################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52788 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'BRD2-BD1 R100Y V106I G109N triple mutant' _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 $chem_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' . . . 52788 1 2 '3D CBCA(CO)NH' . . . 52788 1 3 '3D HNCA' . . . 52788 1 4 '3D HNCACB' . . . 52788 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52788 1 2 $software_2 . . 52788 1 3 $software_3 . . 52788 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO CA C 13 63.045 0.000 . 1 . . . . . 2 P CA . 52788 1 2 . 1 . 1 2 2 PRO CB C 13 32.195 0.000 . 1 . . . . . 2 P CB . 52788 1 3 . 1 . 1 3 3 LEU H H 1 8.467 0.000 . 1 . . . . . 3 L H . 52788 1 4 . 1 . 1 3 3 LEU CA C 13 55.415 0.000 . 1 . . . . . 3 L CA . 52788 1 5 . 1 . 1 3 3 LEU CB C 13 42.324 0.000 . 1 . . . . . 3 L CB . 52788 1 6 . 1 . 1 3 3 LEU N N 15 122.426 0.000 . 1 . . . . . 3 L N . 52788 1 7 . 1 . 1 4 4 GLY H H 1 8.390 0.000 . 1 . . . . . 4 G H . 52788 1 8 . 1 . 1 4 4 GLY CA C 13 45.302 0.000 . 1 . . . . . 4 G CA . 52788 1 9 . 1 . 1 4 4 GLY N N 15 110.131 0.000 . 1 . . . . . 4 G N . 52788 1 10 . 1 . 1 5 5 SER H H 1 8.080 0.000 . 1 . . . . . 5 S H . 52788 1 11 . 1 . 1 5 5 SER CA C 13 58.425 0.000 . 1 . . . . . 5 S CA . 52788 1 12 . 1 . 1 5 5 SER CB C 13 63.946 0.000 . 1 . . . . . 5 S CB . 52788 1 13 . 1 . 1 5 5 SER N N 15 115.458 0.000 . 1 . . . . . 5 S N . 52788 1 14 . 1 . 1 6 6 GLU H H 1 8.553 0.000 . 1 . . . . . 6 E H . 52788 1 15 . 1 . 1 6 6 GLU CA C 13 56.865 0.000 . 1 . . . . . 6 E CA . 52788 1 16 . 1 . 1 6 6 GLU CB C 13 29.951 0.000 . 1 . . . . . 6 E CB . 52788 1 17 . 1 . 1 6 6 GLU N N 15 122.711 0.000 . 1 . . . . . 6 E N . 52788 1 18 . 1 . 1 7 7 VAL H H 1 8.101 0.000 . 1 . . . . . 7 V H . 52788 1 19 . 1 . 1 7 7 VAL CA C 13 62.121 0.000 . 1 . . . . . 7 V CA . 52788 1 20 . 1 . 1 7 7 VAL CB C 13 32.544 0.000 . 1 . . . . . 7 V CB . 52788 1 21 . 1 . 1 7 7 VAL N N 15 118.725 0.000 . 1 . . . . . 7 V N . 52788 1 22 . 1 . 1 8 8 SER H H 1 8.011 0.000 . 1 . . . . . 8 S H . 52788 1 23 . 1 . 1 8 8 SER CA C 13 57.968 0.000 . 1 . . . . . 8 S CA . 52788 1 24 . 1 . 1 8 8 SER CB C 13 63.991 0.000 . 1 . . . . . 8 S CB . 52788 1 25 . 1 . 1 8 8 SER N N 15 117.719 0.000 . 1 . . . . . 8 S N . 52788 1 26 . 1 . 1 10 10 PRO CA C 13 63.389 0.000 . 1 . . . . . 10 P CA . 52788 1 27 . 1 . 1 10 10 PRO CB C 13 32.012 0.000 . 1 . . . . . 10 P CB . 52788 1 28 . 1 . 1 11 11 LYS H H 1 8.132 0.000 . 1 . . . . . 11 K H . 52788 1 29 . 1 . 1 11 11 LYS CA C 13 56.045 0.000 . 1 . . . . . 11 K CA . 52788 1 30 . 1 . 1 11 11 LYS CB C 13 32.923 0.000 . 1 . . . . . 11 K CB . 52788 1 31 . 1 . 1 11 11 LYS N N 15 120.567 0.000 . 1 . . . . . 11 K N . 52788 1 32 . 1 . 1 12 12 LYS H H 1 7.978 0.000 . 1 . . . . . 12 K H . 52788 1 33 . 1 . 1 12 12 LYS CA C 13 54.108 0.000 . 1 . . . . . 12 K CA . 52788 1 34 . 1 . 1 12 12 LYS N N 15 124.653 0.000 . 1 . . . . . 12 K N . 52788 1 35 . 1 . 1 13 13 PRO CA C 13 63.539 0.000 . 1 . . . . . 13 P CA . 52788 1 36 . 1 . 1 13 13 PRO CB C 13 32.361 0.000 . 1 . . . . . 13 P CB . 52788 1 37 . 1 . 1 14 14 GLY H H 1 7.827 0.000 . 1 . . . . . 14 G H . 52788 1 38 . 1 . 1 14 14 GLY CA C 13 44.440 0.000 . 1 . . . . . 14 G CA . 52788 1 39 . 1 . 1 14 14 GLY N N 15 108.382 0.000 . 1 . . . . . 14 G N . 52788 1 40 . 1 . 1 15 15 ARG H H 1 8.415 0.000 . 1 . . . . . 15 R H . 52788 1 41 . 1 . 1 15 15 ARG CA C 13 54.795 0.000 . 1 . . . . . 15 R CA . 52788 1 42 . 1 . 1 15 15 ARG CB C 13 33.748 0.000 . 1 . . . . . 15 R CB . 52788 1 43 . 1 . 1 15 15 ARG N N 15 116.837 0.000 . 1 . . . . . 15 R N . 52788 1 44 . 1 . 1 16 16 VAL H H 1 8.272 0.000 . 1 . . . . . 16 V H . 52788 1 45 . 1 . 1 16 16 VAL CA C 13 62.711 0.000 . 1 . . . . . 16 V CA . 52788 1 46 . 1 . 1 16 16 VAL CB C 13 32.633 0.000 . 1 . . . . . 16 V CB . 52788 1 47 . 1 . 1 16 16 VAL N N 15 116.695 0.000 . 1 . . . . . 16 V N . 52788 1 48 . 1 . 1 17 17 THR H H 1 6.503 0.000 . 1 . . . . . 17 T H . 52788 1 49 . 1 . 1 17 17 THR CA C 13 57.728 0.000 . 1 . . . . . 17 T CA . 52788 1 50 . 1 . 1 17 17 THR CB C 13 72.742 0.000 . 1 . . . . . 17 T CB . 52788 1 51 . 1 . 1 17 17 THR N N 15 113.525 0.000 . 1 . . . . . 17 T N . 52788 1 52 . 1 . 1 18 18 ASN H H 1 9.355 0.000 . 1 . . . . . 18 N H . 52788 1 53 . 1 . 1 18 18 ASN CA C 13 56.584 0.000 . 1 . . . . . 18 N CA . 52788 1 54 . 1 . 1 18 18 ASN CB C 13 35.477 0.000 . 1 . . . . . 18 N CB . 52788 1 55 . 1 . 1 18 18 ASN N N 15 121.434 0.000 . 1 . . . . . 18 N N . 52788 1 56 . 1 . 1 19 19 GLN H H 1 7.945 0.000 . 1 . . . . . 19 Q H . 52788 1 57 . 1 . 1 19 19 GLN CA C 13 59.842 0.000 . 1 . . . . . 19 Q CA . 52788 1 58 . 1 . 1 19 19 GLN CB C 13 29.830 0.000 . 1 . . . . . 19 Q CB . 52788 1 59 . 1 . 1 19 19 GLN N N 15 123.450 0.000 . 