################################### # 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 27473 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.02 _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 'approximately 1 standard deviation from multiple measurements in different spectra' _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-15N HSQC' . . . 27473 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 1 $SPARKY . . 27473 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.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 LYS H H 1 8.238 0.007 . 1 . . . . . 2 LYS H . 27473 1 2 . 1 1 2 2 LYS HA H 1 4.03 0.01 . 1 . . . . . 2 LYS HA . 27473 1 3 . 1 1 2 2 LYS C C 13 177.97 0.05 . 1 . . . . . 2 LYS C . 27473 1 4 . 1 1 2 2 LYS CA C 13 56.19 0.02 . 1 . . . . . 2 LYS CA . 27473 1 5 . 1 1 2 2 LYS CB C 13 32.74 0.08 . 1 . . . . . 2 LYS CB . 27473 1 6 . 1 1 2 2 LYS N N 15 119.30 0.05 . 1 . . . . . 2 LYS N . 27473 1 7 . 1 1 3 3 GLY H H 1 9.114 0.007 . 1 . . . . . 3 GLY H . 27473 1 8 . 1 1 3 3 GLY HA2 H 1 3.23 0.01 . 2 . . . . . 3 GLY HA2 . 27473 1 9 . 1 1 3 3 GLY HA3 H 1 3.83 0.01 . 2 . . . . . 3 GLY HA3 . 27473 1 10 . 1 1 3 3 GLY C C 13 173.64 0.02 . 1 . . . . . 3 GLY C . 27473 1 11 . 1 1 3 3 GLY CA C 13 44.68 0.05 . 1 . . . . . 3 GLY CA . 27473 1 12 . 1 1 3 3 GLY N N 15 110.70 0.05 . 1 . . . . . 3 GLY N . 27473 1 13 . 1 1 4 4 ALA H H 1 8.252 0.007 . 1 . . . . . 4 ALA H . 27473 1 14 . 1 1 4 4 ALA HA H 1 4.276 0.01 . 1 . . . . . 4 ALA HA . 27473 1 15 . 1 1 4 4 ALA C C 13 176.42 0.02 . 1 . . . . . 4 ALA C . 27473 1 16 . 1 1 4 4 ALA CA C 13 52.03 0.05 . 1 . . . . . 4 ALA CA . 27473 1 17 . 1 1 4 4 ALA CB C 13 19.10 0.08 . 1 . . . . . 4 ALA CB . 27473 1 18 . 1 1 4 4 ALA N N 15 126.20 0.05 . 1 . . . . . 4 ALA N . 27473 1 19 . 1 1 5 5 ASP H H 1 8.394 0.007 . 1 . . . . . 5 ASP H . 27473 1 20 . 1 1 5 5 ASP HA H 1 4.74 0.01 . 1 . . . . . 5 ASP HA . 27473 1 21 . 1 1 5 5 ASP C C 13 177.96 0.02 . 1 . . . . . 5 ASP C . 27473 1 22 . 1 1 5 5 ASP CA C 13 53.67 0.05 . 1 . . . . . 5 ASP CA . 27473 1 23 . 1 1 5 5 ASP CB C 13 41.04 0.07 . 1 . . . . . 5 ASP CB . 27473 1 24 . 1 1 5 5 ASP N N 15 119.8 0.05 . 1 . . . . . 5 ASP N . 27473 1 25 . 1 1 6 6 GLY H H 1 9.222 0.007 . 1 . . . . . 6 GLY H . 27473 1 26 . 1 1 6 6 GLY HA2 H 1 3.192 0.01 . 2 . . . . . 6 GLY HA2 . 27473 1 27 . 1 1 6 6 GLY HA3 H 1 3.748 0.01 . 2 . . . . . 6 GLY HA3 . 27473 1 28 . 1 1 6 6 GLY C C 13 173.23 0.02 . 1 . . . . . 6 GLY C . 27473 1 29 . 1 1 6 6 GLY CA C 13 44.59 0.05 . 1 . . . . . 6 GLY CA . 27473 1 30 . 1 1 6 6 GLY N N 15 108.20 0.05 . 1 . . . . . 6 GLY N . 27473 1 31 . 1 1 7 7 ALA H H 1 8.293 0.007 . 1 . . . . . 7 ALA H . 27473 1 32 . 1 1 7 7 ALA HA H 1 4.014 0.01 . 1 . . . . . 7 ALA HA . 27473 1 33 . 1 1 7 7 ALA C C 13 177.62 0.02 . 1 . . . . . 7 ALA C . 27473 1 34 . 1 1 7 7 ALA CA C 13 52.22 0.05 . 1 . . . . . 7 ALA CA . 27473 1 35 . 1 1 7 7 ALA CB C 13 19.10 0.07 . 1 . . . . . 7 ALA CB . 27473 1 36 . 1 1 7 7 ALA N N 15 125.70 0.05 . 1 . . . . . 7 ALA N . 27473 1 37 . 1 1 8 8 HIS H H 1 8.079 0.007 . 1 . . . . . 8 HIS H . 27473 1 38 . 1 1 8 8 HIS HA H 1 5.019 0.01 . 1 . . . . . 8 HIS HA . 27473 1 39 . 1 1 8 8 HIS C C 13 178.10 0.02 . 1 . . . . . 8 HIS C . 27473 1 40 . 1 1 8 8 HIS CA C 13 55.60 0.05 . 1 . . . . . 8 HIS CA . 27473 1 41 . 1 1 8 8 HIS CB C 13 31.47 0.07 . 1 . . . . . 8 HIS CB . 27473 1 42 . 1 1 8 8 HIS N N 15 120.9 0.05 . 1 . . . . . 8 HIS N . 27473 1 43 . 1 1 9 9 GLY H H 1 9.508 0.007 . 1 . . . . . 9 GLY H . 27473 1 44 . 1 1 9 9 GLY HA2 H 1 3.569 0.01 . 2 . . . . . 9 GLY HA2 . 27473 1 45 . 1 1 9 9 GLY HA3 H 1 3.948 0.01 . 2 . . . . . 9 GLY HA3 . 27473 1 46 . 1 1 9 9 GLY C C 13 172.87 0.02 . 1 . . . . . 9 GLY C . 27473 1 47 . 1 1 9 9 GLY CA C 13 44.15 0.05 . 1 . . . . . 9 GLY CA . 27473 1 48 . 1 1 9 9 GLY N N 15 109.10 0.05 . 1 . . . . . 9 GLY N . 27473 1 49 . 1 1 10 10 VAL H H 1 8.705 0.007 . 1 . . . . . 10 VAL H . 27473 1 50 . 1 1 10 10 VAL HA H 1 4.5530 0.01 . 1 . . . . . 10 VAL HA . 27473 1 51 . 1 1 10 10 VAL C C 13 175.84 0.02 . 1 . . . . . 10 VAL C . 27473 1 52 . 1 1 10 10 VAL CA C 13 60.20 0.05 . 1 . . . . . 10 VAL CA . 27473 1 53 . 1 1 10 10 VAL CB C 13 34.83 0.07 . 1 . . . . . 