 2.868 0.003 . 2 . . . . A 6 PHE HB3 . 25421 1 54 . 1 1 6 6 PHE HD1 H 1 7.134 0.010 . 3 . . . . A 6 PHE HD1 . 25421 1 55 . 1 1 6 6 PHE HD2 H 1 7.134 0.010 . 3 . . . . A 6 PHE HD2 . 25421 1 56 . 1 1 6 6 PHE HE1 H 1 7.281 0.001 . 3 . . . . A 6 PHE HE1 . 25421 1 57 . 1 1 6 6 PHE HE2 H 1 7.281 0.001 . 3 . . . . A 6 PHE HE2 . 25421 1 58 . 1 1 6 6 PHE HZ H 1 7.156 0.010 . 1 . . . . A 6 PHE HZ . 25421 1 59 . 1 1 6 6 PHE C C 13 176.435 0.300 . 1 . . . . A 6 PHE C . 25421 1 60 . 1 1 6 6 PHE CA C 13 57.913 0.300 . 1 . . . . A 6 PHE CA . 25421 1 61 . 1 1 6 6 PHE CB C 13 39.083 0.300 . 1 . . . . A 6 PHE CB . 25421 1 62 . 1 1 6 6 PHE CD1 C 13 131.370 0.300 . 3 . . . . A 6 PHE CD1 . 25421 1 63 . 1 1 6 6 PHE CD2 C 13 131.370 0.001 . 3 . . . . A 6 PHE CD2 . 25421 1 64 . 1 1 6 6 PHE CE1 C 13 131.442 0.007 . 3 . . . . A 6 PHE CE1 . 25421 1 65 . 1 1 6 6 PHE CE2 C 13 131.442 0.300 . 3 . . . . A 6 PHE CE2 . 25421 1 66 . 1 1 6 6 PHE CZ C 13 130.214 0.004 . 1 . . . . A 6 PHE CZ . 25421 1 67 . 1 1 6 6 PHE N N 15 117.331 0.010 . 1 . . . . A 6 PHE N . 25421 1 68 . 1 1 7 7 TRP H H 1 8.997 0.002 . 1 . . . . A 7 TRP H . 25421 1 69 . 1 1 7 7 TRP HA H 1 3.588 0.010 . 1 . . . . A 7 TRP HA . 25421 1 70 . 1 1 7 7 TRP HB2 H 1 2.340 0.003 . 2 . . . . A 7 TRP HB2 . 25421 1 71 . 1 1 7 7 TRP HB3 H 1 3.041 0.002 . 2 . . . . A 7 TRP HB3 . 25421 1 72 . 1 1 7 7 TRP HD1 H 1 5.945 0.010 . 1 . . . . A 7 TRP HD1 . 25421 1 73 . 1 1 7 7 TRP HE1 H 1 8.994 0.002 . 1 . . . . A 7 TRP HE1 . 25421 1 74 . 1 1 7 7 TRP HE3 H 1 6.680 0.010 . 1 . . . . A 7 TRP HE3 . 25421 1 75 . 1 1 7 7 TRP HZ2 H 1 7.264 0.010 . 1 . . . . A 7 TRP HZ2 . 25421 1 76 . 1 1 7 7 TRP HZ3 H 1 6.927 0.001 . 1 . . . . A 7 TRP HZ3 . 25421 1 77 . 1 1 7 7 TRP HH2 H 1 7.150 0.010 . 1 . . . . A 7 TRP HH2 . 25421 1 78 . 1 1 7 7 TRP C C 13 175.204 0.300 . 1 . . . . A 7 TRP C . 25421 1 79 . 1 1 7 7 TRP CA C 13 58.520 0.300 . 1 . . . . A 7 TRP CA . 25421 1 80 . 1 1 7 7 TRP CB C 13 28.287 0.300 . 1 . . . . A 7 TRP CB . 25421 1 81 . 1 1 7 7 TRP CD1 C 13 125.566 0.017 . 1 . . . . A 7 TRP CD1 . 25421 1 82 . 1 1 7 7 TRP CE3 C 13 120.905 0.002 . 1 . . . . A 7 TRP CE3 . 25421 1 83 . 1 1 7 7 TRP CZ2 C 13 114.419 0.019 . 1 . . . . A 7 TRP CZ2 . 25421 1 84 . 1 1 7 7 TRP CZ3 C 13 121.072 0.014 . 1 . . . . A 7 TRP CZ3 . 25421 1 85 . 1 1 7 7 TRP CH2 C 13 123.799 0.011 . 1 . . . . A 7 TRP CH2 . 25421 1 86 . 1 1 7 7 TRP N N 15 123.869 0.009 . 1 . . . . A 7 TRP N . 25421 1 87 . 1 1 7 7 TRP NE1 N 15 127.364 0.003 . 1 . . . . A 7 TRP NE1 . 25421 1 88 . 1 1 8 8 LYS H H 1 7.719 0.010 . 1 . . . . A 8 LYS H . 25421 1 89 . 1 1 8 8 LYS HA H 1 4.510 0.002 . 1 . . . . A 8 LYS HA . 25421 1 90 . 1 1 8 8 LYS HB2 H 1 1.977 0.001 . 2 . . . . A 8 LYS HB2 . 25421 1 91 . 1 1 8 8 LYS HB3 H 1 1.723 0.001 . 2 . . . . A 8 LYS HB3 . 25421 1 92 . 1 1 8 8 LYS HG2 H 1 1.410 0.003 . 2 . . . . A 8 LYS HG2 . 25421 1 93 . 1 1 8 8 LYS HG3 H 1 1.182 0.002 . 2 . . . . A 8 LYS HG3 . 25421 1 94 . 1 1 8 8 LYS HD2 H 1 1.647 0.010 . 2 . . . . A 8 LYS HD2 . 25421 1 95 . 1 1 8 8 LYS HD3 H 1 1.591 0.010 . 2 . . . . A 8 LYS HD3 . 25421 1 96 . 1 1 8 8 LYS HE2 H 1 2.974 0.003 . 2 . . . . A 8 LYS HE2 . 25421 1 97 . 1 1 8 8 LYS HE3 H 1 2.974 0.003 . 2 . . . . A 8 LYS HE3 . 25421 1 98 . 1 1 8 8 LYS C C 13 176.595 0.300 . 1 . . . . A 8 LYS C . 