################################### # 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 34945 _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' . . . 34945 1 2 '2D 1H-1H TOCSY' . . . 34945 1 3 '2D 1H-1H NOESY' . . . 34945 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 3.981333333 0.0009428090429 . 1 . . . . A 1 GLU HA . 34945 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.051666667 0.0004714045205 . 2 . . . . A 1 GLU HB2 . 34945 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.116 0 . 2 . . . . A 1 GLU HB3 . 34945 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.356 0 . 2 . . . . A 1 GLU HG2 . 34945 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.356 0 . 2 . . . . A 1 GLU HG3 . 34945 1 6 . 1 . 1 2 2 GLU HA H 1 4.3072 0.001326649917 . 1 . . . . A 2 GLU HA . 34945 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.001111111 0.001728483243 . 2 . . . . A 2 GLU HB2 . 34945 1 8 . 1 . 1 2 2 GLU HB3 H 1 2.148428571 0.001049781319 . 2 . . . . A 2 GLU HB3 . 34945 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.3296 0.009057593499 . 2 . . . . A 2 GLU HG2 . 34945 1 10 . 1 . 1 2 2 GLU HG3 H 1 2.353125 0.001763341997 . 2 . . . . A 2 GLU HG3 . 34945 1 11 . 1 . 1 3 3 GLU H H 1 8.8492 0.002315167381 . 1 . . . . A 3 GLU H . 34945 1 12 . 1 . 1 3 3 GLU HA H 1 4.2062 0.002712931994 . 1 . . . . A 3 GLU HA . 34945 1 13 . 1 . 1 3 3 GLU HB2 H 1 2.091 0.000816496581 . 2 . . . . A 3 GLU HB2 . 34945 1 14 . 1 . 1 3 3 GLU HB3 H 1 2.091 0.000816496581 . 2 . . . . A 3 GLU HB3 . 34945 1 15 . 1 . 1 3 3 GLU HG2 H 1 2.318333333 0.0004714045215 . 2 . . . . A 3 GLU HG2 . 34945 1 16 . 1 . 1 3 3 GLU HG3 H 1 2.318333333 0.0004714045215 . 2 . . . . A 3 GLU HG3 . 34945 1 17 . 1 . 1 4 4 CYS H H 1 8.605666667 0.00205480467 . 1 . . . . A 4 CYS H . 34945 1 18 . 1 . 1 4 4 CYS HA H 1 4.431125 0.001763341996 . 1 . . . . A 4 CYS HA . 34945 1 19 . 1 . 1 4 4 CYS HB2 H 1 2.91775 0.0004330127034 . 2 . . . . A 4 CYS HB2 . 34945 1 20 . 1 . 1 4 4 CYS HB3 H 1 3.3792 0.0007483314775 . 2 . . . . A 4 CYS HB3 . 34945 1 21 . 1 . 1 5 5 VAL H H 1 7.7716 0.001019803893 . 1 . . . . A 5 VAL H . 34945 1 22 . 1 . 1 5 5 VAL HA H 1 3.727 0.002860387767 . 1 . . . . A 5 VAL HA . 34945 1 23 . 1 . 1 5 5 VAL HB H 1 2.160285714 0.001030157508 . 1 . . . . A 5 VAL HB . 34945 1 24 . 1 . 1 5 5 VAL HG11 H 1 0.9867857143 0.004003187505 . 2 . . . . A 5 VAL HG11 . 34945 1 25 . 1 . 1 5 5 VAL HG12 H 1 0.9867857143 0.004003187505 . 2 . . . . A 5 VAL HG12 . 34945 1 26 . 1 . 1 5 5 VAL HG13 H 1 0.9867857143 0.004003187505 . 