################################### # 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 27541 _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' . . . 27541 1 2 '3D CBCA(CO)NH' . . . 27541 1 3 '3D HNCACB' . . . 27541 1 4 '3D HCACO' . . . 27541 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 3 3 ARG H H 1 8.386 0.020 . 1 . . . . . 88 ARG H . 27541 1 2 . 1 1 3 3 ARG C C 13 174.318 0.3 . 1 . . . . . 88 ARG C . 27541 1 3 . 1 1 3 3 ARG CA C 13 54.493 0.3 . 1 . . . . . 88 ARG CA . 27541 1 4 . 1 1 3 3 ARG CB C 13 31.011 0.3 . 1 . . . . . 88 ARG CB . 27541 1 5 . 1 1 3 3 ARG N N 15 120.643 0.3 . 1 . . . . . 88 ARG N . 27541 1 6 . 1 1 4 4 TYR H H 1 8.307 0.020 . 1 . . . . . 89 TYR H . 27541 1 7 . 1 1 4 4 TYR C C 13 174.614 0.3 . 1 . . . . . 89 TYR C . 27541 1 8 . 1 1 4 4 TYR CA C 13 56.635 0.3 . 1 . . . . . 89 TYR CA . 27541 1 9 . 1 1 4 4 TYR CB C 13 38.794 0.3 . 1 . . . . . 89 TYR CB . 27541 1 10 . 1 1 4 4 TYR N N 15 119.828 0.3 . 1 . . . . . 89 TYR N . 27541 1 11 . 1 1 5 5 LEU H H 1 8.763 0.020 . 1 . . . . . 90 LEU H . 27541 1 12 . 1 1 5 5 LEU C C 13 174.598 0.3 . 1 . . . . . 90 LEU C . 27541 1 13 . 1 1 5 5 LEU N N 15 127.251 0.3 . 1 . . . . . 90 LEU N . 27541 1 14 . 1 1 7 7 ASP H H 1 8.507 0.020 . 1 . . . . . 92 ASP H . 27541 1 15 . 1 1 7 7 ASP C C 13 177.681 0.3 . 1 . . . . . 92 ASP C . 27541 1 16 . 1 1 7 7 ASP CA C 13 55.106 0.3 . 1 . . . . . 92 ASP CA . 27541 1 17 . 1 1 7 7 ASP CB C 13 42.426 0.3 . 1 . . . . . 92 ASP CB . 27541 1 18 . 1 1 7 7 ASP N N 15 124.262 0.3 . 1 . . . . . 92 ASP N . 27541 1 19 . 1 1 8 8 MET H H 1 8.761 0.020 . 1 . . . . . 93 MET H . 27541 1 20 . 1 1 8 8 MET C C 13 177.144 0.3 . 1 . . . . . 93 MET C . 27541 1 21 . 1 1 8 8 MET CA C 13 54.460 0.3 . 1 . . . . . 93 MET CA . 27541 1 22 . 1 1 8 8 MET CB C 13 36.358 0.3 . 1 . . . . . 93 MET CB . 27541 1 23 . 1 1 8 8 MET N N 15 116.526 0.3 . 1 . . . . . 93 MET N . 27541 1 24 . 1 1 9 9 THR H H 1 8.886 0.020 . 1 . . . . . 94 THR H . 27541 1 25 . 1 1 9 9 THR C C 13 175.249 0.3 . 1 . . . . . 94 THR C . 27541 1 26 . 1 1 9 9 THR CA C 13 59.937 0.3 . 1 . . . . . 94 THR CA . 27541 1 27 . 1 1 9 9 THR CB C 13 70.482 0.3 . 1 . . . . . 94 THR CB . 27541 1 28 . 1 1 9 9 THR N N 15 112.880 0.3 . 1 . . . . . 94 THR N . 27541 1 29 . 1 1 10 10 LEU H H 1 8.598 0.020 . 1 . . . . . 95 LEU H . 27541 1 30 . 1 1 10 10 LEU C C 13 180.295 0.3 . 1 . . . . . 95 LEU C . 27541 1 31 . 1 1 10 10 LEU CA C 13 57.891 0.3 . 1 . . . . . 95 LEU CA . 27541 1 32 . 1 1 10 10 LEU CB C 13 40.101 0.3 . 1 . . . . . 95 LEU CB . 27541 1 33 . 1 1 10 10 LEU N N 15 120.676 0.3 . 1 . . . . . 95 LEU N . 27541 1 34 . 1 1 11 11 GLU H H 1 8.406 0.020 . 1 . . . . . 96 GLU H . 27541 1 35 . 1 1 11 11 GLU C C 13 178.705 0.3 . 1 . . . . . 96 GLU C . 27541 1 36 . 1 1 11 11 GLU CA C 13 59.610 0.3 . 1 . . . . . 96 GLU CA . 27541 1 37 . 1 1 11 11 GLU CB C 13 27.777 0.3 . 1 . . . . . 96 GLU CB . 27541 1 38 . 1 1 11 11 GLU N N 15 120.312 0.3 . 1 . . . . . 96 GLU N . 27541 1 39 . 1 1 12 12 GLU H H 1 7.696 0.020 . 1 . . . . . 97 GLU H . 27541 1 40 . 1 1 12 12 GLU C C 13 178.099 0.3 . 1 . . . . . 97 GLU C . 27541 1 41 . 1 1 12 12 GLU CA C 13 59.048 0.3 . 1 . . . . . 97 GLU CA . 27541 1 42 . 1 1 12 12 GLU CB C 13 29.921 0.3 . 1 . . . . . 97 GLU CB . 27541 1 43 . 1 1 12 12 GLU N N 15 119.213 0.3 . 1 . . . . . 97 GLU N . 27541 1 44 . 1 1 13 13 MET H H 1 7.828 0.020 . 1 . . . . . 98 MET H . 27541 1 45 . 1 1 13 13 MET C C 13 175.729 0.3 . 1 . . . . . 98 MET C . 27541 1 46 . 1 1 13 13 MET CA C 13 57.623 0.3 . 1 . . . . . 98 MET CA . 27541 1 47 . 1 1 13 13 MET CB C 13 33.274 0.3 . 1 . . . . . 98 MET CB . 27541 1 48 . 1 1 13 13 MET N N 15 113.435 0.3 . 1 . . . . . 98 MET N . 27541 1 49 . 1 1 14 14 SER H H 1 7.544 0.020 . 1 . . . . . 99 SER H . 27541 1 50 . 1 1 14 14 SER CA C 13 58.045 0.3 . 1 . . . . . 99 SER CA . 27541 1 51 . 1 1 14 14 SER CB C 13 64.398 0.3 . 1 . . . . . 99 SER CB . 27541 1 52 . 1 1 14 14 SER N N 15 110.035 0.3 . 1 . . . . . 99 SER N . 27541 1 53 . 1 1 15 15 ARG H H 1 7.401 0.020 . 1 . . . . . 100 ARG H . 27541 1 54 . 1 1 15 15 ARG C C 13 176.322 0.3 . 1 . . . . . 100 ARG C . 27541 1 55 . 