################################### # 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 34928 _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' . . . 34928 1 2 '2D 1H-1H TOCSY' . . . 34928 1 3 '2D 1H-1H NOESY' . . . 34928 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 4.032463714 0.0004016151809 . 1 . . . . A 1 GLU HA . 34928 1 2 . 1 . 1 1 1 GLU HB2 H 1 2.354681189 0.008337057966 . 2 . . . . A 1 GLU HB2 . 34928 1 3 . 1 . 1 1 1 GLU HB3 H 1 2.354681189 0.008337057966 . 2 . . . . A 1 GLU HB3 . 34928 1 4 . 1 . 1 1 1 GLU HG2 H 1 2.057288035 0.00335931854 . 2 . . . . A 1 GLU HG2 . 34928 1 5 . 1 . 1 1 1 GLU HG3 H 1 2.057288035 0.00335931854 . 2 . . . . A 1 GLU HG3 . 34928 1 6 . 1 . 1 2 2 GLU HA H 1 4.334942426 0.0008938273558 . 1 . . . . A 2 GLU HA . 34928 1 7 . 1 . 1 2 2 GLU HB2 H 1 2.011917814 0.004913325331 . 2 . . . . A 2 GLU HB2 . 34928 1 8 . 1 . 1 2 2 GLU HB3 H 1 2.202267277 0.007631244534 . 2 . . . . A 2 GLU HB3 . 34928 1 9 . 1 . 1 2 2 GLU HG2 H 1 2.364635245 0.003168728099 . 2 . . . . A 2 GLU HG2 . 34928 1 10 . 1 . 1 2 2 GLU HG3 H 1 2.365866586 0.002229361339 . 2 . . . . A 2 GLU HG3 . 34928 1 11 . 1 . 1 3 3 GLU H H 1 8.949304616 0.0005713028433 . 1 . . . . A 3 GLU H . 34928 1 12 . 1 . 1 3 3 GLU HA H 1 4.149469475 0.002587194173 . 1 . . . . A 3 GLU HA . 34928 1 13 . 1 . 1 3 3 GLU HB2 H 1 2.042443415 0.004329152201 . 2 . . . . A 3 GLU HB2 . 34928 1 14 . 1 . 1 3 3 GLU HB3 H 1 2.093146158 0.004223500778 . 2 . . . . A 3 GLU HB3 . 34928 1 15 . 1 . 1 3 3 GLU HG2 H 1 2.320363307 0.00272801113 . 2 . . . . A 3 GLU HG2 . 34928 1 16 . 1 . 1 3 3 GLU HG3 H 1 2.320363307 0.00272801113 . 2 . . . . A 3 GLU HG3 . 34928 1 17 . 1 . 1 4 4 ALA H H 1 8.575623778 0.0007708445989 . 1 . . . . A 4 ALA H . 34928 1 18 . 1 . 1 4 4 ALA HA H 1 4.109137732 0.003022808865 . 1 . . . . A 4 ALA HA . 34928 1 19 . 1 . 1 4 4 ALA HB1 H 1 1.444605092 0.002625755166 . 1 . . . . A 4 ALA HB1 . 34928 1 20 . 1 . 1 4 4 ALA HB2 H 1 1.444605092 0.002625755166 . 1 . . . . A 4 ALA HB2 . 34928 1 21 . 1 . 1 4 4 ALA HB3 H 1 1.444605092 0.002625755166 . 1 . . . . A 4 ALA HB3 . 34928 1 22 . 1 . 1 5 5 VAL H H 1 7.474633039 0.0007068043887 . 1 . . . . A 5 VAL H . 34928 1 23 . 1 . 1 5 5 VAL HA H 1 3.880452061 0.003008683193 . 1 . . . . A 5 VAL HA . 34928 1 24 . 1 . 1 5 5 VAL HB H 1 2.20270273 0.002287828298 . 1 . . . . A 5 VAL HB . 34928 1 25 . 1 . 1 5 5 VAL HG11 H 1 1.027561725 0.005604055614 . 2 . . . . A 5 VAL HG11 . 34928 1 26 . 1 . 1 5 5 VAL HG12 H 1 1.027561725 0.005604055614 . 2 . . . . A 5 VAL HG12 . 34928 1 27 . 1 . 1 5 5 VAL HG13 H 1 1.027561725 0.005604055614 . 