################################### # 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 34941 _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 . _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-1H COSY' . . . 34941 1 2 '2D 1H-1H TOCSY' . . . 34941 1 3 '2D 1H-1H NOESY' . . . 34941 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 GLU HA H 1 3.9508 0.00342928564 . 1 . . . . A 1 GLU HA . 34941 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.015714286 0.0006998542123 . 2 . . . . A 1 GLU HB2 . 34941 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.05325 0.0006614378283 . 2 . . . . A 1 GLU HB3 . 34941 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.348 0.001095445115 . 2 . . . . A 1 GLU HG2 . 34941 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.348 0.001095445115 . 2 . . . . A 1 GLU HG3 . 34941 1 6 . 1 . 1 2 2 GLU HA H 1 4.277 0.005979130371 . 1 . . . . A 2 GLU HA . 34941 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.005571429 0.002194613071 . 2 . . . . A 2 GLU HB2 . 34941 1 8 . 1 . 1 2 2 GLU HB3 H 1 2.185111111 0.001196703291 . 2 . . . . A 2 GLU HB3 . 34941 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.338 0.001118033989 . 2 . . . . A 2 GLU HG2 . 34941 1 10 . 1 . 1 2 2 GLU HG3 H 1 2.396125 0.001268611446 . 2 . . . . A 2 GLU HG3 . 34941 1 11 . 1 . 1 3 3 GLU H H 1 9.064875 0.001763341994 . 1 . . . . A 3 GLU H . 34941 1 12 . 1 . 1 3 3 GLU HA H 1 4.2479 0.003832753578 . 1 . . . . A 3 GLU HA . 34941 1 13 . 1 . 1 3 3 GLU HB2 H 1 2.108666667 0.003197221016 . 2 . . . . A 3 GLU HB2 . 34941 1 14 . 1 . 1 3 3 GLU HB3 H 1 2.108666667 0.003197221015 . 2 . . . . A 3 GLU HB3 . 34941 1 15 . 1 . 1 3 3 GLU HG2 H 1 2.329125 0.003620687089 . 2 . . . . A 3 GLU HG2 . 34941 1 16 . 1 . 1 3 3 GLU HG3 H 1 2.329125 0.003620687089 . 2 . . . . A 3 GLU HG3 . 34941 1 17 . 1 . 1 4 4 CYS H H 1 8.763 0.002976095242 . 1 . . . . A 4 CYS H . 34941 1 18 . 1 . 1 4 4 CYS HA H 1 4.4212 0.003487119155 . 1 . . . . A 4 CYS HA . 34941 1 19 . 1 . 1 4 4 CYS HB2 H 1 2.925777778 0.002858817851 . 2 . . . . A 4 CYS HB2 . 34941 1 20 . 1 . 1 4 4 CYS HB3 H 1 3.3725 0.002692582403 . 2 . . . . A 4 CYS HB3 . 34941 1 21 . 1 . 1 5 5 VAL H H 1 7.778285714 0.00246195542 . 1 . . . . A 5 VAL H . 34941 1 22 . 1 . 1 5 5 VAL HA H 1 3.719857143 0.002386184727 . 1 . . . . A 5 VAL HA . 34941 1 23 . 1 . 1 5 5 VAL HB H 1 2.158 0.001414213563 . 1 . . . . A 5 VAL HB . 34941 1 24 . 1 . 1 5 5 VAL HG11 H 1 0.9890909091 0.002502890891 . 2 . . . . A 5 VAL HG11 . 34941 1 25 . 1 . 1 5 5 VAL HG12 H 1 0.9890909091 0.002502890891 . 