10 VAL CB . 27473 1 54 . 1 1 10 10 VAL N N 15 115.20 0.05 . 1 . . . . . 10 VAL N . 27473 1 55 . 1 1 11 11 ASN H H 1 8.736 0.007 . 1 . . . . . 11 ASN H . 27473 1 56 . 1 1 11 11 ASN HA H 1 5.253 0.01 . 1 . . . . . 11 ASN HA . 27473 1 57 . 1 1 11 11 ASN C C 13 176.01 0.02 . 1 . . . . . 11 ASN C . 27473 1 58 . 1 1 11 11 ASN CA C 13 52.99 0.05 . 1 . . . . . 11 ASN CA . 27473 1 59 . 1 1 11 11 ASN CB C 13 38.10 0.07 . 1 . . . . . 11 ASN CB . 27473 1 60 . 1 1 11 11 ASN N N 15 124.30 0.05 . 1 . . . . . 11 ASN N . 27473 1 61 . 1 1 12 12 GLY H H 1 7.849 0.007 . 1 . . . . . 12 GLY H . 27473 1 62 . 1 1 12 12 GLY HA2 H 1 3.926 0.01 . 2 . . . . . 12 GLY HA2 . 27473 1 63 . 1 1 12 12 GLY HA3 H 1 3.926 0.01 . 2 . . . . . 12 GLY HA3 . 27473 1 64 . 1 1 12 12 GLY C C 13 171.62 0.02 . 1 . . . . . 12 GLY C . 27473 1 65 . 1 1 12 12 GLY CA C 13 45.89 0.05 . 1 . . . . . 12 GLY CA . 27473 1 66 . 1 1 12 12 GLY N N 15 106.80 0.05 . 1 . . . . . 12 GLY N . 27473 1 67 . 1 1 13 13 CYS H H 1 8.972 0.007 . 1 . . . . . 13 CYS H . 27473 1 68 . 1 1 13 13 CYS HA H 1 5.210 0.01 . 1 . . . . . 13 CYS HA . 27473 1 69 . 1 1 13 13 CYS CA C 13 52.97 0.05 . 1 . . . . . 13 CYS CA . 27473 1 70 . 1 1 13 13 CYS N N 15 123.9 0.05 . 1 . . . . . 13 CYS N . 27473 1 71 . 1 1 14 14 PRO HA H 1 4.920 0.01 . 1 . . . . . 14 PRO HA . 27473 1 72 . 1 1 14 14 PRO C C 13 176.85 0.02 . 1 . . . . . 14 PRO C . 27473 1 73 . 1 1 14 14 PRO CA C 13 63.53 0.05 . 1 . . . . . 14 PRO CA . 27473 1 74 . 1 1 14 14 PRO CB C 13 36.69 0.07 . 1 . . . . . 14 PRO CB . 27473 1 75 . 1 1 15 15 GLY H H 1 8.259 0.008 . 1 . . . . . 15 GLY H . 27473 1 76 . 1 1 15 15 GLY HA2 H 1 4.020 0.01 . 2 . . . . . 15 GLY HA2 . 27473 1 77 . 1 1 15 15 GLY HA3 H 1 4.071 0.01 . 2 . . . . . 15 GLY HA3 . 27473 1 78 . 1 1 15 15 GLY C C 13 173.50 0.02 . 1 . . . . . 15 GLY C . 27473 1 79 . 1 1 15 15 GLY CA C 13 45.01 0.05 . 1 . . . . . 15 GLY CA . 27473 1 80 . 1 1 15 15 GLY N N 15 103.20 0.05 . 1 . . . . . 15 GLY N . 27473 1 81 . 1 1 16 16 THR H H 1 8.600 0.008 . 1 . . . . . 16 THR H . 27473 1 82 . 1 1 16 16 THR HA H 1 4.457 0.01 . 1 . . . . . 16 THR HA . 27473 1 83 . 1 1 16 16 THR C C 13 174.91 0.02 . 1 . . . . . 16 THR C . 27473 1 84 . 1 1 16 16 THR CA C 13 60.99 0.05 . 1 . . . . . 16 THR CA . 27473 1 85 . 1 1 16 16 THR CB C 13 70.67 0.07 . 1 . . . . . 16 THR CB . 27473 1 86 . 1 1 16 16 THR N N 15 111.60 0.05 . 1 . . . . . 16 THR N . 27473 1 87 . 1 1 17 17 ALA H H 1 8.547 0.008 . 1 . . . . . 17 ALA H . 27473 1 88 . 1 1 17 17 ALA HA H 1 4.685 0.01 . 1 . . . . . 17 ALA HA . 27473 1 89 . 1 1 17 17 ALA C C 13 180.28 0.02 . 1 . . . . . 17 ALA C . 27473 1 90 . 1 1 17 17 ALA CA C 13 52.26 0.05 . 1 . . . . . 17 ALA CA . 27473 1 91 . 1 1 17 17 ALA CB C 13 20.00 0.07 . 1 . . . . . 17 ALA CB . 27473 1 92 . 1 1 17 17 ALA N N 15 123.30 0.05 . 1 . . . . . 17 ALA N . 27473 1 93 . 1 1 18 18 GLY H H 1 8.925 0.008 . 1 . . . . . 18 GLY H . 27473 1 94 . 1 1 18 18 GLY HA2 H 1 3.210 0.01 . 2 . . . . . 18 GLY HA2 . 27473 1 95 . 1 1 18 18 GLY HA3 H 1 3.892 0.01 . 2 . . . . . 18 GLY HA3 . 27473 1 96 . 1 1 18 18 GLY C C 13 172.31 0.02 . 1 . . . . . 18 GLY C . 27473 1 97 . 1 1 18 18 GLY CA C 13 44.53 0.05 . 1 . . . . . 18 GLY CA . 27473 1 98 . 1 1 18 18 GLY N N 15 108.60 0.05 . 1 . . . . . 18 GLY N . 27473 1 99 . 1 1 19 19 ALA H H 1 8.401 0.008 . 1 . . . . . 19 ALA H . 27473 1 100 . 1 1 19 19 ALA HA H 1 4.409 0.01 . 1 . . . . . 19 ALA HA . 27473 1 101 . 1 1 19 19 ALA C C 13 177.76 0.02 . 1 . . . . . 19 ALA C . 27473 1 102 . 1 1 19 19 ALA CA C 13 50.93 0.05 . 1 . . . . . 19 ALA CA . 27473 1 103 . 1 1 19 19 ALA CB C 13 20.53 0.07 . 1 . . . . . 19 ALA CB . 27473 1 104 . 1 1 19 19 ALA N N 15 124.40 0.05 . 1 . . . . . 19 ALA N . 27473 1 105 . 1 1 20 20 ALA H H 1 8.584 0.008 . 1 . . . . . 20 ALA H . 27473 1 106 . 1 1 20 20 ALA HA H 1 4.759 0.01 . 1 . . . . . 20 ALA HA . 27473 1 107 . 1 1 20 20 ALA C C 13 179.64 0.02 . 1 . . . . . 20 ALA C . 27473 1 108 . 1 1 20 20 ALA CA C 13 51.93 0.05 . 1 . . . . . 20 ALA CA . 27473 1 109 . 1 1 20 20 ALA CB C 13 18.84 0.07 . 1 . . . . . 20 ALA CB . 27473 1 110 . 1 1 20 20 ALA N N 15 124.00 0.05 . 1 . . . . . 20 ALA N . 27473 1 111 . 1 1 21 21 GLY H H 1 9.07 0.008 . 1 . . . . . 