################################### # 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 19507 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 19507 1 3 '3D HNCO' 1 $sample_1 isotropic 19507 1 6 'Pseudo 5D HN(C)N' 1 $sample_1 isotropic 19507 1 7 '3D CBCA(CO)NH' 1 $sample_1 isotropic 19507 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 3 3 GLU H H 1 8.571 0.020 . 1 . . . . 3 GLU H . 19507 1 2 . 1 1 3 3 GLU C C 13 175.992 0.3 . 1 . . . . 3 GLU C . 19507 1 3 . 1 1 3 3 GLU CA C 13 55.948 0.3 . 1 . . . . 3 GLU CA . 19507 1 4 . 1 1 3 3 GLU CB C 13 30.071 0.3 . 1 . . . . 3 GLU CB . 19507 1 5 . 1 1 3 3 GLU N N 15 120.464 0.3 . 1 . . . . 3 GLU N . 19507 1 6 . 1 1 4 4 MET H H 1 8.491 0.020 . 1 . . . . 4 MET H . 19507 1 7 . 1 1 4 4 MET C C 13 175.831 0.3 . 1 . . . . 4 MET C . 19507 1 8 . 1 1 4 4 MET CA C 13 55.021 0.3 . 1 . . . . 4 MET CA . 19507 1 9 . 1 1 4 4 MET CB C 13 32.528 0.3 . 1 . . . . 4 MET CB . 19507 1 10 . 1 1 4 4 MET N N 15 122.823 0.3 . 1 . . . . 4 MET N . 19507 1 11 . 1 1 5 5 LYS H H 1 8.399 0.020 . 1 . . . . 5 LYS H . 19507 1 12 . 1 1 5 5 LYS C C 13 176.473 0.3 . 1 . . . . 5 LYS C . 19507 1 13 . 1 1 5 5 LYS CA C 13 55.869 0.3 . 1 . . . . 5 LYS CA . 19507 1 14 . 1 1 5 5 LYS CB C 13 32.825 0.3 . 1 . . . . 5 LYS CB . 19507 1 15 . 1 1 5 5 LYS N N 15 123.841 0.3 . 1 . . . . 5 LYS N . 19507 1 16 . 1 1 6 6 THR H H 1 8.127 0.020 . 1 . . . . 6 THR H . 19507 1 17 . 1 1 6 6 THR C C 13 173.962 0.3 . 1 . . . . 6 THR C . 19507 1 18 . 1 1 6 6 THR CA C 13 61.409 0.3 . 1 . . . . 6 THR CA . 19507 1 19 . 1 1 6 6 THR CB C 13 69.624 0.3 . 1 . . . . 6 THR CB . 19507 1 20 . 1 1 6 6 THR N N 15 115.695 0.3 . 1 . . . . 6 THR N . 19507 1 21 . 1 1 7 7 ASP H H 1 8.264 0.020 . 1 . . . . 7 ASP H . 19507 1 22 . 1 1 7 7 ASP C C 13 175.956 0.3 . 1 . . . . 7 ASP C . 19507 1 23 . 1 1 7 7 ASP CA C 13 53.970 0.3 . 1 . . . . 7 ASP CA . 19507 1 24 . 1 1 7 7 ASP CB C 13 40.912 0.3 . 1 . . . . 7 ASP CB . 19507 1 25 . 1 1 7 7 ASP N N 15 122.784 0.3 . 1 . . . . 7 ASP N . 19507 1 26 . 1 1 8 8 ALA H H 1 8.207 0.020 . 1 . . . . 8 ALA H . 19507 1 27 . 1 1 8 8 ALA C C 13 178.271 0.3 . 1 . . . . 8 ALA C . 19507 1 28 . 1 1 8 8 ALA CA C 13 53.251 0.3 . 1 . . . . 8 ALA CA . 19507 1 29 . 1 1 8 8 ALA CB C 13 18.752 0.3 . 1 . . . . 8 ALA CB . 19507 1 30 . 1 1 8 8 ALA N N 15 124.344 0.3 . 1 . . . . 8 ALA N . 19507 1 31 . 1 1 9 9 ALA H H 1 8.184 0.020 . 1 . . . . 9 ALA H . 19507 1 32 . 1 1 9 9 ALA C C 13 178.699 0.3 . 1 . . . . 9 ALA C . 19507 1 33 . 1 1 9 9 ALA CA C 13 53.159 0.3 . 1 . . . . 9 ALA CA . 19507 1 34 . 1 1 9 9 ALA CB C 13 18.561 0.3 . 1 . . . . 9 ALA CB . 19507 1 35 . 1 1 9 9 ALA N N 15 122.031 0.3 . 1 . . . . 9 ALA N . 19507 1 36 . 1 1 10 10 THR H H 1 7.862 0.020 . 1 . . . . 10 THR H . 19507 1 37 . 1 1 10 10 THR C C 13 175.066 0.3 . 1 . . . . 10 THR C . 19507 1 38 . 1 1 10 10 THR CA C 13 62.998 0.3 . 1 . . . . 10 THR CA . 19507 1 39 . 1 1 10 10 THR CB C 13 69.104 0.3 . 1 . . . . 10 THR CB . 19507 1 40 . 1 1 10 10 THR N N 15 114.249 0.3 . 1 . . . . 10 THR N . 19507 1 41 . 1 1 11 11 LEU H H 1 7.962 0.020 . 1 . . . . 11 LEU H . 19507 1 42 . 1 1 11 11 LEU C C 13 177.648 0.3 . 1 . . . . 11 LEU C . 19507 1 43 . 1 1 11 11 LEU CA C 13 55.647 0.3 . 1 . . . . 11 LEU CA . 19507 1 44 . 1 1 11 11 LEU CB C 13 41.728 0.3 . 1 . . . . 11 LEU CB . 19507 1 45 . 1 1 11 11 LEU N N 15 123.777 0.3 . 1 . . . . 11 LEU N . 19507 1 46 . 1 1 12 12 ALA H H 1 8.002 0.020 . 1 . . . . 12 ALA H . 19507 1 47 . 1 1 12 12 ALA C C 13 178.164 0.3 . 1 . . . . 12 ALA C . 19507 1 48 . 1 1 12 12 ALA CA C 13 52.822 0.3 . 1 . . . . 12 ALA CA . 19507 1 49 . 1 1 12 12 ALA CB C 13 18.506 0.3 . 1 . . . . 12 ALA CB . 19507 1 50 . 1 1 12 12 ALA N N 15 123.705 0.3 . 1 . . . . 12 ALA N . 19507 1 51 . 1 1 13 13 GLN H H 1 8.006 0.020 . 1 . . . . 13 GLN H . 19507 1 52 . 1 1 13 13 GLN C C 13 176.473 0.3 . 1 . . . . 13 GLN C . 19507 1 53 . 1 1 13 13 GLN CA C 13 56.146 0.3 . 1 . . . . 13 GLN CA . 19507 1 54 . 1 1 13 13 GLN CB C 13 29.041 0.3 . 1 . . . . 13 GLN CB . 19507 1 55 . 1 1 13 13 GLN N N 15 118.982 0.3 . 1 . . . . 13 GLN N . 19507 1 56 . 1 1 14 14 GLU H H 1 8.171 0.020 . 1 . . . . 14 GLU H . 19507 1 57 . 1 1 14 14 GLU C C 13 176.508 0.3 . 1 . . . . 14 GLU C . 19507 1 58 . 1 1 14 14 GLU CA C 13 56.630 0.3 . 1 . . . . 14 GLU CA . 19507 1 59 . 1 1 14 14 GLU CB C 13 29.635 0.3 . 1 . . . . 14 GLU CB . 19507 1 60 . 1 1 14 14 GLU N N 15 121.377 0.3 . 1 . . . . 14 GLU N . 19507 1 61 . 1 1 15 15 ALA H H 1 8.110 0.020 . 1 . . . . 15 ALA H . 19507 1 62 . 1 1 15 15 ALA C C 13 178.307 0.3 . 1 . . . . 15 ALA C . 19507 1 63 . 1 1 15 15 ALA CA C 13 52.817 0.3 . 1 . . . . 15 ALA CA . 19507 1 64 . 1 1 15 15 ALA CB C 13 18.707 0.3 . 1 . . . . 15 ALA CB . 19507 1 65 . 1 1 15 15 ALA N N 15 124.189 0.3 . 1 . . . . 15 ALA N . 19507 1 66 . 