################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17024 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 'Standard deviation across measurements' _Assigned_chem_shift_list.Details 'Chemical Shifts for the ZNF216 A20 domain in complex with ubiquitin' _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-15N HSQC' . . . 17024 1 4 '3D 1H-15N NOESY' . . . 17024 1 5 '3D CBCA(CO)NH' . . . 17024 1 6 '3D HNCO' . . . 17024 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CcpNMR . . 17024 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 SER C C 13 174.606 0.150 . 1 . . . . 2 SER C . 17024 1 2 . 1 1 2 2 SER CA C 13 58.381 0.150 . 1 . . . . 2 SER CA . 17024 1 3 . 1 1 2 2 SER CB C 13 64.148 0.150 . 1 . . . . 2 SER CB . 17024 1 4 . 1 1 3 3 MET H H 1 8.571 0.002 . 1 . . . . 3 MET H . 17024 1 5 . 1 1 3 3 MET C C 13 176.070 0.150 . 1 . . . . 3 MET C . 17024 1 6 . 1 1 3 3 MET CA C 13 55.960 0.150 . 1 . . . . 3 MET CA . 17024 1 7 . 1 1 3 3 MET CB C 13 32.680 0.150 . 1 . . . . 3 MET CB . 17024 1 8 . 1 1 3 3 MET N N 15 122.387 0.081 . 1 . . . . 3 MET N . 17024 1 9 . 1 1 4 4 ALA H H 1 8.357 0.006 . 1 . . . . 4 ALA H . 17024 1 10 . 1 1 4 4 ALA C C 13 177.616 0.150 . 1 . . . . 4 ALA C . 17024 1 11 . 1 1 4 4 ALA CA C 13 52.778 0.150 . 1 . . . . 4 ALA CA . 17024 1 12 . 1 1 4 4 ALA CB C 13 18.914 0.150 . 1 . . . . 4 ALA CB . 17024 1 13 . 1 1 4 4 ALA N N 15 125.339 0.031 . 1 . . . . 4 ALA N . 17024 1 14 . 1 1 5 5 GLN H H 1 8.326 0.007 . 1 . . . . 5 GLN H . 17024 1 15 . 1 1 5 5 GLN HE21 H 1 6.863 0.001 . 1 . . . . 5 GLN HE21 . 17024 1 16 . 1 1 5 5 GLN HE22 H 1 7.545 0.001 . 1 . . . . 5 GLN HE22 . 17024 1 17 . 1 1 5 5 GLN C C 13 176.073 0.150 . 1 . . . . 5 GLN C . 17024 1 18 . 1 1 5 5 GLN CA C 13 56.297 0.150 . 1 . . . . 5 GLN CA . 17024 1 19 . 1 1 5 5 GLN CB C 13 29.518 0.150 . 1 . . . . 5 GLN CB . 17024 1 20 . 1 1 5 5 GLN CD C 13 180.561 0.005 . 1 . . . . 5 GLN CD . 17024 1 21 . 1 1 5 5 GLN N N 15 119.416 0.018 . 1 . . . . 5 GLN N . 17024 1 22 . 1 1 5 5 GLN NE2 N 15 112.177 0.228 . 1 . . . . 5 GLN NE2 . 17024 1 23 . 1 1 6 6 GLU H H 1 8.486 0.005 . 1 . . . . 6 GLU H . 17024 1 24 . 1 1 6 6 GLU C C 13 176.743 0.150 . 1 . . . . 6 GLU C . 17024 1 25 . 1 1 6 6 GLU CA C 13 56.813 0.150 . 1 . . . . 6 GLU CA . 17024 1 26 . 1 1 6 6 GLU CB C 13 30.076 0.150 . 1 . . . . 6 GLU CB . 17024 1 27 . 1 1 6 6 GLU N N 15 122.289 0.028 . 1 . . . . 6 GLU N . 17024 1 28 . 1 1 7 7 THR H H 1 8.222 0.007 . 1 . . . . 7 THR H . 17024 1 29 . 1 1 7 7 THR C C 13 174.282 0.150 . 1 . . . . 7 THR C . 17024 1 30 . 1 1 7 7 THR CA C 13 62.070 0.150 . 1 . . . . 7 THR CA . 17024 1 31 . 1 1 7 7 THR CB C 13 69.975 0.150 . 1 . . . . 7 THR CB . 17024 1 32 . 1 1 7 7 THR N N 15 114.823 0.026 . 1 . . . . 7 THR N . 17024 1 33 . 1 1 8 8 ASN H H 1 8.489 0.006 . 1 . . . . 8 ASN H . 17024 1 34 . 1 1 8 8 ASN HD21 H 1 6.948 0.001 . 1 . . . . 8 ASN HD21 . 17024 1 35 . 1 1 8 8 ASN HD22 H 1 7.619 0.150 . 1 . . . . 8 ASN HD22 . 17024 1 36 . 1 1 8 8 ASN C C 13 175.019 0.150 . 1 . . . . 8 ASN C . 17024 1 37 . 1 1 8 8 ASN CA C 13 53.729 0.150 . 1 . . . . 8 ASN CA . 17024 1 38 . 1 1 8 8 ASN CB C 13 38.893 0.150 . 1 . . . . 8 ASN CB . 17024 1 39 . 1 1 8 8 ASN CG C 13 177.015 0.024 . 1 . . . . 8 ASN CG . 17024 1 40 . 1 1 8 8 ASN N N 15 121.001 0.012 . 1 . . . . 8 ASN N . 17024 1 41 . 1 1 8 8 ASN ND2 N 15 112.532 0.242 . 1 . . . . 8 ASN ND2 . 17024 1 42 . 1 1 9 9 GLN H H 1 8.374 0.007 . 1 . . . . 9 GLN H . 17024 1 43 . 1 1 9 9 GLN HA H 1 4.165 0.020 . 1 . . . . 9 GLN HA . 17024 1 44 . 1 1 9 9 GLN HE21 H 1 6.849 0.001 . 1 . . . . 9 GLN HE21 . 17024 1 45 . 1 1 9 9 GLN HE22 H 1 7.523 0.001 . 1 . . . . 9 GLN HE22 . 17024 1 46 . 1 1 9 9 GLN C C 13 175.901 0.150 . 1 . . . . 9 GLN C . 17024 1 47 . 1 1 9 9 GLN CA C 13 56.485 0.150 . 1 . . . . 9 GLN CA . 17024 1 48 . 1 1 9 9 GLN CB C 13 29.796 0.150 . 1 . . . . 9 GLN CB . 17024 1 49 . 1 1 9 9 GLN CD C 13 180.526 0.150 . 1 . . . . 9 GLN CD . 17024 1 50 . 1 1 9 9 GLN N N 15 120.750 0.005 . 1 . . . . 9 GLN N . 17024 1 51 . 1 1 9 9 GLN NE2 N 15 112.364 0.159 . 1 . . . . 9 GLN NE2 . 17024 1 52 . 1 1 10 10 THR H H 1 8.303 0.006 . 1 . . . . 10 THR H . 17024 1 53 . 1 1 10 10 THR HA H 1 4.385 0.150 . 