1 . . . . . 19 Q N . 52788 1 60 . 1 . 1 20 20 LEU H H 1 8.044 0.000 . 1 . . . . . 20 L H . 52788 1 61 . 1 . 1 20 20 LEU CA C 13 59.182 0.000 . 1 . . . . . 20 L CA . 52788 1 62 . 1 . 1 20 20 LEU CB C 13 42.669 0.000 . 1 . . . . . 20 L CB . 52788 1 63 . 1 . 1 20 20 LEU N N 15 121.594 0.000 . 1 . . . . . 20 L N . 52788 1 64 . 1 . 1 21 21 GLN H H 1 8.791 0.000 . 1 . . . . . 21 Q H . 52788 1 65 . 1 . 1 21 21 GLN CA C 13 59.575 0.000 . 1 . . . . . 21 Q CA . 52788 1 66 . 1 . 1 21 21 GLN CB C 13 29.426 0.000 . 1 . . . . . 21 Q CB . 52788 1 67 . 1 . 1 21 21 GLN N N 15 118.788 0.000 . 1 . . . . . 21 Q N . 52788 1 68 . 1 . 1 22 22 TYR H H 1 7.781 0.000 . 1 . . . . . 22 Y H . 52788 1 69 . 1 . 1 22 22 TYR CA C 13 62.074 0.000 . 1 . . . . . 22 Y CA . 52788 1 70 . 1 . 1 22 22 TYR CB C 13 38.863 0.000 . 1 . . . . . 22 Y CB . 52788 1 71 . 1 . 1 22 22 TYR N N 15 121.338 0.000 . 1 . . . . . 22 Y N . 52788 1 72 . 1 . 1 23 23 LEU H H 1 8.739 0.000 . 1 . . . . . 23 L H . 52788 1 73 . 1 . 1 23 23 LEU CA C 13 58.451 0.000 . 1 . . . . . 23 L CA . 52788 1 74 . 1 . 1 23 23 LEU CB C 13 41.908 0.000 . 1 . . . . . 23 L CB . 52788 1 75 . 1 . 1 23 23 LEU N N 15 121.442 0.000 . 1 . . . . . 23 L N . 52788 1 76 . 1 . 1 24 24 HIS H H 1 8.256 0.000 . 1 . . . . . 24 H H . 52788 1 77 . 1 . 1 24 24 HIS CA C 13 58.342 0.000 . 1 . . . . . 24 H CA . 52788 1 78 . 1 . 1 24 24 HIS CB C 13 33.502 0.000 . 1 . . . . . 24 H CB . 52788 1 79 . 1 . 1 24 24 HIS N N 15 117.810 0.000 . 1 . . . . . 24 H N . 52788 1 80 . 1 . 1 25 25 LYS H H 1 9.059 0.000 . 1 . . . . . 25 K H . 52788 1 81 . 1 . 1 25 25 LYS CA C 13 57.943 0.000 . 1 . . . . . 25 K CA . 52788 1 82 . 1 . 1 25 25 LYS CB C 13 32.806 0.000 . 1 . . . . . 25 K CB . 52788 1 83 . 1 . 1 25 25 LYS N N 15 114.608 0.000 . 1 . . . . . 25 K N . 52788 1 84 . 1 . 1 26 26 VAL H H 1 7.898 0.000 . 1 . . . . . 26 V H . 52788 1 85 . 1 . 1 26 26 VAL CA C 13 64.108 0.000 . 1 . . . . . 26 V CA . 52788 1 86 . 1 . 1 26 26 VAL CB C 13 31.921 0.000 . 1 . . . . . 26 V CB . 52788 1 87 . 1 . 1 26 26 VAL N N 15 115.519 0.000 . 1 . . . . . 26 V N . 52788 1 88 . 1 . 1 27 27 VAL H H 1 7.360 0.000 . 1 . . . . . 27 V H . 52788 1 89 . 1 . 1 27 27 VAL CA C 13 68.122 0.000 . 1 . . . . . 27 V CA . 52788 1 90 . 1 . 1 27 27 VAL CB C 13 30.647 0.000 . 1 . . . . . 27 V CB . 52788 1 91 . 1 . 1 27 27 VAL N N 15 119.365 0.000 . 1 . . . . . 27 V N . 52788 1 92 . 1 . 1 28 28 MET H H 1 9.221 0.000 . 1 . . . . . 28 M H . 52788 1 93 . 1 . 1 28 28 MET CA C 13 57.790 0.000 . 1 . . . . . 28 M CA . 52788 1 94 . 1 . 1 28 28 MET CB C 13 31.012 0.000 . 1 . . . . . 28 M CB . 52788 1 95 . 1 . 1 28 28 MET N N 15 117.462 0.000 . 1 . . . . . 28 M N . 52788 1 96 . 1 . 1 29 29 LYS H H 1 6.117 0.000 . 1 . . . . . 29 K H . 52788 1 97 . 1 . 1 29 29 LYS CA C 13 59.216 0.000 . 1 . . . . . 29 K CA . 52788 1 98 . 1 . 1 29 29 LYS CB C 13 32.716 0.000 . 1 . . . . . 29 K CB . 52788 1 99 . 1 . 1 29 29 LYS N N 15 115.373 0.000 . 1 . . . . . 29 K N . 52788 1 100 . 1 . 1 30 30 ALA H H 1 7.036 0.000 . 1 . . . . . 30 A H . 52788 1 101 . 1 . 1 30 30 ALA CA C 13 54.529 0.000 . 1 . . . . . 30 A CA . 52788 1 102 . 1 . 1 30 30 ALA CB C 13 18.328 0.000 . 1 . . . . . 30 A CB . 52788 1 103 . 1 . 1 30 30 ALA N N 15 118.047 0.000 . 1 . . . . . 30 A N . 52788 1 104 . 1 . 1 31 31 LEU H H 1 8.140 0.000 . 1 . . . . . 31 L H . 52788 1 105 . 1 . 1 31 31 LEU CA C 13 57.857 0.000 . 1 . . . . . 31 L CA . 52788 1 106 . 1 . 1 31 31 LEU CB C 13 42.541 0.000 . 1 . . . . . 31 L CB . 52788 1 107 . 1 . 1 31 31 LEU N N 15 116.550 0.000 . 1 . . . . . 31 L N . 52788 1 108 . 1 . 1 32 32 TRP H H 1 8.903 0.000 . 1 . . . . . 32 W H . 52788 1 109 . 1 . 1 32 32 TRP CA C 13 60.909 0.000 . 1 . . . . . 32 W CA . 52788 1 110 . 1 . 1 32 32 TRP CB C 13 29.151 0.000 . 1 . . . . . 32 W CB . 52788 1 111 . 1 . 1 32 32 TRP N N 15 116.771 0.000 . 1 . . . . . 32 W N . 52788 1 112 . 1 . 1 33 33 LYS H H 1 7.110 0.000 . 1 . . . . . 33 K H . 52788 1 113 . 1 . 1 33 33 LYS CA C 13 55.716 0.000 . 1 . . . . . 33 K CA . 52788 1 114 . 1 . 1 33 33 LYS CB C 13 32.726 0.000 . 1 . . . . . 33 K CB . 52788 1 115 . 1 . 1 33 33 LYS N N 15 110.417 0.000 . 1 . . . . . 33 K N . 52788 1 116 . 1 . 1 34 34 HIS H H 1 7.613 0.000 . 1 . . . . . 34 H H . 52788 1 117 . 1 . 1 34 34 HIS CA C 13 59.641 0.000 . 1 . . . . . 34 H CA . 52788 1 118 . 1 . 1 34 34 HIS CB C 13 31.938 0.000 . 1 . . . . . 34 H CB . 52788 1 119 . 1 . 1 34 34 HIS N N 15 123.454 0.000 . 1 . . . . . 34 H N . 52788 1 120 . 1 . 1 35 35 GLN H H 1 8.352 0.000 . 1 . . . . . 35 Q H . 52788 1 121 . 1 . 1 35 35 GLN CA C 13 58.765 0.000 . 1 . . . . . 35 Q CA . 52788 1 122 . 1 . 1 35 35 GLN CB C 13 28.054 0.000 . 1 . . . . . 35 Q CB . 52788 1 123 . 1 . 1 35 35 GLN N N 15 128.054 0.000 . 1 . . . . . 35 Q N . 