################################### # 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 18600 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 11 _Assigned_chem_shift_list.Sample_condition_list_label $507min _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 16 '3D HCCH-TOCSY' 2 $13C_15N-D2O isotropic 18600 1 18 '2D 1H-13C HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1 19 '2D 1H-13C HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1 20 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1 21 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1 22 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1 23 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1 24 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1 25 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1 26 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1 27 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1 28 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1 29 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 1 30 '2D 1H-15N HSQC/HMQC' 2 $13C_15N-D2O isotropic 18600 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 GLY HA2 H 1 3.989 0.004 . 1 . . . . . 1 GLY HA2 . 18600 1 2 . 1 1 1 1 GLY HA3 H 1 3.989 0.004 . 1 . . . . . 1 GLY HA3 . 18600 1 3 . 1 1 1 1 GLY CA C 13 43.294 0.0 . 1 . . . . . 1 GLY CA . 18600 1 4 . 1 1 2 2 THR HA H 1 4.412 0.005 . 1 . . . . . 2 THR HA . 18600 1 5 . 1 1 2 2 THR HB H 1 4.207 0.002 . 1 . . . . . 2 THR HB . 18600 1 6 . 1 1 2 2 THR HG21 H 1 1.237 0.006 . 1 . . . . . 2 THR HG21 . 18600 1 7 . 1 1 2 2 THR HG22 H 1 1.237 0.006 . 1 . . . . . 2 THR HG22 . 18600 1 8 . 1 1 2 2 THR HG23 H 1 1.237 0.006 . 1 . . . . . 2 THR HG23 . 18600 1 9 . 1 1 2 2 THR CA C 13 62.272 . . 1 . . . . . 2 THR CA . 18600 1 10 . 1 1 2 2 THR CB C 13 69.826 . . 1 . . . . . 2 THR CB . 18600 1 11 . 1 1 2 2 THR CG2 C 13 21.695 0.0 . 1 . . . . . 2 THR CG2 . 18600 1 12 . 1 1 3 3 TYR HA H 1 4.784 0.003 . 1 . . . . . 3 TYR HA . 18600 1 13 . 1 1 3 3 TYR HB2 H 1 3.107 0.003 . 2 . . . . . 3 TYR HB2 . 18600 1 14 . 1 1 3 3 TYR HB3 H 1 3.166 0.004 . 2 . . . . . 3 TYR HB3 . 18600 1 15 . 1 1 3 3 TYR HD1 H 1 7.177 . . 3 . . . . . 3 TYR HD1 . 18600 1 16 . 1 1 3 3 TYR HD2 H 1 7.177 . . 3 . . . . . 3 TYR HD2 . 18600 1 17 . 1 1 3 3 TYR HE1 H 1 6.786 . . 3 . . . . . 3 TYR HE1 . 18600 1 18 . 1 1 3 3 TYR HE2 H 1 6.786 . . 3 . . . . . 3 TYR HE2 . 18600 1 19 . 1 1 3 3 TYR CA C 13 58.150 . . 1 . . . . . 3 TYR CA . 18600 1 20 . 1 1 3 3 TYR CB C 13 39.360 0.002 . 1 . . . . . 3 TYR CB . 18600 1 21 . 1 1 3 3 TYR CD1 C 13 133.182 . . 3 . . . . . 3 TYR CD1 . 18600 1 22 . 1 1 3 3 TYR CD2 C 13 133.182 . . 3 . . . . . 3 TYR CD2 . 18600 1 23 . 1 1 3 3 TYR CE1 C 13 118.284 . . 3 . . . . . 3 TYR CE1 . 18600 1 24 . 1 1 3 3 TYR CE2 C 13 118.284 . . 3 . . . . . 3 TYR CE2 . 18600 1 25 . 1 1 4 4 CYS HA H 1 4.847 0.005 . 1 . . . . . 4 CYS HA . 18600 1 26 . 1 1 4 4 CYS HB2 H 1 3.040 0.004 . 1 . . . . . 4 CYS HB2 . 18600 1 27 . 1 1 4 4 CYS HB3 H 1 3.040 0.004 . 1 . . . . . 4 CYS HB3 . 18600 1 28 . 1 1 4 4 CYS CA C 13 53.469 . . 1 . . . . . 4 CYS CA . 18600 1 29 . 1 1 4 4 CYS CB C 13 42.215 0.0 . 1 . . . . . 4 CYS CB . 18600 1 30 . 1 1 5 5 ILE H H 1 9.043 0.008 . 1 . . . . . 5 ILE H . 18600 1 31 . 1 1 5 5 ILE HA H 1 3.982 0.005 . 1 . . . . . 5 ILE HA . 18600 1 32 . 1 1 5 5 ILE HB H 1 1.808 0.004 . 1 . . . . . 5 ILE HB . 18600 1 33 . 1 1 5 5 ILE HG12 H 1 1.041 0.003 . 2 . . . . . 5 ILE HG12 . 18600 1 34 . 1 1 5 5 ILE HG13 H 1 1.659 0.004 . 2 . . . . . 5 ILE HG13 . 18600 1 35 . 1 1 5 5 ILE HG21 H 1 1.345 0.003 . 1 . . . . . 5 ILE HG21 . 18600 1 36 . 1 1 5 5 ILE HG22 H 1 1.345 0.003 . 1 . . . . . 5 ILE HG22 . 18600 1 37 . 1 1 5 5 ILE HG23 H 1 1.345 0.003 . 1 . . . . . 5 ILE HG23 . 18600 1 38 . 1 1 5 5 ILE HD11 H 1 0.894 0.002 . 1 . . . . . 5 ILE HD11 . 18600 1 39 . 1 1 5 5 ILE HD12 H 1 0.894 0.002 . 1 . . . . . 5 ILE HD12 . 18600 1 40 . 1 1 5 5 ILE HD13 H 1 0.894 0.002 . 1 . . . . . 5 ILE HD13 . 18600 1 41 . 1 1 5 5 ILE CA C 13 63.042 . . 1 . . . . . 5 ILE CA . 18600 1 42 . 1 1 5 5 ILE CB C 13 39.318 0.0 . 1 . . . . . 5 ILE CB . 18600 1 43 . 1 1 5 5 ILE CG1 C 13 27.909 0.011 . 1 . . . . . 5 ILE CG1 . 18600 1 44 . 1 1 5 5 ILE CG2 C 13 20.287 . . 1 . . . . . 5 ILE CG2 . 18600 1 45 . 1 1 5 5 ILE CD1 C 13 15.191 . . 1 . . . . . 5 ILE CD1 . 18600 1 46 . 1 1 5 5 ILE N N 15 121.337 0.045 . 1 . . . . . 5 ILE N . 18600 1 47 . 1 1 6 6 GLU H H 1 8.728 0.017 . 1 . . . . . 6 GLU H . 18600 1 48 . 1 1 6 6 GLU HA H 1 4.194 0.004 . 1 . . . . . 6 GLU HA . 18600 1 49 . 1 1 6 6 GLU HB2 H 1 2.325 0.003 . 2 . . . . . 6 GLU HB2 . 18600 1 50 . 1 1 6 6 GLU HB3 H 1 2.130 0.004 . 2 . . . . . 6 GLU HB3 . 18600 1 51 . 1 1 6 6 GLU HG2 H 1 2.613 0.003 . 2 . . . . . 6 GLU HG2 . 18600 1 52 . 1 1 6 6 GLU HG3 H 1 2.531 0.004 . 2 . . . . . 6 GLU HG3 . 18600 1 53 . 1 1 6 6 GLU CA C 13 56.892 0.0 . 1 . . . . . 6 GLU CA . 18600 1 54 . 1 1 6 6 GLU CB C 13 31.179 0.001 . 1 . . . . . 6 GLU CB . 18600 1 55 . 1 1 6 6 GLU CG C 13 36.713 0.006 . 1 . . . . . 6 GLU CG . 18600 1 56 . 1 1 6 6 GLU N N 15 128.426 0.051 . 1 . . . . . 6 GLU N . 18600 1 57 . 1 1 7 7 LEU H H 1 8.200 . . 1 . . . . . 7 LEU H . 18600 1 58 . 1 1 7 7 LEU HA H 1 3.848 0.005 . 1 . . . . . 7 LEU HA . 18600 1 59 . 1 1 7 7 LEU HB2 H 1 1.539 0.002 . 2 . . . . . 7 LEU HB2 . 18600 1 60 . 1 1 7 7 LEU HB3 H 1 1.624 0.005 . 2 . . . . . 7 LEU HB3 . 18600 1 61 . 1 1 7 7 LEU HG H 1 1.564 0.004 . 1 . . . . . 7 LEU HG . 18600 1 62 . 1 1 7 7 LEU HD11 H 1 0.635 0.003 . 2 . . . . . 7 LEU HD11 . 18600 1 63 . 1 1 7 7 LEU HD12 H 1 0.635 0.003 . 2 . . . . . 7 LEU HD12 . 18600 1 64 . 1 1 7 7 LEU HD13 H 1 0.635 0.003 . 2 . . . . . 7 LEU HD13 . 18600 1 65 . 1 1 7 7 LEU HD21 H 1 0.572 0.002 . 2 . . . . . 7 LEU HD21 . 18600 1 66 . 1 1 7 7 LEU HD22 H 1 0.572 0.002 . 2 . . . . . 7 LEU HD22 . 18600 1 67 . 1 1 7 7 LEU HD23 H 1 0.572 0.002 . 2 . . . . . 7 LEU HD23 . 18600 1 68 . 1 1 7 7 LEU CA C 13 56.537 0.0 . 1 . . . . . 7 LEU CA . 18600 1 69 . 1 1 7 7 LEU CB C 13 42.565 0.0 . 1 . . . . . 7 LEU CB . 18600 1 70 . 1 1 7 7 LEU CG C 13 26.530 0.0 . 1 . . . . . 7 LEU CG . 18600 1 71 . 1 1 7 7 LEU CD1 C 13 25.338 0.0 . 2 . . . . . 7 LEU CD1 . 18600 1 72 . 1 1 7 7 LEU CD2 C 13 24.527 . . 2 . . . . . 7 LEU CD2 . 18600 1 73 . 1 1 7 7 LEU N N 15 119.549 . . 1 . . . . . 7 LEU N . 18600 1 74 . 1 1 8 8 GLY H H 1 9.403 0.001 . 1 . . . . . 8 GLY H . 18600 1 75 . 1 1 8 8 GLY HA2 H 1 3.807 0.004 . 2 . . . . . 8 GLY HA2 . 18600 1 76 . 1 1 8 8 GLY HA3 H 1 4.421 0.004 . 2 . . . . . 8 GLY HA3 . 18600 1 77 . 1 1 8 8 GLY CA C 13 45.223 0.001 . 1 . . . . . 8 GLY CA . 18600 1 78 . 1 1 8 8 GLY N N 15 112.714 0.041 . 1 . . . . . 8 GLY N . 18600 1 79 . 1 1 9 9 GLU H H 1 7.676 0.006 . 1 . . . . . 9 GLU H . 18600 1 80 . 1 1 9 9 GLU HA H 1 4.724 0.004 . 1 . . . . . 9 GLU HA . 18600 1 81 . 1 1 9 9 GLU HB2 H 1 2.309 0.005 . 2 . . . . . 9 GLU HB2 . 18600 1 82 . 1 1 9 9 GLU HB3 H 1 2.356 0.004 . 2 . . . . . 9 GLU HB3 . 18600 1 83 . 1 1 9 9 GLU HG2 H 1 2.210 0.005 . 2 . . . . . 9 GLU HG2 . 18600 1 84 . 1 1 9 9 GLU HG3 H 1 2.554 0.003 . 2 . . . . . 9 GLU HG3 . 18600 1 85 . 1 1 9 9 GLU CA C 13 54.780 0.0 . 1 . . . . . 9 GLU CA . 18600 1 86 . 1 1 9 9 GLU CB C 13 30.852 0.002 . 1 . . . . . 9 GLU CB . 18600 1 87 . 1 1 9 9 GLU CG C 13 36.602 0.009 . 1 . . . . . 9 GLU CG . 18600 1 88 . 1 1 9 9 GLU N N 15 119.069 0.084 . 1 . . . . . 9 GLU N . 18600 1 89 . 1 1 10 10 ARG H H 1 8.649 0.002 . 1 . . . . . 10 ARG H . 18600 1 90 . 