2 . . . . A 5 VAL HG13 . 34928 1 28 . 1 . 1 5 5 VAL HG21 H 1 1.039882462 0.004372869579 . 2 . . . . A 5 VAL HG21 . 34928 1 29 . 1 . 1 5 5 VAL HG22 H 1 1.039882462 0.004372869579 . 2 . . . . A 5 VAL HG22 . 34928 1 30 . 1 . 1 5 5 VAL HG23 H 1 1.039882462 0.004372869579 . 2 . . . . A 5 VAL HG23 . 34928 1 31 . 1 . 1 6 6 ARG H H 1 7.941954087 0.00080275124 . 1 . . . . A 6 ARG H . 34928 1 32 . 1 . 1 6 6 ARG HA H 1 4.048076427 0.002210594022 . 1 . . . . A 6 ARG HA . 34928 1 33 . 1 . 1 6 6 ARG HB2 H 1 1.919976659 0.0006536941516 . 2 . . . . A 6 ARG HB2 . 34928 1 34 . 1 . 1 6 6 ARG HB3 H 1 1.972256005 0.001758719631 . 2 . . . . A 6 ARG HB3 . 34928 1 35 . 1 . 1 6 6 ARG HG2 H 1 1.583325745 0.002128086242 . 2 . . . . A 6 ARG HG2 . 34928 1 36 . 1 . 1 6 6 ARG HG3 H 1 1.729505473 0.00147105035 . 2 . . . . A 6 ARG HG3 . 34928 1 37 . 1 . 1 6 6 ARG HD2 H 1 3.204795204 0.001019897336 . 2 . . . . A 6 ARG HD2 . 34928 1 38 . 1 . 1 6 6 ARG HD3 H 1 3.279923705 0.002505993792 . 2 . . . . A 6 ARG HD3 . 34928 1 39 . 1 . 1 7 7 LEU H H 1 8.444334043 0.0008484698217 . 1 . . . . A 7 LEU H . 34928 1 40 . 1 . 1 7 7 LEU HA H 1 4.135998875 0.00254318407 . 1 . . . . A 7 LEU HA . 34928 1 41 . 1 . 1 7 7 LEU HB2 H 1 1.398061536 0.002923096929 . 2 . . . . A 7 LEU HB2 . 34928 1 42 . 1 . 1 7 7 LEU HB3 H 1 1.889604579 0.001995132858 . 2 . . . . A 7 LEU HB3 . 34928 1 43 . 1 . 1 7 7 LEU HG H 1 1.814213115 0.0007838741792 . 1 . . . . A 7 LEU HG . 34928 1 44 . 1 . 1 7 7 LEU HD11 H 1 0.8838555897 0.001612440648 . 2 . . . . A 7 LEU HD11 . 34928 1 45 . 1 . 1 7 7 LEU HD12 H 1 0.8838555897 0.001612440648 . 2 . . . . A 7 LEU HD12 . 34928 1 46 . 1 . 1 7 7 LEU HD13 H 1 0.8838555897 0.001612440648 . 2 . . . . A 7 LEU HD13 . 34928 1 47 . 1 . 1 7 7 LEU HD21 H 1 0.9160513594 0.00413833001 . 2 . . . . A 7 LEU HD21 . 34928 1 48 . 1 . 1 7 7 LEU HD22 H 1 0.9160513594 0.00413833001 . 2 . . . . A 7 LEU HD22 . 34928 1 49 . 1 . 1 7 7 LEU HD23 H 1 0.9160513594 0.00413833001 . 2 . . . . A 7 LEU HD23 . 34928 1 50 . 1 . 1 8 8 TYR H H 1 8.138635501 0.0006267456032 . 1 . . . . A 8 TYR H . 34928 1 51 . 1 . 1 8 8 TYR HA H 1 4.154561915 0.002885449301 . 1 . . . . A 8 TYR HA . 34928 1 52 . 1 . 1 8 8 TYR HB2 H 1 3.171005208 0.002701910342 . 2 . . . . A 8 TYR HB2 . 34928 1 53 . 1 . 1 8 8 TYR HB3 H 1 3.244257843 0.002592801899 . 2 . . . . A 8 TYR HB3 . 34928 1 54 . 1 . 1 8 8 TYR HD1 H 1 7.017635785 0.001463228453 . 3 . . . . A 8 TYR HD1 . 34928 1 55 . 1 . 1 8 8 TYR HD2 H 1 7.017635785 0.001463228453 . 3 . . . . A 8 TYR HD2 . 34928 1 56 . 1 . 1 8 8 TYR HE1 H 1 6.811576094 0.001497257947 . 3 . . . . A 8 TYR HE1 . 34928 1 57 . 1 . 