52788 1 124 . 1 . 1 36 36 PHE CA C 13 53.051 0.000 . 1 . . . . . 36 F CA . 52788 1 125 . 1 . 1 36 36 PHE CB C 13 37.365 0.000 . 1 . . . . . 36 F CB . 52788 1 126 . 1 . 1 37 37 ALA H H 1 7.795 0.000 . 1 . . . . . 37 A H . 52788 1 127 . 1 . 1 37 37 ALA CA C 13 54.359 0.000 . 1 . . . . . 37 A CA . 52788 1 128 . 1 . 1 37 37 ALA CB C 13 20.563 0.000 . 1 . . . . . 37 A CB . 52788 1 129 . 1 . 1 37 37 ALA N N 15 117.219 0.000 . 1 . . . . . 37 A N . 52788 1 130 . 1 . 1 38 38 TRP H H 1 6.810 0.000 . 1 . . . . . 38 W H . 52788 1 131 . 1 . 1 38 38 TRP CA C 13 59.064 0.000 . 1 . . . . . 38 W CA . 52788 1 132 . 1 . 1 38 38 TRP CB C 13 27.294 0.000 . 1 . . . . . 38 W CB . 52788 1 133 . 1 . 1 38 38 TRP N N 15 114.884 0.000 . 1 . . . . . 38 W N . 52788 1 134 . 1 . 1 39 39 PRO CA C 13 64.558 0.000 . 1 . . . . . 39 P CA . 52788 1 135 . 1 . 1 39 39 PRO CB C 13 30.430 0.000 . 1 . . . . . 39 P CB . 52788 1 136 . 1 . 1 40 40 PHE H H 1 7.907 0.000 . 1 . . . . . 40 F H . 52788 1 137 . 1 . 1 40 40 PHE CA C 13 56.716 0.000 . 1 . . . . . 40 F CA . 52788 1 138 . 1 . 1 40 40 PHE CB C 13 39.104 0.000 . 1 . . . . . 40 F CB . 52788 1 139 . 1 . 1 40 40 PHE N N 15 112.194 0.000 . 1 . . . . . 40 F N . 52788 1 140 . 1 . 1 41 41 TYR H H 1 7.070 0.000 . 1 . . . . . 41 Y H . 52788 1 141 . 1 . 1 41 41 TYR CA C 13 57.229 0.000 . 1 . . . . . 41 Y CA . 52788 1 142 . 1 . 1 41 41 TYR CB C 13 37.875 0.000 . 1 . . . . . 41 Y CB . 52788 1 143 . 1 . 1 41 41 TYR N N 15 118.054 0.000 . 1 . . . . . 41 Y N . 52788 1 144 . 1 . 1 42 42 GLN H H 1 7.409 0.000 . 1 . . . . . 42 Q H . 52788 1 145 . 1 . 1 42 42 GLN CA C 13 52.797 0.000 . 1 . . . . . 42 Q CA . 52788 1 146 . 1 . 1 42 42 GLN CB C 13 29.713 0.000 . 1 . . . . . 42 Q CB . 52788 1 147 . 1 . 1 42 42 GLN N N 15 112.779 0.000 . 1 . . . . . 42 Q N . 52788 1 148 . 1 . 1 43 43 PRO CA C 13 62.733 0.000 . 1 . . . . . 43 P CA . 52788 1 149 . 1 . 1 43 43 PRO CB C 13 32.346 0.000 . 1 . . . . . 43 P CB . 52788 1 150 . 1 . 1 44 44 VAL H H 1 8.533 0.000 . 1 . . . . . 44 V H . 52788 1 151 . 1 . 1 44 44 VAL CA C 13 64.525 0.000 . 1 . . . . . 44 V CA . 52788 1 152 . 1 . 1 44 44 VAL CB C 13 32.271 0.000 . 1 . . . . . 44 V CB . 52788 1 153 . 1 . 1 44 44 VAL N N 15 125.171 0.000 . 1 . . . . . 44 V N . 52788 1 154 . 1 . 1 45 45 ASP H H 1 7.871 0.000 . 1 . . . . . 45 D H . 52788 1 155 . 1 . 1 45 45 ASP CA C 13 52.024 0.000 . 1 . . . . . 45 D CA . 52788 1 156 . 1 . 1 45 45 ASP CB C 13 40.283 0.000 . 1 . . . . . 45 D CB . 52788 1 157 . 1 . 1 45 45 ASP N N 15 128.814 0.000 . 1 . . . . . 45 D N . 52788 1 158 . 1 . 1 46 46 ALA H H 1 8.589 0.000 . 1 . . . . . 46 A H . 52788 1 159 . 1 . 1 46 46 ALA CA C 13 54.601 0.000 . 1 . . . . . 46 A CA . 52788 1 160 . 1 . 1 46 46 ALA CB C 13 19.175 0.000 . 1 . . . . . 46 A CB . 52788 1 161 . 1 . 1 46 46 ALA N N 15 125.098 0.000 . 1 . . . . . 46 A N . 52788 1 162 . 1 . 1 47 47 ILE H H 1 7.851 0.000 . 1 . . . . . 47 I H . 52788 1 163 . 1 . 1 47 47 ILE CA C 13 63.169 0.000 . 1 . . . . . 47 I CA . 52788 1 164 . 1 . 1 47 47 ILE CB C 13 36.879 0.000 . 1 . . . . . 47 I CB . 52788 1 165 . 1 . 1 47 47 ILE N N 15 117.919 0.000 . 1 . . . . . 47 I N . 52788 1 166 . 1 . 1 48 48 LYS H H 1 7.787 0.000 . 1 . . . . . 48 K H . 52788 1 167 . 1 . 1 48 48 LYS CA C 13 58.900 0.000 . 1 . . . . . 48 K CA . 52788 1 168 . 1 . 1 48 48 LYS CB C 13 32.709 0.000 . 1 . . . . . 48 K CB . 52788 1 169 . 1 . 1 48 48 LYS N N 15 122.956 0.000 . 1 . . . . . 48 K N . 52788 1 170 . 1 . 1 49 49 LEU H H 1 7.768 0.000 . 1 . . . . . 49 L H . 52788 1 171 . 1 . 1 49 49 LEU CA C 13 54.799 0.000 . 1 . . . . . 49 L CA . 52788 1 172 . 1 . 1 49 49 LEU CB C 13 42.119 0.000 . 1 . . . . . 49 L CB . 52788 1 173 . 1 . 1 49 49 LEU N N 15 114.375 0.000 . 1 . . . . . 49 L N . 52788 1 174 . 1 . 1 50 50 ASN H H 1 7.404 0.000 . 1 . . . . . 50 N H . 52788 1 175 . 1 . 1 50 50 ASN CA C 13 53.816 0.000 . 1 . . . . . 50 N CA . 52788 1 176 . 1 . 1 50 50 ASN CB C 13 36.779 0.000 . 1 . . . . . 50 N CB . 52788 1 177 . 1 . 1 50 50 ASN N N 15 116.491 0.000 . 1 . . . . . 50 N N . 52788 1 178 . 1 . 1 51 51 LEU H H 1 8.226 0.000 . 1 . . . . . 51 L H . 52788 1 179 . 1 . 1 51 51 LEU CA C 13 51.331 0.000 . 1 . . . . . 51 L CA . 52788 1 180 . 1 . 1 51 51 LEU CB C 13 41.908 0.000 . 1 . . . . . 51 L CB . 52788 1 181 . 1 . 1 51 51 LEU N N 15 118.606 0.000 . 1 . . . . . 51 L N . 52788 1 182 . 1 . 1 52 52 PRO CA C 13 59.178 0.000 . 1 . . . . . 52 P CA . 52788 1 183 . 1 . 1 52 52 PRO CB C 13 29.618 0.000 . 1 . . . . . 52 P CB . 52788 1 184 . 1 . 1 53 53 ASP H H 1 8.151 0.000 . 1 . . . . . 53 D H . 52788 1 185 . 1 . 1 53 53 ASP CA C 13 54.121 0.000 . 1 . . . . . 53 D CA . 52788 1 186 . 1 . 1 53 53 ASP CB C 13 40.470 0.000 . 1 . . . . . 53 D CB . 52788 1 187 . 1 . 1 53 53 ASP N N 15 120.321 0.000 . 