################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31062 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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' . . . 31062 1 2 '2D 1H-15N HSQC' . . . 31062 1 3 '3D 1H-13C NOESY aliphatic' . . . 31062 1 4 '3D 1H-13C NOESY aromatic' . . . 31062 1 5 '3D 1H-15N NOESY' . . . 31062 1 6 '3D C(CO)NH' . . . 31062 1 7 '3D HNCACB' . . . 31062 1 8 '3D H(CCO)NH' . . . 31062 1 9 '3D CBCA(CO)NH' . . . 31062 1 10 '3D HNCO' . . . 31062 1 11 '3D HBHA(CO)NH' . . . 31062 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 SER HA H 1 4.218 0.000 . 1 . . . . A 1 SER HA . 31062 1 2 . 1 . 1 1 1 SER HB2 H 1 4.034 0.000 . 2 . . . . A 1 SER HB2 . 31062 1 3 . 1 . 1 1 1 SER HB3 H 1 3.976 0.000 . 2 . . . . A 1 SER HB3 . 31062 1 4 . 1 . 1 1 1 SER C C 13 170.285 0.000 . 1 . . . . A 1 SER C . 31062 1 5 . 1 . 1 1 1 SER CA C 13 57.352 0.000 . 1 . . . . A 1 SER CA . 31062 1 6 . 1 . 1 1 1 SER CB C 13 63.154 0.000 . 1 . . . . A 1 SER CB . 31062 1 7 . 1 . 1 2 2 CYS H H 1 8.601 0.000 . 1 . . . . A 2 CYS H . 31062 1 8 . 1 . 1 2 2 CYS HA H 1 4.955 0.000 . 1 . . . . A 2 CYS HA . 31062 1 9 . 1 . 1 2 2 CYS HB2 H 1 3.215 0.001 . 2 . . . . A 2 CYS HB2 . 31062 1 10 . 1 . 1 2 2 CYS HB3 H 1 3.127 0.001 . 2 . . . . A 2 CYS HB3 . 31062 1 11 . 1 . 1 2 2 CYS C C 13 173.540 0.000 . 1 . . . . A 2 CYS C . 31062 1 12 . 1 . 1 2 2 CYS CA C 13 54.778 0.000 . 1 . . . . A 2 CYS CA . 31062 1 13 . 1 . 1 2 2 CYS CB C 13 42.163 0.000 . 1 . . . . A 2 CYS CB . 31062 1 14 . 1 . 1 2 2 CYS N N 15 117.562 0.001 . 1 . . . . A 2 CYS N . 31062 1 15 . 1 . 1 3 3 LYS H H 1 8.743 0.000 . 1 . . . . A 3 LYS H . 31062 1 16 . 1 . 1 3 3 LYS HA H 1 4.532 0.000 . 1 . . . . A 3 LYS HA . 31062 1 17 . 1 . 1 3 3 LYS HB2 H 1 1.892 0.000 . 1 . . . . A 3 LYS HB2 . 31062 1 18 . 1 . 1 3 3 LYS HB3 H 1 1.556 0.000 . 1 . . . . A 3 LYS HB3 . 31062 1 19 . 1 . 1 3 3 LYS HG2 H 1 1.472 0.000 . 1 . . . . A 3 LYS HG2 . 31062 1 20 . 1 . 1 3 3 LYS HG3 H 1 1.377 0.000 . 1 . . . . A 3 LYS HG3 . 31062 1 21 . 1 . 1 3 3 LYS HD2 H 1 1.418 0.000 . 1 . . . . A 3 LYS HD2 . 31062 1 22 . 1 . 1 3 3 LYS HD3 H 1 1.770 0.000 . 1 . . . . A 3 LYS HD3 . 31062 1 23 . 1 . 1 3 3 LYS HE2 H 1 2.964 0.000 . 2 . . . . A 3 LYS HE2 . 31062 1 24 . 1 . 1 3 3 LYS HE3 H 1 2.964 0.000 . 2 . . . . A 3 LYS HE3 . 31062 1 25 . 1 . 1 3 3 LYS C C 13 174.227 0.000 . 1 . . . . A 3 LYS C . 31062 1 26 . 1 . 1 3 3 LYS CA C 13 56.477 0.002 . 1 . . . . A 3 LYS CA . 31062 1 27 . 1 . 1 3 3 LYS CB C 13 36.635 0.008 . 1 . . . . A 3 LYS CB . 31062 1 28 . 1 . 1 3 3 LYS CG C 13 25.945 0.000 . 1 . . . . A 3 LYS CG . 31062 1 29 . 1 . 1 3 3 LYS CD C 13 29.684 0.001 . 1 . . . . A 3 LYS CD . 31062 1 30 . 1 . 1 3 3 LYS CE C 13 42.551 0.000 . 1 . . . . A 3 LYS CE . 31062 1 31 . 1 . 1 3 3 LYS N N 15 120.565 0.001 . 1 . . . . A 3 LYS N . 31062 1 32 . 1 . 1 4 4 VAL H H 1 7.830 0.000 . 1 . . . . A 4 VAL H . 31062 1 33 . 1 . 1 4 4 VAL HA H 1 4.263 0.000 . 1 . . . . A 4 VAL HA . 31062 1 34 . 1 . 1 4 4 VAL HB H 1 1.780 0.000 . 1 . . . . A 4 VAL HB . 31062 1 35 . 1 . 1 4 4 VAL HG11 H 1 0.777 0.000 . 2 . . . . A 4 VAL HG11 . 31062 1 36 . 1 . 1 4 4 VAL HG12 H 1 0.777 0.000 . 2 . . . . A 4 VAL HG12 . 31062 1 37 . 1 . 1 4 4 VAL HG13 H 1 0.777 0.000 . 2 . . . . A 4 VAL HG13 . 31062 1 38 . 1 . 1 4 4 VAL HG21 H 1 0.562 0.000 . 2 . . . . A 4 VAL HG21 . 31062 1 39 . 1 . 1 4 4 VAL HG22 H 1 0.562 0.000 . 2 . . . . A 4 VAL HG22 . 31062 1 40 . 1 . 1 4 4 VAL HG23 H 1 0.562 0.000 . 2 . . . . A 4 VAL HG23 . 31062 1 41 . 1 . 1 4 4 VAL CA C 13 57.353 0.000 . 1 . . . . A 4 VAL CA . 31062 1 42 . 1 . 1 4 4 VAL CB C 13 31.317 0.000 . 1 . . . . A 4 VAL CB . 31062 1 43 . 1 . 1 4 4 VAL CG1 C 13 21.946 0.001 . 1 . . . . A 4 VAL CG1 . 31062 1 44 . 1 . 1 4 4 VAL CG2 C 13 17.100 0.002 . 1 . . . . A 4 VAL CG2 . 31062 1 45 . 1 . 1 4 4 VAL N N 15 111.814 0.009 . 1 . . . . A 4 VAL N . 31062 1 46 . 1 . 1 5 5 PRO HA H 1 4.087 0.000 . 1 . . . . A 5 PRO HA . 