2 . . . . A 5 VAL HG13 . 34945 1 27 . 1 . 1 5 5 VAL HG21 H 1 1.0316 0.005225578118 . 2 . . . . A 5 VAL HG21 . 34945 1 28 . 1 . 1 5 5 VAL HG22 H 1 1.0316 0.005225578118 . 2 . . . . A 5 VAL HG22 . 34945 1 29 . 1 . 1 5 5 VAL HG23 H 1 1.0316 0.005225578118 . 2 . . . . A 5 VAL HG23 . 34945 1 30 . 1 . 1 6 6 ARG H H 1 7.68 0.001183215949 . 1 . . . . A 6 ARG H . 34945 1 31 . 1 . 1 6 6 ARG HA H 1 4.0588 0.002833137249 . 1 . . . . A 6 ARG HA . 34945 1 32 . 1 . 1 6 6 ARG HB2 H 1 1.954875 0.004702060719 . 2 . . . . A 6 ARG HB2 . 34945 1 33 . 1 . 1 6 6 ARG HB3 H 1 1.977875 0.004166458328 . 2 . . . . A 6 ARG HB3 . 34945 1 34 . 1 . 1 6 6 ARG HG2 H 1 1.630142857 0.001641303613 . 2 . . . . A 6 ARG HG2 . 34945 1 35 . 1 . 1 6 6 ARG HG3 H 1 1.75975 0.004866980583 . 2 . . . . A 6 ARG HG3 . 34945 1 36 . 1 . 1 6 6 ARG HD2 H 1 3.236 0.0005345224824 . 2 . . . . A 6 ARG HD2 . 34945 1 37 . 1 . 1 6 6 ARG HD3 H 1 3.285285714 0.001030157508 . 2 . . . . A 6 ARG HD3 . 34945 1 38 . 1 . 1 7 7 LEU H H 1 8.247428571 0.000728431356 . 1 . . . . A 7 LEU H . 34945 1 39 . 1 . 1 7 7 LEU HA H 1 4.1456 0.001113552872 . 1 . . . . A 7 LEU HA . 34945 1 40 . 1 . 1 7 7 LEU HB2 H 1 1.3422 0.0008717797889 . 2 . . . . A 7 LEU HB2 . 34945 1 41 . 1 . 1 7 7 LEU HB3 H 1 2.0215 0.0025 . 2 . . . . A 7 LEU HB3 . 34945 1 42 . 1 . 1 7 7 LEU HG H 1 1.873833333 0.007733405172 . 1 . . . . A 7 LEU HG . 34945 1 43 . 1 . 1 7 7 LEU HD11 H 1 0.9077142857 0.005118992248 . 2 . . . . A 7 LEU HD11 . 34945 1 44 . 1 . 1 7 7 LEU HD12 H 1 0.9077142857 0.005118992248 . 2 . . . . A 7 LEU HD12 . 34945 1 45 . 1 . 1 7 7 LEU HD13 H 1 0.9077142857 0.005118992248 . 2 . . . . A 7 LEU HD13 . 34945 1 46 . 1 . 1 7 7 LEU HD21 H 1 0.9077142857 0.005118992248 . 2 . . . . A 7 LEU HD21 . 34945 1 47 . 1 . 1 7 7 LEU HD22 H 1 0.9077142857 0.005118992248 . 2 . . . . A 7 LEU HD22 . 34945 1 48 . 1 . 1 7 7 LEU HD23 H 1 0.9077142857 0.005118992248 . 2 . . . . A 7 LEU HD23 . 34945 1 49 . 1 . 1 8 8 TYR H H 1 9.258722222 0.001192828351 . 1 . . . . A 8 TYR H . 34945 1 50 . 1 . 1 8 8 TYR HA H 1 4.010285714 0.002657296461 . 1 . . . . A 8 TYR HA . 34945 1 51 . 1 . 1 8 8 TYR HB2 H 1 3.238 0.002851899952 . 2 . . . . A 8 TYR HB2 . 34945 1 52 . 1 . 1 8 8 TYR HB3 H 1 3.238 0.002851899951 . 2 . . . . A 8 TYR HB3 . 34945 1 53 . 1 . 1 8 8 TYR HD1 H 1 7.001037037 0.001621190267 . 3 . . . . A 8 TYR HD1 . 34945 1 54 . 1 . 1 8 8 TYR HD2 H 1 7.001037037 0.001621190267 . 3 . . . . A 8 TYR HD2 . 34945 1 55 . 1 . 1 8 8 TYR HE1 H 1 6.817294118 0.00199306757 . 3 . . . . A 8 TYR HE1 . 