################################### # 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 30952 _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 1D . . . 30952 1 2 '2D 1H-1H TOCSY' . . . 30952 1 3 '2D 1H-1H NOESY' . . . 30952 1 4 '2D 1H-13C HSQC' . . . 30952 1 5 '2D 1H-15N HSQC' . . . 30952 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 ASN HA H 1 3.843 0.000 . . . . . A A 1 ASN HA . 30952 1 2 . 1 . 1 1 1 ASN HB2 H 1 2.656 0.001 . . . . . A A 1 ASN HB2 . 30952 1 3 . 1 . 1 1 1 ASN HB3 H 1 2.560 0.000 . . . . . A A 1 ASN HB3 . 30952 1 4 . 1 . 1 1 1 ASN CB C 13 40.981 0.000 . . . . . A A 1 ASN CB . 30952 1 5 . 1 . 1 2 2 VAL H H 1 7.961 0.000 . . . . . A A 2 VAL H . 30952 1 6 . 1 . 1 2 2 VAL HA H 1 4.124 0.000 . . . . . A A 2 VAL HA . 30952 1 7 . 1 . 1 2 2 VAL HB H 1 2.040 0.000 . . . . . A A 2 VAL HB . 30952 1 8 . 1 . 1 2 2 VAL HG11 H 1 0.941 0.000 . . . . . A A 2 VAL HG11 . 30952 1 9 . 1 . 1 2 2 VAL HG12 H 1 0.941 0.000 . . . . . A A 2 VAL HG12 . 30952 1 10 . 1 . 1 2 2 VAL HG13 H 1 0.941 0.000 . . . . . A A 2 VAL HG13 . 30952 1 11 . 1 . 1 2 2 VAL HG21 H 1 0.904 0.000 . . . . . A A 2 VAL HG21 . 30952 1 12 . 1 . 1 2 2 VAL HG22 H 1 0.904 0.000 . . . . . A A 2 VAL HG22 . 30952 1 13 . 1 . 1 2 2 VAL HG23 H 1 0.904 0.000 . . . . . A A 2 VAL HG23 . 30952 1 14 . 1 . 1 2 2 VAL CA C 13 62.080 0.000 . . . . . A A 2 VAL CA . 30952 1 15 . 1 . 1 2 2 VAL CB C 13 32.694 0.000 . . . . . A A 2 VAL CB . 30952 1 16 . 1 . 1 3 3 VAL H H 1 8.295 0.000 . . . . . A A 3 VAL H . 30952 1 17 . 1 . 1 3 3 VAL HA H 1 4.446 0.000 . . . . . A A 3 VAL HA . 30952 1 18 . 1 . 1 3 3 VAL HB H 1 2.103 0.010 . . . . . A A 3 VAL HB . 30952 1 19 . 1 . 1 3 3 VAL CA C 13 59.556 0.000 . . . . . A A 3 VAL CA . 30952 1 20 . 1 . 1 3 3 VAL CB C 13 32.548 0.000 . . . . . A A 3 VAL CB . 30952 1 21 . 1 . 1 4 4 PRO HA H 1 4.370 0.000 . . . . . A A 4 PRO HA . 30952 1 22 . 1 . 1 4 4 PRO HB2 H 1 2.249 0.000 . . . . . A A 4 PRO HB2 . 30952 1 23 . 1 . 1 4 4 PRO HB3 H 1 1.881 0.000 . . . . . A A 4 PRO HB3 . 30952 1 24 . 1 . 1 4 4 PRO HG2 H 1 2.074 0.002 . . . . . A A 4 PRO HG2 . 30952 1 25 . 1 . 1 4 4 PRO HG3 H 1 1.979 0.000 . . . . . A A 4 PRO HG3 . 30952 1 26 . 1 . 1 4 4 PRO HD2 H 1 3.895 0.000 . . . . . A A 4 PRO HD2 . 30952 1 27 . 1 . 1 4 4 PRO HD3 H 1 3.737 0.001 . . . . . A A 4 PRO HD3 . 