################################### # 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 51798 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'N-terminal disordered domain of Tetrahymena telomerase protein p65' _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' . . . 51798 1 2 '3D HNCACB' . . . 51798 1 3 '3D CBCACONH' . . . 51798 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 . . 51798 1 2 $software_2 . . 51798 1 3 $software_3 . . 51798 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 16 16 ASP CA C 13 55.073 0.10 . . . . . . . 2 ASP CA . 51798 1 2 . 1 . 1 16 16 ASP CB C 13 40.913 0.00 . . . . . . . 2 ASP CB . 51798 1 3 . 1 . 1 17 17 GLU H H 1 8.068 0.00 . . . . . . . 3 GLU H . 51798 1 4 . 1 . 1 17 17 GLU CA C 13 57.332 0.01 . . . . . . . 3 GLU CA . 51798 1 5 . 1 . 1 17 17 GLU CB C 13 32.502 0.02 . . . . . . . 3 GLU CB . 51798 1 6 . 1 . 1 17 17 GLU N N 15 120.877 0.01 . . . . . . . 3 GLU N . 51798 1 7 . 1 . 1 18 18 TYR H H 1 8.073 0.00 . . . . . . . 4 TYR H . 51798 1 8 . 1 . 1 18 18 TYR CA C 13 58.289 0.00 . . . . . . . 4 TYR CA . 51798 1 9 . 1 . 1 18 18 TYR CB C 13 39.095 0.00 . . . . . . . 4 TYR CB . 51798 1 10 . 1 . 1 18 18 TYR N N 15 119.249 0.07 . . . . . . . 4 TYR N . 51798 1 11 . 1 . 1 19 19 LEU H H 1 7.947 0.00 . . . . . . . 5 LEU H . 51798 1 12 . 1 . 1 19 19 LEU N N 15 121.795 0.00 . . . . . . . 5 LEU N . 51798 1 13 . 1 . 1 21 21 ASN H H 1 8.466 0.00 . . . . . . . 7 ASN H . 51798 1 14 . 1 . 1 21 21 ASN CA C 13 53.225 0.06 . . . . . . . 7 ASN CA . 51798 1 15 . 1 . 1 21 21 ASN CB C 13 38.970 0.06 . . . . . . . 7 ASN CB . 51798 1 16 . 1 . 1 21 21 ASN N N 15 119.724 0.30 . . . . . . . 7 ASN N . 51798 1 17 . 1 . 1 22 22 THR H H 1 8.134 0.00 . . . . . . . 8 THR H . 51798 1 18 . 1 . 1 22 22 THR CA C 13 62.148 0.08 . . . . . . . 8 THR CA . 51798 1 19 . 1 . 1 22 22 THR CB C 13 69.736 0.03 . . . . . . . 8 THR CB . 51798 1 20 . 1 . 1 22 22 THR N N 15 114.552 0.01 . . . . . . . 8 THR N . 51798 1 21 . 1 . 1 23 23 ASN H H 1 8.475 0.00 . . . . . . . 9 ASN H . 51798 1 22 . 1 . 1 23 23 ASN CA C 13 53.247 0.01 . . . . . . . 9 ASN CA . 51798 1 23 . 1 . 1 23 23 ASN CB C 13 38.693 0.01 . . . . . . . 9 ASN CB . 51798 1 24 . 1 . 1 23 23 ASN N N 15 121.319 0.03 . . . . . . . 9 ASN N . 51798 1 25 . 1 . 1 24 24 LEU H H 1 8.247 0.00 . . . . . . . 10 LEU H . 51798 1 26 . 1 . 1 24 24 LEU CA C 13 55.788 0.01 . . . . . . . 10 LEU CA . 51798 1 27 . 1 . 1 24 24 LEU CB C 13 42.169 0.00 . . . . . . . 10 LEU CB . 51798 1 28 . 1 . 