31062 1 47 . 1 . 1 5 5 PRO HB2 H 1 0.519 0.000 . 1 . . . . A 5 PRO HB2 . 31062 1 48 . 1 . 1 5 5 PRO HB3 H 1 0.407 0.000 . 1 . . . . A 5 PRO HB3 . 31062 1 49 . 1 . 1 5 5 PRO HG2 H 1 0.224 0.000 . 1 . . . . A 5 PRO HG2 . 31062 1 50 . 1 . 1 5 5 PRO HG3 H 1 0.376 0.000 . 1 . . . . A 5 PRO HG3 . 31062 1 51 . 1 . 1 5 5 PRO HD2 H 1 2.364 0.000 . 2 . . . . A 5 PRO HD2 . 31062 1 52 . 1 . 1 5 5 PRO HD3 H 1 1.486 0.000 . 2 . . . . A 5 PRO HD3 . 31062 1 53 . 1 . 1 5 5 PRO C C 13 177.792 0.000 . 1 . . . . A 5 PRO C . 31062 1 54 . 1 . 1 5 5 PRO CA C 13 58.584 0.000 . 1 . . . . A 5 PRO CA . 31062 1 55 . 1 . 1 5 5 PRO CB C 13 30.937 0.000 . 1 . . . . A 5 PRO CB . 31062 1 56 . 1 . 1 5 5 PRO CG C 13 28.925 0.000 . 1 . . . . A 5 PRO CG . 31062 1 57 . 1 . 1 5 5 PRO CD C 13 49.657 0.006 . 1 . . . . A 5 PRO CD . 31062 1 58 . 1 . 1 6 6 PHE H H 1 7.919 0.001 . 1 . . . . A 6 PHE H . 31062 1 59 . 1 . 1 6 6 PHE HA H 1 4.628 0.001 . 1 . . . . A 6 PHE HA . 31062 1 60 . 1 . 1 6 6 PHE HB2 H 1 2.281 0.001 . 2 . . . . A 6 PHE HB2 . 31062 1 61 . 1 . 1 6 6 PHE HB3 H 1 2.200 0.003 . 2 . . . . A 6 PHE HB3 . 31062 1 62 . 1 . 1 6 6 PHE HD1 H 1 6.792 0.000 . 1 . . . . A 6 PHE HD1 . 31062 1 63 . 1 . 1 6 6 PHE HD2 H 1 6.792 0.000 . 1 . . . . A 6 PHE HD2 . 31062 1 64 . 1 . 1 6 6 PHE HE1 H 1 7.375 0.000 . 1 . . . . A 6 PHE HE1 . 31062 1 65 . 1 . 1 6 6 PHE HE2 H 1 7.375 0.000 . 1 . . . . A 6 PHE HE2 . 31062 1 66 . 1 . 1 6 6 PHE HZ H 1 7.376 0.000 . 1 . . . . A 6 PHE HZ . 31062 1 67 . 1 . 1 6 6 PHE C C 13 174.200 0.000 . 1 . . . . A 6 PHE C . 31062 1 68 . 1 . 1 6 6 PHE CA C 13 60.266 0.000 . 1 . . . . A 6 PHE CA . 31062 1 69 . 1 . 1 6 6 PHE CB C 13 37.632 0.000 . 1 . . . . A 6 PHE CB . 31062 1 70 . 1 . 1 6 6 PHE CD1 C 13 132.694 0.003 . 1 . . . . A 6 PHE CD1 . 31062 1 71 . 1 . 1 6 6 PHE CD2 C 13 132.694 0.000 . 1 . . . . A 6 PHE CD2 . 31062 1 72 . 1 . 1 6 6 PHE CE1 C 13 130.870 0.004 . 1 . . . . A 6 PHE CE1 . 31062 1 73 . 1 . 1 6 6 PHE CE2 C 13 130.870 0.000 . 1 . . . . A 6 PHE CE2 . 31062 1 74 . 1 . 1 6 6 PHE CZ C 13 129.537 0.000 . 1 . . . . A 6 PHE CZ . 31062 1 75 . 1 . 1 6 6 PHE N N 15 130.001 0.000 . 1 . . . . A 6 PHE N . 31062 1 76 . 1 . 1 7 7 ASN H H 1 8.922 0.000 . 1 . . . . A 7 ASN H . 31062 1 77 . 1 . 1 7 7 ASN HA H 1 4.538 0.002 . 1 . . . . A 7 ASN HA . 31062 1 78 . 1 . 1 7 7 ASN HB2 H 1 2.685 0.001 . 1 . . . . A 7 ASN HB2 . 31062 1 79 . 1 . 1 7 7 ASN HB3 H 1 2.762 0.000 . 1 . . . . A 7 ASN HB3 . 31062 1 80 . 1 . 1 7 7 ASN HD21 H 1 7.449 0.000 . 1 . . . . A 7 ASN HD21 . 31062 1 81 . 1 . 1 7 7 ASN HD22 H 1 7.161 0.000 . 1 . . . . A 7 ASN HD22 . 31062 1 82 . 1 . 1 7 7 ASN C C 13 174.922 0.000 . 1 . . . . A 7 ASN C . 31062 1 83 . 1 . 1 7 7 ASN CA C 13 53.418 0.004 . 1 . . . . A 7 ASN CA . 31062 1 84 . 1 . 1 7 7 ASN CB C 13 40.526 0.010 . 1 . . . . A 7 ASN CB . 31062 1 85 . 1 . 1 7 7 ASN N N 15 119.658 0.003 . 1 . . . . A 7 ASN N . 31062 1 86 . 1 . 1 7 7 ASN ND2 N 15 112.534 0.000 . 1 . . . . A 7 ASN ND2 . 31062 1 87 . 1 . 1 8 8 GLU H H 1 8.665 0.000 . 1 . . . . A 8 GLU H . 31062 1 88 . 1 . 1 8 8 GLU HA H 1 4.776 0.000 . 1 . . . . A 8 GLU HA . 31062 1 89 . 1 . 1 8 8 GLU HB2 H 1 2.129 0.001 . 2 . . . . A 8 GLU HB2 . 31062 1 90 . 1 . 1 8 8 GLU HB3 H 1 2.129 0.001 . 2 . . . . A 8 GLU HB3 . 31062 1 91 . 1 . 1 8 8 GLU HG2 H 1 2.629 0.000 . 2 . . . . A 8 GLU HG2 . 31062 1 92 . 1 . 1 8 8 GLU HG3 H 1 2.532 0.001 . 2 . . . . A 8 GLU HG3 . 31062 1 93 . 1 . 1 8 8 GLU C C 13 174.751 0.000 . 1 . . . . A 8 GLU C . 31062 1 94 . 1 . 1 8 8 GLU CA C 13 56.966 0.000 . 1 . . . . A 8 GLU CA . 31062 1 95 . 1 . 1 8 8 GLU CB C 13 29.542 0.000 . 1 . . . . A 8 GLU CB . 31062 1 96 . 1 . 1 8 8 GLU CG C 13 35.269 0.000 . 1 . . . . A 8 GLU CG . 31062 1 97 . 1 . 1 8 8 GLU N N 15 121.826 0.009 . 1 . . . . A 8 GLU N . 31062 1 98 . 1 . 1 9 9 CYS H H 1 8.568 0.001 . 1 . . . . A 9 CYS H . 31062 1 99 . 1 . 1 9 9 CYS HA H 1 4.936 0.000 . 1 . . . . A 9 CYS HA . 31062 1 100 . 1 . 