################################### # 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 34950 _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' . . . 34950 1 2 '2D 1H-1H TOCSY' . . . 34950 1 3 '2D 1H-1H NOESY' . . . 34950 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 2 2 GLU HA H 1 4.335225652 0.002308736798 . 1 . . . . A 2 GLU HA . 34950 1 2 . 1 . 1 3 3 GLU H H 1 9.120163247 0.001603964894 . 1 . . . . A 3 GLU H . 34950 1 3 . 1 . 1 3 3 GLU HA H 1 4.208284144 0.004366795627 . 1 . . . . A 3 GLU HA . 34950 1 4 . 1 . 1 3 3 GLU HB2 H 1 2.018949109 0.006642944796 . 2 . . . . A 3 GLU HB2 . 34950 1 5 . 1 . 1 3 3 GLU HB3 H 1 2.124909466 0.008253567184 . 2 . . . . A 3 GLU HB3 . 34950 1 6 . 1 . 1 3 3 GLU HG2 H 1 2.329343395 0.001872578479 . 2 . . . . A 3 GLU HG2 . 34950 1 7 . 1 . 1 3 3 GLU HG3 H 1 2.356482978 0.001435733398 . 2 . . . . A 3 GLU HG3 . 34950 1 8 . 1 . 1 4 4 ALA H H 1 8.764041122 0.002463470465 . 1 . . . . A 4 ALA H . 34950 1 9 . 1 . 1 4 4 ALA HA H 1 4.093769492 0.01866718528 . 1 . . . . A 4 ALA HA . 34950 1 10 . 1 . 1 4 4 ALA HB1 H 1 1.446064147 0.002925178847 . 1 . . . . A 4 ALA HB1 . 34950 1 11 . 1 . 1 4 4 ALA HB2 H 1 1.446064147 0.002925178847 . 1 . . . . A 4 ALA HB2 . 34950 1 12 . 1 . 1 4 4 ALA HB3 H 1 1.446064147 0.002925178847 . 1 . . . . A 4 ALA HB3 . 34950 1 13 . 1 . 1 5 5 VAL H H 1 7.419628528 0.004271321265 . 1 . . . . A 5 VAL H . 34950 1 14 . 1 . 1 5 5 VAL HA H 1 3.855396487 0.001290710498 . 1 . . . . A 5 VAL HA . 34950 1 15 . 1 . 1 5 5 VAL HB H 1 2.221632851 0.01151986001 . 1 . . . . A 5 VAL HB . 34950 1 16 . 1 . 1 5 5 VAL HG11 H 1 1.038765636 0.003038634329 . 2 . . . . A 5 VAL HG11 . 34950 1 17 . 1 . 1 5 5 VAL HG12 H 1 1.038765636 0.003038634329 . 2 . . . . A 5 VAL HG12 . 34950 1 18 . 1 . 1 5 5 VAL HG13 H 1 1.038765636 0.003038634329 . 2 . . . . A 5 VAL HG13 . 34950 1 19 . 1 . 1 5 5 VAL HG21 H 1 1.038765636 0.003038634329 . 2 . . . . A 5 VAL HG21 . 34950 1 20 . 1 . 1 5 5 VAL HG22 H 1 1.038765636 0.003038634329 . 2 . . . . A 5 VAL HG22 . 34950 1 21 . 1 . 1 5 5 VAL HG23 H 1 1.038765636 0.003038634329 . 2 . . . . A 5 VAL HG23 . 34950 1 22 . 1 . 1 6 6 ARG H H 1 8.041171048 0.001229227992 . 1 . . . . A 6 ARG H . 34950 1 23 . 1 . 1 6 6 ARG HA H 1 4.023594613 0.003811444462 . 1 . . . . A 6 ARG HA . 34950 1 24 . 1 . 1 6 6 ARG HB2 H 1 1.897922809 0.00110010249 . 2 . . . . A 6 ARG HB2 . 34950 1 25 . 1 . 1 6 6 ARG HB3 H 1 2.009950831 0.002537809461 . 2 . . . . A 6 ARG HB3 . 34950 1 26 . 1 . 1 6 6 ARG HG2 H 1 1.517454433 0.001520599678 . 2 . . . . A 6 ARG HG2 . 34950 1 27 . 1 . 