1 1 16 16 GLY H H 1 8.113 0.020 . 1 . . . . 16 GLY H . 19507 1 67 . 1 1 16 16 GLY C C 13 173.694 0.3 . 1 . . . . 16 GLY C . 19507 1 68 . 1 1 16 16 GLY CA C 13 45.067 0.3 . 1 . . . . 16 GLY CA . 19507 1 69 . 1 1 16 16 GLY N N 15 107.136 0.3 . 1 . . . . 16 GLY N . 19507 1 70 . 1 1 17 17 ASN H H 1 7.966 0.020 . 1 . . . . 17 ASN H . 19507 1 71 . 1 1 17 17 ASN C C 13 174.941 0.3 . 1 . . . . 17 ASN C . 19507 1 72 . 1 1 17 17 ASN CA C 13 52.922 0.3 . 1 . . . . 17 ASN CA . 19507 1 73 . 1 1 17 17 ASN CB C 13 38.293 0.3 . 1 . . . . 17 ASN CB . 19507 1 74 . 1 1 17 17 ASN N N 15 118.357 0.3 . 1 . . . . 17 ASN N . 19507 1 75 . 1 1 18 18 PHE H H 1 8.017 0.020 . 1 . . . . 18 PHE H . 19507 1 76 . 1 1 18 18 PHE C C 13 175.653 0.3 . 1 . . . . 18 PHE C . 19507 1 77 . 1 1 18 18 PHE CA C 13 57.768 0.3 . 1 . . . . 18 PHE CA . 19507 1 78 . 1 1 18 18 PHE CB C 13 39.035 0.3 . 1 . . . . 18 PHE CB . 19507 1 79 . 1 1 18 18 PHE N N 15 120.350 0.3 . 1 . . . . 18 PHE N . 19507 1 80 . 1 1 19 19 GLU H H 1 8.193 0.020 . 1 . . . . 19 GLU H . 19507 1 81 . 1 1 19 19 GLU C C 13 176.081 0.3 . 1 . . . . 19 GLU C . 19507 1 82 . 1 1 19 19 GLU CA C 13 56.591 0.3 . 1 . . . . 19 GLU CA . 19507 1 83 . 1 1 19 19 GLU CB C 13 29.632 0.3 . 1 . . . . 19 GLU CB . 19507 1 84 . 1 1 19 19 GLU N N 15 121.750 0.3 . 1 . . . . 19 GLU N . 19507 1 85 . 1 1 20 20 ARG H H 1 8.109 0.020 . 1 . . . . 20 ARG H . 19507 1 86 . 1 1 20 20 ARG C C 13 176.223 0.3 . 1 . . . . 20 ARG C . 19507 1 87 . 1 1 20 20 ARG CA C 13 55.947 0.3 . 1 . . . . 20 ARG CA . 19507 1 88 . 1 1 20 20 ARG CB C 13 30.058 0.3 . 1 . . . . 20 ARG CB . 19507 1 89 . 1 1 20 20 ARG N N 15 121.966 0.3 . 1 . . . . 20 ARG N . 19507 1 90 . 1 1 21 21 ILE H H 1 8.099 0.020 . 1 . . . . 21 ILE H . 19507 1 91 . 1 1 21 21 ILE C C 13 176.294 0.3 . 1 . . . . 21 ILE C . 19507 1 92 . 1 1 21 21 ILE CA C 13 61.013 0.3 . 1 . . . . 21 ILE CA . 19507 1 93 . 1 1 21 21 ILE CB C 13 38.241 0.3 . 1 . . . . 21 ILE CB . 19507 1 94 . 1 1 21 21 ILE N N 15 121.910 0.3 . 1 . . . . 21 ILE N . 19507 1 95 . 1 1 22 22 SER H H 1 8.242 0.020 . 1 . . . . 22 SER H . 19507 1 96 . 1 1 22 22 SER C C 13 174.941 0.3 . 1 . . . . 22 SER C . 19507 1 97 . 1 1 22 22 SER CA C 13 58.272 0.3 . 1 . . . . 22 SER CA . 19507 1 98 . 1 1 22 22 SER CB C 13 63.614 0.3 . 1 . . . . 22 SER CB . 19507 1 99 . 1 1 22 22 SER N N 15 119.510 0.3 . 1 . . . . 22 SER N . 19507 1 100 . 1 1 23 23 GLY H H 1 8.253 0.020 . 1 . . . . 23 GLY H . 19507 1 101 . 1 1 23 23 GLY C C 13 173.677 0.3 . 1 . . . . 23 GLY C . 19507 1 102 . 1 1 23 23 GLY CA C 13 45.110 0.3 . 1 . . . . 23 GLY CA . 19507 1 103 . 1 1 23 23 GLY N N 15 111.058 0.3 . 1 . . . . 23 GLY N . 19507 1 104 . 1 1 24 24 ASP H H 1 8.067 0.020 . 1 . . . . 24 ASP H . 19507 1 105 . 1 1 24 24 ASP C C 13 176.205 0.3 . 1 . . . . 24 ASP C . 19507 1 106 . 1 1 24 24 ASP CA C 13 54.086 0.3 . 1 . . . . 24 ASP CA . 19507 1 107 . 1 1 24 24 ASP CB C 13 40.838 0.3 . 1 . . . . 24 ASP CB . 19507 1 108 . 1 1 24 24 ASP N N 15 120.151 0.3 . 1 . . . . 24 ASP N . 19507 1 109 . 1 1 25 25 LEU H H 1 8.043 0.020 . 1 . . . . 25 LEU H . 19507 1 110 . 1 1 25 25 LEU C C 13 177.452 0.3 . 1 . . . . 25 LEU C . 19507 1 111 . 1 1 25 25 LEU CA C 13 55.291 0.3 . 1 . . . . 25 LEU CA . 19507 1 112 . 1 1 25 25 LEU CB C 13 41.802 0.3 . 1 . . . . 25 LEU CB . 19507 1 113 . 1 1 25 25 LEU N N 15 122.344 0.3 . 1 . . . . 25 LEU N . 19507 1 114 . 1 1 26 26 LYS H H 1 8.166 0.020 . 1 . . . . 26 LYS H . 19507 1 115 . 1 1 26 26 LYS C C 13 176.757 0.3 . 1 . . . . 26 LYS C . 19507 1 116 . 1 1 26 26 LYS CA C 13 56.423 0.3 . 1 . . . . 26 LYS CA . 19507 1 117 . 1 1 26 26 LYS CB C 13 32.380 0.3 . 1 . . . . 26 LYS CB . 19507 1 118 . 1 1 26 26 LYS N N 15 121.539 0.3 . 1 . . . . 26 LYS N . 19507 1 119 . 1 1 27 27 THR H H 1 7.935 0.020 . 1 . . . . 27 THR H . 19507 1 120 . 1 1 27 27 THR C C 13 174.318 0.3 . 1 . . . . 27 THR C . 19507 1 121 . 1 1 27 27 THR CA C 13 62.042 0.3 . 1 . . . . 27 THR CA . 19507 1 122 . 1 1 27 27 THR CB C 13 69.327 0.3 . 1 . . . . 27 THR CB . 19507 1 123 . 1 1 27 27 THR N N 15 114.720 0.3 . 1 . . . . 27 THR N . 19507 1 124 . 1 1 28 28 GLN H H 1 8.162 0.020 . 1 . . . . 28 GLN H . 19507 1 125 . 1 1 28 28 GLN C C 13 175.796 0.3 . 1 . . . . 28 GLN C . 19507 1 126 . 1 1 28 28 GLN CA C 13 55.608 0.3 . 1 . . . . 28 GLN CA . 19507 1 127 . 1 1 28 28 GLN CB C 13 28.967 0.3 . 1 . . . . 28 GLN CB . 19507 1 128 . 1 1 28 28 GLN N N 15 122.758 0.3 . 1 . . . . 28 GLN N . 19507 1 129 . 1 1 29 29 ILE H H 1 8.056 0.020 . 1 . . . . 29 ILE H . 19507 1 130 . 1 1 29 29 ILE C C 13 175.831 0.3 . 1 . . . . 29 ILE C . 19507 1 131 . 1 1 29 29 ILE CA C 13 61.171 0.3 . 1 . . . . 29 ILE CA . 19507 1 132 . 1 1 29 29 ILE CB C 13 38.315 0.3 . 1 . . . . 29 ILE CB . 19507 1 133 . 1 1 29 29 ILE N N 15 121.962 0.3 . 1 . . . . 29 ILE N . 19507 1 134 . 