1 9 9 CYS HB2 H 1 3.199 0.000 . 2 . . . . A 9 CYS HB2 . 31062 1 101 . 1 . 1 9 9 CYS HB3 H 1 3.120 0.001 . 2 . . . . A 9 CYS HB3 . 31062 1 102 . 1 . 1 9 9 CYS C C 13 171.906 0.000 . 1 . . . . A 9 CYS C . 31062 1 103 . 1 . 1 9 9 CYS CA C 13 53.190 0.000 . 1 . . . . A 9 CYS CA . 31062 1 104 . 1 . 1 9 9 CYS CB C 13 47.912 0.000 . 1 . . . . A 9 CYS CB . 31062 1 105 . 1 . 1 9 9 CYS N N 15 117.976 0.001 . 1 . . . . A 9 CYS N . 31062 1 106 . 1 . 1 10 10 LYS H H 1 8.648 0.000 . 1 . . . . A 10 LYS H . 31062 1 107 . 1 . 1 10 10 LYS HA H 1 4.370 0.000 . 1 . . . . A 10 LYS HA . 31062 1 108 . 1 . 1 10 10 LYS HB2 H 1 1.639 0.000 . 2 . . . . A 10 LYS HB2 . 31062 1 109 . 1 . 1 10 10 LYS HB3 H 1 1.614 0.000 . 2 . . . . A 10 LYS HB3 . 31062 1 110 . 1 . 1 10 10 LYS HG2 H 1 1.370 0.001 . 2 . . . . A 10 LYS HG2 . 31062 1 111 . 1 . 1 10 10 LYS HG3 H 1 1.220 0.000 . 2 . . . . A 10 LYS HG3 . 31062 1 112 . 1 . 1 10 10 LYS HD2 H 1 1.614 0.001 . 2 . . . . A 10 LYS HD2 . 31062 1 113 . 1 . 1 10 10 LYS HD3 H 1 1.614 0.001 . 2 . . . . A 10 LYS HD3 . 31062 1 114 . 1 . 1 10 10 LYS HE2 H 1 2.956 0.001 . 2 . . . . A 10 LYS HE2 . 31062 1 115 . 1 . 1 10 10 LYS HE3 H 1 2.956 0.001 . 2 . . . . A 10 LYS HE3 . 31062 1 116 . 1 . 1 10 10 LYS C C 13 176.036 0.000 . 1 . . . . A 10 LYS C . 31062 1 117 . 1 . 1 10 10 LYS CA C 13 54.470 0.000 . 1 . . . . A 10 LYS CA . 31062 1 118 . 1 . 1 10 10 LYS CB C 13 32.662 0.000 . 1 . . . . A 10 LYS CB . 31062 1 119 . 1 . 1 10 10 LYS CG C 13 24.539 0.005 . 1 . . . . A 10 LYS CG . 31062 1 120 . 1 . 1 10 10 LYS CD C 13 29.100 0.009 . 1 . . . . A 10 LYS CD . 31062 1 121 . 1 . 1 10 10 LYS CE C 13 42.187 0.000 . 1 . . . . A 10 LYS CE . 31062 1 122 . 1 . 1 10 10 LYS N N 15 122.943 0.000 . 1 . . . . A 10 LYS N . 31062 1 123 . 1 . 1 11 11 TYR H H 1 9.114 0.000 . 1 . . . . A 11 TYR H . 31062 1 124 . 1 . 1 11 11 TYR HA H 1 3.817 0.000 . 1 . . . . A 11 TYR HA . 31062 1 125 . 1 . 1 11 11 TYR HB2 H 1 2.977 0.000 . 2 . . . . A 11 TYR HB2 . 31062 1 126 . 1 . 1 11 11 TYR HB3 H 1 2.826 0.000 . 2 . . . . A 11 TYR HB3 . 31062 1 127 . 1 . 1 11 11 TYR HD1 H 1 6.935 0.003 . 1 . . . . A 11 TYR HD1 . 31062 1 128 . 1 . 1 11 11 TYR HD2 H 1 6.935 0.003 . 1 . . . . A 11 TYR HD2 . 31062 1 129 . 1 . 1 11 11 TYR HE1 H 1 6.917 0.000 . 1 . . . . A 11 TYR HE1 . 31062 1 130 . 1 . 1 11 11 TYR HE2 H 1 6.917 0.000 . 1 . . . . A 11 TYR HE2 . 31062 1 131 . 1 . 1 11 11 TYR C C 13 176.258 0.000 . 1 . . . . A 11 TYR C . 31062 1 132 . 1 . 1 11 11 TYR CA C 13 61.657 0.000 . 1 . . . . A 11 TYR CA . 31062 1 133 . 1 . 1 11 11 TYR CB C 13 37.821 0.004 . 1 . . . . A 11 TYR CB . 31062 1 134 . 1 . 1 11 11 TYR CD1 C 13 133.140 0.000 . 1 . . . . A 11 TYR CD1 . 31062 1 135 . 1 . 1 11 11 TYR CD2 C 13 133.140 0.000 . 1 . . . . A 11 TYR CD2 . 31062 1 136 . 1 . 1 11 11 TYR CE1 C 13 118.536 0.003 . 1 . . . . A 11 TYR CE1 . 31062 1 137 . 1 . 1 11 11 TYR CE2 C 13 118.536 0.000 . 1 . . . . A 11 TYR CE2 . 31062 1 138 . 1 . 1 11 11 TYR N N 15 132.259 0.000 . 1 . . . . A 11 TYR N . 31062 1 139 . 1 . 1 12 12 GLY H H 1 8.310 0.000 . 1 . . . . A 12 GLY H . 31062 1 140 . 1 . 1 12 12 GLY HA2 H 1 3.308 0.001 . 2 . . . . A 12 GLY HA2 . 31062 1 141 . 1 . 1 12 12 GLY HA3 H 1 4.051 0.002 . 2 . . . . A 12 GLY HA3 . 31062 1 142 . 1 . 1 12 12 GLY C C 13 173.808 0.000 . 1 . . . . A 12 GLY C . 31062 1 143 . 1 . 1 12 12 GLY CA C 13 44.850 0.000 . 1 . . . . A 12 GLY CA . 31062 1 144 . 1 . 1 12 12 GLY N N 15 117.167 0.001 . 1 . . . . A 12 GLY N . 31062 1 145 . 1 . 1 13 13 ALA H H 1 7.612 0.000 . 1 . . . . A 13 ALA H . 31062 1 146 . 1 . 1 13 13 ALA HA H 1 4.516 0.002 . 1 . . . . A 13 ALA HA . 31062 1 147 . 1 . 1 13 13 ALA HB1 H 1 1.384 0.000 . 1 . . . . A 13 ALA HB1 . 31062 1 148 . 1 . 1 13 13 ALA HB2 H 1 1.384 0.000 . 1 . . . . A 13 ALA HB2 . 31062 1 149 . 1 . 1 13 13 ALA HB3 H 1 1.384 0.000 . 1 . . . . A 13 ALA HB3 . 31062 1 150 . 1 . 1 13 13 ALA C C 13 176.025 0.000 . 1 . . . . A 13 ALA C . 31062 1 151 . 