34945 1 56 . 1 . 1 8 8 TYR HE2 H 1 6.817294118 0.00199306757 . 3 . . . . A 8 TYR HE2 . 34945 1 57 . 1 . 1 9 9 ILE H H 1 8.4109375 0.00134483968 . 1 . . . . A 9 ILE H . 34945 1 58 . 1 . 1 9 9 ILE HA H 1 3.772705882 0.002864893097 . 1 . . . . A 9 ILE HA . 34945 1 59 . 1 . 1 9 9 ILE HB H 1 2.047363636 0.006595766235 . 1 . . . . A 9 ILE HB . 34945 1 60 . 1 . 1 9 9 ILE HG12 H 1 1.345818182 0.002516064091 . 2 . . . . A 9 ILE HG12 . 34945 1 61 . 1 . 1 9 9 ILE HG13 H 1 1.9326875 0.004831132761 . 2 . . . . A 9 ILE HG13 . 34945 1 62 . 1 . 1 9 9 ILE HG21 H 1 0.9472352941 0.003020117095 . 1 . . . . A 9 ILE HG21 . 34945 1 63 . 1 . 1 9 9 ILE HG22 H 1 0.9472352941 0.003020117095 . 1 . . . . A 9 ILE HG22 . 34945 1 64 . 1 . 1 9 9 ILE HG23 H 1 0.9472352941 0.003020117095 . 1 . . . . A 9 ILE HG23 . 34945 1 65 . 1 . 1 9 9 ILE HD11 H 1 0.9194666667 0.00744640107 . 1 . . . . A 9 ILE HD11 . 34945 1 66 . 1 . 1 9 9 ILE HD12 H 1 0.9194666667 0.00744640107 . 1 . . . . A 9 ILE HD12 . 34945 1 67 . 1 . 1 9 9 ILE HD13 H 1 0.9194666667 0.00744640107 . 1 . . . . A 9 ILE HD13 . 34945 1 68 . 1 . 1 10 10 GLN H H 1 7.554888889 0.00132869565 . 1 . . . . A 10 GLN H . 34945 1 69 . 1 . 1 10 10 GLN HA H 1 3.910416667 0.0007592027922 . 1 . . . . A 10 GLN HA . 34945 1 70 . 1 . 1 10 10 GLN HB2 H 1 2.175875 0.004539754949 . 2 . . . . A 10 GLN HB2 . 34945 1 71 . 1 . 1 10 10 GLN HB3 H 1 2.240285714 0.001484614978 . 2 . . . . A 10 GLN HB3 . 34945 1 72 . 1 . 1 10 10 GLN HG2 H 1 2.412142857 0.005329930888 . 2 . . . . A 10 GLN HG2 . 34945 1 73 . 1 . 1 10 10 GLN HG3 H 1 2.442142857 0.003757984697 . 2 . . . . A 10 GLN HG3 . 34945 1 74 . 1 . 1 10 10 GLN HE21 H 1 7.7368 0.001469693844 . 1 . . . . A 10 GLN HE21 . 34945 1 75 . 1 . 1 10 10 GLN HE22 H 1 6.878 0.04473253849 . 1 . . . . A 10 GLN HE22 . 34945 1 76 . 1 . 1 11 11 TRP H H 1 8.188882353 0.001022243951 . 1 . . . . A 11 TRP H . 34945 1 77 . 1 . 1 11 11 TRP HA H 1 4.243375 0.001576190026 . 1 . . . . A 11 TRP HA . 34945 1 78 . 1 . 1 11 11 TRP HB2 H 1 3.0915 0.03247178262 . 2 . . . . A 11 TRP HB2 . 34945 1 79 . 1 . 1 11 11 TRP HB3 H 1 3.540857143 0.005865847191 . 2 . . . . A 11 TRP HB3 . 34945 1 80 . 1 . 1 11 11 TRP HD1 H 1 6.9696875 0.001894688297 . 1 . . . . A 11 TRP HD1 . 34945 1 81 . 1 . 1 11 11 TRP HE1 H 1 9.536692308 0.001976189624 . 1 . . . . A 11 TRP HE1 . 34945 1 82 . 1 . 1 11 11 TRP HE3 H 1 6.97025 0.002919046648 . 1 . . . . A 11 TRP HE3 . 34945 1 83 . 1 . 1 11 11 TRP HZ2 H 1 7.170133333 0.001820866702 . 1 . . . . A 11 TRP HZ2 . 34945 1 84 . 1 . 1 11 11 TRP HZ3 H 1 7.0669 0.0009433981146 . 