21 GLY H . 27473 1 112 . 1 1 21 21 GLY HA2 H 1 3.060 0.01 . 2 . . . . . 21 GLY HA2 . 27473 1 113 . 1 1 21 21 GLY HA3 H 1 3.810 0.01 . 2 . . . . . 21 GLY HA3 . 27473 1 114 . 1 1 21 21 GLY C C 13 173.14 0.02 . 1 . . . . . 21 GLY C . 27473 1 115 . 1 1 21 21 GLY CA C 13 44.34 0.05 . 1 . . . . . 21 GLY CA . 27473 1 116 . 1 1 21 21 GLY N N 15 107.30 0.05 . 1 . . . . . 21 GLY N . 27473 1 117 . 1 1 22 22 SER H H 1 8.409 0.008 . 1 . . . . . 22 SER H . 27473 1 118 . 1 1 22 22 SER HA H 1 4.460 0.01 . 1 . . . . . 22 SER HA . 27473 1 119 . 1 1 22 22 SER C C 13 174.09 0.02 . 1 . . . . . 22 SER C . 27473 1 120 . 1 1 22 22 SER CA C 13 59.15 0.05 . 1 . . . . . 22 SER CA . 27473 1 121 . 1 1 22 22 SER CB C 13 64.31 0.07 . 1 . . . . . 22 SER CB . 27473 1 122 . 1 1 22 22 SER N N 15 116.30 0.05 . 1 . . . . . 22 SER N . 27473 1 123 . 1 1 23 23 VAL H H 1 8.4270 0.008 . 1 . . . . . 23 VAL H . 27473 1 124 . 1 1 23 23 VAL HA H 1 4.486 0.01 . 1 . . . . . 23 VAL HA . 27473 1 125 . 1 1 23 23 VAL C C 13 177.54 0.02 . 1 . . . . . 23 VAL C . 27473 1 126 . 1 1 23 23 VAL CA C 13 61.59 0.05 . 1 . . . . . 23 VAL CA . 27473 1 127 . 1 1 23 23 VAL CB C 13 32.34 0.07 . 1 . . . . . 23 VAL CB . 27473 1 128 . 1 1 23 23 VAL N N 15 124.00 0.05 . 1 . . . . . 23 VAL N . 27473 1 129 . 1 1 24 24 GLY H H 1 8.515 0.008 . 1 . . . . . 24 GLY H . 27473 1 130 . 1 1 24 24 GLY HA2 H 1 3.180 0.01 . 2 . . . . . 24 GLY HA2 . 27473 1 131 . 1 1 24 24 GLY HA3 H 1 3.980 0.01 . 2 . . . . . 24 GLY HA3 . 27473 1 132 . 1 1 24 24 GLY C C 13 173.80 0.02 . 1 . . . . . 24 GLY C . 27473 1 133 . 1 1 24 24 GLY CA C 13 46.08 0.05 . 1 . . . . . 24 GLY CA . 27473 1 134 . 1 1 24 24 GLY N N 15 112.50 0.02 . 1 . . . . . 24 GLY N . 27473 1 135 . 1 1 25 25 GLY H H 1 8.225 0.008 . 1 . . . . . 25 GLY H . 27473 1 136 . 1 1 25 25 GLY HA2 H 1 3.977 0.01 . 2 . . . . . 25 GLY HA2 . 27473 1 137 . 1 1 25 25 GLY HA3 H 1 3.977 0.01 . 2 . . . . . 25 GLY HA3 . 27473 1 138 . 1 1 25 25 GLY C C 13 173.80 0.03 . 1 . . . . . 25 GLY C . 27473 1 139 . 1 1 25 25 GLY CA C 13 44.37 0.05 . 1 . . . . . 25 GLY CA . 27473 1 140 . 1 1 25 25 GLY N N 15 108.90 0.05 . 1 . . . . . 25 GLY N . 27473 1 141 . 1 1 26 26 PRO HA H 1 4.44 0.01 . 1 . . . . . 26 PRO HA . 27473 1 142 . 1 1 26 26 PRO C C 13 177.71 0.02 . 1 . . . . . 26 PRO C . 27473 1 143 . 1 1 26 26 PRO CA C 13 63.70 0.05 . 1 . . . . . 26 PRO CA . 27473 1 144 . 1 1 26 26 PRO CB C 13 32.28 0.07 . 1 . . . . . 26 PRO CB . 27473 1 145 . 1 1 27 27 GLY H H 1 8.641 0.008 . 1 . . . . . 27 GLY H . 27473 1 146 . 1 1 27 27 GLY HA2 H 1 3.98 0.01 . 2 . . . . . 27 GLY HA2 . 27473 1 147 . 1 1 27 27 GLY HA3 H 1 3.98 0.01 . 2 . . . . . 27 GLY HA3 . 27473 1 148 . 1 1 27 27 GLY C C 13 174.49 0.02 . 1 . . . . . 27 GLY C . 27473 1 149 . 1 1 27 27 GLY CA C 13 45.41 0.02 . 1 . . . . . 27 GLY CA . 27473 1 150 . 1 1 27 27 GLY N N 15 109.50 0.05 . 1 . . . . . 27 GLY N . 27473 1 151 . 1 1 28 28 CYS H H 1 8.360 0.008 . 1 . . . . . 28 CYS H . 27473 1 152 . 1 1 28 28 CYS HA H 1 4.713 0.01 . 1 . . . . . 28 CYS HA . 27473 1 153 . 1 1 28 28 CYS C C 13 174.63 0.02 . 1 . . . . . 28 CYS C . 27473 1 154 . 1 1 28 28 CYS CA C 13 55.44 0.05 . 1 . . . . . 28 CYS CA . 27473 1 155 . 1 1 28 28 CYS CB C 13 41.09 0.07 . 1 . . . . . 28 CYS CB . 27473 1 156 . 1 1 28 28 CYS N N 15 118.60 0.05 . 1 . . . . . 28 CYS N . 27473 1 157 . 1 1 29 29 ASP H H 1 8.564 0.008 . 1 . . . . . 29 ASP H . 27473 1 158 . 1 1 29 29 ASP HA H 1 4.622 0.01 . 1 . . . . . 29 ASP HA . 27473 1 159 . 1 1 29 29 ASP C C 13 176.83 0.02 . 1 . . . . . 29 ASP C . 27473 1 160 . 1 1 29 29 ASP CA C 13 54.39 0.05 . 1 . . . . . 29 ASP CA . 27473 1 161 . 1 1 29 29 ASP CB C 13 41.33 0.07 . 1 . . . . . 29 ASP CB . 27473 1 162 . 1 1 29 29 ASP N N 15 121.80 0.05 . 1 . . . . . 29 ASP N . 27473 1 163 . 1 1 30 30 GLY H H 1 8.460 0.008 . 1 . . . . . 30 GLY H . 27473 1 164 . 1 1 30 30 GLY HA2 H 1 3.180 0.01 . 2 . . . . . 30 GLY HA2 . 27473 1 165 . 1 1 30 30 GLY HA3 H 1 3.936 0.01 . 2 . . . . . 30 GLY HA3 . 27473 1 166 . 1 1 30 30 GLY C C 13 174.40 0.02 . 1 . . . . . 30 GLY C . 27473 1 167 . 1 1 30 30 GLY CA C 13 45.70 0.05 . 1 . . . . . 30 GLY CA . 27473 1 168 . 1 1 30 30 GLY N N 15 109.80 0.05 . 1 . . . . . 30 GLY N . 