1 . 1 13 13 ALA CA C 13 51.480 0.000 . 1 . . . . A 13 ALA CA . 31062 1 152 . 1 . 1 13 13 ALA CB C 13 19.649 0.007 . 1 . . . . A 13 ALA CB . 31062 1 153 . 1 . 1 13 13 ALA N N 15 122.012 0.007 . 1 . . . . A 13 ALA N . 31062 1 154 . 1 . 1 14 14 ASP H H 1 8.330 0.000 . 1 . . . . A 14 ASP H . 31062 1 155 . 1 . 1 14 14 ASP HA H 1 4.654 0.008 . 1 . . . . A 14 ASP HA . 31062 1 156 . 1 . 1 14 14 ASP HB2 H 1 2.929 0.001 . 2 . . . . A 14 ASP HB2 . 31062 1 157 . 1 . 1 14 14 ASP HB3 H 1 2.486 0.003 . 2 . . . . A 14 ASP HB3 . 31062 1 158 . 1 . 1 14 14 ASP C C 13 175.684 0.000 . 1 . . . . A 14 ASP C . 31062 1 159 . 1 . 1 14 14 ASP CA C 13 54.214 0.000 . 1 . . . . A 14 ASP CA . 31062 1 160 . 1 . 1 14 14 ASP CB C 13 39.306 0.006 . 1 . . . . A 14 ASP CB . 31062 1 161 . 1 . 1 14 14 ASP N N 15 119.933 0.005 . 1 . . . . A 14 ASP N . 31062 1 162 . 1 . 1 15 15 GLU H H 1 8.888 0.000 . 1 . . . . A 15 GLU H . 31062 1 163 . 1 . 1 15 15 GLU HA H 1 4.229 0.000 . 1 . . . . A 15 GLU HA . 31062 1 164 . 1 . 1 15 15 GLU HB2 H 1 2.057 0.000 . 2 . . . . A 15 GLU HB2 . 31062 1 165 . 1 . 1 15 15 GLU HB3 H 1 2.004 0.000 . 2 . . . . A 15 GLU HB3 . 31062 1 166 . 1 . 1 15 15 GLU HG2 H 1 2.287 0.001 . 2 . . . . A 15 GLU HG2 . 31062 1 167 . 1 . 1 15 15 GLU HG3 H 1 2.162 0.000 . 2 . . . . A 15 GLU HG3 . 31062 1 168 . 1 . 1 15 15 GLU C C 13 178.792 0.000 . 1 . . . . A 15 GLU C . 31062 1 169 . 1 . 1 15 15 GLU CA C 13 57.680 0.000 . 1 . . . . A 15 GLU CA . 31062 1 170 . 1 . 1 15 15 GLU CB C 13 32.500 0.000 . 1 . . . . A 15 GLU CB . 31062 1 171 . 1 . 1 15 15 GLU CG C 13 37.360 0.000 . 1 . . . . A 15 GLU CG . 31062 1 172 . 1 . 1 15 15 GLU N N 15 115.561 0.001 . 1 . . . . A 15 GLU N . 31062 1 173 . 1 . 1 16 16 CYS H H 1 8.483 0.000 . 1 . . . . A 16 CYS H . 31062 1 174 . 1 . 1 16 16 CYS HA H 1 4.857 0.000 . 1 . . . . A 16 CYS HA . 31062 1 175 . 1 . 1 16 16 CYS HB2 H 1 2.962 0.001 . 2 . . . . A 16 CYS HB2 . 31062 1 176 . 1 . 1 16 16 CYS HB3 H 1 2.777 0.001 . 2 . . . . A 16 CYS HB3 . 31062 1 177 . 1 . 1 16 16 CYS C C 13 175.353 0.000 . 1 . . . . A 16 CYS C . 31062 1 178 . 1 . 1 16 16 CYS CA C 13 55.212 0.000 . 1 . . . . A 16 CYS CA . 31062 1 179 . 1 . 1 16 16 CYS CB C 13 39.743 0.000 . 1 . . . . A 16 CYS CB . 31062 1 180 . 1 . 1 16 16 CYS N N 15 117.484 0.000 . 1 . . . . A 16 CYS N . 31062 1 181 . 1 . 1 17 17 CYS H H 1 10.319 0.001 . 1 . . . . A 17 CYS H . 31062 1 182 . 1 . 1 17 17 CYS HA H 1 4.537 0.001 . 1 . . . . A 17 CYS HA . 31062 1 183 . 1 . 1 17 17 CYS HB2 H 1 3.460 0.002 . 2 . . . . A 17 CYS HB2 . 31062 1 184 . 1 . 1 17 17 CYS HB3 H 1 2.646 0.002 . 2 . . . . A 17 CYS HB3 . 31062 1 185 . 1 . 1 17 17 CYS C C 13 172.623 0.000 . 1 . . . . A 17 CYS C . 31062 1 186 . 1 . 1 17 17 CYS CA C 13 54.484 0.000 . 1 . . . . A 17 CYS CA . 31062 1 187 . 1 . 1 17 17 CYS CB C 13 40.123 0.009 . 1 . . . . A 17 CYS CB . 31062 1 188 . 1 . 1 17 17 CYS N N 15 122.834 0.005 . 1 . . . . A 17 CYS N . 31062 1 189 . 1 . 1 18 18 LYS H H 1 8.363 0.000 . 1 . . . . A 18 LYS H . 31062 1 190 . 1 . 1 18 18 LYS HA H 1 4.016 0.002 . 1 . . . . A 18 LYS HA . 31062 1 191 . 1 . 1 18 18 LYS HB2 H 1 1.784 0.000 . 2 . . . . A 18 LYS HB2 . 31062 1 192 . 1 . 1 18 18 LYS HB3 H 1 1.659 0.000 . 2 . . . . A 18 LYS HB3 . 31062 1 193 . 1 . 1 18 18 LYS HG2 H 1 1.456 0.000 . 2 . . . . A 18 LYS HG2 . 31062 1 194 . 1 . 1 18 18 LYS HG3 H 1 1.361 0.002 . 2 . . . . A 18 LYS HG3 . 31062 1 195 . 1 . 1 18 18 LYS HD2 H 1 1.659 0.000 . 2 . . . . A 18 LYS HD2 . 31062 1 196 . 1 . 1 18 18 LYS HD3 H 1 1.659 0.000 . 2 . . . . A 18 LYS HD3 . 31062 1 197 . 1 . 1 18 18 LYS HE2 H 1 2.955 0.000 . 2 . . . . A 18 LYS HE2 . 31062 1 198 . 1 . 1 18 18 LYS HE3 H 1 2.955 0.000 . 2 . . . . A 18 LYS HE3 . 31062 1 199 . 1 . 1 18 18 LYS C C 13 176.619 0.000 . 1 . . . . A 18 LYS C . 31062 1 200 . 1 . 1 18 18 LYS CA C 13 58.445 0.000 . 1 . . . . A 18 LYS CA . 31062 1 201 . 1 . 1 18 18 LYS CB C 13 31.989 0.000 . 1 . . . . A 18 LYS CB . 