25421 1 99 . 1 1 8 8 LYS CA C 13 53.984 0.300 . 1 . . . . A 8 LYS CA . 25421 1 100 . 1 1 8 8 LYS CB C 13 32.796 0.300 . 1 . . . . A 8 LYS CB . 25421 1 101 . 1 1 8 8 LYS CG C 13 24.297 0.300 . 1 . . . . A 8 LYS CG . 25421 1 102 . 1 1 8 8 LYS CD C 13 27.903 0.300 . 1 . . . . A 8 LYS CD . 25421 1 103 . 1 1 8 8 LYS CE C 13 42.432 0.300 . 1 . . . . A 8 LYS CE . 25421 1 104 . 1 1 8 8 LYS N N 15 118.614 0.004 . 1 . . . . A 8 LYS N . 25421 1 105 . 1 1 9 9 SER H H 1 8.430 0.010 . 1 . . . . A 9 SER H . 25421 1 106 . 1 1 9 9 SER HA H 1 4.808 0.010 . 1 . . . . A 9 SER HA . 25421 1 107 . 1 1 9 9 SER HB2 H 1 3.912 0.002 . 2 . . . . A 9 SER HB2 . 25421 1 108 . 1 1 9 9 SER HB3 H 1 3.912 0.002 . 2 . . . . A 9 SER HB3 . 25421 1 109 . 1 1 9 9 SER C C 13 172.976 0.300 . 1 . . . . A 9 SER C . 25421 1 110 . 1 1 9 9 SER CA C 13 59.175 0.300 . 1 . . . . A 9 SER CA . 25421 1 111 . 1 1 9 9 SER CB C 13 63.827 0.300 . 1 . . . . A 9 SER CB . 25421 1 112 . 1 1 9 9 SER N N 15 116.747 0.002 . 1 . . . . A 9 SER N . 25421 1 113 . 1 1 10 10 CYS H H 1 8.142 0.001 . 1 . . . . A 10 CYS H . 25421 1 114 . 1 1 10 10 CYS HA H 1 4.978 0.002 . 1 . . . . A 10 CYS HA . 25421 1 115 . 1 1 10 10 CYS HB2 H 1 2.995 0.001 . 2 . . . . A 10 CYS HB2 . 25421 1 116 . 1 1 10 10 CYS HB3 H 1 3.156 0.001 . 2 . . . . A 10 CYS HB3 . 25421 1 117 . 1 1 10 10 CYS C C 13 172.556 0.300 . 1 . . . . A 10 CYS C . 25421 1 118 . 1 1 10 10 CYS CA C 13 53.278 0.020 . 1 . . . . A 10 CYS CA . 25421 1 119 . 1 1 10 10 CYS CB C 13 46.760 0.300 . 1 . . . . A 10 CYS CB . 25421 1 120 . 1 1 10 10 CYS N N 15 118.508 0.007 . 1 . . . . A 10 CYS N . 25421 1 121 . 1 1 11 11 VAL H H 1 8.835 0.010 . 1 . . . . A 11 VAL H . 25421 1 122 . 1 1 11 11 VAL HA H 1 4.335 0.002 . 1 . . . . A 11 VAL HA . 25421 1 123 . 1 1 11 11 VAL HB H 1 1.799 0.010 . 1 . . . . A 11 VAL HB . 25421 1 124 . 1 1 11 11 VAL HG11 H 1 0.871 0.001 . 2 . . . . A 11 VAL HG11 . 25421 1 125 . 1 1 11 11 VAL HG12 H 1 0.871 0.001 . 2 . . . . A 11 VAL HG12 . 25421 1 126 . 1 1 11 11 VAL HG13 H 1 0.871 0.001 . 2 . . . . A 11 VAL HG13 . 25421 1 127 . 1 1 11 11 VAL HG21 H 1 0.939 0.002 . 2 . . . . A 11 VAL HG21 . 25421 1 128 . 1 1 11 11 VAL HG22 H 1 0.939 0.002 . 2 . . . . A 11 VAL HG22 . 25421 1 129 . 1 1 11 11 VAL HG23 H 1 0.939 0.002 . 2 . . . . A 11 VAL HG23 . 25421 1 130 . 1 1 11 11 VAL CA C 13 59.324 0.300 . 1 . . . . A 11 VAL CA . 25421 1 131 . 1 1 11 11 VAL CB C 13 32.923 0.300 . 1 . . . . A 11 VAL CB . 25421 1 132 . 1 1 11 11 VAL CG1 C 13 20.805 0.300 . 2 . . . . A 11 VAL CG1 . 25421 1 133 . 1 1 11 11 VAL CG2 C 13 21.345 0.300 . 2 . . . . A 11 VAL CG2 . 25421 1 134 . 1 1 11 11 VAL N N 15 122.963 0.006 . 1 . . . . A 11 VAL N . 25421 1 135 . 1 1 12 12 PRO HA H 1 3.943 0.002 . 1 . . . . A 12 PRO HA . 25421 1 136 . 1 1 12 12 PRO HB2 H 1 1.911 0.010 . 2 . . . . A 12 PRO HB2 . 25421 1 137 . 1 1 12 12 PRO HB3 H 1 2.182 0.001 . 2 . . . . A 12 PRO HB3 . 25421 1 138 . 1 1 12 12 PRO HG2 H 1 1.756 0.001 . 2 . . . . A 12 PRO HG2 . 25421 1 139 . 1 1 12 12 PRO HG3 H 1 2.114 0.001 . 2 . . . . A 12 PRO HG3 . 25421 1 140 . 1 1 12 12 PRO HD2 H 1 4.091 0.001 . 2 . . . . A 12 PRO HD2 . 25421 1 141 . 1 1 12 12 PRO HD3 H 1 3.745 0.001 . 2 . . . . A 12 PRO HD3 . 25421 1 142 . 1 1 12 12 PRO C C 13 176.806 0.300 . 1 . . . . A 12 PRO C . 