27473 1 169 . 1 1 31 31 GLY H H 1 8.3920 0.008 . 1 . . . . . 31 GLY H . 27473 1 170 . 1 1 31 31 GLY HA2 H 1 3.950 0.01 . 2 . . . . . 31 GLY HA2 . 27473 1 171 . 1 1 31 31 GLY HA3 H 1 3.950 0.01 . 2 . . . . . 31 GLY HA3 . 27473 1 172 . 1 1 31 31 GLY C C 13 174.40 0.02 . 1 . . . . . 31 GLY C . 27473 1 173 . 1 1 31 31 GLY CA C 13 45.41 0.05 . 1 . . . . . 31 GLY CA . 27473 1 174 . 1 1 31 31 GLY N N 15 108.80 0.05 . 1 . . . . . 31 GLY N . 27473 1 175 . 1 1 32 32 HIS H H 1 8.400 0.008 . 1 . . . . . 32 HIS H . 27473 1 176 . 1 1 32 32 HIS HA H 1 4.734 0.01 . 1 . . . . . 32 HIS HA . 27473 1 177 . 1 1 32 32 HIS C C 13 175.09 0.02 . 1 . . . . . 32 HIS C . 27473 1 178 . 1 1 32 32 HIS CA C 13 55.46 0.05 . 1 . . . . . 32 HIS CA . 27473 1 179 . 1 1 32 32 HIS CB C 13 28.95 0.07 . 1 . . . . . 32 HIS CB . 27473 1 180 . 1 1 32 32 HIS N N 15 118.10 0.05 . 1 . . . . . 32 HIS N . 27473 1 181 . 1 1 33 33 GLY H H 1 8.374 0.008 . 1 . . . . . 33 GLY H . 27473 1 182 . 1 1 33 33 GLY HA2 H 1 3.965 0.01 . 2 . . . . . 33 GLY HA2 . 27473 1 183 . 1 1 33 33 GLY HA3 H 1 3.965 0.01 . 2 . . . . . 33 GLY HA3 . 27473 1 184 . 1 1 33 33 GLY C C 13 174.20 0.02 . 1 . . . . . 33 GLY C . 27473 1 185 . 1 1 33 33 GLY CA C 13 45.33 0.05 . 1 . . . . . 33 GLY CA . 27473 1 186 . 1 1 33 33 GLY N N 15 109.60 0.05 . 1 . . . . . 33 GLY N . 27473 1 187 . 1 1 35 35 ASN HA H 1 5.020 0.01 . 1 . . . . . 35 ASN HA . 27473 1 188 . 1 1 35 35 ASN C C 13 176.68 0.02 . 1 . . . . . 35 ASN C . 27473 1 189 . 1 1 35 35 ASN CA C 13 53.11 0.05 . 1 . . . . . 35 ASN CA . 27473 1 190 . 1 1 35 35 ASN CB C 13 37.83 0.07 . 1 . . . . . 35 ASN CB . 27473 1 191 . 1 1 36 36 GLY H H 1 9.118 0.008 . 1 . . . . . 36 GLY H . 27473 1 192 . 1 1 36 36 GLY HA2 H 1 3.377 0.01 . 2 . . . . . 36 GLY HA2 . 27473 1 193 . 1 1 36 36 GLY HA3 H 1 4.069 0.01 . 2 . . . . . 36 GLY HA3 . 27473 1 194 . 1 1 36 36 GLY C C 13 174.72 0.02 . 1 . . . . . 36 GLY C . 27473 1 195 . 1 1 36 36 GLY CA C 13 44.46 0.05 . 1 . . . . . 36 GLY CA . 27473 1 196 . 1 1 36 36 GLY N N 15 108.30 0.05 . 1 . . . . . 36 GLY N . 27473 1 197 . 1 1 37 37 GLY H H 1 9.364 0.008 . 1 . . . . . 37 GLY H . 27473 1 198 . 1 1 37 37 GLY HA2 H 1 3.494 0.01 . 2 . . . . . 37 GLY HA2 . 27473 1 199 . 1 1 37 37 GLY HA3 H 1 3.738 0.01 . 2 . . . . . 37 GLY HA3 . 27473 1 200 . 1 1 37 37 GLY C C 13 173.77 0.02 . 1 . . . . . 37 GLY C . 27473 1 201 . 1 1 37 37 GLY CA C 13 44.01 0.05 . 1 . . . . . 37 GLY CA . 27473 1 202 . 1 1 37 37 GLY N N 15 107.20 0.05 . 1 . . . . . 37 GLY N . 27473 1 203 . 1 1 38 38 ASN H H 1 8.810 0.008 . 1 . . . . . 38 ASN H . 27473 1 204 . 1 1 38 38 ASN HA H 1 5.187 0.01 . 1 . . . . . 38 ASN HA . 27473 1 205 . 1 1 38 38 ASN C C 13 176.55 0.02 . 1 . . . . . 38 ASN C . 27473 1 206 . 1 1 38 38 ASN CA C 13 52.54 0.05 . 1 . . . . . 38 ASN CA . 27473 1 207 . 1 1 38 38 ASN CB C 13 38.46 0.07 . 1 . . . . . 38 ASN CB . 27473 1 208 . 1 1 38 38 ASN N N 15 122.70 0.05 . 1 . . . . . 38 ASN N . 27473 1 209 . 1 1 39 39 GLY H H 1 9.696 0.008 . 1 . . . . . 39 GLY H . 27473 1 210 . 1 1 39 39 GLY HA2 H 1 3.209 0.01 . 2 . . . . . 39 GLY HA2 . 27473 1 211 . 1 1 39 39 GLY HA3 H 1 4.620 0.01 . 2 . . . . . 39 GLY HA3 . 27473 1 212 . 1 1 39 39 GLY C C 13 175.87 0.02 . 1 . . . . . 39 GLY C . 27473 1 213 . 1 1 39 39 GLY CA C 13 45.30 0.05 . 1 . . . . . 39 GLY CA . 27473 1 214 . 1 1 39 39 GLY N N 15 111.00 0.05 . 1 . . . . . 39 GLY N . 27473 1 215 . 1 1 40 40 ASN H H 1 8.102 0.008 . 1 . . . . . 40 ASN H . 27473 1 216 . 1 1 40 40 ASN HA H 1 4.619 0.02 . 1 . . . . . 40 ASN HA . 27473 1 217 . 1 1 40 40 ASN C C 13 171.68 0.03 . 1 . . . . . 40 ASN C . 27473 1 218 . 1 1 40 40 ASN CA C 13 51.94 0.05 . 1 . . . . . 40 ASN CA . 27473 1 219 . 1 1 40 40 ASN CB C 13 35.89 0.07 . 1 . . . . . 40 ASN CB . 27473 1 220 . 1 1 40 40 ASN N N 15 125.00 0.05 . 1 . . . . . 40 ASN N . 27473 1 221 . 1 1 41 41 PRO HA H 1 4.236 0.01 . 1 . . . . . 41 PRO HA . 27473 1 222 . 1 1 41 41 PRO C C 13 177.36 0.02 . 1 . . . . . 41 PRO C . 27473 1 223 . 1 1 41 41 PRO CA C 13 65.48 0.05 . 1 . . . . . 41 PRO CA . 27473 1 224 . 1 1 41 41 PRO CB C 13 31.39 0.07 . 1 . . . . . 41 PRO CB . 27473 1 225 . 1 1 42 42 GLY H H 1 8.557 0.008 . 1 . . . . . 42 GLY H . 27473 1 226 . 