1 1 15 15 ARG CA C 13 57.074 0.3 . 1 . . . . . 100 ARG CA . 27541 1 56 . 1 1 15 15 ARG CB C 13 30.206 0.3 . 1 . . . . . 100 ARG CB . 27541 1 57 . 1 1 15 15 ARG N N 15 124.801 0.3 . 1 . . . . . 100 ARG N . 27541 1 58 . 1 1 16 16 ASP H H 1 8.649 0.020 . 1 . . . . . 101 ASP H . 27541 1 59 . 1 1 16 16 ASP C C 13 175.335 0.3 . 1 . . . . . 101 ASP C . 27541 1 60 . 1 1 16 16 ASP CA C 13 53.965 0.3 . 1 . . . . . 101 ASP CA . 27541 1 61 . 1 1 16 16 ASP CB C 13 41.296 0.3 . 1 . . . . . 101 ASP CB . 27541 1 62 . 1 1 16 16 ASP N N 15 124.363 0.3 . 1 . . . . . 101 ASP N . 27541 1 63 . 1 1 17 17 TRP H H 1 8.273 0.020 . 1 . . . . . 102 TRP H . 27541 1 64 . 1 1 17 17 TRP C C 13 172.868 0.3 . 1 . . . . . 102 TRP C . 27541 1 65 . 1 1 17 17 TRP CA C 13 55.392 0.3 . 1 . . . . . 102 TRP CA . 27541 1 66 . 1 1 17 17 TRP CB C 13 30.026 0.3 . 1 . . . . . 102 TRP CB . 27541 1 67 . 1 1 17 17 TRP N N 15 118.578 0.3 . 1 . . . . . 102 TRP N . 27541 1 68 . 1 1 18 18 LEU H H 1 8.589 0.020 . 1 . . . . . 103 LEU H . 27541 1 69 . 1 1 18 18 LEU C C 13 175.577 0.3 . 1 . . . . . 103 LEU C . 27541 1 70 . 1 1 18 18 LEU CA C 13 53.048 0.3 . 1 . . . . . 103 LEU CA . 27541 1 71 . 1 1 18 18 LEU CB C 13 44.252 0.3 . 1 . . . . . 103 LEU CB . 27541 1 72 . 1 1 18 18 LEU N N 15 121.522 0.3 . 1 . . . . . 103 LEU N . 27541 1 73 . 1 1 19 19 MET H H 1 8.163 0.020 . 1 . . . . . 104 MET H . 27541 1 74 . 1 1 19 19 MET C C 13 175.051 0.3 . 1 . . . . . 104 MET C . 27541 1 75 . 1 1 19 19 MET CA C 13 53.496 0.3 . 1 . . . . . 104 MET CA . 27541 1 76 . 1 1 19 19 MET CB C 13 34.777 0.3 . 1 . . . . . 104 MET CB . 27541 1 77 . 1 1 19 19 MET N N 15 119.448 0.3 . 1 . . . . . 104 MET N . 27541 1 78 . 1 1 20 20 LEU H H 1 9.692 0.020 . 1 . . . . . 105 LEU H . 27541 1 79 . 1 1 20 20 LEU C C 13 178.988 0.3 . 1 . . . . . 105 LEU C . 27541 1 80 . 1 1 20 20 LEU CA C 13 57.106 0.3 . 1 . . . . . 105 LEU CA . 27541 1 81 . 1 1 20 20 LEU CB C 13 40.481 0.3 . 1 . . . . . 105 LEU CB . 27541 1 82 . 1 1 20 20 LEU N N 15 127.277 0.3 . 1 . . . . . 105 LEU N . 27541 1 83 . 1 1 21 21 ILE H H 1 8.634 0.020 . 1 . . . . . 106 ILE H . 27541 1 84 . 1 1 21 21 ILE C C 13 172.603 0.3 . 1 . . . . . 106 ILE C . 27541 1 85 . 1 1 21 21 ILE CA C 13 57.911 0.3 . 1 . . . . . 106 ILE CA . 27541 1 86 . 1 1 21 21 ILE CB C 13 38.127 0.3 . 1 . . . . . 106 ILE CB . 27541 1 87 . 1 1 21 21 ILE N N 15 118.534 0.3 . 1 . . . . . 106 ILE N . 27541 1 88 . 1 1 23 23 LYS H H 1 8.214 0.020 . 1 . . . . . 108 LYS H . 27541 1 89 . 1 1 23 23 LYS C C 13 174.087 0.3 . 1 . . . . . 108 LYS C . 27541 1 90 . 1 1 23 23 LYS CA C 13 55.540 0.3 . 1 . . . . . 108 LYS CA . 27541 1 91 . 1 1 23 23 LYS CB C 13 33.849 0.3 . 1 . . . . . 108 LYS CB . 27541 1 92 . 1 1 23 23 LYS N N 15 123.531 0.3 . 1 . . . . . 108 LYS N . 27541 1 93 . 1 1 24 24 GLN H H 1 8.649 0.020 . 1 . . . . . 109 GLN H . 27541 1 94 . 1 1 24 24 GLN C C 13 174.364 0.3 . 1 . . . . . 109 GLN C . 27541 1 95 . 1 1 24 24 GLN CA C 13 53.580 0.3 . 1 . . . . . 109 GLN CA . 27541 1 96 . 1 1 24 24 GLN CB C 13 31.873 0.3 . 1 . . . . . 109 GLN CB . 27541 1 97 . 1 1 24 24 GLN N N 15 125.403 0.3 . 1 . . . . . 109 GLN N . 27541 1 98 . 1 1 25 25 LYS H H 1 9.319 0.020 . 1 . . . . . 110 LYS H . 27541 1 99 . 1 1 25 25 LYS C C 13 173.525 0.3 . 1 . . . . . 110 LYS C . 27541 1 100 . 1 1 25 25 LYS CA C 13 54.444 0.3 . 1 . . . . . 110 LYS CA . 27541 1 101 . 1 1 25 25 LYS CB C 13 35.607 0.3 . 1 . . . . . 110 LYS CB . 27541 1 102 . 1 1 25 25 LYS N N 15 126.136 0.3 . 1 . . . . . 110 LYS N . 27541 1 103 . 1 1 26 26 ILE H H 1 8.649 0.020 . 1 . . . . . 111 ILE H . 27541 1 104 . 1 1 26 26 ILE C C 13 176.568 0.3 . 1 . . . . . 111 ILE C . 27541 1 105 . 1 1 26 26 ILE CA C 13 59.337 0.3 . 1 . . . . . 111 ILE CA . 27541 1 106 . 1 1 26 26 ILE CB C 13 38.308 0.3 . 1 . . . . . 111 ILE CB . 27541 1 107 . 1 1 26 26 ILE N N 15 124.717 0.3 . 1 . . . . . 111 ILE N . 27541 1 108 . 1 1 27 27 THR H H 1 8.656 0.020 . 1 . . . . . 112 THR H . 27541 1 109 . 1 1 27 27 THR C C 13 174.035 0.3 . 1 . . . . . 112 THR C . 27541 1 110 . 1 1 27 27 THR CA C 13 59.325 0.3 . 1 . . . . . 112 THR CA . 27541 1 111 . 1 1 27 27 THR CB C 13 69.087 0.3 . 1 . . . . . 112 THR CB . 