25421 1 143 . 1 1 12 12 PRO CA C 13 64.329 0.300 . 1 . . . . A 12 PRO CA . 25421 1 144 . 1 1 12 12 PRO CB C 13 31.789 0.300 . 1 . . . . A 12 PRO CB . 25421 1 145 . 1 1 12 12 PRO CG C 13 28.303 0.300 . 1 . . . . A 12 PRO CG . 25421 1 146 . 1 1 12 12 PRO CD C 13 51.341 0.300 . 1 . . . . A 12 PRO CD . 25421 1 147 . 1 1 13 13 GLY H H 1 8.826 0.001 . 1 . . . . A 13 GLY H . 25421 1 148 . 1 1 13 13 GLY HA2 H 1 3.762 0.003 . 2 . . . . A 13 GLY HA2 . 25421 1 149 . 1 1 13 13 GLY HA3 H 1 4.295 0.004 . 2 . . . . A 13 GLY HA3 . 25421 1 150 . 1 1 13 13 GLY C C 13 174.856 0.300 . 1 . . . . A 13 GLY C . 25421 1 151 . 1 1 13 13 GLY CA C 13 45.296 0.300 . 1 . . . . A 13 GLY CA . 25421 1 152 . 1 1 13 13 GLY N N 15 111.847 0.011 . 1 . . . . A 13 GLY N . 25421 1 153 . 1 1 14 14 LYS H H 1 7.590 0.010 . 1 . . . . A 14 LYS H . 25421 1 154 . 1 1 14 14 LYS HA H 1 4.483 0.002 . 1 . . . . A 14 LYS HA . 25421 1 155 . 1 1 14 14 LYS HB2 H 1 1.809 0.010 . 2 . . . . A 14 LYS HB2 . 25421 1 156 . 1 1 14 14 LYS HB3 H 1 1.991 0.001 . 2 . . . . A 14 LYS HB3 . 25421 1 157 . 1 1 14 14 LYS HG2 H 1 1.411 0.010 . 2 . . . . A 14 LYS HG2 . 25421 1 158 . 1 1 14 14 LYS HG3 H 1 1.278 0.002 . 2 . . . . A 14 LYS HG3 . 25421 1 159 . 1 1 14 14 LYS HD2 H 1 1.584 0.001 . 2 . . . . A 14 LYS HD2 . 25421 1 160 . 1 1 14 14 LYS HD3 H 1 1.584 0.001 . 2 . . . . A 14 LYS HD3 . 25421 1 161 . 1 1 14 14 LYS HE2 H 1 2.955 0.001 . 2 . . . . A 14 LYS HE2 . 25421 1 162 . 1 1 14 14 LYS HE3 H 1 2.955 0.001 . 2 . . . . A 14 LYS HE3 . 25421 1 163 . 1 1 14 14 LYS C C 13 175.718 0.300 . 1 . . . . A 14 LYS C . 25421 1 164 . 1 1 14 14 LYS CA C 13 55.413 0.300 . 1 . . . . A 14 LYS CA . 25421 1 165 . 1 1 14 14 LYS CB C 13 32.853 0.300 . 1 . . . . A 14 LYS CB . 25421 1 166 . 1 1 14 14 LYS CG C 13 25.457 0.025 . 1 . . . . A 14 LYS CG . 25421 1 167 . 1 1 14 14 LYS CD C 13 28.564 0.300 . 1 . . . . A 14 LYS CD . 25421 1 168 . 1 1 14 14 LYS CE C 13 42.202 0.300 . 1 . . . . A 14 LYS CE . 25421 1 169 . 1 1 14 14 LYS N N 15 117.957 0.001 . 1 . . . . A 14 LYS N . 25421 1 170 . 1 1 15 15 ASN H H 1 8.473 0.001 . 1 . . . . A 15 ASN H . 25421 1 171 . 1 1 15 15 ASN HA H 1 4.677 0.003 . 1 . . . . A 15 ASN HA . 25421 1 172 . 1 1 15 15 ASN HB2 H 1 2.699 0.001 . 2 . . . . A 15 ASN HB2 . 25421 1 173 . 1 1 15 15 ASN HB3 H 1 3.035 0.003 . 2 . . . . A 15 ASN HB3 . 25421 1 174 . 1 1 15 15 ASN HD21 H 1 7.593 0.010 . 2 . . . . A 15 ASN HD21 . 25421 1 175 . 1 1 15 15 ASN HD22 H 1 6.881 0.010 . 2 . . . . A 15 ASN HD22 . 25421 1 176 . 1 1 15 15 ASN C C 13 175.372 0.300 . 1 . . . . A 15 ASN C . 25421 1 177 . 1 1 15 15 ASN CA C 13 53.622 0.300 . 1 . . . . A 15 ASN CA . 25421 1 178 . 1 1 15 15 ASN CB C 13 37.371 0.300 . 1 . . . . A 15 ASN CB . 25421 1 179 . 1 1 15 15 ASN N N 15 118.663 0.014 . 1 . . . . A 15 ASN N . 25421 1 180 . 1 1 15 15 ASN ND2 N 15 113.141 0.005 . 1 . . . . A 15 ASN ND2 . 25421 1 181 . 1 1 16 16 GLU H H 1 8.848 0.001 . 1 . . . . A 16 GLU H . 25421 1 182 . 1 1 16 16 GLU HA H 1 4.304 0.002 . 1 . . . . A 16 GLU HA . 25421 1 183 . 1 1 16 16 GLU HB2 H 1 2.000 0.010 . 2 . . . . A 16 GLU HB2 . 25421 1 184 . 1 1 16 16 GLU HB3 H 1 2.063 0.001 . 2 . . . . A 16 GLU HB3 . 25421 1 185 . 1 1 16 16 GLU HG2 H 1 2.168 0.001 . 2 . . . . A 16 GLU HG2 . 25421 1 186 . 