1 . . . . 10 THR HA . 17024 1 54 . 1 1 10 10 THR N N 15 118.259 0.030 . 1 . . . . 10 THR N . 17024 1 55 . 1 1 11 11 PRO C C 13 177.090 0.150 . 1 . . . . 11 PRO C . 17024 1 56 . 1 1 11 11 PRO CA C 13 63.586 0.150 . 1 . . . . 11 PRO CA . 17024 1 57 . 1 1 11 11 PRO CB C 13 31.968 0.150 . 1 . . . . 11 PRO CB . 17024 1 58 . 1 1 12 12 GLY H H 1 8.250 0.006 . 1 . . . . 12 GLY H . 17024 1 59 . 1 1 12 12 GLY N N 15 109.445 0.006 . 1 . . . . 12 GLY N . 17024 1 60 . 1 1 13 13 PRO HA H 1 4.460 0.150 . 1 . . . . 13 PRO HA . 17024 1 61 . 1 1 13 13 PRO C C 13 176.366 0.150 . 1 . . . . 13 PRO C . 17024 1 62 . 1 1 13 13 PRO CA C 13 63.134 0.150 . 1 . . . . 13 PRO CA . 17024 1 63 . 1 1 13 13 PRO CB C 13 32.018 0.150 . 1 . . . . 13 PRO CB . 17024 1 64 . 1 1 14 14 MET H H 1 8.719 0.003 . 1 . . . . 14 MET H . 17024 1 65 . 1 1 14 14 MET HA H 1 4.652 0.010 . 1 . . . . 14 MET HA . 17024 1 66 . 1 1 14 14 MET HB2 H 1 1.976 0.004 . 2 . . . . 14 MET HB2 . 17024 1 67 . 1 1 14 14 MET HB3 H 1 2.038 0.004 . 2 . . . . 14 MET HB3 . 17024 1 68 . 1 1 14 14 MET HG2 H 1 2.530 0.002 . 1 . . . . 14 MET HG2 . 17024 1 69 . 1 1 14 14 MET C C 13 175.802 0.150 . 1 . . . . 14 MET C . 17024 1 70 . 1 1 14 14 MET CA C 13 54.541 0.145 . 1 . . . . 14 MET CA . 17024 1 71 . 1 1 14 14 MET CB C 13 34.819 0.150 . 1 . . . . 14 MET CB . 17024 1 72 . 1 1 14 14 MET N N 15 120.541 0.020 . 1 . . . . 14 MET N . 17024 1 73 . 1 1 15 15 LEU H H 1 8.506 0.004 . 1 . . . . 15 LEU H . 17024 1 74 . 1 1 15 15 LEU HA H 1 4.116 0.005 . 1 . . . . 15 LEU HA . 17024 1 75 . 1 1 15 15 LEU HB2 H 1 1.472 0.011 . 2 . . . . 15 LEU HB2 . 17024 1 76 . 1 1 15 15 LEU HB3 H 1 1.552 0.012 . 2 . . . . 15 LEU HB3 . 17024 1 77 . 1 1 15 15 LEU HD11 H 1 0.082 0.008 . 2 . . . . 15 LEU HD11 . 17024 1 78 . 1 1 15 15 LEU HD12 H 1 0.082 0.008 . 2 . . . . 15 LEU HD12 . 17024 1 79 . 1 1 15 15 LEU HD13 H 1 0.082 0.008 . 2 . . . . 15 LEU HD13 . 17024 1 80 . 1 1 15 15 LEU HD21 H 1 0.719 0.006 . 2 . . . . 15 LEU HD21 . 17024 1 81 . 1 1 15 15 LEU HD22 H 1 0.719 0.006 . 2 . . . . 15 LEU HD22 . 17024 1 82 . 1 1 15 15 LEU HD23 H 1 0.719 0.006 . 2 . . . . 15 LEU HD23 . 17024 1 83 . 1 1 15 15 LEU C C 13 176.454 0.150 . 1 . . . . 15 LEU C . 17024 1 84 . 1 1 15 15 LEU CA C 13 55.028 0.006 . 1 . . . . 15 LEU CA . 17024 1 85 . 1 1 15 15 LEU CB C 13 41.467 0.049 . 1 . . . . 15 LEU CB . 17024 1 86 . 1 1 15 15 LEU CD1 C 13 21.723 0.150 . 2 . . . . 15 LEU CD1 . 17024 1 87 . 1 1 15 15 LEU CD2 C 13 25.234 0.150 . 2 . . . . 15 LEU CD2 . 17024 1 88 . 1 1 15 15 LEU N N 15 124.220 0.025 . 1 . . . . 15 LEU N . 17024 1 89 . 1 1 16 16 CYS H H 1 9.242 0.004 . 1 . . . . 16 CYS H . 17024 1 90 . 1 1 16 16 CYS HA H 1 4.426 0.009 . 1 . . . . 16 CYS HA . 17024 1 91 . 1 1 16 16 CYS HB2 H 1 2.466 0.023 . 2 . . . . 16 CYS HB2 . 17024 1 92 . 1 1 16 16 CYS HB3 H 1 3.349 0.020 . 2 . . . . 16 CYS HB3 . 17024 1 93 . 1 1 16 16 CYS C C 13 178.717 0.150 . 1 . . . . 16 CYS C . 17024 1 94 . 1 1 16 16 CYS CA C 13 61.789 0.013 . 1 . . . . 16 CYS CA . 17024 1 95 . 1 1 16 16 CYS CB C 13 30.268 0.018 . 1 . . . . 16 CYS CB . 17024 1 96 . 1 1 16 16 CYS N N 15 124.652 0.036 . 1 . . . . 16 CYS N . 17024 1 97 . 1 1 17 17 SER H H 1 8.109 0.005 . 1 . . . . 17 SER H . 17024 1 98 . 1 1 17 17 SER HA H 1 4.224 0.002 . 1 . . . . 17 SER HA . 17024 1 99 . 1 1 17 17 SER HB2 H 1 3.900 0.035 . 2 . . . . 17 SER HB2 . 17024 1 100 . 1 1 17 17 SER HB3 H 1 4.124 0.002 . 2 . . . . 17 SER HB3 . 17024 1 101 . 1 1 17 17 SER C C 13 175.634 0.150 . 1 . . . . 17 SER C . 17024 1 102 . 1 1 17 17 SER CA C 13 60.733 0.014 . 1 . . . . 17 SER CA . 17024 1 103 . 1 1 17 17 SER CB C 13 63.386 0.011 . 1 . . . . 17 SER CB . 17024 1 104 . 1 1 17 17 SER N N 15 126.564 0.093 . 1 . . . . 17 SER N . 17024 1 105 . 1 1 18 18 THR H H 1 8.651 0.004 . 1 . . . . 18 THR H . 17024 1 106 . 1 1 18 18 THR HA H 1 4.435 0.009 . 1 . . . . 18 THR HA . 17024 1 107 . 1 1 18 18 THR HB H 1 4.599 0.003 . 1 . . . . 18 THR HB . 17024 1 108 . 1 1 18 18 THR HG21 H 1 1.452 0.010 . 1 . . . . 18 THR HG21 . 17024 1 109 . 1 1 18 18 THR HG22 H 1 1.452 0.010 . 1 . . . . 18 THR HG22 . 17024 1 110 . 1 1 18 18 THR HG23 H 1 1.452 0.010 . 1 . . . . 18 THR HG23 . 17024 1 111 . 