1 . . . . . 53 D N . 52788 1 188 . 1 . 1 54 54 TYR H H 1 7.549 0.000 . 1 . . . . . 54 Y H . 52788 1 189 . 1 . 1 54 54 TYR CA C 13 63.838 0.000 . 1 . . . . . 54 Y CA . 52788 1 190 . 1 . 1 54 54 TYR CB C 13 39.348 0.000 . 1 . . . . . 54 Y CB . 52788 1 191 . 1 . 1 54 54 TYR N N 15 122.813 0.000 . 1 . . . . . 54 Y N . 52788 1 192 . 1 . 1 55 55 HIS H H 1 8.238 0.000 . 1 . . . . . 55 H H . 52788 1 193 . 1 . 1 55 55 HIS CA C 13 58.006 0.000 . 1 . . . . . 55 H CA . 52788 1 194 . 1 . 1 55 55 HIS CB C 13 29.216 0.000 . 1 . . . . . 55 H CB . 52788 1 195 . 1 . 1 55 55 HIS N N 15 112.474 0.000 . 1 . . . . . 55 H N . 52788 1 196 . 1 . 1 56 56 LYS H H 1 7.177 0.000 . 1 . . . . . 56 K H . 52788 1 197 . 1 . 1 56 56 LYS CA C 13 57.462 0.000 . 1 . . . . . 56 K CA . 52788 1 198 . 1 . 1 56 56 LYS CB C 13 32.716 0.000 . 1 . . . . . 56 K CB . 52788 1 199 . 1 . 1 56 56 LYS N N 15 117.923 0.000 . 1 . . . . . 56 K N . 52788 1 200 . 1 . 1 57 57 ILE H H 1 7.108 0.000 . 1 . . . . . 57 I H . 52788 1 201 . 1 . 1 57 57 ILE CA C 13 62.299 0.000 . 1 . . . . . 57 I CA . 52788 1 202 . 1 . 1 57 57 ILE CB C 13 39.838 0.000 . 1 . . . . . 57 I CB . 52788 1 203 . 1 . 1 57 57 ILE N N 15 118.851 0.000 . 1 . . . . . 57 I N . 52788 1 204 . 1 . 1 58 58 ILE H H 1 8.231 0.000 . 1 . . . . . 58 I H . 52788 1 205 . 1 . 1 58 58 ILE CA C 13 57.342 0.000 . 1 . . . . . 58 I CA . 52788 1 206 . 1 . 1 58 58 ILE CB C 13 34.175 0.000 . 1 . . . . . 58 I CB . 52788 1 207 . 1 . 1 58 58 ILE N N 15 121.625 0.000 . 1 . . . . . 58 I N . 52788 1 208 . 1 . 1 59 59 LYS H H 1 7.769 0.000 . 1 . . . . . 59 K H . 52788 1 209 . 1 . 1 59 59 LYS CA C 13 56.844 0.000 . 1 . . . . . 59 K CA . 52788 1 210 . 1 . 1 59 59 LYS CB C 13 32.755 0.000 . 1 . . . . . 59 K CB . 52788 1 211 . 1 . 1 59 59 LYS N N 15 124.535 0.000 . 1 . . . . . 59 K N . 52788 1 212 . 1 . 1 60 60 GLN H H 1 8.285 0.000 . 1 . . . . . 60 Q H . 52788 1 213 . 1 . 1 60 60 GLN CA C 13 52.271 0.000 . 1 . . . . . 60 Q CA . 52788 1 214 . 1 . 1 60 60 GLN CB C 13 29.608 0.000 . 1 . . . . . 60 Q CB . 52788 1 215 . 1 . 1 60 60 GLN N N 15 118.253 0.000 . 1 . . . . . 60 Q N . 52788 1 216 . 1 . 1 61 61 PRO CA C 13 63.018 0.000 . 1 . . . . . 61 P CA . 52788 1 217 . 1 . 1 61 61 PRO CB C 13 32.021 0.000 . 1 . . . . . 61 P CB . 52788 1 218 . 1 . 1 62 62 MET H H 1 7.995 0.000 . 1 . . . . . 62 M H . 52788 1 219 . 1 . 1 62 62 MET CA C 13 54.160 0.000 . 1 . . . . . 62 M CA . 52788 1 220 . 1 . 1 62 62 MET CB C 13 31.924 0.000 . 1 . . . . . 62 M CB . 52788 1 221 . 1 . 1 62 62 MET N N 15 119.336 0.000 . 1 . . . . . 62 M N . 52788 1 222 . 1 . 1 63 63 ASP H H 1 7.234 0.000 . 1 . . . . . 63 D H . 52788 1 223 . 1 . 1 63 63 ASP CA C 13 53.046 0.000 . 1 . . . . . 63 D CA . 52788 1 224 . 1 . 1 63 63 ASP CB C 13 44.108 0.000 . 1 . . . . . 63 D CB . 52788 1 225 . 1 . 1 63 63 ASP N N 15 119.451 0.000 . 1 . . . . . 63 D N . 52788 1 226 . 1 . 1 64 64 MET H H 1 9.068 0.000 . 1 . . . . . 64 M H . 52788 1 227 . 1 . 1 64 64 MET CA C 13 60.037 0.000 . 1 . . . . . 64 M CA . 52788 1 228 . 1 . 1 64 64 MET CB C 13 35.329 0.000 . 1 . . . . . 64 M CB . 52788 1 229 . 1 . 1 64 64 MET N N 15 120.175 0.000 . 1 . . . . . 64 M N . 52788 1 230 . 1 . 1 65 65 GLY H H 1 8.529 0.000 . 1 . . . . . 65 G H . 52788 1 231 . 1 . 1 65 65 GLY CA C 13 47.854 0.000 . 1 . . . . . 65 G CA . 52788 1 232 . 1 . 1 65 65 GLY N N 15 112.244 0.000 . 1 . . . . . 65 G N . 52788 1 233 . 1 . 1 66 66 THR H H 1 8.291 0.000 . 1 . . . . . 66 T H . 52788 1 234 . 1 . 1 66 66 THR CA C 13 67.398 0.000 . 1 . . . . . 66 T CA . 52788 1 235 . 1 . 1 66 66 THR N N 15 123.599 0.000 . 1 . . . . . 66 T N . 52788 1 236 . 1 . 1 67 67 ILE H H 1 7.150 0.000 . 1 . . . . . 67 I H . 52788 1 237 . 1 . 1 67 67 ILE CA C 13 65.829 0.000 . 1 . . . . . 67 I CA . 52788 1 238 . 1 . 1 67 67 ILE CB C 13 38.696 0.000 . 1 . . . . . 67 I CB . 52788 1 239 . 1 . 1 67 67 ILE N N 15 121.157 0.000 . 1 . . . . . 67 I N . 52788 1 240 . 1 . 1 68 68 LYS H H 1 8.566 0.000 . 1 . . . . . 68 K H . 52788 1 241 . 1 . 1 68 68 LYS CA C 13 61.078 0.000 . 1 . . . . . 68 K CA . 52788 1 242 . 1 . 1 68 68 LYS CB C 13 32.758 0.000 . 1 . . . . . 68 K CB . 52788 1 243 . 1 . 1 68 68 LYS N N 15 120.033 0.000 . 1 . . . . . 68 K N . 52788 1 244 . 1 . 1 69 69 ARG H H 1 7.917 0.000 . 1 . . . . . 69 R H . 52788 1 245 . 1 . 1 69 69 ARG CA C 13 59.230 0.000 . 1 . . . . . 69 R CA . 52788 1 246 . 1 . 1 69 69 ARG CB C 13 29.675 0.000 . 1 . . . . . 69 R CB . 52788 1 247 . 1 . 1 69 69 ARG N N 15 117.891 0.000 . 1 . . . . . 69 R N . 52788 1 248 . 1 . 1 70 70 ARG CA C 13 60.193 0.000 . 1 . . . . . 70 R CA . 52788 1 249 . 1 . 1 70 70 ARG CB C 13 29.675 0.000 . 1 . . . . . 70 R CB . 52788 1 250 . 1 . 1 71 71 LEU H H 1 8.503 0.000 . 1 . . . . . 71 L H . 52788 1 251 . 1 . 1 71 71 LEU CA C 13 58.229 0.000 . 