1 1 16 16 GLU HG3 H 1 2.168 0.001 . 2 . . . . A 16 GLU HG3 . 25421 1 187 . 1 1 16 16 GLU C C 13 178.083 0.300 . 1 . . . . A 16 GLU C . 25421 1 188 . 1 1 16 16 GLU CA C 13 57.422 0.300 . 1 . . . . A 16 GLU CA . 25421 1 189 . 1 1 16 16 GLU CB C 13 32.526 0.300 . 1 . . . . A 16 GLU CB . 25421 1 190 . 1 1 16 16 GLU CG C 13 37.306 0.013 . 1 . . . . A 16 GLU CG . 25421 1 191 . 1 1 16 16 GLU N N 15 115.492 0.005 . 1 . . . . A 16 GLU N . 25421 1 192 . 1 1 17 17 CYS H H 1 8.278 0.001 . 1 . . . . A 17 CYS H . 25421 1 193 . 1 1 17 17 CYS HA H 1 5.176 0.002 . 1 . . . . A 17 CYS HA . 25421 1 194 . 1 1 17 17 CYS HB2 H 1 2.812 0.002 . 2 . . . . A 17 CYS HB2 . 25421 1 195 . 1 1 17 17 CYS HB3 H 1 3.071 0.002 . 2 . . . . A 17 CYS HB3 . 25421 1 196 . 1 1 17 17 CYS C C 13 175.716 0.300 . 1 . . . . A 17 CYS C . 25421 1 197 . 1 1 17 17 CYS CA C 13 55.530 0.300 . 1 . . . . A 17 CYS CA . 25421 1 198 . 1 1 17 17 CYS CB C 13 40.074 0.300 . 1 . . . . A 17 CYS CB . 25421 1 199 . 1 1 17 17 CYS N N 15 117.244 0.018 . 1 . . . . A 17 CYS N . 25421 1 200 . 1 1 18 18 CYS H H 1 9.308 0.001 . 1 . . . . A 18 CYS H . 25421 1 201 . 1 1 18 18 CYS HA H 1 4.566 0.001 . 1 . . . . A 18 CYS HA . 25421 1 202 . 1 1 18 18 CYS HB2 H 1 2.519 0.002 . 2 . . . . A 18 CYS HB2 . 25421 1 203 . 1 1 18 18 CYS HB3 H 1 3.530 0.003 . 2 . . . . A 18 CYS HB3 . 25421 1 204 . 1 1 18 18 CYS C C 13 172.720 0.300 . 1 . . . . A 18 CYS C . 25421 1 205 . 1 1 18 18 CYS CA C 13 54.336 0.300 . 1 . . . . A 18 CYS CA . 25421 1 206 . 1 1 18 18 CYS CB C 13 41.143 0.011 . 1 . . . . A 18 CYS CB . 25421 1 207 . 1 1 18 18 CYS N N 15 121.456 0.001 . 1 . . . . A 18 CYS N . 25421 1 208 . 1 1 19 19 SER H H 1 8.461 0.010 . 1 . . . . A 19 SER H . 25421 1 209 . 1 1 19 19 SER HA H 1 4.273 0.002 . 1 . . . . A 19 SER HA . 25421 1 210 . 1 1 19 19 SER HB2 H 1 3.878 0.010 . 2 . . . . A 19 SER HB2 . 25421 1 211 . 1 1 19 19 SER HB3 H 1 3.835 0.001 . 2 . . . . A 19 SER HB3 . 25421 1 212 . 1 1 19 19 SER C C 13 175.114 0.300 . 1 . . . . A 19 SER C . 25421 1 213 . 1 1 19 19 SER CA C 13 60.335 0.300 . 1 . . . . A 19 SER CA . 25421 1 214 . 1 1 19 19 SER CB C 13 63.047 0.300 . 1 . . . . A 19 SER CB . 25421 1 215 . 1 1 19 19 SER N N 15 114.196 0.008 . 1 . . . . A 19 SER N . 25421 1 216 . 1 1 20 20 GLY H H 1 8.836 0.001 . 1 . . . . A 20 GLY H . 25421 1 217 . 1 1 20 20 GLY HA2 H 1 3.474 0.001 . 2 . . . . A 20 GLY HA2 . 25421 1 218 . 1 1 20 20 GLY HA3 H 1 4.099 0.002 . 2 . . . . A 20 GLY HA3 . 25421 1 219 . 1 1 20 20 GLY C C 13 173.468 0.300 . 1 . . . . A 20 GLY C . 25421 1 220 . 1 1 20 20 GLY CA C 13 44.582 0.300 . 1 . . . . A 20 GLY CA . 25421 1 221 . 1 1 20 20 GLY N N 15 113.736 0.020 . 1 . . . . A 20 GLY N . 25421 1 222 . 1 1 21 21 TYR H H 1 8.276 0.010 . 1 . . . . A 21 TYR H . 25421 1 223 . 1 1 21 21 TYR HA H 1 5.269 0.010 . 1 . . . . A 21 TYR HA . 25421 1 224 . 1 1 21 21 TYR HB2 H 1 2.819 0.002 . 2 . . . . A 21 TYR HB2 . 25421 1 225 . 1 1 21 21 TYR HB3 H 1 3.137 0.001 . 2 . . . . A 21 TYR HB3 . 25421 1 226 . 1 1 21 21 TYR HD1 H 1 6.744 0.010 . 3 . . . . A 21 TYR HD1 . 25421 1 227 . 1 1 21 21 TYR HD2 H 1 6.744 0.010 . 3 . . . . A 21 TYR HD2 . 25421 1 228 . 1 1 21 21 TYR HE1 H 1 6.622 0.010 . 3 . . . . A 21 TYR HE1 . 25421 1 229 . 1 1 21 21 TYR HE2 H 1 6.622 0.010 . 3 . . . . A 21 TYR HE2 . 