30952 1 28 . 1 . 1 4 4 PRO CA C 13 62.985 0.000 . . . . . A A 4 PRO CA . 30952 1 29 . 1 . 1 4 4 PRO CB C 13 31.928 0.000 . . . . . A A 4 PRO CB . 30952 1 30 . 1 . 1 4 4 PRO CG C 13 27.262 0.000 . . . . . A A 4 PRO CG . 30952 1 31 . 1 . 1 4 4 PRO CD C 13 50.864 0.000 . . . . . A A 4 PRO CD . 30952 1 32 . 1 . 1 5 5 CYS H H 1 8.106 0.000 . . . . . A A 5 CYS H . 30952 1 33 . 1 . 1 5 5 CYS HA H 1 5.141 0.002 . . . . . A A 5 CYS HA . 30952 1 34 . 1 . 1 5 5 CYS HB2 H 1 3.144 0.000 . . . . . A A 5 CYS HB2 . 30952 1 35 . 1 . 1 5 5 CYS HB3 H 1 2.653 0.000 . . . . . A A 5 CYS HB3 . 30952 1 36 . 1 . 1 5 5 CYS CA C 13 54.509 0.000 . . . . . A A 5 CYS CA . 30952 1 37 . 1 . 1 6 6 PHE H H 1 8.664 0.000 . . . . . A A 6 PHE H . 30952 1 38 . 1 . 1 6 6 PHE HA H 1 4.980 0.000 . . . . . A A 6 PHE HA . 30952 1 39 . 1 . 1 6 6 PHE HB2 H 1 3.118 0.000 . . . . . A A 6 PHE HB2 . 30952 1 40 . 1 . 1 6 6 PHE HB3 H 1 3.059 0.004 . . . . . A A 6 PHE HB3 . 30952 1 41 . 1 . 1 6 6 PHE HD1 H 1 7.253 0.000 . . . . . A A 6 PHE HD1 . 30952 1 42 . 1 . 1 6 6 PHE HD2 H 1 7.253 0.000 . . . . . A A 6 PHE HD2 . 30952 1 43 . 1 . 1 6 6 PHE HE1 H 1 7.305 0.000 . . . . . A A 6 PHE HE1 . 30952 1 44 . 1 . 1 6 6 PHE HE2 H 1 7.305 0.000 . . . . . A A 6 PHE HE2 . 30952 1 45 . 1 . 1 6 6 PHE CA C 13 56.758 0.000 . . . . . A A 6 PHE CA . 30952 1 46 . 1 . 1 6 6 PHE CB C 13 41.095 0.000 . . . . . A A 6 PHE CB . 30952 1 47 . 1 . 1 7 7 CYS H H 1 8.603 0.000 . . . . . A A 7 CYS H . 30952 1 48 . 1 . 1 7 7 CYS HA H 1 5.504 0.001 . . . . . A A 7 CYS HA . 30952 1 49 . 1 . 1 7 7 CYS HB2 H 1 2.991 0.000 . . . . . A A 7 CYS HB2 . 30952 1 50 . 1 . 1 7 7 CYS HB3 H 1 2.488 0.000 . . . . . A A 7 CYS HB3 . 30952 1 51 . 1 . 1 7 7 CYS CA C 13 55.288 0.000 . . . . . A A 7 CYS CA . 30952 1 52 . 1 . 1 7 7 CYS CB C 13 48.154 0.000 . . . . . A A 7 CYS CB . 30952 1 53 . 1 . 1 8 8 VAL H H 1 8.661 0.000 . . . . . A A 8 VAL H . 30952 1 54 . 1 . 1 8 8 VAL HA H 1 4.293 0.000 . . . . . A A 8 VAL HA . 30952 1 55 . 1 . 1 8 8 VAL HB H 1 1.981 0.001 . . . . . A A 8 VAL HB . 30952 1 56 . 1 . 1 8 8 VAL CA C 13 60.363 0.000 . . . . . A A 8 VAL CA . 30952 1 57 . 1 . 1 8 8 VAL CB C 13 34.735 0.000 . . . . . A A 8 VAL CB . 30952 1 58 . 1 . 1 9 9 GLU H H 1 8.542 0.000 . . . . . A A 9 GLU H . 30952 1 59 . 1 . 