################################### # 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 34943 _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' . . . 34943 1 2 '2D 1H-1H TOCSY' . . . 34943 1 3 '2D 1H-1H NOESY' . . . 34943 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 3.963666667 0.0004714045215 . 1 . . . . A 1 GLU HA . 34943 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.0515 0.0005000000003 . 2 . . . . A 1 GLU HB2 . 34943 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.1055 0.0005000000003 . 2 . . . . A 1 GLU HB3 . 34943 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.348333333 0.00124721913 . 2 . . . . A 1 GLU HG2 . 34943 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.348333333 0.001247219129 . 2 . . . . A 1 GLU HG3 . 34943 1 6 . 1 . 1 2 2 GLU HA H 1 4.286714286 0.001749635529 . 1 . . . . A 2 GLU HA . 34943 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.006333333 0.002624669291 . 2 . . . . A 2 GLU HB2 . 34943 1 8 . 1 . 1 2 2 GLU HB3 H 1 2.1605 0.0015 . 2 . . . . A 2 GLU HB3 . 34943 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.3365 0.0025 . 2 . . . . A 2 GLU HG2 . 34943 1 10 . 1 . 1 3 3 GLU H H 1 8.989285714 0.001979486639 . 1 . . . . A 3 GLU H . 34943 1 11 . 1 . 1 3 3 GLU HA H 1 4.2233 0.002238302929 . 1 . . . . A 3 GLU HA . 34943 1 12 . 1 . 1 3 3 GLU HB2 H 1 2.099571429 0.002969229956 . 2 . . . . A 3 GLU HB2 . 34943 1 13 . 1 . 1 3 3 GLU HB3 H 1 2.099571429 0.002969229956 . 2 . . . . A 3 GLU HB3 . 34943 1 14 . 1 . 1 3 3 GLU HG2 H 1 2.3245 0.002291287848 . 2 . . . . A 3 GLU HG2 . 34943 1 15 . 1 . 1 3 3 GLU HG3 H 1 2.3245 0.002291287847 . 2 . . . . A 3 GLU HG3 . 34943 1 16 . 1 . 1 4 4 CYS H H 1 8.7064 0.002653299838 . 1 . . . . A 4 CYS H . 34943 1 17 . 1 . 1 4 4 CYS HA H 1 4.4230625 0.002536452985 . 1 . . . . A 4 CYS HA . 34943 1 18 . 1 . 1 4 4 CYS HB2 H 1 2.917375 0.003351771919 . 2 . . . . A 4 CYS HB2 . 34943 1 19 . 1 . 1 4 4 CYS HB3 H 1 3.3745 0.002061552813 . 2 . . . . A 4 CYS HB3 . 34943 1 20 . 1 . 1 5 5 VAL H H 1 7.779636364 0.001366663307 . 1 . . . . A 5 VAL H . 34943 1 21 . 1 . 1 5 5 VAL HA H 1 3.716272727 0.003249920532 . 1 . . . . A 5 VAL HA . 34943 1 22 . 1 . 1 5 5 VAL HB H 1 2.160333333 0.001885618084 . 1 . . . . A 5 VAL HB . 34943 1 23 . 1 . 1 5 5 VAL HG11 H 1 0.9871428571 0.002263282788 . 2 . . . . A 5 VAL HG11 . 34943 1 24 . 1 . 1 5 5 VAL HG12 H 1 0.9871428571 0.002263282788 . 2 . . . . A 5 VAL HG12 . 34943 1 25 . 1 . 1 5 5 VAL HG13 H 1 0.9871428571 0.002263282788 . 2 . . . . A 5 VAL HG13 . 