1 1 30 30 ASP H H 1 8.240 0.020 . 1 . . . . 30 ASP H . 19507 1 135 . 1 1 30 30 ASP C C 13 175.956 0.3 . 1 . . . . 30 ASP C . 19507 1 136 . 1 1 30 30 ASP CA C 13 54.308 0.3 . 1 . . . . 30 ASP CA . 19507 1 137 . 1 1 30 30 ASP CB C 13 40.615 0.3 . 1 . . . . 30 ASP CB . 19507 1 138 . 1 1 30 30 ASP N N 15 123.506 0.3 . 1 . . . . 30 ASP N . 19507 1 139 . 1 1 31 31 GLN H H 1 8.110 0.020 . 1 . . . . 31 GLN H . 19507 1 140 . 1 1 31 31 GLN C C 13 175.849 0.3 . 1 . . . . 31 GLN C . 19507 1 141 . 1 1 31 31 GLN CA C 13 55.577 0.3 . 1 . . . . 31 GLN CA . 19507 1 142 . 1 1 31 31 GLN CB C 13 29.041 0.3 . 1 . . . . 31 GLN CB . 19507 1 143 . 1 1 31 31 GLN N N 15 120.490 0.3 . 1 . . . . 31 GLN N . 19507 1 144 . 1 1 32 32 VAL H H 1 8.028 0.020 . 1 . . . . 32 VAL H . 19507 1 145 . 1 1 32 32 VAL C C 13 176.223 0.3 . 1 . . . . 32 VAL C . 19507 1 146 . 1 1 32 32 VAL CA C 13 62.475 0.3 . 1 . . . . 32 VAL CA . 19507 1 147 . 1 1 32 32 VAL CB C 13 32.232 0.3 . 1 . . . . 32 VAL CB . 19507 1 148 . 1 1 32 32 VAL N N 15 121.457 0.3 . 1 . . . . 32 VAL N . 19507 1 149 . 1 1 33 33 GLU H H 1 8.398 0.020 . 1 . . . . 33 GLU H . 19507 1 150 . 1 1 33 33 GLU C C 13 176.597 0.3 . 1 . . . . 33 GLU C . 19507 1 151 . 1 1 33 33 GLU CA C 13 56.492 0.3 . 1 . . . . 33 GLU CA . 19507 1 152 . 1 1 33 33 GLU CB C 13 29.857 0.3 . 1 . . . . 33 GLU CB . 19507 1 153 . 1 1 33 33 GLU N N 15 124.383 0.3 . 1 . . . . 33 GLU N . 19507 1 154 . 1 1 34 34 SER H H 1 8.286 0.020 . 1 . . . . 34 SER H . 19507 1 155 . 1 1 34 34 SER C C 13 174.977 0.3 . 1 . . . . 34 SER C . 19507 1 156 . 1 1 34 34 SER CA C 13 58.243 0.3 . 1 . . . . 34 SER CA . 19507 1 157 . 1 1 34 34 SER CB C 13 63.466 0.3 . 1 . . . . 34 SER CB . 19507 1 158 . 1 1 34 34 SER N N 15 117.061 0.3 . 1 . . . . 34 SER N . 19507 1 159 . 1 1 35 35 THR H H 1 8.066 0.020 . 1 . . . . 35 THR H . 19507 1 160 . 1 1 35 35 THR C C 13 174.603 0.3 . 1 . . . . 35 THR C . 19507 1 161 . 1 1 35 35 THR CA C 13 61.804 0.3 . 1 . . . . 35 THR CA . 19507 1 162 . 1 1 35 35 THR CB C 13 69.401 0.3 . 1 . . . . 35 THR CB . 19507 1 163 . 1 1 35 35 THR N N 15 115.664 0.3 . 1 . . . . 35 THR N . 19507 1 164 . 1 1 36 36 ALA H H 1 8.150 0.020 . 1 . . . . 36 ALA H . 19507 1 165 . 1 1 36 36 ALA C C 13 178.146 0.3 . 1 . . . . 36 ALA C . 19507 1 166 . 1 1 36 36 ALA CA C 13 52.976 0.3 . 1 . . . . 36 ALA CA . 19507 1 167 . 1 1 36 36 ALA CB C 13 18.655 0.3 . 1 . . . . 36 ALA CB . 19507 1 168 . 1 1 36 36 ALA N N 15 126.071 0.3 . 1 . . . . 36 ALA N . 19507 1 169 . 1 1 37 37 GLY H H 1 8.233 0.020 . 1 . . . . 37 GLY H . 19507 1 170 . 1 1 37 37 GLY C C 13 174.300 0.3 . 1 . . . . 37 GLY C . 19507 1 171 . 1 1 37 37 GLY CA C 13 45.036 0.3 . 1 . . . . 37 GLY CA . 19507 1 172 . 1 1 37 37 GLY N N 15 107.903 0.3 . 1 . . . . 37 GLY N . 19507 1 173 . 1 1 38 38 SER H H 1 7.967 0.020 . 1 . . . . 38 SER H . 19507 1 174 . 1 1 38 38 SER C C 13 174.816 0.3 . 1 . . . . 38 SER C . 19507 1 175 . 1 1 38 38 SER CA C 13 58.305 0.3 . 1 . . . . 38 SER CA . 19507 1 176 . 1 1 38 38 SER CB C 13 63.614 0.3 . 1 . . . . 38 SER CB . 19507 1 177 . 1 1 38 38 SER N N 15 115.330 0.3 . 1 . . . . 38 SER N . 19507 1 178 . 1 1 39 39 LEU H H 1 8.184 0.020 . 1 . . . . 39 LEU H . 19507 1 179 . 1 1 39 39 LEU C C 13 176.989 0.3 . 1 . . . . 39 LEU C . 19507 1 180 . 1 1 39 39 LEU CA C 13 55.228 0.3 . 1 . . . . 39 LEU CA . 19507 1 181 . 1 1 39 39 LEU CB C 13 41.505 0.3 . 1 . . . . 39 LEU CB . 19507 1 182 . 1 1 39 39 LEU N N 15 123.661 0.3 . 1 . . . . 39 LEU N . 19507 1 183 . 1 1 40 40 GLN H H 1 8.149 0.020 . 1 . . . . 40 GLN H . 19507 1 184 . 1 1 40 40 GLN C C 13 176.526 0.3 . 1 . . . . 40 GLN C . 19507 1 185 . 1 1 40 40 GLN CA C 13 55.989 0.3 . 1 . . . . 40 GLN CA . 19507 1 186 . 1 1 40 40 GLN CB C 13 28.670 0.3 . 1 . . . . 40 GLN CB . 19507 1 187 . 1 1 40 40 GLN N N 15 120.081 0.3 . 1 . . . . 40 GLN N . 19507 1 188 . 1 1 41 41 GLY H H 1 8.210 0.020 . 1 . . . . 41 GLY H . 19507 1 189 . 1 1 41 41 GLY C C 13 174.140 0.3 . 1 . . . . 41 GLY C . 19507 1 190 . 1 1 41 41 GLY CA C 13 45.185 0.3 . 1 . . . . 41 GLY CA . 19507 1 191 . 1 1 41 41 GLY N N 15 109.378 0.3 . 1 . . . . 41 GLY N . 19507 1 192 . 1 1 42 42 GLN H H 1 8.016 0.020 . 1 . . . . 42 GLN H . 19507 1 193 . 1 1 42 42 GLN C C 13 175.671 0.3 . 1 . . . . 42 GLN C . 19507 1 194 . 1 1 42 42 GLN CA C 13 55.735 0.3 . 1 . . . . 42 GLN CA . 19507 1 195 . 1 1 42 42 GLN CB C 13 28.797 0.3 . 1 . . . . 42 GLN CB . 19507 1 196 . 1 1 42 42 GLN N N 15 119.639 0.3 . 1 . . . . 42 GLN N . 19507 1 197 . 1 1 43 43 TRP H H 1 8.084 0.020 . 1 . . . . 43 TRP H . 19507 1 198 . 1 1 43 43 TRP C C 13 176.205 0.3 . 1 . . . . 43 TRP C . 19507 1 199 . 1 1 43 43 TRP CA C 13 57.226 0.3 . 1 . . . . 43 TRP CA . 19507 1 200 . 1 1 43 43 TRP CB C 13 29.016 0.3 . 1 . . . . 43 TRP CB . 19507 1 201 . 1 1 43 43 TRP N N 15 122.027 0.3 . 