1 6 6 ARG HG3 H 1 1.719022488 0.001246908549 . 2 . . . . A 6 ARG HG3 . 34950 1 28 . 1 . 1 6 6 ARG HD2 H 1 3.162456061 0.001944720055 . 2 . . . . A 6 ARG HD2 . 34950 1 29 . 1 . 1 6 6 ARG HD3 H 1 3.316326064 0.001178626887 . 2 . . . . A 6 ARG HD3 . 34950 1 30 . 1 . 1 6 6 ARG HE H 1 7.898918931 0.001910775416 . 1 . . . . A 6 ARG HE . 34950 1 31 . 1 . 1 6 6 ARG HH11 H 1 6.97568331 0.003866093089 . 2 . . . . A 6 ARG HH11 . 34950 1 32 . 1 . 1 6 6 ARG HH12 H 1 6.97568331 0.003866093089 . 2 . . . . A 6 ARG HH12 . 34950 1 33 . 1 . 1 7 7 LEU H H 1 8.654598557 0.002293197195 . 1 . . . . A 7 LEU H . 34950 1 34 . 1 . 1 7 7 LEU HA H 1 4.110012658 0.001149212539 . 1 . . . . A 7 LEU HA . 34950 1 35 . 1 . 1 7 7 LEU HB2 H 1 1.392210939 0.001071459338 . 2 . . . . A 7 LEU HB2 . 34950 1 36 . 1 . 1 7 7 LEU HB3 H 1 1.922698207 0.001886528376 . 2 . . . . A 7 LEU HB3 . 34950 1 37 . 1 . 1 7 7 LEU HG H 1 1.831389398 0.003102183049 . 1 . . . . A 7 LEU HG . 34950 1 38 . 1 . 1 7 7 LEU HD11 H 1 0.8829398023 0.001924381528 . 2 . . . . A 7 LEU HD11 . 34950 1 39 . 1 . 1 7 7 LEU HD12 H 1 0.8829398023 0.001924381528 . 2 . . . . A 7 LEU HD12 . 34950 1 40 . 1 . 1 7 7 LEU HD13 H 1 0.8829398023 0.001924381528 . 2 . . . . A 7 LEU HD13 . 34950 1 41 . 1 . 1 7 7 LEU HD21 H 1 0.933190927 0.004475541376 . 2 . . . . A 7 LEU HD21 . 34950 1 42 . 1 . 1 7 7 LEU HD22 H 1 0.933190927 0.004475541376 . 2 . . . . A 7 LEU HD22 . 34950 1 43 . 1 . 1 7 7 LEU HD23 H 1 0.933190927 0.004475541376 . 2 . . . . A 7 LEU HD23 . 34950 1 44 . 1 . 1 8 8 TYR H H 1 8.198510536 0.001791961356 . 1 . . . . A 8 TYR H . 34950 1 45 . 1 . 1 8 8 TYR HA H 1 4.180377233 0.004489095874 . 1 . . . . A 8 TYR HA . 34950 1 46 . 1 . 1 8 8 TYR HB2 H 1 3.201791037 0.00104923216 . 2 . . . . A 8 TYR HB2 . 34950 1 47 . 1 . 1 8 8 TYR HB3 H 1 3.291981307 0.001618704778 . 2 . . . . A 8 TYR HB3 . 34950 1 48 . 1 . 1 8 8 TYR HD1 H 1 7.075985844 0.002653308328 . 3 . . . . A 8 TYR HD1 . 34950 1 49 . 1 . 1 8 8 TYR HD2 H 1 7.075985844 0.002653308328 . 3 . . . . A 8 TYR HD2 . 34950 1 50 . 1 . 1 8 8 TYR HE1 H 1 6.843319693 0.002269941585 . 3 . . . . A 8 TYR HE1 . 34950 1 51 . 1 . 1 8 8 TYR HE2 H 1 6.843319693 0.002269941585 . 3 . . . . A 8 TYR HE2 . 34950 1 52 . 1 . 1 9 9 ILE H H 1 8.628284935 0.002345698157 . 1 . . . . A 9 ILE H . 34950 1 53 . 1 . 1 9 9 ILE HA H 1 3.712188564 0.002886867272 . 1 . . . . A 9 ILE HA . 34950 1 54 . 1 . 1 9 9 ILE HB H 1 2.053985542 0.0009765725621 . 1 . . . . A 9 ILE HB . 34950 1 55 . 1 . 1 9 9 ILE HG12 H 1 1.382724324 0.000188933038 . 2 . . . . A 9 ILE HG12 . 34950 1 56 . 1 . 1 9 9 ILE HG13 H 1 1.915138585 0.001874390257 . 