################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6699 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 1H,15N-HSQC 1 $sample_1 isotropic 6699 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 1 1 LYS HA H 1 4.531 0.05 . 1 . . . . 1 LYS HA . 6699 1 2 . 1 1 1 1 LYS C C 13 172.827 0.2 . 1 . . . . 1 LYS C . 6699 1 3 . 1 1 1 1 LYS CA C 13 52.854 0.2 . 1 . . . . 1 LYS CA . 6699 1 4 . 1 1 1 1 LYS CB C 13 31.409 0.2 . 1 . . . . 1 LYS CB . 6699 1 5 . 1 1 2 2 SER H H 1 9.015 0.05 . 1 . . . . 2 SER H . 6699 1 6 . 1 1 2 2 SER HA H 1 4.737 0.05 . 1 . . . . 2 SER HA . 6699 1 7 . 1 1 2 2 SER C C 13 170.528 0.2 . 1 . . . . 2 SER C . 6699 1 8 . 1 1 2 2 SER CA C 13 53.711 0.2 . 1 . . . . 2 SER CA . 6699 1 9 . 1 1 2 2 SER CB C 13 60.833 0.2 . 1 . . . . 2 SER CB . 6699 1 10 . 1 1 2 2 SER N N 15 119.420 0.2 . 1 . . . . 2 SER N . 6699 1 11 . 1 1 3 3 PRO HA H 1 4.242 0.05 . 1 . . . . 3 PRO HA . 6699 1 12 . 1 1 3 3 PRO C C 13 176.835 0.2 . 1 . . . . 3 PRO C . 6699 1 13 . 1 1 3 3 PRO CA C 13 63.224 0.2 . 1 . . . . 3 PRO CA . 6699 1 14 . 1 1 3 3 PRO CB C 13 28.948 0.2 . 1 . . . . 3 PRO CB . 6699 1 15 . 1 1 4 4 GLU H H 1 8.716 0.05 . 1 . . . . 4 GLU H . 6699 1 16 . 1 1 4 4 GLU HA H 1 3.996 0.05 . 1 . . . . 4 GLU HA . 6699 1 17 . 1 1 4 4 GLU C C 13 177.030 0.2 . 1 . . . . 4 GLU C . 6699 1 18 . 1 1 4 4 GLU CA C 13 57.202 0.2 . 1 . . . . 4 GLU CA . 6699 1 19 . 1 1 4 4 GLU CB C 13 25.949 0.2 . 1 . . . . 4 GLU CB . 6699 1 20 . 1 1 4 4 GLU CG C 13 33.881 0.2 . 1 . . . . 4 GLU CG . 6699 1 21 . 1 1 4 4 GLU CD C 13 181.413 0.2 . 1 . . . . 4 GLU CD . 6699 1 22 . 1 1 4 4 GLU N N 15 117.849 0.2 . 1 . . . . 4 GLU N . 6699 1 23 . 1 1 5 5 GLU H H 1 8.030 0.05 . 1 . . . . 5 GLU H . 6699 1 24 . 1 1 5 5 GLU HA H 1 4.084 0.05 . 1 . . . . 5 GLU HA . 6699 1 25 . 1 1 5 5 GLU C C 13 177.305 0.2 . 1 . . . . 5 GLU C . 6699 1 26 . 1 1 5 5 GLU CA C 13 55.993 0.2 . 1 . . . . 5 GLU CA . 6699 1 27 . 1 1 5 5 GLU CB C 13 27.420 0.2 . 1 . . . . 5 GLU CB . 6699 1 28 . 1 1 5 5 GLU CG C 13 34.560 0.2 . 1 . . . . 5 GLU CG . 6699 1 29 . 1 1 5 5 GLU CD C 13 180.693 0.2 . 1 . . . . 5 GLU CD . 6699 1 30 . 1 1 5 5 GLU N N 15 121.922 0.2 . 1 . . . . 5 GLU N . 6699 1 31 . 1 1 6 6 LEU H H 1 8.490 0.05 . 1 . . . . 6 LEU H . 6699 1 32 . 1 1 6 6 LEU HA H 1 4.192 0.05 . 1 . . . . 6 LEU HA . 6699 1 33 . 1 1 6 6 LEU C C 13 175.721 0.2 . 1 . . . . 6 LEU C . 6699 1 34 . 1 1 6 6 LEU CA C 13 55.166 0.2 . 1 . . . . 6 LEU CA . 6699 1 35 . 1 1 6 6 LEU CB C 13 39.106 0.2 . 1 . . . . 6 LEU CB . 6699 1 36 . 1 1 6 6 LEU N N 15 120.239 0.2 . 1 . . . . 6 LEU N . 6699 1 37 . 1 1 7 7 LYS H H 1 8.205 0.05 . 1 . . . . 7 LYS H . 6699 1 38 . 1 1 7 7 LYS HA H 1 3.873 0.05 . 1 . . . . 7 LYS HA . 6699 1 39 . 1 1 7 7 LYS C C 13 175.227 0.2 . 1 . . . . 7 LYS C . 6699 1 40 . 1 1 7 7 LYS CA C 13 57.098 0.2 . 1 . . . . 7 LYS CA . 6699 1 41 . 1 1 7 7 LYS CB C 13 29.307 0.2 . 1 . . . . 7 LYS CB . 6699 1 42 . 1 1 7 7 LYS N N 15 121.090 0.2 . 1 . . . . 7 LYS N . 6699 1 43 . 1 1 8 8 GLY H H 1 7.839 0.05 . 1 . . . . 8 GLY H . 6699 1 44 . 1 1 8 8 GLY HA2 H 1 3.840 0.05 . 1 . . . . 8 GLY HA2 . 6699 1 45 . 1 1 8 8 GLY HA3 H 1 3.840 0.05 . 1 . . . . 8 GLY HA3 . 6699 1 46 . 1 1 8 8 GLY C C 13 174.412 0.2 . 1 . . . . 8 GLY C . 6699 1 47 . 1 1 8 8 GLY CA C 13 44.279 0.2 . 1 . . . . 8 GLY CA . 6699 1 48 . 1 1 8 8 GLY N N 15 105.330 0.2 . 1 . . . . 8 GLY N . 6699 1 49 . 1 1 9 9 ILE H H 1 7.985 0.05 . 1 . . . . 9 ILE H . 6699 1 50 . 1 1 9 9 ILE HA H 1 3.812 0.05 . 1 . . . . 9 ILE HA . 6699 1 51 . 1 1 9 9 ILE C C 13 174.021 0.2 . 1 . . . . 9 ILE C . 6699 1 52 . 1 1 9 9 ILE CA C 13 62.751 0.2 . 1 . . . . 9 ILE CA . 6699 1 53 . 1 1 9 9 ILE CB C 13 35.842 0.2 . 1 . . . . 9 ILE CB . 6699 1 54 . 1 1 9 9 ILE N N 15 122.679 0.2 . 1 . . . . 9 ILE N . 6699 1 55 . 1 1 10 10 PHE H H 1 8.372 0.05 . 1 . . . . 10 PHE H . 6699 1 56 . 1 1 10 10 PHE HA H 1 3.416 0.05 . 1 . . . . 10 PHE HA . 6699 1 57 . 1 1 10 10 PHE C C 13 173.669 0.2 . 1 . . . . 10 PHE C . 6699 1 58 . 1 1 10 10 PHE CA C 13 60.084 0.2 . 1 . . . . 10 PHE CA . 6699 1 59 . 1 1 10 10 PHE CB C 13 36.476 0.2 . 1 . . . . 10 PHE CB . 6699 1 60 . 1 1 10 10 PHE N N 15 120.084 0.2 . 1 . . . . 10 PHE N . 6699 1 61 . 1 1 11 11 GLU H H 1 8.471 0.05 . 1 . . . . 11 GLU H . 6699 1 62 . 1 1 11 11 GLU HA H 1 3.669 0.05 . 1 . . . . 11 GLU HA . 