2 . . . . A 5 VAL HG12 . 34941 1 26 . 1 . 1 5 5 VAL HG13 H 1 0.9890909091 0.002502890891 . 2 . . . . A 5 VAL HG13 . 34941 1 27 . 1 . 1 5 5 VAL HG21 H 1 1.038333333 0.001920648039 . 2 . . . . A 5 VAL HG21 . 34941 1 28 . 1 . 1 5 5 VAL HG22 H 1 1.038333333 0.001920648039 . 2 . . . . A 5 VAL HG22 . 34941 1 29 . 1 . 1 5 5 VAL HG23 H 1 1.038333333 0.001920648039 . 2 . . . . A 5 VAL HG23 . 34941 1 30 . 1 . 1 6 6 ARG H H 1 7.890222222 0.002199887772 . 1 . . . . A 6 ARG H . 34941 1 31 . 1 . 1 6 6 ARG HA H 1 4.061823529 0.002120912515 . 1 . . . . A 6 ARG HA . 34941 1 32 . 1 . 1 6 6 ARG HB2 H 1 1.948875 0.002758509561 . 2 . . . . A 6 ARG HB2 . 34941 1 33 . 1 . 1 6 6 ARG HB3 H 1 1.99475 0.00408503366 . 2 . . . . A 6 ARG HB3 . 34941 1 34 . 1 . 1 6 6 ARG HG2 H 1 1.616 0.003605551276 . 2 . . . . A 6 ARG HG2 . 34941 1 35 . 1 . 1 6 6 ARG HG3 H 1 1.748625 0.003388860428 . 2 . . . . A 6 ARG HG3 . 34941 1 36 . 1 . 1 6 6 ARG HD2 H 1 3.222 0.002569046516 . 2 . . . . A 6 ARG HD2 . 34941 1 37 . 1 . 1 6 6 ARG HD3 H 1 3.3124 0.002416609195 . 2 . . . . A 6 ARG HD3 . 34941 1 38 . 1 . 1 7 7 LEU H H 1 8.568388889 0.002111841984 . 1 . . . . A 7 LEU H . 34941 1 39 . 1 . 1 7 7 LEU HA H 1 4.148153846 0.001702764895 . 1 . . . . A 7 LEU HA . 34941 1 40 . 1 . 1 7 7 LEU HB2 H 1 1.322846154 0.00478533262 . 2 . . . . A 7 LEU HB2 . 34941 1 41 . 1 . 1 7 7 LEU HB3 H 1 2.033714286 0.001030157508 . 2 . . . . A 7 LEU HB3 . 34941 1 42 . 1 . 1 7 7 LEU HG H 1 1.89225 0.002586020108 . 1 . . . . A 7 LEU HG . 34941 1 43 . 1 . 1 7 7 LEU HD11 H 1 0.9183571429 0.004623034607 . 2 . . . . A 7 LEU HD11 . 34941 1 44 . 1 . 1 7 7 LEU HD12 H 1 0.9183571429 0.004623034607 . 2 . . . . A 7 LEU HD12 . 34941 1 45 . 1 . 1 7 7 LEU HD13 H 1 0.9183571429 0.004623034607 . 2 . . . . A 7 LEU HD13 . 34941 1 46 . 1 . 1 7 7 LEU HD21 H 1 0.9183571429 0.004623034607 . 2 . . . . A 7 LEU HD21 . 34941 1 47 . 1 . 1 7 7 LEU HD22 H 1 0.9183571429 0.004623034607 . 2 . . . . A 7 LEU HD22 . 34941 1 48 . 1 . 1 7 7 LEU HD23 H 1 0.9183571429 0.004623034607 . 2 . . . . A 7 LEU HD23 . 34941 1 49 . 1 . 1 8 8 TYR H H 1 9.389882353 0.00224610389 . 1 . . . . A 8 TYR H . 34941 1 50 . 1 . 1 8 8 TYR HA H 1 3.998533333 0.00262974439 . 1 . . . . A 8 TYR HA . 34941 1 51 . 1 . 1 8 8 TYR HB2 H 1 3.245461538 0.001946017021 . 2 . . . . A 8 TYR HB2 . 34941 1 52 . 1 . 1 8 8 TYR HB3 H 1 3.2888125 0.00477256155 . 2 . . . . A 8 TYR HB3 . 34941 1 53 . 1 . 1 8 8 TYR HD1 H 1 7.031447368 0.002086262946 . 3 . . . . A 8 TYR HD1 . 34941 1 54 . 1 . 1 8 8 TYR HD2 H 1 7.031447368 0.002086262946 . 3 . . . . A 8 TYR HD2 . 34941 1 55 . 1 . 