2 . . . . A 9 ILE HG13 . 34950 1 57 . 1 . 1 9 9 ILE HG21 H 1 0.9761018302 0.004133219028 . 1 . . . . A 9 ILE HG21 . 34950 1 58 . 1 . 1 9 9 ILE HG22 H 1 0.9761018302 0.004133219028 . 1 . . . . A 9 ILE HG22 . 34950 1 59 . 1 . 1 9 9 ILE HG23 H 1 0.9761018302 0.004133219028 . 1 . . . . A 9 ILE HG23 . 34950 1 60 . 1 . 1 9 9 ILE HD11 H 1 0.9280749902 0.000715430358 . 1 . . . . A 9 ILE HD11 . 34950 1 61 . 1 . 1 9 9 ILE HD12 H 1 0.9280749902 0.000715430358 . 1 . . . . A 9 ILE HD12 . 34950 1 62 . 1 . 1 9 9 ILE HD13 H 1 0.9280749902 0.000715430358 . 1 . . . . A 9 ILE HD13 . 34950 1 63 . 1 . 1 10 10 GLN H H 1 8.043986762 0.001393766011 . 1 . . . . A 10 GLN H . 34950 1 64 . 1 . 1 10 10 GLN HA H 1 4.065070232 0.001976015916 . 1 . . . . A 10 GLN HA . 34950 1 65 . 1 . 1 10 10 GLN HB2 H 1 2.189165487 0.004566833139 . 2 . . . . A 10 GLN HB2 . 34950 1 66 . 1 . 1 10 10 GLN HB3 H 1 2.189165487 0.004566833139 . 2 . . . . A 10 GLN HB3 . 34950 1 67 . 1 . 1 10 10 GLN HG2 H 1 2.357714107 0.008365705218 . 2 . . . . A 10 GLN HG2 . 34950 1 68 . 1 . 1 10 10 GLN HG3 H 1 2.430221007 0.002438194131 . 2 . . . . A 10 GLN HG3 . 34950 1 69 . 1 . 1 10 10 GLN HE21 H 1 7.07743214 0.001432433265 . 2 . . . . A 10 GLN HE21 . 34950 1 70 . 1 . 1 10 10 GLN HE22 H 1 7.709759283 0.0006997109256 . 2 . . . . A 10 GLN HE22 . 34950 1 71 . 1 . 1 11 11 TRP H H 1 8.078338269 0.0007322955535 . 1 . . . . A 11 TRP H . 34950 1 72 . 1 . 1 11 11 TRP HA H 1 4.299518326 0.002150989376 . 1 . . . . A 11 TRP HA . 34950 1 73 . 1 . 1 11 11 TRP HB2 H 1 3.197730016 0.005568404429 . 2 . . . . A 11 TRP HB2 . 34950 1 74 . 1 . 1 11 11 TRP HB3 H 1 3.603112258 0.00237902044 . 2 . . . . A 11 TRP HB3 . 34950 1 75 . 1 . 1 11 11 TRP HD1 H 1 7.0830288 0.003696905737 . 1 . . . . A 11 TRP HD1 . 34950 1 76 . 1 . 1 11 11 TRP HE1 H 1 9.672367047 0.002582021047 . 1 . . . . A 11 TRP HE1 . 34950 1 77 . 1 . 1 11 11 TRP HE3 H 1 7.133320126 0.00146101037 . 1 . . . . A 11 TRP HE3 . 34950 1 78 . 1 . 1 11 11 TRP HZ2 H 1 7.234888924 0.002340086466 . 1 . . . . A 11 TRP HZ2 . 34950 1 79 . 1 . 1 11 11 TRP HZ3 H 1 7.088960543 0.0007333460031 . 1 . . . . A 11 TRP HZ3 . 34950 1 80 . 1 . 1 11 11 TRP HH2 H 1 7.22192119 0.00728013399 . 1 . . . . A 11 TRP HH2 . 34950 1 81 . 1 . 1 12 12 LEU H H 1 8.611308452 0.0008732397152 . 1 . . . . A 12 LEU H . 34950 1 82 . 1 . 1 12 12 LEU HA H 1 3.35766225 0.0009160957494 . 1 . . . . A 12 LEU HA . 34950 1 83 . 1 . 1 12 12 LEU HB2 H 1 1.382878069 0.002540281243 . 2 . . . . A 12 LEU HB2 . 34950 1 84 . 1 . 1 12 12 LEU HB3 H 1 1.948528433 0.002696736061 . 2 . . . . A 12 LEU HB3 . 