1 . . . . . 71 L CA . 52788 1 252 . 1 . 1 71 71 LEU CB C 13 41.649 0.000 . 1 . . . . . 71 L CB . 52788 1 253 . 1 . 1 71 71 LEU N N 15 120.506 0.000 . 1 . . . . . 71 L N . 52788 1 254 . 1 . 1 72 72 GLU H H 1 8.285 0.000 . 1 . . . . . 72 E H . 52788 1 255 . 1 . 1 72 72 GLU CA C 13 58.726 0.000 . 1 . . . . . 72 E CA . 52788 1 256 . 1 . 1 72 72 GLU CB C 13 29.680 0.000 . 1 . . . . . 72 E CB . 52788 1 257 . 1 . 1 72 72 GLU N N 15 118.524 0.000 . 1 . . . . . 72 E N . 52788 1 258 . 1 . 1 73 73 ASN H H 1 7.705 0.000 . 1 . . . . . 73 N H . 52788 1 259 . 1 . 1 73 73 ASN CA C 13 52.677 0.000 . 1 . . . . . 73 N CA . 52788 1 260 . 1 . 1 73 73 ASN CB C 13 38.854 0.000 . 1 . . . . . 73 N CB . 52788 1 261 . 1 . 1 73 73 ASN N N 15 114.468 0.000 . 1 . . . . . 73 N N . 52788 1 262 . 1 . 1 74 74 ASN H H 1 7.647 0.000 . 1 . . . . . 74 N H . 52788 1 263 . 1 . 1 74 74 ASN CA C 13 54.289 0.000 . 1 . . . . . 74 N CA . 52788 1 264 . 1 . 1 74 74 ASN CB C 13 35.847 0.000 . 1 . . . . . 74 N CB . 52788 1 265 . 1 . 1 74 74 ASN N N 15 116.285 0.000 . 1 . . . . . 74 N N . 52788 1 266 . 1 . 1 75 75 TYR H H 1 8.394 0.000 . 1 . . . . . 75 Y H . 52788 1 267 . 1 . 1 75 75 TYR CA C 13 60.327 0.000 . 1 . . . . . 75 Y CA . 52788 1 268 . 1 . 1 75 75 TYR CB C 13 40.852 0.000 . 1 . . . . . 75 Y CB . 52788 1 269 . 1 . 1 75 75 TYR N N 15 115.743 0.000 . 1 . . . . . 75 Y N . 52788 1 270 . 1 . 1 76 76 TYR H H 1 7.943 0.000 . 1 . . . . . 76 Y H . 52788 1 271 . 1 . 1 76 76 TYR CA C 13 57.533 0.000 . 1 . . . . . 76 Y CA . 52788 1 272 . 1 . 1 76 76 TYR CB C 13 38.953 0.000 . 1 . . . . . 76 Y CB . 52788 1 273 . 1 . 1 76 76 TYR N N 15 115.394 0.000 . 1 . . . . . 76 Y N . 52788 1 274 . 1 . 1 77 77 TRP H H 1 9.534 0.000 . 1 . . . . . 77 W H . 52788 1 275 . 1 . 1 77 77 TRP CA C 13 58.543 0.000 . 1 . . . . . 77 W CA . 52788 1 276 . 1 . 1 77 77 TRP CB C 13 30.698 0.000 . 1 . . . . . 77 W CB . 52788 1 277 . 1 . 1 77 77 TRP N N 15 121.808 0.000 . 1 . . . . . 77 W N . 52788 1 278 . 1 . 1 78 78 ALA H H 1 7.587 0.000 . 1 . . . . . 78 A H . 52788 1 279 . 1 . 1 78 78 ALA CA C 13 50.085 0.000 . 1 . . . . . 78 A CA . 52788 1 280 . 1 . 1 78 78 ALA CB C 13 23.344 0.000 . 1 . . . . . 78 A CB . 52788 1 281 . 1 . 1 78 78 ALA N N 15 117.249 0.000 . 1 . . . . . 78 A N . 52788 1 282 . 1 . 1 79 79 ALA CA C 13 55.408 0.000 . 1 . . . . . 79 A CA . 52788 1 283 . 1 . 1 79 79 ALA CB C 13 19.250 0.000 . 1 . . . . . 79 A CB . 52788 1 284 . 1 . 1 80 80 SER H H 1 9.362 0.000 . 1 . . . . . 80 S H . 52788 1 285 . 1 . 1 80 80 SER CA C 13 61.488 0.000 . 1 . . . . . 80 S CA . 52788 1 286 . 1 . 1 80 80 SER N N 15 114.597 0.000 . 1 . . . . . 80 S N . 52788 1 287 . 1 . 1 81 81 GLU H H 1 7.532 0.000 . 1 . . . . . 81 E H . 52788 1 288 . 1 . 1 81 81 GLU CA C 13 58.667 0.000 . 1 . . . . . 81 E CA . 52788 1 289 . 1 . 1 81 81 GLU CB C 13 31.991 0.000 . 1 . . . . . 81 E CB . 52788 1 290 . 1 . 1 81 81 GLU N N 15 122.089 0.000 . 1 . . . . . 81 E N . 52788 1 291 . 1 . 1 82 82 CYS H H 1 6.562 0.000 . 1 . . . . . 82 C H . 52788 1 292 . 1 . 1 82 82 CYS CA C 13 61.719 0.000 . 1 . . . . . 82 C CA . 52788 1 293 . 1 . 1 82 82 CYS CB C 13 26.064 0.000 . 1 . . . . . 82 C CB . 52788 1 294 . 1 . 1 82 82 CYS N N 15 120.685 0.000 . 1 . . . . . 82 C N . 52788 1 295 . 1 . 1 83 83 MET H H 1 8.582 0.000 . 1 . . . . . 83 M H . 52788 1 296 . 1 . 1 83 83 MET CA C 13 59.650 0.000 . 1 . . . . . 83 M CA . 52788 1 297 . 1 . 1 83 83 MET CB C 13 31.696 0.000 . 1 . . . . . 83 M CB . 52788 1 298 . 1 . 1 83 83 MET N N 15 117.392 0.000 . 1 . . . . . 83 M N . 52788 1 299 . 1 . 1 84 84 GLN H H 1 7.885 0.000 . 1 . . . . . 84 Q H . 52788 1 300 . 1 . 1 84 84 GLN CA C 13 58.961 0.000 . 1 . . . . . 84 Q CA . 52788 1 301 . 1 . 1 84 84 GLN CB C 13 28.082 0.000 . 1 . . . . . 84 Q CB . 52788 1 302 . 1 . 1 84 84 GLN N N 15 118.503 0.000 . 1 . . . . . 84 Q N . 52788 1 303 . 1 . 1 85 85 ASP H H 1 7.387 0.000 . 1 . . . . . 85 D H . 52788 1 304 . 1 . 1 85 85 ASP CA C 13 58.625 0.000 . 1 . . . . . 85 D CA . 52788 1 305 . 1 . 1 85 85 ASP CB C 13 39.642 0.000 . 1 . . . . . 85 D CB . 52788 1 306 . 1 . 1 85 85 ASP N N 15 121.908 0.000 . 1 . . . . . 85 D N . 52788 1 307 . 1 . 1 86 86 PHE H H 1 8.037 0.000 . 1 . . . . . 86 F H . 52788 1 308 . 1 . 1 86 86 PHE CA C 13 63.474 0.000 . 1 . . . . . 86 F CA . 52788 1 309 . 1 . 1 86 86 PHE CB C 13 39.321 0.000 . 1 . . . . . 86 F CB . 52788 1 310 . 1 . 1 86 86 PHE N N 15 119.091 0.000 . 1 . . . . . 86 F N . 52788 1 311 . 1 . 1 87 87 ASN H H 1 8.152 0.000 . 1 . . . . . 87 N H . 52788 1 312 . 1 . 1 87 87 ASN CA C 13 57.390 0.000 . 1 . . . . . 87 N CA . 52788 1 313 . 1 . 1 87 87 ASN CB C 13 38.807 0.000 . 1 . . . . . 87 N CB . 52788 1 314 . 1 . 1 87 87 ASN N N 15 115.509 0.000 . 1 . . . . . 87 N N . 52788 1 315 . 1 . 