1 24 24 LEU N N 15 122.896 0.04 . . . . . . . 10 LEU N . 51798 1 29 . 1 . 1 25 25 GLU H H 1 8.369 0.00 . . . . . . . 11 GLU H . 51798 1 30 . 1 . 1 25 25 GLU CA C 13 56.949 0.01 . . . . . . . 11 GLU CA . 51798 1 31 . 1 . 1 25 25 GLU CB C 13 30.218 0.01 . . . . . . . 11 GLU CB . 51798 1 32 . 1 . 1 25 25 GLU N N 15 120.955 0.08 . . . . . . . 11 GLU N . 51798 1 33 . 1 . 1 26 26 GLU H H 1 8.289 0.00 . . . . . . . 12 GLU H . 51798 1 34 . 1 . 1 26 26 GLU CA C 13 58.417 0.05 . . . . . . . 12 GLU CA . 51798 1 35 . 1 . 1 26 26 GLU CB C 13 28.126 0.02 . . . . . . . 12 GLU CB . 51798 1 36 . 1 . 1 26 26 GLU N N 15 120.171 0.04 . . . . . . . 12 GLU N . 51798 1 37 . 1 . 1 27 27 LEU H H 1 8.357 0.00 . . . . . . . 13 LEU H . 51798 1 38 . 1 . 1 27 27 LEU CA C 13 57.721 0.07 . . . . . . . 13 LEU CA . 51798 1 39 . 1 . 1 27 27 LEU CB C 13 39.472 0.02 . . . . . . . 13 LEU CB . 51798 1 40 . 1 . 1 27 27 LEU N N 15 123.291 0.03 . . . . . . . 13 LEU N . 51798 1 41 . 1 . 1 28 28 GLU H H 1 8.203 0.00 . . . . . . . 14 GLU H . 51798 1 42 . 1 . 1 28 28 GLU CA C 13 55.435 0.00 . . . . . . . 14 GLU CA . 51798 1 43 . 1 . 1 28 28 GLU N N 15 122.640 0.05 . . . . . . . 14 GLU N . 51798 1 44 . 1 . 1 34 34 GLU CA C 13 56.996 0.00 . . . . . . . 20 GLU CA . 51798 1 45 . 1 . 1 34 34 GLU CB C 13 30.292 0.00 . . . . . . . 20 GLU CB . 51798 1 46 . 1 . 1 35 35 ASP H H 1 8.199 0.00 . . . . . . . 21 ASP H . 51798 1 47 . 1 . 1 35 35 ASP CA C 13 58.117 0.06 . . . . . . . 21 ASP CA . 51798 1 48 . 1 . 1 35 35 ASP CB C 13 38.448 0.06 . . . . . . . 21 ASP CB . 51798 1 49 . 1 . 1 35 35 ASP N N 15 120.934 0.04 . . . . . . . 21 ASP N . 51798 1 50 . 1 . 1 36 36 TYR H H 1 7.963 0.00 . . . . . . . 22 TYR H . 51798 1 51 . 1 . 1 36 36 TYR CA C 13 54.947 0.06 . . . . . . . 22 TYR CA . 51798 1 52 . 1 . 1 36 36 TYR CB C 13 42.562 0.03 . . . . . . . 22 TYR CB . 51798 1 53 . 1 . 1 36 36 TYR N N 15 123.993 0.02 . . . . . . . 22 TYR N . 51798 1 54 . 1 . 1 37 37 GLN H H 1 8.246 0.00 . . . . . . . 23 GLN H . 51798 1 55 . 1 . 1 37 37 GLN CA C 13 56.677 0.09 . . . . . . . 23 GLN CA . 51798 1 56 . 1 . 1 37 37 GLN CB C 13 30.243 0.02 . . . . . . . 23 GLN CB . 51798 1 57 . 1 . 1 37 37 GLN N N 15 121.349 0.05 . . . . . . . 23 GLN N . 51798 1 58 . 1 . 1 38 38 HIS H H 1 8.431 0.00 . . . . . . . 24 HIS H . 51798 1 59 . 1 . 1 38 38 HIS CA C 13 56.020 0.01 . . . . . . . 24 HIS CA . 51798 1 60 . 1 . 1 38 38 HIS CB C 13 29.788 0.06 . . . . . . . 24 HIS CB . 51798 1 61 . 1 . 1 38 38 HIS N N 15 121.805 0.01 . . . . . . . 24 HIS N . 51798 1 62 . 