27541 1 112 . 1 1 27 27 THR N N 15 122.125 0.3 . 1 . . . . . 112 THR N . 27541 1 113 . 1 1 28 28 GLY H H 1 8.843 0.020 . 1 . . . . . 113 GLY H . 27541 1 114 . 1 1 28 28 GLY C C 13 173.601 0.3 . 1 . . . . . 113 GLY C . 27541 1 115 . 1 1 28 28 GLY CA C 13 47.019 0.3 . 1 . . . . . 113 GLY CA . 27541 1 116 . 1 1 28 28 GLY N N 15 117.863 0.3 . 1 . . . . . 113 GLY N . 27541 1 117 . 1 1 30 30 LEU H H 1 7.910 0.020 . 1 . . . . . 115 LEU H . 27541 1 118 . 1 1 30 30 LEU C C 13 173.525 0.3 . 1 . . . . . 115 LEU C . 27541 1 119 . 1 1 30 30 LEU CA C 13 53.029 0.3 . 1 . . . . . 115 LEU CA . 27541 1 120 . 1 1 30 30 LEU CB C 13 43.899 0.3 . 1 . . . . . 115 LEU CB . 27541 1 121 . 1 1 30 30 LEU N N 15 119.887 0.3 . 1 . . . . . 115 LEU N . 27541 1 122 . 1 1 31 31 CYS H H 1 9.054 0.020 . 1 . . . . . 116 CYS H . 27541 1 123 . 1 1 31 31 CYS CA C 13 57.039 0.3 . 1 . . . . . 116 CYS CA . 27541 1 124 . 1 1 31 31 CYS CB C 13 27.564 0.3 . 1 . . . . . 116 CYS CB . 27541 1 125 . 1 1 31 31 CYS N N 15 120.566 0.3 . 1 . . . . . 116 CYS N . 27541 1 126 . 1 1 32 32 ILE H H 1 9.370 0.020 . 1 . . . . . 117 ILE H . 27541 1 127 . 1 1 32 32 ILE C C 13 175.016 0.3 . 1 . . . . . 117 ILE C . 27541 1 128 . 1 1 32 32 ILE CA C 13 60.472 0.3 . 1 . . . . . 117 ILE CA . 27541 1 129 . 1 1 32 32 ILE CB C 13 39.262 0.3 . 1 . . . . . 117 ILE CB . 27541 1 130 . 1 1 32 32 ILE N N 15 130.245 0.3 . 1 . . . . . 117 ILE N . 27541 1 131 . 1 1 33 33 ARG H H 1 9.407 0.020 . 1 . . . . . 118 ARG H . 27541 1 132 . 1 1 33 33 ARG C C 13 174.626 0.3 . 1 . . . . . 118 ARG C . 27541 1 133 . 1 1 33 33 ARG CA C 13 54.170 0.3 . 1 . . . . . 118 ARG CA . 27541 1 134 . 1 1 33 33 ARG CB C 13 33.578 0.3 . 1 . . . . . 118 ARG CB . 27541 1 135 . 1 1 33 33 ARG N N 15 126.044 0.3 . 1 . . . . . 118 ARG N . 27541 1 136 . 1 1 34 34 MET H H 1 8.744 0.020 . 1 . . . . . 119 MET H . 27541 1 137 . 1 1 34 34 MET C C 13 172.260 0.3 . 1 . . . . . 119 MET C . 27541 1 138 . 1 1 34 34 MET CA C 13 54.389 0.3 . 1 . . . . . 119 MET CA . 27541 1 139 . 1 1 34 34 MET CB C 13 35.044 0.3 . 1 . . . . . 119 MET CB . 27541 1 140 . 1 1 34 34 MET N N 15 117.042 0.3 . 1 . . . . . 119 MET N . 27541 1 141 . 1 1 35 35 ASP H H 1 8.031 0.020 . 1 . . . . . 120 ASP H . 27541 1 142 . 1 1 35 35 ASP C C 13 177.866 0.3 . 1 . . . . . 120 ASP C . 27541 1 143 . 1 1 35 35 ASP CA C 13 52.628 0.3 . 1 . . . . . 120 ASP CA . 27541 1 144 . 1 1 35 35 ASP CB C 13 41.591 0.3 . 1 . . . . . 120 ASP CB . 27541 1 145 . 1 1 35 35 ASP N N 15 118.711 0.3 . 1 . . . . . 120 ASP N . 27541 1 146 . 1 1 36 36 GLN H H 1 9.432 0.020 . 1 . . . . . 121 GLN H . 27541 1 147 . 1 1 36 36 GLN C C 13 175.160 0.3 . 1 . . . . . 121 GLN C . 27541 1 148 . 1 1 36 36 GLN CA C 13 56.349 0.3 . 1 . . . . . 121 GLN CA . 27541 1 149 . 1 1 36 36 GLN CB C 13 28.131 0.3 . 1 . . . . . 121 GLN CB . 27541 1 150 . 1 1 36 36 GLN N N 15 127.043 0.3 . 1 . . . . . 121 GLN N . 27541 1 151 . 1 1 37 37 ALA H H 1 8.780 0.020 . 1 . . . . . 122 ALA H . 27541 1 152 . 1 1 37 37 ALA C C 13 177.679 0.3 . 1 . . . . . 122 ALA C . 27541 1 153 . 1 1 37 37 ALA CA C 13 52.196 0.3 . 1 . . . . . 122 ALA CA . 27541 1 154 . 1 1 37 37 ALA CB C 13 19.540 0.3 . 1 . . . . . 122 ALA CB . 27541 1 155 . 1 1 37 37 ALA N N 15 119.079 0.3 . 1 . . . . . 122 ALA N . 27541 1 156 . 1 1 38 38 ILE H H 1 6.770 0.020 . 1 . . . . . 123 ILE H . 27541 1 157 . 1 1 38 38 ILE C C 13 175.065 0.3 . 1 . . . . . 123 ILE C . 27541 1 158 . 1 1 38 38 ILE CA C 13 58.747 0.3 . 1 . . . . . 123 ILE CA . 27541 1 159 . 1 1 38 38 ILE CB C 13 34.567 0.3 . 1 . . . . . 123 ILE CB . 27541 1 160 . 1 1 38 38 ILE N N 15 116.805 0.3 . 1 . . . . . 123 ILE N . 27541 1 161 . 1 1 39 39 VAL H H 1 8.159 0.020 . 1 . . . . . 124 VAL H . 27541 1 162 . 1 1 39 39 VAL C C 13 175.299 0.3 . 1 . . . . . 124 VAL C . 27541 1 163 . 1 1 39 39 VAL CA C 13 59.016 0.3 . 1 . . . . . 124 VAL CA . 27541 1 164 . 1 1 39 39 VAL CB C 13 35.007 0.3 . 1 . . . . . 124 VAL CB . 27541 1 165 . 1 1 39 39 VAL N N 15 125.348 0.3 . 1 . . . . . 124 VAL N . 27541 1 166 . 1 1 40 40 ASP H H 1 6.850 0.020 . 1 . . . . . 125 ASP H . 27541 1 167 . 1 1 40 40 ASP C C 13 175.327 0.3 . 1 . . . . . 125 ASP C . 