1 9 9 GLU HA H 1 4.718 0.000 . . . . . A A 9 GLU HA . 30952 1 60 . 1 . 1 9 9 GLU HB2 H 1 1.809 0.000 . . . . . A A 9 GLU HB2 . 30952 1 61 . 1 . 1 9 9 GLU HB3 H 1 1.783 0.000 . . . . . A A 9 GLU HB3 . 30952 1 62 . 1 . 1 9 9 GLU HG2 H 1 1.974 0.000 . . . . . A A 9 GLU HG2 . 30952 1 63 . 1 . 1 9 9 GLU HG3 H 1 1.974 0.000 . . . . . A A 9 GLU HG3 . 30952 1 64 . 1 . 1 9 9 GLU CA C 13 54.924 0.000 . . . . . A A 9 GLU CA . 30952 1 65 . 1 . 1 9 9 GLU CB C 13 31.600 0.000 . . . . . A A 9 GLU CB . 30952 1 66 . 1 . 1 9 9 GLU CG C 13 36.229 0.000 . . . . . A A 9 GLU CG . 30952 1 67 . 1 . 1 10 10 ASP H H 1 8.572 0.000 . . . . . A A 10 ASP H . 30952 1 68 . 1 . 1 10 10 ASP HA H 1 4.630 0.000 . . . . . A A 10 ASP HA . 30952 1 69 . 1 . 1 10 10 ASP HB2 H 1 2.950 0.000 . . . . . A A 10 ASP HB2 . 30952 1 70 . 1 . 1 10 10 ASP HB3 H 1 2.619 0.000 . . . . . A A 10 ASP HB3 . 30952 1 71 . 1 . 1 10 10 ASP CA C 13 53.805 0.000 . . . . . A A 10 ASP CA . 30952 1 72 . 1 . 1 10 10 ASP CB C 13 42.432 0.000 . . . . . A A 10 ASP CB . 30952 1 73 . 1 . 1 11 11 GLU H H 1 9.155 0.000 . . . . . A A 11 GLU H . 30952 1 74 . 1 . 1 11 11 GLU HA H 1 4.095 0.000 . . . . . A A 11 GLU HA . 30952 1 75 . 1 . 1 11 11 GLU HB2 H 1 2.097 0.000 . . . . . A A 11 GLU HB2 . 30952 1 76 . 1 . 1 11 11 GLU HB3 H 1 2.078 0.000 . . . . . A A 11 GLU HB3 . 30952 1 77 . 1 . 1 11 11 GLU HG2 H 1 2.321 0.000 . . . . . A A 11 GLU HG2 . 30952 1 78 . 1 . 1 11 11 GLU HG3 H 1 2.321 0.000 . . . . . A A 11 GLU HG3 . 30952 1 79 . 1 . 1 11 11 GLU CA C 13 58.828 0.000 . . . . . A A 11 GLU CA . 30952 1 80 . 1 . 1 11 11 GLU CB C 13 29.705 0.000 . . . . . A A 11 GLU CB . 30952 1 81 . 1 . 1 11 11 GLU CG C 13 36.229 0.000 . . . . . A A 11 GLU CG . 30952 1 82 . 1 . 1 12 12 THR H H 1 8.459 0.000 . . . . . A A 12 THR H . 30952 1 83 . 1 . 1 12 12 THR HA H 1 4.214 0.000 . . . . . A A 12 THR HA . 30952 1 84 . 1 . 1 12 12 THR HB H 1 4.240 0.000 . . . . . A A 12 THR HB . 30952 1 85 . 1 . 1 12 12 THR HG21 H 1 1.229 0.000 . . . . . A A 12 THR HG21 . 30952 1 86 . 1 . 1 12 12 THR HG22 H 1 1.229 0.000 . . . . . A A 12 THR HG22 . 30952 1 87 . 1 . 1 12 12 THR HG23 H 1 1.229 0.000 . . . . . A A 12 THR HG23 . 30952 1 88 . 1 . 1 12 12 THR CA C 13 64.598 0.000 . . . . . A A 12 THR CA . 30952 1 89 . 1 . 1 12 12 THR CB C 13 68.820 0.000 . . . . . A A 12 THR CB . 