31062 1 202 . 1 . 1 18 18 LYS CG C 13 24.587 0.008 . 1 . . . . A 18 LYS CG . 31062 1 203 . 1 . 1 18 18 LYS CD C 13 29.065 0.000 . 1 . . . . A 18 LYS CD . 31062 1 204 . 1 . 1 18 18 LYS CE C 13 42.080 0.000 . 1 . . . . A 18 LYS CE . 31062 1 205 . 1 . 1 18 18 LYS N N 15 120.511 0.005 . 1 . . . . A 18 LYS N . 31062 1 206 . 1 . 1 19 19 GLY H H 1 8.595 0.000 . 1 . . . . A 19 GLY H . 31062 1 207 . 1 . 1 19 19 GLY HA2 H 1 3.994 0.000 . 2 . . . . A 19 GLY HA2 . 31062 1 208 . 1 . 1 19 19 GLY HA3 H 1 3.412 0.001 . 2 . . . . A 19 GLY HA3 . 31062 1 209 . 1 . 1 19 19 GLY C C 13 173.387 0.000 . 1 . . . . A 19 GLY C . 31062 1 210 . 1 . 1 19 19 GLY CA C 13 44.478 0.000 . 1 . . . . A 19 GLY CA . 31062 1 211 . 1 . 1 19 19 GLY N N 15 113.521 0.001 . 1 . . . . A 19 GLY N . 31062 1 212 . 1 . 1 20 20 TYR H H 1 8.109 0.000 . 1 . . . . A 20 TYR H . 31062 1 213 . 1 . 1 20 20 TYR HA H 1 5.284 0.000 . 1 . . . . A 20 TYR HA . 31062 1 214 . 1 . 1 20 20 TYR HB2 H 1 2.864 0.000 . 2 . . . . A 20 TYR HB2 . 31062 1 215 . 1 . 1 20 20 TYR HB3 H 1 3.005 0.000 . 2 . . . . A 20 TYR HB3 . 31062 1 216 . 1 . 1 20 20 TYR HD1 H 1 6.837 0.000 . 1 . . . . A 20 TYR HD1 . 31062 1 217 . 1 . 1 20 20 TYR HD2 H 1 6.837 0.000 . 1 . . . . A 20 TYR HD2 . 31062 1 218 . 1 . 1 20 20 TYR HE1 H 1 6.635 0.001 . 1 . . . . A 20 TYR HE1 . 31062 1 219 . 1 . 1 20 20 TYR HE2 H 1 6.635 0.001 . 1 . . . . A 20 TYR HE2 . 31062 1 220 . 1 . 1 20 20 TYR C C 13 174.671 0.000 . 1 . . . . A 20 TYR C . 31062 1 221 . 1 . 1 20 20 TYR CA C 13 54.887 0.000 . 1 . . . . A 20 TYR CA . 31062 1 222 . 1 . 1 20 20 TYR CB C 13 39.540 0.004 . 1 . . . . A 20 TYR CB . 31062 1 223 . 1 . 1 20 20 TYR CD1 C 13 132.831 0.000 . 1 . . . . A 20 TYR CD1 . 31062 1 224 . 1 . 1 20 20 TYR CD2 C 13 132.831 0.000 . 1 . . . . A 20 TYR CD2 . 31062 1 225 . 1 . 1 20 20 TYR CE1 C 13 118.007 0.000 . 1 . . . . A 20 TYR CE1 . 31062 1 226 . 1 . 1 20 20 TYR CE2 C 13 118.007 0.000 . 1 . . . . A 20 TYR CE2 . 31062 1 227 . 1 . 1 20 20 TYR N N 15 119.386 0.001 . 1 . . . . A 20 TYR N . 31062 1 228 . 1 . 1 21 21 VAL H H 1 8.724 0.000 . 1 . . . . A 21 VAL H . 31062 1 229 . 1 . 1 21 21 VAL HA H 1 4.596 0.000 . 1 . . . . A 21 VAL HA . 31062 1 230 . 1 . 1 21 21 VAL HB H 1 1.966 0.000 . 1 . . . . A 21 VAL HB . 31062 1 231 . 1 . 1 21 21 VAL HG11 H 1 0.804 0.000 . 2 . . . . A 21 VAL HG11 . 31062 1 232 . 1 . 1 21 21 VAL HG12 H 1 0.804 0.000 . 2 . . . . A 21 VAL HG12 . 31062 1 233 . 1 . 1 21 21 VAL HG13 H 1 0.804 0.000 . 2 . . . . A 21 VAL HG13 . 31062 1 234 . 1 . 1 21 21 VAL HG21 H 1 0.799 0.000 . 2 . . . . A 21 VAL HG21 . 31062 1 235 . 1 . 1 21 21 VAL HG22 H 1 0.799 0.000 . 2 . . . . A 21 VAL HG22 . 31062 1 236 . 1 . 1 21 21 VAL HG23 H 1 0.799 0.000 . 2 . . . . A 21 VAL HG23 . 31062 1 237 . 1 . 1 21 21 VAL C C 13 174.054 0.000 . 1 . . . . A 21 VAL C . 31062 1 238 . 1 . 1 21 21 VAL CA C 13 59.381 0.000 . 1 . . . . A 21 VAL CA . 31062 1 239 . 1 . 1 21 21 VAL CB C 13 35.466 0.000 . 1 . . . . A 21 VAL CB . 31062 1 240 . 1 . 1 21 21 VAL CG1 C 13 21.098 0.000 . 1 . . . . A 21 VAL CG1 . 31062 1 241 . 1 . 1 21 21 VAL CG2 C 13 19.784 0.000 . 1 . . . . A 21 VAL CG2 . 31062 1 242 . 1 . 1 21 21 VAL N N 15 115.264 0.001 . 1 . . . . A 21 VAL N . 31062 1 243 . 1 . 1 22 22 CYS H H 1 8.953 0.000 . 1 . . . . A 22 CYS H . 31062 1 244 . 1 . 1 22 22 CYS HA H 1 4.800 0.000 . 1 . . . . A 22 CYS HA . 31062 1 245 . 1 . 1 22 22 CYS HB2 H 1 3.230 0.000 . 2 . . . . A 22 CYS HB2 . 31062 1 246 . 1 . 1 22 22 CYS HB3 H 1 3.015 0.000 . 2 . . . . A 22 CYS HB3 . 31062 1 247 . 1 . 1 22 22 CYS C C 13 174.603 0.000 . 1 . . . . A 22 CYS C . 31062 1 248 . 1 . 1 22 22 CYS CA C 13 55.231 0.000 . 1 . . . . A 22 CYS CA . 31062 1 249 . 1 . 1 22 22 CYS CB C 13 41.065 0.000 . 1 . . . . A 22 CYS CB . 31062 1 250 . 1 . 1 22 22 CYS N N 15 124.344 0.005 . 1 . . . . A 22 CYS N . 31062 1 251 . 1 . 1 23 23 SER H H 1 8.244 0.000 . 1 . . . . A 23 SER H . 31062 1 252 . 1 . 1 23 23 SER HA H 1 4.497 0.001 . 