6699 1 63 . 1 1 11 11 GLU C C 13 176.402 0.2 . 1 . . . . 11 GLU C . 6699 1 64 . 1 1 11 11 GLU CA C 13 56.300 0.2 . 1 . . . . 11 GLU CA . 6699 1 65 . 1 1 11 11 GLU CB C 13 26.620 0.2 . 1 . . . . 11 GLU CB . 6699 1 66 . 1 1 11 11 GLU CG C 13 34.133 0.2 . 1 . . . . 11 GLU CG . 6699 1 67 . 1 1 11 11 GLU CD C 13 180.280 0.2 . 1 . . . . 11 GLU CD . 6699 1 68 . 1 1 11 11 GLU N N 15 115.077 0.2 . 1 . . . . 11 GLU N . 6699 1 69 . 1 1 12 12 LYS H H 1 7.648 0.05 . 1 . . . . 12 LYS H . 6699 1 70 . 1 1 12 12 LYS HA H 1 3.881 0.05 . 1 . . . . 12 LYS HA . 6699 1 71 . 1 1 12 12 LYS C C 13 175.310 0.2 . 1 . . . . 12 LYS C . 6699 1 72 . 1 1 12 12 LYS CA C 13 56.204 0.2 . 1 . . . . 12 LYS CA . 6699 1 73 . 1 1 12 12 LYS CB C 13 29.334 0.2 . 1 . . . . 12 LYS CB . 6699 1 74 . 1 1 12 12 LYS N N 15 118.817 0.2 . 1 . . . . 12 LYS N . 6699 1 75 . 1 1 13 13 TYR H H 1 7.165 0.05 . 1 . . . . 13 TYR H . 6699 1 76 . 1 1 13 13 TYR HA H 1 3.945 0.05 . 1 . . . . 13 TYR HA . 6699 1 77 . 1 1 13 13 TYR C C 13 173.768 0.2 . 1 . . . . 13 TYR C . 6699 1 78 . 1 1 13 13 TYR CA C 13 58.481 0.2 . 1 . . . . 13 TYR CA . 6699 1 79 . 1 1 13 13 TYR CB C 13 36.913 0.2 . 1 . . . . 13 TYR CB . 6699 1 80 . 1 1 13 13 TYR N N 15 114.664 0.2 . 1 . . . . 13 TYR N . 6699 1 81 . 1 1 14 14 ALA H H 1 8.365 0.05 . 1 . . . . 14 ALA H . 6699 1 82 . 1 1 14 14 ALA HA H 1 3.789 0.05 . 1 . . . . 14 ALA HA . 6699 1 83 . 1 1 14 14 ALA C C 13 176.403 0.2 . 1 . . . . 14 ALA C . 6699 1 84 . 1 1 14 14 ALA CA C 13 51.182 0.2 . 1 . . . . 14 ALA CA . 6699 1 85 . 1 1 14 14 ALA CB C 13 14.840 0.2 . 1 . . . . 14 ALA CB . 6699 1 86 . 1 1 14 14 ALA N N 15 119.319 0.2 . 1 . . . . 14 ALA N . 6699 1 87 . 1 1 15 15 ALA H H 1 6.833 0.05 . 1 . . . . 15 ALA H . 6699 1 88 . 1 1 15 15 ALA HA H 1 4.169 0.05 . 1 . . . . 15 ALA HA . 6699 1 89 . 1 1 15 15 ALA C C 13 174.887 0.2 . 1 . . . . 15 ALA C . 6699 1 90 . 1 1 15 15 ALA CA C 13 49.623 0.2 . 1 . . . . 15 ALA CA . 6699 1 91 . 1 1 15 15 ALA CB C 13 16.102 0.2 . 1 . . . . 15 ALA CB . 6699 1 92 . 1 1 15 15 ALA N N 15 117.091 0.2 . 1 . . . . 15 ALA N . 6699 1 93 . 1 1 16 16 LYS H H 1 7.115 0.05 . 1 . . . . 16 LYS H . 6699 1 94 . 1 1 16 16 LYS HA H 1 3.785 0.05 . 1 . . . . 16 LYS HA . 6699 1 95 . 1 1 16 16 LYS C C 13 174.420 0.2 . 1 . . . . 16 LYS C . 6699 1 96 . 1 1 16 16 LYS CA C 13 57.120 0.2 . 1 . . . . 16 LYS CA . 6699 1 97 . 1 1 16 16 LYS N N 15 119.964 0.2 . 1 . . . . 16 LYS N . 6699 1 98 . 1 1 17 17 GLU H H 1 9.596 0.05 . 1 . . . . 17 GLU H . 6699 1 99 . 1 1 17 17 GLU HA H 1 4.627 0.05 . 1 . . . . 17 GLU HA . 6699 1 100 . 1 1 17 17 GLU C C 13 173.433 0.2 . 1 . . . . 17 GLU C . 6699 1 101 . 1 1 17 17 GLU CA C 13 51.243 0.2 . 1 . . . . 17 GLU CA . 6699 1 102 . 1 1 17 17 GLU CB C 13 30.178 0.2 . 1 . . . . 17 GLU CB . 6699 1 103 . 1 1 17 17 GLU CG C 13 32.071 0.2 . 1 . . . . 17 GLU CG . 6699 1 104 . 1 1 17 17 GLU CD C 13 181.291 0.2 . 1 . . . . 17 GLU CD . 6699 1 105 . 1 1 17 17 GLU N N 15 116.038 0.2 . 1 . . . . 17 GLU N . 6699 1 106 . 1 1 18 18 GLY H H 1 8.913 0.05 . 1 . . . . 18 GLY H . 6699 1 107 . 1 1 18 18 GLY HA2 H 1 3.802 0.05 . 1 . . . . 18 GLY HA2 . 6699 1 108 . 1 1 18 18 GLY HA3 H 1 3.607 0.05 . 1 . . . . 18 GLY HA3 . 6699 1 109 . 1 1 18 18 GLY C C 13 170.988 0.2 . 1 . . . . 18 GLY C . 6699 1 110 . 1 1 18 18 GLY CA C 13 43.101 0.2 . 1 . . . . 18 GLY CA . 6699 1 111 . 1 1 18 18 GLY N N 15 113.038 0.2 . 1 . . . . 18 GLY N . 6699 1 112 . 1 1 19 19 ASP H H 1 8.526 0.05 . 1 . . . . 19 ASP H . 6699 1 113 . 1 1 19 19 ASP HA H 1 4.635 0.05 . 1 . . . . 19 ASP HA . 6699 1 114 . 1 1 19 19 ASP C C 13 174.748 0.2 . 1 . . . . 19 ASP C . 6699 1 115 . 1 1 19 19 ASP CA C 13 49.312 0.2 . 1 . . . . 19 ASP CA . 6699 1 116 . 1 1 19 19 ASP CB C 13 38.681 0.2 . 1 . . . . 19 ASP CB . 6699 1 117 . 1 1 19 19 ASP CG C 13 176.877 0.2 . 1 . . . . 19 ASP CG . 6699 1 118 . 1 1 19 19 ASP N N 15 127.397 0.2 . 1 . . . . 19 ASP N . 6699 1 119 . 1 1 20 20 PRO HA H 1 4.841 0.05 . 1 . . . . 20 PRO HA . 6699 1 120 . 1 1 20 20 PRO C C 13 171.934 0.2 . 1 . . . . 20 PRO C . 6699 1 121 . 1 1 20 20 PRO CA C 13 61.133 0.2 . 1 . . . . 20 PRO CA . 6699 1 122 . 1 1 20 20 PRO CB C 13 28.345 0.2 . 1 . . . . 20 PRO CB . 6699 1 123 . 1 1 21 21 ASN H H 1 9.065 0.05 . 1 . . . . 21 ASN H . 6699 1 124 . 1 1 21 21 ASN HA H 1 4.968 0.05 . 1 . . . . 21 ASN HA . 