30952 1 90 . 1 . 1 13 13 SER H H 1 8.386 0.000 . . . . . A A 13 SER H . 30952 1 91 . 1 . 1 13 13 SER HA H 1 4.542 0.001 . . . . . A A 13 SER HA . 30952 1 92 . 1 . 1 13 13 SER HB2 H 1 4.029 0.000 . . . . . A A 13 SER HB2 . 30952 1 93 . 1 . 1 13 13 SER HB3 H 1 3.799 0.004 . . . . . A A 13 SER HB3 . 30952 1 94 . 1 . 1 13 13 SER CA C 13 58.489 0.000 . . . . . A A 13 SER CA . 30952 1 95 . 1 . 1 13 13 SER CB C 13 65.359 0.000 . . . . . A A 13 SER CB . 30952 1 96 . 1 . 1 14 14 GLY H H 1 8.251 0.000 . . . . . A A 14 GLY H . 30952 1 97 . 1 . 1 14 14 GLY HA2 H 1 3.828 0.000 . . . . . A A 14 GLY HA2 . 30952 1 98 . 1 . 1 14 14 GLY HA3 H 1 4.167 0.000 . . . . . A A 14 GLY HA3 . 30952 1 99 . 1 . 1 14 14 GLY CA C 13 45.569 0.000 . . . . . A A 14 GLY CA . 30952 1 100 . 1 . 1 15 15 ALA H H 1 7.905 0.000 . . . . . A A 15 ALA H . 30952 1 101 . 1 . 1 15 15 ALA HA H 1 4.306 0.000 . . . . . A A 15 ALA HA . 30952 1 102 . 1 . 1 15 15 ALA HB1 H 1 1.332 0.001 . . . . . A A 15 ALA HB1 . 30952 1 103 . 1 . 1 15 15 ALA HB2 H 1 1.332 0.001 . . . . . A A 15 ALA HB2 . 30952 1 104 . 1 . 1 15 15 ALA HB3 H 1 1.332 0.001 . . . . . A A 15 ALA HB3 . 30952 1 105 . 1 . 1 15 15 ALA CA C 13 52.218 0.000 . . . . . A A 15 ALA CA . 30952 1 106 . 1 . 1 15 15 ALA CB C 13 19.498 0.000 . . . . . A A 15 ALA CB . 30952 1 107 . 1 . 1 16 16 LYS H H 1 8.628 0.000 . . . . . A A 16 LYS H . 30952 1 108 . 1 . 1 16 16 LYS HA H 1 5.031 0.000 . . . . . A A 16 LYS HA . 30952 1 109 . 1 . 1 16 16 LYS HB2 H 1 1.700 0.000 . . . . . A A 16 LYS HB2 . 30952 1 110 . 1 . 1 16 16 LYS HB3 H 1 1.700 0.000 . . . . . A A 16 LYS HB3 . 30952 1 111 . 1 . 1 16 16 LYS HG2 H 1 1.328 0.000 . . . . . A A 16 LYS HG2 . 30952 1 112 . 1 . 1 16 16 LYS HG3 H 1 1.231 0.000 . . . . . A A 16 LYS HG3 . 30952 1 113 . 1 . 1 16 16 LYS HD2 H 1 1.608 0.000 . . . . . A A 16 LYS HD2 . 30952 1 114 . 1 . 1 16 16 LYS HD3 H 1 1.608 0.000 . . . . . A A 16 LYS HD3 . 30952 1 115 . 1 . 1 16 16 LYS HE2 H 1 2.893 0.000 . . . . . A A 16 LYS HE2 . 30952 1 116 . 1 . 1 16 16 LYS HE3 H 1 2.893 0.000 . . . . . A A 16 LYS HE3 . 30952 1 117 . 1 . 1 16 16 LYS CA C 13 55.461 0.000 . . . . . A A 16 LYS CA . 30952 1 118 . 1 . 1 16 16 LYS CG C 13 25.112 0.000 . . . . . A A 16 LYS CG . 30952 1 119 . 1 . 