1 1 42 42 GLY HA2 H 1 3.640 0.01 . 2 . . . . . 42 GLY HA2 . 27473 1 227 . 1 1 42 42 GLY HA3 H 1 4.220 0.01 . 2 . . . . . 42 GLY HA3 . 27473 1 228 . 1 1 42 42 GLY C C 13 174.30 0.02 . 1 . . . . . 42 GLY C . 27473 1 229 . 1 1 42 42 GLY CA C 13 45.37 0.05 . 1 . . . . . 42 GLY CA . 27473 1 230 . 1 1 42 42 GLY N N 15 112.30 0.05 . 1 . . . . . 42 GLY N . 27473 1 231 . 1 1 43 43 CYS H H 1 8.616 0.008 . 1 . . . . . 43 CYS H . 27473 1 232 . 1 1 43 43 CYS HA H 1 5.013 0.01 . 1 . . . . . 43 CYS HA . 27473 1 233 . 1 1 43 43 CYS C C 13 173.64 0.02 . 1 . . . . . 43 CYS C . 27473 1 234 . 1 1 43 43 CYS CA C 13 54.94 0.05 . 1 . . . . . 43 CYS CA . 27473 1 235 . 1 1 43 43 CYS CB C 13 50.83 0.07 . 1 . . . . . 43 CYS CB . 27473 1 236 . 1 1 43 43 CYS N N 15 117.60 0.05 . 1 . . . . . 43 CYS N . 27473 1 237 . 1 1 44 44 ALA H H 1 8.809 0.008 . 1 . . . . . 44 ALA H . 27473 1 238 . 1 1 44 44 ALA HA H 1 4.300 0.01 . 1 . . . . . 44 ALA HA . 27473 1 239 . 1 1 44 44 ALA C C 13 177.42 0.02 . 1 . . . . . 44 ALA C . 27473 1 240 . 1 1 44 44 ALA CA C 13 52.02 0.05 . 1 . . . . . 44 ALA CA . 27473 1 241 . 1 1 44 44 ALA CB C 13 20.18 0.078 . 1 . . . . . 44 ALA CB . 27473 1 242 . 1 1 44 44 ALA N N 15 126.0 0.05 . 1 . . . . . 44 ALA N . 27473 1 243 . 1 1 45 45 GLY H H 1 8.038 0.008 . 1 . . . . . 45 GLY H . 27473 1 244 . 1 1 45 45 GLY HA2 H 1 3.320 0.01 . 2 . . . . . 45 GLY HA2 . 27473 1 245 . 1 1 45 45 GLY HA3 H 1 4.210 0.01 . 2 . . . . . 45 GLY HA3 . 27473 1 246 . 1 1 45 45 GLY C C 13 173.75 0.02 . 1 . . . . . 45 GLY C . 27473 1 247 . 1 1 45 45 GLY CA C 13 43.93 0.05 . 1 . . . . . 45 GLY CA . 27473 1 248 . 1 1 45 45 GLY N N 15 104.30 0.05 . 1 . . . . . 45 GLY N . 27473 1 249 . 1 1 46 46 GLY H H 1 8.912 0.008 . 1 . . . . . 46 GLY H . 27473 1 250 . 1 1 46 46 GLY HA2 H 1 3.970 0.01 . 2 . . . . . 46 GLY HA2 . 27473 1 251 . 1 1 46 46 GLY HA3 H 1 3.146 0.01 . 2 . . . . . 46 GLY HA3 . 27473 1 252 . 1 1 46 46 GLY C C 13 174.38 0.02 . 1 . . . . . 46 GLY C . 27473 1 253 . 1 1 46 46 GLY CA C 13 44.33 0.05 . 1 . . . . . 46 GLY CA . 27473 1 254 . 1 1 46 46 GLY N N 15 106.80 0.05 . 1 . . . . . 46 GLY N . 27473 1 255 . 1 1 47 47 VAL H H 1 8.525 0.008 . 1 . . . . . 47 VAL H . 27473 1 256 . 1 1 47 47 VAL HA H 1 4.558 0.01 . 1 . . . . . 47 VAL HA . 27473 1 257 . 1 1 47 47 VAL C C 13 175.72 0.02 . 1 . . . . . 47 VAL C . 27473 1 258 . 1 1 47 47 VAL CA C 13 61.37 0.05 . 1 . . . . . 47 VAL CA . 27473 1 259 . 1 1 47 47 VAL CB C 13 32.46 0.07 . 1 . . . . . 47 VAL CB . 27473 1 260 . 1 1 47 47 VAL N N 15 122.70 0.05 . 1 . . . . . 47 VAL N . 27473 1 261 . 1 1 48 48 GLY H H 1 8.647 0.008 . 1 . . . . . 48 GLY H . 27473 1 262 . 1 1 48 48 GLY HA2 H 1 3.170 0.01 . 2 . . . . . 48 GLY HA2 . 27473 1 263 . 1 1 48 48 GLY HA3 H 1 4.000 0.01 . 2 . . . . . 48 GLY HA3 . 27473 1 264 . 1 1 48 48 GLY C C 13 173.51 0.02 . 1 . . . . . 48 GLY C . 27473 1 265 . 1 1 48 48 GLY CA C 13 43.86 0.05 . 1 . . . . . 48 GLY CA . 27473 1 266 . 1 1 48 48 GLY N N 15 109.10 0.05 . 1 . . . . . 48 GLY N . 27473 1 267 . 1 1 49 49 GLY H H 1 9.412 0.008 . 1 . . . . . 49 GLY H . 27473 1 268 . 1 1 49 49 GLY HA2 H 1 3.110 0.01 . 2 . . . . . 49 GLY HA2 . 27473 1 269 . 1 1 49 49 GLY HA3 H 1 3.786 0.01 . 2 . . . . . 49 GLY HA3 . 27473 1 270 . 1 1 49 49 GLY C C 13 174.23 0.02 . 1 . . . . . 49 GLY C . 27473 1 271 . 1 1 49 49 GLY CA C 13 44.37 0.05 . 1 . . . . . 49 GLY CA . 27473 1 272 . 1 1 49 49 GLY N N 15 108.00 0.05 . 1 . . . . . 49 GLY N . 27473 1 273 . 1 1 50 50 ALA H H 1 8.741 0.008 . 1 . . . . . 50 ALA H . 27473 1 274 . 1 1 50 50 ALA HA H 1 4.746 0.01 . 1 . . . . . 50 ALA HA . 27473 1 275 . 1 1 50 50 ALA C C 13 178.17 0.02 . 1 . . . . . 50 ALA C . 27473 1 276 . 1 1 50 50 ALA CA C 13 52.03 0.05 . 1 . . . . . 50 ALA CA . 27473 1 277 . 1 1 50 50 ALA CB C 13 19.06 0.07 . 1 . . . . . 50 ALA CB . 27473 1 278 . 1 1 50 50 ALA N N 15 127.90 0.05 . 1 . . . . . 50 ALA N . 27473 1 279 . 1 1 51 51 GLY H H 1 9.024 0.008 . 1 . . . . . 51 GLY H . 27473 1 280 . 1 1 51 51 GLY HA2 H 1 3.170 0.01 . 2 . . . . . 51 GLY HA2 . 27473 1 281 . 1 1 51 51 GLY HA3 H 1 3.960 0.01 . 2 . . . . . 51 GLY HA3 . 27473 1 282 . 1 1 51 51 GLY C C 13 173.93 0.02 . 1 . . . . . 51 GLY C . 27473 1 283 . 1 1 51 51 GLY CA C 13 44.50 0.05 . 