1 1 18 18 THR C C 13 176.764 0.150 . 1 . . . . 18 THR C . 17024 1 112 . 1 1 18 18 THR CA C 13 63.254 0.150 . 1 . . . . 18 THR CA . 17024 1 113 . 1 1 18 18 THR CB C 13 69.428 0.150 . 1 . . . . 18 THR CB . 17024 1 114 . 1 1 18 18 THR CG2 C 13 22.156 0.150 . 1 . . . . 18 THR CG2 . 17024 1 115 . 1 1 18 18 THR N N 15 115.452 0.041 . 1 . . . . 18 THR N . 17024 1 116 . 1 1 19 19 GLY H H 1 8.000 0.005 . 1 . . . . 19 GLY H . 17024 1 117 . 1 1 19 19 GLY HA2 H 1 3.864 0.038 . 2 . . . . 19 GLY HA2 . 17024 1 118 . 1 1 19 19 GLY HA3 H 1 4.241 0.002 . 2 . . . . 19 GLY HA3 . 17024 1 119 . 1 1 19 19 GLY C C 13 175.619 0.150 . 1 . . . . 19 GLY C . 17024 1 120 . 1 1 19 19 GLY CA C 13 45.855 0.150 . 1 . . . . 19 GLY CA . 17024 1 121 . 1 1 19 19 GLY N N 15 107.412 0.043 . 1 . . . . 19 GLY N . 17024 1 122 . 1 1 20 20 CYS H H 1 7.296 0.002 . 1 . . . . 20 CYS H . 17024 1 123 . 1 1 20 20 CYS HA H 1 4.345 0.004 . 1 . . . . 20 CYS HA . 17024 1 124 . 1 1 20 20 CYS HB2 H 1 2.718 0.003 . 2 . . . . 20 CYS HB2 . 17024 1 125 . 1 1 20 20 CYS HB3 H 1 3.307 0.003 . 2 . . . . 20 CYS HB3 . 17024 1 126 . 1 1 20 20 CYS C C 13 176.110 0.150 . 1 . . . . 20 CYS C . 17024 1 127 . 1 1 20 20 CYS CA C 13 60.045 0.077 . 1 . . . . 20 CYS CA . 17024 1 128 . 1 1 20 20 CYS CB C 13 30.065 0.150 . 1 . . . . 20 CYS CB . 17024 1 129 . 1 1 20 20 CYS N N 15 119.274 0.060 . 1 . . . . 20 CYS N . 17024 1 130 . 1 1 21 21 GLY H H 1 8.945 0.004 . 1 . . . . 21 GLY H . 17024 1 131 . 1 1 21 21 GLY HA2 H 1 3.388 0.005 . 2 . . . . 21 GLY HA2 . 17024 1 132 . 1 1 21 21 GLY HA3 H 1 4.223 0.002 . 2 . . . . 21 GLY HA3 . 17024 1 133 . 1 1 21 21 GLY C C 13 174.121 0.150 . 1 . . . . 21 GLY C . 17024 1 134 . 1 1 21 21 GLY CA C 13 45.357 0.150 . 1 . . . . 21 GLY CA . 17024 1 135 . 1 1 21 21 GLY N N 15 111.795 0.023 . 1 . . . . 21 GLY N . 17024 1 136 . 1 1 22 22 PHE H H 1 8.819 0.004 . 1 . . . . 22 PHE H . 17024 1 137 . 1 1 22 22 PHE HA H 1 4.457 0.001 . 1 . . . . 22 PHE HA . 17024 1 138 . 1 1 22 22 PHE HB2 H 1 3.098 0.009 . 2 . . . . 22 PHE HB2 . 17024 1 139 . 1 1 22 22 PHE HB3 H 1 3.278 0.008 . 2 . . . . 22 PHE HB3 . 17024 1 140 . 1 1 22 22 PHE HD1 H 1 7.290 0.006 . 3 . . . . 22 PHE HD1 . 17024 1 141 . 1 1 22 22 PHE HD2 H 1 7.290 0.006 . 3 . . . . 22 PHE HD2 . 17024 1 142 . 1 1 22 22 PHE C C 13 174.263 0.150 . 1 . . . . 22 PHE C . 17024 1 143 . 1 1 22 22 PHE CA C 13 58.535 0.150 . 1 . . . . 22 PHE CA . 17024 1 144 . 1 1 22 22 PHE CB C 13 38.458 0.150 . 1 . . . . 22 PHE CB . 17024 1 145 . 1 1 22 22 PHE N N 15 122.190 0.041 . 1 . . . . 22 PHE N . 17024 1 146 . 1 1 23 23 TYR H H 1 8.855 0.004 . 1 . . . . 23 TYR H . 17024 1 147 . 1 1 23 23 TYR HA H 1 4.409 0.004 . 1 . . . . 23 TYR HA . 17024 1 148 . 1 1 23 23 TYR HB2 H 1 3.036 0.002 . 2 . . . . 23 TYR HB2 . 17024 1 149 . 1 1 23 23 TYR HB3 H 1 3.174 0.005 . 2 . . . . 23 TYR HB3 . 17024 1 150 . 1 1 23 23 TYR HD1 H 1 7.090 0.003 . 3 . . . . 23 TYR HD1 . 17024 1 151 . 1 1 23 23 TYR HD2 H 1 7.090 0.003 . 3 . . . . 23 TYR HD2 . 17024 1 152 . 1 1 23 23 TYR HE1 H 1 6.781 0.020 . 3 . . . . 23 TYR HE1 . 17024 1 153 . 1 1 23 23 TYR HE2 H 1 6.781 0.020 . 3 . . . . 23 TYR HE2 . 17024 1 154 . 1 1 23 23 TYR C C 13 176.659 0.150 . 1 . . . . 23 TYR C . 17024 1 155 . 1 1 23 23 TYR CA C 13 60.887 0.037 . 1 . . . . 23 TYR CA . 17024 1 156 . 1 1 23 23 TYR CB C 13 38.261 0.150 . 1 . . . . 23 TYR CB . 17024 1 157 . 1 1 23 23 TYR N N 15 118.344 0.070 . 1 . . . . 23 TYR N . 17024 1 158 . 1 1 24 24 GLY H H 1 8.751 0.005 . 1 . . . . 24 GLY H . 17024 1 159 . 1 1 24 24 GLY HA2 H 1 2.964 0.004 . 2 . . . . 24 GLY HA2 . 17024 1 160 . 1 1 24 24 GLY HA3 H 1 3.838 0.016 . 2 . . . . 24 GLY HA3 . 17024 1 161 . 1 1 24 24 GLY C C 13 171.553 0.150 . 1 . . . . 24 GLY C . 17024 1 162 . 1 1 24 24 GLY CA C 13 43.111 0.022 . 1 . . . . 24 GLY CA . 17024 1 163 . 1 1 24 24 GLY N N 15 107.548 0.078 . 1 . . . . 24 GLY N . 17024 1 164 . 1 1 25 25 ASN H H 1 6.624 0.005 . 1 . . . . 25 ASN H . 17024 1 165 . 1 1 25 25 ASN HA H 1 5.125 0.006 . 1 . . . . 25 ASN HA . 17024 1 166 . 1 1 25 25 ASN HB2 H 1 2.474 0.005 . 2 . . . . 25 ASN HB2 . 17024 1 167 . 1 1 25 25 ASN HB3 H 1 3.286 0.012 . 2 . . . . 25 ASN HB3 . 17024 1 168 . 1 1 25 25 ASN HD21 H 1 6.995 0.004 . 