6699 1 125 . 1 1 21 21 ASN HD21 H 1 6.917 0.05 . 1 . . . . 21 ASN HD21 . 6699 1 126 . 1 1 21 21 ASN HD22 H 1 7.932 0.05 . 1 . . . . 21 ASN HD22 . 6699 1 127 . 1 1 21 21 ASN C C 13 170.811 0.2 . 1 . . . . 21 ASN C . 6699 1 128 . 1 1 21 21 ASN CA C 13 49.385 0.2 . 1 . . . . 21 ASN CA . 6699 1 129 . 1 1 21 21 ASN CB C 13 37.426 0.2 . 1 . . . . 21 ASN CB . 6699 1 130 . 1 1 21 21 ASN CG C 13 175.206 0.2 . 1 . . . . 21 ASN CG . 6699 1 131 . 1 1 21 21 ASN N N 15 116.235 0.2 . 1 . . . . 21 ASN N . 6699 1 132 . 1 1 21 21 ASN ND2 N 15 114.855 0.2 . 1 . . . . 21 ASN ND2 . 6699 1 133 . 1 1 22 22 GLN H H 1 7.079 0.05 . 1 . . . . 22 GLN H . 6699 1 134 . 1 1 22 22 GLN HA H 1 4.859 0.05 . 1 . . . . 22 GLN HA . 6699 1 135 . 1 1 22 22 GLN HE21 H 1 6.189 0.05 . 1 . . . . 22 GLN HE21 . 6699 1 136 . 1 1 22 22 GLN HE22 H 1 7.341 0.05 . 1 . . . . 22 GLN HE22 . 6699 1 137 . 1 1 22 22 GLN C C 13 172.177 0.2 . 1 . . . . 22 GLN C . 6699 1 138 . 1 1 22 22 GLN CA C 13 51.209 0.2 . 1 . . . . 22 GLN CA . 6699 1 139 . 1 1 22 22 GLN CB C 13 31.069 0.2 . 1 . . . . 22 GLN CB . 6699 1 140 . 1 1 22 22 GLN CG C 13 29.405 0.2 . 1 . . . . 22 GLN CG . 6699 1 141 . 1 1 22 22 GLN CD C 13 175.799 0.2 . 1 . . . . 22 GLN CD . 6699 1 142 . 1 1 22 22 GLN N N 15 114.724 0.2 . 1 . . . . 22 GLN N . 6699 1 143 . 1 1 22 22 GLN NE2 N 15 108.359 0.2 . 1 . . . . 22 GLN NE2 . 6699 1 144 . 1 1 23 23 LEU H H 1 9.605 0.05 . 1 . . . . 23 LEU H . 6699 1 145 . 1 1 23 23 LEU HA H 1 5.351 0.05 . 1 . . . . 23 LEU HA . 6699 1 146 . 1 1 23 23 LEU C C 13 174.246 0.2 . 1 . . . . 23 LEU C . 6699 1 147 . 1 1 23 23 LEU CA C 13 50.597 0.2 . 1 . . . . 23 LEU CA . 6699 1 148 . 1 1 23 23 LEU CB C 13 41.413 0.2 . 1 . . . . 23 LEU CB . 6699 1 149 . 1 1 23 23 LEU N N 15 126.633 0.2 . 1 . . . . 23 LEU N . 6699 1 150 . 1 1 24 24 SER H H 1 10.070 0.05 . 1 . . . . 24 SER H . 6699 1 151 . 1 1 24 24 SER HA H 1 4.859 0.05 . 1 . . . . 24 SER HA . 6699 1 152 . 1 1 24 24 SER C C 13 172.390 0.2 . 1 . . . . 24 SER C . 6699 1 153 . 1 1 24 24 SER CA C 13 53.498 0.2 . 1 . . . . 24 SER CA . 6699 1 154 . 1 1 24 24 SER CB C 13 63.011 0.2 . 1 . . . . 24 SER CB . 6699 1 155 . 1 1 24 24 SER N N 15 122.054 0.2 . 1 . . . . 24 SER N . 6699 1 156 . 1 1 25 25 LYS H H 1 8.701 0.05 . 1 . . . . 25 LYS H . 6699 1 157 . 1 1 25 25 LYS HA H 1 3.377 0.05 . 1 . . . . 25 LYS HA . 6699 1 158 . 1 1 25 25 LYS C C 13 175.371 0.2 . 1 . . . . 25 LYS C . 6699 1 159 . 1 1 25 25 LYS CA C 13 58.535 0.2 . 1 . . . . 25 LYS CA . 6699 1 160 . 1 1 25 25 LYS CB C 13 28.146 0.2 . 1 . . . . 25 LYS CB . 6699 1 161 . 1 1 25 25 LYS N N 15 122.333 0.2 . 1 . . . . 25 LYS N . 6699 1 162 . 1 1 26 26 GLU H H 1 8.042 0.05 . 1 . . . . 26 GLU H . 6699 1 163 . 1 1 26 26 GLU HA H 1 3.880 0.05 . 1 . . . . 26 GLU HA . 6699 1 164 . 1 1 26 26 GLU C C 13 176.977 0.2 . 1 . . . . 26 GLU C . 6699 1 165 . 1 1 26 26 GLU CA C 13 56.322 0.2 . 1 . . . . 26 GLU CA . 6699 1 166 . 1 1 26 26 GLU CB C 13 26.381 0.2 . 1 . . . . 26 GLU CB . 6699 1 167 . 1 1 26 26 GLU CG C 13 33.312 0.2 . 1 . . . . 26 GLU CG . 6699 1 168 . 1 1 26 26 GLU CD C 13 182.295 0.2 . 1 . . . . 26 GLU CD . 6699 1 169 . 1 1 26 26 GLU N N 15 117.466 0.2 . 1 . . . . 26 GLU N . 6699 1 170 . 1 1 27 27 GLU H H 1 7.628 0.05 . 1 . . . . 27 GLU H . 6699 1 171 . 1 1 27 27 GLU HA H 1 3.911 0.05 . 1 . . . . 27 GLU HA . 6699 1 172 . 1 1 27 27 GLU C C 13 176.182 0.2 . 1 . . . . 27 GLU C . 6699 1 173 . 1 1 27 27 GLU CA C 13 56.538 0.2 . 1 . . . . 27 GLU CA . 6699 1 174 . 1 1 27 27 GLU CB C 13 27.647 0.2 . 1 . . . . 27 GLU CB . 6699 1 175 . 1 1 27 27 GLU CG C 13 34.144 0.2 . 1 . . . . 27 GLU CG . 6699 1 176 . 1 1 27 27 GLU CD C 13 182.563 0.2 . 1 . . . . 27 GLU CD . 6699 1 177 . 1 1 27 27 GLU N N 15 119.783 0.2 . 1 . . . . 27 GLU N . 6699 1 178 . 1 1 28 28 LEU H H 1 8.650 0.05 . 1 . . . . 28 LEU H . 6699 1 179 . 1 1 28 28 LEU HA H 1 3.990 0.05 . 1 . . . . 28 LEU HA . 6699 1 180 . 1 1 28 28 LEU C C 13 174.879 0.2 . 1 . . . . 28 LEU C . 6699 1 181 . 1 1 28 28 LEU CA C 13 54.868 0.2 . 1 . . . . 28 LEU CA . 6699 1 182 . 1 1 28 28 LEU N N 15 119.211 0.2 . 1 . . . . 28 LEU N . 6699 1 183 . 1 1 29 29 LYS H H 1 8.338 0.05 . 1 . . . . 29 LYS H . 6699 1 184 . 1 1 29 29 LYS HA H 1 3.569 0.05 . 1 . . . . 29 LYS HA . 6699 1 185 . 1 1 29 29 LYS C C 13 174.893 0.2 . 1 . . . . 29 LYS C . 6699 1 186 . 