25421 1 230 . 1 1 21 21 TYR C C 13 174.011 0.300 . 1 . . . . A 21 TYR C . 25421 1 231 . 1 1 21 21 TYR CA C 13 56.055 0.300 . 1 . . . . A 21 TYR CA . 25421 1 232 . 1 1 21 21 TYR CB C 13 41.659 0.300 . 1 . . . . A 21 TYR CB . 25421 1 233 . 1 1 21 21 TYR CD1 C 13 132.516 0.011 . 3 . . . . A 21 TYR CD1 . 25421 1 234 . 1 1 21 21 TYR CD2 C 13 132.516 0.300 . 3 . . . . A 21 TYR CD2 . 25421 1 235 . 1 1 21 21 TYR CE1 C 13 117.922 0.300 . 3 . . . . A 21 TYR CE1 . 25421 1 236 . 1 1 21 21 TYR CE2 C 13 117.922 0.004 . 3 . . . . A 21 TYR CE2 . 25421 1 237 . 1 1 21 21 TYR N N 15 118.820 0.004 . 1 . . . . A 21 TYR N . 25421 1 238 . 1 1 22 22 ALA H H 1 9.357 0.001 . 1 . . . . A 22 ALA H . 25421 1 239 . 1 1 22 22 ALA HA H 1 4.653 0.003 . 1 . . . . A 22 ALA HA . 25421 1 240 . 1 1 22 22 ALA HB1 H 1 1.392 0.002 . 2 . . . . A 22 ALA HB1 . 25421 1 241 . 1 1 22 22 ALA HB2 H 1 1.392 0.002 . 2 . . . . A 22 ALA HB2 . 25421 1 242 . 1 1 22 22 ALA HB3 H 1 1.392 0.002 . 2 . . . . A 22 ALA HB3 . 25421 1 243 . 1 1 22 22 ALA C C 13 176.439 0.300 . 1 . . . . A 22 ALA C . 25421 1 244 . 1 1 22 22 ALA CA C 13 50.971 0.300 . 1 . . . . A 22 ALA CA . 25421 1 245 . 1 1 22 22 ALA CB C 13 23.106 0.300 . 1 . . . . A 22 ALA CB . 25421 1 246 . 1 1 22 22 ALA N N 15 120.868 0.005 . 1 . . . . A 22 ALA N . 25421 1 247 . 1 1 23 23 CYS H H 1 8.917 0.001 . 1 . . . . A 23 CYS H . 25421 1 248 . 1 1 23 23 CYS HA H 1 4.565 0.010 . 1 . . . . A 23 CYS HA . 25421 1 249 . 1 1 23 23 CYS HB2 H 1 2.879 0.001 . 2 . . . . A 23 CYS HB2 . 25421 1 250 . 1 1 23 23 CYS HB3 H 1 3.140 0.003 . 2 . . . . A 23 CYS HB3 . 25421 1 251 . 1 1 23 23 CYS C C 13 174.530 0.300 . 1 . . . . A 23 CYS C . 25421 1 252 . 1 1 23 23 CYS CA C 13 55.704 0.300 . 1 . . . . A 23 CYS CA . 25421 1 253 . 1 1 23 23 CYS CB C 13 41.840 0.300 . 1 . . . . A 23 CYS CB . 25421 1 254 . 1 1 23 23 CYS N N 15 122.679 0.022 . 1 . . . . A 23 CYS N . 25421 1 255 . 1 1 24 24 SER H H 1 8.057 0.010 . 1 . . . . A 24 SER H . 25421 1 256 . 1 1 24 24 SER HA H 1 4.455 0.001 . 1 . . . . A 24 SER HA . 25421 1 257 . 1 1 24 24 SER HB2 H 1 3.769 0.002 . 2 . . . . A 24 SER HB2 . 25421 1 258 . 1 1 24 24 SER HB3 H 1 3.987 0.001 . 2 . . . . A 24 SER HB3 . 25421 1 259 . 1 1 24 24 SER C C 13 175.964 0.300 . 1 . . . . A 24 SER C . 25421 1 260 . 1 1 24 24 SER CA C 13 57.449 0.300 . 1 . . . . A 24 SER CA . 25421 1 261 . 1 1 24 24 SER CB C 13 63.616 0.300 . 1 . . . . A 24 SER CB . 25421 1 262 . 1 1 24 24 SER N N 15 123.845 0.014 . 1 . . . . A 24 SER N . 25421 1 263 . 1 1 25 25 SER H H 1 9.029 0.001 . 1 . . . . A 25 SER H . 25421 1 264 . 1 1 25 25 SER HA H 1 3.977 0.004 . 1 . . . . A 25 SER HA . 25421 1 265 . 1 1 25 25 SER HB2 H 1 3.887 0.001 . 2 . . . . A 25 SER HB2 . 25421 1 266 . 1 1 25 25 SER HB3 H 1 3.887 0.001 . 2 . . . . A 25 SER HB3 . 25421 1 267 . 1 1 25 25 SER C C 13 174.925 0.300 . 1 . . . . A 25 SER C . 25421 1 268 . 1 1 25 25 SER CA C 13 61.411 0.300 . 1 . . . . A 25 SER CA . 25421 1 269 . 1 1 25 25 SER CB C 13 62.650 0.300 . 1 . . . . A 25 SER CB . 25421 1 270 . 1 1 25 25 SER N N 15 124.964 0.015 . 1 . . . . A 25 SER N . 25421 1 271 . 1 1 26 26 ARG H H 1 7.880 0.010 . 1 . . . . A 26 ARG H . 25421 1 272 . 1 1 26 26 ARG HA H 1 4.125 0.003 . 1 . . . . A 26 ARG HA . 25421 1 273 . 1 1 26 26 ARG HB2 H 1 1.537 0.001 . 