1 1 10 10 ARG HA H 1 4.493 0.009 . 1 . . . . . 10 ARG HA . 18600 1 91 . 1 1 10 10 ARG HB2 H 1 1.832 0.002 . 1 . . . . . 10 ARG HB2 . 18600 1 92 . 1 1 10 10 ARG HB3 H 1 1.832 0.002 . 1 . . . . . 10 ARG HB3 . 18600 1 93 . 1 1 10 10 ARG HG2 H 1 1.517 0.002 . 2 . . . . . 10 ARG HG2 . 18600 1 94 . 1 1 10 10 ARG HG3 H 1 1.844 0.002 . 2 . . . . . 10 ARG HG3 . 18600 1 95 . 1 1 10 10 ARG HD2 H 1 3.136 0.01 . 2 . . . . . 10 ARG HD2 . 18600 1 96 . 1 1 10 10 ARG HD3 H 1 3.171 0.009 . 2 . . . . . 10 ARG HD3 . 18600 1 97 . 1 1 10 10 ARG CA C 13 56.156 0.031 . 1 . . . . . 10 ARG CA . 18600 1 98 . 1 1 10 10 ARG CB C 13 31.181 0.002 . 1 . . . . . 10 ARG CB . 18600 1 99 . 1 1 10 10 ARG CG C 13 27.618 0.014 . 1 . . . . . 10 ARG CG . 18600 1 100 . 1 1 10 10 ARG CD C 13 43.273 0.003 . 1 . . . . . 10 ARG CD . 18600 1 101 . 1 1 10 10 ARG N N 15 119.570 0.001 . 1 . . . . . 10 ARG N . 18600 1 102 . 1 1 11 11 CYS H H 1 8.099 0.003 . 1 . . . . . 11 CYS H . 18600 1 103 . 1 1 11 11 CYS HA H 1 5.110 0.004 . 1 . . . . . 11 CYS HA . 18600 1 104 . 1 1 11 11 CYS HB2 H 1 3.034 0.006 . 2 . . . . . 11 CYS HB2 . 18600 1 105 . 1 1 11 11 CYS HB3 H 1 3.552 0.005 . 2 . . . . . 11 CYS HB3 . 18600 1 106 . 1 1 11 11 CYS CA C 13 51.335 . . 1 . . . . . 11 CYS CA . 18600 1 107 . 1 1 11 11 CYS CB C 13 48.475 0.001 . 1 . . . . . 11 CYS CB . 18600 1 108 . 1 1 11 11 CYS N N 15 116.099 0.063 . 1 . . . . . 11 CYS N . 18600 1 109 . 1 1 12 12 PRO HA H 1 4.354 0.004 . 1 . . . . . 12 PRO HA . 18600 1 110 . 1 1 12 12 PRO HB2 H 1 1.715 0.003 . 1 . . . . . 12 PRO HB2 . 18600 1 111 . 1 1 12 12 PRO HB3 H 1 1.715 0.003 . 1 . . . . . 12 PRO HB3 . 18600 1 112 . 1 1 12 12 PRO HG2 H 1 1.610 0.004 . 1 . . . . . 12 PRO HG2 . 18600 1 113 . 1 1 12 12 PRO HG3 H 1 1.610 0.004 . 1 . . . . . 12 PRO HG3 . 18600 1 114 . 1 1 12 12 PRO HD2 H 1 3.494 0.006 . 1 . . . . . 12 PRO HD2 . 18600 1 115 . 1 1 12 12 PRO HD3 H 1 3.494 0.006 . 1 . . . . . 12 PRO HD3 . 18600 1 116 . 1 1 12 12 PRO CA C 13 61.343 0.0 . 1 . . . . . 12 PRO CA . 18600 1 117 . 1 1 12 12 PRO CB C 13 31.648 0.0 . 1 . . . . . 12 PRO CB . 18600 1 118 . 1 1 12 12 PRO CG C 13 26.750 0.001 . 1 . . . . . 12 PRO CG . 18600 1 119 . 1 1 12 12 PRO CD C 13 49.563 . . 1 . . . . . 12 PRO CD . 18600 1 120 . 1 1 13 13 ASN HA H 1 2.759 0.002 . 1 . . . . . 13 ASN HA . 18600 1 121 . 1 1 13 13 ASN HB2 H 1 2.584 0.002 . 2 . . . . . 13 ASN HB2 . 18600 1 122 . 1 1 13 13 ASN HB3 H 1 2.747 0.002 . 2 . . . . . 13 ASN HB3 . 18600 1 123 . 1 1 13 13 ASN CA C 13 50.734 . . 1 . . . . . 13 ASN CA . 18600 1 124 . 1 1 13 13 ASN CB C 13 38.667 0.0 . 1 . . . . . 13 ASN CB . 18600 1 125 . 1 1 14 14 PRO HA H 1 4.502 0.003 . 1 . . . . . 14 PRO HA . 18600 1 126 . 1 1 14 14 PRO HB2 H 1 1.881 0.004 . 2 . . . . . 14 PRO HB2 . 18600 1 127 . 1 1 14 14 PRO HB3 H 1 2.194 0.004 . 2 . . . . . 14 PRO HB3 . 18600 1 128 . 1 1 14 14 PRO HG2 H 1 1.817 0.003 . 2 . . . . . 14 PRO HG2 . 18600 1 129 . 1 1 14 14 PRO HG3 H 1 1.777 0.002 . 2 . . . . . 14 PRO HG3 . 18600 1 130 . 1 1 14 14 PRO HD2 H 1 2.810 0.005 . 2 . . . . . 14 PRO HD2 . 18600 1 131 . 1 1 14 14 PRO HD3 H 1 2.959 0.005 . 2 . . . . . 14 PRO HD3 . 18600 1 132 . 1 1 14 14 PRO CA C 13 63.872 0.0 . 1 . . . . . 14 PRO CA . 18600 1 133 . 1 1 14 14 PRO CB C 13 31.110 0.001 . 1 . . . . . 14 PRO CB . 18600 1 134 . 1 1 14 14 PRO CG C 13 26.198 0.003 . 1 . . . . . 14 PRO CG . 18600 1 135 . 1 1 14 14 PRO CD C 13 51.676 0.001 . 1 . . . . . 14 PRO CD . 18600 1 136 . 1 1 15 15 ARG HA H 1 4.178 0.003 . 1 . . . . . 15 ARG HA . 18600 1 137 . 1 1 15 15 ARG HB2 H 1 1.903 0.002 . 2 . . . . . 15 ARG HB2 . 18600 1 138 . 1 1 15 15 ARG HB3 H 1 1.737 0.003 . 2 . . . . . 15 ARG HB3 . 18600 1 139 . 1 1 15 15 ARG HG2 H 1 1.686 0.004 . 2 . . . . . 15 ARG HG2 . 18600 1 140 . 1 1 15 15 ARG HG3 H 1 1.574 0.003 . 2 . . . . . 15 ARG HG3 . 18600 1 141 . 1 1 15 15 ARG HD2 H 1 3.244 0.003 . 2 . . . . . 15 ARG HD2 . 18600 1 142 . 1 1 15 15 ARG HD3 H 1 3.282 0.003 . 2 . . . . . 15 ARG HD3 . 18600 1 143 . 1 1 15 15 ARG CA C 13 59.012 0.0 . 1 . . . . . 15 ARG CA . 18600 1 144 . 1 1 15 15 ARG CB C 13 29.608 0.0 . 1 . . . . . 15 ARG CB . 18600 1 145 . 1 1 15 15 ARG CG C 13 27.017 0.0 . 1 . . . . . 15 ARG CG . 18600 1 146 . 1 1 15 15 ARG CD C 13 43.420 0.001 . 1 . . . . . 15 ARG CD . 18600 1 147 . 1 1 16 16 GLU HA H 1 4.548 0.004 . 1 . . . . . 16 GLU HA . 18600 1 148 . 1 1 16 16 GLU HB2 H 1 2.102 0.005 . 2 . . . . . 16 GLU HB2 . 18600 1 149 . 1 1 16 16 GLU HB3 H 1 2.535 0.003 . 2 . . . . . 16 GLU HB3 . 18600 1 150 . 1 1 16 16 GLU HG2 H 1 2.324 0.005 . 1 . . . . . 16 GLU HG2 . 18600 1 151 . 1 1 16 16 GLU HG3 H 1 2.324 0.005 . 1 . . . . . 16 GLU HG3 . 18600 1 152 . 1 1 16 16 GLU CA C 13 55.895 . . 1 . . . . . 16 GLU CA . 18600 1 153 . 1 1 16 16 GLU CB C 13 29.855 0.0 . 1 . . . . . 16 GLU CB . 18600 1 154 . 1 1 16 16 GLU CG C 13 37.078 . . 1 . . . . . 16 GLU CG . 18600 1 155 . 1 1 17 17 GLY HA2 H 1 4.147 0.002 . 2 . . . . . 17 GLY HA2 . 18600 1 156 . 1 1 17 17 GLY HA3 H 1 3.442 0.002 . 2 . . . . . 17 GLY HA3 . 18600 1 157 . 1 1 17 17 GLY CA C 13 44.066 0.001 . 1 . . . . . 17 GLY CA . 18600 1 158 . 1 1 18 18 ASP HA H 1 4.901 0.004 . 1 . . . . . 18 ASP HA . 18600 1 159 . 1 1 18 18 ASP HB2 H 1 2.405 0.003 . 2 . . . . . 18 ASP HB2 . 18600 1 160 . 1 1 18 18 ASP HB3 H 1 3.086 0.001 . 2 . . . . . 18 ASP HB3 . 18600 1 161 . 1 1 18 18 ASP CA C 13 53.090 . . 1 . . . . . 18 ASP CA . 18600 1 162 . 1 1 18 18 ASP CB C 13 41.964 0.0 . 1 . . . . . 18 ASP CB . 18600 1 163 . 1 1 19 19 TRP HA H 1 4.646 0.009 . 1 . . . . . 19 TRP HA . 18600 1 164 . 1 1 19 19 TRP HB2 H 1 2.726 0.005 . 2 . . . . . 19 TRP HB2 . 18600 1 165 . 1 1 19 19 TRP HB3 H 1 3.723 0.007 . 2 . . . . . 19 TRP HB3 . 18600 1 166 . 1 1 19 19 TRP HD1 H 1 7.261 . . 1 . . . . . 19 TRP HD1 . 18600 1 167 . 1 1 19 19 TRP HE3 H 1 7.574 . . 1 . . . . . 19 TRP HE3 . 18600 1 168 . 1 1 19 19 TRP HZ2 H 1 7.332 . . 1 . . . . . 19 TRP HZ2 . 18600 1 169 . 1 1 19 19 TRP HZ3 H 1 7.013 . . 1 . . . . . 19 TRP HZ3 . 18600 1 170 . 1 1 19 19 TRP HH2 H 1 7.053 . . 1 . . . . . 19 TRP HH2 . 18600 1 171 . 1 1 19 19 TRP CA C 13 58.172 0.0 . 1 . . . . . 19 TRP CA . 18600 1 172 . 1 1 19 19 TRP CB C 13 30.230 0.037 . 1 . . . . . 19 TRP CB . 18600 1 173 . 1 1 19 19 TRP CD1 C 13 126.927 . . 1 . . . . . 19 TRP CD1 . 18600 1 174 . 1 1 19 19 TRP CE3 C 13 120.849 . . 1 . . . . . 19 TRP CE3 . 18600 1 175 . 1 1 19 19 TRP CZ2 C 13 114.017 . . 1 . . . . . 19 TRP CZ2 . 18600 1 176 . 1 1 19 19 TRP CZ3 C 13 121.796 . . 1 . . . . . 19 TRP CZ3 . 18600 1 177 . 1 1 19 19 TRP CH2 C 13 124.062 . . 1 . . . . . 19 TRP CH2 . 18600 1 178 . 1 1 20 20 CYS HA H 1 4.846 0.006 . 1 . . . . . 20 CYS HA . 18600 1 179 . 1 1 20 20 CYS HB2 H 1 2.940 0.005 . 2 . . . . . 20 CYS HB2 . 18600 1 180 . 1 1 20 20 CYS HB3 H 1 3.128 0.001 . 2 . . . . . 20 CYS HB3 . 18600 1 181 . 1 1 20 20 CYS CA C 13 57.129 0.0 . 1 . . . . . 20 CYS CA . 18600 1 182 . 1 1 20 20 CYS CB C 13 37.732 0.002 . 1 . . . . . 20 CYS CB . 18600 1 183 . 1 1 21 21 CYS HA H 1 4.481 0.003 . 1 . . . . . 21 CYS HA . 18600 1 184 . 1 1 21 21 CYS HB2 H 1 3.041 0.004 . 2 . . . . . 21 CYS HB2 . 18600 1 185 . 1 1 21 21 CYS HB3 H 1 2.858 0.002 . 2 . . . . . 21 CYS HB3 . 18600 1 186 . 1 1 21 21 CYS CA C 13 56.689 . . 1 . . . . . 21 CYS CA . 18600 1 187 . 1 1 21 21 CYS CB C 13 38.259 0.001 . 1 . . . . . 21 CYS CB . 18600 1 188 . 1 1 22 22 HIS HA H 1 4.555 0.002 . 1 . . . . . 22 HIS HA . 18600 1 189 . 1 1 22 22 HIS HB2 H 1 3.548 0.003 . 2 . . . . . 22 HIS HB2 . 18600 1 190 . 