1 88 88 THR H H 1 9.011 0.000 . 1 . . . . . 88 T H . 52788 1 316 . 1 . 1 88 88 THR CA C 13 66.605 0.000 . 1 . . . . . 88 T CA . 52788 1 317 . 1 . 1 88 88 THR CB C 13 68.814 0.000 . 1 . . . . . 88 T CB . 52788 1 318 . 1 . 1 88 88 THR N N 15 121.228 0.000 . 1 . . . . . 88 T N . 52788 1 319 . 1 . 1 89 89 MET H H 1 7.601 0.000 . 1 . . . . . 89 M H . 52788 1 320 . 1 . 1 89 89 MET CA C 13 60.138 0.000 . 1 . . . . . 89 M CA . 52788 1 321 . 1 . 1 89 89 MET CB C 13 33.886 0.000 . 1 . . . . . 89 M CB . 52788 1 322 . 1 . 1 89 89 MET N N 15 120.066 0.000 . 1 . . . . . 89 M N . 52788 1 323 . 1 . 1 90 90 PHE H H 1 7.691 0.000 . 1 . . . . . 90 F H . 52788 1 324 . 1 . 1 90 90 PHE CA C 13 61.229 0.000 . 1 . . . . . 90 F CA . 52788 1 325 . 1 . 1 90 90 PHE CB C 13 38.094 0.000 . 1 . . . . . 90 F CB . 52788 1 326 . 1 . 1 90 90 PHE N N 15 116.140 0.000 . 1 . . . . . 90 F N . 52788 1 327 . 1 . 1 91 91 THR H H 1 8.506 0.000 . 1 . . . . . 91 T H . 52788 1 328 . 1 . 1 91 91 THR CA C 13 66.943 0.000 . 1 . . . . . 91 T CA . 52788 1 329 . 1 . 1 91 91 THR CB C 13 68.979 0.000 . 1 . . . . . 91 T CB . 52788 1 330 . 1 . 1 91 91 THR N N 15 111.975 0.000 . 1 . . . . . 91 T N . 52788 1 331 . 1 . 1 92 92 ASN H H 1 8.651 0.000 . 1 . . . . . 92 N H . 52788 1 332 . 1 . 1 92 92 ASN CA C 13 55.150 0.000 . 1 . . . . . 92 N CA . 52788 1 333 . 1 . 1 92 92 ASN CB C 13 38.035 0.000 . 1 . . . . . 92 N CB . 52788 1 334 . 1 . 1 92 92 ASN N N 15 119.425 0.000 . 1 . . . . . 92 N N . 52788 1 335 . 1 . 1 93 93 CYS H H 1 6.854 0.000 . 1 . . . . . 93 C H . 52788 1 336 . 1 . 1 93 93 CYS CA C 13 62.228 0.000 . 1 . . . . . 93 C CA . 52788 1 337 . 1 . 1 93 93 CYS CB C 13 25.936 0.000 . 1 . . . . . 93 C CB . 52788 1 338 . 1 . 1 93 93 CYS N N 15 117.742 0.000 . 1 . . . . . 93 C N . 52788 1 339 . 1 . 1 94 94 TYR H H 1 7.376 0.000 . 1 . . . . . 94 Y H . 52788 1 340 . 1 . 1 94 94 TYR CA C 13 56.605 0.000 . 1 . . . . . 94 Y CA . 52788 1 341 . 1 . 1 94 94 TYR CB C 13 36.240 0.000 . 1 . . . . . 94 Y CB . 52788 1 342 . 1 . 1 94 94 TYR N N 15 118.155 0.000 . 1 . . . . . 94 Y N . 52788 1 343 . 1 . 1 95 95 ILE H H 1 8.542 0.000 . 1 . . . . . 95 I H . 52788 1 344 . 1 . 1 95 95 ILE CA C 13 63.709 0.000 . 1 . . . . . 95 I CA . 52788 1 345 . 1 . 1 95 95 ILE CB C 13 38.754 0.000 . 1 . . . . . 95 I CB . 52788 1 346 . 1 . 1 95 95 ILE N N 15 116.771 0.000 . 1 . . . . . 95 I N . 52788 1 347 . 1 . 1 96 96 TYR H H 1 7.881 0.000 . 1 . . . . . 96 Y H . 52788 1 348 . 1 . 1 96 96 TYR CA C 13 61.919 0.000 . 1 . . . . . 96 Y CA . 52788 1 349 . 1 . 1 96 96 TYR CB C 13 40.812 0.000 . 1 . . . . . 96 Y CB . 52788 1 350 . 1 . 1 96 96 TYR N N 15 118.158 0.000 . 1 . . . . . 96 Y N . 52788 1 351 . 1 . 1 97 97 ASN H H 1 7.544 0.000 . 1 . . . . . 97 N H . 52788 1 352 . 1 . 1 97 97 ASN CA C 13 53.711 0.000 . 1 . . . . . 97 N CA . 52788 1 353 . 1 . 1 97 97 ASN CB C 13 41.339 0.000 . 1 . . . . . 97 N CB . 52788 1 354 . 1 . 1 97 97 ASN N N 15 114.046 0.000 . 1 . . . . . 97 N N . 52788 1 355 . 1 . 1 98 98 LYS H H 1 8.475 0.000 . 1 . . . . . 98 K H . 52788 1 356 . 1 . 1 98 98 LYS CA C 13 54.704 0.000 . 1 . . . . . 98 K CA . 52788 1 357 . 1 . 1 98 98 LYS CB C 13 31.695 0.000 . 1 . . . . . 98 K CB . 52788 1 358 . 1 . 1 98 98 LYS N N 15 120.545 0.000 . 1 . . . . . 98 K N . 52788 1 359 . 1 . 1 99 99 PRO CA C 13 65.068 0.000 . 1 . . . . . 99 P CA . 52788 1 360 . 1 . 1 99 99 PRO CB C 13 32.225 0.000 . 1 . . . . . 99 P CB . 52788 1 361 . 1 . 1 100 100 THR H H 1 6.694 0.000 . 1 . . . . . 100 T H . 52788 1 362 . 1 . 1 100 100 THR CA C 13 60.409 0.000 . 1 . . . . . 100 T CA . 52788 1 363 . 1 . 1 100 100 THR CB C 13 69.031 0.000 . 1 . . . . . 100 T CB . 52788 1 364 . 1 . 1 100 100 THR N N 15 125.761 0.000 . 1 . . . . . 100 T N . 52788 1 365 . 1 . 1 101 101 ASP H H 1 7.828 0.000 . 1 . . . . . 101 D H . 52788 1 366 . 1 . 1 101 101 ASP CA C 13 55.123 0.000 . 1 . . . . . 101 D CA . 52788 1 367 . 1 . 1 101 101 ASP CB C 13 41.383 0.000 . 1 . . . . . 101 D CB . 52788 1 368 . 1 . 1 101 101 ASP N N 15 124.196 0.000 . 1 . . . . . 101 D N . 52788 1 369 . 1 . 1 102 102 ASP H H 1 8.823 0.000 . 1 . . . . . 102 D H . 52788 1 370 . 1 . 1 102 102 ASP CA C 13 57.808 0.000 . 1 . . . . . 102 D CA . 52788 1 371 . 1 . 1 102 102 ASP CB C 13 40.011 0.000 . 1 . . . . . 102 D CB . 52788 1 372 . 1 . 1 102 102 ASP N N 15 124.583 0.000 . 1 . . . . . 102 D N . 52788 1 373 . 1 . 1 103 103 ILE H H 1 8.589 0.000 . 1 . . . . . 103 I H . 52788 1 374 . 1 . 1 103 103 ILE CA C 13 63.095 0.000 . 1 . . . . . 103 I CA . 52788 1 375 . 1 . 1 103 103 ILE CB C 13 37.597 0.000 . 1 . . . . . 103 I CB . 52788 1 376 . 1 . 1 103 103 ILE N N 15 116.901 0.000 . 1 . . . . . 103 I N . 52788 1 377 . 1 . 1 104 104 VAL H H 1 6.963 0.000 . 1 . . . . . 104 V H . 52788 1 378 . 1 . 1 104 104 VAL CA C 13 67.166 0.000 . 