1 . 1 39 39 GLU H H 1 8.459 0.00 . . . . . . . 25 GLU H . 51798 1 63 . 1 . 1 39 39 GLU CA C 13 56.359 0.05 . . . . . . . 25 GLU CA . 51798 1 64 . 1 . 1 39 39 GLU CB C 13 30.617 0.03 . . . . . . . 25 GLU CB . 51798 1 65 . 1 . 1 39 39 GLU N N 15 122.661 0.02 . . . . . . . 25 GLU N . 51798 1 66 . 1 . 1 40 40 ASP H H 1 8.526 0.00 . . . . . . . 26 ASP H . 51798 1 67 . 1 . 1 40 40 ASP CA C 13 54.466 0.01 . . . . . . . 26 ASP CA . 51798 1 68 . 1 . 1 40 40 ASP CB C 13 41.186 0.01 . . . . . . . 26 ASP CB . 51798 1 69 . 1 . 1 40 40 ASP N N 15 122.362 0.01 . . . . . . . 26 ASP N . 51798 1 70 . 1 . 1 41 41 VAL H H 1 8.142 0.00 . . . . . . . 27 VAL H . 51798 1 71 . 1 . 1 41 41 VAL CA C 13 62.415 0.07 . . . . . . . 27 VAL CA . 51798 1 72 . 1 . 1 41 41 VAL CB C 13 32.756 0.03 . . . . . . . 27 VAL CB . 51798 1 73 . 1 . 1 41 41 VAL N N 15 120.916 0.01 . . . . . . . 27 VAL N . 51798 1 74 . 1 . 1 42 42 VAL H H 1 8.224 0.00 . . . . . . . 28 VAL H . 51798 1 75 . 1 . 1 42 42 VAL CA C 13 62.387 0.05 . . . . . . . 28 VAL CA . 51798 1 76 . 1 . 1 42 42 VAL CB C 13 32.783 0.00 . . . . . . . 28 VAL CB . 51798 1 77 . 1 . 1 42 42 VAL N N 15 124.776 0.02 . . . . . . . 28 VAL N . 51798 1 78 . 1 . 1 43 43 GLU H H 1 8.492 0.00 . . . . . . . 29 GLU H . 51798 1 79 . 1 . 1 43 43 GLU CA C 13 56.639 0.03 . . . . . . . 29 GLU CA . 51798 1 80 . 1 . 1 43 43 GLU CB C 13 30.226 0.06 . . . . . . . 29 GLU CB . 51798 1 81 . 1 . 1 43 43 GLU N N 15 125.303 0.00 . . . . . . . 29 GLU N . 51798 1 82 . 1 . 1 44 44 GLN H H 1 8.457 0.00 . . . . . . . 30 GLN H . 51798 1 83 . 1 . 1 44 44 GLN CA C 13 56.950 0.05 . . . . . . . 30 GLN CA . 51798 1 84 . 1 . 1 44 44 GLN CB C 13 30.241 0.02 . . . . . . . 30 GLN CB . 51798 1 85 . 1 . 1 44 44 GLN N N 15 122.091 0.05 . . . . . . . 30 GLN N . 51798 1 86 . 1 . 1 45 45 GLU H H 1 8.472 0.01 . . . . . . . 31 GLU H . 51798 1 87 . 1 . 1 45 45 GLU CA C 13 56.746 0.06 . . . . . . . 31 GLU CA . 51798 1 88 . 1 . 1 45 45 GLU CB C 13 30.241 0.05 . . . . . . . 31 GLU CB . 51798 1 89 . 1 . 1 45 45 GLU N N 15 122.253 0.06 . . . . . . . 31 GLU N . 51798 1 90 . 1 . 1 46 46 ASN H H 1 8.411 0.00 . . . . . . . 32 ASN H . 51798 1 91 . 1 . 1 46 46 ASN CA C 13 53.263 0.04 . . . . . . . 32 ASN CA . 51798 1 92 . 1 . 1 46 46 ASN CB C 13 38.921 0.04 . . . . . . . 32 ASN CB . 51798 1 93 . 1 . 1 46 46 ASN N N 15 119.641 0.05 . . . . . . . 32 ASN N . 51798 1 94 . 1 . 1 47 47 HIS H H 1 8.107 0.00 . . . . . . . 33 HIS H . 51798 1 95 . 1 . 1 47 47 HIS CA C 13 56.191 0.00 . . . . . . . 33 HIS CA . 