1 8 8 TYR HE2 H 1 6.811576094 0.001497257947 . 3 . . . . A 8 TYR HE2 . 34928 1 58 . 1 . 1 9 9 ILE H H 1 8.474814896 0.0006454092442 . 1 . . . . A 9 ILE H . 34928 1 59 . 1 . 1 9 9 ILE HA H 1 3.7190641 0.002463220585 . 1 . . . . A 9 ILE HA . 34928 1 60 . 1 . 1 9 9 ILE HB H 1 2.035530761 0.003180482458 . 1 . . . . A 9 ILE HB . 34928 1 61 . 1 . 1 9 9 ILE HG12 H 1 1.377329032 0.002725805595 . 2 . . . . A 9 ILE HG12 . 34928 1 62 . 1 . 1 9 9 ILE HG13 H 1 1.854758189 0.003479509739 . 2 . . . . A 9 ILE HG13 . 34928 1 63 . 1 . 1 9 9 ILE HG21 H 1 0.9556668526 0.002022051871 . 1 . . . . A 9 ILE HG21 . 34928 1 64 . 1 . 1 9 9 ILE HG22 H 1 0.9556668526 0.002022051871 . 1 . . . . A 9 ILE HG22 . 34928 1 65 . 1 . 1 9 9 ILE HG23 H 1 0.9556668526 0.002022051871 . 1 . . . . A 9 ILE HG23 . 34928 1 66 . 1 . 1 9 9 ILE HD11 H 1 0.9171443786 0.001948679229 . 1 . . . . A 9 ILE HD11 . 34928 1 67 . 1 . 1 9 9 ILE HD12 H 1 0.9171443786 0.001948679229 . 1 . . . . A 9 ILE HD12 . 34928 1 68 . 1 . 1 9 9 ILE HD13 H 1 0.9171443786 0.001948679229 . 1 . . . . A 9 ILE HD13 . 34928 1 69 . 1 . 1 10 10 GLN H H 1 7.960916471 0.001265980168 . 1 . . . . A 10 GLN H . 34928 1 70 . 1 . 1 10 10 GLN HA H 1 4.018494082 0.004259384949 . 1 . . . . A 10 GLN HA . 34928 1 71 . 1 . 1 10 10 GLN HB2 H 1 2.129744802 0.004276190411 . 2 . . . . A 10 GLN HB2 . 34928 1 72 . 1 . 1 10 10 GLN HB3 H 1 2.198640925 0.001352687586 . 2 . . . . A 10 GLN HB3 . 34928 1 73 . 1 . 1 10 10 GLN HG2 H 1 2.407188018 0.001978771922 . 2 . . . . A 10 GLN HG2 . 34928 1 74 . 1 . 1 10 10 GLN HG3 H 1 2.407188018 0.001978771922 . 2 . . . . A 10 GLN HG3 . 34928 1 75 . 1 . 1 10 10 GLN HE21 H 1 6.848778191 0.0009025647461 . 2 . . . . A 10 GLN HE21 . 34928 1 76 . 1 . 1 10 10 GLN HE22 H 1 7.95458233 0.0008262429527 . 2 . . . . A 10 GLN HE22 . 34928 1 77 . 1 . 1 11 11 TRP H H 1 7.963471287 0.001636117966 . 1 . . . . A 11 TRP H . 34928 1 78 . 1 . 1 11 11 TRP HA H 1 4.22268079 0.0009215638897 . 1 . . . . A 11 TRP HA . 34928 1 79 . 1 . 1 11 11 TRP HB2 H 1 3.159094684 0.002424471516 . 2 . . . . A 11 TRP HB2 . 34928 1 80 . 1 . 1 11 11 TRP HB3 H 1 3.568987192 0.005808778532 . 2 . . . . A 11 TRP HB3 . 34928 1 81 . 1 . 1 11 11 TRP HD1 H 1 7.022357219 0.001124304145 . 1 . . . . A 11 TRP HD1 . 34928 1 82 . 1 . 1 11 11 TRP HE1 H 1 9.653361877 0.000915317679 . 1 . . . . A 11 TRP HE1 . 34928 1 83 . 1 . 1 11 11 TRP HE3 H 1 7.109444576 0.001840175626 . 1 . . . . A 11 TRP HE3 . 34928 1 84 . 1 . 1 11 11 TRP HZ2 H 1 7.220567547 0.0009647906853 . 1 . . . . A 11 TRP HZ2 . 34928 1 85 . 1 . 1 11 11 TRP HZ3 H 1 7.104418239 0.006193922512 . 1 . . . . A 11 TRP HZ3 . 