1 . . . . . 104 V CA . 52788 1 379 . 1 . 1 104 104 VAL CB C 13 31.224 0.000 . 1 . . . . . 104 V CB . 52788 1 380 . 1 . 1 104 104 VAL N N 15 122.833 0.000 . 1 . . . . . 104 V N . 52788 1 381 . 1 . 1 105 105 LEU H H 1 7.054 0.000 . 1 . . . . . 105 L H . 52788 1 382 . 1 . 1 105 105 LEU CA C 13 58.002 0.000 . 1 . . . . . 105 L CA . 52788 1 383 . 1 . 1 105 105 LEU CB C 13 40.654 0.000 . 1 . . . . . 105 L CB . 52788 1 384 . 1 . 1 105 105 LEU N N 15 121.125 0.000 . 1 . . . . . 105 L N . 52788 1 385 . 1 . 1 106 106 MET H H 1 8.134 0.000 . 1 . . . . . 106 M H . 52788 1 386 . 1 . 1 106 106 MET CA C 13 60.289 0.000 . 1 . . . . . 106 M CA . 52788 1 387 . 1 . 1 106 106 MET CB C 13 33.551 0.000 . 1 . . . . . 106 M CB . 52788 1 388 . 1 . 1 106 106 MET N N 15 120.349 0.000 . 1 . . . . . 106 M N . 52788 1 389 . 1 . 1 107 107 ALA H H 1 8.596 0.000 . 1 . . . . . 107 A H . 52788 1 390 . 1 . 1 107 107 ALA CA C 13 56.084 0.000 . 1 . . . . . 107 A CA . 52788 1 391 . 1 . 1 107 107 ALA CB C 13 19.396 0.000 . 1 . . . . . 107 A CB . 52788 1 392 . 1 . 1 107 107 ALA N N 15 122.287 0.000 . 1 . . . . . 107 A N . 52788 1 393 . 1 . 1 108 108 GLN H H 1 8.933 0.000 . 1 . . . . . 108 Q H . 52788 1 394 . 1 . 1 108 108 GLN CA C 13 58.801 0.000 . 1 . . . . . 108 Q CA . 52788 1 395 . 1 . 1 108 108 GLN CB C 13 28.651 0.000 . 1 . . . . . 108 Q CB . 52788 1 396 . 1 . 1 108 108 GLN N N 15 115.829 0.000 . 1 . . . . . 108 Q N . 52788 1 397 . 1 . 1 109 109 THR H H 1 7.801 0.000 . 1 . . . . . 109 T H . 52788 1 398 . 1 . 1 109 109 THR CA C 13 67.299 0.000 . 1 . . . . . 109 T CA . 52788 1 399 . 1 . 1 109 109 THR CB C 13 68.927 0.000 . 1 . . . . . 109 T CB . 52788 1 400 . 1 . 1 109 109 THR N N 15 116.950 0.000 . 1 . . . . . 109 T N . 52788 1 401 . 1 . 1 110 110 LEU H H 1 7.844 0.000 . 1 . . . . . 110 L H . 52788 1 402 . 1 . 1 110 110 LEU CA C 13 57.729 0.000 . 1 . . . . . 110 L CA . 52788 1 403 . 1 . 1 110 110 LEU CB C 13 42.237 0.000 . 1 . . . . . 110 L CB . 52788 1 404 . 1 . 1 110 110 LEU N N 15 121.920 0.000 . 1 . . . . . 110 L N . 52788 1 405 . 1 . 1 111 111 GLU H H 1 8.884 0.000 . 1 . . . . . 111 E H . 52788 1 406 . 1 . 1 111 111 GLU CA C 13 59.269 0.000 . 1 . . . . . 111 E CA . 52788 1 407 . 1 . 1 111 111 GLU CB C 13 28.691 0.000 . 1 . . . . . 111 E CB . 52788 1 408 . 1 . 1 111 111 GLU N N 15 121.429 0.000 . 1 . . . . . 111 E N . 52788 1 409 . 1 . 1 112 112 LYS H H 1 7.472 0.000 . 1 . . . . . 112 K H . 52788 1 410 . 1 . 1 112 112 LYS CA C 13 59.865 0.000 . 1 . . . . . 112 K CA . 52788 1 411 . 1 . 1 112 112 LYS CB C 13 32.221 0.000 . 1 . . . . . 112 K CB . 52788 1 412 . 1 . 1 112 112 LYS N N 15 117.916 0.000 . 1 . . . . . 112 K N . 52788 1 413 . 1 . 1 113 113 ILE H H 1 7.272 0.000 . 1 . . . . . 113 I H . 52788 1 414 . 1 . 1 113 113 ILE CA C 13 64.773 0.000 . 1 . . . . . 113 I CA . 52788 1 415 . 1 . 1 113 113 ILE CB C 13 37.804 0.000 . 1 . . . . . 113 I CB . 52788 1 416 . 1 . 1 113 113 ILE N N 15 120.265 0.000 . 1 . . . . . 113 I N . 52788 1 417 . 1 . 1 114 114 PHE H H 1 8.622 0.000 . 1 . . . . . 114 F H . 52788 1 418 . 1 . 1 114 114 PHE CA C 13 61.811 0.000 . 1 . . . . . 114 F CA . 52788 1 419 . 1 . 1 114 114 PHE CB C 13 38.875 0.000 . 1 . . . . . 114 F CB . 52788 1 420 . 1 . 1 114 114 PHE N N 15 121.215 0.000 . 1 . . . . . 114 F N . 52788 1 421 . 1 . 1 115 115 LEU H H 1 8.642 0.000 . 1 . . . . . 115 L H . 52788 1 422 . 1 . 1 115 115 LEU CA C 13 57.576 0.000 . 1 . . . . . 115 L CA . 52788 1 423 . 1 . 1 115 115 LEU CB C 13 41.584 0.000 . 1 . . . . . 115 L CB . 52788 1 424 . 1 . 1 115 115 LEU N N 15 118.071 0.000 . 1 . . . . . 115 L N . 52788 1 425 . 1 . 1 116 116 GLN H H 1 7.889 0.000 . 1 . . . . . 116 Q H . 52788 1 426 . 1 . 1 116 116 GLN CA C 13 58.952 0.000 . 1 . . . . . 116 Q CA . 52788 1 427 . 1 . 1 116 116 GLN CB C 13 28.422 0.000 . 1 . . . . . 116 Q CB . 52788 1 428 . 1 . 1 116 116 GLN N N 15 119.616 0.000 . 1 . . . . . 116 Q N . 52788 1 429 . 1 . 1 117 117 LYS H H 1 8.415 0.000 . 1 . . . . . 117 K H . 52788 1 430 . 1 . 1 117 117 LYS CA C 13 57.385 0.000 . 1 . . . . . 117 K CA . 52788 1 431 . 1 . 1 117 117 LYS CB C 13 32.956 0.000 . 1 . . . . . 117 K CB . 52788 1 432 . 1 . 1 117 117 LYS N N 15 116.902 0.000 . 1 . . . . . 117 K N . 52788 1 433 . 1 . 1 118 118 VAL H H 1 8.752 0.000 . 1 . . . . . 118 V H . 52788 1 434 . 1 . 1 118 118 VAL CA C 13 66.222 0.000 . 1 . . . . . 118 V CA . 52788 1 435 . 1 . 1 118 118 VAL CB C 13 31.377 0.000 . 1 . . . . . 118 V CB . 52788 1 436 . 1 . 1 118 118 VAL N N 15 121.407 0.000 . 1 . . . . . 118 V N . 52788 1 437 . 1 . 1 119 119 ALA H H 1 7.230 0.000 . 1 . . . . . 119 A H . 52788 1 438 . 1 . 1 119 119 ALA CA C 13 54.630 0.000 . 1 . . . . . 119 A CA . 52788 1 439 . 1 . 1 119 119 ALA CB C 13 18.045 0.000 . 1 . . . . . 119 A CB . 