27541 1 168 . 1 1 40 40 ASP CA C 13 55.316 0.3 . 1 . . . . . 125 ASP CA . 27541 1 169 . 1 1 40 40 ASP CB C 13 39.068 0.3 . 1 . . . . . 125 ASP CB . 27541 1 170 . 1 1 40 40 ASP N N 15 115.933 0.3 . 1 . . . . . 125 ASP N . 27541 1 171 . 1 1 41 41 LYS H H 1 9.389 0.020 . 1 . . . . . 126 LYS H . 27541 1 172 . 1 1 41 41 LYS C C 13 175.674 0.3 . 1 . . . . . 126 LYS C . 27541 1 173 . 1 1 41 41 LYS CA C 13 53.304 0.3 . 1 . . . . . 126 LYS CA . 27541 1 174 . 1 1 41 41 LYS CB C 13 33.214 0.3 . 1 . . . . . 126 LYS CB . 27541 1 175 . 1 1 41 41 LYS N N 15 117.685 0.3 . 1 . . . . . 126 LYS N . 27541 1 176 . 1 1 42 42 ASN H H 1 8.486 0.020 . 1 . . . . . 127 ASN H . 27541 1 177 . 1 1 42 42 ASN CA C 13 52.327 0.3 . 1 . . . . . 127 ASN CA . 27541 1 178 . 1 1 42 42 ASN CB C 13 38.643 0.3 . 1 . . . . . 127 ASN CB . 27541 1 179 . 1 1 42 42 ASN N N 15 118.918 0.3 . 1 . . . . . 127 ASN N . 27541 1 180 . 1 1 43 43 ILE H H 1 8.986 0.020 . 1 . . . . . 128 ILE H . 27541 1 181 . 1 1 43 43 ILE C C 13 175.098 0.3 . 1 . . . . . 128 ILE C . 27541 1 182 . 1 1 43 43 ILE CA C 13 58.754 0.3 . 1 . . . . . 128 ILE CA . 27541 1 183 . 1 1 43 43 ILE CB C 13 39.790 0.3 . 1 . . . . . 128 ILE CB . 27541 1 184 . 1 1 43 43 ILE N N 15 126.058 0.3 . 1 . . . . . 128 ILE N . 27541 1 185 . 1 1 44 44 THR H H 1 9.391 0.020 . 1 . . . . . 129 THR H . 27541 1 186 . 1 1 44 44 THR C C 13 174.171 0.3 . 1 . . . . . 129 THR C . 27541 1 187 . 1 1 44 44 THR CA C 13 61.030 0.3 . 1 . . . . . 129 THR CA . 27541 1 188 . 1 1 44 44 THR CB C 13 70.458 0.3 . 1 . . . . . 129 THR CB . 27541 1 189 . 1 1 44 44 THR N N 15 123.809 0.3 . 1 . . . . . 129 THR N . 27541 1 190 . 1 1 45 45 LEU H H 1 8.906 0.020 . 1 . . . . . 130 LEU H . 27541 1 191 . 1 1 45 45 LEU C C 13 174.132 0.3 . 1 . . . . . 130 LEU C . 27541 1 192 . 1 1 45 45 LEU CA C 13 53.489 0.3 . 1 . . . . . 130 LEU CA . 27541 1 193 . 1 1 45 45 LEU CB C 13 40.314 0.3 . 1 . . . . . 130 LEU CB . 27541 1 194 . 1 1 45 45 LEU N N 15 124.910 0.3 . 1 . . . . . 130 LEU N . 27541 1 195 . 1 1 46 46 LYS H H 1 8.942 0.020 . 1 . . . . . 131 LYS H . 27541 1 196 . 1 1 46 46 LYS C C 13 174.737 0.3 . 1 . . . . . 131 LYS C . 27541 1 197 . 1 1 46 46 LYS CA C 13 55.033 0.3 . 1 . . . . . 131 LYS CA . 27541 1 198 . 1 1 46 46 LYS CB C 13 36.002 0.3 . 1 . . . . . 131 LYS CB . 27541 1 199 . 1 1 46 46 LYS N N 15 120.954 0.3 . 1 . . . . . 131 LYS N . 27541 1 200 . 1 1 47 47 ALA H H 1 10.481 0.020 . 1 . . . . . 132 ALA H . 27541 1 201 . 1 1 47 47 ALA C C 13 173.360 0.3 . 1 . . . . . 132 ALA C . 27541 1 202 . 1 1 47 47 ALA CA C 13 51.042 0.3 . 1 . . . . . 132 ALA CA . 27541 1 203 . 1 1 47 47 ALA CB C 13 24.683 0.3 . 1 . . . . . 132 ALA CB . 27541 1 204 . 1 1 47 47 ALA N N 15 122.818 0.3 . 1 . . . . . 132 ALA N . 27541 1 205 . 1 1 48 48 ASN H H 1 8.774 0.020 . 1 . . . . . 133 ASN H . 27541 1 206 . 1 1 48 48 ASN C C 13 172.265 0.3 . 1 . . . . . 133 ASN C . 27541 1 207 . 1 1 48 48 ASN CA C 13 51.010 0.3 . 1 . . . . . 133 ASN CA . 27541 1 208 . 1 1 48 48 ASN N N 15 117.667 0.3 . 1 . . . . . 133 ASN N . 27541 1 209 . 1 1 50 50 SER H H 1 9.565 0.020 . 1 . . . . . 135 SER H . 27541 1 210 . 1 1 50 50 SER C C 13 175.181 0.3 . 1 . . . . . 135 SER C . 27541 1 211 . 1 1 50 50 SER CA C 13 55.851 0.3 . 1 . . . . . 135 SER CA . 27541 1 212 . 1 1 50 50 SER CB C 13 65.902 0.3 . 1 . . . . . 135 SER CB . 27541 1 213 . 1 1 50 50 SER N N 15 114.680 0.3 . 1 . . . . . 135 SER N . 27541 1 214 . 1 1 51 51 VAL H H 1 8.608 0.020 . 1 . . . . . 136 VAL H . 27541 1 215 . 1 1 51 51 VAL C C 13 177.445 0.3 . 1 . . . . . 136 VAL C . 27541 1 216 . 1 1 51 51 VAL N N 15 118.981 0.3 . 1 . . . . . 136 VAL N . 27541 1 217 . 1 1 52 52 ILE H H 1 8.679 0.020 . 1 . . . . . 137 ILE H . 27541 1 218 . 1 1 52 52 ILE C C 13 174.683 0.3 . 1 . . . . . 137 ILE C . 27541 1 219 . 1 1 52 52 ILE CA C 13 59.639 0.3 . 1 . . . . . 137 ILE CA . 27541 1 220 . 1 1 52 52 ILE CB C 13 39.862 0.3 . 1 . . . . . 137 ILE CB . 27541 1 221 . 1 1 52 52 ILE N N 15 123.393 0.3 . 1 . . . . . 137 ILE N . 27541 1 222 . 1 1 53 53 PHE H H 1 8.853 0.020 . 1 . . . . . 138 PHE H . 27541 1 223 . 1 1 53 53 PHE C C 13 175.111 0.3 . 1 . . . . . 138 PHE C . 