1 1 29 29 LYS CA C 13 57.831 0.2 . 1 . . . . 29 LYS CA . 6699 1 187 . 1 1 29 29 LYS CB C 13 29.026 0.2 . 1 . . . . 29 LYS CB . 6699 1 188 . 1 1 29 29 LYS N N 15 119.876 0.2 . 1 . . . . 29 LYS N . 6699 1 189 . 1 1 30 30 LEU H H 1 7.467 0.05 . 1 . . . . 30 LEU H . 6699 1 190 . 1 1 30 30 LEU HA H 1 4.068 0.05 . 1 . . . . 30 LEU HA . 6699 1 191 . 1 1 30 30 LEU C C 13 176.222 0.2 . 1 . . . . 30 LEU C . 6699 1 192 . 1 1 30 30 LEU CA C 13 54.896 0.2 . 1 . . . . 30 LEU CA . 6699 1 193 . 1 1 30 30 LEU CB C 13 39.100 0.2 . 1 . . . . 30 LEU CB . 6699 1 194 . 1 1 30 30 LEU N N 15 118.077 0.2 . 1 . . . . 30 LEU N . 6699 1 195 . 1 1 31 31 LEU H H 1 8.017 0.05 . 1 . . . . 31 LEU H . 6699 1 196 . 1 1 31 31 LEU HA H 1 2.140 0.05 . 1 . . . . 31 LEU HA . 6699 1 197 . 1 1 31 31 LEU C C 13 176.638 0.2 . 1 . . . . 31 LEU C . 6699 1 198 . 1 1 31 31 LEU CA C 13 56.192 0.2 . 1 . . . . 31 LEU CA . 6699 1 199 . 1 1 31 31 LEU CB C 13 39.765 0.2 . 1 . . . . 31 LEU CB . 6699 1 200 . 1 1 31 31 LEU N N 15 123.987 0.2 . 1 . . . . 31 LEU N . 6699 1 201 . 1 1 32 32 LEU H H 1 8.749 0.05 . 1 . . . . 32 LEU H . 6699 1 202 . 1 1 32 32 LEU HA H 1 3.785 0.05 . 1 . . . . 32 LEU HA . 6699 1 203 . 1 1 32 32 LEU C C 13 175.838 0.2 . 1 . . . . 32 LEU C . 6699 1 204 . 1 1 32 32 LEU CA C 13 55.917 0.2 . 1 . . . . 32 LEU CA . 6699 1 205 . 1 1 32 32 LEU CB C 13 38.791 0.2 . 1 . . . . 32 LEU CB . 6699 1 206 . 1 1 32 32 LEU N N 15 119.892 0.2 . 1 . . . . 32 LEU N . 6699 1 207 . 1 1 33 33 GLN H H 1 8.459 0.05 . 1 . . . . 33 GLN H . 6699 1 208 . 1 1 33 33 GLN HA H 1 3.754 0.05 . 1 . . . . 33 GLN HA . 6699 1 209 . 1 1 33 33 GLN HE21 H 1 6.712 0.05 . 1 . . . . 33 GLN HE21 . 6699 1 210 . 1 1 33 33 GLN HE22 H 1 7.287 0.05 . 1 . . . . 33 GLN HE22 . 6699 1 211 . 1 1 33 33 GLN C C 13 174.683 0.2 . 1 . . . . 33 GLN C . 6699 1 212 . 1 1 33 33 GLN CA C 13 56.001 0.2 . 1 . . . . 33 GLN CA . 6699 1 213 . 1 1 33 33 GLN CB C 13 26.165 0.2 . 1 . . . . 33 GLN CB . 6699 1 214 . 1 1 33 33 GLN CG C 13 31.658 0.2 . 1 . . . . 33 GLN CG . 6699 1 215 . 1 1 33 33 GLN CD C 13 177.308 0.2 . 1 . . . . 33 GLN CD . 6699 1 216 . 1 1 33 33 GLN N N 15 114.281 0.2 . 1 . . . . 33 GLN N . 6699 1 217 . 1 1 33 33 GLN NE2 N 15 110.478 0.2 . 1 . . . . 33 GLN NE2 . 6699 1 218 . 1 1 34 34 THR H H 1 7.486 0.05 . 1 . . . . 34 THR H . 6699 1 219 . 1 1 34 34 THR HA H 1 3.983 0.05 . 1 . . . . 34 THR HA . 6699 1 220 . 1 1 34 34 THR C C 13 172.783 0.2 . 1 . . . . 34 THR C . 6699 1 221 . 1 1 34 34 THR CA C 13 62.774 0.2 . 1 . . . . 34 THR CA . 6699 1 222 . 1 1 34 34 THR CB C 13 67.019 0.2 . 1 . . . . 34 THR CB . 6699 1 223 . 1 1 34 34 THR N N 15 110.638 0.2 . 1 . . . . 34 THR N . 6699 1 224 . 1 1 35 35 GLU H H 1 8.341 0.05 . 1 . . . . 35 GLU H . 6699 1 225 . 1 1 35 35 GLU HA H 1 4.108 0.05 . 1 . . . . 35 GLU HA . 6699 1 226 . 1 1 35 35 GLU C C 13 174.108 0.2 . 1 . . . . 35 GLU C . 6699 1 227 . 1 1 35 35 GLU CA C 13 53.712 0.2 . 1 . . . . 35 GLU CA . 6699 1 228 . 1 1 35 35 GLU CB C 13 27.465 0.2 . 1 . . . . 35 GLU CB . 6699 1 229 . 1 1 35 35 GLU CG C 13 31.430 0.2 . 1 . . . . 35 GLU CG . 6699 1 230 . 1 1 35 35 GLU CD C 13 178.564 0.2 . 1 . . . . 35 GLU CD . 6699 1 231 . 1 1 35 35 GLU N N 15 115.946 0.2 . 1 . . . . 35 GLU N . 6699 1 232 . 1 1 36 36 PHE H H 1 7.755 0.05 . 1 . . . . 36 PHE H . 6699 1 233 . 1 1 36 36 PHE HA H 1 5.135 0.05 . 1 . . . . 36 PHE HA . 6699 1 234 . 1 1 36 36 PHE C C 13 170.714 0.2 . 1 . . . . 36 PHE C . 6699 1 235 . 1 1 36 36 PHE CA C 13 52.076 0.2 . 1 . . . . 36 PHE CA . 6699 1 236 . 1 1 36 36 PHE CB C 13 38.281 0.2 . 1 . . . . 36 PHE CB . 6699 1 237 . 1 1 36 36 PHE N N 15 114.597 0.2 . 1 . . . . 36 PHE N . 6699 1 238 . 1 1 37 37 PRO HA H 1 4.101 0.05 . 1 . . . . 37 PRO HA . 6699 1 239 . 1 1 37 37 PRO C C 13 176.888 0.2 . 1 . . . . 37 PRO C . 6699 1 240 . 1 1 37 37 PRO CA C 13 62.684 0.2 . 1 . . . . 37 PRO CA . 6699 1 241 . 1 1 37 37 PRO CB C 13 28.247 0.2 . 1 . . . . 37 PRO CB . 6699 1 242 . 1 1 38 38 SER H H 1 8.345 0.05 . 1 . . . . 38 SER H . 6699 1 243 . 1 1 38 38 SER HA H 1 4.175 0.05 . 1 . . . . 38 SER HA . 6699 1 244 . 1 1 38 38 SER C C 13 173.599 0.2 . 1 . . . . 38 SER C . 6699 1 245 . 1 1 38 38 SER CA C 13 57.656 0.2 . 1 . . . . 38 SER CA . 6699 1 246 . 1 1 38 38 SER CB C 13 59.876 0.2 . 1 . . . . 38 SER CB . 6699 1 247 . 1 1 38 38 SER N N 15 113.620 0.2 . 