1 . . . . 25 ASN HD21 . 17024 1 169 . 1 1 25 25 ASN HD22 H 1 7.559 0.002 . 1 . . . . 25 ASN HD22 . 17024 1 170 . 1 1 25 25 ASN CA C 13 50.284 0.150 . 1 . . . . 25 ASN CA . 17024 1 171 . 1 1 25 25 ASN CG C 13 177.137 0.008 . 1 . . . . 25 ASN CG . 17024 1 172 . 1 1 25 25 ASN N N 15 116.203 0.045 . 1 . . . . 25 ASN N . 17024 1 173 . 1 1 25 25 ASN ND2 N 15 113.094 0.144 . 1 . . . . 25 ASN ND2 . 17024 1 174 . 1 1 26 26 PRO HA H 1 4.270 0.005 . 1 . . . . 26 PRO HA . 17024 1 175 . 1 1 26 26 PRO HB2 H 1 2.011 0.150 . 1 . . . . 26 PRO HB2 . 17024 1 176 . 1 1 26 26 PRO HG2 H 1 2.019 0.150 . 1 . . . . 26 PRO HG2 . 17024 1 177 . 1 1 26 26 PRO C C 13 178.105 0.150 . 1 . . . . 26 PRO C . 17024 1 178 . 1 1 26 26 PRO CA C 13 65.245 0.150 . 1 . . . . 26 PRO CA . 17024 1 179 . 1 1 26 26 PRO CB C 13 31.938 0.150 . 1 . . . . 26 PRO CB . 17024 1 180 . 1 1 27 27 ARG H H 1 8.654 0.003 . 1 . . . . 27 ARG H . 17024 1 181 . 1 1 27 27 ARG HA H 1 4.254 0.013 . 1 . . . . 27 ARG HA . 17024 1 182 . 1 1 27 27 ARG HB2 H 1 1.685 0.003 . 2 . . . . 27 ARG HB2 . 17024 1 183 . 1 1 27 27 ARG HB3 H 1 1.871 0.001 . 2 . . . . 27 ARG HB3 . 17024 1 184 . 1 1 27 27 ARG C C 13 177.057 0.150 . 1 . . . . 27 ARG C . 17024 1 185 . 1 1 27 27 ARG CA C 13 57.631 0.150 . 1 . . . . 27 ARG CA . 17024 1 186 . 1 1 27 27 ARG CB C 13 30.057 0.150 . 1 . . . . 27 ARG CB . 17024 1 187 . 1 1 27 27 ARG N N 15 115.589 0.059 . 1 . . . . 27 ARG N . 17024 1 188 . 1 1 28 28 THR H H 1 7.548 0.005 . 1 . . . . 28 THR H . 17024 1 189 . 1 1 28 28 THR HA H 1 3.508 0.002 . 1 . . . . 28 THR HA . 17024 1 190 . 1 1 28 28 THR HB H 1 3.304 0.150 . 1 . . . . 28 THR HB . 17024 1 191 . 1 1 28 28 THR HG21 H 1 0.451 0.013 . 1 . . . . 28 THR HG21 . 17024 1 192 . 1 1 28 28 THR HG22 H 1 0.451 0.013 . 1 . . . . 28 THR HG22 . 17024 1 193 . 1 1 28 28 THR HG23 H 1 0.451 0.013 . 1 . . . . 28 THR HG23 . 17024 1 194 . 1 1 28 28 THR C C 13 175.186 0.150 . 1 . . . . 28 THR C . 17024 1 195 . 1 1 28 28 THR CA C 13 58.324 0.017 . 1 . . . . 28 THR CA . 17024 1 196 . 1 1 28 28 THR CB C 13 66.361 0.100 . 1 . . . . 28 THR CB . 17024 1 197 . 1 1 28 28 THR CG2 C 13 19.964 0.150 . 1 . . . . 28 THR CG2 . 17024 1 198 . 1 1 28 28 THR N N 15 110.786 0.044 . 1 . . . . 28 THR N . 17024 1 199 . 1 1 29 29 ASN H H 1 8.042 0.005 . 1 . . . . 29 ASN H . 17024 1 200 . 1 1 29 29 ASN HA H 1 4.411 0.004 . 1 . . . . 29 ASN HA . 17024 1 201 . 1 1 29 29 ASN HB2 H 1 2.562 0.002 . 2 . . . . 29 ASN HB2 . 17024 1 202 . 1 1 29 29 ASN HB3 H 1 3.201 0.001 . 2 . . . . 29 ASN HB3 . 17024 1 203 . 1 1 29 29 ASN HD21 H 1 6.641 0.006 . 1 . . . . 29 ASN HD21 . 17024 1 204 . 1 1 29 29 ASN HD22 H 1 6.969 0.001 . 1 . . . . 29 ASN HD22 . 17024 1 205 . 1 1 29 29 ASN C C 13 174.495 0.150 . 1 . . . . 29 ASN C . 17024 1 206 . 1 1 29 29 ASN CA C 13 54.383 0.150 . 1 . . . . 29 ASN CA . 17024 1 207 . 1 1 29 29 ASN CB C 13 38.060 0.150 . 1 . . . . 29 ASN CB . 17024 1 208 . 1 1 29 29 ASN CG C 13 177.776 0.015 . 1 . . . . 29 ASN CG . 17024 1 209 . 1 1 29 29 ASN N N 15 117.190 0.045 . 1 . . . . 29 ASN N . 17024 1 210 . 1 1 29 29 ASN ND2 N 15 109.460 0.166 . 1 . . . . 29 ASN ND2 . 17024 1 211 . 1 1 30 30 GLY H H 1 7.959 0.006 . 1 . . . . 30 GLY H . 17024 1 212 . 1 1 30 30 GLY HA2 H 1 3.411 0.010 . 2 . . . . 30 GLY HA2 . 17024 1 213 . 1 1 30 30 GLY HA3 H 1 4.042 0.013 . 2 . . . . 30 GLY HA3 . 17024 1 214 . 1 1 30 30 GLY C C 13 173.868 0.150 . 1 . . . . 30 GLY C . 17024 1 215 . 1 1 30 30 GLY CA C 13 45.827 0.132 . 1 . . . . 30 GLY CA . 17024 1 216 . 1 1 30 30 GLY N N 15 104.551 0.014 . 1 . . . . 30 GLY N . 17024 1 217 . 1 1 31 31 MET H H 1 7.892 0.004 . 1 . . . . 31 MET H . 17024 1 218 . 1 1 31 31 MET HA H 1 5.826 0.003 . 1 . . . . 31 MET HA . 17024 1 219 . 1 1 31 31 MET HB2 H 1 2.263 0.013 . 2 . . . . 31 MET HB2 . 17024 1 220 . 1 1 31 31 MET HB3 H 1 2.372 0.010 . 2 . . . . 31 MET HB3 . 17024 1 221 . 1 1 31 31 MET HE1 H 1 1.800 0.011 . 1 . . . . 31 MET HE1 . 17024 1 222 . 1 1 31 31 MET HE2 H 1 1.800 0.011 . 1 . . . . 31 MET HE2 . 17024 1 223 . 1 1 31 31 MET HE3 H 1 1.800 0.011 . 1 . . . . 31 MET HE3 . 17024 1 224 . 1 1 31 31 MET HG2 H 1 2.570 0.005 . 1 . . . . 31 MET HG2 . 17024 1 225 . 1 1 31 31 MET C C 13 177.089 0.150 . 