1 8 8 TYR HE1 H 1 6.84025 0.001541103496 . 3 . . . . A 8 TYR HE1 . 34941 1 56 . 1 . 1 8 8 TYR HE2 H 1 6.84025 0.001541103496 . 3 . . . . A 8 TYR HE2 . 34941 1 57 . 1 . 1 9 9 ILE H H 1 8.493117647 0.001744987885 . 1 . . . . A 9 ILE H . 34941 1 58 . 1 . 1 9 9 ILE HA H 1 3.768444444 0.002165954297 . 1 . . . . A 9 ILE HA . 34941 1 59 . 1 . 1 9 9 ILE HB H 1 2.0392 0.0009797958978 . 1 . . . . A 9 ILE HB . 34941 1 60 . 1 . 1 9 9 ILE HG12 H 1 1.318375 0.001653594569 . 2 . . . . A 9 ILE HG12 . 34941 1 61 . 1 . 1 9 9 ILE HG13 H 1 1.9865 0.0008237544715 . 2 . . . . A 9 ILE HG13 . 34941 1 62 . 1 . 1 9 9 ILE HG21 H 1 0.9688 0.002441311123 . 1 . . . . A 9 ILE HG21 . 34941 1 63 . 1 . 1 9 9 ILE HG22 H 1 0.9688 0.002441311123 . 1 . . . . A 9 ILE HG22 . 34941 1 64 . 1 . 1 9 9 ILE HG23 H 1 0.9688 0.002441311123 . 1 . . . . A 9 ILE HG23 . 34941 1 65 . 1 . 1 9 9 ILE HD11 H 1 0.9337777778 0.003705184889 . 1 . . . . A 9 ILE HD11 . 34941 1 66 . 1 . 1 9 9 ILE HD12 H 1 0.9337777778 0.003705184889 . 1 . . . . A 9 ILE HD12 . 34941 1 67 . 1 . 1 9 9 ILE HD13 H 1 0.9337777778 0.003705184889 . 1 . . . . A 9 ILE HD13 . 34941 1 68 . 1 . 1 10 10 GLN H H 1 7.607444444 0.001706921279 . 1 . . . . A 10 GLN H . 34941 1 69 . 1 . 1 10 10 GLN HA H 1 3.9313 0.00228254244 . 1 . . . . A 10 GLN HA . 34941 1 70 . 1 . 1 10 10 GLN HB2 H 1 2.145 0.002828427125 . 2 . . . . A 10 GLN HB2 . 34941 1 71 . 1 . 1 10 10 GLN HB3 H 1 2.251888889 0.001791612833 . 2 . . . . A 10 GLN HB3 . 34941 1 72 . 1 . 1 10 10 GLN HG2 H 1 2.372222222 0.001872477728 . 2 . . . . A 10 GLN HG2 . 34941 1 73 . 1 . 1 10 10 GLN HG3 H 1 2.471 0.005887840578 . 2 . . . . A 10 GLN HG3 . 34941 1 74 . 1 . 1 10 10 GLN HE21 H 1 7.9592 0.001248999597 . 1 . . . . A 10 GLN HE21 . 34941 1 75 . 1 . 1 10 10 GLN HE22 H 1 7.141333333 0.001563471916 . 1 . . . . A 10 GLN HE22 . 34941 1 76 . 1 . 1 11 11 TRP H H 1 8.319730769 0.001317272618 . 1 . . . . A 11 TRP H . 34941 1 77 . 1 . 1 11 11 TRP HA H 1 4.248888889 0.002182986968 . 1 . . . . A 11 TRP HA . 34941 1 78 . 1 . 1 11 11 TRP HB2 H 1 3.094 0.00146385011 . 2 . . . . A 11 TRP HB2 . 34941 1 79 . 1 . 1 11 11 TRP HB3 H 1 3.5275 0.003111040249 . 2 . . . . A 11 TRP HB3 . 34941 1 80 . 1 . 1 11 11 TRP HD1 H 1 6.954666667 0.001624465719 . 1 . . . . A 11 TRP HD1 . 34941 1 81 . 1 . 1 11 11 TRP HE1 H 1 9.636578947 0.001227568806 . 1 . . . . A 11 TRP HE1 . 34941 1 82 . 1 . 1 11 11 TRP HE3 H 1 6.889346154 0.001752850582 . 1 . . . . A 11 TRP HE3 . 34941 1 83 . 1 . 1 11 11 TRP HZ2 H 1 7.154041667 0.001695070465 . 1 . . . . A 11 TRP HZ2 . 34941 1 84 . 1 . 