34950 1 85 . 1 . 1 12 12 LEU HG H 1 1.602841721 0.003824162385 . 1 . . . . A 12 LEU HG . 34950 1 86 . 1 . 1 12 12 LEU HD11 H 1 0.837296256 0.001753556997 . 2 . . . . A 12 LEU HD11 . 34950 1 87 . 1 . 1 12 12 LEU HD12 H 1 0.837296256 0.001753556997 . 2 . . . . A 12 LEU HD12 . 34950 1 88 . 1 . 1 12 12 LEU HD13 H 1 0.837296256 0.001753556997 . 2 . . . . A 12 LEU HD13 . 34950 1 89 . 1 . 1 12 12 LEU HD21 H 1 0.9476965225 0.001975802733 . 2 . . . . A 12 LEU HD21 . 34950 1 90 . 1 . 1 12 12 LEU HD22 H 1 0.9476965225 0.001975802733 . 2 . . . . A 12 LEU HD22 . 34950 1 91 . 1 . 1 12 12 LEU HD23 H 1 0.9476965225 0.001975802733 . 2 . . . . A 12 LEU HD23 . 34950 1 92 . 1 . 1 13 13 LYS H H 1 8.413456985 0.002255355226 . 1 . . . . A 13 LYS H . 34950 1 93 . 1 . 1 13 13 LYS HA H 1 4.004867085 0.0006440583249 . 1 . . . . A 13 LYS HA . 34950 1 94 . 1 . 1 13 13 LYS HB2 H 1 1.958555504 0.0009535062777 . 2 . . . . A 13 LYS HB2 . 34950 1 95 . 1 . 1 13 13 LYS HB3 H 1 1.95918752 0.0005072749405 . 2 . . . . A 13 LYS HB3 . 34950 1 96 . 1 . 1 13 13 LYS HG2 H 1 1.444222826 0.002595178434 . 2 . . . . A 13 LYS HG2 . 34950 1 97 . 1 . 1 13 13 LYS HG3 H 1 1.444222826 0.002595178433 . 2 . . . . A 13 LYS HG3 . 34950 1 98 . 1 . 1 13 13 LYS HD2 H 1 1.664782684 0.002003808867 . 2 . . . . A 13 LYS HD2 . 34950 1 99 . 1 . 1 13 13 LYS HD3 H 1 1.664782684 0.002003808867 . 2 . . . . A 13 LYS HD3 . 34950 1 100 . 1 . 1 13 13 LYS HE2 H 1 2.941770126 0.001192894108 . 2 . . . . A 13 LYS HE2 . 34950 1 101 . 1 . 1 13 13 LYS HE3 H 1 2.941770126 0.001192894106 . 2 . . . . A 13 LYS HE3 . 34950 1 102 . 1 . 1 14 14 GLN H H 1 7.63344291 0.001145697709 . 1 . . . . A 14 GLN H . 34950 1 103 . 1 . 1 14 14 GLN HA H 1 4.297375758 0.0009127643759 . 1 . . . . A 14 GLN HA . 34950 1 104 . 1 . 1 14 14 GLN HB2 H 1 2.180324511 0.001280193726 . 2 . . . . A 14 GLN HB2 . 34950 1 105 . 1 . 1 14 14 GLN HB3 H 1 2.18060543 0.001132932016 . 2 . . . . A 14 GLN HB3 . 34950 1 106 . 1 . 1 14 14 GLN HG2 H 1 2.415197588 0.004976149051 . 2 . . . . A 14 GLN HG2 . 34950 1 107 . 1 . 1 14 14 GLN HG3 H 1 2.608067039 0.002690099121 . 2 . . . . A 14 GLN HG3 . 34950 1 108 . 1 . 1 14 14 GLN HE21 H 1 6.884844765 0.001844814892 . 2 . . . . A 14 GLN HE21 . 34950 1 109 . 1 . 1 14 14 GLN HE22 H 1 7.544500772 0.0008948168096 . 2 . . . . A 14 GLN HE22 . 34950 1 110 . 1 . 1 15 15 GLY H H 1 7.579420282 0.0026544304 . 1 . . . . A 15 GLY H . 34950 1 111 . 1 . 1 15 15 GLY HA2 H 1 3.49704432 0.0009497777742 . 2 . . . . A 15 GLY HA2 . 34950 1 112 . 1 . 1 15 15 GLY HA3 H 1 4.178976293 0.0007158485504 . 2 . . . . A 15 GLY HA3 . 