1 . . . . 31 MET C . 17024 1 226 . 1 1 31 31 MET CA C 13 54.371 0.129 . 1 . . . . 31 MET CA . 17024 1 227 . 1 1 31 31 MET CB C 13 36.700 0.150 . 1 . . . . 31 MET CB . 17024 1 228 . 1 1 31 31 MET N N 15 119.496 0.074 . 1 . . . . 31 MET N . 17024 1 229 . 1 1 32 32 CYS H H 1 10.052 0.007 . 1 . . . . 32 CYS H . 17024 1 230 . 1 1 32 32 CYS HA H 1 5.021 0.005 . 1 . . . . 32 CYS HA . 17024 1 231 . 1 1 32 32 CYS HB2 H 1 2.567 0.007 . 2 . . . . 32 CYS HB2 . 17024 1 232 . 1 1 32 32 CYS HB3 H 1 3.181 0.006 . 2 . . . . 32 CYS HB3 . 17024 1 233 . 1 1 32 32 CYS C C 13 175.667 0.150 . 1 . . . . 32 CYS C . 17024 1 234 . 1 1 32 32 CYS CA C 13 58.341 0.041 . 1 . . . . 32 CYS CA . 17024 1 235 . 1 1 32 32 CYS CB C 13 30.571 0.184 . 1 . . . . 32 CYS CB . 17024 1 236 . 1 1 32 32 CYS N N 15 123.391 0.052 . 1 . . . . 32 CYS N . 17024 1 237 . 1 1 33 33 SER H H 1 10.180 0.004 . 1 . . . . 33 SER H . 17024 1 238 . 1 1 33 33 SER HA H 1 4.001 0.002 . 1 . . . . 33 SER HA . 17024 1 239 . 1 1 33 33 SER HB2 H 1 3.811 0.011 . 1 . . . . 33 SER HB2 . 17024 1 240 . 1 1 33 33 SER C C 13 177.157 0.150 . 1 . . . . 33 SER C . 17024 1 241 . 1 1 33 33 SER CA C 13 61.992 0.150 . 1 . . . . 33 SER CA . 17024 1 242 . 1 1 33 33 SER CB C 13 62.346 0.150 . 1 . . . . 33 SER CB . 17024 1 243 . 1 1 33 33 SER N N 15 116.920 0.124 . 1 . . . . 33 SER N . 17024 1 244 . 1 1 34 34 VAL H H 1 7.314 0.003 . 1 . . . . 34 VAL H . 17024 1 245 . 1 1 34 34 VAL HA H 1 3.809 0.002 . 1 . . . . 34 VAL HA . 17024 1 246 . 1 1 34 34 VAL HB H 1 1.957 0.002 . 1 . . . . 34 VAL HB . 17024 1 247 . 1 1 34 34 VAL HG11 H 1 0.893 0.005 . 2 . . . . 34 VAL HG11 . 17024 1 248 . 1 1 34 34 VAL HG12 H 1 0.893 0.005 . 2 . . . . 34 VAL HG12 . 17024 1 249 . 1 1 34 34 VAL HG13 H 1 0.893 0.005 . 2 . . . . 34 VAL HG13 . 17024 1 250 . 1 1 34 34 VAL HG21 H 1 0.945 0.026 . 2 . . . . 34 VAL HG21 . 17024 1 251 . 1 1 34 34 VAL HG22 H 1 0.945 0.026 . 2 . . . . 34 VAL HG22 . 17024 1 252 . 1 1 34 34 VAL HG23 H 1 0.945 0.026 . 2 . . . . 34 VAL HG23 . 17024 1 253 . 1 1 34 34 VAL C C 13 178.571 0.150 . 1 . . . . 34 VAL C . 17024 1 254 . 1 1 34 34 VAL CA C 13 66.167 0.150 . 1 . . . . 34 VAL CA . 17024 1 255 . 1 1 34 34 VAL CB C 13 33.248 0.150 . 1 . . . . 34 VAL CB . 17024 1 256 . 1 1 34 34 VAL CG1 C 13 20.919 0.150 . 2 . . . . 34 VAL CG1 . 17024 1 257 . 1 1 34 34 VAL CG2 C 13 22.954 0.150 . 2 . . . . 34 VAL CG2 . 17024 1 258 . 1 1 34 34 VAL N N 15 126.920 0.040 . 1 . . . . 34 VAL N . 17024 1 259 . 1 1 35 35 CYS H H 1 8.859 0.006 . 1 . . . . 35 CYS H . 17024 1 260 . 1 1 35 35 CYS HA H 1 4.027 0.001 . 1 . . . . 35 CYS HA . 17024 1 261 . 1 1 35 35 CYS HB2 H 1 2.991 0.039 . 2 . . . . 35 CYS HB2 . 17024 1 262 . 1 1 35 35 CYS HB3 H 1 3.036 0.009 . 2 . . . . 35 CYS HB3 . 17024 1 263 . 1 1 35 35 CYS C C 13 178.868 0.150 . 1 . . . . 35 CYS C . 17024 1 264 . 1 1 35 35 CYS CA C 13 64.716 0.150 . 1 . . . . 35 CYS CA . 17024 1 265 . 1 1 35 35 CYS CB C 13 28.994 0.150 . 1 . . . . 35 CYS CB . 17024 1 266 . 1 1 35 35 CYS N N 15 125.297 0.053 . 1 . . . . 35 CYS N . 17024 1 267 . 1 1 36 36 TYR H H 1 9.048 0.005 . 1 . . . . 36 TYR H . 17024 1 268 . 1 1 36 36 TYR HA H 1 4.571 0.008 . 1 . . . . 36 TYR HA . 17024 1 269 . 1 1 36 36 TYR HB2 H 1 2.977 0.009 . 2 . . . . 36 TYR HB2 . 17024 1 270 . 1 1 36 36 TYR HB3 H 1 3.300 0.003 . 2 . . . . 36 TYR HB3 . 17024 1 271 . 1 1 36 36 TYR HD1 H 1 7.104 0.010 . 3 . . . . 36 TYR HD1 . 17024 1 272 . 1 1 36 36 TYR HD2 H 1 7.104 0.010 . 3 . . . . 36 TYR HD2 . 17024 1 273 . 1 1 36 36 TYR HE1 H 1 6.785 0.020 . 3 . . . . 36 TYR HE1 . 17024 1 274 . 1 1 36 36 TYR HE2 H 1 6.785 0.020 . 3 . . . . 36 TYR HE2 . 17024 1 275 . 1 1 36 36 TYR C C 13 176.818 0.150 . 1 . . . . 36 TYR C . 17024 1 276 . 1 1 36 36 TYR CA C 13 61.550 0.150 . 1 . . . . 36 TYR CA . 17024 1 277 . 1 1 36 36 TYR CB C 13 38.422 0.150 . 1 . . . . 36 TYR CB . 17024 1 278 . 1 1 36 36 TYR N N 15 120.613 0.092 . 1 . . . . 36 TYR N . 17024 1 279 . 1 1 37 37 LYS H H 1 7.502 0.003 . 1 . . . . 37 LYS H . 17024 1 280 . 1 1 37 37 LYS HA H 1 3.792 0.008 . 1 . . . . 37 LYS HA . 17024 1 281 . 1 1 37 37 LYS HB2 H 1 2.034 0.010 . 1 . . . . 37 LYS HB2 . 17024 1 282 . 1 1 37 37 LYS HD2 H 1 1.753 0.002 . 