1 16 16 LYS CD C 13 29.340 0.000 . . . . . A A 16 LYS CD . 30952 1 120 . 1 . 1 16 16 LYS CE C 13 41.720 0.000 . . . . . A A 16 LYS CE . 30952 1 121 . 1 . 1 17 17 THR H H 1 8.739 0.000 . . . . . A A 17 THR H . 30952 1 122 . 1 . 1 17 17 THR HA H 1 4.537 0.000 . . . . . A A 17 THR HA . 30952 1 123 . 1 . 1 17 17 THR HB H 1 3.992 0.002 . . . . . A A 17 THR HB . 30952 1 124 . 1 . 1 17 17 THR HG21 H 1 1.184 0.001 . . . . . A A 17 THR HG21 . 30952 1 125 . 1 . 1 17 17 THR HG22 H 1 1.184 0.001 . . . . . A A 17 THR HG22 . 30952 1 126 . 1 . 1 17 17 THR HG23 H 1 1.184 0.001 . . . . . A A 17 THR HG23 . 30952 1 127 . 1 . 1 17 17 THR CA C 13 61.716 0.000 . . . . . A A 17 THR CA . 30952 1 128 . 1 . 1 17 17 THR CB C 13 70.608 0.000 . . . . . A A 17 THR CB . 30952 1 129 . 1 . 1 18 18 CYS H H 1 9.025 0.000 . . . . . A A 18 CYS H . 30952 1 130 . 1 . 1 18 18 CYS HA H 1 5.584 0.002 . . . . . A A 18 CYS HA . 30952 1 131 . 1 . 1 18 18 CYS HB2 H 1 3.338 0.000 . . . . . A A 18 CYS HB2 . 30952 1 132 . 1 . 1 18 18 CYS HB3 H 1 3.084 0.000 . . . . . A A 18 CYS HB3 . 30952 1 133 . 1 . 1 18 18 CYS CA C 13 55.605 0.000 . . . . . A A 18 CYS CA . 30952 1 134 . 1 . 1 18 18 CYS CB C 13 40.048 0.000 . . . . . A A 18 CYS CB . 30952 1 135 . 1 . 1 19 19 ILE H H 1 8.922 0.000 . . . . . A A 19 ILE H . 30952 1 136 . 1 . 1 19 19 ILE HA H 1 4.223 0.000 . . . . . A A 19 ILE HA . 30952 1 137 . 1 . 1 19 19 ILE HB H 1 1.809 0.006 . . . . . A A 19 ILE HB . 30952 1 138 . 1 . 1 19 19 ILE HG12 H 1 1.570 0.005 . . . . . A A 19 ILE HG12 . 30952 1 139 . 1 . 1 19 19 ILE HG13 H 1 1.570 0.005 . . . . . A A 19 ILE HG13 . 30952 1 140 . 1 . 1 19 19 ILE HG21 H 1 1.117 0.000 . . . . . A A 19 ILE HG21 . 30952 1 141 . 1 . 1 19 19 ILE HG22 H 1 1.117 0.000 . . . . . A A 19 ILE HG22 . 30952 1 142 . 1 . 1 19 19 ILE HG23 H 1 1.117 0.000 . . . . . A A 19 ILE HG23 . 30952 1 143 . 1 . 1 19 19 ILE HD11 H 1 0.918 0.002 . . . . . A A 19 ILE HD11 . 30952 1 144 . 1 . 1 19 19 ILE HD12 H 1 0.918 0.002 . . . . . A A 19 ILE HD12 . 30952 1 145 . 1 . 1 19 19 ILE HD13 H 1 0.918 0.002 . . . . . A A 19 ILE HD13 . 30952 1 146 . 1 . 1 19 19 ILE CA C 13 58.206 0.000 . . . . . A A 19 ILE CA . 30952 1 147 . 1 . 1 19 19 ILE CB C 13 41.624 0.000 . . . . . A A 19 ILE CB . 30952 1 148 . 1 . 1 20 20 PRO HA H 1 4.723 0.001 . . . . . A A 20 PRO HA . 30952 1 149 . 