34943 1 26 . 1 . 1 5 5 VAL HG21 H 1 1.037 0.002033060091 . 2 . . . . A 5 VAL HG21 . 34943 1 27 . 1 . 1 5 5 VAL HG22 H 1 1.037 0.002033060091 . 2 . . . . A 5 VAL HG22 . 34943 1 28 . 1 . 1 5 5 VAL HG23 H 1 1.037 0.002033060091 . 2 . . . . A 5 VAL HG23 . 34943 1 29 . 1 . 1 6 6 ARG H H 1 7.808842105 0.001530846277 . 1 . . . . A 6 ARG H . 34943 1 30 . 1 . 1 6 6 ARG HA H 1 4.059529412 0.002789004609 . 1 . . . . A 6 ARG HA . 34943 1 31 . 1 . 1 6 6 ARG HB2 H 1 1.954125 0.001536025716 . 2 . . . . A 6 ARG HB2 . 34943 1 32 . 1 . 1 6 6 ARG HB3 H 1 1.98075 0.002680951324 . 2 . . . . A 6 ARG HB3 . 34943 1 33 . 1 . 1 6 6 ARG HG2 H 1 1.619 0.001603567451 . 2 . . . . A 6 ARG HG2 . 34943 1 34 . 1 . 1 6 6 ARG HG3 H 1 1.7535 0.003122498999 . 2 . . . . A 6 ARG HG3 . 34943 1 35 . 1 . 1 6 6 ARG HD2 H 1 3.217714286 0.004333071682 . 2 . . . . A 6 ARG HD2 . 34943 1 36 . 1 . 1 6 6 ARG HD3 H 1 3.297571429 0.001916629696 . 2 . . . . A 6 ARG HD3 . 34943 1 37 . 1 . 1 7 7 LEU H H 1 8.445642857 0.001230977711 . 1 . . . . A 7 LEU H . 34943 1 38 . 1 . 1 7 7 LEU HA H 1 4.1454 0.003006659276 . 1 . . . . A 7 LEU HA . 34943 1 39 . 1 . 1 7 7 LEU HB2 H 1 1.321 0.00240370085 . 2 . . . . A 7 LEU HB2 . 34943 1 40 . 1 . 1 7 7 LEU HB3 H 1 2.029 0.001095445114 . 2 . . . . A 7 LEU HB3 . 34943 1 41 . 1 . 1 7 7 LEU HG H 1 1.877545455 0.005678726431 . 1 . . . . A 7 LEU HG . 34943 1 42 . 1 . 1 7 7 LEU HD11 H 1 0.91525 0.002633913438 . 2 . . . . A 7 LEU HD11 . 34943 1 43 . 1 . 1 7 7 LEU HD12 H 1 0.91525 0.002633913438 . 2 . . . . A 7 LEU HD12 . 34943 1 44 . 1 . 1 7 7 LEU HD13 H 1 0.91525 0.002633913438 . 2 . . . . A 7 LEU HD13 . 34943 1 45 . 1 . 1 7 7 LEU HD21 H 1 0.91525 0.002633913438 . 2 . . . . A 7 LEU HD21 . 34943 1 46 . 1 . 1 7 7 LEU HD22 H 1 0.91525 0.002633913438 . 2 . . . . A 7 LEU HD22 . 34943 1 47 . 1 . 1 7 7 LEU HD23 H 1 0.91525 0.002633913438 . 2 . . . . A 7 LEU HD23 . 34943 1 48 . 1 . 1 8 8 TYR H H 1 9.361722222 0.001789026922 . 1 . . . . A 8 TYR H . 34943 1 49 . 1 . 1 8 8 TYR HA H 1 3.9935 0.002474873735 . 1 . . . . A 8 TYR HA . 34943 1 50 . 1 . 1 8 8 TYR HB2 H 1 3.2511 0.002754995463 . 2 . . . . A 8 TYR HB2 . 34943 1 51 . 1 . 1 8 8 TYR HB3 H 1 3.251333333 0.002884000748 . 2 . . . . A 8 TYR HB3 . 34943 1 52 . 1 . 1 8 8 TYR HD1 H 1 7.008545455 0.001103463115 . 3 . . . . A 8 TYR HD1 . 34943 1 53 . 1 . 1 8 8 TYR HD2 H 1 7.008545455 0.001103463115 . 3 . . . . A 8 TYR HD2 . 34943 1 54 . 1 . 1 8 8 TYR HE1 H 1 6.826954545 0.001551458927 . 3 . . . . A 8 TYR HE1 . 34943 1 55 . 1 . 