2 . . . . A 26 ARG HB2 . 25421 1 274 . 1 1 26 26 ARG HB3 H 1 1.686 0.003 . 2 . . . . A 26 ARG HB3 . 25421 1 275 . 1 1 26 26 ARG HG2 H 1 1.579 0.001 . 2 . . . . A 26 ARG HG2 . 25421 1 276 . 1 1 26 26 ARG HG3 H 1 1.435 0.001 . 2 . . . . A 26 ARG HG3 . 25421 1 277 . 1 1 26 26 ARG HD2 H 1 3.147 0.010 . 2 . . . . A 26 ARG HD2 . 25421 1 278 . 1 1 26 26 ARG HD3 H 1 3.096 0.010 . 2 . . . . A 26 ARG HD3 . 25421 1 279 . 1 1 26 26 ARG HE H 1 7.195 0.001 . 1 . . . . A 26 ARG HE . 25421 1 280 . 1 1 26 26 ARG C C 13 177.031 0.300 . 1 . . . . A 26 ARG C . 25421 1 281 . 1 1 26 26 ARG CA C 13 57.935 0.300 . 1 . . . . A 26 ARG CA . 25421 1 282 . 1 1 26 26 ARG CB C 13 31.120 0.300 . 1 . . . . A 26 ARG CB . 25421 1 283 . 1 1 26 26 ARG CG C 13 26.984 0.300 . 1 . . . . A 26 ARG CG . 25421 1 284 . 1 1 26 26 ARG CD C 13 43.132 0.300 . 1 . . . . A 26 ARG CD . 25421 1 285 . 1 1 26 26 ARG N N 15 119.221 0.007 . 1 . . . . A 26 ARG N . 25421 1 286 . 1 1 26 26 ARG NE N 15 84.663 0.004 . 1 . . . . A 26 ARG NE . 25421 1 287 . 1 1 27 27 ASP H H 1 7.396 0.010 . 1 . . . . A 27 ASP H . 25421 1 288 . 1 1 27 27 ASP HA H 1 4.273 0.002 . 1 . . . . A 27 ASP HA . 25421 1 289 . 1 1 27 27 ASP HB2 H 1 1.191 0.004 . 2 . . . . A 27 ASP HB2 . 25421 1 290 . 1 1 27 27 ASP HB3 H 1 1.406 0.004 . 2 . . . . A 27 ASP HB3 . 25421 1 291 . 1 1 27 27 ASP CA C 13 54.557 0.300 . 1 . . . . A 27 ASP CA . 25421 1 292 . 1 1 27 27 ASP CB C 13 40.955 0.300 . 1 . . . . A 27 ASP CB . 25421 1 293 . 1 1 27 27 ASP N N 15 115.090 0.004 . 1 . . . . A 27 ASP N . 25421 1 294 . 1 1 28 28 LYS H H 1 8.096 0.001 . 1 . . . . A 28 LYS H . 25421 1 295 . 1 1 28 28 LYS HA H 1 3.842 0.001 . 1 . . . . A 28 LYS HA . 25421 1 296 . 1 1 28 28 LYS HB2 H 1 2.252 0.002 . 2 . . . . A 28 LYS HB2 . 25421 1 297 . 1 1 28 28 LYS HB3 H 1 1.972 0.001 . 2 . . . . A 28 LYS HB3 . 25421 1 298 . 1 1 28 28 LYS HG2 H 1 1.168 0.001 . 2 . . . . A 28 LYS HG2 . 25421 1 299 . 1 1 28 28 LYS HG3 H 1 1.168 0.001 . 2 . . . . A 28 LYS HG3 . 25421 1 300 . 1 1 28 28 LYS HD2 H 1 1.585 0.010 . 2 . . . . A 28 LYS HD2 . 25421 1 301 . 1 1 28 28 LYS HD3 H 1 1.680 0.002 . 2 . . . . A 28 LYS HD3 . 25421 1 302 . 1 1 28 28 LYS HE2 H 1 2.945 0.001 . 2 . . . . A 28 LYS HE2 . 25421 1 303 . 1 1 28 28 LYS HE3 H 1 2.945 0.001 . 2 . . . . A 28 LYS HE3 . 25421 1 304 . 1 1 28 28 LYS CA C 13 57.486 0.004 . 1 . . . . A 28 LYS CA . 25421 1 305 . 1 1 28 28 LYS CB C 13 28.066 0.300 . 1 . . . . A 28 LYS CB . 25421 1 306 . 1 1 28 28 LYS CG C 13 25.455 0.300 . 1 . . . . A 28 LYS CG . 25421 1 307 . 1 1 28 28 LYS CD C 13 29.577 0.300 . 1 . . . . A 28 LYS CD . 25421 1 308 . 1 1 28 28 LYS CE C 13 42.739 0.300 . 1 . . . . A 28 LYS CE . 25421 1 309 . 1 1 28 28 LYS N N 15 114.145 0.007 . 1 . . . . A 28 LYS N . 25421 1 310 . 1 1 29 29 TRP HA H 1 5.397 0.003 . 1 . . . . A 29 TRP HA . 25421 1 311 . 1 1 29 29 TRP HB2 H 1 2.447 0.002 . 2 . . . . A 29 TRP HB2 . 25421 1 312 . 1 1 29 29 TRP HB3 H 1 2.904 0.001 . 2 . . . . A 29 TRP HB3 . 25421 1 313 . 1 1 29 29 TRP HD1 H 1 6.625 0.010 . 1 . . . . A 29 TRP HD1 . 25421 1 314 . 1 1 29 29 TRP HE1 H 1 9.166 0.001 . 1 . . . . A 29 TRP HE1 . 25421 1 315 . 1 1 29 29 TRP HE3 H 1 7.255 0.001 . 1 . . . . A 29 TRP HE3 . 25421 1 316 . 1 1 29 29 TRP HZ2 H 1 7.242 0.010 . 1 . . . . A 29 TRP HZ2 . 25421 1 317 . 