1 . . . . 38 SER N . 6699 1 248 . 1 1 39 39 LEU H H 1 7.869 0.05 . 1 . . . . 39 LEU H . 6699 1 249 . 1 1 39 39 LEU HA H 1 4.099 0.05 . 1 . . . . 39 LEU HA . 6699 1 250 . 1 1 39 39 LEU C C 13 175.466 0.2 . 1 . . . . 39 LEU C . 6699 1 251 . 1 1 39 39 LEU CA C 13 54.167 0.2 . 1 . . . . 39 LEU CA . 6699 1 252 . 1 1 39 39 LEU CB C 13 39.208 0.2 . 1 . . . . 39 LEU CB . 6699 1 253 . 1 1 39 39 LEU N N 15 122.378 0.2 . 1 . . . . 39 LEU N . 6699 1 254 . 1 1 40 40 LEU H H 1 7.631 0.05 . 1 . . . . 40 LEU H . 6699 1 255 . 1 1 40 40 LEU HA H 1 4.289 0.05 . 1 . . . . 40 LEU HA . 6699 1 256 . 1 1 40 40 LEU C C 13 174.299 0.2 . 1 . . . . 40 LEU C . 6699 1 257 . 1 1 40 40 LEU CA C 13 51.903 0.2 . 1 . . . . 40 LEU CA . 6699 1 258 . 1 1 40 40 LEU CB C 13 38.574 0.2 . 1 . . . . 40 LEU CB . 6699 1 259 . 1 1 40 40 LEU N N 15 116.843 0.2 . 1 . . . . 40 LEU N . 6699 1 260 . 1 1 41 41 LYS H H 1 7.376 0.05 . 1 . . . . 41 LYS H . 6699 1 261 . 1 1 41 41 LYS HA H 1 4.276 0.05 . 1 . . . . 41 LYS HA . 6699 1 262 . 1 1 41 41 LYS C C 13 174.057 0.2 . 1 . . . . 41 LYS C . 6699 1 263 . 1 1 41 41 LYS CA C 13 53.655 0.2 . 1 . . . . 41 LYS CA . 6699 1 264 . 1 1 41 41 LYS CB C 13 29.542 0.2 . 1 . . . . 41 LYS CB . 6699 1 265 . 1 1 41 41 LYS N N 15 120.218 0.2 . 1 . . . . 41 LYS N . 6699 1 266 . 1 1 42 42 GLY H H 1 8.011 0.05 . 1 . . . . 42 GLY H . 6699 1 267 . 1 1 42 42 GLY HA2 H 1 4.003 0.05 . 1 . . . . 42 GLY HA2 . 6699 1 268 . 1 1 42 42 GLY HA3 H 1 3.899 0.05 . 1 . . . . 42 GLY HA3 . 6699 1 269 . 1 1 42 42 GLY C C 13 171.713 0.2 . 1 . . . . 42 GLY C . 6699 1 270 . 1 1 42 42 GLY CA C 13 42.208 0.2 . 1 . . . . 42 GLY CA . 6699 1 271 . 1 1 42 42 GLY N N 15 108.903 0.2 . 1 . . . . 42 GLY N . 6699 1 272 . 1 1 43 43 MET H H 1 8.288 0.05 . 1 . . . . 43 MET H . 6699 1 273 . 1 1 43 43 MET HA H 1 4.367 0.05 . 1 . . . . 43 MET HA . 6699 1 274 . 1 1 43 43 MET C C 13 174.224 0.2 . 1 . . . . 43 MET C . 6699 1 275 . 1 1 43 43 MET CA C 13 53.523 0.2 . 1 . . . . 43 MET CA . 6699 1 276 . 1 1 43 43 MET CB C 13 29.928 0.2 . 1 . . . . 43 MET CB . 6699 1 277 . 1 1 43 43 MET N N 15 120.092 0.2 . 1 . . . . 43 MET N . 6699 1 278 . 1 1 44 44 SER H H 1 8.212 0.05 . 1 . . . . 44 SER H . 6699 1 279 . 1 1 44 44 SER HA H 1 4.545 0.05 . 1 . . . . 44 SER HA . 6699 1 280 . 1 1 44 44 SER C C 13 171.969 0.2 . 1 . . . . 44 SER C . 6699 1 281 . 1 1 44 44 SER CA C 13 56.033 0.2 . 1 . . . . 44 SER CA . 6699 1 282 . 1 1 44 44 SER CB C 13 60.750 0.2 . 1 . . . . 44 SER CB . 6699 1 283 . 1 1 44 44 SER N N 15 115.497 0.2 . 1 . . . . 44 SER N . 6699 1 284 . 1 1 45 45 THR H H 1 7.940 0.05 . 1 . . . . 45 THR H . 6699 1 285 . 1 1 45 45 THR HA H 1 4.335 0.05 . 1 . . . . 45 THR HA . 6699 1 286 . 1 1 45 45 THR C C 13 172.439 0.2 . 1 . . . . 45 THR C . 6699 1 287 . 1 1 45 45 THR CA C 13 58.833 0.2 . 1 . . . . 45 THR CA . 6699 1 288 . 1 1 45 45 THR CB C 13 68.075 0.2 . 1 . . . . 45 THR CB . 6699 1 289 . 1 1 45 45 THR N N 15 113.423 0.2 . 1 . . . . 45 THR N . 6699 1 290 . 1 1 46 46 LEU H H 1 8.595 0.05 . 1 . . . . 46 LEU H . 6699 1 291 . 1 1 46 46 LEU HA H 1 3.934 0.05 . 1 . . . . 46 LEU HA . 6699 1 292 . 1 1 46 46 LEU C C 13 175.331 0.2 . 1 . . . . 46 LEU C . 6699 1 293 . 1 1 46 46 LEU CA C 13 55.009 0.2 . 1 . . . . 46 LEU CA . 6699 1 294 . 1 1 46 46 LEU CB C 13 38.396 0.2 . 1 . . . . 46 LEU CB . 6699 1 295 . 1 1 46 46 LEU N N 15 122.679 0.2 . 1 . . . . 46 LEU N . 6699 1 296 . 1 1 47 47 ASP H H 1 8.123 0.05 . 1 . . . . 47 ASP H . 6699 1 297 . 1 1 47 47 ASP HA H 1 4.097 0.05 . 1 . . . . 47 ASP HA . 6699 1 298 . 1 1 47 47 ASP C C 13 175.941 0.2 . 1 . . . . 47 ASP C . 6699 1 299 . 1 1 47 47 ASP CA C 13 55.288 0.2 . 1 . . . . 47 ASP CA . 6699 1 300 . 1 1 47 47 ASP CB C 13 37.466 0.2 . 1 . . . . 47 ASP CB . 6699 1 301 . 1 1 47 47 ASP CG C 13 177.076 0.2 . 1 . . . . 47 ASP CG . 6699 1 302 . 1 1 47 47 ASP N N 15 117.136 0.2 . 1 . . . . 47 ASP N . 6699 1 303 . 1 1 48 48 GLU H H 1 7.675 0.05 . 1 . . . . 48 GLU H . 6699 1 304 . 1 1 48 48 GLU HA H 1 4.040 0.05 . 1 . . . . 48 GLU HA . 6699 1 305 . 1 1 48 48 GLU C C 13 176.689 0.2 . 1 . . . . 48 GLU C . 6699 1 306 . 1 1 48 48 GLU CA C 13 56.057 0.2 . 1 . . . . 48 GLU CA . 6699 1 307 . 1 1 48 48 GLU CB C 13 26.301 0.2 . 1 . . . . 48 GLU CB . 6699 1 308 . 1 1 48 48 GLU CG C 13 33.901 0.2 . 1 . . . . 48 GLU CG . 6699 1 309 . 