34928 1 86 . 1 . 1 11 11 TRP HH2 H 1 7.20220118 0.002773117496 . 1 . . . . A 11 TRP HH2 . 34928 1 87 . 1 . 1 12 12 LEU H H 1 8.426496619 0.0004822888166 . 1 . . . . A 12 LEU H . 34928 1 88 . 1 . 1 12 12 LEU HA H 1 3.400803427 0.0020237532 . 1 . . . . A 12 LEU HA . 34928 1 89 . 1 . 1 12 12 LEU HB2 H 1 1.363339522 0.001415121987 . 2 . . . . A 12 LEU HB2 . 34928 1 90 . 1 . 1 12 12 LEU HB3 H 1 1.926747182 0.001254707754 . 2 . . . . A 12 LEU HB3 . 34928 1 91 . 1 . 1 12 12 LEU HG H 1 1.614779161 0.002687780915 . 1 . . . . A 12 LEU HG . 34928 1 92 . 1 . 1 12 12 LEU HD11 H 1 0.8185012386 0.002116439903 . 2 . . . . A 12 LEU HD11 . 34928 1 93 . 1 . 1 12 12 LEU HD12 H 1 0.8185012386 0.002116439903 . 2 . . . . A 12 LEU HD12 . 34928 1 94 . 1 . 1 12 12 LEU HD13 H 1 0.8185012386 0.002116439903 . 2 . . . . A 12 LEU HD13 . 34928 1 95 . 1 . 1 12 12 LEU HD21 H 1 0.9170503633 0.004506978752 . 2 . . . . A 12 LEU HD21 . 34928 1 96 . 1 . 1 12 12 LEU HD22 H 1 0.9170503633 0.004506978752 . 2 . . . . A 12 LEU HD22 . 34928 1 97 . 1 . 1 12 12 LEU HD23 H 1 0.9170503633 0.004506978752 . 2 . . . . A 12 LEU HD23 . 34928 1 98 . 1 . 1 13 13 LYS H H 1 8.322098594 0.001141669943 . 1 . . . . A 13 LYS H . 34928 1 99 . 1 . 1 13 13 LYS HA H 1 3.974588398 0.001075262461 . 1 . . . . A 13 LYS HA . 34928 1 100 . 1 . 1 13 13 LYS HB2 H 1 1.959334722 0.004174731253 . 2 . . . . A 13 LYS HB2 . 34928 1 101 . 1 . 1 13 13 LYS HB3 H 1 1.959857511 0.004237054549 . 2 . . . . A 13 LYS HB3 . 34928 1 102 . 1 . 1 13 13 LYS HG2 H 1 1.428407791 0.006671463259 . 2 . . . . A 13 LYS HG2 . 34928 1 103 . 1 . 1 13 13 LYS HG3 H 1 1.583546788 0.001088810776 . 2 . . . . A 13 LYS HG3 . 34928 1 104 . 1 . 1 13 13 LYS HD2 H 1 1.658213058 0.003559224914 . 2 . . . . A 13 LYS HD2 . 34928 1 105 . 1 . 1 13 13 LYS HD3 H 1 1.660664804 0.004532227331 . 2 . . . . A 13 LYS HD3 . 34928 1 106 . 1 . 1 13 13 LYS HE2 H 1 2.946131939 0.001681077973 . 2 . . . . A 13 LYS HE2 . 34928 1 107 . 1 . 1 13 13 LYS HE3 H 1 2.946131939 0.001681077972 . 2 . . . . A 13 LYS HE3 . 34928 1 108 . 1 . 1 14 14 GLU H H 1 7.675825262 0.001358446905 . 1 . . . . A 14 GLU H . 34928 1 109 . 1 . 1 14 14 GLU HA H 1 4.175443457 0.0008148017772 . 1 . . . . A 14 GLU HA . 34928 1 110 . 1 . 1 14 14 GLU HB2 H 1 1.97230786 0.00277651817 . 2 . . . . A 14 GLU HB2 . 34928 1 111 . 1 . 1 14 14 GLU HB3 H 1 2.208107056 0.001872749903 . 2 . . . . A 14 GLU HB3 . 34928 1 112 . 1 . 1 14 14 GLU HG2 H 1 2.266285607 0.007419724896 . 2 . . . . A 14 GLU HG2 . 34928 1 113 . 1 . 1 14 14 GLU HG3 H 1 2.514824588 0.002076902918 . 2 . . . . A 14 GLU HG3 . 34928 1 114 . 1 . 