1 8 8 TYR HE2 H 1 6.826954545 0.001551458927 . 3 . . . . A 8 TYR HE2 . 34943 1 56 . 1 . 1 9 9 ILE H H 1 8.476875 0.003079671251 . 1 . . . . A 9 ILE H . 34943 1 57 . 1 . 1 9 9 ILE HA H 1 3.7665 0.001802775639 . 1 . . . . A 9 ILE HA . 34943 1 58 . 1 . 1 9 9 ILE HB H 1 2.042214286 0.006108291454 . 1 . . . . A 9 ILE HB . 34943 1 59 . 1 . 1 9 9 ILE HG12 H 1 1.3295 0.002322252601 . 2 . . . . A 9 ILE HG12 . 34943 1 60 . 1 . 1 9 9 ILE HG13 H 1 1.967357143 0.002317854391 . 2 . . . . A 9 ILE HG13 . 34943 1 61 . 1 . 1 9 9 ILE HG21 H 1 0.951 0.004472135955 . 1 . . . . A 9 ILE HG21 . 34943 1 62 . 1 . 1 9 9 ILE HG22 H 1 0.951 0.004472135955 . 1 . . . . A 9 ILE HG22 . 34943 1 63 . 1 . 1 9 9 ILE HG23 H 1 0.951 0.004472135955 . 1 . . . . A 9 ILE HG23 . 34943 1 64 . 1 . 1 9 9 ILE HD11 H 1 0.9228888889 0.003446236093 . 1 . . . . A 9 ILE HD11 . 34943 1 65 . 1 . 1 9 9 ILE HD12 H 1 0.9228888889 0.003446236093 . 1 . . . . A 9 ILE HD12 . 34943 1 66 . 1 . 1 9 9 ILE HD13 H 1 0.9228888889 0.003446236093 . 1 . . . . A 9 ILE HD13 . 34943 1 67 . 1 . 1 10 10 GLN H H 1 7.585631579 0.001529035693 . 1 . . . . A 10 GLN H . 34943 1 68 . 1 . 1 10 10 GLN HA H 1 3.915076923 0.002200053792 . 1 . . . . A 10 GLN HA . 34943 1 69 . 1 . 1 10 10 GLN HB2 H 1 2.1522 0.002821347196 . 2 . . . . A 10 GLN HB2 . 34943 1 70 . 1 . 1 10 10 GLN HB3 H 1 2.237333333 0.008151346174 . 2 . . . . A 10 GLN HB3 . 34943 1 71 . 1 . 1 10 10 GLN HG2 H 1 2.38625 0.001198957881 . 2 . . . . A 10 GLN HG2 . 34943 1 72 . 1 . 1 10 10 GLN HG3 H 1 2.455875 0.002368411915 . 2 . . . . A 10 GLN HG3 . 34943 1 73 . 1 . 1 10 10 GLN HE21 H 1 7.881285714 0.001484614987 . 1 . . . . A 10 GLN HE21 . 34943 1 74 . 1 . 1 10 10 GLN HE22 H 1 7.036875 0.00078062475 . 1 . . . . A 10 GLN HE22 . 34943 1 75 . 1 . 1 11 11 TRP H H 1 8.269 0.003306559137 . 1 . . . . A 11 TRP H . 34943 1 76 . 1 . 1 11 11 TRP HA H 1 4.2381 0.004678675026 . 1 . . . . A 11 TRP HA . 34943 1 77 . 1 . 1 11 11 TRP HB2 H 1 3.093066667 0.002264705033 . 2 . . . . A 11 TRP HB2 . 34943 1 78 . 1 . 1 11 11 TRP HB3 H 1 3.533066667 0.01020762242 . 2 . . . . A 11 TRP HB3 . 34943 1 79 . 1 . 1 11 11 TRP HD1 H 1 6.952529412 0.001377023512 . 1 . . . . A 11 TRP HD1 . 34943 1 80 . 1 . 1 11 11 TRP HE1 H 1 9.598833333 0.001213351654 . 1 . . . . A 11 TRP HE1 . 34943 1 81 . 1 . 1 11 11 TRP HE3 H 1 6.906909091 0.001275969897 . 1 . . . . A 11 TRP HE3 . 34943 1 82 . 1 . 1 11 11 TRP HZ2 H 1 7.151764706 0.002015510788 . 1 . . . . A 11 TRP HZ2 . 34943 1 83 . 1 . 1 11 11 TRP HZ3 H 1 7.091692308 0.0008213137196 . 