1 . . . . . 51 GLY CA . 27473 1 284 . 1 1 51 51 GLY N N 15 106.6 0.05 . 1 . . . . . 51 GLY N . 27473 1 285 . 1 1 52 52 GLY H H 1 9.297 0.008 . 1 . . . . . 52 GLY H . 27473 1 286 . 1 1 52 52 GLY HA2 H 1 3.140 0.01 . 2 . . . . . 52 GLY HA2 . 27473 1 287 . 1 1 52 52 GLY HA3 H 1 3.970 0.01 . 2 . . . . . 52 GLY HA3 . 27473 1 288 . 1 1 52 52 GLY C C 13 174.25 0.02 . 1 . . . . . 52 GLY C . 27473 1 289 . 1 1 52 52 GLY CA C 13 43.86 0.05 . 1 . . . . . 52 GLY CA . 27473 1 290 . 1 1 52 52 GLY N N 15 108.20 0.05 . 1 . . . . . 52 GLY N . 27473 1 291 . 1 1 53 53 ALA H H 1 8.486 0.008 . 1 . . . . . 53 ALA H . 27473 1 292 . 1 1 53 53 ALA HA H 1 5.023 0.01 . 1 . . . . . 53 ALA HA . 27473 1 293 . 1 1 53 53 ALA C C 13 177.26 0.02 . 1 . . . . . 53 ALA C . 27473 1 294 . 1 1 53 53 ALA CA C 13 51.82 0.05 . 1 . . . . . 53 ALA CA . 27473 1 295 . 1 1 53 53 ALA CB C 13 19.30 0.07 . 1 . . . . . 53 ALA CB . 27473 1 296 . 1 1 53 53 ALA N N 15 127.40 0.05 . 1 . . . . . 53 ALA N . 27473 1 297 . 1 1 54 54 SER H H 1 8.161 0.008 . 1 . . . . . 54 SER H . 27473 1 298 . 1 1 54 54 SER HA H 1 4.307 0.01 . 1 . . . . . 54 SER HA . 27473 1 299 . 1 1 54 54 SER C C 13 174.42 0.02 . 1 . . . . . 54 SER C . 27473 1 300 . 1 1 54 54 SER CA C 13 58.89 0.05 . 1 . . . . . 54 SER CA . 27473 1 301 . 1 1 54 54 SER CB C 13 64.67 0.07 . 1 . . . . . 54 SER CB . 27473 1 302 . 1 1 54 54 SER N N 15 115.00 0.05 . 1 . . . . . 54 SER N . 27473 1 303 . 1 1 55 55 GLY H H 1 9.097 0.008 . 1 . . . . . 55 GLY H . 27473 1 304 . 1 1 55 55 GLY HA2 H 1 4.323 0.01 . 2 . . . . . 55 GLY HA2 . 27473 1 305 . 1 1 55 55 GLY HA3 H 1 4.323 0.01 . 2 . . . . . 55 GLY HA3 . 27473 1 306 . 1 1 55 55 GLY C C 13 176.36 0.02 . 1 . . . . . 55 GLY C . 27473 1 307 . 1 1 55 55 GLY CA C 13 45.65 0.05 . 1 . . . . . 55 GLY CA . 27473 1 308 . 1 1 55 55 GLY N N 15 111.10 0.05 . 1 . . . . . 55 GLY N . 27473 1 309 . 1 1 56 56 GLY H H 1 8.108 0.008 . 1 . . . . . 56 GLY H . 27473 1 310 . 1 1 56 56 GLY HA2 H 1 3.901 0.01 . 2 . . . . . 56 GLY HA2 . 27473 1 311 . 1 1 56 56 GLY HA3 H 1 4.525 0.01 . 2 . . . . . 56 GLY HA3 . 27473 1 312 . 1 1 56 56 GLY C C 13 175.20 0.02 . 1 . . . . . 56 GLY C . 27473 1 313 . 1 1 56 56 GLY CA C 13 45.14 0.05 . 1 . . . . . 56 GLY CA . 27473 1 314 . 1 1 56 56 GLY N N 15 108.10 0.05 . 1 . . . . . 56 GLY N . 27473 1 315 . 1 1 57 57 THR H H 1 7.285 0.008 . 1 . . . . . 57 THR H . 27473 1 316 . 1 1 57 57 THR HA H 1 4.354 0.01 . 1 . . . . . 57 THR HA . 27473 1 317 . 1 1 57 57 THR C C 13 175.91 0.02 . 1 . . . . . 57 THR C . 27473 1 318 . 1 1 57 57 THR CA C 13 61.21 0.05 . 1 . . . . . 57 THR CA . 27473 1 319 . 1 1 57 57 THR CB C 13 70.72 0.07 . 1 . . . . . 57 THR CB . 27473 1 320 . 1 1 57 57 THR N N 15 107.70 0.05 . 1 . . . . . 57 THR N . 27473 1 321 . 1 1 58 58 GLY H H 1 7.834 0.008 . 1 . . . . . 58 GLY H . 27473 1 322 . 1 1 58 58 GLY HA2 H 1 4.004 0.01 . 2 . . . . . 58 GLY HA2 . 27473 1 323 . 1 1 58 58 GLY HA3 H 1 4.294 0.01 . 2 . . . . . 58 GLY HA3 . 27473 1 324 . 1 1 58 58 GLY C C 13 173.46 0.02 . 1 . . . . . 58 GLY C . 27473 1 325 . 1 1 58 58 GLY CA C 13 45.36 0.05 . 1 . . . . . 58 GLY CA . 27473 1 326 . 1 1 58 58 GLY N N 15 108.90 0.05 . 1 . . . . . 58 GLY N . 27473 1 327 . 1 1 59 59 VAL H H 1 7.772 0.008 . 1 . . . . . 59 VAL H . 27473 1 328 . 1 1 59 59 VAL HA H 1 4.184 0.01 . 1 . . . . . 59 VAL HA . 27473 1 329 . 1 1 59 59 VAL C C 13 175.72 0.02 . 1 . . . . . 59 VAL C . 27473 1 330 . 1 1 59 59 VAL CA C 13 61.95 0.05 . 1 . . . . . 59 VAL CA . 27473 1 331 . 1 1 59 59 VAL CB C 13 31.34 0.07 . 1 . . . . . 59 VAL CB . 27473 1 332 . 1 1 59 59 VAL N N 15 121.80 0.05 . 1 . . . . . 59 VAL N . 27473 1 333 . 1 1 60 60 GLY H H 1 8.520 0.008 . 1 . . . . . 60 GLY H . 27473 1 334 . 1 1 60 60 GLY HA2 H 1 3.330 0.01 . 2 . . . . . 60 GLY HA2 . 27473 1 335 . 1 1 60 60 GLY HA3 H 1 3.956 0.01 . 2 . . . . . 60 GLY HA3 . 27473 1 336 . 1 1 60 60 GLY C C 13 174.49 0.02 . 1 . . . . . 60 GLY C . 27473 1 337 . 1 1 60 60 GLY CA C 13 43.92 0.05 . 1 . . . . . 60 GLY CA . 27473 1 338 . 1 1 60 60 GLY N N 15 114.50 0.05 . 1 . . . . . 60 GLY N . 27473 1 339 . 1 1 61 61 GLY H H 1 9.141 0.008 . 1 . . . . . 61 GLY H . 27473 1 340 . 1 1 61 61 GLY HA2 H 1 3.727 0.01 . 