1 . . . . A 11 TRP HZ3 . 34945 1 85 . 1 . 1 11 11 TRP HH2 H 1 7.188230769 0.003016718696 . 1 . . . . A 11 TRP HH2 . 34945 1 86 . 1 . 1 12 12 LEU H H 1 8.569210526 0.0008931875089 . 1 . . . . A 12 LEU H . 34945 1 87 . 1 . 1 12 12 LEU HA H 1 3.389181818 0.003185711904 . 1 . . . . A 12 LEU HA . 34945 1 88 . 1 . 1 12 12 LEU HB2 H 1 1.369363636 0.000481045693 . 2 . . . . A 12 LEU HB2 . 34945 1 89 . 1 . 1 12 12 LEU HB3 H 1 2.045636364 0.003310389356 . 2 . . . . A 12 LEU HB3 . 34945 1 90 . 1 . 1 12 12 LEU HG H 1 1.843416667 0.004172495923 . 1 . . . . A 12 LEU HG . 34945 1 91 . 1 . 1 12 12 LEU HD11 H 1 0.8476666667 0.001583646586 . 2 . . . . A 12 LEU HD11 . 34945 1 92 . 1 . 1 12 12 LEU HD12 H 1 0.8476666667 0.001583646586 . 2 . . . . A 12 LEU HD12 . 34945 1 93 . 1 . 1 12 12 LEU HD13 H 1 0.8476666667 0.001583646586 . 2 . . . . A 12 LEU HD13 . 34945 1 94 . 1 . 1 12 12 LEU HD21 H 1 1.020166667 0.0045 . 2 . . . . A 12 LEU HD21 . 34945 1 95 . 1 . 1 12 12 LEU HD22 H 1 1.020166667 0.0045 . 2 . . . . A 12 LEU HD22 . 34945 1 96 . 1 . 1 12 12 LEU HD23 H 1 1.020166667 0.0045 . 2 . . . . A 12 LEU HD23 . 34945 1 97 . 1 . 1 13 13 LYS H H 1 8.2889375 0.001143937827 . 1 . . . . A 13 LYS H . 34945 1 98 . 1 . 1 13 13 LYS HA H 1 3.927333333 0.006377042157 . 1 . . . . A 13 LYS HA . 34945 1 99 . 1 . 1 13 13 LYS HB2 H 1 1.938909091 0.001504813214 . 2 . . . . A 13 LYS HB2 . 34945 1 100 . 1 . 1 13 13 LYS HB3 H 1 1.938909091 0.001504813214 . 2 . . . . A 13 LYS HB3 . 34945 1 101 . 1 . 1 13 13 LYS HG2 H 1 1.4415 0.001118033989 . 2 . . . . A 13 LYS HG2 . 34945 1 102 . 1 . 1 13 13 LYS HG3 H 1 1.4415 0.001118033989 . 2 . . . . A 13 LYS HG3 . 34945 1 103 . 1 . 1 13 13 LYS HD2 H 1 1.579625 0.001218349293 . 2 . . . . A 13 LYS HD2 . 34945 1 104 . 1 . 1 13 13 LYS HD3 H 1 1.6264 0.003411744422 . 2 . . . . A 13 LYS HD3 . 34945 1 105 . 1 . 1 13 13 LYS HE2 H 1 2.927 0.002886751346 . 2 . . . . A 13 LYS HE2 . 34945 1 106 . 1 . 1 13 13 LYS HE3 H 1 2.927 0.002886751346 . 2 . . . . A 13 LYS HE3 . 34945 1 107 . 1 . 1 14 14 ASP H H 1 7.852222222 0.001133115432 . 1 . . . . A 14 ASP H . 34945 1 108 . 1 . 1 14 14 ASP HA H 1 4.56675 0.001479019944 . 1 . . . . A 14 ASP HA . 34945 1 109 . 1 . 1 14 14 ASP HB2 H 1 2.7189 0.005647123161 . 2 . . . . A 14 ASP HB2 . 34945 1 110 . 1 . 1 14 14 ASP HB3 H 1 2.8925 0.005852349955 . 2 . . . . A 14 ASP HB3 . 34945 1 111 . 1 . 1 15 15 GLY H H 1 7.478636364 0.0174630661 . 1 . . . . A 15 GLY H . 34945 1 112 . 1 . 1 15 15 GLY HA2 H 1 3.46275 0.003832427429 . 2 . . . . A 15 GLY HA2 . 