1 . . . . 43 TRP N . 19507 1 202 . 1 1 44 44 ARG H H 1 7.933 0.020 . 1 . . . . 44 ARG H . 19507 1 203 . 1 1 44 44 ARG C C 13 176.081 0.3 . 1 . . . . 44 ARG C . 19507 1 204 . 1 1 44 44 ARG CA C 13 55.735 0.3 . 1 . . . . 44 ARG CA . 19507 1 205 . 1 1 44 44 ARG CB C 13 30.228 0.3 . 1 . . . . 44 ARG CB . 19507 1 206 . 1 1 44 44 ARG N N 15 123.514 0.3 . 1 . . . . 44 ARG N . 19507 1 207 . 1 1 45 45 GLY H H 1 7.249 0.020 . 1 . . . . 45 GLY H . 19507 1 208 . 1 1 45 45 GLY C C 13 173.445 0.3 . 1 . . . . 45 GLY C . 19507 1 209 . 1 1 45 45 GLY CA C 13 44.621 0.3 . 1 . . . . 45 GLY CA . 19507 1 210 . 1 1 45 45 GLY N N 15 108.292 0.3 . 1 . . . . 45 GLY N . 19507 1 211 . 1 1 46 46 ALA H H 1 8.000 0.020 . 1 . . . . 46 ALA H . 19507 1 212 . 1 1 46 46 ALA C C 13 177.612 0.3 . 1 . . . . 46 ALA C . 19507 1 213 . 1 1 46 46 ALA CA C 13 52.310 0.3 . 1 . . . . 46 ALA CA . 19507 1 214 . 1 1 46 46 ALA CB C 13 18.951 0.3 . 1 . . . . 46 ALA CB . 19507 1 215 . 1 1 46 46 ALA N N 15 123.531 0.3 . 1 . . . . 46 ALA N . 19507 1 216 . 1 1 47 47 ALA H H 1 8.229 0.020 . 1 . . . . 47 ALA H . 19507 1 217 . 1 1 47 47 ALA C C 13 178.342 0.3 . 1 . . . . 47 ALA C . 19507 1 218 . 1 1 47 47 ALA CA C 13 52.532 0.3 . 1 . . . . 47 ALA CA . 19507 1 219 . 1 1 47 47 ALA CB C 13 18.884 0.3 . 1 . . . . 47 ALA CB . 19507 1 220 . 1 1 47 47 ALA N N 15 122.990 0.3 . 1 . . . . 47 ALA N . 19507 1 221 . 1 1 48 48 GLY H H 1 8.172 0.020 . 1 . . . . 48 GLY H . 19507 1 222 . 1 1 48 48 GLY C C 13 174.478 0.3 . 1 . . . . 48 GLY C . 19507 1 223 . 1 1 48 48 GLY CA C 13 45.067 0.3 . 1 . . . . 48 GLY CA . 19507 1 224 . 1 1 48 48 GLY N N 15 107.924 0.3 . 1 . . . . 48 GLY N . 19507 1 225 . 1 1 49 49 THR H H 1 7.859 0.020 . 1 . . . . 49 THR H . 19507 1 226 . 1 1 49 49 THR C C 13 174.852 0.3 . 1 . . . . 49 THR C . 19507 1 227 . 1 1 49 49 THR CA C 13 61.923 0.3 . 1 . . . . 49 THR CA . 19507 1 228 . 1 1 49 49 THR CB C 13 69.772 0.3 . 1 . . . . 49 THR CB . 19507 1 229 . 1 1 49 49 THR N N 15 113.231 0.3 . 1 . . . . 49 THR N . 19507 1 230 . 1 1 50 50 ALA H H 1 8.245 0.020 . 1 . . . . 50 ALA H . 19507 1 231 . 1 1 50 50 ALA C C 13 178.164 0.3 . 1 . . . . 50 ALA C . 19507 1 232 . 1 1 50 50 ALA CA C 13 53.020 0.3 . 1 . . . . 50 ALA CA . 19507 1 233 . 1 1 50 50 ALA CB C 13 18.358 0.3 . 1 . . . . 50 ALA CB . 19507 1 234 . 1 1 50 50 ALA N N 15 125.821 0.3 . 1 . . . . 50 ALA N . 19507 1 235 . 1 1 51 51 ALA H H 1 8.044 0.020 . 1 . . . . 51 ALA H . 19507 1 236 . 1 1 51 51 ALA C C 13 178.307 0.3 . 1 . . . . 51 ALA C . 19507 1 237 . 1 1 51 51 ALA CA C 13 52.932 0.3 . 1 . . . . 51 ALA CA . 19507 1 238 . 1 1 51 51 ALA CB C 13 18.432 0.3 . 1 . . . . 51 ALA CB . 19507 1 239 . 1 1 51 51 ALA N N 15 122.425 0.3 . 1 . . . . 51 ALA N . 19507 1 240 . 1 1 52 52 GLN H H 1 7.979 0.020 . 1 . . . . 52 GLN H . 19507 1 241 . 1 1 52 52 GLN C C 13 176.205 0.3 . 1 . . . . 52 GLN C . 19507 1 242 . 1 1 52 52 GLN CA C 13 56.116 0.3 . 1 . . . . 52 GLN CA . 19507 1 243 . 1 1 52 52 GLN CB C 13 28.819 0.3 . 1 . . . . 52 GLN CB . 19507 1 244 . 1 1 52 52 GLN N N 15 118.930 0.3 . 1 . . . . 52 GLN N . 19507 1 245 . 1 1 53 53 ALA H H 1 8.043 0.020 . 1 . . . . 53 ALA H . 19507 1 246 . 1 1 53 53 ALA C C 13 177.968 0.3 . 1 . . . . 53 ALA C . 19507 1 247 . 1 1 53 53 ALA CA C 13 52.785 0.3 . 1 . . . . 53 ALA CA . 19507 1 248 . 1 1 53 53 ALA CB C 13 18.506 0.3 . 1 . . . . 53 ALA CB . 19507 1 249 . 1 1 53 53 ALA N N 15 124.149 0.3 . 1 . . . . 53 ALA N . 19507 1 250 . 1 1 54 54 ALA H H 1 7.969 0.020 . 1 . . . . 54 ALA H . 19507 1 251 . 1 1 54 54 ALA C C 13 178.111 0.3 . 1 . . . . 54 ALA C . 19507 1 252 . 1 1 54 54 ALA CA C 13 52.785 0.3 . 1 . . . . 54 ALA CA . 19507 1 253 . 1 1 54 54 ALA CB C 13 18.432 0.3 . 1 . . . . 54 ALA CB . 19507 1 254 . 1 1 54 54 ALA N N 15 122.294 0.3 . 1 . . . . 54 ALA N . 19507 1 255 . 1 1 55 55 VAL H H 1 7.778 0.020 . 1 . . . . 55 VAL H . 19507 1 256 . 1 1 55 55 VAL C C 13 176.544 0.3 . 1 . . . . 55 VAL C . 19507 1 257 . 1 1 55 55 VAL CA C 13 63.229 0.3 . 1 . . . . 55 VAL CA . 19507 1 258 . 1 1 55 55 VAL CB C 13 32.009 0.3 . 1 . . . . 55 VAL CB . 19507 1 259 . 1 1 55 55 VAL N N 15 119.729 0.3 . 1 . . . . 55 VAL N . 19507 1 260 . 1 1 56 56 VAL H H 1 7.936 0.020 . 1 . . . . 56 VAL H . 19507 1 261 . 1 1 56 56 VAL C C 13 176.366 0.3 . 1 . . . . 56 VAL C . 19507 1 262 . 1 1 56 56 VAL CA C 13 63.140 0.3 . 1 . . . . 56 VAL CA . 19507 1 263 . 1 1 56 56 VAL CB C 13 31.935 0.3 . 1 . . . . 56 VAL CB . 19507 1 264 . 1 1 56 56 VAL N N 15 123.777 0.3 . 1 . . . . 56 VAL N . 19507 1 265 . 1 1 57 57 ARG H H 1 8.102 0.020 . 1 . . . . 57 ARG H . 19507 1 266 . 1 1 57 57 ARG C C 13 176.544 0.3 . 1 . . . . 57 ARG C . 19507 1 267 . 1 1 57 57 ARG CA C 13 56.486 0.3 . 1 . . . . 57 ARG CA . 19507 1 268 . 1 1 57 57 ARG CB C 13 30.430 0.3 . 1 . . . . 57 ARG CB . 