1 . 1 20 20 PRO HB2 H 1 2.489 0.003 . . . . . A A 20 PRO HB2 . 30952 1 150 . 1 . 1 20 20 PRO HB3 H 1 1.867 0.000 . . . . . A A 20 PRO HB3 . 30952 1 151 . 1 . 1 20 20 PRO HG2 H 1 2.000 0.000 . . . . . A A 20 PRO HG2 . 30952 1 152 . 1 . 1 20 20 PRO HG3 H 1 1.911 0.000 . . . . . A A 20 PRO HG3 . 30952 1 153 . 1 . 1 20 20 PRO HD2 H 1 3.757 0.003 . . . . . A A 20 PRO HD2 . 30952 1 154 . 1 . 1 20 20 PRO HD3 H 1 3.684 0.001 . . . . . A A 20 PRO HD3 . 30952 1 155 . 1 . 1 20 20 PRO CA C 13 63.121 0.000 . . . . . A A 20 PRO CA . 30952 1 156 . 1 . 1 20 20 PRO CD C 13 50.184 0.000 . . . . . A A 20 PRO CD . 30952 1 157 . 1 . 1 21 21 ASP H H 1 8.369 0.000 . . . . . A A 21 ASP H . 30952 1 158 . 1 . 1 21 21 ASP HA H 1 4.302 0.000 . . . . . A A 21 ASP HA . 30952 1 159 . 1 . 1 21 21 ASP HB2 H 1 2.639 0.000 . . . . . A A 21 ASP HB2 . 30952 1 160 . 1 . 1 21 21 ASP HB3 H 1 2.536 0.000 . . . . . A A 21 ASP HB3 . 30952 1 161 . 1 . 1 21 21 ASP CA C 13 55.913 0.000 . . . . . A A 21 ASP CA . 30952 1 162 . 1 . 1 21 21 ASP CB C 13 42.108 0.000 . . . . . A A 21 ASP CB . 30952 1 163 . 1 . 1 22 22 ASN H H 1 8.852 0.000 . . . . . A A 22 ASN H . 30952 1 164 . 1 . 1 22 22 ASN HA H 1 4.502 0.000 . . . . . A A 22 ASN HA . 30952 1 165 . 1 . 1 22 22 ASN HB2 H 1 3.047 0.002 . . . . . A A 22 ASN HB2 . 30952 1 166 . 1 . 1 22 22 ASN HB3 H 1 2.715 0.000 . . . . . A A 22 ASN HB3 . 30952 1 167 . 1 . 1 22 22 ASN HD21 H 1 7.599 0.000 . . . . . A A 22 ASN HD21 . 30952 1 168 . 1 . 1 22 22 ASN HD22 H 1 6.859 0.000 . . . . . A A 22 ASN HD22 . 30952 1 169 . 1 . 1 22 22 ASN CA C 13 54.144 0.000 . . . . . A A 22 ASN CA . 30952 1 170 . 1 . 1 22 22 ASN CB C 13 40.064 0.000 . . . . . A A 22 ASN CB . 30952 1 171 . 1 . 1 23 23 CYS H H 1 7.843 0.000 . . . . . A A 23 CYS H . 30952 1 172 . 1 . 1 23 23 CYS HA H 1 4.405 0.000 . . . . . A A 23 CYS HA . 30952 1 173 . 1 . 1 23 23 CYS HB2 H 1 3.382 0.001 . . . . . A A 23 CYS HB2 . 30952 1 174 . 1 . 1 23 23 CYS HB3 H 1 2.930 0.001 . . . . . A A 23 CYS HB3 . 30952 1 175 . 1 . 1 23 23 CYS CA C 13 56.173 0.000 . . . . . A A 23 CYS CA . 30952 1 176 . 1 . 1 24 24 ASP H H 1 8.468 0.000 . . . . . A A 24 ASP H . 30952 1 177 . 1 . 1 24 24 ASP HA H 1 4.470 0.000 . . . . . A A 24 ASP HA . 30952 1 178 . 1 . 1 24 24 ASP HB2 H 1 2.712 0.003 . . . . . A A 24 ASP HB2 . 