34950 1 113 . 1 . 1 16 16 GLY H H 1 8.113344795 0.002431965328 . 1 . . . . A 16 GLY H . 34950 1 114 . 1 . 1 16 16 GLY HA2 H 1 1.13688082 0.003948936692 . 2 . . . . A 16 GLY HA2 . 34950 1 115 . 1 . 1 16 16 GLY HA3 H 1 3.116682517 0.003152320391 . 2 . . . . A 16 GLY HA3 . 34950 1 116 . 1 . 1 17 17 PRO HA H 1 4.615463302 0.002262475593 . 1 . . . . A 17 PRO HA . 34950 1 117 . 1 . 1 17 17 PRO HB2 H 1 2.071668141 0.002264120837 . 2 . . . . A 17 PRO HB2 . 34950 1 118 . 1 . 1 17 17 PRO HB3 H 1 2.510204315 0.002890778689 . 2 . . . . A 17 PRO HB3 . 34950 1 119 . 1 . 1 17 17 PRO HG2 H 1 2.159025866 0.004360078895 . 2 . . . . A 17 PRO HG2 . 34950 1 120 . 1 . 1 17 17 PRO HG3 H 1 2.159025866 0.004360078895 . 2 . . . . A 17 PRO HG3 . 34950 1 121 . 1 . 1 17 17 PRO HD2 H 1 3.365901883 0.001084555079 . 2 . . . . A 17 PRO HD2 . 34950 1 122 . 1 . 1 17 17 PRO HD3 H 1 3.784919215 0.002036606103 . 2 . . . . A 17 PRO HD3 . 34950 1 123 . 1 . 1 18 18 SER H H 1 7.958125747 0.001214392063 . 1 . . . . A 18 SER H . 34950 1 124 . 1 . 1 18 18 SER HA H 1 4.453722498 0.0007356442034 . 1 . . . . A 18 SER HA . 34950 1 125 . 1 . 1 18 18 SER HB2 H 1 3.933121206 0.002920767727 . 2 . . . . A 18 SER HB2 . 34950 1 126 . 1 . 1 18 18 SER HB3 H 1 3.933121206 0.002920767726 . 2 . . . . A 18 SER HB3 . 34950 1 127 . 1 . 1 19 19 SER H H 1 8.153872595 0.002011724517 . 1 . . . . A 19 SER H . 34950 1 128 . 1 . 1 19 19 SER HA H 1 4.265083417 0.000375692653 . 1 . . . . A 19 SER HA . 34950 1 129 . 1 . 1 19 19 SER HB2 H 1 3.606161982 0.003549058074 . 2 . . . . A 19 SER HB2 . 34950 1 130 . 1 . 1 19 19 SER HB3 H 1 3.606194799 0.003240662867 . 2 . . . . A 19 SER HB3 . 34950 1 131 . 1 . 1 19 19 SER HG H 1 5.413545511 0.0023479325 . 1 . . . . A 19 SER HG . 34950 1 132 . 1 . 1 20 20 GLY H H 1 8.074279285 0.001372320457 . 1 . . . . A 20 GLY H . 34950 1 133 . 1 . 1 20 20 GLY HA2 H 1 3.855754101 0.001425510911 . 2 . . . . A 20 GLY HA2 . 34950 1 134 . 1 . 1 20 20 GLY HA3 H 1 4.215695757 0.002379584915 . 2 . . . . A 20 GLY HA3 . 34950 1 135 . 1 . 1 21 21 ARG H H 1 8.044091865 0.002402268794 . 1 . . . . A 21 ARG H . 34950 1 136 . 1 . 1 21 21 ARG HA H 1 4.875710493 0.0009547087137 . 1 . . . . A 21 ARG HA . 34950 1 137 . 1 . 1 21 21 ARG HB2 H 1 1.790233702 0.003514869328 . 2 . . . . A 21 ARG HB2 . 34950 1 138 . 1 . 1 21 21 ARG HB3 H 1 1.942288847 0.003033909275 . 2 . . . . A 21 ARG HB3 . 34950 1 139 . 1 . 1 21 21 ARG HG2 H 1 1.666592799 0.001517993876 . 2 . . . . A 21 ARG HG2 . 34950 1 140 . 1 . 1 21 21 ARG HG3 H 1 1.711137137 0.001260043859 . 2 . . . . A 21 ARG HG3 . 34950 1 141 . 