19507 1 269 . 1 1 57 57 ARG N N 15 123.562 0.3 . 1 . . . . 57 ARG N . 19507 1 270 . 1 1 58 58 PHE H H 1 8.122 0.020 . 1 . . . . 58 PHE H . 19507 1 271 . 1 1 58 58 PHE C C 13 176.063 0.3 . 1 . . . . 58 PHE C . 19507 1 272 . 1 1 58 58 PHE CA C 13 58.421 0.3 . 1 . . . . 58 PHE CA . 19507 1 273 . 1 1 58 58 PHE CB C 13 38.983 0.3 . 1 . . . . 58 PHE CB . 19507 1 274 . 1 1 58 58 PHE N N 15 121.421 0.3 . 1 . . . . 58 PHE N . 19507 1 275 . 1 1 59 59 GLN H H 1 8.167 0.020 . 1 . . . . 59 GLN H . 19507 1 276 . 1 1 59 59 GLN C C 13 176.312 0.3 . 1 . . . . 59 GLN C . 19507 1 277 . 1 1 59 59 GLN CA C 13 56.198 0.3 . 1 . . . . 59 GLN CA . 19507 1 278 . 1 1 59 59 GLN CB C 13 28.967 0.3 . 1 . . . . 59 GLN CB . 19507 1 279 . 1 1 59 59 GLN N N 15 121.848 0.3 . 1 . . . . 59 GLN N . 19507 1 280 . 1 1 60 60 GLU H H 1 8.268 0.020 . 1 . . . . 60 GLU H . 19507 1 281 . 1 1 60 60 GLU C C 13 176.918 0.3 . 1 . . . . 60 GLU C . 19507 1 282 . 1 1 60 60 GLU CA C 13 57.087 0.3 . 1 . . . . 60 GLU CA . 19507 1 283 . 1 1 60 60 GLU CB C 13 29.487 0.3 . 1 . . . . 60 GLU CB . 19507 1 284 . 1 1 60 60 GLU N N 15 121.831 0.3 . 1 . . . . 60 GLU N . 19507 1 285 . 1 1 61 61 ALA H H 1 8.097 0.020 . 1 . . . . 61 ALA H . 19507 1 286 . 1 1 61 61 ALA C C 13 178.164 0.3 . 1 . . . . 61 ALA C . 19507 1 287 . 1 1 61 61 ALA CA C 13 52.838 0.3 . 1 . . . . 61 ALA CA . 19507 1 288 . 1 1 61 61 ALA CB C 13 18.506 0.3 . 1 . . . . 61 ALA CB . 19507 1 289 . 1 1 61 61 ALA N N 15 124.284 0.3 . 1 . . . . 61 ALA N . 19507 1 290 . 1 1 62 62 ALA H H 1 8.063 0.020 . 1 . . . . 62 ALA H . 19507 1 291 . 1 1 62 62 ALA C C 13 178.182 0.3 . 1 . . . . 62 ALA C . 19507 1 292 . 1 1 62 62 ALA CA C 13 52.881 0.3 . 1 . . . . 62 ALA CA . 19507 1 293 . 1 1 62 62 ALA CB C 13 18.432 0.3 . 1 . . . . 62 ALA CB . 19507 1 294 . 1 1 62 62 ALA N N 15 122.533 0.3 . 1 . . . . 62 ALA N . 19507 1 295 . 1 1 63 63 ASN H H 1 8.095 0.020 . 1 . . . . 63 ASN H . 19507 1 296 . 1 1 63 63 ASN C C 13 175.636 0.3 . 1 . . . . 63 ASN C . 19507 1 297 . 1 1 63 63 ASN CA C 13 53.451 0.3 . 1 . . . . 63 ASN CA . 19507 1 298 . 1 1 63 63 ASN CB C 13 38.241 0.3 . 1 . . . . 63 ASN CB . 19507 1 299 . 1 1 63 63 ASN N N 15 117.200 0.3 . 1 . . . . 63 ASN N . 19507 1 300 . 1 1 64 64 LYS H H 1 7.977 0.020 . 1 . . . . 64 LYS H . 19507 1 301 . 1 1 64 64 LYS C C 13 177.790 0.3 . 1 . . . . 64 LYS C . 19507 1 302 . 1 1 64 64 LYS CA C 13 56.877 0.3 . 1 . . . . 64 LYS CA . 19507 1 303 . 1 1 64 64 LYS CB C 13 32.362 0.3 . 1 . . . . 64 LYS CB . 19507 1 304 . 1 1 64 64 LYS N N 15 121.527 0.3 . 1 . . . . 64 LYS N . 19507 1 305 . 1 1 65 65 GLN H H 1 8.212 0.020 . 1 . . . . 65 GLN H . 19507 1 306 . 1 1 65 65 GLN C C 13 177.452 0.3 . 1 . . . . 65 GLN C . 19507 1 307 . 1 1 65 65 GLN CA C 13 56.179 0.3 . 1 . . . . 65 GLN CA . 19507 1 308 . 1 1 65 65 GLN CB C 13 28.942 0.3 . 1 . . . . 65 GLN CB . 19507 1 309 . 1 1 65 65 GLN N N 15 121.156 0.3 . 1 . . . . 65 GLN N . 19507 1 310 . 1 1 66 66 LYS H H 1 8.253 0.020 . 1 . . . . 66 LYS H . 19507 1 311 . 1 1 66 66 LYS C C 13 176.294 0.3 . 1 . . . . 66 LYS C . 19507 1 312 . 1 1 66 66 LYS CA C 13 56.928 0.3 . 1 . . . . 66 LYS CA . 19507 1 313 . 1 1 66 66 LYS CB C 13 33.196 0.3 . 1 . . . . 66 LYS CB . 19507 1 314 . 1 1 66 66 LYS N N 15 121.604 0.3 . 1 . . . . 66 LYS N . 19507 1 315 . 1 1 67 67 GLN H H 1 8.362 0.020 . 1 . . . . 67 GLN H . 19507 1 316 . 1 1 67 67 GLN C C 13 173.694 0.3 . 1 . . . . 67 GLN C . 19507 1 317 . 1 1 67 67 GLN CA C 13 55.545 0.3 . 1 . . . . 67 GLN CA . 19507 1 318 . 1 1 67 67 GLN CB C 13 29.561 0.3 . 1 . . . . 67 GLN CB . 19507 1 319 . 1 1 67 67 GLN N N 15 120.704 0.3 . 1 . . . . 67 GLN N . 19507 1 320 . 1 1 68 68 GLU H H 1 8.063 0.020 . 1 . . . . 68 GLU H . 19507 1 321 . 1 1 68 68 GLU C C 13 176.864 0.3 . 1 . . . . 68 GLU C . 19507 1 322 . 1 1 68 68 GLU CA C 13 57.032 0.3 . 1 . . . . 68 GLU CA . 19507 1 323 . 1 1 68 68 GLU CB C 13 30.080 0.3 . 1 . . . . 68 GLU CB . 19507 1 324 . 1 1 68 68 GLU N N 15 125.201 0.3 . 1 . . . . 68 GLU N . 19507 1 325 . 1 1 69 69 LEU H H 1 8.067 0.020 . 1 . . . . 69 LEU H . 19507 1 326 . 1 1 69 69 LEU C C 13 177.523 0.3 . 1 . . . . 69 LEU C . 19507 1 327 . 1 1 69 69 LEU CA C 13 55.379 0.3 . 1 . . . . 69 LEU CA . 19507 1 328 . 1 1 69 69 LEU CB C 13 41.876 0.3 . 1 . . . . 69 LEU CB . 19507 1 329 . 1 1 69 69 LEU N N 15 121.905 0.3 . 1 . . . . 69 LEU N . 19507 1 330 . 1 1 70 70 ASP H H 1 8.151 0.020 . 1 . . . . 70 ASP H . 19507 1 331 . 1 1 70 70 ASP C C 13 176.508 0.3 . 1 . . . . 70 ASP C . 19507 1 332 . 1 1 70 70 ASP CA C 13 54.530 0.3 . 1 . . . . 70 ASP CA . 19507 1 333 . 1 1 70 70 ASP CB C 13 40.541 0.3 . 1 . . . . 70 ASP CB . 19507 1 334 . 1 1 70 70 ASP N N 15 120.769 0.3 . 1 . . . . 70 ASP N . 19507 1 335 . 1 1 71 71 GLU H H 1 8.094 0.020 . 1 . . . . 71 GLU H . 19507 1 336 . 1 1 71 71 GLU C C 13 176.793 0.3 . 