1 . . . . 37 LYS HD2 . 17024 1 283 . 1 1 37 37 LYS HG2 H 1 1.473 0.007 . 1 . . . . 37 LYS HG2 . 17024 1 284 . 1 1 37 37 LYS C C 13 179.499 0.150 . 1 . . . . 37 LYS C . 17024 1 285 . 1 1 37 37 LYS CA C 13 60.218 0.150 . 1 . . . . 37 LYS CA . 17024 1 286 . 1 1 37 37 LYS CB C 13 31.924 0.150 . 1 . . . . 37 LYS CB . 17024 1 287 . 1 1 37 37 LYS N N 15 118.649 0.015 . 1 . . . . 37 LYS N . 17024 1 288 . 1 1 38 38 GLU H H 1 7.894 0.004 . 1 . . . . 38 GLU H . 17024 1 289 . 1 1 38 38 GLU HA H 1 4.029 0.001 . 1 . . . . 38 GLU HA . 17024 1 290 . 1 1 38 38 GLU HB2 H 1 2.117 0.008 . 2 . . . . 38 GLU HB2 . 17024 1 291 . 1 1 38 38 GLU HB3 H 1 2.192 0.020 . 2 . . . . 38 GLU HB3 . 17024 1 292 . 1 1 38 38 GLU HG2 H 1 2.446 0.011 . 1 . . . . 38 GLU HG2 . 17024 1 293 . 1 1 38 38 GLU C C 13 178.613 0.150 . 1 . . . . 38 GLU C . 17024 1 294 . 1 1 38 38 GLU CA C 13 59.724 0.150 . 1 . . . . 38 GLU CA . 17024 1 295 . 1 1 38 38 GLU CB C 13 29.246 0.150 . 1 . . . . 38 GLU CB . 17024 1 296 . 1 1 38 38 GLU N N 15 119.218 0.113 . 1 . . . . 38 GLU N . 17024 1 297 . 1 1 39 39 HIS H H 1 8.303 0.006 . 1 . . . . 39 HIS H . 17024 1 298 . 1 1 39 39 HIS HA H 1 4.240 0.005 . 1 . . . . 39 HIS HA . 17024 1 299 . 1 1 39 39 HIS HB2 H 1 3.068 0.001 . 2 . . . . 39 HIS HB2 . 17024 1 300 . 1 1 39 39 HIS HB3 H 1 3.476 0.002 . 2 . . . . 39 HIS HB3 . 17024 1 301 . 1 1 39 39 HIS HD2 H 1 7.879 0.020 . 1 . . . . 39 HIS HD2 . 17024 1 302 . 1 1 39 39 HIS HE1 H 1 6.715 0.001 . 1 . . . . 39 HIS HE1 . 17024 1 303 . 1 1 39 39 HIS C C 13 177.788 0.150 . 1 . . . . 39 HIS C . 17024 1 304 . 1 1 39 39 HIS CA C 13 59.907 0.150 . 1 . . . . 39 HIS CA . 17024 1 305 . 1 1 39 39 HIS CB C 13 30.227 0.150 . 1 . . . . 39 HIS CB . 17024 1 306 . 1 1 39 39 HIS N N 15 121.382 0.078 . 1 . . . . 39 HIS N . 17024 1 307 . 1 1 40 40 LEU H H 1 8.224 0.004 . 1 . . . . 40 LEU H . 17024 1 308 . 1 1 40 40 LEU HA H 1 3.707 0.002 . 1 . . . . 40 LEU HA . 17024 1 309 . 1 1 40 40 LEU HB2 H 1 1.279 0.001 . 2 . . . . 40 LEU HB2 . 17024 1 310 . 1 1 40 40 LEU HB3 H 1 1.601 0.001 . 2 . . . . 40 LEU HB3 . 17024 1 311 . 1 1 40 40 LEU HD11 H 1 0.608 0.010 . 2 . . . . 40 LEU HD11 . 17024 1 312 . 1 1 40 40 LEU HD12 H 1 0.608 0.010 . 2 . . . . 40 LEU HD12 . 17024 1 313 . 1 1 40 40 LEU HD13 H 1 0.608 0.010 . 2 . . . . 40 LEU HD13 . 17024 1 314 . 1 1 40 40 LEU HD21 H 1 0.650 0.008 . 2 . . . . 40 LEU HD21 . 17024 1 315 . 1 1 40 40 LEU HD22 H 1 0.650 0.008 . 2 . . . . 40 LEU HD22 . 17024 1 316 . 1 1 40 40 LEU HD23 H 1 0.650 0.008 . 2 . . . . 40 LEU HD23 . 17024 1 317 . 1 1 40 40 LEU HG H 1 1.200 0.004 . 1 . . . . 40 LEU HG . 17024 1 318 . 1 1 40 40 LEU C C 13 180.070 0.150 . 1 . . . . 40 LEU C . 17024 1 319 . 1 1 40 40 LEU CA C 13 57.903 0.150 . 1 . . . . 40 LEU CA . 17024 1 320 . 1 1 40 40 LEU CB C 13 41.558 0.150 . 1 . . . . 40 LEU CB . 17024 1 321 . 1 1 40 40 LEU CD1 C 13 25.201 0.150 . 2 . . . . 40 LEU CD1 . 17024 1 322 . 1 1 40 40 LEU CD2 C 13 22.291 0.150 . 2 . . . . 40 LEU CD2 . 17024 1 323 . 1 1 40 40 LEU N N 15 119.312 0.013 . 1 . . . . 40 LEU N . 17024 1 324 . 1 1 41 41 GLN H H 1 7.786 0.004 . 1 . . . . 41 GLN H . 17024 1 325 . 1 1 41 41 GLN HA H 1 4.020 0.003 . 1 . . . . 41 GLN HA . 17024 1 326 . 1 1 41 41 GLN HB2 H 1 2.162 0.006 . 1 . . . . 41 GLN HB2 . 17024 1 327 . 1 1 41 41 GLN HE21 H 1 6.855 0.001 . 1 . . . . 41 GLN HE21 . 17024 1 328 . 1 1 41 41 GLN HE22 H 1 7.401 0.001 . 1 . . . . 41 GLN HE22 . 17024 1 329 . 1 1 41 41 GLN HG2 H 1 2.389 0.150 . 2 . . . . 41 GLN HG2 . 17024 1 330 . 1 1 41 41 GLN HG3 H 1 2.477 0.150 . 2 . . . . 41 GLN HG3 . 17024 1 331 . 1 1 41 41 GLN C C 13 178.132 0.150 . 1 . . . . 41 GLN C . 17024 1 332 . 1 1 41 41 GLN CA C 13 58.437 0.150 . 1 . . . . 41 GLN CA . 17024 1 333 . 1 1 41 41 GLN CB C 13 28.287 0.150 . 1 . . . . 41 GLN CB . 17024 1 334 . 1 1 41 41 GLN CD C 13 180.273 0.004 . 1 . . . . 41 GLN CD . 17024 1 335 . 1 1 41 41 GLN N N 15 118.278 0.050 . 1 . . . . 41 GLN N . 17024 1 336 . 1 1 41 41 GLN NE2 N 15 111.537 0.211 . 1 . . . . 41 GLN NE2 . 17024 1 337 . 1 1 42 42 ARG H H 1 7.871 0.007 . 1 . . . . 42 ARG H . 17024 1 338 . 1 1 42 42 ARG HA H 1 4.113 0.017 . 1 . . . . 42 ARG HA . 17024 1 339 . 1 1 42 42 ARG HG2 H 1 1.611 0.003 . 