1 1 22 22 HIS HB3 H 1 2.636 0.004 . 2 . . . . . 22 HIS HB3 . 18600 1 191 . 1 1 22 22 HIS HD2 H 1 7.072 . . 1 . . . . . 22 HIS HD2 . 18600 1 192 . 1 1 22 22 HIS HE1 H 1 7.811 . . 1 . . . . . 22 HIS HE1 . 18600 1 193 . 1 1 22 22 HIS CA C 13 57.656 0.0 . 1 . . . . . 22 HIS CA . 18600 1 194 . 1 1 22 22 HIS CB C 13 29.224 0.002 . 1 . . . . . 22 HIS CB . 18600 1 195 . 1 1 22 22 HIS CD2 C 13 117.039 . . 1 . . . . . 22 HIS CD2 . 18600 1 196 . 1 1 22 22 HIS CE1 C 13 137.930 . . 1 . . . . . 22 HIS CE1 . 18600 1 197 . 1 1 23 23 LYS H H 1 8.210 0.003 . 1 . . . . . 23 LYS H . 18600 1 198 . 1 1 23 23 LYS HA H 1 5.013 0.004 . 1 . . . . . 23 LYS HA . 18600 1 199 . 1 1 23 23 LYS HB2 H 1 1.885 0.003 . 2 . . . . . 23 LYS HB2 . 18600 1 200 . 1 1 23 23 LYS HB3 H 1 1.829 0.003 . 2 . . . . . 23 LYS HB3 . 18600 1 201 . 1 1 23 23 LYS HG2 H 1 1.395 0.003 . 2 . . . . . 23 LYS HG2 . 18600 1 202 . 1 1 23 23 LYS HG3 H 1 1.537 0.003 . 2 . . . . . 23 LYS HG3 . 18600 1 203 . 1 1 23 23 LYS HD2 H 1 1.716 0.003 . 1 . . . . . 23 LYS HD2 . 18600 1 204 . 1 1 23 23 LYS HD3 H 1 1.716 0.003 . 1 . . . . . 23 LYS HD3 . 18600 1 205 . 1 1 23 23 LYS HE2 H 1 3.096 0.004 . 1 . . . . . 23 LYS HE2 . 18600 1 206 . 1 1 23 23 LYS HE3 H 1 3.096 0.004 . 1 . . . . . 23 LYS HE3 . 18600 1 207 . 1 1 23 23 LYS CA C 13 55.097 . . 1 . . . . . 23 LYS CA . 18600 1 208 . 1 1 23 23 LYS CB C 13 36.885 0.0 . 1 . . . . . 23 LYS CB . 18600 1 209 . 1 1 23 23 LYS CG C 13 25.258 0.001 . 1 . . . . . 23 LYS CG . 18600 1 210 . 1 1 23 23 LYS CD C 13 29.288 0.0 . 1 . . . . . 23 LYS CD . 18600 1 211 . 1 1 23 23 LYS CE C 13 42.114 0.0 . 1 . . . . . 23 LYS CE . 18600 1 212 . 1 1 23 23 LYS N N 15 121.881 0.018 . 1 . . . . . 23 LYS N . 18600 1 213 . 1 1 24 24 CYS HA H 1 5.097 0.003 . 1 . . . . . 24 CYS HA . 18600 1 214 . 1 1 24 24 CYS HB2 H 1 2.691 0.008 . 2 . . . . . 24 CYS HB2 . 18600 1 215 . 1 1 24 24 CYS HB3 H 1 3.848 0.004 . 2 . . . . . 24 CYS HB3 . 18600 1 216 . 1 1 24 24 CYS CA C 13 56.338 . . 1 . . . . . 24 CYS CA . 18600 1 217 . 1 1 24 24 CYS CB C 13 38.747 0.001 . 1 . . . . . 24 CYS CB . 18600 1 218 . 1 1 25 25 VAL H H 1 9.532 0.002 . 1 . . . . . 25 VAL H . 18600 1 219 . 1 1 25 25 VAL HA H 1 5.141 0.005 . 1 . . . . . 25 VAL HA . 18600 1 220 . 1 1 25 25 VAL HB H 1 2.393 0.005 . 1 . . . . . 25 VAL HB . 18600 1 221 . 1 1 25 25 VAL HG11 H 1 1.086 0.004 . 2 . . . . . 25 VAL HG11 . 18600 1 222 . 1 1 25 25 VAL HG12 H 1 1.086 0.004 . 2 . . . . . 25 VAL HG12 . 18600 1 223 . 1 1 25 25 VAL HG13 H 1 1.086 0.004 . 2 . . . . . 25 VAL HG13 . 18600 1 224 . 1 1 25 25 VAL HG21 H 1 1.086 0.005 . 2 . . . . . 25 VAL HG21 . 18600 1 225 . 1 1 25 25 VAL HG22 H 1 1.086 0.005 . 2 . . . . . 25 VAL HG22 . 18600 1 226 . 1 1 25 25 VAL HG23 H 1 1.086 0.005 . 2 . . . . . 25 VAL HG23 . 18600 1 227 . 1 1 25 25 VAL CA C 13 58.788 . . 1 . . . . . 25 VAL CA . 18600 1 228 . 1 1 25 25 VAL CB C 13 34.195 0.0 . 1 . . . . . 25 VAL CB . 18600 1 229 . 1 1 25 25 VAL CG1 C 13 20.681 0.0 . 2 . . . . . 25 VAL CG1 . 18600 1 230 . 1 1 25 25 VAL CG2 C 13 21.267 . . 2 . . . . . 25 VAL CG2 . 18600 1 231 . 1 1 25 25 VAL N N 15 127.547 0.012 . 1 . . . . . 25 VAL N . 18600 1 232 . 1 1 26 26 PRO HA H 1 4.579 0.004 . 1 . . . . . 26 PRO HA . 18600 1 233 . 1 1 26 26 PRO HB2 H 1 1.898 0.002 . 2 . . . . . 26 PRO HB2 . 18600 1 234 . 1 1 26 26 PRO HB3 H 1 2.047 0.002 . 2 . . . . . 26 PRO HB3 . 18600 1 235 . 1 1 26 26 PRO HG2 H 1 2.246 0.003 . 2 . . . . . 26 PRO HG2 . 18600 1 236 . 1 1 26 26 PRO HG3 H 1 2.372 0.003 . 2 . . . . . 26 PRO HG3 . 18600 1 237 . 1 1 26 26 PRO HD2 H 1 4.034 0.005 . 2 . . . . . 26 PRO HD2 . 18600 1 238 . 1 1 26 26 PRO HD3 H 1 4.088 0.004 . 2 . . . . . 26 PRO HD3 . 18600 1 239 . 1 1 26 26 PRO CA C 13 62.420 . . 1 . . . . . 26 PRO CA . 18600 1 240 . 1 1 26 26 PRO CB C 13 32.183 0.0 . 1 . . . . . 26 PRO CB . 18600 1 241 . 1 1 26 26 PRO CG C 13 27.438 0.001 . 1 . . . . . 26 PRO CG . 18600 1 242 . 1 1 26 26 PRO CD C 13 51.173 0.009 . 1 . . . . . 26 PRO CD . 18600 1 243 . 1 1 27 27 GLU H H 1 8.529 0.002 . 1 . . . . . 27 GLU H . 18600 1 244 . 1 1 27 27 GLU HA H 1 4.476 0.003 . 1 . . . . . 27 GLU HA . 18600 1 245 . 1 1 27 27 GLU HB2 H 1 2.044 0.004 . 2 . . . . . 27 GLU HB2 . 18600 1 246 . 1 1 27 27 GLU HB3 H 1 1.948 0.003 . 2 . . . . . 27 GLU HB3 . 18600 1 247 . 1 1 27 27 GLU HG2 H 1 2.258 0.002 . 2 . . . . . 27 GLU HG2 . 18600 1 248 . 1 1 27 27 GLU HG3 H 1 2.365 0.003 . 2 . . . . . 27 GLU HG3 . 18600 1 249 . 1 1 27 27 GLU CA C 13 55.782 0.0 . 1 . . . . . 27 GLU CA . 18600 1 250 . 1 1 27 27 GLU CB C 13 31.589 0.001 . 1 . . . . . 27 GLU CB . 18600 1 251 . 1 1 27 27 GLU CG C 13 36.267 0.001 . 1 . . . . . 27 GLU CG . 18600 1 252 . 1 1 27 27 GLU N N 15 124.220 0.042 . 1 . . . . . 27 GLU N . 18600 1 253 . 1 1 28 28 GLY HA2 H 1 3.740 0.0 . 2 . . . . . 28 GLY HA2 . 18600 1 254 . 1 1 28 28 GLY HA3 H 1 4.095 0.001 . 2 . . . . . 28 GLY HA3 . 18600 1 255 . 1 1 28 28 GLY CA C 13 46.797 0.001 . 1 . . . . . 28 GLY CA . 18600 1 256 . 1 1 29 29 LYS HA H 1 4.371 0.002 . 1 . . . . . 29 LYS HA . 18600 1 257 . 1 1 29 29 LYS HB2 H 1 2.157 0.003 . 2 . . . . . 29 LYS HB2 . 18600 1 258 . 1 1 29 29 LYS HB3 H 1 1.816 0.002 . 2 . . . . . 29 LYS HB3 . 18600 1 259 . 1 1 29 29 LYS HG2 H 1 1.556 0.003 . 1 . . . . . 29 LYS HG2 . 18600 1 260 . 1 1 29 29 LYS HG3 H 1 1.556 0.003 . 1 . . . . . 29 LYS HG3 . 18600 1 261 . 1 1 29 29 LYS HD2 H 1 1.774 0.002 . 1 . . . . . 29 LYS HD2 . 18600 1 262 . 1 1 29 29 LYS HD3 H 1 1.774 0.002 . 1 . . . . . 29 LYS HD3 . 18600 1 263 . 1 1 29 29 LYS HE2 H 1 3.099 0.003 . 1 . . . . . 29 LYS HE2 . 18600 1 264 . 1 1 29 29 LYS HE3 H 1 3.099 0.003 . 1 . . . . . 29 LYS HE3 . 18600 1 265 . 1 1 29 29 LYS CA C 13 56.260 0.0 . 1 . . . . . 29 LYS CA . 18600 1 266 . 1 1 29 29 LYS CB C 13 32.339 0.0 . 1 . . . . . 29 LYS CB . 18600 1 267 . 1 1 29 29 LYS CG C 13 25.061 . . 1 . . . . . 29 LYS CG . 18600 1 268 . 1 1 29 29 LYS CD C 13 28.898 0.0 . 1 . . . . . 29 LYS CD . 18600 1 269 . 1 1 29 29 LYS CE C 13 42.123 . . 1 . . . . . 29 LYS CE . 18600 1 270 . 1 1 30 30 ARG HA H 1 4.633 0.003 . 1 . . . . . 30 ARG HA . 18600 1 271 . 1 1 30 30 ARG HB2 H 1 1.848 0.003 . 2 . . . . . 30 ARG HB2 . 18600 1 272 . 1 1 30 30 ARG HB3 H 1 1.976 0.002 . 2 . . . . . 30 ARG HB3 . 18600 1 273 . 1 1 30 30 ARG HG2 H 1 1.755 0.002 . 2 . . . . . 30 ARG HG2 . 18600 1 274 . 1 1 30 30 ARG HG3 H 1 1.707 0.004 . 2 . . . . . 30 ARG HG3 . 18600 1 275 . 1 1 30 30 ARG HD2 H 1 3.251 0.003 . 2 . . . . . 30 ARG HD2 . 18600 1 276 . 1 1 30 30 ARG HD3 H 1 3.346 0.003 . 2 . . . . . 30 ARG HD3 . 18600 1 277 . 1 1 30 30 ARG CA C 13 54.350 0.0 . 1 . . . . . 30 ARG CA . 18600 1 278 . 1 1 30 30 ARG CB C 13 34.063 0.0 . 1 . . . . . 30 ARG CB . 18600 1 279 . 1 1 30 30 ARG CG C 13 27.847 0.0 . 1 . . . . . 30 ARG CG . 18600 1 280 . 1 1 30 30 ARG CD C 13 43.723 0.002 . 1 . . . . . 30 ARG CD . 18600 1 281 . 1 1 31 31 PHE HA H 1 5.346 0.003 . 1 . . . . . 31 PHE HA . 18600 1 282 . 1 1 31 31 PHE HB2 H 1 3.263 0.002 . 2 . . . . . 31 PHE HB2 . 18600 1 283 . 1 1 31 31 PHE HB3 H 1 3.118 0.003 . 2 . . . . . 31 PHE HB3 . 18600 1 284 . 1 1 31 31 PHE HD1 H 1 7.068 . . 3 . . . . . 31 PHE HD1 . 18600 1 285 . 1 1 31 31 PHE HD2 H 1 7.068 . . 3 . . . . . 31 PHE HD2 . 18600 1 286 . 1 1 31 31 PHE HE1 H 1 7.426 . . 3 . . . . . 31 PHE HE1 . 18600 1 287 . 1 1 31 31 PHE HE2 H 1 7.426 . . 3 . . . . . 31 PHE HE2 . 18600 1 288 . 1 1 31 31 PHE HZ H 1 7.312 . . 1 . . . . . 31 PHE HZ . 18600 1 289 . 1 1 31 31 PHE CA C 13 57.155 . . 1 . . . . . 31 PHE CA . 