1 . . . . 71 GLU C . 19507 1 337 . 1 1 71 71 GLU CA C 13 56.880 0.3 . 1 . . . . 71 GLU CA . 19507 1 338 . 1 1 71 71 GLU CB C 13 29.709 0.3 . 1 . . . . 71 GLU CB . 19507 1 339 . 1 1 71 71 GLU N N 15 120.888 0.3 . 1 . . . . 71 GLU N . 19507 1 340 . 1 1 72 72 ILE H H 1 7.953 0.020 . 1 . . . . 72 ILE H . 19507 1 341 . 1 1 72 72 ILE C C 13 176.864 0.3 . 1 . . . . 72 ILE C . 19507 1 342 . 1 1 72 72 ILE CA C 13 61.759 0.3 . 1 . . . . 72 ILE CA . 19507 1 343 . 1 1 72 72 ILE CB C 13 37.944 0.3 . 1 . . . . 72 ILE CB . 19507 1 344 . 1 1 72 72 ILE N N 15 120.933 0.3 . 1 . . . . 72 ILE N . 19507 1 345 . 1 1 73 73 SER H H 1 8.191 0.020 . 1 . . . . 73 SER H . 19507 1 346 . 1 1 73 73 SER C C 13 175.119 0.3 . 1 . . . . 73 SER C . 19507 1 347 . 1 1 73 73 SER CA C 13 58.797 0.3 . 1 . . . . 73 SER CA . 19507 1 348 . 1 1 73 73 SER CB C 13 63.243 0.3 . 1 . . . . 73 SER CB . 19507 1 349 . 1 1 73 73 SER N N 15 118.543 0.3 . 1 . . . . 73 SER N . 19507 1 350 . 1 1 74 74 THR H H 1 7.974 0.020 . 1 . . . . 74 THR H . 19507 1 351 . 1 1 74 74 THR C C 13 174.353 0.3 . 1 . . . . 74 THR C . 19507 1 352 . 1 1 74 74 THR CA C 13 62.517 0.3 . 1 . . . . 74 THR CA . 19507 1 353 . 1 1 74 74 THR CB C 13 69.030 0.3 . 1 . . . . 74 THR CB . 19507 1 354 . 1 1 74 74 THR N N 15 115.418 0.3 . 1 . . . . 74 THR N . 19507 1 355 . 1 1 75 75 ASN H H 1 8.126 0.020 . 1 . . . . 75 ASN H . 19507 1 356 . 1 1 75 75 ASN C C 13 175.279 0.3 . 1 . . . . 75 ASN C . 19507 1 357 . 1 1 75 75 ASN CA C 13 53.378 0.3 . 1 . . . . 75 ASN CA . 19507 1 358 . 1 1 75 75 ASN CB C 13 38.241 0.3 . 1 . . . . 75 ASN CB . 19507 1 359 . 1 1 75 75 ASN N N 15 120.469 0.3 . 1 . . . . 75 ASN N . 19507 1 360 . 1 1 76 76 ILE H H 1 7.863 0.020 . 1 . . . . 76 ILE H . 19507 1 361 . 1 1 76 76 ILE C C 13 176.330 0.3 . 1 . . . . 76 ILE C . 19507 1 362 . 1 1 76 76 ILE CA C 13 61.477 0.3 . 1 . . . . 76 ILE CA . 19507 1 363 . 1 1 76 76 ILE CB C 13 38.093 0.3 . 1 . . . . 76 ILE CB . 19507 1 364 . 1 1 76 76 ILE N N 15 120.878 0.3 . 1 . . . . 76 ILE N . 19507 1 365 . 1 1 77 77 ARG H H 1 8.163 0.020 . 1 . . . . 77 ARG H . 19507 1 366 . 1 1 77 77 ARG C C 13 176.633 0.3 . 1 . . . . 77 ARG C . 19507 1 367 . 1 1 77 77 ARG CA C 13 56.176 0.3 . 1 . . . . 77 ARG CA . 19507 1 368 . 1 1 77 77 ARG CB C 13 30.354 0.3 . 1 . . . . 77 ARG CB . 19507 1 369 . 1 1 77 77 ARG N N 15 124.408 0.3 . 1 . . . . 77 ARG N . 19507 1 370 . 1 1 78 78 GLN H H 1 8.230 0.020 . 1 . . . . 78 GLN H . 19507 1 371 . 1 1 78 78 GLN C C 13 175.582 0.3 . 1 . . . . 78 GLN C . 19507 1 372 . 1 1 78 78 GLN CA C 13 55.498 0.3 . 1 . . . . 78 GLN CA . 19507 1 373 . 1 1 78 78 GLN CB C 13 29.116 0.3 . 1 . . . . 78 GLN CB . 19507 1 374 . 1 1 78 78 GLN N N 15 121.497 0.3 . 1 . . . . 78 GLN N . 19507 1 375 . 1 1 79 79 ALA H H 1 8.204 0.020 . 1 . . . . 79 ALA H . 19507 1 376 . 1 1 79 79 ALA C C 13 178.342 0.3 . 1 . . . . 79 ALA C . 19507 1 377 . 1 1 79 79 ALA CA C 13 52.627 0.3 . 1 . . . . 79 ALA CA . 19507 1 378 . 1 1 79 79 ALA CB C 13 18.655 0.3 . 1 . . . . 79 ALA CB . 19507 1 379 . 1 1 79 79 ALA N N 15 125.182 0.3 . 1 . . . . 79 ALA N . 19507 1 380 . 1 1 80 80 GLY H H 1 8.226 0.020 . 1 . . . . 80 GLY H . 19507 1 381 . 1 1 80 80 GLY C C 13 173.926 0.3 . 1 . . . . 80 GLY C . 19507 1 382 . 1 1 80 80 GLY CA C 13 45.051 0.3 . 1 . . . . 80 GLY CA . 19507 1 383 . 1 1 80 80 GLY N N 15 107.940 0.3 . 1 . . . . 80 GLY N . 19507 1 384 . 1 1 81 81 VAL H H 1 7.739 0.020 . 1 . . . . 81 VAL H . 19507 1 385 . 1 1 81 81 VAL C C 13 175.814 0.3 . 1 . . . . 81 VAL C . 19507 1 386 . 1 1 81 81 VAL CA C 13 62.240 0.3 . 1 . . . . 81 VAL CA . 19507 1 387 . 1 1 81 81 VAL CB C 13 32.232 0.3 . 1 . . . . 81 VAL CB . 19507 1 388 . 1 1 81 81 VAL N N 15 119.665 0.3 . 1 . . . . 81 VAL N . 19507 1 389 . 1 1 82 82 GLN H H 1 8.320 0.020 . 1 . . . . 82 GLN H . 19507 1 390 . 1 1 82 82 GLN C C 13 175.244 0.3 . 1 . . . . 82 GLN C . 19507 1 391 . 1 1 82 82 GLN CA C 13 55.157 0.3 . 1 . . . . 82 GLN CA . 19507 1 392 . 1 1 82 82 GLN CB C 13 28.967 0.3 . 1 . . . . 82 GLN CB . 19507 1 393 . 1 1 82 82 GLN N N 15 123.962 0.3 . 1 . . . . 82 GLN N . 19507 1 394 . 1 1 83 83 TYR H H 1 8.132 0.020 . 1 . . . . 83 TYR H . 19507 1 395 . 1 1 83 83 TYR C C 13 175.493 0.3 . 1 . . . . 83 TYR C . 19507 1 396 . 1 1 83 83 TYR CA C 13 57.531 0.3 . 1 . . . . 83 TYR CA . 19507 1 397 . 1 1 83 83 TYR CB C 13 38.760 0.3 . 1 . . . . 83 TYR CB . 19507 1 398 . 1 1 83 83 TYR N N 15 122.178 0.3 . 1 . . . . 83 TYR N . 19507 1 399 . 1 1 84 84 SER H H 1 8.266 0.020 . 1 . . . . 84 SER H . 19507 1 400 . 1 1 84 84 SER C C 13 174.140 0.3 . 1 . . . . 84 SER C . 19507 1 401 . 1 1 84 84 SER CA C 13 57.382 0.3 . 1 . . . . 84 SER CA . 19507 1 402 . 1 1 84 84 SER CB C 13 63.763 0.3 . 1 . . . . 84 SER CB . 19507 1 403 . 1 1 84 84 SER N N 15 118.260 0.3 . 1 . . . . 