1 11 11 TRP HZ3 H 1 7.11352381 0.002259773436 . 1 . . . . A 11 TRP HZ3 . 34941 1 85 . 1 . 1 11 11 TRP HH2 H 1 7.214433333 0.003648591814 . 1 . . . . A 11 TRP HH2 . 34941 1 86 . 1 . 1 12 12 LEU H H 1 8.617722222 0.002255993393 . 1 . . . . A 12 LEU H . 34941 1 87 . 1 . 1 12 12 LEU HA H 1 3.418625 0.002146945506 . 1 . . . . A 12 LEU HA . 34941 1 88 . 1 . 1 12 12 LEU HB2 H 1 1.344 0.00269679945 . 2 . . . . A 12 LEU HB2 . 34941 1 89 . 1 . 1 12 12 LEU HB3 H 1 2.0694 0.004363484846 . 2 . . . . A 12 LEU HB3 . 34941 1 90 . 1 . 1 12 12 LEU HG H 1 1.840133333 0.002729265266 . 1 . . . . A 12 LEU HG . 34941 1 91 . 1 . 1 12 12 LEU HD11 H 1 0.8661428571 0.001833178719 . 2 . . . . A 12 LEU HD11 . 34941 1 92 . 1 . 1 12 12 LEU HD12 H 1 0.8661428571 0.001833178719 . 2 . . . . A 12 LEU HD12 . 34941 1 93 . 1 . 1 12 12 LEU HD13 H 1 0.8661428571 0.001833178719 . 2 . . . . A 12 LEU HD13 . 34941 1 94 . 1 . 1 12 12 LEU HD21 H 1 1.063764706 0.00226298636 . 2 . . . . A 12 LEU HD21 . 34941 1 95 . 1 . 1 12 12 LEU HD22 H 1 1.063764706 0.00226298636 . 2 . . . . A 12 LEU HD22 . 34941 1 96 . 1 . 1 12 12 LEU HD23 H 1 1.063764706 0.00226298636 . 2 . . . . A 12 LEU HD23 . 34941 1 97 . 1 . 1 13 13 LYS H H 1 8.250235294 0.001476458878 . 1 . . . . A 13 LYS H . 34941 1 98 . 1 . 1 13 13 LYS HA H 1 3.938909091 0.004832739585 . 1 . . . . A 13 LYS HA . 34941 1 99 . 1 . 1 13 13 LYS HB2 H 1 1.965692308 0.001936873586 . 2 . . . . A 13 LYS HB2 . 34941 1 100 . 1 . 1 13 13 LYS HB3 H 1 1.965692308 0.001936873586 . 2 . . . . A 13 LYS HB3 . 34941 1 101 . 1 . 1 13 13 LYS HG2 H 1 1.442714286 0.002050385728 . 2 . . . . A 13 LYS HG2 . 34941 1 102 . 1 . 1 13 13 LYS HG3 H 1 1.442714286 0.002050385728 . 2 . . . . A 13 LYS HG3 . 34941 1 103 . 1 . 1 13 13 LYS HD2 H 1 1.578888889 0.002282515398 . 2 . . . . A 13 LYS HD2 . 34941 1 104 . 1 . 1 13 13 LYS HD3 H 1 1.6416 0.0022 . 2 . . . . A 13 LYS HD3 . 34941 1 105 . 1 . 1 13 13 LYS HE2 H 1 2.918 0.002828427125 . 2 . . . . A 13 LYS HE2 . 34941 1 106 . 1 . 1 13 13 LYS HE3 H 1 2.964 0.001224744871 . 2 . . . . A 13 LYS HE3 . 34941 1 107 . 1 . 1 14 14 ASP H H 1 8.029333333 0.002321398038 . 1 . . . . A 14 ASP H . 34941 1 108 . 1 . 1 14 14 ASP HA H 1 4.5145 0.004716990566 . 1 . . . . A 14 ASP HA . 34941 1 109 . 1 . 1 14 14 ASP HB2 H 1 2.7601 0.00287923601 . 2 . . . . A 14 ASP HB2 . 34941 1 110 . 1 . 1 14 14 ASP HB3 H 1 2.956 0.001414213561 . 2 . . . . A 14 ASP HB3 . 34941 1 111 . 1 . 1 15 15 GLY H H 1 7.550214286 0.00242541812 . 1 . . . . A 15 GLY H . 34941 1 112 . 1 . 1 15 15 GLY HA2 H 1 3.446666667 0.003771236166 . 2 . . . . A 15 GLY HA2 . 34941 1 113 . 