18600 1 290 . 1 1 31 31 PHE CB C 13 42.199 0.011 . 1 . . . . . 31 PHE CB . 18600 1 291 . 1 1 31 31 PHE CD1 C 13 132.194 . . 3 . . . . . 31 PHE CD1 . 18600 1 292 . 1 1 31 31 PHE CD2 C 13 132.194 . . 3 . . . . . 31 PHE CD2 . 18600 1 293 . 1 1 31 31 PHE CE1 C 13 131.154 . . 3 . . . . . 31 PHE CE1 . 18600 1 294 . 1 1 31 31 PHE CE2 C 13 131.154 . . 3 . . . . . 31 PHE CE2 . 18600 1 295 . 1 1 31 31 PHE CZ C 13 129.590 . . 1 . . . . . 31 PHE CZ . 18600 1 296 . 1 1 32 32 TYR H H 1 9.101 0.002 . 1 . . . . . 32 TYR H . 18600 1 297 . 1 1 32 32 TYR HA H 1 5.197 0.003 . 1 . . . . . 32 TYR HA . 18600 1 298 . 1 1 32 32 TYR HB2 H 1 2.695 0.001 . 2 . . . . . 32 TYR HB2 . 18600 1 299 . 1 1 32 32 TYR HB3 H 1 2.532 0.003 . 2 . . . . . 32 TYR HB3 . 18600 1 300 . 1 1 32 32 TYR HD1 H 1 6.948 . . 3 . . . . . 32 TYR HD1 . 18600 1 301 . 1 1 32 32 TYR HD2 H 1 6.948 . . 3 . . . . . 32 TYR HD2 . 18600 1 302 . 1 1 32 32 TYR HE1 H 1 6.848 . . 3 . . . . . 32 TYR HE1 . 18600 1 303 . 1 1 32 32 TYR HE2 H 1 6.848 . . 3 . . . . . 32 TYR HE2 . 18600 1 304 . 1 1 32 32 TYR CA C 13 57.269 . . 1 . . . . . 32 TYR CA . 18600 1 305 . 1 1 32 32 TYR CB C 13 44.485 0.004 . 1 . . . . . 32 TYR CB . 18600 1 306 . 1 1 32 32 TYR CD1 C 13 133.309 . . 3 . . . . . 32 TYR CD1 . 18600 1 307 . 1 1 32 32 TYR CD2 C 13 133.309 . . 3 . . . . . 32 TYR CD2 . 18600 1 308 . 1 1 32 32 TYR CE1 C 13 117.698 . . 3 . . . . . 32 TYR CE1 . 18600 1 309 . 1 1 32 32 TYR CE2 C 13 117.698 . . 3 . . . . . 32 TYR CE2 . 18600 1 310 . 1 1 32 32 TYR N N 15 119.790 0.022 . 1 . . . . . 32 TYR N . 18600 1 311 . 1 1 33 33 CYS H H 1 8.969 0.004 . 1 . . . . . 33 CYS H . 18600 1 312 . 1 1 33 33 CYS HA H 1 5.710 0.003 . 1 . . . . . 33 CYS HA . 18600 1 313 . 1 1 33 33 CYS HB2 H 1 3.962 0.003 . 2 . . . . . 33 CYS HB2 . 18600 1 314 . 1 1 33 33 CYS HB3 H 1 3.091 0.004 . 2 . . . . . 33 CYS HB3 . 18600 1 315 . 1 1 33 33 CYS CA C 13 52.703 0.004 . 1 . . . . . 33 CYS CA . 18600 1 316 . 1 1 33 33 CYS CB C 13 37.375 0.001 . 1 . . . . . 33 CYS CB . 18600 1 317 . 1 1 33 33 CYS N N 15 119.687 0.056 . 1 . . . . . 33 CYS N . 18600 1 318 . 1 1 34 34 ARG H H 1 10.113 0.003 . 1 . . . . . 34 ARG H . 18600 1 319 . 1 1 34 34 ARG HA H 1 4.813 0.003 . 1 . . . . . 34 ARG HA . 18600 1 320 . 1 1 34 34 ARG HB2 H 1 1.970 0.004 . 2 . . . . . 34 ARG HB2 . 18600 1 321 . 1 1 34 34 ARG HB3 H 1 1.801 0.004 . 2 . . . . . 34 ARG HB3 . 18600 1 322 . 1 1 34 34 ARG HG2 H 1 1.745 0.003 . 2 . . . . . 34 ARG HG2 . 18600 1 323 . 1 1 34 34 ARG HG3 H 1 1.667 0.003 . 2 . . . . . 34 ARG HG3 . 18600 1 324 . 1 1 34 34 ARG HD2 H 1 3.002 0.006 . 2 . . . . . 34 ARG HD2 . 18600 1 325 . 1 1 34 34 ARG HD3 H 1 3.618 0.005 . 2 . . . . . 34 ARG HD3 . 18600 1 326 . 1 1 34 34 ARG CA C 13 53.156 0.0 . 1 . . . . . 34 ARG CA . 18600 1 327 . 1 1 34 34 ARG CB C 13 35.337 0.002 . 1 . . . . . 34 ARG CB . 18600 1 328 . 1 1 34 34 ARG CG C 13 26.350 0.003 . 1 . . . . . 34 ARG CG . 18600 1 329 . 1 1 34 34 ARG CD C 13 43.124 0.0 . 1 . . . . . 34 ARG CD . 18600 1 330 . 1 1 34 34 ARG N N 15 124.503 0.066 . 1 . . . . . 34 ARG N . 18600 1 331 . 1 1 35 35 ASP HA H 1 4.913 0.001 . 1 . . . . . 35 ASP HA . 18600 1 332 . 1 1 35 35 ASP HB2 H 1 2.249 0.002 . 2 . . . . . 35 ASP HB2 . 18600 1 333 . 1 1 35 35 ASP HB3 H 1 2.780 0.002 . 2 . . . . . 35 ASP HB3 . 18600 1 334 . 1 1 35 35 ASP CA C 13 52.828 . . 1 . . . . . 35 ASP CA . 18600 1 335 . 1 1 35 35 ASP CB C 13 39.411 0.0 . 1 . . . . . 35 ASP CB . 18600 1 336 . 1 1 36 36 GLN HA H 1 4.334 0.003 . 1 . . . . . 36 GLN HA . 18600 1 337 . 1 1 36 36 GLN HB2 H 1 1.751 0.004 . 2 . . . . . 36 GLN HB2 . 18600 1 338 . 1 1 36 36 GLN HB3 H 1 2.300 0.003 . 2 . . . . . 36 GLN HB3 . 18600 1 339 . 1 1 36 36 GLN HG2 H 1 2.224 0.002 . 2 . . . . . 36 GLN HG2 . 18600 1 340 . 1 1 36 36 GLN HG3 H 1 2.385 0.002 . 2 . . . . . 36 GLN HG3 . 18600 1 341 . 1 1 36 36 GLN CA C 13 56.302 0.0 . 1 . . . . . 36 GLN CA . 18600 1 342 . 1 1 36 36 GLN CB C 13 32.187 0.0 . 1 . . . . . 36 GLN CB . 18600 1 343 . 1 1 36 36 GLN CG C 13 34.528 0.002 . 1 . . . . . 36 GLN CG . 18600 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Entry_ID 18600 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC/HMQC' 1 $13C_15N isotropic 18600 2 2 '2D 1H-13C HSQC/HMQC' 1 $13C_15N isotropic 18600 2 3 '3D HNCO' 1 $13C_15N isotropic 18600 2 4 'HNcaCo (HNcaCO)' 1 $13C_15N isotropic 18600 2 5 'HNcoCaCb (H[N[co[{CA|ca[C]}]]])' 1 $13C_15N isotropic 18600 2 6 '3D HNCACB' 1 $13C_15N isotropic 18600 2 7 '2D 1H-1H NOESY' 1 $13C_15N isotropic 18600 2 8 '2D 1H-1H TOCSY' 1 $13C_15N isotropic 18600 2 9 'HccoNH (HccoNH)' 1 $13C_15N isotropic 18600 2 10 '3D C(CO)NH' 1 $13C_15N isotropic 18600 2 11 '2D 1H-15N HSQC/HMQC' 1 $13C_15N isotropic 18600 2 12 '3D 1H-15N NOESY' 1 $13C_15N isotropic 18600 2 13 '3D 1H-13C NOESY' 1 $13C_15N isotropic 18600 2 14 '3D 1H-13C NOESY' 1 $13C_15N isotropic 18600 2 15 '3D HCACO' 2 $13C_15N-D2O isotropic 18600 2 17 '3D 1H-13C NOESY' 2 $13C_15N-D2O isotropic 18600 2 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 GLY HA2 H 1 4.004 0.004 . 1 . . . . . 1 GLY HA2 . 18600 2 2 . 1 1 1 1 GLY HA3 H 1 4.004 0.004 . 1 . . . . . 1 GLY HA3 . 18600 2 3 . 1 1 1 1 GLY C C 13 170.304 . . 1 . . . . . 1 GLY C . 18600 2 4 . 1 1 1 1 GLY CA C 13 43.522 0.073 . 1 . . . . . 1 GLY CA . 18600 2 5 . 1 1 2 2 THR H H 1 8.617 0.005 . 1 . . . . . 2 THR H . 18600 2 6 . 1 1 2 2 THR HA H 1 4.431 0.005 . 1 . . . . . 2 THR HA . 18600 2 7 . 1 1 2 2 THR HB H 1 4.232 0.015 . 1 . . . . . 2 THR HB . 18600 2 8 . 1 1 2 2 THR HG21 H 1 1.252 0.004 . 1 . . . . . 2 THR HG21 . 18600 2 9 . 1 1 2 2 THR HG22 H 1 1.252 0.004 . 1 . . . . . 2 THR HG22 . 18600 2 10 . 1 1 2 2 THR HG23 H 1 1.252 0.004 . 1 . . . . . 2 THR HG23 . 18600 2 11 . 1 1 2 2 THR C C 13 174.190 0.023 . 1 . . . . . 2 THR C . 18600 2 12 . 1 1 2 2 THR CA C 13 62.363 0.095 . 1 . . . . . 2 THR CA . 18600 2 13 . 1 1 2 2 THR CB C 13 69.878 0.032 . 1 . . . . . 2 THR CB . 18600 2 14 . 1 1 2 2 THR CG2 C 13 21.822 0.062 . 1 . . . . . 2 THR CG2 . 18600 2 15 . 1 1 2 2 THR N N 15 114.479 0.023 . 1 . . . . . 2 THR N . 18600 2 16 . 1 1 3 3 TYR H H 1 8.466 0.004 . 1 . . . . . 3 TYR H . 18600 2 17 . 1 1 3 3 TYR HA H 1 4.800 0.005 . 1 . . . . . 3 TYR HA . 18600 2 18 . 1 1 3 3 TYR HB2 H 1 3.111 0.007 . 2 . . . . . 3 TYR HB2 . 18600 2 19 . 1 1 3 3 TYR HB3 H 1 3.160 0.002 . 2 . . . . . 3 TYR HB3 . 18600 2 20 . 1 1 3 3 TYR HD1 H 1 7.183 0.004 . 3 . . . . . 3 TYR HD1 . 18600 2 21 . 1 1 3 3 TYR HD2 H 1 7.183 0.004 . 3 . . . . . 3 TYR HD2 . 18600 2 22 . 1 1 3 3 TYR HE1 H 1 6.811 0.007 . 3 . . . . . 3 TYR HE1 . 18600 2 23 . 1 1 3 3 TYR HE2 H 1 6.811 0.007 . 3 . . . . . 3 TYR HE2 . 18600 2 24 . 1 1 3 3 TYR C C 13 174.368 0.014 . 1 . . . . . 3 TYR C . 18600 2 25 . 1 1 3 3 TYR CA C 13 58.215 0.058 . 1 . . . . . 3 TYR CA . 18600 2 26 . 1 1 3 3 TYR CB C 13 39.278 0.076 . 1 . . . . . 3 TYR CB . 18600 2 27 . 1 1 3 3 TYR CD1 C 13 133.125 . . 3 . . . . . 3 TYR CD1 . 18600 2 28 . 1 1 3 3 TYR CD2 C 13 133.125 . . 3 . . . . . 3 TYR CD2 . 18600 2 29 . 1 1 3 3 TYR CE1 C 13 118.342 . . 3 . . . . . 3 TYR CE1 . 18600 2 30 . 1 1 3 3 TYR CE2 C 13 118.342 . . 3 . . . . . 3 TYR CE2 . 18600 2 31 . 1 1 3 3 TYR N N 15 122.873 0.043 . 1 . . . . . 3 TYR N . 18600 2 32 . 1 1 4 4 CYS H H 1 7.736 0.005 . 1 . . . . . 4 CYS H . 18600 2 33 . 1 1 4 4 CYS HA H 1 4.865 0.002 . 1 . . . . . 4 CYS HA . 18600 2 34 . 1 1 4 4 CYS HB2 H 1 3.048 0.006 . 1 . . . . . 4 CYS HB2 . 18600 2 35 . 1 1 4 4 CYS HB3 H 1 3.048 0.006 . 1 . . . . . 4 CYS HB3 . 