27541 1 224 . 1 1 53 53 PHE CA C 13 59.402 0.3 . 1 . . . . . 138 PHE CA . 27541 1 225 . 1 1 53 53 PHE CB C 13 35.838 0.3 . 1 . . . . . 138 PHE CB . 27541 1 226 . 1 1 53 53 PHE N N 15 124.301 0.3 . 1 . . . . . 138 PHE N . 27541 1 227 . 1 1 55 55 ARG H H 1 8.253 0.020 . 1 . . . . . 140 ARG H . 27541 1 228 . 1 1 55 55 ARG C C 13 174.553 0.3 . 1 . . . . . 140 ARG C . 27541 1 229 . 1 1 55 55 ARG CA C 13 53.987 0.3 . 1 . . . . . 140 ARG CA . 27541 1 230 . 1 1 55 55 ARG CB C 13 32.528 0.3 . 1 . . . . . 140 ARG CB . 27541 1 231 . 1 1 55 55 ARG N N 15 117.809 0.3 . 1 . . . . . 140 ARG N . 27541 1 232 . 1 1 56 56 LEU H H 1 8.565 0.020 . 1 . . . . . 141 LEU H . 27541 1 233 . 1 1 56 56 LEU C C 13 174.565 0.3 . 1 . . . . . 141 LEU C . 27541 1 234 . 1 1 56 56 LEU CA C 13 57.205 0.3 . 1 . . . . . 141 LEU CA . 27541 1 235 . 1 1 56 56 LEU CB C 13 40.737 0.3 . 1 . . . . . 141 LEU CB . 27541 1 236 . 1 1 56 56 LEU N N 15 122.942 0.3 . 1 . . . . . 141 LEU N . 27541 1 237 . 1 1 62 62 LEU H H 1 8.574 0.020 . 1 . . . . . 147 LEU H . 27541 1 238 . 1 1 62 62 LEU C C 13 175.876 0.3 . 1 . . . . . 147 LEU C . 27541 1 239 . 1 1 62 62 LEU CA C 13 53.606 0.3 . 1 . . . . . 147 LEU CA . 27541 1 240 . 1 1 62 62 LEU CB C 13 45.042 0.3 . 1 . . . . . 147 LEU CB . 27541 1 241 . 1 1 62 62 LEU N N 15 127.520 0.3 . 1 . . . . . 147 LEU N . 27541 1 242 . 1 1 63 63 ARG H H 1 9.525 0.020 . 1 . . . . . 148 ARG H . 27541 1 243 . 1 1 63 63 ARG C C 13 171.567 0.3 . 1 . . . . . 148 ARG C . 27541 1 244 . 1 1 63 63 ARG N N 15 125.019 0.3 . 1 . . . . . 148 ARG N . 27541 1 245 . 1 1 64 64 ALA H H 1 7.756 0.020 . 1 . . . . . 149 ALA H . 27541 1 246 . 1 1 64 64 ALA C C 13 174.791 0.3 . 1 . . . . . 149 ALA C . 27541 1 247 . 1 1 64 64 ALA CA C 13 48.587 0.3 . 1 . . . . . 149 ALA CA . 27541 1 248 . 1 1 64 64 ALA CB C 13 20.671 0.3 . 1 . . . . . 149 ALA CB . 27541 1 249 . 1 1 64 64 ALA N N 15 123.927 0.3 . 1 . . . . . 149 ALA N . 27541 1 250 . 1 1 65 65 PHE H H 1 8.998 0.020 . 1 . . . . . 150 PHE H . 27541 1 251 . 1 1 65 65 PHE C C 13 177.588 0.3 . 1 . . . . . 150 PHE C . 27541 1 252 . 1 1 65 65 PHE CA C 13 55.593 0.3 . 1 . . . . . 150 PHE CA . 27541 1 253 . 1 1 65 65 PHE CB C 13 42.316 0.3 . 1 . . . . . 150 PHE CB . 27541 1 254 . 1 1 65 65 PHE N N 15 120.954 0.3 . 1 . . . . . 150 PHE N . 27541 1 255 . 1 1 66 66 THR H H 1 9.287 0.020 . 1 . . . . . 151 THR H . 27541 1 256 . 1 1 66 66 THR C C 13 177.651 0.3 . 1 . . . . . 151 THR C . 27541 1 257 . 1 1 66 66 THR CA C 13 60.427 0.3 . 1 . . . . . 151 THR CA . 27541 1 258 . 1 1 66 66 THR CB C 13 70.470 0.3 . 1 . . . . . 151 THR CB . 27541 1 259 . 1 1 66 66 THR N N 15 112.003 0.3 . 1 . . . . . 151 THR N . 27541 1 260 . 1 1 67 67 GLU H H 1 9.320 0.020 . 1 . . . . . 152 GLU H . 27541 1 261 . 1 1 67 67 GLU C C 13 177.725 0.3 . 1 . . . . . 152 GLU C . 27541 1 262 . 1 1 67 67 GLU CA C 13 58.955 0.3 . 1 . . . . . 152 GLU CA . 27541 1 263 . 1 1 67 67 GLU CB C 13 28.493 0.3 . 1 . . . . . 152 GLU CB . 27541 1 264 . 1 1 67 67 GLU N N 15 122.910 0.3 . 1 . . . . . 152 GLU N . 27541 1 265 . 1 1 68 68 GLU H H 1 8.185 0.020 . 1 . . . . . 153 GLU H . 27541 1 266 . 1 1 68 68 GLU C C 13 176.842 0.3 . 1 . . . . . 153 GLU C . 27541 1 267 . 1 1 68 68 GLU CA C 13 56.747 0.3 . 1 . . . . . 153 GLU CA . 27541 1 268 . 1 1 68 68 GLU CB C 13 28.211 0.3 . 1 . . . . . 153 GLU CB . 27541 1 269 . 1 1 68 68 GLU N N 15 115.849 0.3 . 1 . . . . . 153 GLU N . 27541 1 270 . 1 1 69 69 GLY H H 1 8.187 0.020 . 1 . . . . . 154 GLY H . 27541 1 271 . 1 1 69 69 GLY C C 13 173.714 0.3 . 1 . . . . . 154 GLY C . 27541 1 272 . 1 1 69 69 GLY CA C 13 44.713 0.3 . 1 . . . . . 154 GLY CA . 27541 1 273 . 1 1 69 69 GLY N N 15 107.910 0.3 . 1 . . . . . 154 GLY N . 27541 1 274 . 1 1 70 70 ALA H H 1 7.291 0.020 . 1 . . . . . 155 ALA H . 27541 1 275 . 1 1 70 70 ALA C C 13 176.698 0.3 . 1 . . . . . 155 ALA C . 27541 1 276 . 1 1 70 70 ALA CA C 13 51.157 0.3 . 1 . . . . . 155 ALA CA . 27541 1 277 . 1 1 70 70 ALA CB C 13 18.300 0.3 . 1 . . . . . 155 ALA CB . 27541 1 278 . 1 1 70 70 ALA N N 15 122.543 0.3 . 1 . . . . . 155 ALA N . 27541 1 279 . 1 1 71 71 ILE H H 1 8.194 0.020 . 1 . . . . . 156 ILE H . 