1 . . . . 42 ARG HG2 . 17024 1 340 . 1 1 42 42 ARG C C 13 178.364 0.150 . 1 . . . . 42 ARG C . 17024 1 341 . 1 1 42 42 ARG CA C 13 58.384 0.150 . 1 . . . . 42 ARG CA . 17024 1 342 . 1 1 42 42 ARG CB C 13 30.029 0.150 . 1 . . . . 42 ARG CB . 17024 1 343 . 1 1 42 42 ARG N N 15 118.999 0.072 . 1 . . . . 42 ARG N . 17024 1 344 . 1 1 43 43 GLN H H 1 7.833 0.003 . 1 . . . . 43 GLN H . 17024 1 345 . 1 1 43 43 GLN HA H 1 4.076 0.010 . 1 . . . . 43 GLN HA . 17024 1 346 . 1 1 43 43 GLN HB2 H 1 1.925 0.007 . 2 . . . . 43 GLN HB2 . 17024 1 347 . 1 1 43 43 GLN HB3 H 1 2.048 0.150 . 2 . . . . 43 GLN HB3 . 17024 1 348 . 1 1 43 43 GLN HE21 H 1 6.774 0.003 . 1 . . . . 43 GLN HE21 . 17024 1 349 . 1 1 43 43 GLN HE22 H 1 7.131 0.003 . 1 . . . . 43 GLN HE22 . 17024 1 350 . 1 1 43 43 GLN HG2 H 1 2.171 0.006 . 1 . . . . 43 GLN HG2 . 17024 1 351 . 1 1 43 43 GLN C C 13 177.410 0.150 . 1 . . . . 43 GLN C . 17024 1 352 . 1 1 43 43 GLN CA C 13 57.148 0.150 . 1 . . . . 43 GLN CA . 17024 1 353 . 1 1 43 43 GLN CB C 13 28.613 0.060 . 1 . . . . 43 GLN CB . 17024 1 354 . 1 1 43 43 GLN CD C 13 180.059 0.008 . 1 . . . . 43 GLN CD . 17024 1 355 . 1 1 43 43 GLN CG C 13 33.556 0.017 . 1 . . . . 43 GLN CG . 17024 1 356 . 1 1 43 43 GLN N N 15 118.101 0.030 . 1 . . . . 43 GLN N . 17024 1 357 . 1 1 43 43 GLN NE2 N 15 111.616 0.205 . 1 . . . . 43 GLN NE2 . 17024 1 358 . 1 1 44 44 GLN H H 1 7.963 0.003 . 1 . . . . 44 GLN H . 17024 1 359 . 1 1 44 44 GLN HA H 1 4.196 0.150 . 1 . . . . 44 GLN HA . 17024 1 360 . 1 1 44 44 GLN HB2 H 1 2.081 0.150 . 1 . . . . 44 GLN HB2 . 17024 1 361 . 1 1 44 44 GLN HE21 H 1 6.814 0.001 . 1 . . . . 44 GLN HE21 . 17024 1 362 . 1 1 44 44 GLN HE22 H 1 7.433 0.020 . 1 . . . . 44 GLN HE22 . 17024 1 363 . 1 1 44 44 GLN HG2 H 1 2.408 0.020 . 1 . . . . 44 GLN HG2 . 17024 1 364 . 1 1 44 44 GLN C C 13 176.660 0.150 . 1 . . . . 44 GLN C . 17024 1 365 . 1 1 44 44 GLN CA C 13 56.978 0.150 . 1 . . . . 44 GLN CA . 17024 1 366 . 1 1 44 44 GLN CB C 13 28.716 0.054 . 1 . . . . 44 GLN CB . 17024 1 367 . 1 1 44 44 GLN CD C 13 180.283 0.150 . 1 . . . . 44 GLN CD . 17024 1 368 . 1 1 44 44 GLN CG C 13 33.698 0.150 . 1 . . . . 44 GLN CG . 17024 1 369 . 1 1 44 44 GLN N N 15 118.958 0.017 . 1 . . . . 44 GLN N . 17024 1 370 . 1 1 44 44 GLN NE2 N 15 111.434 0.157 . 1 . . . . 44 GLN NE2 . 17024 1 371 . 1 1 45 45 ASN H H 1 8.174 0.003 . 1 . . . . 45 ASN H . 17024 1 372 . 1 1 45 45 ASN HD21 H 1 6.911 0.002 . 1 . . . . 45 ASN HD21 . 17024 1 373 . 1 1 45 45 ASN HD22 H 1 7.601 0.002 . 1 . . . . 45 ASN HD22 . 17024 1 374 . 1 1 45 45 ASN C C 13 175.681 0.150 . 1 . . . . 45 ASN C . 17024 1 375 . 1 1 45 45 ASN CA C 13 53.978 0.055 . 1 . . . . 45 ASN CA . 17024 1 376 . 1 1 45 45 ASN CB C 13 38.965 0.064 . 1 . . . . 45 ASN CB . 17024 1 377 . 1 1 45 45 ASN CG C 13 177.143 0.015 . 1 . . . . 45 ASN CG . 17024 1 378 . 1 1 45 45 ASN N N 15 118.292 0.044 . 1 . . . . 45 ASN N . 17024 1 379 . 1 1 45 45 ASN ND2 N 15 112.443 0.179 . 1 . . . . 45 ASN ND2 . 17024 1 380 . 1 1 46 46 SER H H 1 8.124 0.004 . 1 . . . . 46 SER H . 17024 1 381 . 1 1 46 46 SER C C 13 175.186 0.150 . 1 . . . . 46 SER C . 17024 1 382 . 1 1 46 46 SER CA C 13 59.368 0.150 . 1 . . . . 46 SER CA . 17024 1 383 . 1 1 46 46 SER CB C 13 63.993 0.150 . 1 . . . . 46 SER CB . 17024 1 384 . 1 1 46 46 SER N N 15 115.498 0.052 . 1 . . . . 46 SER N . 17024 1 385 . 1 1 47 47 GLY H H 1 8.343 0.002 . 1 . . . . 47 GLY H . 17024 1 386 . 1 1 47 47 GLY HA2 H 1 3.967 0.007 . 1 . . . . 47 GLY HA2 . 17024 1 387 . 1 1 47 47 GLY C C 13 174.061 0.150 . 1 . . . . 47 GLY C . 17024 1 388 . 1 1 47 47 GLY CA C 13 45.435 0.150 . 1 . . . . 47 GLY CA . 17024 1 389 . 1 1 47 47 GLY N N 15 110.309 0.041 . 1 . . . . 47 GLY N . 17024 1 390 . 1 1 48 48 ARG H H 1 7.989 0.002 . 1 . . . . 48 ARG H . 17024 1 391 . 1 1 48 48 ARG HA H 1 4.369 0.150 . 1 . . . . 48 ARG HA . 17024 1 392 . 1 1 48 48 ARG C C 13 176.231 0.150 . 1 . . . . 48 ARG C . 17024 1 393 . 1 1 48 48 ARG CA C 13 56.332 0.150 . 1 . . . . 48 ARG CA . 17024 1 394 . 1 1 48 48 ARG CB C 13 30.636 0.150 . 1 . . . . 48 ARG CB . 17024 1 395 . 1 1 48 48 ARG N N 15 120.099 0.011 . 1 . . . . 48 ARG N . 17024 1 396 . 1 1 49 49 MET H H 1 8.354 0.002 . 