1 . . . . A 23 SER HA . 31062 1 253 . 1 . 1 23 23 SER HB2 H 1 3.997 0.000 . 2 . . . . A 23 SER HB2 . 31062 1 254 . 1 . 1 23 23 SER HB3 H 1 3.954 0.001 . 2 . . . . A 23 SER HB3 . 31062 1 255 . 1 . 1 23 23 SER C C 13 175.703 0.000 . 1 . . . . A 23 SER C . 31062 1 256 . 1 . 1 23 23 SER CA C 13 56.884 0.007 . 1 . . . . A 23 SER CA . 31062 1 257 . 1 . 1 23 23 SER CB C 13 63.779 0.000 . 1 . . . . A 23 SER CB . 31062 1 258 . 1 . 1 23 23 SER N N 15 123.264 0.000 . 1 . . . . A 23 SER N . 31062 1 259 . 1 . 1 24 24 LYS H H 1 8.776 0.000 . 1 . . . . A 24 LYS H . 31062 1 260 . 1 . 1 24 24 LYS HA H 1 3.515 0.000 . 1 . . . . A 24 LYS HA . 31062 1 261 . 1 . 1 24 24 LYS HB2 H 1 1.386 0.001 . 2 . . . . A 24 LYS HB2 . 31062 1 262 . 1 . 1 24 24 LYS HB3 H 1 1.001 0.001 . 2 . . . . A 24 LYS HB3 . 31062 1 263 . 1 . 1 24 24 LYS HG2 H 1 0.994 0.001 . 2 . . . . A 24 LYS HG2 . 31062 1 264 . 1 . 1 24 24 LYS HG3 H 1 0.679 0.000 . 2 . . . . A 24 LYS HG3 . 31062 1 265 . 1 . 1 24 24 LYS HD2 H 1 1.204 0.001 . 2 . . . . A 24 LYS HD2 . 31062 1 266 . 1 . 1 24 24 LYS HD3 H 1 1.204 0.001 . 2 . . . . A 24 LYS HD3 . 31062 1 267 . 1 . 1 24 24 LYS HE2 H 1 2.686 0.000 . 2 . . . . A 24 LYS HE2 . 31062 1 268 . 1 . 1 24 24 LYS HE3 H 1 2.686 0.000 . 2 . . . . A 24 LYS HE3 . 31062 1 269 . 1 . 1 24 24 LYS C C 13 177.782 0.000 . 1 . . . . A 24 LYS C . 31062 1 270 . 1 . 1 24 24 LYS CA C 13 59.328 0.007 . 1 . . . . A 24 LYS CA . 31062 1 271 . 1 . 1 24 24 LYS CB C 13 32.386 0.000 . 1 . . . . A 24 LYS CB . 31062 1 272 . 1 . 1 24 24 LYS CG C 13 24.680 0.003 . 1 . . . . A 24 LYS CG . 31062 1 273 . 1 . 1 24 24 LYS CD C 13 28.985 0.000 . 1 . . . . A 24 LYS CD . 31062 1 274 . 1 . 1 24 24 LYS CE C 13 41.980 0.000 . 1 . . . . A 24 LYS CE . 31062 1 275 . 1 . 1 24 24 LYS N N 15 132.723 0.004 . 1 . . . . A 24 LYS N . 31062 1 276 . 1 . 1 25 25 ARG H H 1 8.043 0.001 . 1 . . . . A 25 ARG H . 31062 1 277 . 1 . 1 25 25 ARG HA H 1 3.871 0.000 . 1 . . . . A 25 ARG HA . 31062 1 278 . 1 . 1 25 25 ARG HB2 H 1 1.438 0.000 . 2 . . . . A 25 ARG HB2 . 31062 1 279 . 1 . 1 25 25 ARG HB3 H 1 1.661 0.001 . 2 . . . . A 25 ARG HB3 . 31062 1 280 . 1 . 1 25 25 ARG HG2 H 1 1.506 0.000 . 2 . . . . A 25 ARG HG2 . 31062 1 281 . 1 . 1 25 25 ARG HG3 H 1 1.383 0.000 . 2 . . . . A 25 ARG HG3 . 31062 1 282 . 1 . 1 25 25 ARG HD2 H 1 3.110 0.000 . 2 . . . . A 25 ARG HD2 . 31062 1 283 . 1 . 1 25 25 ARG HD3 H 1 3.054 0.000 . 2 . . . . A 25 ARG HD3 . 31062 1 284 . 1 . 1 25 25 ARG C C 13 177.260 0.000 . 1 . . . . A 25 ARG C . 31062 1 285 . 1 . 1 25 25 ARG CA C 13 58.293 0.000 . 1 . . . . A 25 ARG CA . 31062 1 286 . 1 . 1 25 25 ARG CB C 13 30.643 0.000 . 1 . . . . A 25 ARG CB . 31062 1 287 . 1 . 1 25 25 ARG CG C 13 26.899 0.000 . 1 . . . . A 25 ARG CG . 31062 1 288 . 1 . 1 25 25 ARG CD C 13 43.122 0.000 . 1 . . . . A 25 ARG CD . 31062 1 289 . 1 . 1 25 25 ARG N N 15 116.349 0.001 . 1 . . . . A 25 ARG N . 31062 1 290 . 1 . 1 26 26 ASP H H 1 7.324 0.001 . 1 . . . . A 26 ASP H . 31062 1 291 . 1 . 1 26 26 ASP HA H 1 4.160 0.000 . 1 . . . . A 26 ASP HA . 31062 1 292 . 1 . 1 26 26 ASP HB2 H 1 1.257 0.000 . 2 . . . . A 26 ASP HB2 . 31062 1 293 . 1 . 1 26 26 ASP HB3 H 1 0.818 0.000 . 2 . . . . A 26 ASP HB3 . 31062 1 294 . 1 . 1 26 26 ASP C C 13 175.954 0.000 . 1 . . . . A 26 ASP C . 31062 1 295 . 1 . 1 26 26 ASP CA C 13 54.725 0.000 . 1 . . . . A 26 ASP CA . 31062 1 296 . 1 . 1 26 26 ASP CB C 13 41.341 0.000 . 1 . . . . A 26 ASP CB . 31062 1 297 . 1 . 1 26 26 ASP N N 15 113.295 0.001 . 1 . . . . A 26 ASP N . 31062 1 298 . 1 . 1 27 27 GLY H H 1 7.908 0.000 . 1 . . . . A 27 GLY H . 31062 1 299 . 1 . 1 27 27 GLY HA2 H 1 3.946 0.000 . 2 . . . . A 27 GLY HA2 . 31062 1 300 . 1 . 1 27 27 GLY HA3 H 1 3.946 0.000 . 2 . . . . A 27 GLY HA3 . 31062 1 301 . 1 . 1 27 27 GLY C C 13 173.575 0.000 . 1 . . . . A 27 GLY C . 31062 1 302 . 1 . 1 27 27 GLY CA C 13 46.207 0.000 . 1 . . . . A 27 GLY CA . 31062 1 303 . 1 . 1 27 27 GLY N N 15 105.421 0.005 . 