30952 1 179 . 1 . 1 24 24 ASP HB3 H 1 2.712 0.003 . . . . . A A 24 ASP HB3 . 30952 1 180 . 1 . 1 24 24 ASP CA C 13 58.776 0.000 . . . . . A A 24 ASP CA . 30952 1 181 . 1 . 1 24 24 ASP CB C 13 37.637 0.000 . . . . . A A 24 ASP CB . 30952 1 182 . 1 . 1 25 25 ALA H H 1 7.855 0.000 . . . . . A A 25 ALA H . 30952 1 183 . 1 . 1 25 25 ALA HA H 1 4.221 0.000 . . . . . A A 25 ALA HA . 30952 1 184 . 1 . 1 25 25 ALA HB1 H 1 1.402 0.003 . . . . . A A 25 ALA HB1 . 30952 1 185 . 1 . 1 25 25 ALA HB2 H 1 1.402 0.003 . . . . . A A 25 ALA HB2 . 30952 1 186 . 1 . 1 25 25 ALA HB3 H 1 1.402 0.003 . . . . . A A 25 ALA HB3 . 30952 1 187 . 1 . 1 25 25 ALA CA C 13 52.843 0.000 . . . . . A A 25 ALA CA . 30952 1 188 . 1 . 1 25 25 ALA CB C 13 18.806 0.000 . . . . . A A 25 ALA CB . 30952 1 189 . 1 . 1 26 26 SER H H 1 8.124 0.000 . . . . . A A 26 SER H . 30952 1 190 . 1 . 1 26 26 SER HA H 1 4.378 0.000 . . . . . A A 26 SER HA . 30952 1 191 . 1 . 1 26 26 SER HB2 H 1 3.884 0.000 . . . . . A A 26 SER HB2 . 30952 1 192 . 1 . 1 26 26 SER HB3 H 1 3.884 0.000 . . . . . A A 26 SER HB3 . 30952 1 193 . 1 . 1 26 26 SER CA C 13 59.036 0.000 . . . . . A A 26 SER CA . 30952 1 194 . 1 . 1 26 26 SER CB C 13 63.532 0.000 . . . . . A A 26 SER CB . 30952 1 195 . 1 . 1 27 27 ARG H H 1 8.165 0.000 . . . . . A A 27 ARG H . 30952 1 196 . 1 . 1 27 27 ARG HA H 1 4.372 0.000 . . . . . A A 27 ARG HA . 30952 1 197 . 1 . 1 27 27 ARG HB2 H 1 1.904 0.003 . . . . . A A 27 ARG HB2 . 30952 1 198 . 1 . 1 27 27 ARG HB3 H 1 1.784 0.000 . . . . . A A 27 ARG HB3 . 30952 1 199 . 1 . 1 27 27 ARG HG2 H 1 1.649 0.000 . . . . . A A 27 ARG HG2 . 30952 1 200 . 1 . 1 27 27 ARG HG3 H 1 1.649 0.000 . . . . . A A 27 ARG HG3 . 30952 1 201 . 1 . 1 27 27 ARG HD2 H 1 3.194 0.000 . . . . . A A 27 ARG HD2 . 30952 1 202 . 1 . 1 27 27 ARG HD3 H 1 3.194 0.000 . . . . . A A 27 ARG HD3 . 30952 1 203 . 1 . 1 27 27 ARG HE H 1 7.119 0.000 . . . . . A A 27 ARG HE . 30952 1 204 . 1 . 1 27 27 ARG CA C 13 55.333 0.000 . . . . . A A 27 ARG CA . 30952 1 205 . 1 . 1 27 27 ARG CB C 13 34.480 0.000 . . . . . A A 27 ARG CB . 30952 1 206 . 1 . 1 27 27 ARG CG C 13 25.586 0.000 . . . . . A A 27 ARG CG . 30952 1 207 . 1 . 1 27 27 ARG CD C 13 43.244 0.000 . . . . . A A 27 ARG CD . 30952 1 208 . 1 . 1 28 28 GLY H H 1 8.319 0.000 . . . . . A A 28 GLY H . 