1 . . . . A 11 TRP HZ3 . 34943 1 84 . 1 . 1 11 11 TRP HH2 H 1 7.201294118 0.001176470587 . 1 . . . . A 11 TRP HH2 . 34943 1 85 . 1 . 1 12 12 LEU H H 1 8.597555556 0.00231474074 . 1 . . . . A 12 LEU H . 34943 1 86 . 1 . 1 12 12 LEU HA H 1 3.405090909 0.004144098662 . 1 . . . . A 12 LEU HA . 34943 1 87 . 1 . 1 12 12 LEU HB2 H 1 1.349230769 0.003141627363 . 2 . . . . A 12 LEU HB2 . 34943 1 88 . 1 . 1 12 12 LEU HB3 H 1 2.062083333 0.002628635049 . 2 . . . . A 12 LEU HB3 . 34943 1 89 . 1 . 1 12 12 LEU HG H 1 1.849583333 0.002660148283 . 1 . . . . A 12 LEU HG . 34943 1 90 . 1 . 1 12 12 LEU HD11 H 1 0.8568947368 0.001483052927 . 2 . . . . A 12 LEU HD11 . 34943 1 91 . 1 . 1 12 12 LEU HD12 H 1 0.8568947368 0.001483052927 . 2 . . . . A 12 LEU HD12 . 34943 1 92 . 1 . 1 12 12 LEU HD13 H 1 0.8568947368 0.001483052927 . 2 . . . . A 12 LEU HD13 . 34943 1 93 . 1 . 1 12 12 LEU HD21 H 1 1.048045455 0.002721584978 . 2 . . . . A 12 LEU HD21 . 34943 1 94 . 1 . 1 12 12 LEU HD22 H 1 1.048045455 0.002721584978 . 2 . . . . A 12 LEU HD22 . 34943 1 95 . 1 . 1 12 12 LEU HD23 H 1 1.048045455 0.002721584978 . 2 . . . . A 12 LEU HD23 . 34943 1 96 . 1 . 1 13 13 LYS H H 1 8.273538462 0.002499704121 . 1 . . . . A 13 LYS H . 34943 1 97 . 1 . 1 13 13 LYS HA H 1 3.929363636 0.003053246476 . 1 . . . . A 13 LYS HA . 34943 1 98 . 1 . 1 13 13 LYS HB2 H 1 1.955909091 0.00274539434 . 2 . . . . A 13 LYS HB2 . 34943 1 99 . 1 . 1 13 13 LYS HB3 H 1 1.955909091 0.00274539434 . 2 . . . . A 13 LYS HB3 . 34943 1 100 . 1 . 1 13 13 LYS HG2 H 1 1.436428571 0.001049781319 . 2 . . . . A 13 LYS HG2 . 34943 1 101 . 1 . 1 13 13 LYS HG3 H 1 1.436428571 0.001049781318 . 2 . . . . A 13 LYS HG3 . 34943 1 102 . 1 . 1 13 13 LYS HD2 H 1 1.579555556 0.001832491389 . 2 . . . . A 13 LYS HD2 . 34943 1 103 . 1 . 1 13 13 LYS HD3 H 1 1.6357 0.001187434209 . 2 . . . . A 13 LYS HD3 . 34943 1 104 . 1 . 1 13 13 LYS HE2 H 1 2.903 0.0000000596 . 2 . . . . A 13 LYS HE2 . 34943 1 105 . 1 . 1 13 13 LYS HE3 H 1 2.9565 0.0004999999994 . 2 . . . . A 13 LYS HE3 . 34943 1 106 . 1 . 1 14 14 ASP H H 1 7.968 0.001549193329 . 1 . . . . A 14 ASP H . 34943 1 107 . 1 . 1 14 14 ASP HA H 1 4.5295 0.001118033992 . 1 . . . . A 14 ASP HA . 34943 1 108 . 1 . 1 14 14 ASP HB2 H 1 2.745125 0.001690968658 . 2 . . . . A 14 ASP HB2 . 34943 1 109 . 1 . 1 14 14 ASP HB3 H 1 2.930625 0.001576190026 . 2 . . . . A 14 ASP HB3 . 34943 1 110 . 1 . 1 15 15 GLY H H 1 7.524666667 0.002867441754 . 1 . . . . A 15 GLY H . 34943 1 111 . 1 . 1 15 15 GLY HA2 H 1 3.44975 0.002586020108 . 