1 1 29 29 TRP HZ3 H 1 6.997 0.010 . 1 . . . . A 29 TRP HZ3 . 25421 1 318 . 1 1 29 29 TRP HH2 H 1 7.067 0.001 . 1 . . . . A 29 TRP HH2 . 25421 1 319 . 1 1 29 29 TRP C C 13 177.187 0.300 . 1 . . . . A 29 TRP C . 25421 1 320 . 1 1 29 29 TRP CA C 13 55.704 0.300 . 1 . . . . A 29 TRP CA . 25421 1 321 . 1 1 29 29 TRP CB C 13 31.279 0.300 . 1 . . . . A 29 TRP CB . 25421 1 322 . 1 1 29 29 TRP CD1 C 13 126.279 0.001 . 1 . . . . A 29 TRP CD1 . 25421 1 323 . 1 1 29 29 TRP CE3 C 13 121.210 0.014 . 1 . . . . A 29 TRP CE3 . 25421 1 324 . 1 1 29 29 TRP CZ2 C 13 114.004 0.013 . 1 . . . . A 29 TRP CZ2 . 25421 1 325 . 1 1 29 29 TRP CZ3 C 13 121.629 0.002 . 1 . . . . A 29 TRP CZ3 . 25421 1 326 . 1 1 29 29 TRP CH2 C 13 124.176 0.021 . 1 . . . . A 29 TRP CH2 . 25421 1 327 . 1 1 29 29 TRP NE1 N 15 127.659 0.001 . 1 . . . . A 29 TRP NE1 . 25421 1 328 . 1 1 30 30 CYS H H 1 8.447 0.001 . 1 . . . . A 30 CYS H . 25421 1 329 . 1 1 30 30 CYS HA H 1 4.896 0.002 . 1 . . . . A 30 CYS HA . 25421 1 330 . 1 1 30 30 CYS HB2 H 1 3.307 0.010 . 2 . . . . A 30 CYS HB2 . 25421 1 331 . 1 1 30 30 CYS HB3 H 1 2.557 0.010 . 2 . . . . A 30 CYS HB3 . 25421 1 332 . 1 1 30 30 CYS C C 13 174.364 0.300 . 1 . . . . A 30 CYS C . 25421 1 333 . 1 1 30 30 CYS CA C 13 55.586 0.300 . 1 . . . . A 30 CYS CA . 25421 1 334 . 1 1 30 30 CYS CB C 13 40.206 0.300 . 1 . . . . A 30 CYS CB . 25421 1 335 . 1 1 30 30 CYS N N 15 119.238 0.004 . 1 . . . . A 30 CYS N . 25421 1 336 . 1 1 31 31 LYS H H 1 9.191 0.010 . 1 . . . . A 31 LYS H . 25421 1 337 . 1 1 31 31 LYS HA H 1 5.041 0.002 . 1 . . . . A 31 LYS HA . 25421 1 338 . 1 1 31 31 LYS HB2 H 1 1.896 0.002 . 2 . . . . A 31 LYS HB2 . 25421 1 339 . 1 1 31 31 LYS HB3 H 1 2.077 0.010 . 2 . . . . A 31 LYS HB3 . 25421 1 340 . 1 1 31 31 LYS HG2 H 1 1.443 0.001 . 2 . . . . A 31 LYS HG2 . 25421 1 341 . 1 1 31 31 LYS HG3 H 1 1.410 0.001 . 2 . . . . A 31 LYS HG3 . 25421 1 342 . 1 1 31 31 LYS HD2 H 1 1.753 0.010 . 2 . . . . A 31 LYS HD2 . 25421 1 343 . 1 1 31 31 LYS HD3 H 1 1.675 0.010 . 2 . . . . A 31 LYS HD3 . 25421 1 344 . 1 1 31 31 LYS HE2 H 1 2.819 0.001 . 2 . . . . A 31 LYS HE2 . 25421 1 345 . 1 1 31 31 LYS HE3 H 1 2.742 0.010 . 2 . . . . A 31 LYS HE3 . 25421 1 346 . 1 1 31 31 LYS C C 13 175.662 0.300 . 1 . . . . A 31 LYS C . 25421 1 347 . 1 1 31 31 LYS CA C 13 55.176 0.300 . 1 . . . . A 31 LYS CA . 25421 1 348 . 1 1 31 31 LYS CB C 13 35.875 0.300 . 1 . . . . A 31 LYS CB . 25421 1 349 . 1 1 31 31 LYS CG C 13 25.034 0.300 . 1 . . . . A 31 LYS CG . 25421 1 350 . 1 1 31 31 LYS CD C 13 29.822 0.300 . 1 . . . . A 31 LYS CD . 25421 1 351 . 1 1 31 31 LYS CE C 13 41.952 0.005 . 1 . . . . A 31 LYS CE . 25421 1 352 . 1 1 31 31 LYS N N 15 124.793 0.012 . 1 . . . . A 31 LYS N . 25421 1 353 . 1 1 32 32 VAL H H 1 8.424 0.010 . 1 . . . . A 32 VAL H . 25421 1 354 . 1 1 32 32 VAL HA H 1 3.821 0.001 . 1 . . . . A 32 VAL HA . 25421 1 355 . 1 1 32 32 VAL HB H 1 1.962 0.001 . 1 . . . . A 32 VAL HB . 25421 1 356 . 1 1 32 32 VAL HG11 H 1 0.931 0.002 . 2 . . . . A 32 VAL HG11 . 25421 1 357 . 1 1 32 32 VAL HG12 H 1 0.931 0.002 . 2 . . . . A 32 VAL HG12 . 25421 1 358 . 1 1 32 32 VAL HG13 H 1 0.931 0.002 . 2 . . . . A 32 VAL HG13 . 25421 1 359 . 1 1 32 32 VAL HG21 H 1 0.869 0.001 . 2 . . . . A 32 VAL HG21 . 25421 1 360 . 