1 . . . . A 27 GLY N . 31062 1 304 . 1 . 1 28 28 TRP H H 1 6.705 0.000 . 1 . . . . A 28 TRP H . 31062 1 305 . 1 . 1 28 28 TRP HA H 1 5.608 0.001 . 1 . . . . A 28 TRP HA . 31062 1 306 . 1 . 1 28 28 TRP HB2 H 1 3.131 0.002 . 2 . . . . A 28 TRP HB2 . 31062 1 307 . 1 . 1 28 28 TRP HB3 H 1 2.829 0.001 . 2 . . . . A 28 TRP HB3 . 31062 1 308 . 1 . 1 28 28 TRP HD1 H 1 7.133 0.001 . 1 . . . . A 28 TRP HD1 . 31062 1 309 . 1 . 1 28 28 TRP HE1 H 1 10.326 0.001 . 1 . . . . A 28 TRP HE1 . 31062 1 310 . 1 . 1 28 28 TRP HE3 H 1 7.255 0.000 . 1 . . . . A 28 TRP HE3 . 31062 1 311 . 1 . 1 28 28 TRP HZ2 H 1 7.307 0.001 . 1 . . . . A 28 TRP HZ2 . 31062 1 312 . 1 . 1 28 28 TRP HZ3 H 1 7.108 0.000 . 1 . . . . A 28 TRP HZ3 . 31062 1 313 . 1 . 1 28 28 TRP HH2 H 1 7.101 0.001 . 1 . . . . A 28 TRP HH2 . 31062 1 314 . 1 . 1 28 28 TRP C C 13 177.099 0.000 . 1 . . . . A 28 TRP C . 31062 1 315 . 1 . 1 28 28 TRP CA C 13 53.940 0.000 . 1 . . . . A 28 TRP CA . 31062 1 316 . 1 . 1 28 28 TRP CB C 13 31.812 0.003 . 1 . . . . A 28 TRP CB . 31062 1 317 . 1 . 1 28 28 TRP CD1 C 13 125.846 0.035 . 1 . . . . A 28 TRP CD1 . 31062 1 318 . 1 . 1 28 28 TRP CE3 C 13 120.008 0.000 . 1 . . . . A 28 TRP CE3 . 31062 1 319 . 1 . 1 28 28 TRP CZ2 C 13 113.974 0.006 . 1 . . . . A 28 TRP CZ2 . 31062 1 320 . 1 . 1 28 28 TRP CZ3 C 13 120.103 0.000 . 1 . . . . A 28 TRP CZ3 . 31062 1 321 . 1 . 1 28 28 TRP CH2 C 13 124.513 0.000 . 1 . . . . A 28 TRP CH2 . 31062 1 322 . 1 . 1 28 28 TRP N N 15 112.468 0.000 . 1 . . . . A 28 TRP N . 31062 1 323 . 1 . 1 28 28 TRP NE1 N 15 128.911 0.005 . 1 . . . . A 28 TRP NE1 . 31062 1 324 . 1 . 1 29 29 CYS H H 1 8.622 0.000 . 1 . . . . A 29 CYS H . 31062 1 325 . 1 . 1 29 29 CYS HA H 1 5.127 0.000 . 1 . . . . A 29 CYS HA . 31062 1 326 . 1 . 1 29 29 CYS HB2 H 1 2.241 0.000 . 2 . . . . A 29 CYS HB2 . 31062 1 327 . 1 . 1 29 29 CYS HB3 H 1 2.104 0.000 . 2 . . . . A 29 CYS HB3 . 31062 1 328 . 1 . 1 29 29 CYS C C 13 173.496 0.000 . 1 . . . . A 29 CYS C . 31062 1 329 . 1 . 1 29 29 CYS CA C 13 55.007 0.000 . 1 . . . . A 29 CYS CA . 31062 1 330 . 1 . 1 29 29 CYS CB C 13 39.932 0.000 . 1 . . . . A 29 CYS CB . 31062 1 331 . 1 . 1 29 29 CYS N N 15 119.887 0.002 . 1 . . . . A 29 CYS N . 31062 1 332 . 1 . 1 30 30 LYS H H 1 9.410 0.000 . 1 . . . . A 30 LYS H . 31062 1 333 . 1 . 1 30 30 LYS HA H 1 4.616 0.000 . 1 . . . . A 30 LYS HA . 31062 1 334 . 1 . 1 30 30 LYS HB2 H 1 2.243 0.000 . 2 . . . . A 30 LYS HB2 . 31062 1 335 . 1 . 1 30 30 LYS HB3 H 1 2.103 0.001 . 2 . . . . A 30 LYS HB3 . 31062 1 336 . 1 . 1 30 30 LYS HG2 H 1 1.796 0.001 . 2 . . . . A 30 LYS HG2 . 31062 1 337 . 1 . 1 30 30 LYS HG3 H 1 1.739 0.003 . 2 . . . . A 30 LYS HG3 . 31062 1 338 . 1 . 1 30 30 LYS HD2 H 1 1.957 0.000 . 2 . . . . A 30 LYS HD2 . 31062 1 339 . 1 . 1 30 30 LYS HD3 H 1 1.957 0.000 . 2 . . . . A 30 LYS HD3 . 31062 1 340 . 1 . 1 30 30 LYS HE2 H 1 3.239 0.001 . 2 . . . . A 30 LYS HE2 . 31062 1 341 . 1 . 1 30 30 LYS HE3 H 1 3.146 0.000 . 2 . . . . A 30 LYS HE3 . 31062 1 342 . 1 . 1 30 30 LYS C C 13 175.737 0.000 . 1 . . . . A 30 LYS C . 31062 1 343 . 1 . 1 30 30 LYS CA C 13 59.889 0.000 . 1 . . . . A 30 LYS CA . 31062 1 344 . 1 . 1 30 30 LYS CB C 13 36.614 0.003 . 1 . . . . A 30 LYS CB . 31062 1 345 . 1 . 1 30 30 LYS CG C 13 24.847 0.000 . 1 . . . . A 30 LYS CG . 31062 1 346 . 1 . 1 30 30 LYS CD C 13 30.120 0.000 . 1 . . . . A 30 LYS CD . 31062 1 347 . 1 . 1 30 30 LYS CE C 13 42.154 0.005 . 1 . . . . A 30 LYS CE . 31062 1 348 . 1 . 1 30 30 LYS N N 15 117.823 0.002 . 1 . . . . A 30 LYS N . 31062 1 349 . 1 . 1 31 31 TYR H H 1 8.226 0.001 . 1 . . . . A 31 TYR H . 31062 1 350 . 1 . 1 31 31 TYR HA H 1 4.620 0.000 . 1 . . . . A 31 TYR HA . 31062 1 351 . 1 . 1 31 31 TYR HB2 H 1 3.129 0.001 . 2 . . . . A 31 TYR HB2 . 31062 1 352 . 1 . 1 31 31 TYR HB3 H 1 2.974 0.001 . 2 . . . . A 31 TYR HB3 . 31062 1 353 . 1 . 1 31 31 TYR HD1 H 1 7.309 0.001 . 1 . . . . A 31 TYR HD1 . 