2 . . . . . 61 GLY HA2 . 27473 1 341 . 1 1 61 61 GLY HA3 H 1 3.949 0.01 . 2 . . . . . 61 GLY HA3 . 27473 1 342 . 1 1 61 61 GLY C C 13 174.84 0.02 . 1 . . . . . 61 GLY C . 27473 1 343 . 1 1 61 61 GLY CA C 13 44.83 0.05 . 1 . . . . . 61 GLY CA . 27473 1 344 . 1 1 61 61 GLY N N 15 107.50 0.05 . 1 . . . . . 61 GLY N . 27473 1 345 . 1 1 62 62 ARG H H 1 8.364 0.008 . 1 . . . . . 62 ARG H . 27473 1 346 . 1 1 62 62 ARG HA H 1 4.374 0.01 . 1 . . . . . 62 ARG HA . 27473 1 347 . 1 1 62 62 ARG C C 13 177.77 0.02 . 1 . . . . . 62 ARG C . 27473 1 348 . 1 1 62 62 ARG CA C 13 56.41 0.05 . 1 . . . . . 62 ARG CA . 27473 1 349 . 1 1 62 62 ARG CB C 13 31.23 0.07 . 1 . . . . . 62 ARG CB . 27473 1 350 . 1 1 62 62 ARG N N 15 123.90 0.05 . 1 . . . . . 62 ARG N . 27473 1 351 . 1 1 63 63 GLY H H 1 8.735 0.008 . 1 . . . . . 63 GLY H . 27473 1 352 . 1 1 63 63 GLY HA2 H 1 3.297 0.01 . 2 . . . . . 63 GLY HA2 . 27473 1 353 . 1 1 63 63 GLY HA3 H 1 4.120 0.01 . 2 . . . . . 63 GLY HA3 . 27473 1 354 . 1 1 63 63 GLY C C 13 175.94 0.02 . 1 . . . . . 63 GLY C . 27473 1 355 . 1 1 63 63 GLY CA C 13 44.38 0.05 . 1 . . . . . 63 GLY CA . 27473 1 356 . 1 1 63 63 GLY N N 15 108.70 0.05 . 1 . . . . . 63 GLY N . 27473 1 357 . 1 1 64 64 GLY H H 1 9.507 0.008 . 1 . . . . . 64 GLY H . 27473 1 358 . 1 1 64 64 GLY HA2 H 1 3.589 0.01 . 2 . . . . . 64 GLY HA2 . 27473 1 359 . 1 1 64 64 GLY HA3 H 1 3.819 0.01 . 2 . . . . . 64 GLY HA3 . 27473 1 360 . 1 1 64 64 GLY C C 13 173.77 0.02 . 1 . . . . . 64 GLY C . 27473 1 361 . 1 1 64 64 GLY CA C 13 44.54 0.05 . 1 . . . . . 64 GLY CA . 27473 1 362 . 1 1 64 64 GLY N N 15 110.00 0.05 . 1 . . . . . 64 GLY N . 27473 1 363 . 1 1 65 65 LYS H H 1 8.611 0.008 . 1 . . . . . 65 LYS H . 27473 1 364 . 1 1 65 65 LYS HA H 1 4.427 0.01 . 1 . . . . . 65 LYS HA . 27473 1 365 . 1 1 65 65 LYS C C 13 178.15 0.02 . 1 . . . . . 65 LYS C . 27473 1 366 . 1 1 65 65 LYS CA C 13 54.54 0.05 . 1 . . . . . 65 LYS CA . 27473 1 367 . 1 1 65 65 LYS CB C 13 32.02 0.07 . 1 . . . . . 65 LYS CB . 27473 1 368 . 1 1 65 65 LYS N N 15 122.80 0.05 . 1 . . . . . 65 LYS N . 27473 1 369 . 1 1 66 66 GLY H H 1 9.406 0.008 . 1 . . . . . 66 GLY H . 27473 1 370 . 1 1 66 66 GLY HA2 H 1 3.617 0.01 . 2 . . . . . 66 GLY HA2 . 27473 1 371 . 1 1 66 66 GLY HA3 H 1 3.869 0.01 . 2 . . . . . 66 GLY HA3 . 27473 1 372 . 1 1 66 66 GLY C C 13 175.39 0.02 . 1 . . . . . 66 GLY C . 27473 1 373 . 1 1 66 66 GLY CA C 13 45.10 0.05 . 1 . . . . . 66 GLY CA . 27473 1 374 . 1 1 66 66 GLY N N 15 113.28 0.05 . 1 . . . . . 66 GLY N . 27473 1 375 . 1 1 67 67 GLY H H 1 9.277 0.008 . 1 . . . . . 67 GLY H . 27473 1 376 . 1 1 67 67 GLY HA2 H 1 3.680 0.01 . 2 . . . . . 67 GLY HA2 . 27473 1 377 . 1 1 67 67 GLY HA3 H 1 3.956 0.01 . 2 . . . . . 67 GLY HA3 . 27473 1 378 . 1 1 67 67 GLY C C 13 174.90 0.02 . 1 . . . . . 67 GLY C . 27473 1 379 . 1 1 67 67 GLY CA C 13 44.96 0.05 . 1 . . . . . 67 GLY CA . 27473 1 380 . 1 1 67 67 GLY N N 15 109.70 0.05 . 1 . . . . . 67 GLY N . 27473 1 381 . 1 1 68 68 SER H H 1 8.551 0.008 . 1 . . . . . 68 SER H . 27473 1 382 . 1 1 68 68 SER HA H 1 4.370 0.01 . 1 . . . . . 68 SER HA . 27473 1 383 . 1 1 68 68 SER C C 13 172.70 0.02 . 1 . . . . . 68 SER C . 27473 1 384 . 1 1 68 68 SER CA C 13 58.74 0.05 . 1 . . . . . 68 SER CA . 27473 1 385 . 1 1 68 68 SER CB C 13 63.91 0.07 . 1 . . . . . 68 SER CB . 27473 1 386 . 1 1 68 68 SER N N 15 117.47 0.05 . 1 . . . . . 68 SER N . 27473 1 387 . 1 1 69 69 GLY H H 1 8.087 0.008 . 1 . . . . . 69 GLY H . 27473 1 388 . 1 1 69 69 GLY HA2 H 1 4.055 0.01 . 2 . . . . . 69 GLY HA2 . 27473 1 389 . 1 1 69 69 GLY HA3 H 1 4.330 0.01 . 2 . . . . . 69 GLY HA3 . 27473 1 390 . 1 1 69 69 GLY C C 13 171.50 0.02 . 1 . . . . . 69 GLY C . 27473 1 391 . 1 1 69 69 GLY CA C 13 44.74 0.05 . 1 . . . . . 69 GLY CA . 27473 1 392 . 1 1 69 69 GLY N N 15 106.80 0.05 . 1 . . . . . 69 GLY N . 27473 1 393 . 1 1 70 70 THR H H 1 8.160 0.008 . 1 . . . . . 70 THR H . 27473 1 394 . 1 1 70 70 THR HA H 1 4.571 0.01 . 1 . . . . . 70 THR HA . 27473 1 395 . 1 1 70 70 THR C C 13 172.20 0.03 . 1 . . . . . 70 THR C . 27473 1 396 . 1 1 70 70 THR CA C 13 56.92 0.05 . 1 . . . . . 70 THR CA . 27473 1 397 . 1 1 70 70 THR CB C 13 70.65 0.07 . 1 . . . . . 70 THR CB . 