84 SER N . 19507 1 404 . 1 1 85 85 ARG H H 1 8.339 0.020 . 1 . . . . 85 ARG H . 19507 1 405 . 1 1 85 85 ARG C C 13 176.544 0.3 . 1 . . . . 85 ARG C . 19507 1 406 . 1 1 85 85 ARG CA C 13 56.423 0.3 . 1 . . . . 85 ARG CA . 19507 1 407 . 1 1 85 85 ARG CB C 13 30.154 0.3 . 1 . . . . 85 ARG CB . 19507 1 408 . 1 1 85 85 ARG N N 15 123.596 0.3 . 1 . . . . 85 ARG N . 19507 1 409 . 1 1 86 86 ALA H H 1 8.216 0.020 . 1 . . . . 86 ALA H . 19507 1 410 . 1 1 86 86 ALA C C 13 178.289 0.3 . 1 . . . . 86 ALA C . 19507 1 411 . 1 1 86 86 ALA CA C 13 53.257 0.3 . 1 . . . . 86 ALA CA . 19507 1 412 . 1 1 86 86 ALA CB C 13 18.358 0.3 . 1 . . . . 86 ALA CB . 19507 1 413 . 1 1 86 86 ALA N N 15 124.057 0.3 . 1 . . . . 86 ALA N . 19507 1 414 . 1 1 87 87 ASP H H 1 8.047 0.020 . 1 . . . . 87 ASP H . 19507 1 415 . 1 1 87 87 ASP C C 13 176.989 0.3 . 1 . . . . 87 ASP C . 19507 1 416 . 1 1 87 87 ASP CA C 13 54.974 0.3 . 1 . . . . 87 ASP CA . 19507 1 417 . 1 1 87 87 ASP CB C 13 40.390 0.3 . 1 . . . . 87 ASP CB . 19507 1 418 . 1 1 87 87 ASP N N 15 118.634 0.3 . 1 . . . . 87 ASP N . 19507 1 419 . 1 1 88 88 GLU H H 1 8.014 0.020 . 1 . . . . 88 GLU H . 19507 1 420 . 1 1 88 88 GLU C C 13 177.541 0.3 . 1 . . . . 88 GLU C . 19507 1 421 . 1 1 88 88 GLU CA C 13 57.650 0.3 . 1 . . . . 88 GLU CA . 19507 1 422 . 1 1 88 88 GLU CB C 13 29.635 0.3 . 1 . . . . 88 GLU CB . 19507 1 423 . 1 1 88 88 GLU N N 15 120.677 0.3 . 1 . . . . 88 GLU N . 19507 1 424 . 1 1 89 89 GLU H H 1 8.209 0.020 . 1 . . . . 89 GLU H . 19507 1 425 . 1 1 89 89 GLU C C 13 177.773 0.3 . 1 . . . . 89 GLU C . 19507 1 426 . 1 1 89 89 GLU CA C 13 57.714 0.3 . 1 . . . . 89 GLU CA . 19507 1 427 . 1 1 89 89 GLU CB C 13 29.537 0.3 . 1 . . . . 89 GLU CB . 19507 1 428 . 1 1 89 89 GLU N N 15 120.398 0.3 . 1 . . . . 89 GLU N . 19507 1 429 . 1 1 90 90 GLN H H 1 8.078 0.020 . 1 . . . . 90 GLN H . 19507 1 430 . 1 1 90 90 GLN C C 13 177.203 0.3 . 1 . . . . 90 GLN C . 19507 1 431 . 1 1 90 90 GLN CA C 13 56.902 0.3 . 1 . . . . 90 GLN CA . 19507 1 432 . 1 1 90 90 GLN CB C 13 28.422 0.3 . 1 . . . . 90 GLN CB . 19507 1 433 . 1 1 90 90 GLN N N 15 120.279 0.3 . 1 . . . . 90 GLN N . 19507 1 434 . 1 1 91 91 GLN H H 1 8.141 0.020 . 1 . . . . 91 GLN H . 19507 1 435 . 1 1 91 91 GLN C C 13 177.203 0.3 . 1 . . . . 91 GLN C . 19507 1 436 . 1 1 91 91 GLN CA C 13 56.845 0.3 . 1 . . . . 91 GLN CA . 19507 1 437 . 1 1 91 91 GLN CB C 13 28.422 0.3 . 1 . . . . 91 GLN CB . 19507 1 438 . 1 1 91 91 GLN N N 15 119.974 0.3 . 1 . . . . 91 GLN N . 19507 1 439 . 1 1 92 92 GLN H H 1 8.167 0.020 . 1 . . . . 92 GLN H . 19507 1 440 . 1 1 92 92 GLN C C 13 176.686 0.3 . 1 . . . . 92 GLN C . 19507 1 441 . 1 1 92 92 GLN CA C 13 56.623 0.3 . 1 . . . . 92 GLN CA . 19507 1 442 . 1 1 92 92 GLN CB C 13 28.448 0.3 . 1 . . . . 92 GLN CB . 19507 1 443 . 1 1 92 92 GLN N N 15 120.376 0.3 . 1 . . . . 92 GLN N . 19507 1 444 . 1 1 93 93 ALA H H 1 8.012 0.020 . 1 . . . . 93 ALA H . 19507 1 445 . 1 1 93 93 ALA C C 13 178.574 0.3 . 1 . . . . 93 ALA C . 19507 1 446 . 1 1 93 93 ALA CA C 13 53.198 0.3 . 1 . . . . 93 ALA CA . 19507 1 447 . 1 1 93 93 ALA CB C 13 18.358 0.3 . 1 . . . . 93 ALA CB . 19507 1 448 . 1 1 93 93 ALA N N 15 123.960 0.3 . 1 . . . . 93 ALA N . 19507 1 449 . 1 1 94 94 LEU H H 1 7.954 0.020 . 1 . . . . 94 LEU H . 19507 1 450 . 1 1 94 94 LEU C C 13 178.253 0.3 . 1 . . . . 94 LEU C . 19507 1 451 . 1 1 94 94 LEU CA C 13 55.826 0.3 . 1 . . . . 94 LEU CA . 19507 1 452 . 1 1 94 94 LEU CB C 13 41.728 0.3 . 1 . . . . 94 LEU CB . 19507 1 453 . 1 1 94 94 LEU N N 15 120.206 0.3 . 1 . . . . 94 LEU N . 19507 1 454 . 1 1 95 95 SER H H 1 8.019 0.020 . 1 . . . . 95 SER H . 19507 1 455 . 1 1 95 95 SER C C 13 175.368 0.3 . 1 . . . . 95 SER C . 19507 1 456 . 1 1 95 95 SER CA C 13 59.192 0.3 . 1 . . . . 95 SER CA . 19507 1 457 . 1 1 95 95 SER CB C 13 63.169 0.3 . 1 . . . . 95 SER CB . 19507 1 458 . 1 1 95 95 SER N N 15 115.166 0.3 . 1 . . . . 95 SER N . 19507 1 459 . 1 1 96 96 SER H H 1 8.027 0.020 . 1 . . . . 96 SER H . 19507 1 460 . 1 1 96 96 SER C C 13 175.030 0.3 . 1 . . . . 96 SER C . 19507 1 461 . 1 1 96 96 SER CA C 13 59.034 0.3 . 1 . . . . 96 SER CA . 19507 1 462 . 1 1 96 96 SER CB C 13 63.243 0.3 . 1 . . . . 96 SER CB . 19507 1 463 . 1 1 96 96 SER N N 15 117.003 0.3 . 1 . . . . 96 SER N . 19507 1 464 . 1 1 97 97 GLN H H 1 8.028 0.020 . 1 . . . . 97 GLN H . 19507 1 465 . 1 1 97 97 GLN C C 13 176.473 0.3 . 1 . . . . 97 GLN C . 19507 1 466 . 1 1 97 97 GLN CA C 13 56.274 0.3 . 1 . . . . 97 GLN CA . 19507 1 467 . 1 1 97 97 GLN CB C 13 28.596 0.3 . 1 . . . . 97 GLN CB . 19507 1 468 . 1 1 97 97 GLN N N 15 121.248 0.3 . 1 . . . . 97 GLN N . 19507 1 469 . 1 1 98 98 MET H H 1 8.067 0.020 . 1 . . . . 98 MET H . 19507 1 470 . 1 1 98 98 MET C C 13 176.900 0.3 . 1 . . . . 98 MET C . 19507 1 471 . 