27541 1 280 . 1 1 71 71 ILE C C 13 176.378 0.3 . 1 . . . . . 156 ILE C . 27541 1 281 . 1 1 71 71 ILE CA C 13 60.534 0.3 . 1 . . . . . 156 ILE CA . 27541 1 282 . 1 1 71 71 ILE CB C 13 36.973 0.3 . 1 . . . . . 156 ILE CB . 27541 1 283 . 1 1 71 71 ILE N N 15 122.619 0.3 . 1 . . . . . 156 ILE N . 27541 1 284 . 1 1 72 72 VAL H H 1 8.124 0.020 . 1 . . . . . 157 VAL H . 27541 1 285 . 1 1 72 72 VAL C C 13 175.002 0.3 . 1 . . . . . 157 VAL C . 27541 1 286 . 1 1 72 72 VAL CA C 13 59.982 0.3 . 1 . . . . . 157 VAL CA . 27541 1 287 . 1 1 72 72 VAL CB C 13 33.245 0.3 . 1 . . . . . 157 VAL CB . 27541 1 288 . 1 1 72 72 VAL N N 15 113.749 0.3 . 1 . . . . . 157 VAL N . 27541 1 289 . 1 1 73 73 GLY H H 1 6.785 0.020 . 1 . . . . . 158 GLY H . 27541 1 290 . 1 1 73 73 GLY C C 13 170.912 0.3 . 1 . . . . . 158 GLY C . 27541 1 291 . 1 1 73 73 GLY CA C 13 45.424 0.3 . 1 . . . . . 158 GLY CA . 27541 1 292 . 1 1 73 73 GLY N N 15 106.102 0.3 . 1 . . . . . 158 GLY N . 27541 1 293 . 1 1 74 74 GLU H H 1 9.570 0.020 . 1 . . . . . 159 GLU H . 27541 1 294 . 1 1 74 74 GLU C C 13 174.164 0.3 . 1 . . . . . 159 GLU C . 27541 1 295 . 1 1 74 74 GLU CA C 13 55.320 0.3 . 1 . . . . . 159 GLU CA . 27541 1 296 . 1 1 74 74 GLU CB C 13 36.129 0.3 . 1 . . . . . 159 GLU CB . 27541 1 297 . 1 1 74 74 GLU N N 15 120.510 0.3 . 1 . . . . . 159 GLU N . 27541 1 298 . 1 1 75 75 ILE H H 1 9.054 0.020 . 1 . . . . . 160 ILE H . 27541 1 299 . 1 1 75 75 ILE C C 13 174.129 0.3 . 1 . . . . . 160 ILE C . 27541 1 300 . 1 1 75 75 ILE CA C 13 60.353 0.3 . 1 . . . . . 160 ILE CA . 27541 1 301 . 1 1 75 75 ILE CB C 13 39.807 0.3 . 1 . . . . . 160 ILE CB . 27541 1 302 . 1 1 75 75 ILE N N 15 123.573 0.3 . 1 . . . . . 160 ILE N . 27541 1 303 . 1 1 76 76 SER H H 1 9.020 0.020 . 1 . . . . . 161 SER H . 27541 1 304 . 1 1 76 76 SER C C 13 171.449 0.3 . 1 . . . . . 161 SER C . 27541 1 305 . 1 1 76 76 SER CA C 13 53.598 0.3 . 1 . . . . . 161 SER CA . 27541 1 306 . 1 1 76 76 SER CB C 13 65.072 0.3 . 1 . . . . . 161 SER CB . 27541 1 307 . 1 1 76 76 SER N N 15 119.429 0.3 . 1 . . . . . 161 SER N . 27541 1 308 . 1 1 80 80 SER H H 1 7.621 0.020 . 1 . . . . . 165 SER H . 27541 1 309 . 1 1 80 80 SER C C 13 172.773 0.3 . 1 . . . . . 165 SER C . 27541 1 310 . 1 1 80 80 SER CA C 13 57.031 0.3 . 1 . . . . . 165 SER CA . 27541 1 311 . 1 1 80 80 SER CB C 13 64.518 0.3 . 1 . . . . . 165 SER CB . 27541 1 312 . 1 1 80 80 SER N N 15 115.483 0.3 . 1 . . . . . 165 SER N . 27541 1 313 . 1 1 81 81 LEU H H 1 8.254 0.020 . 1 . . . . . 166 LEU H . 27541 1 314 . 1 1 81 81 LEU C C 13 175.957 0.3 . 1 . . . . . 166 LEU C . 27541 1 315 . 1 1 81 81 LEU CA C 13 52.151 0.3 . 1 . . . . . 166 LEU CA . 27541 1 316 . 1 1 81 81 LEU CB C 13 41.344 0.3 . 1 . . . . . 166 LEU CB . 27541 1 317 . 1 1 81 81 LEU N N 15 122.052 0.3 . 1 . . . . . 166 LEU N . 27541 1 318 . 1 1 83 83 GLY H H 1 8.582 0.020 . 1 . . . . . 168 GLY H . 27541 1 319 . 1 1 83 83 GLY C C 13 173.753 0.3 . 1 . . . . . 168 GLY C . 27541 1 320 . 1 1 83 83 GLY CA C 13 44.121 0.3 . 1 . . . . . 168 GLY CA . 27541 1 321 . 1 1 83 83 GLY N N 15 109.820 0.3 . 1 . . . . . 168 GLY N . 27541 1 322 . 1 1 84 84 HIS H H 1 7.968 0.020 . 1 . . . . . 169 HIS H . 27541 1 323 . 1 1 84 84 HIS C C 13 174.647 0.3 . 1 . . . . . 169 HIS C . 27541 1 324 . 1 1 84 84 HIS CA C 13 56.167 0.3 . 1 . . . . . 169 HIS CA . 27541 1 325 . 1 1 84 84 HIS CB C 13 29.574 0.3 . 1 . . . . . 169 HIS CB . 27541 1 326 . 1 1 84 84 HIS N N 15 117.254 0.3 . 1 . . . . . 169 HIS N . 27541 1 327 . 1 1 85 85 THR H H 1 9.530 0.020 . 1 . . . . . 170 THR H . 27541 1 328 . 1 1 85 85 THR C C 13 176.022 0.3 . 1 . . . . . 170 THR C . 27541 1 329 . 1 1 85 85 THR CA C 13 59.317 0.3 . 1 . . . . . 170 THR CA . 27541 1 330 . 1 1 85 85 THR CB C 13 72.787 0.3 . 1 . . . . . 170 THR CB . 27541 1 331 . 1 1 85 85 THR N N 15 111.185 0.3 . 1 . . . . . 170 THR N . 27541 1 332 . 1 1 86 86 ASP H H 1 9.147 0.020 . 1 . . . . . 171 ASP H . 27541 1 333 . 1 1 86 86 ASP C C 13 178.193 0.3 . 1 . . . . . 171 ASP C . 27541 1 334 . 1 1 86 86 ASP CA C 13 56.910 0.3 . 1 . . . . . 171 ASP CA . 27541 1 335 . 1 1 86 86 ASP CB C 13 38.627 0.3 . 1 . . . . . 171 ASP CB . 