34945 1 113 . 1 . 1 15 15 GLY HA3 H 1 4.164333333 0.001699673173 . 2 . . . . A 15 GLY HA3 . 34945 1 114 . 1 . 1 16 16 GLY H H 1 8.4755 0.001118033975 . 1 . . . . A 16 GLY H . 34945 1 115 . 1 . 1 16 16 GLY HA2 H 1 0.7356428571 0.002223483202 . 2 . . . . A 16 GLY HA2 . 34945 1 116 . 1 . 1 16 16 GLY HA3 H 1 3.01675 0.001479019947 . 2 . . . . A 16 GLY HA3 . 34945 1 117 . 1 . 1 17 17 PRO HA H 1 4.586777778 0.00449141843 . 1 . . . . A 17 PRO HA . 34945 1 118 . 1 . 1 17 17 PRO HB2 H 1 2.0525 0.002291287847 . 2 . . . . A 17 PRO HB2 . 34945 1 119 . 1 . 1 17 17 PRO HB3 H 1 2.530142857 0.002294625486 . 2 . . . . A 17 PRO HB3 . 34945 1 120 . 1 . 1 17 17 PRO HG2 H 1 2.150875 0.0005994789411 . 2 . . . . A 17 PRO HG2 . 34945 1 121 . 1 . 1 17 17 PRO HG3 H 1 2.150875 0.0005994789411 . 2 . . . . A 17 PRO HG3 . 34945 1 122 . 1 . 1 17 17 PRO HD2 H 1 3.331090909 0.01897584371 . 2 . . . . A 17 PRO HD2 . 34945 1 123 . 1 . 1 17 17 PRO HD3 H 1 3.7913 0.004539823785 . 2 . . . . A 17 PRO HD3 . 34945 1 124 . 1 . 1 18 18 SER H H 1 7.614666667 0.001247219126 . 1 . . . . A 18 SER H . 34945 1 125 . 1 . 1 18 18 SER HA H 1 4.45825 0.001089724735 . 1 . . . . A 18 SER HA . 34945 1 126 . 1 . 1 18 18 SER HB2 H 1 3.9046 0.001743559577 . 2 . . . . A 18 SER HB2 . 34945 1 127 . 1 . 1 18 18 SER HB3 H 1 3.944 0.003391164992 . 2 . . . . A 18 SER HB3 . 34945 1 128 . 1 . 1 19 19 SER H H 1 8.14775 0.001198957876 . 1 . . . . A 19 SER H . 34945 1 129 . 1 . 1 19 19 SER HA H 1 4.151333333 0.0009428090391 . 1 . . . . A 19 SER HA . 34945 1 130 . 1 . 1 19 19 SER HB2 H 1 3.493636364 0.006138888369 . 2 . . . . A 19 SER HB2 . 34945 1 131 . 1 . 1 19 19 SER HB3 H 1 3.866222222 0.002199887764 . 2 . . . . A 19 SER HB3 . 34945 1 132 . 1 . 1 19 19 SER HG H 1 4.654333333 0.003399346342 . 1 . . . . A 19 SER HG . 34945 1 133 . 1 . 1 20 20 GLY H H 1 7.82375 0.001479019942 . 1 . . . . A 20 GLY H . 34945 1 134 . 1 . 1 20 20 GLY HA2 H 1 3.785333333 0.000942809041 . 2 . . . . A 20 GLY HA2 . 34945 1 135 . 1 . 1 20 20 GLY HA3 H 1 4.292666667 0.001885618083 . 2 . . . . A 20 GLY HA3 . 34945 1 136 . 1 . 1 21 21 ARG H H 1 8.0925 0.002565800722 . 1 . . . . A 21 ARG H . 34945 1 137 . 1 . 1 21 21 ARG HA H 1 5.01675 0.001299038103 . 1 . . . . A 21 ARG HA . 34945 1 138 . 1 . 1 21 21 ARG HB2 H 1 1.7991 0.008419619944 . 2 . . . . A 21 ARG HB2 . 34945 1 139 . 1 . 1 21 21 ARG HB3 H 1 1.8828 0.001989974875 . 2 . . . . A 21 ARG HB3 . 34945 1 140 . 1 . 1 21 21 ARG HG2 H 1 1.656444444 0.002216659705 . 2 . . . . A 21 ARG HG2 . 34945 1 141 . 1 . 