1 . 1 15 15 GLY HA3 H 1 4.189428571 0.002770102776 . 2 . . . . A 15 GLY HA3 . 34941 1 114 . 1 . 1 16 16 GLY H H 1 8.6218 0.00314536696 . 1 . . . . A 16 GLY H . 34941 1 115 . 1 . 1 16 16 GLY HA2 H 1 0.5204375 0.00327812351 . 2 . . . . A 16 GLY HA2 . 34941 1 116 . 1 . 1 16 16 GLY HA3 H 1 3.13247619 0.003995462278 . 2 . . . . A 16 GLY HA3 . 34941 1 117 . 1 . 1 17 17 PRO HA H 1 4.653363636 0.005227075095 . 1 . . . . A 17 PRO HA . 34941 1 118 . 1 . 1 17 17 PRO HB2 H 1 2.077333333 0.004 . 2 . . . . A 17 PRO HB2 . 34941 1 119 . 1 . 1 17 17 PRO HB3 H 1 2.539875 0.002666341126 . 2 . . . . A 17 PRO HB3 . 34941 1 120 . 1 . 1 17 17 PRO HG2 H 1 2.192076923 0.003099914104 . 2 . . . . A 17 PRO HG2 . 34941 1 121 . 1 . 1 17 17 PRO HG3 H 1 2.192076923 0.003099914104 . 2 . . . . A 17 PRO HG3 . 34941 1 122 . 1 . 1 17 17 PRO HD2 H 1 3.483846154 0.002281907227 . 2 . . . . A 17 PRO HD2 . 34941 1 123 . 1 . 1 17 17 PRO HD3 H 1 3.855 0.004523443208 . 2 . . . . A 17 PRO HD3 . 34941 1 124 . 1 . 1 18 18 SER H H 1 7.724307692 0.001434981396 . 1 . . . . A 18 SER H . 34941 1 125 . 1 . 1 18 18 SER HA H 1 4.495166667 0.001674979271 . 1 . . . . A 18 SER HA . 34941 1 126 . 1 . 1 18 18 SER HB2 H 1 3.919333333 0.0004714045177 . 2 . . . . A 18 SER HB2 . 34941 1 127 . 1 . 1 18 18 SER HB3 H 1 3.959666667 0.002867441755 . 2 . . . . A 18 SER HB3 . 34941 1 128 . 1 . 1 19 19 SER H H 1 8.276142857 0.001301490516 . 1 . . . . A 19 SER H . 34941 1 129 . 1 . 1 19 19 SER HA H 1 4.117666667 0.003399346342 . 1 . . . . A 19 SER HA . 34941 1 130 . 1 . 1 19 19 SER HB2 H 1 3.443916667 0.002782634642 . 2 . . . . A 19 SER HB2 . 34941 1 131 . 1 . 1 19 19 SER HB3 H 1 3.844428571 0.003133101742 . 2 . . . . A 19 SER HB3 . 34941 1 132 . 1 . 1 19 19 SER HG H 1 4.631583333 0.002871072197 . 1 . . . . A 19 SER HG . 34941 1 133 . 1 . 1 20 20 GLY H H 1 7.981909091 0.00420939524 . 1 . . . . A 20 GLY H . 34941 1 134 . 1 . 1 20 20 GLY HA2 H 1 3.784666667 0.003771236166 . 2 . . . . A 20 GLY HA2 . 34941 1 135 . 1 . 1 20 20 GLY HA3 H 1 4.318666667 0.001247219129 . 2 . . . . A 20 GLY HA3 . 34941 1 136 . 1 . 1 21 21 ARG H H 1 8.196 0.001968501966 . 1 . . . . A 21 ARG H . 34941 1 137 . 1 . 1 21 21 ARG HA H 1 5.1027 0.0008999999958 . 1 . . . . A 21 ARG HA . 34941 1 138 . 1 . 1 21 21 ARG HB2 H 1 1.832777778 0.004916588198 . 2 . . . . A 21 ARG HB2 . 34941 1 139 . 1 . 1 21 21 ARG HB3 H 1 1.920875 0.001363589014 . 2 . . . . A 21 ARG HB3 . 34941 1 140 . 1 . 1 21 21 ARG HG2 H 1 1.640461538 0.002023530221 . 2 . . . . A 21 ARG HG2 . 34941 1 141 . 1 . 1 21 21 ARG HG3 H 1 1.78875 0.001785357107 . 