1 . . . . 49 MET H . 17024 1 397 . 1 1 49 49 MET C C 13 175.957 0.150 . 1 . . . . 49 MET C . 17024 1 398 . 1 1 49 49 MET CA C 13 55.850 0.150 . 1 . . . . 49 MET CA . 17024 1 399 . 1 1 49 49 MET CB C 13 32.700 0.150 . 1 . . . . 49 MET CB . 17024 1 400 . 1 1 49 49 MET N N 15 121.138 0.001 . 1 . . . . 49 MET N . 17024 1 401 . 1 1 50 50 SER H H 1 8.326 0.003 . 1 . . . . 50 SER H . 17024 1 402 . 1 1 50 50 SER N N 15 118.412 0.056 . 1 . . . . 50 SER N . 17024 1 403 . 1 1 51 51 PRO C C 13 177.020 0.150 . 1 . . . . 51 PRO C . 17024 1 404 . 1 1 51 51 PRO CA C 13 63.681 0.150 . 1 . . . . 51 PRO CA . 17024 1 405 . 1 1 51 51 PRO CB C 13 31.893 0.150 . 1 . . . . 51 PRO CB . 17024 1 406 . 1 1 52 52 MET H H 1 8.413 0.003 . 1 . . . . 52 MET H . 17024 1 407 . 1 1 52 52 MET C C 13 176.783 0.150 . 1 . . . . 52 MET C . 17024 1 408 . 1 1 52 52 MET CA C 13 56.030 0.150 . 1 . . . . 52 MET CA . 17024 1 409 . 1 1 52 52 MET CB C 13 32.745 0.150 . 1 . . . . 52 MET CB . 17024 1 410 . 1 1 52 52 MET N N 15 120.003 0.016 . 1 . . . . 52 MET N . 17024 1 411 . 1 1 53 53 GLY H H 1 8.383 0.001 . 1 . . . . 53 GLY H . 17024 1 412 . 1 1 53 53 GLY C C 13 174.304 0.150 . 1 . . . . 53 GLY C . 17024 1 413 . 1 1 53 53 GLY CA C 13 45.350 0.150 . 1 . . . . 53 GLY CA . 17024 1 414 . 1 1 53 53 GLY N N 15 110.082 0.036 . 1 . . . . 53 GLY N . 17024 1 415 . 1 1 54 54 THR H H 1 8.063 0.002 . 1 . . . . 54 THR H . 17024 1 416 . 1 1 54 54 THR C C 13 174.565 0.150 . 1 . . . . 54 THR C . 17024 1 417 . 1 1 54 54 THR CA C 13 62.014 0.150 . 1 . . . . 54 THR CA . 17024 1 418 . 1 1 54 54 THR CB C 13 70.111 0.150 . 1 . . . . 54 THR CB . 17024 1 419 . 1 1 54 54 THR N N 15 113.578 0.004 . 1 . . . . 54 THR N . 17024 1 420 . 1 1 55 55 ALA H H 1 8.427 0.003 . 1 . . . . 55 ALA H . 17024 1 421 . 1 1 55 55 ALA C C 13 177.828 0.150 . 1 . . . . 55 ALA C . 17024 1 422 . 1 1 55 55 ALA CA C 13 52.701 0.150 . 1 . . . . 55 ALA CA . 17024 1 423 . 1 1 55 55 ALA CB C 13 18.918 0.150 . 1 . . . . 55 ALA CB . 17024 1 424 . 1 1 55 55 ALA N N 15 126.660 0.034 . 1 . . . . 55 ALA N . 17024 1 425 . 1 1 56 56 SER H H 1 8.332 0.003 . 1 . . . . 56 SER H . 17024 1 426 . 1 1 56 56 SER C C 13 175.167 0.150 . 1 . . . . 56 SER C . 17024 1 427 . 1 1 56 56 SER CA C 13 58.657 0.150 . 1 . . . . 56 SER CA . 17024 1 428 . 1 1 56 56 SER CB C 13 63.871 0.150 . 1 . . . . 56 SER CB . 17024 1 429 . 1 1 56 56 SER N N 15 115.364 0.088 . 1 . . . . 56 SER N . 17024 1 430 . 1 1 57 57 GLY H H 1 8.410 0.002 . 1 . . . . 57 GLY H . 17024 1 431 . 1 1 57 57 GLY C C 13 174.179 0.150 . 1 . . . . 57 GLY C . 17024 1 432 . 1 1 57 57 GLY CA C 13 45.391 0.150 . 1 . . . . 57 GLY CA . 17024 1 433 . 1 1 57 57 GLY N N 15 110.964 0.043 . 1 . . . . 57 GLY N . 17024 1 434 . 1 1 58 58 SER H H 1 8.230 0.002 . 1 . . . . 58 SER H . 17024 1 435 . 1 1 58 58 SER CA C 13 58.385 0.150 . 1 . . . . 58 SER CA . 17024 1 436 . 1 1 58 58 SER CB C 13 63.893 0.150 . 1 . . . . 58 SER CB . 17024 1 437 . 1 1 58 58 SER N N 15 115.403 0.066 . 1 . . . . 58 SER N . 17024 1 438 . 1 1 59 59 ASN H H 1 8.509 0.001 . 1 . . . . 59 ASN H . 17024 1 439 . 1 1 59 59 ASN HD21 H 1 6.910 0.020 . 1 . . . . 59 ASN HD21 . 17024 1 440 . 1 1 59 59 ASN HD22 H 1 7.581 0.020 . 1 . . . . 59 ASN HD22 . 17024 1 441 . 1 1 59 59 ASN C C 13 174.822 0.150 . 1 . . . . 59 ASN C . 17024 1 442 . 1 1 59 59 ASN CA C 13 53.357 0.150 . 1 . . . . 59 ASN CA . 17024 1 443 . 1 1 59 59 ASN CB C 13 38.982 0.150 . 1 . . . . 59 ASN CB . 17024 1 444 . 1 1 59 59 ASN CG C 13 177.183 0.006 . 1 . . . . 59 ASN CG . 17024 1 445 . 1 1 59 59 ASN N N 15 120.702 0.007 . 1 . . . . 59 ASN N . 17024 1 446 . 1 1 59 59 ASN ND2 N 15 112.789 0.088 . 1 . . . . 59 ASN ND2 . 17024 1 447 . 1 1 60 60 SER H H 1 8.226 0.004 . 1 . . . . 60 SER H . 17024 1 448 . 1 1 60 60 SER N N 15 117.283 0.006 . 1 . . . . 60 SER N . 17024 1 449 . 1 1 61 61 PRO C C 13 176.380 0.150 . 1 . . . . 61 PRO C . 17024 1 450 . 1 1 61 61 PRO CA C 13 63.738 0.150 . 1 . . . . 61 PRO CA . 17024 1 451 . 1 1 61 61 PRO CB C 13 31.855 0.150 . 1 . . . . 61 PRO CB . 17024 1 452 . 1 1 62 62 THR H H 1 7.785 0.002 . 1 . . . . 62 THR H . 17024 1 453 . 1 1 62 62 THR N N 15 119.173 0.031 . 1 . . . . 62 THR N . 17024 1 stop_ save_