31062 1 354 . 1 . 1 31 31 TYR HD2 H 1 7.309 0.001 . 1 . . . . A 31 TYR HD2 . 31062 1 355 . 1 . 1 31 31 TYR HE1 H 1 6.798 0.002 . 1 . . . . A 31 TYR HE1 . 31062 1 356 . 1 . 1 31 31 TYR HE2 H 1 6.798 0.002 . 1 . . . . A 31 TYR HE2 . 31062 1 357 . 1 . 1 31 31 TYR C C 13 176.201 0.000 . 1 . . . . A 31 TYR C . 31062 1 358 . 1 . 1 31 31 TYR CA C 13 59.968 0.000 . 1 . . . . A 31 TYR CA . 31062 1 359 . 1 . 1 31 31 TYR CB C 13 38.737 0.000 . 1 . . . . A 31 TYR CB . 31062 1 360 . 1 . 1 31 31 TYR CD1 C 13 133.228 0.000 . 1 . . . . A 31 TYR CD1 . 31062 1 361 . 1 . 1 31 31 TYR CD2 C 13 133.228 0.000 . 1 . . . . A 31 TYR CD2 . 31062 1 362 . 1 . 1 31 31 TYR CE1 C 13 118.518 0.000 . 1 . . . . A 31 TYR CE1 . 31062 1 363 . 1 . 1 31 31 TYR CE2 C 13 118.518 0.000 . 1 . . . . A 31 TYR CE2 . 31062 1 364 . 1 . 1 31 31 TYR N N 15 118.848 0.000 . 1 . . . . A 31 TYR N . 31062 1 365 . 1 . 1 32 32 HIS H H 1 8.576 0.000 . 1 . . . . A 32 HIS H . 31062 1 366 . 1 . 1 32 32 HIS HA H 1 4.685 0.000 . 1 . . . . A 32 HIS HA . 31062 1 367 . 1 . 1 32 32 HIS HB2 H 1 3.235 0.000 . 2 . . . . A 32 HIS HB2 . 31062 1 368 . 1 . 1 32 32 HIS HB3 H 1 3.110 0.000 . 2 . . . . A 32 HIS HB3 . 31062 1 369 . 1 . 1 32 32 HIS HD2 H 1 7.525 0.000 . 1 . . . . A 32 HIS HD2 . 31062 1 370 . 1 . 1 32 32 HIS HE1 H 1 8.570 0.000 . 1 . . . . A 32 HIS HE1 . 31062 1 371 . 1 . 1 32 32 HIS CA C 13 55.480 0.000 . 1 . . . . A 32 HIS CA . 31062 1 372 . 1 . 1 32 32 HIS CB C 13 29.804 0.000 . 1 . . . . A 32 HIS CB . 31062 1 373 . 1 . 1 32 32 HIS CD2 C 13 121.496 0.000 . 1 . . . . A 32 HIS CD2 . 31062 1 374 . 1 . 1 32 32 HIS CE1 C 13 136.605 0.006 . 1 . . . . A 32 HIS CE1 . 31062 1 375 . 1 . 1 32 32 HIS N N 15 119.209 0.001 . 1 . . . . A 32 HIS N . 31062 1 376 . 1 . 1 33 33 ILE H H 1 8.163 0.000 . 1 . . . . A 33 ILE H . 31062 1 377 . 1 . 1 33 33 ILE HA H 1 4.149 0.000 . 1 . . . . A 33 ILE HA . 31062 1 378 . 1 . 1 33 33 ILE HB H 1 1.835 0.000 . 1 . . . . A 33 ILE HB . 31062 1 379 . 1 . 1 33 33 ILE HG12 H 1 1.448 0.000 . 2 . . . . A 33 ILE HG12 . 31062 1 380 . 1 . 1 33 33 ILE HG13 H 1 1.161 0.000 . 2 . . . . A 33 ILE HG13 . 31062 1 381 . 1 . 1 33 33 ILE HG21 H 1 0.921 0.000 . 1 . . . . A 33 ILE HG21 . 31062 1 382 . 1 . 1 33 33 ILE HG22 H 1 0.921 0.000 . 1 . . . . A 33 ILE HG22 . 31062 1 383 . 1 . 1 33 33 ILE HG23 H 1 0.921 0.000 . 1 . . . . A 33 ILE HG23 . 31062 1 384 . 1 . 1 33 33 ILE HD11 H 1 0.879 0.000 . 1 . . . . A 33 ILE HD11 . 31062 1 385 . 1 . 1 33 33 ILE HD12 H 1 0.879 0.000 . 1 . . . . A 33 ILE HD12 . 31062 1 386 . 1 . 1 33 33 ILE HD13 H 1 0.879 0.000 . 1 . . . . A 33 ILE HD13 . 31062 1 387 . 1 . 1 33 33 ILE C C 13 174.879 0.000 . 1 . . . . A 33 ILE C . 31062 1 388 . 1 . 1 33 33 ILE CA C 13 61.335 0.000 . 1 . . . . A 33 ILE CA . 31062 1 389 . 1 . 1 33 33 ILE CB C 13 39.202 0.000 . 1 . . . . A 33 ILE CB . 31062 1 390 . 1 . 1 33 33 ILE CG1 C 13 27.188 0.005 . 1 . . . . A 33 ILE CG1 . 31062 1 391 . 1 . 1 33 33 ILE CG2 C 13 17.472 0.000 . 1 . . . . A 33 ILE CG2 . 31062 1 392 . 1 . 1 33 33 ILE CD1 C 13 13.117 0.000 . 1 . . . . A 33 ILE CD1 . 31062 1 393 . 1 . 1 33 33 ILE N N 15 122.737 0.001 . 1 . . . . A 33 ILE N . 31062 1 394 . 1 . 1 34 34 ASN H H 1 8.099 0.000 . 1 . . . . A 34 ASN H . 31062 1 395 . 1 . 1 34 34 ASN HA H 1 4.405 0.002 . 1 . . . . A 34 ASN HA . 31062 1 396 . 1 . 1 34 34 ASN HB2 H 1 2.782 0.000 . 2 . . . . A 34 ASN HB2 . 31062 1 397 . 1 . 1 34 34 ASN HB3 H 1 2.680 0.000 . 2 . . . . A 34 ASN HB3 . 31062 1 398 . 1 . 1 34 34 ASN HD21 H 1 7.545 0.001 . 2 . . . . A 34 ASN HD21 . 31062 1 399 . 1 . 1 34 34 ASN HD22 H 1 6.843 0.000 . 2 . . . . A 34 ASN HD22 . 31062 1 400 . 1 . 1 34 34 ASN CA C 13 54.981 0.000 . 1 . . . . A 34 ASN CA . 31062 1 401 . 1 . 1 34 34 ASN CB C 13 40.035 0.000 . 1 . . . . A 34 ASN CB . 31062 1 402 . 1 . 1 34 34 ASN N N 15 126.953 0.001 . 1 . . . . A 34 ASN N . 31062 1 403 . 1 . 1 34 34 ASN ND2 N 15 112.869 0.001 . 1 . . . . A 34 ASN ND2 . 31062 1 stop_ save_