30952 1 209 . 1 . 1 28 28 GLY HA2 H 1 4.009 0.000 . . . . . A A 28 GLY HA2 . 30952 1 210 . 1 . 1 28 28 GLY HA3 H 1 4.009 0.000 . . . . . A A 28 GLY HA3 . 30952 1 211 . 1 . 1 28 28 GLY CA C 13 45.218 0.000 . . . . . A A 28 GLY CA . 30952 1 212 . 1 . 1 29 29 THR H H 1 8.048 0.000 . . . . . A A 29 THR H . 30952 1 213 . 1 . 1 29 29 THR HA H 1 4.327 0.000 . . . . . A A 29 THR HA . 30952 1 214 . 1 . 1 29 29 THR HB H 1 4.203 0.000 . . . . . A A 29 THR HB . 30952 1 215 . 1 . 1 29 29 THR HG21 H 1 1.173 0.000 . . . . . A A 29 THR HG21 . 30952 1 216 . 1 . 1 29 29 THR HG22 H 1 1.173 0.000 . . . . . A A 29 THR HG22 . 30952 1 217 . 1 . 1 29 29 THR HG23 H 1 1.173 0.000 . . . . . A A 29 THR HG23 . 30952 1 218 . 1 . 1 29 29 THR CA C 13 61.509 0.000 . . . . . A A 29 THR CA . 30952 1 219 . 1 . 1 29 29 THR CB C 13 69.890 0.000 . . . . . A A 29 THR CB . 30952 1 220 . 1 . 1 30 30 ASN H H 1 8.173 0.000 . . . . . A A 30 ASN H . 30952 1 221 . 1 . 1 30 30 ASN HA H 1 4.905 0.000 . . . . . A A 30 ASN HA . 30952 1 222 . 1 . 1 30 30 ASN HB2 H 1 2.710 0.000 . . . . . A A 30 ASN HB2 . 30952 1 223 . 1 . 1 30 30 ASN HB3 H 1 2.604 0.000 . . . . . A A 30 ASN HB3 . 30952 1 224 . 1 . 1 30 30 ASN HD21 H 1 7.639 0.000 . . . . . A A 30 ASN HD21 . 30952 1 225 . 1 . 1 30 30 ASN HD22 H 1 6.912 0.000 . . . . . A A 30 ASN HD22 . 30952 1 226 . 1 . 1 30 30 ASN CA C 13 56.884 0.000 . . . . . A A 30 ASN CA . 30952 1 227 . 1 . 1 30 30 ASN CB C 13 40.903 0.000 . . . . . A A 30 ASN CB . 30952 1 228 . 1 . 1 31 31 PRO HA H 1 4.231 0.000 . . . . . A A 31 PRO HA . 30952 1 229 . 1 . 1 31 31 PRO HB2 H 1 2.196 0.000 . . . . . A A 31 PRO HB2 . 30952 1 230 . 1 . 1 31 31 PRO HB3 H 1 2.196 0.000 . . . . . A A 31 PRO HB3 . 30952 1 231 . 1 . 1 31 31 PRO HG2 H 1 1.984 0.000 . . . . . A A 31 PRO HG2 . 30952 1 232 . 1 . 1 31 31 PRO HG3 H 1 1.984 0.000 . . . . . A A 31 PRO HG3 . 30952 1 233 . 1 . 1 31 31 PRO HD2 H 1 3.735 0.000 . . . . . A A 31 PRO HD2 . 30952 1 234 . 1 . 1 31 31 PRO HD3 H 1 3.661 0.000 . . . . . A A 31 PRO HD3 . 30952 1 235 . 1 . 1 31 31 PRO CA C 13 64.598 0.000 . . . . . A A 31 PRO CA . 30952 1 236 . 1 . 1 31 31 PRO CB C 13 31.965 0.000 . . . . . A A 31 PRO CB . 30952 1 237 . 1 . 1 31 31 PRO CD C 13 50.260 0.000 . . . . . A A 31 PRO CD . 30952 1 stop_ save_