27541 1 336 . 1 1 86 86 ASP N N 15 120.094 0.3 . 1 . . . . . 171 ASP N . 27541 1 337 . 1 1 87 87 LYS H H 1 7.892 0.020 . 1 . . . . . 172 LYS H . 27541 1 338 . 1 1 87 87 LYS CA C 13 58.466 0.3 . 1 . . . . . 172 LYS CA . 27541 1 339 . 1 1 87 87 LYS CB C 13 31.085 0.3 . 1 . . . . . 172 LYS CB . 27541 1 340 . 1 1 87 87 LYS N N 15 121.741 0.3 . 1 . . . . . 172 LYS N . 27541 1 341 . 1 1 88 88 ASP H H 1 7.516 0.020 . 1 . . . . . 173 ASP H . 27541 1 342 . 1 1 88 88 ASP C C 13 178.780 0.3 . 1 . . . . . 173 ASP C . 27541 1 343 . 1 1 88 88 ASP CA C 13 57.035 0.3 . 1 . . . . . 173 ASP CA . 27541 1 344 . 1 1 88 88 ASP CB C 13 40.975 0.3 . 1 . . . . . 173 ASP CB . 27541 1 345 . 1 1 88 88 ASP N N 15 118.777 0.3 . 1 . . . . . 173 ASP N . 27541 1 346 . 1 1 89 89 VAL H H 1 7.839 0.020 . 1 . . . . . 174 VAL H . 27541 1 347 . 1 1 89 89 VAL CA C 13 66.462 0.3 . 1 . . . . . 174 VAL CA . 27541 1 348 . 1 1 89 89 VAL CB C 13 30.391 0.3 . 1 . . . . . 174 VAL CB . 27541 1 349 . 1 1 89 89 VAL N N 15 120.059 0.3 . 1 . . . . . 174 VAL N . 27541 1 350 . 1 1 91 91 ASN H H 1 7.949 0.020 . 1 . . . . . 176 ASN H . 27541 1 351 . 1 1 91 91 ASN C C 13 177.212 0.3 . 1 . . . . . 176 ASN C . 27541 1 352 . 1 1 91 91 ASN CA C 13 55.469 0.3 . 1 . . . . . 176 ASN CA . 27541 1 353 . 1 1 91 91 ASN CB C 13 37.872 0.3 . 1 . . . . . 176 ASN CB . 27541 1 354 . 1 1 91 91 ASN N N 15 115.886 0.3 . 1 . . . . . 176 ASN N . 27541 1 355 . 1 1 92 92 ALA H H 1 8.299 0.020 . 1 . . . . . 177 ALA H . 27541 1 356 . 1 1 92 92 ALA C C 13 178.690 0.3 . 1 . . . . . 177 ALA C . 27541 1 357 . 1 1 92 92 ALA CA C 13 54.721 0.3 . 1 . . . . . 177 ALA CA . 27541 1 358 . 1 1 92 92 ALA CB C 13 18.424 0.3 . 1 . . . . . 177 ALA CB . 27541 1 359 . 1 1 92 92 ALA N N 15 121.527 0.3 . 1 . . . . . 177 ALA N . 27541 1 360 . 1 1 95 95 ILE H H 1 7.880 0.020 . 1 . . . . . 180 ILE H . 27541 1 361 . 1 1 95 95 ILE C C 13 178.753 0.3 . 1 . . . . . 180 ILE C . 27541 1 362 . 1 1 95 95 ILE CB C 13 36.914 0.3 . 1 . . . . . 180 ILE CB . 27541 1 363 . 1 1 95 95 ILE N N 15 121.081 0.3 . 1 . . . . . 180 ILE N . 27541 1 364 . 1 1 96 96 LEU H H 1 8.034 0.020 . 1 . . . . . 181 LEU H . 27541 1 365 . 1 1 96 96 LEU C C 13 177.678 0.3 . 1 . . . . . 181 LEU C . 27541 1 366 . 1 1 96 96 LEU CA C 13 57.591 0.3 . 1 . . . . . 181 LEU CA . 27541 1 367 . 1 1 96 96 LEU CB C 13 41.421 0.3 . 1 . . . . . 181 LEU CB . 27541 1 368 . 1 1 96 96 LEU N N 15 123.046 0.3 . 1 . . . . . 181 LEU N . 27541 1 369 . 1 1 97 97 ILE H H 1 9.063 0.020 . 1 . . . . . 182 ILE H . 27541 1 370 . 1 1 97 97 ILE C C 13 178.415 0.3 . 1 . . . . . 182 ILE C . 27541 1 371 . 1 1 97 97 ILE CA C 13 66.884 0.3 . 1 . . . . . 182 ILE CA . 27541 1 372 . 1 1 97 97 ILE CB C 13 37.025 0.3 . 1 . . . . . 182 ILE CB . 27541 1 373 . 1 1 97 97 ILE N N 15 117.449 0.3 . 1 . . . . . 182 ILE N . 27541 1 374 . 1 1 98 98 GLY H H 1 8.253 0.020 . 1 . . . . . 183 GLY H . 27541 1 375 . 1 1 98 98 GLY C C 13 177.400 0.3 . 1 . . . . . 183 GLY C . 27541 1 376 . 1 1 98 98 GLY CA C 13 46.450 0.3 . 1 . . . . . 183 GLY CA . 27541 1 377 . 1 1 98 98 GLY N N 15 105.010 0.3 . 1 . . . . . 183 GLY N . 27541 1 378 . 1 1 99 99 GLY H H 1 8.151 0.020 . 1 . . . . . 184 GLY H . 27541 1 379 . 1 1 99 99 GLY C C 13 176.505 0.3 . 1 . . . . . 184 GLY C . 27541 1 380 . 1 1 99 99 GLY CA C 13 46.386 0.3 . 1 . . . . . 184 GLY CA . 27541 1 381 . 1 1 99 99 GLY N N 15 109.485 0.3 . 1 . . . . . 184 GLY N . 27541 1 382 . 1 1 101 101 GLU H H 1 9.528 0.020 . 1 . . . . . 186 GLU H . 27541 1 383 . 1 1 101 101 GLU C C 13 180.092 0.3 . 1 . . . . . 186 GLU C . 27541 1 384 . 1 1 101 101 GLU CA C 13 59.624 0.3 . 1 . . . . . 186 GLU CA . 27541 1 385 . 1 1 101 101 GLU CB C 13 28.327 0.3 . 1 . . . . . 186 GLU CB . 27541 1 386 . 1 1 101 101 GLU N N 15 123.145 0.3 . 1 . . . . . 186 GLU N . 27541 1 387 . 1 1 102 102 ALA H H 1 7.846 0.020 . 1 . . . . . 187 ALA H . 27541 1 388 . 1 1 102 102 ALA C C 13 177.691 0.3 . 1 . . . . . 187 ALA C . 27541 1 389 . 1 1 102 102 ALA CA C 13 53.878 0.3 . 1 . . . . . 187 ALA CA . 27541 1 390 . 1 1 102 102 ALA CB C 13 17.064 0.3 . 1 . . . . . 187 ALA CB . 27541 1 391 . 1 1 102 102 ALA N N 15 121.964 0.3 . 