2 . . . . A 15 GLY HA2 . 34943 1 112 . 1 . 1 15 15 GLY HA3 H 1 4.1762 0.001939071943 . 2 . . . . A 15 GLY HA3 . 34943 1 113 . 1 . 1 16 16 GLY H H 1 8.582666667 0.002624669292 . 1 . . . . A 16 GLY H . 34943 1 114 . 1 . 1 16 16 GLY HA2 H 1 0.5806666667 0.003543381938 . 2 . . . . A 16 GLY HA2 . 34943 1 115 . 1 . 1 16 16 GLY HA3 H 1 3.093444444 0.00206080411 . 2 . . . . A 16 GLY HA3 . 34943 1 116 . 1 . 1 17 17 PRO HA H 1 4.626 0.004618802153 . 1 . . . . A 17 PRO HA . 34943 1 117 . 1 . 1 17 17 PRO HB2 H 1 2.067714286 0.001277753129 . 2 . . . . A 17 PRO HB2 . 34943 1 118 . 1 . 1 17 17 PRO HB3 H 1 2.538 0.002070196678 . 2 . . . . A 17 PRO HB3 . 34943 1 119 . 1 . 1 17 17 PRO HG3 H 1 2.1806 0.002059126028 . 2 . . . . A 17 PRO HG3 . 34943 1 120 . 1 . 1 17 17 PRO HD2 H 1 3.428727273 0.004453617714 . 2 . . . . A 17 PRO HD2 . 34943 1 121 . 1 . 1 17 17 PRO HD3 H 1 3.832818182 0.003009626429 . 2 . . . . A 17 PRO HD3 . 34943 1 122 . 1 . 1 18 18 SER H H 1 7.683111111 0.002233305687 . 1 . . . . A 18 SER H . 34943 1 123 . 1 . 1 18 18 SER HA H 1 4.4794 0.003261901286 . 1 . . . . A 18 SER HA . 34943 1 124 . 1 . 1 18 18 SER HB2 H 1 3.908 0.008485281374 . 2 . . . . A 18 SER HB2 . 34943 1 125 . 1 . 1 18 18 SER HB3 H 1 3.95725 0.005309190145 . 2 . . . . A 18 SER HB3 . 34943 1 126 . 1 . 1 19 19 SER H H 1 8.23025 0.001089724738 . 1 . . . . A 19 SER H . 34943 1 127 . 1 . 1 19 19 SER HA H 1 4.124 0.0008164965842 . 1 . . . . A 19 SER HA . 34943 1 128 . 1 . 1 19 19 SER HB2 H 1 3.461 0.002549509757 . 2 . . . . A 19 SER HB2 . 34943 1 129 . 1 . 1 19 19 SER HB3 H 1 3.844222222 0.004516089208 . 2 . . . . A 19 SER HB3 . 34943 1 130 . 1 . 1 19 19 SER HG H 1 4.664 0.0025 . 1 . . . . A 19 SER HG . 34943 1 131 . 1 . 1 20 20 GLY H H 1 7.918571429 0.001590789822 . 1 . . . . A 20 GLY H . 34943 1 132 . 1 . 1 20 20 GLY HA2 H 1 3.783 0.002160246899 . 2 . . . . A 20 GLY HA2 . 34943 1 133 . 1 . 1 20 20 GLY HA3 H 1 4.307 0.0008164965799 . 2 . . . . A 20 GLY HA3 . 34943 1 134 . 1 . 1 21 21 ARG H H 1 8.164 0.002000000005 . 1 . . . . A 21 ARG H . 34943 1 135 . 1 . 1 21 21 ARG HA H 1 5.0645 0.002012461178 . 1 . . . . A 21 ARG HA . 34943 1 136 . 1 . 1 21 21 ARG HB2 H 1 1.8077 0.004290687591 . 2 . . . . A 21 ARG HB2 . 34943 1 137 . 1 . 1 21 21 ARG HB3 H 1 1.906 0.002915475947 . 2 . . . . A 21 ARG HB3 . 34943 1 138 . 1 . 1 21 21 ARG HG2 H 1 1.643111111 0.003572874487 . 2 . . . . A 21 ARG HG2 . 34943 1 139 . 1 . 1 21 21 ARG HG3 H 1 1.643111111 0.003572874487 . 2 . . . . A 21 ARG HG3 . 34943 1 140 . 