1 1 48 48 GLU CD C 13 181.181 0.2 . 1 . . . . 48 GLU CD . 6699 1 310 . 1 1 48 48 GLU N N 15 118.924 0.2 . 1 . . . . 48 GLU N . 6699 1 311 . 1 1 49 49 LEU H H 1 8.302 0.05 . 1 . . . . 49 LEU H . 6699 1 312 . 1 1 49 49 LEU HA H 1 4.124 0.05 . 1 . . . . 49 LEU HA . 6699 1 313 . 1 1 49 49 LEU C C 13 175.654 0.2 . 1 . . . . 49 LEU C . 6699 1 314 . 1 1 49 49 LEU CA C 13 54.862 0.2 . 1 . . . . 49 LEU CA . 6699 1 315 . 1 1 49 49 LEU CB C 13 39.099 0.2 . 1 . . . . 49 LEU CB . 6699 1 316 . 1 1 49 49 LEU N N 15 121.922 0.2 . 1 . . . . 49 LEU N . 6699 1 317 . 1 1 50 50 PHE H H 1 8.850 0.05 . 1 . . . . 50 PHE H . 6699 1 318 . 1 1 50 50 PHE HA H 1 3.587 0.05 . 1 . . . . 50 PHE HA . 6699 1 319 . 1 1 50 50 PHE C C 13 173.751 0.2 . 1 . . . . 50 PHE C . 6699 1 320 . 1 1 50 50 PHE CA C 13 60.648 0.2 . 1 . . . . 50 PHE CA . 6699 1 321 . 1 1 50 50 PHE CB C 13 36.129 0.2 . 1 . . . . 50 PHE CB . 6699 1 322 . 1 1 50 50 PHE N N 15 119.274 0.2 . 1 . . . . 50 PHE N . 6699 1 323 . 1 1 51 51 GLU H H 1 7.720 0.05 . 1 . . . . 51 GLU H . 6699 1 324 . 1 1 51 51 GLU HA H 1 3.931 0.05 . 1 . . . . 51 GLU HA . 6699 1 325 . 1 1 51 51 GLU C C 13 175.433 0.2 . 1 . . . . 51 GLU C . 6699 1 326 . 1 1 51 51 GLU CA C 13 56.032 0.2 . 1 . . . . 51 GLU CA . 6699 1 327 . 1 1 51 51 GLU CB C 13 26.310 0.2 . 1 . . . . 51 GLU CB . 6699 1 328 . 1 1 51 51 GLU CG C 13 33.496 0.2 . 1 . . . . 51 GLU CG . 6699 1 329 . 1 1 51 51 GLU CD C 13 182.759 0.2 . 1 . . . . 51 GLU CD . 6699 1 330 . 1 1 51 51 GLU N N 15 115.946 0.2 . 1 . . . . 51 GLU N . 6699 1 331 . 1 1 52 52 GLU H H 1 7.637 0.05 . 1 . . . . 52 GLU H . 6699 1 332 . 1 1 52 52 GLU HA H 1 3.817 0.05 . 1 . . . . 52 GLU HA . 6699 1 333 . 1 1 52 52 GLU C C 13 175.325 0.2 . 1 . . . . 52 GLU C . 6699 1 334 . 1 1 52 52 GLU CA C 13 55.743 0.2 . 1 . . . . 52 GLU CA . 6699 1 335 . 1 1 52 52 GLU CB C 13 26.460 0.2 . 1 . . . . 52 GLU CB . 6699 1 336 . 1 1 52 52 GLU CG C 13 32.897 0.2 . 1 . . . . 52 GLU CG . 6699 1 337 . 1 1 52 52 GLU CD C 13 180.242 0.2 . 1 . . . . 52 GLU CD . 6699 1 338 . 1 1 52 52 GLU N N 15 118.231 0.2 . 1 . . . . 52 GLU N . 6699 1 339 . 1 1 53 53 LEU H H 1 7.774 0.05 . 1 . . . . 53 LEU H . 6699 1 340 . 1 1 53 53 LEU HA H 1 4.122 0.05 . 1 . . . . 53 LEU HA . 6699 1 341 . 1 1 53 53 LEU C C 13 176.689 0.2 . 1 . . . . 53 LEU C . 6699 1 342 . 1 1 53 53 LEU CA C 13 52.836 0.2 . 1 . . . . 53 LEU CA . 6699 1 343 . 1 1 53 53 LEU CB C 13 40.574 0.2 . 1 . . . . 53 LEU CB . 6699 1 344 . 1 1 53 53 LEU N N 15 115.348 0.2 . 1 . . . . 53 LEU N . 6699 1 345 . 1 1 54 54 ASP H H 1 8.170 0.05 . 1 . . . . 54 ASP H . 6699 1 346 . 1 1 54 54 ASP HA H 1 4.505 0.05 . 1 . . . . 54 ASP HA . 6699 1 347 . 1 1 54 54 ASP C C 13 174.578 0.2 . 1 . . . . 54 ASP C . 6699 1 348 . 1 1 54 54 ASP CA C 13 49.502 0.2 . 1 . . . . 54 ASP CA . 6699 1 349 . 1 1 54 54 ASP CB C 13 35.674 0.2 . 1 . . . . 54 ASP CB . 6699 1 350 . 1 1 54 54 ASP CG C 13 176.256 0.2 . 1 . . . . 54 ASP CG . 6699 1 351 . 1 1 54 54 ASP N N 15 118.434 0.2 . 1 . . . . 54 ASP N . 6699 1 352 . 1 1 55 55 LYS H H 1 7.508 0.05 . 1 . . . . 55 LYS H . 6699 1 353 . 1 1 55 55 LYS HA H 1 3.985 0.05 . 1 . . . . 55 LYS HA . 6699 1 354 . 1 1 55 55 LYS C C 13 174.400 0.2 . 1 . . . . 55 LYS C . 6699 1 355 . 1 1 55 55 LYS CA C 13 55.849 0.2 . 1 . . . . 55 LYS CA . 6699 1 356 . 1 1 55 55 LYS CB C 13 29.846 0.2 . 1 . . . . 55 LYS CB . 6699 1 357 . 1 1 55 55 LYS N N 15 123.082 0.2 . 1 . . . . 55 LYS N . 6699 1 358 . 1 1 56 56 ASN H H 1 7.743 0.05 . 1 . . . . 56 ASN H . 6699 1 359 . 1 1 56 56 ASN HA H 1 4.804 0.05 . 1 . . . . 56 ASN HA . 6699 1 360 . 1 1 56 56 ASN HD21 H 1 7.686 0.05 . 1 . . . . 56 ASN HD21 . 6699 1 361 . 1 1 56 56 ASN HD22 H 1 8.398 0.05 . 1 . . . . 56 ASN HD22 . 6699 1 362 . 1 1 56 56 ASN C C 13 173.648 0.2 . 1 . . . . 56 ASN C . 6699 1 363 . 1 1 56 56 ASN CA C 13 48.809 0.2 . 1 . . . . 56 ASN CA . 6699 1 364 . 1 1 56 56 ASN CB C 13 39.477 0.2 . 1 . . . . 56 ASN CB . 6699 1 365 . 1 1 56 56 ASN CG C 13 177.051 0.2 . 1 . . . . 56 ASN CG . 6699 1 366 . 1 1 56 56 ASN N N 15 112.044 0.2 . 1 . . . . 56 ASN N . 6699 1 367 . 1 1 56 56 ASN ND2 N 15 120.953 0.2 . 1 . . . . 56 ASN ND2 . 6699 1 368 . 1 1 57 57 GLY H H 1 7.547 0.05 . 1 . . . . 57 GLY H . 6699 1 369 . 1 1 57 57 GLY C C 13 172.071 0.2 . 1 . . . . 57 GLY C . 6699 1 370 . 1 1 57 57 GLY CA C 13 45.274 0.2 . 