1 1 32 32 VAL HG22 H 1 0.869 0.001 . 2 . . . . A 32 VAL HG22 . 25421 1 361 . 1 1 32 32 VAL HG23 H 1 0.869 0.001 . 2 . . . . A 32 VAL HG23 . 25421 1 362 . 1 1 32 32 VAL C C 13 175.973 0.300 . 1 . . . . A 32 VAL C . 25421 1 363 . 1 1 32 32 VAL CA C 13 64.073 0.300 . 1 . . . . A 32 VAL CA . 25421 1 364 . 1 1 32 32 VAL CB C 13 32.368 0.300 . 1 . . . . A 32 VAL CB . 25421 1 365 . 1 1 32 32 VAL CG1 C 13 22.214 0.300 . 2 . . . . A 32 VAL CG1 . 25421 1 366 . 1 1 32 32 VAL CG2 C 13 20.986 0.300 . 2 . . . . A 32 VAL CG2 . 25421 1 367 . 1 1 32 32 VAL N N 15 121.483 0.008 . 1 . . . . A 32 VAL N . 25421 1 368 . 1 1 33 33 LEU H H 1 8.045 0.010 . 1 . . . . A 33 LEU H . 25421 1 369 . 1 1 33 33 LEU HA H 1 4.307 0.002 . 1 . . . . A 33 LEU HA . 25421 1 370 . 1 1 33 33 LEU HB2 H 1 1.299 0.002 . 2 . . . . A 33 LEU HB2 . 25421 1 371 . 1 1 33 33 LEU HB3 H 1 1.491 0.010 . 2 . . . . A 33 LEU HB3 . 25421 1 372 . 1 1 33 33 LEU HG H 1 1.435 0.001 . 1 . . . . A 33 LEU HG . 25421 1 373 . 1 1 33 33 LEU HD11 H 1 0.831 0.001 . 2 . . . . A 33 LEU HD11 . 25421 1 374 . 1 1 33 33 LEU HD12 H 1 0.831 0.001 . 2 . . . . A 33 LEU HD12 . 25421 1 375 . 1 1 33 33 LEU HD13 H 1 0.831 0.001 . 2 . . . . A 33 LEU HD13 . 25421 1 376 . 1 1 33 33 LEU HD21 H 1 0.832 0.010 . 2 . . . . A 33 LEU HD21 . 25421 1 377 . 1 1 33 33 LEU HD22 H 1 0.832 0.010 . 2 . . . . A 33 LEU HD22 . 25421 1 378 . 1 1 33 33 LEU HD23 H 1 0.832 0.010 . 2 . . . . A 33 LEU HD23 . 25421 1 379 . 1 1 33 33 LEU C C 13 175.217 0.300 . 1 . . . . A 33 LEU C . 25421 1 380 . 1 1 33 33 LEU CA C 13 55.315 0.300 . 1 . . . . A 33 LEU CA . 25421 1 381 . 1 1 33 33 LEU CB C 13 42.589 0.300 . 1 . . . . A 33 LEU CB . 25421 1 382 . 1 1 33 33 LEU CG C 13 26.984 0.300 . 1 . . . . A 33 LEU CG . 25421 1 383 . 1 1 33 33 LEU CD1 C 13 24.494 0.300 . 2 . . . . A 33 LEU CD1 . 25421 1 384 . 1 1 33 33 LEU CD2 C 13 24.717 0.300 . 2 . . . . A 33 LEU CD2 . 25421 1 385 . 1 1 33 33 LEU N N 15 128.865 0.023 . 1 . . . . A 33 LEU N . 25421 1 386 . 1 1 34 34 LEU H H 1 7.793 0.010 . 1 . . . . A 34 LEU H . 25421 1 387 . 1 1 34 34 LEU HA H 1 4.178 0.001 . 1 . . . . A 34 LEU HA . 25421 1 388 . 1 1 34 34 LEU HB2 H 1 1.546 0.010 . 2 . . . . A 34 LEU HB2 . 25421 1 389 . 1 1 34 34 LEU HB3 H 1 1.546 0.010 . 2 . . . . A 34 LEU HB3 . 25421 1 390 . 1 1 34 34 LEU HG H 1 1.556 0.010 . 1 . . . . A 34 LEU HG . 25421 1 391 . 1 1 34 34 LEU HD11 H 1 0.893 0.010 . 2 . . . . A 34 LEU HD11 . 25421 1 392 . 1 1 34 34 LEU HD12 H 1 0.893 0.010 . 2 . . . . A 34 LEU HD12 . 25421 1 393 . 1 1 34 34 LEU HD13 H 1 0.893 0.010 . 2 . . . . A 34 LEU HD13 . 25421 1 394 . 1 1 34 34 LEU HD21 H 1 0.840 0.001 . 2 . . . . A 34 LEU HD21 . 25421 1 395 . 1 1 34 34 LEU HD22 H 1 0.840 0.001 . 2 . . . . A 34 LEU HD22 . 25421 1 396 . 1 1 34 34 LEU HD23 H 1 0.840 0.001 . 2 . . . . A 34 LEU HD23 . 25421 1 397 . 1 1 34 34 LEU CA C 13 56.562 0.007 . 1 . . . . A 34 LEU CA . 25421 1 398 . 1 1 34 34 LEU CB C 13 43.572 0.009 . 1 . . . . A 34 LEU CB . 25421 1 399 . 1 1 34 34 LEU CG C 13 27.206 0.006 . 1 . . . . A 34 LEU CG . 25421 1 400 . 1 1 34 34 LEU CD1 C 13 25.233 0.300 . 2 . . . . A 34 LEU CD1 . 25421 1 401 . 1 1 34 34 LEU CD2 C 13 23.640 0.300 . 2 . . . . A 34 LEU CD2 . 25421 1 402 . 1 1 34 34 LEU N N 15 130.634 0.004 . 1 . . . . A 34 LEU N . 25421 1 stop_ save_