1 21 21 ARG HG3 H 1 1.656444444 0.002216659705 . 2 . . . . A 21 ARG HG3 . 34945 1 142 . 1 . 1 21 21 ARG HD2 H 1 3.243714286 0.001979486637 . 2 . . . . A 21 ARG HD2 . 34945 1 143 . 1 . 1 21 21 ARG HD3 H 1 3.311857143 0.0009897433187 . 2 . . . . A 21 ARG HD3 . 34945 1 144 . 1 . 1 22 22 PRO HA H 1 4.7465 0.002061552813 . 1 . . . . A 22 PRO HA . 34945 1 145 . 1 . 1 22 22 PRO HB2 H 1 1.7775 0.0007071067819 . 2 . . . . A 22 PRO HB2 . 34945 1 146 . 1 . 1 22 22 PRO HB3 H 1 2.311571429 0.002381904571 . 2 . . . . A 22 PRO HB3 . 34945 1 147 . 1 . 1 22 22 PRO HG2 H 1 1.932166667 0.000372677995 . 2 . . . . A 22 PRO HG2 . 34945 1 148 . 1 . 1 22 22 PRO HG3 H 1 2.0015 0.001802775638 . 2 . . . . A 22 PRO HG3 . 34945 1 149 . 1 . 1 22 22 PRO HD2 H 1 3.641666667 0.002494438257 . 2 . . . . A 22 PRO HD2 . 34945 1 150 . 1 . 1 22 22 PRO HD3 H 1 3.845111111 0.002182986968 . 2 . . . . A 22 PRO HD3 . 34945 1 151 . 1 . 1 23 23 PRO HA H 1 2.275615385 0.001777572309 . 1 . . . . A 23 PRO HA . 34945 1 152 . 1 . 1 23 23 PRO HB2 H 1 0.5805333333 0.002729265265 . 2 . . . . A 23 PRO HB2 . 34945 1 153 . 1 . 1 23 23 PRO HB3 H 1 1.424818182 0.002622219109 . 2 . . . . A 23 PRO HB3 . 34945 1 154 . 1 . 1 23 23 PRO HG2 H 1 1.651333333 0.005944184833 . 2 . . . . A 23 PRO HG2 . 34945 1 155 . 1 . 1 23 23 PRO HG3 H 1 1.780666667 0.005656854249 . 2 . . . . A 23 PRO HG3 . 34945 1 156 . 1 . 1 23 23 PRO HD2 H 1 3.467545455 0.003257540522 . 2 . . . . A 23 PRO HD2 . 34945 1 157 . 1 . 1 23 23 PRO HD3 H 1 3.514833333 0.002192157739 . 2 . . . . A 23 PRO HD3 . 34945 1 158 . 1 . 1 24 24 PRO HA H 1 4.190714286 0.0004517539562 . 1 . . . . A 24 PRO HA . 34945 1 159 . 1 . 1 24 24 PRO HB2 H 1 1.909125 0.005882973313 . 2 . . . . A 24 PRO HB2 . 34945 1 160 . 1 . 1 24 24 PRO HB3 H 1 2.21175 0.005539629952 . 2 . . . . A 24 PRO HB3 . 34945 1 161 . 1 . 1 24 24 PRO HG2 H 1 1.79925 0.005425633603 . 2 . . . . A 24 PRO HG2 . 34945 1 162 . 1 . 1 24 24 PRO HG3 H 1 1.8190625 0.01045507502 . 2 . . . . A 24 PRO HG3 . 34945 1 163 . 1 . 1 24 24 PRO HD2 H 1 2.739133333 0.005524088663 . 2 . . . . A 24 PRO HD2 . 34945 1 164 . 1 . 1 24 24 PRO HD3 H 1 2.908882353 0.006258005254 . 2 . . . . A 24 PRO HD3 . 34945 1 165 . 1 . 1 25 25 CYS H H 1 7.425142857 0.001551825783 . 1 . . . . A 25 CYS H . 34945 1 166 . 1 . 1 25 25 CYS HA H 1 4.154333333 0.004027681992 . 1 . . . . A 25 CYS HA . 34945 1 167 . 1 . 1 25 25 CYS HB2 H 1 3.284857143 0.0006388765675 . 2 . . . . A 25 CYS HB2 . 34945 1 168 . 1 . 1 25 25 CYS HB3 H 1 3.7006 0.0007999999987 . 2 . . . . A 25 CYS HB3 . 34945 1 stop_ save_