18600 2 36 . 1 1 4 4 CYS C C 13 172.238 0.015 . 1 . . . . . 4 CYS C . 18600 2 37 . 1 1 4 4 CYS CA C 13 53.530 0.035 . 1 . . . . . 4 CYS CA . 18600 2 38 . 1 1 4 4 CYS CB C 13 42.272 0.034 . 1 . . . . . 4 CYS CB . 18600 2 39 . 1 1 4 4 CYS N N 15 119.068 0.05 . 1 . . . . . 4 CYS N . 18600 2 40 . 1 1 5 5 ILE H H 1 9.027 0.007 . 1 . . . . . 5 ILE H . 18600 2 41 . 1 1 5 5 ILE HA H 1 3.985 0.006 . 1 . . . . . 5 ILE HA . 18600 2 42 . 1 1 5 5 ILE HB H 1 1.805 0.004 . 1 . . . . . 5 ILE HB . 18600 2 43 . 1 1 5 5 ILE HG12 H 1 1.026 0.006 . 2 . . . . . 5 ILE HG12 . 18600 2 44 . 1 1 5 5 ILE HG13 H 1 1.655 0.002 . 2 . . . . . 5 ILE HG13 . 18600 2 45 . 1 1 5 5 ILE HG21 H 1 1.347 0.004 . 1 . . . . . 5 ILE HG21 . 18600 2 46 . 1 1 5 5 ILE HG22 H 1 1.347 0.004 . 1 . . . . . 5 ILE HG22 . 18600 2 47 . 1 1 5 5 ILE HG23 H 1 1.347 0.004 . 1 . . . . . 5 ILE HG23 . 18600 2 48 . 1 1 5 5 ILE HD11 H 1 0.883 0.008 . 1 . . . . . 5 ILE HD11 . 18600 2 49 . 1 1 5 5 ILE HD12 H 1 0.883 0.008 . 1 . . . . . 5 ILE HD12 . 18600 2 50 . 1 1 5 5 ILE HD13 H 1 0.883 0.008 . 1 . . . . . 5 ILE HD13 . 18600 2 51 . 1 1 5 5 ILE C C 13 175.022 0.008 . 1 . . . . . 5 ILE C . 18600 2 52 . 1 1 5 5 ILE CA C 13 63.098 0.071 . 1 . . . . . 5 ILE CA . 18600 2 53 . 1 1 5 5 ILE CB C 13 39.252 0.048 . 1 . . . . . 5 ILE CB . 18600 2 54 . 1 1 5 5 ILE CG1 C 13 27.802 0.025 . 1 . . . . . 5 ILE CG1 . 18600 2 55 . 1 1 5 5 ILE CG2 C 13 20.215 0.081 . 1 . . . . . 5 ILE CG2 . 18600 2 56 . 1 1 5 5 ILE CD1 C 13 15.124 0.005 . 1 . . . . . 5 ILE CD1 . 18600 2 57 . 1 1 5 5 ILE N N 15 121.287 0.059 . 1 . . . . . 5 ILE N . 18600 2 58 . 1 1 6 6 GLU H H 1 8.721 0.003 . 1 . . . . . 6 GLU H . 18600 2 59 . 1 1 6 6 GLU HA H 1 4.203 0.004 . 1 . . . . . 6 GLU HA . 18600 2 60 . 1 1 6 6 GLU HB2 H 1 2.337 0.004 . 2 . . . . . 6 GLU HB2 . 18600 2 61 . 1 1 6 6 GLU HB3 H 1 2.145 0.005 . 2 . . . . . 6 GLU HB3 . 18600 2 62 . 1 1 6 6 GLU HG2 H 1 2.624 0.005 . 2 . . . . . 6 GLU HG2 . 18600 2 63 . 1 1 6 6 GLU HG3 H 1 2.542 0.004 . 2 . . . . . 6 GLU HG3 . 18600 2 64 . 1 1 6 6 GLU C C 13 174.856 0.022 . 1 . . . . . 6 GLU C . 18600 2 65 . 1 1 6 6 GLU CA C 13 56.906 0.064 . 1 . . . . . 6 GLU CA . 18600 2 66 . 1 1 6 6 GLU CB C 13 31.235 0.038 . 1 . . . . . 6 GLU CB . 18600 2 67 . 1 1 6 6 GLU CG C 13 36.658 0.091 . 1 . . . . . 6 GLU CG . 18600 2 68 . 1 1 6 6 GLU CD C 13 181.918 0.029 . 1 . . . . . 6 GLU CD . 18600 2 69 . 1 1 6 6 GLU N N 15 128.487 0.051 . 1 . . . . . 6 GLU N . 18600 2 70 . 1 1 7 7 LEU H H 1 8.207 0.003 . 1 . . . . . 7 LEU H . 18600 2 71 . 1 1 7 7 LEU HA H 1 3.860 0.004 . 1 . . . . . 7 LEU HA . 18600 2 72 . 1 1 7 7 LEU HB2 H 1 1.557 0.006 . 2 . . . . . 7 LEU HB2 . 18600 2 73 . 1 1 7 7 LEU HB3 H 1 1.637 0.003 . 2 . . . . . 7 LEU HB3 . 18600 2 74 . 1 1 7 7 LEU HG H 1 1.572 0.001 . 1 . . . . . 7 LEU HG . 18600 2 75 . 1 1 7 7 LEU HD11 H 1 0.651 0.004 . 2 . . . . . 7 LEU HD11 . 18600 2 76 . 1 1 7 7 LEU HD12 H 1 0.651 0.004 . 2 . . . . . 7 LEU HD12 . 18600 2 77 . 1 1 7 7 LEU HD13 H 1 0.651 0.004 . 2 . . . . . 7 LEU HD13 . 18600 2 78 . 1 1 7 7 LEU HD21 H 1 0.594 0.004 . 2 . . . . . 7 LEU HD21 . 18600 2 79 . 1 1 7 7 LEU HD22 H 1 0.594 0.004 . 2 . . . . . 7 LEU HD22 . 18600 2 80 . 1 1 7 7 LEU HD23 H 1 0.594 0.004 . 2 . . . . . 7 LEU HD23 . 18600 2 81 . 1 1 7 7 LEU C C 13 178.447 0.016 . 1 . . . . . 7 LEU C . 18600 2 82 . 1 1 7 7 LEU CA C 13 56.608 0.022 . 1 . . . . . 7 LEU CA . 18600 2 83 . 1 1 7 7 LEU CB C 13 42.646 0.061 . 1 . . . . . 7 LEU CB . 18600 2 84 . 1 1 7 7 LEU CG C 13 26.529 0.055 . 1 . . . . . 7 LEU CG . 18600 2 85 . 1 1 7 7 LEU CD1 C 13 25.235 0.052 . 2 . . . . . 7 LEU CD1 . 18600 2 86 . 1 1 7 7 LEU CD2 C 13 24.486 0.085 . 2 . . . . . 7 LEU CD2 . 18600 2 87 . 1 1 7 7 LEU N N 15 119.606 0.064 . 1 . . . . . 7 LEU N . 18600 2 88 . 1 1 8 8 GLY H H 1 9.393 0.003 . 1 . . . . . 8 GLY H . 18600 2 89 . 1 1 8 8 GLY HA2 H 1 3.818 0.003 . 2 . . . . . 8 GLY HA2 . 18600 2 90 . 1 1 8 8 GLY HA3 H 1 4.434 0.006 . 2 . . . . . 8 GLY HA3 . 18600 2 91 . 1 1 8 8 GLY C C 13 174.195 0.01 . 1 . . . . . 8 GLY C . 18600 2 92 . 1 1 8 8 GLY CA C 13 45.294 0.045 . 1 . . . . . 8 GLY CA . 18600 2 93 . 1 1 8 8 GLY N N 15 112.709 0.058 . 1 . . . . . 8 GLY N . 18600 2 94 . 1 1 9 9 GLU H H 1 7.685 0.002 . 1 . . . . . 9 GLU H . 18600 2 95 . 1 1 9 9 GLU HA H 1 4.739 0.007 . 1 . . . . . 9 GLU HA . 18600 2 96 . 1 1 9 9 GLU HB2 H 1 2.317 0.004 . 2 . . . . . 9 GLU HB2 . 18600 2 97 . 1 1 9 9 GLU HB3 H 1 2.369 0.002 . 2 . . . . . 9 GLU HB3 . 18600 2 98 . 1 1 9 9 GLU HG2 H 1 2.229 0.005 . 2 . . . . . 9 GLU HG2 . 18600 2 99 . 1 1 9 9 GLU HG3 H 1 2.558 0.005 . 2 . . . . . 9 GLU HG3 . 18600 2 100 . 1 1 9 9 GLU C C 13 175.679 0.024 . 1 . . . . . 9 GLU C . 18600 2 101 . 1 1 9 9 GLU CA C 13 54.861 0.025 . 1 . . . . . 9 GLU CA . 18600 2 102 . 1 1 9 9 GLU CB C 13 30.933 0.042 . 1 . . . . . 9 GLU CB . 18600 2 103 . 1 1 9 9 GLU CG C 13 36.648 0.059 . 1 . . . . . 9 GLU CG . 18600 2 104 . 1 1 9 9 GLU CD C 13 184.243 0.006 . 1 . . . . . 9 GLU CD . 18600 2 105 . 1 1 9 9 GLU N N 15 119.191 0.044 . 1 . . . . . 9 GLU N . 18600 2 106 . 1 1 10 10 ARG H H 1 8.655 0.002 . 1 . . . . . 10 ARG H . 18600 2 107 . 1 1 10 10 ARG HA H 1 4.514 0.007 . 1 . . . . . 10 ARG HA . 18600 2 108 . 1 1 10 10 ARG HB2 H 1 1.865 0.003 . 1 . . . . . 10 ARG HB2 . 18600 2 109 . 1 1 10 10 ARG HB3 H 1 1.865 0.003 . 1 . . . . . 10 ARG HB3 . 18600 2 110 . 1 1 10 10 ARG HG2 H 1 1.557 0.003 . 2 . . . . . 10 ARG HG2 . 18600 2 111 . 1 1 10 10 ARG HG3 H 1 1.865 0.003 . 2 . . . . . 10 ARG HG3 . 18600 2 112 . 1 1 10 10 ARG HD2 H 1 3.161 0.011 . 2 . . . . . 10 ARG HD2 . 18600 2 113 . 1 1 10 10 ARG HD3 H 1 3.197 0.002 . 2 . . . . . 10 ARG HD3 . 18600 2 114 . 1 1 10 10 ARG C C 13 175.214 0.029 . 1 . . . . . 10 ARG C . 18600 2 115 . 1 1 10 10 ARG CA C 13 56.165 0.049 . 1 . . . . . 10 ARG CA . 18600 2 116 . 1 1 10 10 ARG CB C 13 31.192 0.04 . 1 . . . . . 10 ARG CB . 18600 2 117 . 1 1 10 10 ARG CG C 13 27.624 0.02 . 1 . . . . . 10 ARG CG . 18600 2 118 . 1 1 10 10 ARG CD C 13 43.454 0.009 . 1 . . . . . 10 ARG CD . 18600 2 119 . 1 1 10 10 ARG N N 15 119.620 0.047 . 1 . . . . . 10 ARG N . 18600 2 120 . 1 1 11 11 CYS H H 1 8.089 0.003 . 1 . . . . . 11 CYS H . 18600 2 121 . 1 1 11 11 CYS HA H 1 5.110 0.007 . 1 . . . . . 11 CYS HA . 18600 2 122 . 1 1 11 11 CYS HB2 H 1 3.061 0.004 . 2 . . . . . 11 CYS HB2 . 18600 2 123 . 1 1 11 11 CYS HB3 H 1 3.549 0.004 . 2 . . . . . 11 CYS HB3 . 18600 2 124 . 1 1 11 11 CYS C C 13 171.071 0.029 . 1 . . . . . 11 CYS C . 18600 2 125 . 1 1 11 11 CYS CA C 13 51.355 0.003 . 1 . . . . . 11 CYS CA . 18600 2 126 . 1 1 11 11 CYS CB C 13 48.335 0.052 . 1 . . . . . 11 CYS CB . 18600 2 127 . 1 1 11 11 CYS N N 15 116.069 0.041 . 1 . . . . . 11 CYS N . 18600 2 128 . 1 1 12 12 PRO HA H 1 4.345 0.012 . 1 . . . . . 12 PRO HA . 18600 2 129 . 1 1 12 12 PRO HB2 H 1 1.700 0.005 . 1 . . . . . 12 PRO HB2 . 18600 2 130 . 1 1 12 12 PRO HB3 H 1 1.700 0.005 . 1 . . . . . 12 PRO HB3 . 18600 2 131 . 1 1 12 12 PRO HG2 H 1 1.576 0.002 . 1 . . . . . 12 PRO HG2 . 18600 2 132 . 1 1 12 12 PRO HG3 H 1 1.576 0.002 . 1 . . . . . 12 PRO HG3 . 18600 2 133 . 1 1 12 12 PRO HD2 H 1 3.465 0.007 . 1 . . . . . 12 PRO HD2 . 18600 2 134 . 1 1 12 12 PRO HD3 H 1 3.465 0.007 . 1 . . . . . 12 PRO HD3 . 18600 2 135 . 1 1 12 12 PRO C C 13 174.176 0.021 . 1 . . . . . 12 PRO C . 18600 2 136 . 1 1 12 12 PRO CA C 13 61.297 0.048 . 1 . . . . . 12 PRO CA . 18600 2 137 . 1 1 12 12 PRO CB C 13 31.574 0.053 . 1 . . . . . 12 PRO CB . 18600 2 138 . 1 1 12 12 PRO CG C 13 26.742 . . 