52788 1 440 . 1 . 1 119 119 ALA N N 15 122.905 0.000 . 1 . . . . . 119 A N . 52788 1 441 . 1 . 1 120 120 SER H H 1 6.845 0.000 . 1 . . . . . 120 S H . 52788 1 442 . 1 . 1 120 120 SER CA C 13 57.767 0.000 . 1 . . . . . 120 S CA . 52788 1 443 . 1 . 1 120 120 SER CB C 13 63.770 0.000 . 1 . . . . . 120 S CB . 52788 1 444 . 1 . 1 120 120 SER N N 15 109.477 0.000 . 1 . . . . . 120 S N . 52788 1 445 . 1 . 1 121 121 MET H H 1 7.122 0.000 . 1 . . . . . 121 M H . 52788 1 446 . 1 . 1 121 121 MET CA C 13 53.935 0.000 . 1 . . . . . 121 M CA . 52788 1 447 . 1 . 1 121 121 MET CB C 13 35.448 0.000 . 1 . . . . . 121 M CB . 52788 1 448 . 1 . 1 121 121 MET N N 15 122.910 0.000 . 1 . . . . . 121 M N . 52788 1 449 . 1 . 1 122 122 PRO CA C 13 63.377 0.000 . 1 . . . . . 122 P CA . 52788 1 450 . 1 . 1 122 122 PRO CB C 13 32.117 0.000 . 1 . . . . . 122 P CB . 52788 1 451 . 1 . 1 123 123 GLN H H 1 8.403 0.000 . 1 . . . . . 123 Q H . 52788 1 452 . 1 . 1 123 123 GLN CA C 13 58.108 0.000 . 1 . . . . . 123 Q CA . 52788 1 453 . 1 . 1 123 123 GLN CB C 13 29.649 0.000 . 1 . . . . . 123 Q CB . 52788 1 454 . 1 . 1 123 123 GLN N N 15 121.344 0.000 . 1 . . . . . 123 Q N . 52788 1 455 . 1 . 1 124 124 GLU H H 1 7.907 0.000 . 1 . . . . . 124 E H . 52788 1 456 . 1 . 1 124 124 GLU CA C 13 54.715 0.000 . 1 . . . . . 124 E CA . 52788 1 457 . 1 . 1 124 124 GLU CB C 13 30.968 0.000 . 1 . . . . . 124 E CB . 52788 1 458 . 1 . 1 124 124 GLU N N 15 118.665 0.000 . 1 . . . . . 124 E N . 52788 1 459 . 1 . 1 125 125 GLU H H 1 8.837 0.000 . 1 . . . . . 125 E H . 52788 1 460 . 1 . 1 125 125 GLU CA C 13 56.995 0.000 . 1 . . . . . 125 E CA . 52788 1 461 . 1 . 1 125 125 GLU CB C 13 29.688 0.000 . 1 . . . . . 125 E CB . 52788 1 462 . 1 . 1 125 125 GLU N N 15 127.828 0.000 . 1 . . . . . 125 E N . 52788 1 463 . 1 . 1 126 126 GLN H H 1 8.621 0.000 . 1 . . . . . 126 Q H . 52788 1 464 . 1 . 1 126 126 GLN CA C 13 53.964 0.000 . 1 . . . . . 126 Q CA . 52788 1 465 . 1 . 1 126 126 GLN CB C 13 32.528 0.000 . 1 . . . . . 126 Q CB . 52788 1 466 . 1 . 1 126 126 GLN N N 15 126.103 0.000 . 1 . . . . . 126 Q N . 52788 1 467 . 1 . 1 127 127 GLU H H 1 8.901 0.000 . 1 . . . . . 127 E H . 52788 1 468 . 1 . 1 127 127 GLU CA C 13 57.181 0.000 . 1 . . . . . 127 E CA . 52788 1 469 . 1 . 1 127 127 GLU CB C 13 30.087 0.000 . 1 . . . . . 127 E CB . 52788 1 470 . 1 . 1 127 127 GLU N N 15 124.803 0.000 . 1 . . . . . 127 E N . 52788 1 471 . 1 . 1 128 128 LEU H H 1 8.092 0.000 . 1 . . . . . 128 L H . 52788 1 472 . 1 . 1 128 128 LEU CA C 13 54.293 0.000 . 1 . . . . . 128 L CA . 52788 1 473 . 1 . 1 128 128 LEU CB C 13 42.377 0.000 . 1 . . . . . 128 L CB . 52788 1 474 . 1 . 1 128 128 LEU N N 15 125.989 0.000 . 1 . . . . . 128 L N . 52788 1 475 . 1 . 1 129 129 VAL H H 1 8.142 0.000 . 1 . . . . . 129 V H . 52788 1 476 . 1 . 1 129 129 VAL CA C 13 62.118 0.000 . 1 . . . . . 129 V CA . 52788 1 477 . 1 . 1 129 129 VAL CB C 13 32.733 0.000 . 1 . . . . . 129 V CB . 52788 1 478 . 1 . 1 129 129 VAL N N 15 122.269 0.000 . 1 . . . . . 129 V N . 52788 1 479 . 1 . 1 130 130 VAL H H 1 8.291 0.000 . 1 . . . . . 130 V H . 52788 1 480 . 1 . 1 130 130 VAL CA C 13 62.075 0.000 . 1 . . . . . 130 V CA . 52788 1 481 . 1 . 1 130 130 VAL CB C 13 32.857 0.000 . 1 . . . . . 130 V CB . 52788 1 482 . 1 . 1 130 130 VAL N N 15 125.378 0.000 . 1 . . . . . 130 V N . 52788 1 483 . 1 . 1 131 131 THR H H 1 8.212 0.000 . 1 . . . . . 131 T H . 52788 1 484 . 1 . 1 131 131 THR CA C 13 61.679 0.000 . 1 . . . . . 131 T CA . 52788 1 485 . 1 . 1 131 131 THR CB C 13 69.834 0.000 . 1 . . . . . 131 T CB . 52788 1 486 . 1 . 1 131 131 THR N N 15 119.670 0.000 . 1 . . . . . 131 T N . 52788 1 487 . 1 . 1 132 132 ILE H H 1 8.211 0.000 . 1 . . . . . 132 I H . 52788 1 488 . 1 . 1 132 132 ILE CA C 13 58.479 0.000 . 1 . . . . . 132 I CA . 52788 1 489 . 1 . 1 132 132 ILE CB C 13 38.663 0.000 . 1 . . . . . 132 I CB . 52788 1 490 . 1 . 1 132 132 ILE N N 15 125.781 0.000 . 1 . . . . . 132 I N . 52788 1 491 . 1 . 1 133 133 PRO CA C 13 63.107 0.000 . 1 . . . . . 133 P CA . 52788 1 492 . 1 . 1 133 133 PRO CB C 13 32.166 0.000 . 1 . . . . . 133 P CB . 52788 1 493 . 1 . 1 134 134 LYS H H 1 8.307 0.000 . 1 . . . . . 134 K H . 52788 1 494 . 1 . 1 134 134 LYS CA C 13 56.220 0.000 . 1 . . . . . 134 K CA . 52788 1 495 . 1 . 1 134 134 LYS CB C 13 33.246 0.000 . 1 . . . . . 134 K CB . 52788 1 496 . 1 . 1 134 134 LYS N N 15 122.154 0.000 . 1 . . . . . 134 K N . 52788 1 497 . 1 . 1 135 135 ASN H H 1 7.924 0.000 . 1 . . . . . 135 N H . 52788 1 498 . 1 . 1 135 135 ASN CA C 13 54.681 0.000 . 1 . . . . . 135 N CA . 52788 1 499 . 1 . 1 135 135 ASN CB C 13 40.392 0.000 . 1 . . . . . 135 N CB . 52788 1 500 . 1 . 1 135 135 ASN N N 15 125.287 0.000 . 1 . . . . . 135 N N . 52788 1 stop_ save_