1 1 98 98 MET CA C 13 55.894 0.3 . 1 . . . . 98 MET CA . 19507 1 472 . 1 1 98 98 MET CB C 13 31.935 0.3 . 1 . . . . 98 MET CB . 19507 1 473 . 1 1 98 98 MET N N 15 119.811 0.3 . 1 . . . . 98 MET N . 19507 1 474 . 1 1 99 99 GLY H H 1 8.162 0.020 . 1 . . . . 99 GLY H . 19507 1 475 . 1 1 99 99 GLY C C 13 174.229 0.3 . 1 . . . . 99 GLY C . 19507 1 476 . 1 1 99 99 GLY CA C 13 45.364 0.3 . 1 . . . . 99 GLY CA . 19507 1 477 . 1 1 99 99 GLY N N 15 108.867 0.3 . 1 . . . . 99 GLY N . 19507 1 478 . 1 1 100 100 PHE H H 1 7.832 0.020 . 1 . . . . 100 PHE H . 19507 1 479 . 1 1 100 100 PHE C C 13 175.938 0.3 . 1 . . . . 100 PHE C . 19507 1 480 . 1 1 100 100 PHE CA C 13 58.114 0.3 . 1 . . . . 100 PHE CA . 19507 1 481 . 1 1 100 100 PHE CB C 13 38.983 0.3 . 1 . . . . 100 PHE CB . 19507 1 482 . 1 1 100 100 PHE N N 15 120.152 0.3 . 1 . . . . 100 PHE N . 19507 1 483 . 1 1 101 101 LYS H H 1 7.978 0.020 . 1 . . . . 101 LYS H . 19507 1 484 . 1 1 101 101 LYS C C 13 176.508 0.3 . 1 . . . . 101 LYS C . 19507 1 485 . 1 1 101 101 LYS CA C 13 56.433 0.3 . 1 . . . . 101 LYS CA . 19507 1 486 . 1 1 101 101 LYS CB C 13 32.585 0.3 . 1 . . . . 101 LYS CB . 19507 1 487 . 1 1 101 101 LYS N N 15 122.589 0.3 . 1 . . . . 101 LYS N . 19507 1 488 . 1 1 102 102 LEU H H 1 8.007 0.020 . 1 . . . . 102 LEU H . 19507 1 489 . 1 1 102 102 LEU C C 13 177.309 0.3 . 1 . . . . 102 LEU C . 19507 1 490 . 1 1 102 102 LEU CA C 13 55.323 0.3 . 1 . . . . 102 LEU CA . 19507 1 491 . 1 1 102 102 LEU CB C 13 41.802 0.3 . 1 . . . . 102 LEU CB . 19507 1 492 . 1 1 102 102 LEU N N 15 122.985 0.3 . 1 . . . . 102 LEU N . 19507 1 493 . 1 1 103 103 ALA H H 1 8.042 0.020 . 1 . . . . 103 ALA H . 19507 1 494 . 1 1 103 103 ALA C C 13 178.004 0.3 . 1 . . . . 103 ALA C . 19507 1 495 . 1 1 103 103 ALA CA C 13 52.769 0.3 . 1 . . . . 103 ALA CA . 19507 1 496 . 1 1 103 103 ALA CB C 13 18.432 0.3 . 1 . . . . 103 ALA CB . 19507 1 497 . 1 1 103 103 ALA N N 15 124.095 0.3 . 1 . . . . 103 ALA N . 19507 1 498 . 1 1 104 104 ALA H H 1 7.980 0.020 . 1 . . . . 104 ALA H . 19507 1 499 . 1 1 104 104 ALA C C 13 177.968 0.3 . 1 . . . . 104 ALA C . 19507 1 500 . 1 1 104 104 ALA CA C 13 52.670 0.3 . 1 . . . . 104 ALA CA . 19507 1 501 . 1 1 104 104 ALA CB C 13 18.506 0.3 . 1 . . . . 104 ALA CB . 19507 1 502 . 1 1 104 104 ALA N N 15 122.409 0.3 . 1 . . . . 104 ALA N . 19507 1 503 . 1 1 105 105 ALA H H 1 7.919 0.020 . 1 . . . . 105 ALA H . 19507 1 504 . 1 1 105 105 ALA C C 13 178.004 0.3 . 1 . . . . 105 ALA C . 19507 1 505 . 1 1 105 105 ALA CA C 13 52.533 0.3 . 1 . . . . 105 ALA CA . 19507 1 506 . 1 1 105 105 ALA CB C 13 18.581 0.3 . 1 . . . . 105 ALA CB . 19507 1 507 . 1 1 105 105 ALA N N 15 122.030 0.3 . 1 . . . . 105 ALA N . 19507 1 508 . 1 1 106 106 LEU H H 1 7.871 0.020 . 1 . . . . 106 LEU H . 19507 1 509 . 1 1 106 106 LEU C C 13 177.434 0.3 . 1 . . . . 106 LEU C . 19507 1 510 . 1 1 106 106 LEU CA C 13 55.037 0.3 . 1 . . . . 106 LEU CA . 19507 1 511 . 1 1 106 106 LEU CB C 13 41.876 0.3 . 1 . . . . 106 LEU CB . 19507 1 512 . 1 1 106 106 LEU N N 15 120.106 0.3 . 1 . . . . 106 LEU N . 19507 1 513 . 1 1 107 107 GLU H H 1 7.943 0.020 . 1 . . . . 107 GLU H . 19507 1 514 . 1 1 107 107 GLU C C 13 176.134 0.3 . 1 . . . . 107 GLU C . 19507 1 515 . 1 1 107 107 GLU CA C 13 56.344 0.3 . 1 . . . . 107 GLU CA . 19507 1 516 . 1 1 107 107 GLU CB C 13 29.857 0.3 . 1 . . . . 107 GLU CB . 19507 1 517 . 1 1 107 107 GLU N N 15 120.582 0.3 . 1 . . . . 107 GLU N . 19507 1 518 . 1 1 108 108 HIS H H 1 8.138 0.020 . 1 . . . . 108 HIS H . 19507 1 519 . 1 1 108 108 HIS C C 13 174.620 0.3 . 1 . . . . 108 HIS C . 19507 1 520 . 1 1 108 108 HIS CA C 13 55.640 0.3 . 1 . . . . 108 HIS CA . 19507 1 521 . 1 1 108 108 HIS CB C 13 29.611 0.3 . 1 . . . . 108 HIS CB . 19507 1 522 . 1 1 108 108 HIS N N 15 119.334 0.3 . 1 . . . . 108 HIS N . 19507 1 523 . 1 1 109 109 HIS H H 1 8.192 0.020 . 1 . . . . 109 HIS H . 19507 1 524 . 1 1 109 109 HIS C C 13 174.496 0.3 . 1 . . . . 109 HIS C . 19507 1 525 . 1 1 109 109 HIS CA C 13 55.597 0.3 . 1 . . . . 109 HIS CA . 19507 1 526 . 1 1 109 109 HIS CB C 13 29.561 0.3 . 1 . . . . 109 HIS CB . 19507 1 527 . 1 1 109 109 HIS N N 15 119.816 0.3 . 1 . . . . 109 HIS N . 19507 1 528 . 1 1 110 110 HIS H H 1 8.321 0.020 . 1 . . . . 110 HIS H . 19507 1 529 . 1 1 110 110 HIS C C 13 174.478 0.3 . 1 . . . . 110 HIS C . 19507 1 530 . 1 1 110 110 HIS CA C 13 55.501 0.3 . 1 . . . . 110 HIS CA . 19507 1 531 . 1 1 110 110 HIS CB C 13 29.536 0.3 . 1 . . . . 110 HIS CB . 19507 1 532 . 1 1 110 110 HIS N N 15 120.064 0.3 . 1 . . . . 110 HIS N . 19507 1 533 . 1 1 111 111 HIS H H 1 8.356 0.020 . 1 . . . . 111 HIS H . 19507 1 534 . 1 1 111 111 HIS CA C 13 55.424 0.3 . 1 . . . . 111 HIS CA . 19507 1 535 . 1 1 111 111 HIS N N 15 120.399 0.3 . 1 . . . . 111 HIS N . 19507 1 stop_ save_