27473 1 398 . 1 1 70 70 THR N N 15 114.30 0.05 . 1 . . . . . 70 THR N . 27473 1 399 . 1 1 71 71 PRO HA H 1 4.710 0.008 . 1 . . . . . 71 PRO HA . 27473 1 400 . 1 1 71 71 PRO C C 13 176.19 0.02 . 1 . . . . . 71 PRO C . 27473 1 401 . 1 1 71 71 PRO CA C 13 62.84 0.05 . 1 . . . . . 71 PRO CA . 27473 1 402 . 1 1 71 71 PRO CB C 13 34.67 0.07 . 1 . . . . . 71 PRO CB . 27473 1 403 . 1 1 72 72 LYS H H 1 8.701 0.008 . 1 . . . . . 72 LYS H . 27473 1 404 . 1 1 72 72 LYS HA H 1 4.250 0.01 . 1 . . . . . 72 LYS HA . 27473 1 405 . 1 1 72 72 LYS C C 13 177.28 0.02 . 1 . . . . . 72 LYS C . 27473 1 406 . 1 1 72 72 LYS CA C 13 56.93 0.05 . 1 . . . . . 72 LYS CA . 27473 1 407 . 1 1 72 72 LYS CB C 13 33.21 0.07 . 1 . . . . . 72 LYS CB . 27473 1 408 . 1 1 72 72 LYS N N 15 112.40 0.05 . 1 . . . . . 72 LYS N . 27473 1 409 . 1 1 73 73 GLY H H 1 8.588 0.008 . 1 . . . . . 73 GLY H . 27473 1 410 . 1 1 73 73 GLY HA2 H 1 3.190 0.01 . 2 . . . . . 73 GLY HA2 . 27473 1 411 . 1 1 73 73 GLY HA3 H 1 3.950 0.01 . 2 . . . . . 73 GLY HA3 . 27473 1 412 . 1 1 73 73 GLY C C 13 171.48 0.02 . 1 . . . . . 73 GLY C . 27473 1 413 . 1 1 73 73 GLY CA C 13 44.58 0.05 . 1 . . . . . 73 GLY CA . 27473 1 414 . 1 1 73 73 GLY N N 15 111.10 0.05 . 1 . . . . . 73 GLY N . 27473 1 415 . 1 1 74 74 ALA H H 1 8.372 0.008 . 1 . . . . . 74 ALA H . 27473 1 416 . 1 1 74 74 ALA HA H 1 4.133 0.01 . 1 . . . . . 74 ALA HA . 27473 1 417 . 1 1 74 74 ALA C C 13 177.22 0.02 . 1 . . . . . 74 ALA C . 27473 1 418 . 1 1 74 74 ALA CA C 13 52.63 0.05 . 1 . . . . . 74 ALA CA . 27473 1 419 . 1 1 74 74 ALA CB C 13 19.04 0.07 . 1 . . . . . 74 ALA CB . 27473 1 420 . 1 1 74 74 ALA N N 15 123.50 0.05 . 1 . . . . . 74 ALA N . 27473 1 421 . 1 1 75 75 ASP H H 1 8.446 0.008 . 1 . . . . . 75 ASP H . 27473 1 422 . 1 1 75 75 ASP HA H 1 5.100 0.01 . 1 . . . . . 75 ASP HA . 27473 1 423 . 1 1 75 75 ASP C C 13 178.43 0.02 . 1 . . . . . 75 ASP C . 27473 1 424 . 1 1 75 75 ASP CA C 13 53.56 0.05 . 1 . . . . . 75 ASP CA . 27473 1 425 . 1 1 75 75 ASP CB C 13 41.11 0.07 . 1 . . . . . 75 ASP CB . 27473 1 426 . 1 1 75 75 ASP N N 15 121.80 0.05 . 1 . . . . . 75 ASP N . 27473 1 427 . 1 1 76 76 GLY H H 1 9.253 0.008 . 1 . . . . . 76 GLY H . 27473 1 428 . 1 1 76 76 GLY HA2 H 1 3.173 0.01 . 2 . . . . . 76 GLY HA2 . 27473 1 429 . 1 1 76 76 GLY HA3 H 1 3.84 0.01 . 2 . . . . . 76 GLY HA3 . 27473 1 430 . 1 1 76 76 GLY C C 13 173.18 0.02 . 1 . . . . . 76 GLY C . 27473 1 431 . 1 1 76 76 GLY CA C 13 44.62 0.05 . 1 . . . . . 76 GLY CA . 27473 1 432 . 1 1 76 76 GLY N N 15 109.50 0.05 . 1 . . . . . 76 GLY N . 27473 1 433 . 1 1 77 77 ALA H H 1 8.606 0.008 . 1 . . . . . 77 ALA H . 27473 1 434 . 1 1 77 77 ALA HA H 1 4.543 0.01 . 1 . . . . . 77 ALA HA . 27473 1 435 . 1 1 77 77 ALA C C 13 174.50 0.03 . 1 . . . . . 77 ALA C . 27473 1 436 . 1 1 77 77 ALA CA C 13 50.29 0.05 . 1 . . . . . 77 ALA CA . 27473 1 437 . 1 1 77 77 ALA CB C 13 17.80 0.07 . 1 . . . . . 77 ALA CB . 27473 1 438 . 1 1 77 77 ALA N N 15 126.30 0.05 . 1 . . . . . 77 ALA N . 27473 1 439 . 1 1 78 78 PRO HA H 1 4.518 0.01 . 1 . . . . . 78 PRO HA . 27473 1 440 . 1 1 78 78 PRO C C 13 178.20 0.02 . 1 . . . . . 78 PRO C . 27473 1 441 . 1 1 78 78 PRO CA C 13 62.14 0.05 . 1 . . . . . 78 PRO CA . 27473 1 442 . 1 1 78 78 PRO CB C 13 32.42 0.07 . 1 . . . . . 78 PRO CB . 27473 1 443 . 1 1 79 79 GLY H H 1 9.139 0.008 . 1 . . . . . 79 GLY H . 27473 1 444 . 1 1 79 79 GLY HA2 H 1 3.15 0.01 . 2 . . . . . 79 GLY HA2 . 27473 1 445 . 1 1 79 79 GLY HA3 H 1 3.71 0.01 . 2 . . . . . 79 GLY HA3 . 27473 1 446 . 1 1 79 79 GLY C C 13 173.35 0.02 . 1 . . . . . 79 GLY C . 27473 1 447 . 1 1 79 79 GLY CA C 13 44.66 0.05 . 1 . . . . . 79 GLY CA . 27473 1 448 . 1 1 79 79 GLY N N 15 109.10 0.05 . 1 . . . . . 79 GLY N . 27473 1 449 . 1 1 80 80 ALA H H 1 8.317 0.008 . 1 . . . . . 80 ALA H . 27473 1 450 . 1 1 80 80 ALA HA H 1 4.454 0.01 . 1 . . . . . 80 ALA HA . 27473 1 451 . 1 1 80 80 ALA C C 13 173.70 0.03 . 1 . . . . . 80 ALA C . 27473 1 452 . 1 1 80 80 ALA CA C 13 50.71 0.05 . 1 . . . . . 80 ALA CA . 27473 1 453 . 1 1 80 80 ALA CB C 13 17.67 0.07 . 1 . . . . . 80 ALA CB . 27473 1 454 . 1 1 80 80 ALA N N 15 127.60 0.05 . 1 . . . . . 80 ALA N . 27473 1 stop_ save_