1 15 15 GLY H H 1 7.560717876 0.001434918245 . 1 . . . . A 15 GLY H . 34928 1 115 . 1 . 1 15 15 GLY HA2 H 1 3.50554335 0.0009965586529 . 2 . . . . A 15 GLY HA2 . 34928 1 116 . 1 . 1 15 15 GLY HA3 H 1 4.144821239 0.00122397296 . 2 . . . . A 15 GLY HA3 . 34928 1 117 . 1 . 1 16 16 GLY H H 1 8.217660925 0.0005390450045 . 1 . . . . A 16 GLY H . 34928 1 118 . 1 . 1 16 16 GLY HA2 H 1 1.216779187 0.003025351628 . 2 . . . . A 16 GLY HA2 . 34928 1 119 . 1 . 1 16 16 GLY HA3 H 1 3.086227456 0.001154229801 . 2 . . . . A 16 GLY HA3 . 34928 1 120 . 1 . 1 17 17 PRO HA H 1 4.569088724 0.001805547789 . 1 . . . . A 17 PRO HA . 34928 1 121 . 1 . 1 17 17 PRO HB2 H 1 2.042141976 0.002501126521 . 2 . . . . A 17 PRO HB2 . 34928 1 122 . 1 . 1 17 17 PRO HB3 H 1 2.489574504 0.001309494199 . 2 . . . . A 17 PRO HB3 . 34928 1 123 . 1 . 1 17 17 PRO HG2 H 1 2.119316832 0.002317924654 . 2 . . . . A 17 PRO HG2 . 34928 1 124 . 1 . 1 17 17 PRO HG3 H 1 2.119316832 0.002317924654 . 2 . . . . A 17 PRO HG3 . 34928 1 125 . 1 . 1 17 17 PRO HD2 H 1 3.328427887 0.001867214364 . 2 . . . . A 17 PRO HD2 . 34928 1 126 . 1 . 1 17 17 PRO HD3 H 1 3.751278213 0.001864556113 . 2 . . . . A 17 PRO HD3 . 34928 1 127 . 1 . 1 18 18 SER H H 1 7.783181701 0 . 1 . . . . A 18 SER H . 34928 1 128 . 1 . 1 18 18 SER HA H 1 4.449965175 0 . 1 . . . . A 18 SER HA . 34928 1 129 . 1 . 1 18 18 SER HB2 H 1 3.920358855 0.001088623136 . 2 . . . . A 18 SER HB2 . 34928 1 130 . 1 . 1 18 18 SER HB3 H 1 3.920358855 0.001088623136 . 2 . . . . A 18 SER HB3 . 34928 1 131 . 1 . 1 19 19 SER H H 1 8.144287898 0.002400153382 . 1 . . . . A 19 SER H . 34928 1 132 . 1 . 1 19 19 SER HA H 1 4.233687368 0.001106436105 . 1 . . . . A 19 SER HA . 34928 1 133 . 1 . 1 19 19 SER HB2 H 1 3.597385112 0.002597548144 . 2 . . . . A 19 SER HB2 . 34928 1 134 . 1 . 1 19 19 SER HB3 H 1 3.919709539 0.001614694967 . 2 . . . . A 19 SER HB3 . 34928 1 135 . 1 . 1 20 20 GLY H H 1 7.959911152 0.003483126392 . 1 . . . . A 20 GLY H . 34928 1 136 . 1 . 1 20 20 GLY HA2 H 1 3.832345092 0.001368358201 . 2 . . . . A 20 GLY HA2 . 34928 1 137 . 1 . 1 20 20 GLY HA3 H 1 4.22689456 0.0026958506 . 2 . . . . A 20 GLY HA3 . 34928 1 138 . 1 . 1 21 21 ARG H H 1 8.058868435 0.001491213418 . 1 . . . . A 21 ARG H . 34928 1 139 . 1 . 1 21 21 ARG HA H 1 4.926306198 0.002127263574 . 1 . . . . A 21 ARG HA . 34928 1 140 . 1 . 1 21 21 ARG HB2 H 1 1.836772509 0.003979219172 . 2 . . . . A 21 ARG HB2 . 34928 1 141 . 1 . 1 21 21 ARG HB3 H 1 1.866511229 0.01194231853 . 2 . . . . A 21 ARG HB3 . 34928 1 142 . 1 . 1 21 21 ARG HG2 H 1 1.660339108 0.002818807699 . 2 . . . . A 21 ARG HG2 . 