1 . . . . . 12 PRO CG . 18600 2 139 . 1 1 12 12 PRO CD C 13 49.496 0.026 . 1 . . . . . 12 PRO CD . 18600 2 140 . 1 1 13 13 ASN H H 1 8.003 0.004 . 1 . . . . . 13 ASN H . 18600 2 141 . 1 1 13 13 ASN HA H 1 2.803 0.007 . 1 . . . . . 13 ASN HA . 18600 2 142 . 1 1 13 13 ASN HB2 H 1 2.610 0.004 . 2 . . . . . 13 ASN HB2 . 18600 2 143 . 1 1 13 13 ASN HB3 H 1 2.759 0.011 . 2 . . . . . 13 ASN HB3 . 18600 2 144 . 1 1 13 13 ASN HD21 H 1 7.076 0.006 . 1 . . . . . 13 ASN HD21 . 18600 2 145 . 1 1 13 13 ASN HD22 H 1 8.073 0.007 . 1 . . . . . 13 ASN HD22 . 18600 2 146 . 1 1 13 13 ASN C C 13 176.539 0.073 . 1 . . . . . 13 ASN C . 18600 2 147 . 1 1 13 13 ASN CA C 13 50.780 0.012 . 1 . . . . . 13 ASN CA . 18600 2 148 . 1 1 13 13 ASN CB C 13 38.760 0.034 . 1 . . . . . 13 ASN CB . 18600 2 149 . 1 1 13 13 ASN CG C 13 176.542 0.001 . 1 . . . . . 13 ASN CG . 18600 2 150 . 1 1 13 13 ASN N N 15 117.280 0.062 . 1 . . . . . 13 ASN N . 18600 2 151 . 1 1 13 13 ASN ND2 N 15 113.718 0.09 . 1 . . . . . 13 ASN ND2 . 18600 2 152 . 1 1 14 14 PRO HA H 1 4.533 0.01 . 1 . . . . . 14 PRO HA . 18600 2 153 . 1 1 14 14 PRO HB2 H 1 1.922 0.011 . 2 . . . . . 14 PRO HB2 . 18600 2 154 . 1 1 14 14 PRO HB3 H 1 2.207 0.004 . 2 . . . . . 14 PRO HB3 . 18600 2 155 . 1 1 14 14 PRO HG2 H 1 1.847 0.003 . 2 . . . . . 14 PRO HG2 . 18600 2 156 . 1 1 14 14 PRO HG3 H 1 1.789 0.003 . 2 . . . . . 14 PRO HG3 . 18600 2 157 . 1 1 14 14 PRO HD2 H 1 2.839 0.005 . 2 . . . . . 14 PRO HD2 . 18600 2 158 . 1 1 14 14 PRO HD3 H 1 2.972 0.005 . 2 . . . . . 14 PRO HD3 . 18600 2 159 . 1 1 14 14 PRO C C 13 178.079 0.007 . 1 . . . . . 14 PRO C . 18600 2 160 . 1 1 14 14 PRO CA C 13 63.856 0.02 . 1 . . . . . 14 PRO CA . 18600 2 161 . 1 1 14 14 PRO CB C 13 31.098 0.078 . 1 . . . . . 14 PRO CB . 18600 2 162 . 1 1 14 14 PRO CG C 13 26.226 0.021 . 1 . . . . . 14 PRO CG . 18600 2 163 . 1 1 14 14 PRO CD C 13 51.625 0.029 . 1 . . . . . 14 PRO CD . 18600 2 164 . 1 1 15 15 ARG H H 1 8.262 0.003 . 1 . . . . . 15 ARG H . 18600 2 165 . 1 1 15 15 ARG HA H 1 4.191 0.003 . 1 . . . . . 15 ARG HA . 18600 2 166 . 1 1 15 15 ARG HB2 H 1 1.906 0.003 . 2 . . . . . 15 ARG HB2 . 18600 2 167 . 1 1 15 15 ARG HB3 H 1 1.761 0.003 . 2 . . . . . 15 ARG HB3 . 18600 2 168 . 1 1 15 15 ARG HG2 H 1 1.708 0.003 . 2 . . . . . 15 ARG HG2 . 18600 2 169 . 1 1 15 15 ARG HG3 H 1 1.603 0.001 . 2 . . . . . 15 ARG HG3 . 18600 2 170 . 1 1 15 15 ARG HD2 H 1 3.262 0.002 . 2 . . . . . 15 ARG HD2 . 18600 2 171 . 1 1 15 15 ARG HD3 H 1 3.302 0.002 . 2 . . . . . 15 ARG HD3 . 18600 2 172 . 1 1 15 15 ARG C C 13 177.765 0.024 . 1 . . . . . 15 ARG C . 18600 2 173 . 1 1 15 15 ARG CA C 13 59.011 0.085 . 1 . . . . . 15 ARG CA . 18600 2 174 . 1 1 15 15 ARG CB C 13 29.621 0.055 . 1 . . . . . 15 ARG CB . 18600 2 175 . 1 1 15 15 ARG CG C 13 27.054 0.027 . 1 . . . . . 15 ARG CG . 18600 2 176 . 1 1 15 15 ARG CD C 13 43.492 0.005 . 1 . . . . . 15 ARG CD . 18600 2 177 . 1 1 15 15 ARG N N 15 123.999 0.042 . 1 . . . . . 15 ARG N . 18600 2 178 . 1 1 16 16 GLU H H 1 7.861 0.008 . 1 . . . . . 16 GLU H . 18600 2 179 . 1 1 16 16 GLU HA H 1 4.552 0.003 . 1 . . . . . 16 GLU HA . 18600 2 180 . 1 1 16 16 GLU HB2 H 1 2.123 0.003 . 2 . . . . . 16 GLU HB2 . 18600 2 181 . 1 1 16 16 GLU HB3 H 1 2.544 0.004 . 2 . . . . . 16 GLU HB3 . 18600 2 182 . 1 1 16 16 GLU HG2 H 1 2.334 0.004 . 1 . . . . . 16 GLU HG2 . 18600 2 183 . 1 1 16 16 GLU HG3 H 1 2.334 0.004 . 1 . . . . . 16 GLU HG3 . 18600 2 184 . 1 1 16 16 GLU C C 13 175.745 0.02 . 1 . . . . . 16 GLU C . 18600 2 185 . 1 1 16 16 GLU CA C 13 55.920 0.069 . 1 . . . . . 16 GLU CA . 18600 2 186 . 1 1 16 16 GLU CB C 13 29.876 0.063 . 1 . . . . . 16 GLU CB . 18600 2 187 . 1 1 16 16 GLU CG C 13 37.111 0.01 . 1 . . . . . 16 GLU CG . 18600 2 188 . 1 1 16 16 GLU CD C 13 183.688 . . 1 . . . . . 16 GLU CD . 18600 2 189 . 1 1 16 16 GLU N N 15 115.988 0.061 . 1 . . . . . 16 GLU N . 18600 2 190 . 1 1 17 17 GLY H H 1 7.428 0.003 . 1 . . . . . 17 GLY H . 18600 2 191 . 1 1 17 17 GLY HA2 H 1 4.157 0.007 . 2 . . . . . 17 GLY HA2 . 18600 2 192 . 1 1 17 17 GLY HA3 H 1 3.464 0.007 . 2 . . . . . 17 GLY HA3 . 18600 2 193 . 1 1 17 17 GLY C C 13 171.756 0.046 . 1 . . . . . 17 GLY C . 18600 2 194 . 1 1 17 17 GLY CA C 13 44.176 0.066 . 1 . . . . . 17 GLY CA . 18600 2 195 . 1 1 17 17 GLY N N 15 109.787 0.049 . 1 . . . . . 17 GLY N . 18600 2 196 . 1 1 18 18 ASP H H 1 8.335 0.004 . 1 . . . . . 18 ASP H . 18600 2 197 . 1 1 18 18 ASP HA H 1 4.924 0.011 . 1 . . . . . 18 ASP HA . 18600 2 198 . 1 1 18 18 ASP HB2 H 1 2.415 0.006 . 2 . . . . . 18 ASP HB2 . 18600 2 199 . 1 1 18 18 ASP HB3 H 1 3.076 0.01 . 2 . . . . . 18 ASP HB3 . 18600 2 200 . 1 1 18 18 ASP C C 13 176.862 0.028 . 1 . . . . . 18 ASP C . 18600 2 201 . 1 1 18 18 ASP CA C 13 53.188 0.06 . 1 . . . . . 18 ASP CA . 18600 2 202 . 1 1 18 18 ASP CB C 13 42.005 0.051 . 1 . . . . . 18 ASP CB . 18600 2 203 . 1 1 18 18 ASP CG C 13 179.431 0.006 . 1 . . . . . 18 ASP CG . 18600 2 204 . 1 1 18 18 ASP N N 15 123.198 0.04 . 1 . . . . . 18 ASP N . 18600 2 205 . 1 1 19 19 TRP H H 1 8.537 0.004 . 1 . . . . . 19 TRP H . 18600 2 206 . 1 1 19 19 TRP HA H 1 4.624 0.011 . 1 . . . . . 19 TRP HA . 18600 2 207 . 1 1 19 19 TRP HB2 H 1 2.719 0.004 . 2 . . . . . 19 TRP HB2 . 18600 2 208 . 1 1 19 19 TRP HB3 H 1 3.702 0.006 . 2 . . . . . 19 TRP HB3 . 18600 2 209 . 1 1 19 19 TRP HD1 H 1 7.274 0.002 . 1 . . . . . 19 TRP HD1 . 18600 2 210 . 1 1 19 19 TRP HE1 H 1 10.187 0.01 . 1 . . . . . 19 TRP HE1 . 18600 2 211 . 1 1 19 19 TRP HE3 H 1 7.587 0.006 . 1 . . . . . 19 TRP HE3 . 18600 2 212 . 1 1 19 19 TRP HZ2 H 1 7.340 0.011 . 1 . . . . . 19 TRP HZ2 . 18600 2 213 . 1 1 19 19 TRP HZ3 H 1 7.013 0.005 . 1 . . . . . 19 TRP HZ3 . 18600 2 214 . 1 1 19 19 TRP HH2 H 1 7.061 0.004 . 1 . . . . . 19 TRP HH2 . 18600 2 215 . 1 1 19 19 TRP C C 13 177.202 0.023 . 1 . . . . . 19 TRP C . 18600 2 216 . 1 1 19 19 TRP CA C 13 58.096 0.078 . 1 . . . . . 19 TRP CA . 18600 2 217 . 1 1 19 19 TRP CB C 13 30.275 0.056 . 1 . . . . . 19 TRP CB . 18600 2 218 . 1 1 19 19 TRP CD1 C 13 127.018 . . 1 . . . . . 19 TRP CD1 . 18600 2 219 . 1 1 19 19 TRP CE3 C 13 120.857 . . 1 . . . . . 19 TRP CE3 . 18600 2 220 . 1 1 19 19 TRP CZ2 C 13 113.988 . . 1 . . . . . 19 TRP CZ2 . 18600 2 221 . 1 1 19 19 TRP CZ3 C 13 121.757 . . 1 . . . . . 19 TRP CZ3 . 18600 2 222 . 1 1 19 19 TRP CH2 C 13 124.042 . . 1 . . . . . 19 TRP CH2 . 18600 2 223 . 1 1 19 19 TRP N N 15 127.224 0.057 . 1 . . . . . 19 TRP N . 18600 2 224 . 1 1 19 19 TRP NE1 N 15 128.872 . . 1 . . . . . 19 TRP NE1 . 18600 2 225 . 1 1 20 20 CYS H H 1 9.424 0.005 . 1 . . . . . 20 CYS H . 18600 2 226 . 1 1 20 20 CYS HA H 1 4.844 0.006 . 1 . . . . . 20 CYS HA . 18600 2 227 . 1 1 20 20 CYS HB2 H 1 2.940 0.004 . 2 . . . . . 20 CYS HB2 . 18600 2 228 . 1 1 20 20 CYS HB3 H 1 3.144 0.006 . 2 . . . . . 20 CYS HB3 . 18600 2 229 . 1 1 20 20 CYS C C 13 175.412 0.032 . 1 . . . . . 20 CYS C . 18600 2 230 . 1 1 20 20 CYS CA C 13 57.220 0.047 . 1 . . . . . 20 CYS CA . 18600 2 231 . 1 1 20 20 CYS CB C 13 37.817 0.052 . 1 . . . . . 20 CYS CB . 18600 2 232 . 1 1 20 20 CYS N N 15 120.139 0.08 . 1 . . . . . 20 CYS N . 18600 2 233 . 1 1 21 21 CYS H H 1 9.604 0.005 . 1 . . . . . 21 CYS H . 18600 2 234 . 1 1 21 21 CYS HA H 1 4.488 0.002 . 1 . . . . . 21 CYS HA . 18600 2 235 . 1 1 21 21 CYS HB2 H 1 3.055 0.005 . 2 . . . . . 21 CYS HB2 . 18600 2 236 . 1 1 21 21 CYS HB3 H 1 2.868 0.005 . 2 . . . . . 21 CYS HB3 . 18600 2 237 . 1 1 21 21 CYS C C 13 175.930 0.045 . 1 . . . . . 