51798 1 96 . 1 . 1 47 47 HIS CB C 13 32.702 0.00 . . . . . . . 33 HIS CB . 51798 1 97 . 1 . 1 47 47 HIS N N 15 120.615 0.09 . . . . . . . 33 HIS N . 51798 1 98 . 1 . 1 48 48 GLN CA C 13 55.896 0.02 . . . . . . . 34 GLN CA . 51798 1 99 . 1 . 1 48 48 GLN CB C 13 29.484 0.04 . . . . . . . 34 GLN CB . 51798 1 100 . 1 . 1 49 49 VAL H H 1 8.224 0.00 . . . . . . . 35 VAL H . 51798 1 101 . 1 . 1 49 49 VAL CA C 13 62.333 0.04 . . . . . . . 35 VAL CA . 51798 1 102 . 1 . 1 49 49 VAL CB C 13 32.923 0.05 . . . . . . . 35 VAL CB . 51798 1 103 . 1 . 1 49 49 VAL N N 15 121.664 0.02 . . . . . . . 35 VAL N . 51798 1 104 . 1 . 1 50 50 ASP H H 1 8.459 0.00 . . . . . . . 36 ASP H . 51798 1 105 . 1 . 1 50 50 ASP CA C 13 54.264 0.05 . . . . . . . 36 ASP CA . 51798 1 106 . 1 . 1 50 50 ASP CB C 13 41.519 0.03 . . . . . . . 36 ASP CB . 51798 1 107 . 1 . 1 50 50 ASP N N 15 124.487 0.05 . . . . . . . 36 ASP N . 51798 1 108 . 1 . 1 51 51 ALA H H 1 8.317 0.00 . . . . . . . 37 ALA H . 51798 1 109 . 1 . 1 51 51 ALA CA C 13 52.911 0.04 . . . . . . . 37 ALA CA . 51798 1 110 . 1 . 1 51 51 ALA CB C 13 19.190 0.02 . . . . . . . 37 ALA CB . 51798 1 111 . 1 . 1 51 51 ALA N N 15 125.144 0.01 . . . . . . . 37 ALA N . 51798 1 112 . 1 . 1 52 52 ASN H H 1 8.458 0.00 . . . . . . . 38 ASN H . 51798 1 113 . 1 . 1 52 52 ASN CA C 13 53.462 0.03 . . . . . . . 38 ASN CA . 51798 1 114 . 1 . 1 52 52 ASN CB C 13 39.139 0.02 . . . . . . . 38 ASN CB . 51798 1 115 . 1 . 1 52 52 ASN N N 15 117.303 0.01 . . . . . . . 38 ASN N . 51798 1 116 . 1 . 1 53 53 ASP H H 1 8.208 0.00 . . . . . . . 39 ASP H . 51798 1 117 . 1 . 1 53 53 ASP CA C 13 54.550 0.01 . . . . . . . 39 ASP CA . 51798 1 118 . 1 . 1 53 53 ASP CB C 13 41.085 0.02 . . . . . . . 39 ASP CB . 51798 1 119 . 1 . 1 53 53 ASP N N 15 120.551 0.07 . . . . . . . 39 ASP N . 51798 1 120 . 1 . 1 54 54 ILE H H 1 7.821 0.00 . . . . . . . 40 ILE H . 51798 1 121 . 1 . 1 54 54 ILE CA C 13 61.593 0.04 . . . . . . . 40 ILE CA . 51798 1 122 . 1 . 1 54 54 ILE CB C 13 38.567 0.02 . . . . . . . 40 ILE CB . 51798 1 123 . 1 . 1 54 54 ILE N N 15 119.604 0.01 . . . . . . . 40 ILE N . 51798 1 124 . 1 . 1 55 55 TYR H H 1 8.162 0.00 . . . . . . . 41 TYR H . 51798 1 125 . 1 . 1 55 55 TYR CA C 13 58.062 0.06 . . . . . . . 41 TYR CA . 51798 1 126 . 1 . 1 55 55 TYR CB C 13 38.662 0.01 . . . . . . . 41 TYR CB . 51798 1 127 . 1 . 1 55 55 TYR N N 15 123.359 0.01 . . . . . . . 41 TYR N . 51798 1 128 . 1 . 1 56 56 GLU H H 1 8.249 0.00 . . . . . . . 42 GLU H . 51798 1 129 . 1 . 