34928 1 143 . 1 . 1 21 21 ARG HG3 H 1 1.751428956 0.001805011141 . 2 . . . . A 21 ARG HG3 . 34928 1 144 . 1 . 1 21 21 ARG HD2 H 1 3.259424378 0.0004517059541 . 2 . . . . A 21 ARG HD2 . 34928 1 145 . 1 . 1 21 21 ARG HD3 H 1 3.259424378 0.0004517059521 . 2 . . . . A 21 ARG HD3 . 34928 1 146 . 1 . 1 22 22 PRO HA H 1 4.725963517 0.001338546586 . 1 . . . . A 22 PRO HA . 34928 1 147 . 1 . 1 22 22 PRO HB2 H 1 1.804254753 0.004627209968 . 2 . . . . A 22 PRO HB2 . 34928 1 148 . 1 . 1 22 22 PRO HB3 H 1 2.314233024 0.002665432464 . 2 . . . . A 22 PRO HB3 . 34928 1 149 . 1 . 1 22 22 PRO HG2 H 1 1.997334041 0.002308335999 . 2 . . . . A 22 PRO HG2 . 34928 1 150 . 1 . 1 22 22 PRO HG3 H 1 1.997334041 0.002308335998 . 2 . . . . A 22 PRO HG3 . 34928 1 151 . 1 . 1 22 22 PRO HD2 H 1 3.652317149 0.003160731487 . 2 . . . . A 22 PRO HD2 . 34928 1 152 . 1 . 1 22 22 PRO HD3 H 1 3.854686705 0.001534884693 . 2 . . . . A 22 PRO HD3 . 34928 1 153 . 1 . 1 23 23 PRO HA H 1 2.741763204 0.002134238432 . 1 . . . . A 23 PRO HA . 34928 1 154 . 1 . 1 23 23 PRO HB2 H 1 0.6260253133 0.004498466682 . 2 . . . . A 23 PRO HB2 . 34928 1 155 . 1 . 1 23 23 PRO HB3 H 1 1.419467743 0.003481232204 . 2 . . . . A 23 PRO HB3 . 34928 1 156 . 1 . 1 23 23 PRO HG2 H 1 1.663248421 0.00237267455 . 2 . . . . A 23 PRO HG2 . 34928 1 157 . 1 . 1 23 23 PRO HG3 H 1 1.755526954 0.001021124747 . 2 . . . . A 23 PRO HG3 . 34928 1 158 . 1 . 1 23 23 PRO HD2 H 1 3.511498244 0.006072550689 . 2 . . . . A 23 PRO HD2 . 34928 1 159 . 1 . 1 23 23 PRO HD3 H 1 3.511718787 0.006362924006 . 2 . . . . A 23 PRO HD3 . 34928 1 160 . 1 . 1 24 24 PRO HA H 1 4.300895135 0.001806868807 . 1 . . . . A 24 PRO HA . 34928 1 161 . 1 . 1 24 24 PRO HB2 H 1 1.986618904 0.003752985606 . 2 . . . . A 24 PRO HB2 . 34928 1 162 . 1 . 1 24 24 PRO HB3 H 1 2.210253553 0.00311756785 . 2 . . . . A 24 PRO HB3 . 34928 1 163 . 1 . 1 24 24 PRO HG2 H 1 1.822375229 0.002127923193 . 2 . . . . A 24 PRO HG2 . 34928 1 164 . 1 . 1 24 24 PRO HG3 H 1 1.919133022 0.002771676907 . 2 . . . . A 24 PRO HG3 . 34928 1 165 . 1 . 1 24 24 PRO HD2 H 1 2.995894914 0.001136597376 . 2 . . . . A 24 PRO HD2 . 34928 1 166 . 1 . 1 24 24 PRO HD3 H 1 3.112703776 0.002195808614 . 2 . . . . A 24 PRO HD3 . 34928 1 167 . 1 . 1 25 25 SER H H 1 7.687905824 0.002771812992 . 1 . . . . A 25 SER H . 34928 1 168 . 1 . 1 25 25 SER HA H 1 4.159116428 0.003855052981 . 1 . . . . A 25 SER HA . 34928 1 169 . 1 . 1 25 25 SER HB2 H 1 3.780480233 0.0007471342104 . 2 . . . . A 25 SER HB2 . 34928 1 170 . 1 . 1 25 25 SER HB3 H 1 3.780480233 0.0007471342104 . 2 . . . . A 25 SER HB3 . 34928 1 stop_ save_