21 CYS C . 18600 2 238 . 1 1 21 21 CYS CA C 13 56.705 0.051 . 1 . . . . . 21 CYS CA . 18600 2 239 . 1 1 21 21 CYS CB C 13 38.303 0.074 . 1 . . . . . 21 CYS CB . 18600 2 240 . 1 1 21 21 CYS N N 15 122.463 0.054 . 1 . . . . . 21 CYS N . 18600 2 241 . 1 1 22 22 HIS H H 1 8.828 0.005 . 1 . . . . . 22 HIS H . 18600 2 242 . 1 1 22 22 HIS HA H 1 4.569 0.004 . 1 . . . . . 22 HIS HA . 18600 2 243 . 1 1 22 22 HIS HB2 H 1 3.532 0.006 . 2 . . . . . 22 HIS HB2 . 18600 2 244 . 1 1 22 22 HIS HB3 H 1 2.658 0.006 . 2 . . . . . 22 HIS HB3 . 18600 2 245 . 1 1 22 22 HIS HD2 H 1 7.076 0.006 . 1 . . . . . 22 HIS HD2 . 18600 2 246 . 1 1 22 22 HIS HE1 H 1 7.845 0.006 . 1 . . . . . 22 HIS HE1 . 18600 2 247 . 1 1 22 22 HIS C C 13 173.150 0.02 . 1 . . . . . 22 HIS C . 18600 2 248 . 1 1 22 22 HIS CA C 13 57.619 0.05 . 1 . . . . . 22 HIS CA . 18600 2 249 . 1 1 22 22 HIS CB C 13 29.271 0.06 . 1 . . . . . 22 HIS CB . 18600 2 250 . 1 1 22 22 HIS CD2 C 13 116.920 . . 1 . . . . . 22 HIS CD2 . 18600 2 251 . 1 1 22 22 HIS CE1 C 13 137.984 . . 1 . . . . . 22 HIS CE1 . 18600 2 252 . 1 1 22 22 HIS N N 15 122.139 0.065 . 1 . . . . . 22 HIS N . 18600 2 253 . 1 1 23 23 LYS H H 1 8.197 0.002 . 1 . . . . . 23 LYS H . 18600 2 254 . 1 1 23 23 LYS HA H 1 5.015 0.005 . 1 . . . . . 23 LYS HA . 18600 2 255 . 1 1 23 23 LYS HB2 H 1 1.888 0.002 . 2 . . . . . 23 LYS HB2 . 18600 2 256 . 1 1 23 23 LYS HB3 H 1 1.839 0.004 . 2 . . . . . 23 LYS HB3 . 18600 2 257 . 1 1 23 23 LYS HG2 H 1 1.414 0.004 . 2 . . . . . 23 LYS HG2 . 18600 2 258 . 1 1 23 23 LYS HG3 H 1 1.545 0.003 . 2 . . . . . 23 LYS HG3 . 18600 2 259 . 1 1 23 23 LYS HD2 H 1 1.737 0.003 . 1 . . . . . 23 LYS HD2 . 18600 2 260 . 1 1 23 23 LYS HD3 H 1 1.737 0.003 . 1 . . . . . 23 LYS HD3 . 18600 2 261 . 1 1 23 23 LYS HE2 H 1 3.114 0.005 . 1 . . . . . 23 LYS HE2 . 18600 2 262 . 1 1 23 23 LYS HE3 H 1 3.114 0.005 . 1 . . . . . 23 LYS HE3 . 18600 2 263 . 1 1 23 23 LYS C C 13 173.481 0.029 . 1 . . . . . 23 LYS C . 18600 2 264 . 1 1 23 23 LYS CA C 13 55.176 0.04 . 1 . . . . . 23 LYS CA . 18600 2 265 . 1 1 23 23 LYS CB C 13 36.787 0.041 . 1 . . . . . 23 LYS CB . 18600 2 266 . 1 1 23 23 LYS CG C 13 25.107 0.028 . 1 . . . . . 23 LYS CG . 18600 2 267 . 1 1 23 23 LYS CD C 13 29.396 0.054 . 1 . . . . . 23 LYS CD . 18600 2 268 . 1 1 23 23 LYS CE C 13 42.345 0.067 . 1 . . . . . 23 LYS CE . 18600 2 269 . 1 1 23 23 LYS N N 15 121.766 0.062 . 1 . . . . . 23 LYS N . 18600 2 270 . 1 1 24 24 CYS H H 1 10.485 0.006 . 1 . . . . . 24 CYS H . 18600 2 271 . 1 1 24 24 CYS HA H 1 5.098 0.005 . 1 . . . . . 24 CYS HA . 18600 2 272 . 1 1 24 24 CYS HB2 H 1 2.705 0.002 . 2 . . . . . 24 CYS HB2 . 18600 2 273 . 1 1 24 24 CYS HB3 H 1 3.887 0.005 . 2 . . . . . 24 CYS HB3 . 18600 2 274 . 1 1 24 24 CYS C C 13 174.792 0.016 . 1 . . . . . 24 CYS C . 18600 2 275 . 1 1 24 24 CYS CA C 13 56.421 0.055 . 1 . . . . . 24 CYS CA . 18600 2 276 . 1 1 24 24 CYS CB C 13 38.796 0.026 . 1 . . . . . 24 CYS CB . 18600 2 277 . 1 1 24 24 CYS N N 15 129.392 0.047 . 1 . . . . . 24 CYS N . 18600 2 278 . 1 1 25 25 VAL H H 1 9.506 0.004 . 1 . . . . . 25 VAL H . 18600 2 279 . 1 1 25 25 VAL HA H 1 5.146 0.002 . 1 . . . . . 25 VAL HA . 18600 2 280 . 1 1 25 25 VAL HB H 1 2.395 0.003 . 1 . . . . . 25 VAL HB . 18600 2 281 . 1 1 25 25 VAL HG11 H 1 1.100 0.005 . 2 . . . . . 25 VAL HG11 . 18600 2 282 . 1 1 25 25 VAL HG12 H 1 1.100 0.005 . 2 . . . . . 25 VAL HG12 . 18600 2 283 . 1 1 25 25 VAL HG13 H 1 1.100 0.005 . 2 . . . . . 25 VAL HG13 . 18600 2 284 . 1 1 25 25 VAL HG21 H 1 1.101 0.003 . 2 . . . . . 25 VAL HG21 . 18600 2 285 . 1 1 25 25 VAL HG22 H 1 1.101 0.003 . 2 . . . . . 25 VAL HG22 . 18600 2 286 . 1 1 25 25 VAL HG23 H 1 1.101 0.003 . 2 . . . . . 25 VAL HG23 . 18600 2 287 . 1 1 25 25 VAL C C 13 173.625 0.016 . 1 . . . . . 25 VAL C . 18600 2 288 . 1 1 25 25 VAL CA C 13 58.791 0.027 . 1 . . . . . 25 VAL CA . 18600 2 289 . 1 1 25 25 VAL CB C 13 34.219 0.009 . 1 . . . . . 25 VAL CB . 18600 2 290 . 1 1 25 25 VAL CG1 C 13 20.685 . . 2 . . . . . 25 VAL CG1 . 18600 2 291 . 1 1 25 25 VAL CG2 C 13 21.218 . . 2 . . . . . 25 VAL CG2 . 18600 2 292 . 1 1 25 25 VAL N N 15 127.664 0.054 . 1 . . . . . 25 VAL N . 18600 2 293 . 1 1 26 26 PRO HA H 1 4.592 0.003 . 1 . . . . . 26 PRO HA . 18600 2 294 . 1 1 26 26 PRO HB2 H 1 1.918 0.004 . 2 . . . . . 26 PRO HB2 . 18600 2 295 . 1 1 26 26 PRO HB3 H 1 2.061 0.005 . 2 . . . . . 26 PRO HB3 . 18600 2 296 . 1 1 26 26 PRO HG2 H 1 2.255 0.003 . 2 . . . . . 26 PRO HG2 . 18600 2 297 . 1 1 26 26 PRO HG3 H 1 2.381 0.005 . 2 . . . . . 26 PRO HG3 . 18600 2 298 . 1 1 26 26 PRO HD2 H 1 4.047 0.005 . 2 . . . . . 26 PRO HD2 . 18600 2 299 . 1 1 26 26 PRO HD3 H 1 4.091 0.002 . 2 . . . . . 26 PRO HD3 . 18600 2 300 . 1 1 26 26 PRO C C 13 177.520 0.023 . 1 . . . . . 26 PRO C . 18600 2 301 . 1 1 26 26 PRO CA C 13 62.384 0.015 . 1 . . . . . 26 PRO CA . 18600 2 302 . 1 1 26 26 PRO CB C 13 32.173 0.049 . 1 . . . . . 26 PRO CB . 18600 2 303 . 1 1 26 26 PRO CG C 13 27.430 0.025 . 1 . . . . . 26 PRO CG . 18600 2 304 . 1 1 26 26 PRO CD C 13 51.163 0.018 . 1 . . . . . 26 PRO CD . 18600 2 305 . 1 1 27 27 GLU H H 1 8.530 0.005 . 1 . . . . . 27 GLU H . 18600 2 306 . 1 1 27 27 GLU HA H 1 4.488 0.005 . 1 . . . . . 27 GLU HA . 18600 2 307 . 1 1 27 27 GLU HB2 H 1 2.074 0.008 . 2 . . . . . 27 GLU HB2 . 18600 2 308 . 1 1 27 27 GLU HB3 H 1 1.984 0.005 . 2 . . . . . 27 GLU HB3 . 18600 2 309 . 1 1 27 27 GLU HG2 H 1 2.262 0.002 . 2 . . . . . 27 GLU HG2 . 18600 2 310 . 1 1 27 27 GLU HG3 H 1 2.371 0.004 . 2 . . . . . 27 GLU HG3 . 18600 2 311 . 1 1 27 27 GLU C C 13 176.316 0.028 . 1 . . . . . 27 GLU C . 18600 2 312 . 1 1 27 27 GLU CA C 13 55.848 0.082 . 1 . . . . . 27 GLU CA . 18600 2 313 . 1 1 27 27 GLU CB C 13 31.546 0.016 . 1 . . . . . 27 GLU CB . 18600 2 314 . 1 1 27 27 GLU CG C 13 36.282 0.018 . 1 . . . . . 27 GLU CG . 18600 2 315 . 1 1 27 27 GLU N N 15 124.293 0.034 . 1 . . . . . 27 GLU N . 18600 2 316 . 1 1 28 28 GLY H H 1 8.944 0.006 . 1 . . . . . 28 GLY H . 18600 2 317 . 1 1 28 28 GLY HA2 H 1 3.757 0.006 . 2 . . . . . 28 GLY HA2 . 18600 2 318 . 1 1 28 28 GLY HA3 H 1 4.109 0.006 . 2 . . . . . 28 GLY HA3 . 18600 2 319 . 1 1 28 28 GLY C C 13 175.561 0.021 . 1 . . . . . 28 GLY C . 18600 2 320 . 1 1 28 28 GLY CA C 13 46.949 0.067 . 1 . . . . . 28 GLY CA . 18600 2 321 . 1 1 28 28 GLY N N 15 116.296 0.062 . 1 . . . . . 28 GLY N . 18600 2 322 . 1 1 29 29 LYS H H 1 9.033 0.005 . 1 . . . . . 29 LYS H . 18600 2 323 . 1 1 29 29 LYS HA H 1 4.385 0.004 . 1 . . . . . 29 LYS HA . 18600 2 324 . 1 1 29 29 LYS HB2 H 1 2.171 0.003 . 2 . . . . . 29 LYS HB2 . 18600 2 325 . 1 1 29 29 LYS HB3 H 1 1.815 0.002 . 2 . . . . . 29 LYS HB3 . 18600 2 326 . 1 1 29 29 LYS HG2 H 1 1.568 0.004 . 1 . . . . . 29 LYS HG2 . 18600 2 327 . 1 1 29 29 LYS HG3 H 1 1.568 0.004 . 1 . . . . . 29 LYS HG3 . 18600 2 328 . 1 1 29 29 LYS HD2 H 1 1.774 0.002 . 1 . . . . . 29 LYS HD2 . 18600 2 329 . 1 1 29 29 LYS HD3 H 1 1.774 0.002 . 1 . . . . . 29 LYS HD3 . 18600 2 330 . 1 1 29 29 LYS HE2 H 1 3.109 0.001 . 1 . . . . . 29 LYS HE2 . 18600 2 331 . 1 1 29 29 LYS HE3 H 1 3.109 0.001 . 1 . . . . . 29 LYS HE3 . 18600 2 332 . 1 1 29 29 LYS C C 13 175.607 0.01 . 1 . . . . . 29 LYS C . 18600 2 333 . 1 1 29 29 LYS CA C 13 56.288 0.009 . 1 . . . . . 29 LYS CA . 18600 2 334 . 1 1 29 29 LYS CB C 13 32.341 0.053 . 1 . . . . . 29 LYS CB . 18600 2 335 . 1 1 29 29 LYS CG C 13 25.076 0.052 . 1 . . . . . 29 LYS CG . 18600 2 336 . 1 1 29 29 LYS CD C 13 28.993 0.013 . 1 . . . . . 29 LYS CD . 