1 . 1 21 21 ARG HD2 H 1 3.249141579 0.005919278297 . 2 . . . . A 21 ARG HD2 . 34950 1 142 . 1 . 1 21 21 ARG HD3 H 1 3.249359329 0.005566868731 . 2 . . . . A 21 ARG HD3 . 34950 1 143 . 1 . 1 21 21 ARG HE H 1 7.403428887 0.000674870247 . 1 . . . . A 21 ARG HE . 34950 1 144 . 1 . 1 22 22 PRO HA H 1 4.705145336 0.001871285256 . 1 . . . . A 22 PRO HA . 34950 1 145 . 1 . 1 22 22 PRO HB2 H 1 2.005950587 0.0023602771 . 2 . . . . A 22 PRO HB2 . 34950 1 146 . 1 . 1 22 22 PRO HB3 H 1 2.290887542 0.002414602717 . 2 . . . . A 22 PRO HB3 . 34950 1 147 . 1 . 1 22 22 PRO HG2 H 1 1.799932668 0.002094261169 . 2 . . . . A 22 PRO HG2 . 34950 1 148 . 1 . 1 22 22 PRO HG3 H 1 1.799932668 0.002094261169 . 2 . . . . A 22 PRO HG3 . 34950 1 149 . 1 . 1 22 22 PRO HD2 H 1 3.658103456 0.001125574989 . 2 . . . . A 22 PRO HD2 . 34950 1 150 . 1 . 1 22 22 PRO HD3 H 1 3.866490144 0.003812788818 . 2 . . . . A 22 PRO HD3 . 34950 1 151 . 1 . 1 23 23 PRO HA H 1 2.712676105 0.005949042854 . 1 . . . . A 23 PRO HA . 34950 1 152 . 1 . 1 23 23 PRO HB2 H 1 0.5994936553 0.002772624977 . 2 . . . . A 23 PRO HB2 . 34950 1 153 . 1 . 1 23 23 PRO HB3 H 1 1.439392537 0.003203214585 . 2 . . . . A 23 PRO HB3 . 34950 1 154 . 1 . 1 23 23 PRO HG2 H 1 1.672581894 0.004774893953 . 2 . . . . A 23 PRO HG2 . 34950 1 155 . 1 . 1 23 23 PRO HG3 H 1 1.743571235 0.001852136341 . 2 . . . . A 23 PRO HG3 . 34950 1 156 . 1 . 1 23 23 PRO HD2 H 1 3.506769438 0.002544483826 . 2 . . . . A 23 PRO HD2 . 34950 1 157 . 1 . 1 23 23 PRO HD3 H 1 3.506769438 0.002544483825 . 2 . . . . A 23 PRO HD3 . 34950 1 158 . 1 . 1 24 24 PRO HA H 1 4.296145627 0.00199128405 . 1 . . . . A 24 PRO HA . 34950 1 159 . 1 . 1 24 24 PRO HB2 H 1 2.019188326 0.003923285189 . 2 . . . . A 24 PRO HB2 . 34950 1 160 . 1 . 1 24 24 PRO HB3 H 1 2.236708053 0.008012398128 . 2 . . . . A 24 PRO HB3 . 34950 1 161 . 1 . 1 24 24 PRO HG2 H 1 1.836324999 0.001461553641 . 2 . . . . A 24 PRO HG2 . 34950 1 162 . 1 . 1 24 24 PRO HG3 H 1 1.958159159 0.002633438009 . 2 . . . . A 24 PRO HG3 . 34950 1 163 . 1 . 1 24 24 PRO HD2 H 1 3.056457941 0.003024257235 . 2 . . . . A 24 PRO HD2 . 34950 1 164 . 1 . 1 24 24 PRO HD3 H 1 3.162029259 0.0009318356369 . 2 . . . . A 24 PRO HD3 . 34950 1 165 . 1 . 1 25 25 SER H H 1 7.868528652 0.0009143393695 . 1 . . . . A 25 SER H . 34950 1 166 . 1 . 1 25 25 SER HA H 1 4.160051636 0.0106707125 . 1 . . . . A 25 SER HA . 34950 1 167 . 1 . 1 25 25 SER HB2 H 1 3.792787807 0.001306052844 . 2 . . . . A 25 SER HB2 . 34950 1 168 . 1 . 1 25 25 SER HB3 H 1 3.792787807 0.001306052844 . 2 . . . . A 25 SER HB3 . 34950 1 stop_ save_