1 . . . . . 187 ALA N . 27541 1 392 . 1 1 103 103 ASN H H 1 7.067 0.020 . 1 . . . . . 188 ASN H . 27541 1 393 . 1 1 103 103 ASN C C 13 172.930 0.3 . 1 . . . . . 188 ASN C . 27541 1 394 . 1 1 103 103 ASN CA C 13 51.306 0.3 . 1 . . . . . 188 ASN CA . 27541 1 395 . 1 1 103 103 ASN CB C 13 38.148 0.3 . 1 . . . . . 188 ASN CB . 27541 1 396 . 1 1 103 103 ASN N N 15 116.439 0.3 . 1 . . . . . 188 ASN N . 27541 1 397 . 1 1 104 104 ASP H H 1 7.817 0.020 . 1 . . . . . 189 ASP H . 27541 1 398 . 1 1 104 104 ASP C C 13 175.051 0.3 . 1 . . . . . 189 ASP C . 27541 1 399 . 1 1 104 104 ASP CA C 13 55.802 0.3 . 1 . . . . . 189 ASP CA . 27541 1 400 . 1 1 104 104 ASP CB C 13 37.863 0.3 . 1 . . . . . 189 ASP CB . 27541 1 401 . 1 1 104 104 ASP N N 15 111.268 0.3 . 1 . . . . . 189 ASP N . 27541 1 402 . 1 1 105 105 ASN H H 1 7.322 0.020 . 1 . . . . . 190 ASN H . 27541 1 403 . 1 1 105 105 ASN C C 13 175.347 0.3 . 1 . . . . . 190 ASN C . 27541 1 404 . 1 1 105 105 ASN CA C 13 52.361 0.3 . 1 . . . . . 190 ASN CA . 27541 1 405 . 1 1 105 105 ASN CB C 13 40.316 0.3 . 1 . . . . . 190 ASN CB . 27541 1 406 . 1 1 105 105 ASN N N 15 112.496 0.3 . 1 . . . . . 190 ASN N . 27541 1 407 . 1 1 106 106 THR H H 1 8.638 0.020 . 1 . . . . . 191 THR H . 27541 1 408 . 1 1 106 106 THR C C 13 173.754 0.3 . 1 . . . . . 191 THR C . 27541 1 409 . 1 1 106 106 THR CA C 13 61.325 0.3 . 1 . . . . . 191 THR CA . 27541 1 410 . 1 1 106 106 THR CB C 13 69.603 0.3 . 1 . . . . . 191 THR CB . 27541 1 411 . 1 1 106 106 THR N N 15 116.927 0.3 . 1 . . . . . 191 THR N . 27541 1 412 . 1 1 107 107 VAL H H 1 9.294 0.020 . 1 . . . . . 192 VAL H . 27541 1 413 . 1 1 107 107 VAL C C 13 174.741 0.3 . 1 . . . . . 192 VAL C . 27541 1 414 . 1 1 107 107 VAL CA C 13 60.441 0.3 . 1 . . . . . 192 VAL CA . 27541 1 415 . 1 1 107 107 VAL CB C 13 32.440 0.3 . 1 . . . . . 192 VAL CB . 27541 1 416 . 1 1 107 107 VAL N N 15 125.567 0.3 . 1 . . . . . 192 VAL N . 27541 1 417 . 1 1 108 108 ARG H H 1 9.133 0.020 . 1 . . . . . 193 ARG H . 27541 1 418 . 1 1 108 108 ARG C C 13 174.830 0.3 . 1 . . . . . 193 ARG C . 27541 1 419 . 1 1 108 108 ARG CA C 13 53.353 0.3 . 1 . . . . . 193 ARG CA . 27541 1 420 . 1 1 108 108 ARG CB C 13 31.892 0.3 . 1 . . . . . 193 ARG CB . 27541 1 421 . 1 1 108 108 ARG N N 15 127.322 0.3 . 1 . . . . . 193 ARG N . 27541 1 422 . 1 1 109 109 VAL H H 1 8.712 0.020 . 1 . . . . . 194 VAL H . 27541 1 423 . 1 1 109 109 VAL C C 13 175.903 0.3 . 1 . . . . . 194 VAL C . 27541 1 424 . 1 1 109 109 VAL N N 15 118.603 0.3 . 1 . . . . . 194 VAL N . 27541 1 425 . 1 1 110 110 SER H H 1 7.890 0.020 . 1 . . . . . 195 SER H . 27541 1 426 . 1 1 110 110 SER CA C 13 57.876 0.3 . 1 . . . . . 195 SER CA . 27541 1 427 . 1 1 110 110 SER CB C 13 63.897 0.3 . 1 . . . . . 195 SER CB . 27541 1 428 . 1 1 110 110 SER N N 15 120.520 0.3 . 1 . . . . . 195 SER N . 27541 1 429 . 1 1 111 111 GLU H H 1 9.082 0.020 . 1 . . . . . 196 GLU H . 27541 1 430 . 1 1 111 111 GLU C C 13 179.079 0.3 . 1 . . . . . 196 GLU C . 27541 1 431 . 1 1 111 111 GLU CA C 13 59.310 0.3 . 1 . . . . . 196 GLU CA . 27541 1 432 . 1 1 111 111 GLU CB C 13 28.562 0.3 . 1 . . . . . 196 GLU CB . 27541 1 433 . 1 1 111 111 GLU N N 15 121.520 0.3 . 1 . . . . . 196 GLU N . 27541 1 434 . 1 1 112 112 THR H H 1 8.187 0.020 . 1 . . . . . 197 THR H . 27541 1 435 . 1 1 112 112 THR N N 15 112.987 0.3 . 1 . . . . . 197 THR N . 27541 1 436 . 1 1 119 119 ARG H H 1 7.681 0.020 . 1 . . . . . 204 ARG H . 27541 1 437 . 1 1 119 119 ARG C C 13 175.347 0.3 . 1 . . . . . 204 ARG C . 27541 1 438 . 1 1 119 119 ARG CA C 13 55.419 0.3 . 1 . . . . . 204 ARG CA . 27541 1 439 . 1 1 119 119 ARG CB C 13 29.599 0.3 . 1 . . . . . 204 ARG CB . 27541 1 440 . 1 1 119 119 ARG N N 15 120.892 0.3 . 1 . . . . . 204 ARG N . 27541 1 441 . 1 1 120 120 SER H H 1 7.860 0.020 . 1 . . . . . 205 SER H . 27541 1 442 . 1 1 120 120 SER C C 13 178.711 0.3 . 1 . . . . . 205 SER C . 27541 1 443 . 1 1 120 120 SER CA C 13 59.605 0.3 . 1 . . . . . 205 SER CA . 27541 1 444 . 1 1 120 120 SER CB C 13 64.499 0.3 . 1 . . . . . 205 SER CB . 27541 1 445 . 1 1 120 120 SER N N 15 122.203 0.3 . 1 . . . . . 205 SER N . 27541 1 stop_ save_