1 . . . . 57 GLY CA . 6699 1 371 . 1 1 57 57 GLY N N 15 108.560 0.2 . 1 . . . . 57 GLY N . 6699 1 372 . 1 1 58 58 ASP H H 1 7.494 0.05 . 1 . . . . 58 ASP H . 6699 1 373 . 1 1 58 58 ASP HA H 1 4.621 0.05 . 1 . . . . 58 ASP HA . 6699 1 374 . 1 1 58 58 ASP C C 13 174.996 0.2 . 1 . . . . 58 ASP C . 6699 1 375 . 1 1 58 58 ASP CA C 13 50.833 0.2 . 1 . . . . 58 ASP CA . 6699 1 376 . 1 1 58 58 ASP CB C 13 37.847 0.2 . 1 . . . . 58 ASP CB . 6699 1 377 . 1 1 58 58 ASP CG C 13 182.759 0.2 . 1 . . . . 58 ASP CG . 6699 1 378 . 1 1 58 58 ASP N N 15 116.689 0.2 . 1 . . . . 58 ASP N . 6699 1 379 . 1 1 59 59 GLY H H 1 9.785 0.05 . 1 . . . . 59 GLY H . 6699 1 380 . 1 1 59 59 GLY C C 13 170.828 0.2 . 1 . . . . 59 GLY C . 6699 1 381 . 1 1 59 59 GLY CA C 13 42.858 0.2 . 1 . . . . 59 GLY CA . 6699 1 382 . 1 1 59 59 GLY N N 15 111.218 0.2 . 1 . . . . 59 GLY N . 6699 1 383 . 1 1 60 60 GLU H H 1 8.414 0.05 . 1 . . . . 60 GLU H . 6699 1 384 . 1 1 60 60 GLU HA H 1 5.164 0.05 . 1 . . . . 60 GLU HA . 6699 1 385 . 1 1 60 60 GLU C C 13 173.542 0.2 . 1 . . . . 60 GLU C . 6699 1 386 . 1 1 60 60 GLU CA C 13 51.861 0.2 . 1 . . . . 60 GLU CA . 6699 1 387 . 1 1 60 60 GLU CB C 13 31.830 0.2 . 1 . . . . 60 GLU CB . 6699 1 388 . 1 1 60 60 GLU CG C 13 33.501 0.2 . 1 . . . . 60 GLU CG . 6699 1 389 . 1 1 60 60 GLU CD C 13 179.749 0.2 . 1 . . . . 60 GLU CD . 6699 1 390 . 1 1 60 60 GLU N N 15 118.677 0.2 . 1 . . . . 60 GLU N . 6699 1 391 . 1 1 61 61 VAL H H 1 10.045 0.05 . 1 . . . . 61 VAL H . 6699 1 392 . 1 1 61 61 VAL HA H 1 4.777 0.05 . 1 . . . . 61 VAL HA . 6699 1 393 . 1 1 61 61 VAL C C 13 171.465 0.2 . 1 . . . . 61 VAL C . 6699 1 394 . 1 1 61 61 VAL CA C 13 59.044 0.2 . 1 . . . . 61 VAL CA . 6699 1 395 . 1 1 61 61 VAL CB C 13 30.686 0.2 . 1 . . . . 61 VAL CB . 6699 1 396 . 1 1 61 61 VAL N N 15 129.713 0.2 . 1 . . . . 61 VAL N . 6699 1 397 . 1 1 62 62 SER H H 1 9.599 0.05 . 1 . . . . 62 SER H . 6699 1 398 . 1 1 62 62 SER HA H 1 4.780 0.05 . 1 . . . . 62 SER HA . 6699 1 399 . 1 1 62 62 SER C C 13 172.362 0.2 . 1 . . . . 62 SER C . 6699 1 400 . 1 1 62 62 SER CA C 13 54.378 0.2 . 1 . . . . 62 SER CA . 6699 1 401 . 1 1 62 62 SER CB C 13 63.836 0.2 . 1 . . . . 62 SER CB . 6699 1 402 . 1 1 62 62 SER N N 15 126.811 0.2 . 1 . . . . 62 SER N . 6699 1 403 . 1 1 63 63 PHE H H 1 9.479 0.05 . 1 . . . . 63 PHE H . 6699 1 404 . 1 1 63 63 PHE HA H 1 3.151 0.05 . 1 . . . . 63 PHE HA . 6699 1 405 . 1 1 63 63 PHE C C 13 174.736 0.2 . 1 . . . . 63 PHE C . 6699 1 406 . 1 1 63 63 PHE CA C 13 58.837 0.2 . 1 . . . . 63 PHE CA . 6699 1 407 . 1 1 63 63 PHE N N 15 123.123 0.2 . 1 . . . . 63 PHE N . 6699 1 408 . 1 1 64 64 GLU H H 1 8.370 0.05 . 1 . . . . 64 GLU H . 6699 1 409 . 1 1 64 64 GLU HA H 1 3.738 0.05 . 1 . . . . 64 GLU HA . 6699 1 410 . 1 1 64 64 GLU C C 13 177.674 0.2 . 1 . . . . 64 GLU C . 6699 1 411 . 1 1 64 64 GLU CA C 13 57.162 0.2 . 1 . . . . 64 GLU CA . 6699 1 412 . 1 1 64 64 GLU CB C 13 26.443 0.2 . 1 . . . . 64 GLU CB . 6699 1 413 . 1 1 64 64 GLU CG C 13 33.040 0.2 . 1 . . . . 64 GLU CG . 6699 1 414 . 1 1 64 64 GLU CD C 13 180.791 0.2 . 1 . . . . 64 GLU CD . 6699 1 415 . 1 1 64 64 GLU N N 15 118.063 0.2 . 1 . . . . 64 GLU N . 6699 1 416 . 1 1 65 65 GLU H H 1 7.869 0.05 . 1 . . . . 65 GLU H . 6699 1 417 . 1 1 65 65 GLU HA H 1 4.008 0.05 . 1 . . . . 65 GLU HA . 6699 1 418 . 1 1 65 65 GLU C C 13 176.392 0.2 . 1 . . . . 65 GLU C . 6699 1 419 . 1 1 65 65 GLU CA C 13 55.658 0.2 . 1 . . . . 65 GLU CA . 6699 1 420 . 1 1 65 65 GLU CB C 13 26.667 0.2 . 1 . . . . 65 GLU CB . 6699 1 421 . 1 1 65 65 GLU CG C 13 35.896 0.2 . 1 . . . . 65 GLU CG . 6699 1 422 . 1 1 65 65 GLU CD C 13 188.007 0.2 . 1 . . . . 65 GLU CD . 6699 1 423 . 1 1 65 65 GLU N N 15 120.177 0.2 . 1 . . . . 65 GLU N . 6699 1 424 . 1 1 66 66 PHE H H 1 8.738 0.05 . 1 . . . . 66 PHE H . 6699 1 425 . 1 1 66 66 PHE HA H 1 3.898 0.05 . 1 . . . . 66 PHE HA . 6699 1 426 . 1 1 66 66 PHE C C 13 173.680 0.2 . 1 . . . . 66 PHE C . 6699 1 427 . 1 1 66 66 PHE CA C 13 57.236 0.2 . 1 . . . . 66 PHE CA . 6699 1 428 . 1 1 66 66 PHE CB C 13 36.130 0.2 . 1 . . . . 66 PHE CB . 6699 1 429 . 1 1 66 66 PHE N N 15 119.787 0.2 . 1 . . . . 66 PHE N . 6699 1 430 . 1 1 67 67 GLN H H 1 7.530 0.05 . 1 . . . . 67 GLN H . 6699 1 431 . 1 1 67 67 GLN HA H 1 3.369 0.05 . 1 . . . . 67 GLN HA . 