1 . 1 21 21 ARG HD2 H 1 3.226 0.003055050464 . 2 . . . . A 21 ARG HD2 . 34943 1 141 . 1 . 1 21 21 ARG HD3 H 1 3.31 0.002748737083 . 2 . . . . A 21 ARG HD3 . 34943 1 142 . 1 . 1 21 21 ARG HE H 1 7.705 0.002280350848 . 1 . . . . A 21 ARG HE . 34943 1 143 . 1 . 1 22 22 PRO HA H 1 4.7705 0.001443375675 . 1 . . . . A 22 PRO HA . 34943 1 144 . 1 . 1 22 22 PRO HB2 H 1 1.76975 0.005606915373 . 2 . . . . A 22 PRO HB2 . 34943 1 145 . 1 . 1 22 22 PRO HB3 H 1 2.3335 0.002692582403 . 2 . . . . A 22 PRO HB3 . 34943 1 146 . 1 . 1 22 22 PRO HG2 H 1 1.929 0.002309401077 . 2 . . . . A 22 PRO HG2 . 34943 1 147 . 1 . 1 22 22 PRO HG3 H 1 1.997285714 0.001905952009 . 2 . . . . A 22 PRO HG3 . 34943 1 148 . 1 . 1 22 22 PRO HD2 H 1 3.649444444 0.001892154041 . 2 . . . . A 22 PRO HD2 . 34943 1 149 . 1 . 1 22 22 PRO HD3 H 1 3.8464 0.002939387692 . 2 . . . . A 22 PRO HD3 . 34943 1 150 . 1 . 1 23 23 PRO HA H 1 2.212461538 0.003028464567 . 1 . . . . A 23 PRO HA . 34943 1 151 . 1 . 1 23 23 PRO HB2 H 1 0.4958666667 0.002276449477 . 2 . . . . A 23 PRO HB2 . 34943 1 152 . 1 . 1 23 23 PRO HB3 H 1 1.421083333 0.002253084306 . 2 . . . . A 23 PRO HB3 . 34943 1 153 . 1 . 1 23 23 PRO HG2 H 1 1.6846 0.00438634244 . 2 . . . . A 23 PRO HG2 . 34943 1 154 . 1 . 1 23 23 PRO HG3 H 1 1.7651 0.004928488612 . 2 . . . . A 23 PRO HG3 . 34943 1 155 . 1 . 1 23 23 PRO HD2 H 1 3.486166667 0.00244381305 . 2 . . . . A 23 PRO HD2 . 34943 1 156 . 1 . 1 23 23 PRO HD3 H 1 3.529153846 0.002626672474 . 2 . . . . A 23 PRO HD3 . 34943 1 157 . 1 . 1 24 24 PRO HA H 1 4.197125 0.001165922382 . 1 . . . . A 24 PRO HA . 34943 1 158 . 1 . 1 24 24 PRO HB2 H 1 1.934923077 0.004921874853 . 2 . . . . A 24 PRO HB2 . 34943 1 159 . 1 . 1 24 24 PRO HB3 H 1 2.244666667 0.002211083194 . 2 . . . . A 24 PRO HB3 . 34943 1 160 . 1 . 1 24 24 PRO HG2 H 1 1.797428571 0.00317837078 . 2 . . . . A 24 PRO HG2 . 34943 1 161 . 1 . 1 24 24 PRO HG3 H 1 1.8627 0.002647640459 . 2 . . . . A 24 PRO HG3 . 34943 1 162 . 1 . 1 24 24 PRO HD2 H 1 2.775705882 0.002051246561 . 2 . . . . A 24 PRO HD2 . 34943 1 163 . 1 . 1 24 24 PRO HD3 H 1 2.948111111 0.002401131421 . 2 . . . . A 24 PRO HD3 . 34943 1 164 . 1 . 1 25 25 CYS H H 1 7.580384615 0.001820332243 . 1 . . . . A 25 CYS H . 34943 1 165 . 1 . 1 25 25 CYS HA H 1 4.1322 0.003249615362 . 1 . . . . A 25 CYS HA . 34943 1 166 . 1 . 1 25 25 CYS HB2 H 1 3.3025 0.004177319714 . 2 . . . . A 25 CYS HB2 . 34943 1 167 . 1 . 1 25 25 CYS HB3 H 1 3.733125 0.002315032398 . 2 . . . . A 25 CYS HB3 . 34943 1 stop_ save_