18600 2 337 . 1 1 29 29 LYS CE C 13 42.258 0.024 . 1 . . . . . 29 LYS CE . 18600 2 338 . 1 1 29 29 LYS N N 15 126.284 0.025 . 1 . . . . . 29 LYS N . 18600 2 339 . 1 1 30 30 ARG H H 1 7.713 0.003 . 1 . . . . . 30 ARG H . 18600 2 340 . 1 1 30 30 ARG HA H 1 4.637 0.002 . 1 . . . . . 30 ARG HA . 18600 2 341 . 1 1 30 30 ARG HB2 H 1 1.877 0.003 . 2 . . . . . 30 ARG HB2 . 18600 2 342 . 1 1 30 30 ARG HB3 H 1 1.988 0.004 . 2 . . . . . 30 ARG HB3 . 18600 2 343 . 1 1 30 30 ARG HG2 H 1 1.772 0.003 . 2 . . . . . 30 ARG HG2 . 18600 2 344 . 1 1 30 30 ARG HG3 H 1 1.727 0.002 . 2 . . . . . 30 ARG HG3 . 18600 2 345 . 1 1 30 30 ARG HD2 H 1 3.281 0.003 . 2 . . . . . 30 ARG HD2 . 18600 2 346 . 1 1 30 30 ARG HD3 H 1 3.358 0.01 . 2 . . . . . 30 ARG HD3 . 18600 2 347 . 1 1 30 30 ARG C C 13 173.379 0.011 . 1 . . . . . 30 ARG C . 18600 2 348 . 1 1 30 30 ARG CA C 13 54.368 0.036 . 1 . . . . . 30 ARG CA . 18600 2 349 . 1 1 30 30 ARG CB C 13 33.975 0.043 . 1 . . . . . 30 ARG CB . 18600 2 350 . 1 1 30 30 ARG CG C 13 27.787 0.014 . 1 . . . . . 30 ARG CG . 18600 2 351 . 1 1 30 30 ARG CD C 13 43.823 0.021 . 1 . . . . . 30 ARG CD . 18600 2 352 . 1 1 30 30 ARG N N 15 119.122 0.062 . 1 . . . . . 30 ARG N . 18600 2 353 . 1 1 31 31 PHE H H 1 7.951 0.004 . 1 . . . . . 31 PHE H . 18600 2 354 . 1 1 31 31 PHE HA H 1 5.348 0.004 . 1 . . . . . 31 PHE HA . 18600 2 355 . 1 1 31 31 PHE HB2 H 1 3.254 0.004 . 2 . . . . . 31 PHE HB2 . 18600 2 356 . 1 1 31 31 PHE HB3 H 1 3.132 0.003 . 2 . . . . . 31 PHE HB3 . 18600 2 357 . 1 1 31 31 PHE HD1 H 1 7.069 0.006 . 3 . . . . . 31 PHE HD1 . 18600 2 358 . 1 1 31 31 PHE HD2 H 1 7.069 0.006 . 3 . . . . . 31 PHE HD2 . 18600 2 359 . 1 1 31 31 PHE HE1 H 1 7.435 0.003 . 3 . . . . . 31 PHE HE1 . 18600 2 360 . 1 1 31 31 PHE HE2 H 1 7.435 0.003 . 3 . . . . . 31 PHE HE2 . 18600 2 361 . 1 1 31 31 PHE HZ H 1 7.333 0.005 . 1 . . . . . 31 PHE HZ . 18600 2 362 . 1 1 31 31 PHE C C 13 175.136 0.019 . 1 . . . . . 31 PHE C . 18600 2 363 . 1 1 31 31 PHE CA C 13 57.202 0.049 . 1 . . . . . 31 PHE CA . 18600 2 364 . 1 1 31 31 PHE CB C 13 42.229 0.034 . 1 . . . . . 31 PHE CB . 18600 2 365 . 1 1 31 31 PHE CD1 C 13 132.148 . . 3 . . . . . 31 PHE CD1 . 18600 2 366 . 1 1 31 31 PHE CD2 C 13 132.148 . . 3 . . . . . 31 PHE CD2 . 18600 2 367 . 1 1 31 31 PHE CE1 C 13 131.099 . . 3 . . . . . 31 PHE CE1 . 18600 2 368 . 1 1 31 31 PHE CE2 C 13 131.099 . . 3 . . . . . 31 PHE CE2 . 18600 2 369 . 1 1 31 31 PHE CZ C 13 129.500 . . 1 . . . . . 31 PHE CZ . 18600 2 370 . 1 1 31 31 PHE N N 15 119.240 0.046 . 1 . . . . . 31 PHE N . 18600 2 371 . 1 1 32 32 TYR H H 1 9.088 0.005 . 1 . . . . . 32 TYR H . 18600 2 372 . 1 1 32 32 TYR HA H 1 5.218 0.007 . 1 . . . . . 32 TYR HA . 18600 2 373 . 1 1 32 32 TYR HB2 H 1 2.718 0.005 . 2 . . . . . 32 TYR HB2 . 18600 2 374 . 1 1 32 32 TYR HB3 H 1 2.558 0.006 . 2 . . . . . 32 TYR HB3 . 18600 2 375 . 1 1 32 32 TYR HD1 H 1 6.955 0.003 . 3 . . . . . 32 TYR HD1 . 18600 2 376 . 1 1 32 32 TYR HD2 H 1 6.955 0.003 . 3 . . . . . 32 TYR HD2 . 18600 2 377 . 1 1 32 32 TYR HE1 H 1 6.852 0.007 . 3 . . . . . 32 TYR HE1 . 18600 2 378 . 1 1 32 32 TYR HE2 H 1 6.852 0.007 . 3 . . . . . 32 TYR HE2 . 18600 2 379 . 1 1 32 32 TYR C C 13 175.786 0.016 . 1 . . . . . 32 TYR C . 18600 2 380 . 1 1 32 32 TYR CA C 13 57.327 0.046 . 1 . . . . . 32 TYR CA . 18600 2 381 . 1 1 32 32 TYR CB C 13 44.394 0.031 . 1 . . . . . 32 TYR CB . 18600 2 382 . 1 1 32 32 TYR CD1 C 13 133.367 . . 3 . . . . . 32 TYR CD1 . 18600 2 383 . 1 1 32 32 TYR CD2 C 13 133.367 . . 3 . . . . . 32 TYR CD2 . 18600 2 384 . 1 1 32 32 TYR CE1 C 13 117.781 0.008 . 3 . . . . . 32 TYR CE1 . 18600 2 385 . 1 1 32 32 TYR CE2 C 13 117.781 0.008 . 3 . . . . . 32 TYR CE2 . 18600 2 386 . 1 1 32 32 TYR N N 15 119.922 0.052 . 1 . . . . . 32 TYR N . 18600 2 387 . 1 1 33 33 CYS H H 1 8.959 0.005 . 1 . . . . . 33 CYS H . 18600 2 388 . 1 1 33 33 CYS HA H 1 5.717 0.007 . 1 . . . . . 33 CYS HA . 18600 2 389 . 1 1 33 33 CYS HB2 H 1 3.963 0.005 . 2 . . . . . 33 CYS HB2 . 18600 2 390 . 1 1 33 33 CYS HB3 H 1 3.104 0.003 . 2 . . . . . 33 CYS HB3 . 18600 2 391 . 1 1 33 33 CYS C C 13 176.054 0.01 . 1 . . . . . 33 CYS C . 18600 2 392 . 1 1 33 33 CYS CA C 13 52.811 0.063 . 1 . . . . . 33 CYS CA . 18600 2 393 . 1 1 33 33 CYS CB C 13 37.448 0.01 . 1 . . . . . 33 CYS CB . 18600 2 394 . 1 1 33 33 CYS N N 15 119.789 0.058 . 1 . . . . . 33 CYS N . 18600 2 395 . 1 1 34 34 ARG H H 1 10.103 0.005 . 1 . . . . . 34 ARG H . 18600 2 396 . 1 1 34 34 ARG HA H 1 4.821 0.004 . 1 . . . . . 34 ARG HA . 18600 2 397 . 1 1 34 34 ARG HB2 H 1 2.000 0.004 . 2 . . . . . 34 ARG HB2 . 18600 2 398 . 1 1 34 34 ARG HB3 H 1 1.825 0.004 . 2 . . . . . 34 ARG HB3 . 18600 2 399 . 1 1 34 34 ARG HG2 H 1 1.765 0.002 . 2 . . . . . 34 ARG HG2 . 18600 2 400 . 1 1 34 34 ARG HG3 H 1 1.691 0.004 . 2 . . . . . 34 ARG HG3 . 18600 2 401 . 1 1 34 34 ARG HD2 H 1 3.042 0.005 . 2 . . . . . 34 ARG HD2 . 18600 2 402 . 1 1 34 34 ARG HD3 H 1 3.611 0.002 . 2 . . . . . 34 ARG HD3 . 18600 2 403 . 1 1 34 34 ARG HE H 1 8.314 0.008 . 1 . . . . . 34 ARG HE . 18600 2 404 . 1 1 34 34 ARG C C 13 174.783 0.033 . 1 . . . . . 34 ARG C . 18600 2 405 . 1 1 34 34 ARG CA C 13 53.275 0.038 . 1 . . . . . 34 ARG CA . 18600 2 406 . 1 1 34 34 ARG CB C 13 35.311 0.019 . 1 . . . . . 34 ARG CB . 18600 2 407 . 1 1 34 34 ARG CG C 13 26.376 0.029 . 1 . . . . . 34 ARG CG . 18600 2 408 . 1 1 34 34 ARG CD C 13 43.260 0.022 . 1 . . . . . 34 ARG CD . 18600 2 409 . 1 1 34 34 ARG CZ C 13 159.365 . . 1 . . . . . 34 ARG CZ . 18600 2 410 . 1 1 34 34 ARG N N 15 124.640 0.045 . 1 . . . . . 34 ARG N . 18600 2 411 . 1 1 34 34 ARG NE N 15 87.052 0.033 . 1 . . . . . 34 ARG NE . 18600 2 412 . 1 1 35 35 ASP H H 1 8.622 0.004 . 1 . . . . . 35 ASP H . 18600 2 413 . 1 1 35 35 ASP HA H 1 4.900 0.006 . 1 . . . . . 35 ASP HA . 18600 2 414 . 1 1 35 35 ASP HB2 H 1 2.296 0.012 . 2 . . . . . 35 ASP HB2 . 18600 2 415 . 1 1 35 35 ASP HB3 H 1 2.763 0.01 . 2 . . . . . 35 ASP HB3 . 18600 2 416 . 1 1 35 35 ASP C C 13 174.928 0.027 . 1 . . . . . 35 ASP C . 18600 2 417 . 1 1 35 35 ASP CA C 13 53.001 0.053 . 1 . . . . . 35 ASP CA . 18600 2 418 . 1 1 35 35 ASP CB C 13 39.585 0.057 . 1 . . . . . 35 ASP CB . 18600 2 419 . 1 1 35 35 ASP CG C 13 179.957 0.013 . 1 . . . . . 35 ASP CG . 18600 2 420 . 1 1 35 35 ASP N N 15 120.369 0.051 . 1 . . . . . 35 ASP N . 18600 2 421 . 1 1 36 36 GLN H H 1 7.539 0.003 . 1 . . . . . 36 GLN H . 18600 2 422 . 1 1 36 36 GLN HA H 1 4.334 0.003 . 1 . . . . . 36 GLN HA . 18600 2 423 . 1 1 36 36 GLN HB2 H 1 1.801 0.012 . 2 . . . . . 36 GLN HB2 . 18600 2 424 . 1 1 36 36 GLN HB3 H 1 2.290 0.002 . 2 . . . . . 36 GLN HB3 . 18600 2 425 . 1 1 36 36 GLN HG2 H 1 2.241 0.002 . 2 . . . . . 36 GLN HG2 . 18600 2 426 . 1 1 36 36 GLN HG3 H 1 2.389 0.003 . 2 . . . . . 36 GLN HG3 . 18600 2 427 . 1 1 36 36 GLN HE21 H 1 6.942 0.009 . 1 . . . . . 36 GLN HE21 . 18600 2 428 . 1 1 36 36 GLN HE22 H 1 7.567 0.003 . 1 . . . . . 36 GLN HE22 . 18600 2 429 . 1 1 36 36 GLN C C 13 179.589 0.055 . 1 . . . . . 36 GLN C . 18600 2 430 . 1 1 36 36 GLN CA C 13 56.370 0.035 . 1 . . . . . 36 GLN CA . 18600 2 431 . 1 1 36 36 GLN CB C 13 32.094 0.044 . 1 . . . . . 36 GLN CB . 18600 2 432 . 1 1 36 36 GLN CG C 13 34.440 0.049 . 1 . . . . . 36 GLN CG . 18600 2 433 . 1 1 36 36 GLN CD C 13 180.580 0.001 . 1 . . . . . 36 GLN CD . 18600 2 434 . 1 1 36 36 GLN N N 15 126.246 0.069 . 1 . . . . . 36 GLN N . 18600 2 435 . 1 1 36 36 GLN NE2 N 15 111.370 0.072 . 1 . . . . . 36 GLN NE2 . 18600 2 stop_ save_