2 . . . . A 21 ARG HG3 . 34941 1 142 . 1 . 1 21 21 ARG HD2 H 1 3.213363636 0.004922540498 . 2 . . . . A 21 ARG HD2 . 34941 1 143 . 1 . 1 21 21 ARG HD3 H 1 3.3154 0.001959591794 . 2 . . . . A 21 ARG HD3 . 34941 1 144 . 1 . 1 21 21 ARG HE H 1 7.804857143 0.001124858269 . 1 . . . . A 21 ARG HE . 34941 1 145 . 1 . 1 22 22 PRO HA H 1 4.788538462 0.00182357994 . 1 . . . . A 22 PRO HA . 34941 1 146 . 1 . 1 22 22 PRO HB2 H 1 1.771833333 0.001863389981 . 2 . . . . A 22 PRO HB2 . 34941 1 147 . 1 . 1 22 22 PRO HB3 H 1 2.353375 0.002689679349 . 2 . . . . A 22 PRO HB3 . 34941 1 148 . 1 . 1 22 22 PRO HG2 H 1 1.932571429 0.001916629695 . 2 . . . . A 22 PRO HG2 . 34941 1 149 . 1 . 1 22 22 PRO HG3 H 1 1.999142857 0.0009897433181 . 2 . . . . A 22 PRO HG3 . 34941 1 150 . 1 . 1 22 22 PRO HD2 H 1 3.658888889 0.002282515399 . 2 . . . . A 22 PRO HD2 . 34941 1 151 . 1 . 1 22 22 PRO HD3 H 1 3.8579 0.001868154169 . 2 . . . . A 22 PRO HD3 . 34941 1 152 . 1 . 1 23 23 PRO HA H 1 2.1986 0.004990657939 . 1 . . . . A 23 PRO HA . 34941 1 153 . 1 . 1 23 23 PRO HB2 H 1 0.4612142857 0.004245646029 . 2 . . . . A 23 PRO HB2 . 34941 1 154 . 1 . 1 23 23 PRO HB3 H 1 1.427133333 0.003283629428 . 2 . . . . A 23 PRO HB3 . 34941 1 155 . 1 . 1 23 23 PRO HG2 H 1 1.703 0.0138443731 . 2 . . . . A 23 PRO HG2 . 34941 1 156 . 1 . 1 23 23 PRO HG3 H 1 1.771888889 0.002078698548 . 2 . . . . A 23 PRO HG3 . 34941 1 157 . 1 . 1 23 23 PRO HD2 H 1 3.509818182 0.004018552019 . 2 . . . . A 23 PRO HD2 . 34941 1 158 . 1 . 1 23 23 PRO HD3 H 1 3.549555556 0.001949992088 . 2 . . . . A 23 PRO HD3 . 34941 1 159 . 1 . 1 24 24 PRO HA H 1 4.21175 0.002046338193 . 1 . . . . A 24 PRO HA . 34941 1 160 . 1 . 1 24 24 PRO HB2 H 1 1.955466667 0.005314968381 . 2 . . . . A 24 PRO HB2 . 34941 1 161 . 1 . 1 24 24 PRO HB3 H 1 2.261454545 0.001876342495 . 2 . . . . A 24 PRO HB3 . 34941 1 162 . 1 . 1 24 24 PRO HG2 H 1 1.78875 0.002106537443 . 2 . . . . A 24 PRO HG2 . 34941 1 163 . 1 . 1 24 24 PRO HG3 H 1 1.885142857 0.003757984697 . 2 . . . . A 24 PRO HG3 . 34941 1 164 . 1 . 1 24 24 PRO HD2 H 1 2.8058 0.002541653005 . 2 . . . . A 24 PRO HD2 . 34941 1 165 . 1 . 1 24 24 PRO HD3 H 1 2.974842105 0.00462559422 . 2 . . . . A 24 PRO HD3 . 34941 1 166 . 1 . 1 25 25 CYS H H 1 7.676266667 0.002112397269 . 1 . . . . A 25 CYS H . 34941 1 167 . 1 . 1 25 25 CYS HA H 1 4.128285714 0.004233009255 . 1 . . . . A 25 CYS HA . 34941 1 168 . 1 . 1 25 25 CYS HB2 H 1 3.326 0.002160246899 . 2 . . . . A 25 CYS HB2 . 34941 1 169 . 1 . 1 25 25 CYS HB3 H 1 3.733 0.004301162633 . 2 . . . . A 25 CYS HB3 . 34941 1 stop_ save_