6699 1 432 . 1 1 67 67 GLN HE21 H 1 5.888 0.05 . 1 . . . . 67 GLN HE21 . 6699 1 433 . 1 1 67 67 GLN HE22 H 1 6.093 0.05 . 1 . . . . 67 GLN HE22 . 6699 1 434 . 1 1 67 67 GLN C C 13 174.534 0.2 . 1 . . . . 67 GLN C . 6699 1 435 . 1 1 67 67 GLN CA C 13 55.214 0.2 . 1 . . . . 67 GLN CA . 6699 1 436 . 1 1 67 67 GLN CB C 13 25.024 0.2 . 1 . . . . 67 GLN CB . 6699 1 437 . 1 1 67 67 GLN CG C 13 30.684 0.2 . 1 . . . . 67 GLN CG . 6699 1 438 . 1 1 67 67 GLN CD C 13 176.591 0.2 . 1 . . . . 67 GLN CD . 6699 1 439 . 1 1 67 67 GLN N N 15 115.288 0.2 . 1 . . . . 67 GLN N . 6699 1 440 . 1 1 67 67 GLN NE2 N 15 111.487 0.2 . 1 . . . . 67 GLN NE2 . 6699 1 441 . 1 1 68 68 VAL H H 1 6.924 0.05 . 1 . . . . 68 VAL H . 6699 1 442 . 1 1 68 68 VAL HA H 1 3.521 0.05 . 1 . . . . 68 VAL HA . 6699 1 443 . 1 1 68 68 VAL C C 13 175.041 0.2 . 1 . . . . 68 VAL C . 6699 1 444 . 1 1 68 68 VAL CA C 13 62.508 0.2 . 1 . . . . 68 VAL CA . 6699 1 445 . 1 1 68 68 VAL CB C 13 30.261 0.2 . 1 . . . . 68 VAL CB . 6699 1 446 . 1 1 68 68 VAL N N 15 117.132 0.2 . 1 . . . . 68 VAL N . 6699 1 447 . 1 1 69 69 LEU H H 1 7.173 0.05 . 1 . . . . 69 LEU H . 6699 1 448 . 1 1 69 69 LEU HA H 1 3.690 0.05 . 1 . . . . 69 LEU HA . 6699 1 449 . 1 1 69 69 LEU C C 13 175.112 0.2 . 1 . . . . 69 LEU C . 6699 1 450 . 1 1 69 69 LEU CA C 13 54.006 0.2 . 1 . . . . 69 LEU CA . 6699 1 451 . 1 1 69 69 LEU CB C 13 38.581 0.2 . 1 . . . . 69 LEU CB . 6699 1 452 . 1 1 69 69 LEU N N 15 120.366 0.2 . 1 . . . . 69 LEU N . 6699 1 453 . 1 1 70 70 VAL H H 1 6.888 0.05 . 1 . . . . 70 VAL H . 6699 1 454 . 1 1 70 70 VAL HA H 1 3.094 0.05 . 1 . . . . 70 VAL HA . 6699 1 455 . 1 1 70 70 VAL C C 13 174.854 0.2 . 1 . . . . 70 VAL C . 6699 1 456 . 1 1 70 70 VAL CA C 13 63.092 0.2 . 1 . . . . 70 VAL CA . 6699 1 457 . 1 1 70 70 VAL CB C 13 28.277 0.2 . 1 . . . . 70 VAL CB . 6699 1 458 . 1 1 70 70 VAL N N 15 115.643 0.2 . 1 . . . . 70 VAL N . 6699 1 459 . 1 1 71 71 LYS H H 1 7.336 0.05 . 1 . . . . 71 LYS H . 6699 1 460 . 1 1 71 71 LYS HA H 1 3.922 0.05 . 1 . . . . 71 LYS HA . 6699 1 461 . 1 1 71 71 LYS C C 13 175.153 0.2 . 1 . . . . 71 LYS C . 6699 1 462 . 1 1 71 71 LYS CA C 13 55.701 0.2 . 1 . . . . 71 LYS CA . 6699 1 463 . 1 1 71 71 LYS CB C 13 29.201 0.2 . 1 . . . . 71 LYS CB . 6699 1 464 . 1 1 71 71 LYS N N 15 118.003 0.2 . 1 . . . . 71 LYS N . 6699 1 465 . 1 1 72 72 LYS H H 1 7.402 0.05 . 1 . . . . 72 LYS H . 6699 1 466 . 1 1 72 72 LYS HA H 1 4.054 0.05 . 1 . . . . 72 LYS HA . 6699 1 467 . 1 1 72 72 LYS C C 13 175.015 0.2 . 1 . . . . 72 LYS C . 6699 1 468 . 1 1 72 72 LYS CA C 13 54.898 0.2 . 1 . . . . 72 LYS CA . 6699 1 469 . 1 1 72 72 LYS N N 15 116.850 0.2 . 1 . . . . 72 LYS N . 6699 1 470 . 1 1 73 73 ILE H H 1 7.293 0.05 . 1 . . . . 73 ILE H . 6699 1 471 . 1 1 73 73 ILE HA H 1 3.952 0.05 . 1 . . . . 73 ILE HA . 6699 1 472 . 1 1 73 73 ILE C C 13 173.361 0.2 . 1 . . . . 73 ILE C . 6699 1 473 . 1 1 73 73 ILE CA C 13 59.271 0.2 . 1 . . . . 73 ILE CA . 6699 1 474 . 1 1 73 73 ILE CB C 13 35.360 0.2 . 1 . . . . 73 ILE CB . 6699 1 475 . 1 1 73 73 ILE N N 15 114.369 0.2 . 1 . . . . 73 ILE N . 6699 1 476 . 1 1 74 74 SER H H 1 7.712 0.05 . 1 . . . . 74 SER H . 6699 1 477 . 1 1 74 74 SER HA H 1 4.419 0.05 . 1 . . . . 74 SER HA . 6699 1 478 . 1 1 74 74 SER C C 13 170.577 0.2 . 1 . . . . 74 SER C . 6699 1 479 . 1 1 74 74 SER CA C 13 55.787 0.2 . 1 . . . . 74 SER CA . 6699 1 480 . 1 1 74 74 SER CB C 13 60.995 0.2 . 1 . . . . 74 SER CB . 6699 1 481 . 1 1 74 74 SER N N 15 117.346 0.2 . 1 . . . . 74 SER N . 6699 1 482 . 1 1 75 75 GLN H H 1 7.605 0.05 . 1 . . . . 75 GLN H . 6699 1 483 . 1 1 75 75 GLN HA H 1 3.648 0.05 . 1 . . . . 75 GLN HA . 6699 1 484 . 1 1 75 75 GLN HE21 H 1 6.718 0.05 . 1 . . . . 75 GLN HE21 . 6699 1 485 . 1 1 75 75 GLN HE22 H 1 7.439 0.05 . 1 . . . . 75 GLN HE22 . 6699 1 486 . 1 1 75 75 GLN C C 13 177.615 0.2 . 1 . . . . 75 GLN C . 6699 1 487 . 1 1 75 75 GLN CA C 13 54.875 0.2 . 1 . . . . 75 GLN CA . 6699 1 488 . 1 1 75 75 GLN CB C 13 27.423 0.2 . 1 . . . . 75 GLN CB . 6699 1 489 . 1 1 75 75 GLN CG C 13 31.912 0.2 . 1 . . . . 75 GLN CG . 6699 1 490 . 1 1 75 75 GLN CD C 13 178.229 0.2 . 1 . . . . 75 GLN CD . 6699 1 491 . 1 1 75 75 GLN N N 15 126.189 0.2 . 1 . . . . 75 GLN N . 6699 1 492 . 1 1 75 75 GLN NE2 N 15 112.070 0.2 . 1 . . . . 75 GLN NE2 . 6699 1 stop_ save_