1 56 56 GLU CA C 13 56.958 0.08 . . . . . . . 42 GLU CA . 51798 1 130 . 1 . 1 56 56 GLU CB C 13 30.306 0.05 . . . . . . . 42 GLU CB . 51798 1 131 . 1 . 1 56 56 GLU N N 15 122.041 0.05 . . . . . . . 42 GLU N . 51798 1 132 . 1 . 1 57 57 ASN H H 1 8.352 0.00 . . . . . . . 43 ASN H . 51798 1 133 . 1 . 1 57 57 ASN CA C 13 53.441 0.02 . . . . . . . 43 ASN CA . 51798 1 134 . 1 . 1 57 57 ASN CB C 13 38.820 0.01 . . . . . . . 43 ASN CB . 51798 1 135 . 1 . 1 57 57 ASN N N 15 119.167 0.06 . . . . . . . 43 ASN N . 51798 1 136 . 1 . 1 58 58 GLN H H 1 8.316 0.00 . . . . . . . 44 GLN H . 51798 1 137 . 1 . 1 58 58 GLN CA C 13 56.139 0.00 . . . . . . . 44 GLN CA . 51798 1 138 . 1 . 1 58 58 GLN CB C 13 29.442 0.00 . . . . . . . 44 GLN CB . 51798 1 139 . 1 . 1 58 58 GLN N N 15 120.524 0.10 . . . . . . . 44 GLN N . 51798 1 140 . 1 . 1 60 60 MET CA C 13 55.606 0.07 . . . . . . . 46 MET CA . 51798 1 141 . 1 . 1 60 60 MET CB C 13 32.802 0.03 . . . . . . . 46 MET CB . 51798 1 142 . 1 . 1 61 61 ASN H H 1 8.412 0.00 . . . . . . . 47 ASN H . 51798 1 143 . 1 . 1 61 61 ASN CA C 13 53.302 0.02 . . . . . . . 47 ASN CA . 51798 1 144 . 1 . 1 61 61 ASN CB C 13 39.171 0.08 . . . . . . . 47 ASN CB . 51798 1 145 . 1 . 1 61 61 ASN N N 15 119.971 0.03 . . . . . . . 47 ASN N . 51798 1 146 . 1 . 1 62 62 ASP H H 1 8.335 0.00 . . . . . . . 48 ASP H . 51798 1 147 . 1 . 1 62 62 ASP CA C 13 54.556 0.04 . . . . . . . 48 ASP CA . 51798 1 148 . 1 . 1 62 62 ASP CB C 13 41.156 0.02 . . . . . . . 48 ASP CB . 51798 1 149 . 1 . 1 62 62 ASP N N 15 121.088 0.08 . . . . . . . 48 ASP N . 51798 1 150 . 1 . 1 63 63 GLU H H 1 8.552 0.00 . . . . . . . 49 GLU H . 51798 1 151 . 1 . 1 63 63 GLU CA C 13 57.353 0.02 . . . . . . . 49 GLU CA . 51798 1 152 . 1 . 1 63 63 GLU CB C 13 29.813 0.01 . . . . . . . 49 GLU CB . 51798 1 153 . 1 . 1 63 63 GLU N N 15 122.151 0.02 . . . . . . . 49 GLU N . 51798 1 154 . 1 . 1 64 64 SER H H 1 8.373 0.00 . . . . . . . 50 SER H . 51798 1 155 . 1 . 1 64 64 SER CA C 13 59.648 0.07 . . . . . . . 50 SER CA . 51798 1 156 . 1 . 1 64 64 SER CB C 13 63.595 0.04 . . . . . . . 50 SER CB . 51798 1 157 . 1 . 1 64 64 SER N N 15 116.281 0.01 . . . . . . . 50 SER N . 51798 1 158 . 1 . 1 65 65 GLN H H 1 8.193 0.00 . . . . . . . 51 GLN H . 51798 1 159 . 1 . 1 65 65 GLN CA C 13 56.041 0.03 . . . . . . . 51 GLN CA . 51798 1 160 . 1 . 1 65 65 GLN CB C 13 29.197 0.09 . . . . . . . 51 GLN CB . 51798 1 161 . 1 . 1 65 65 GLN N N 15 121.195 0.03 . . . . . . . 51 GLN N . 51798 1 162 . 1 . 1 66 66 LEU H H 1 8.014 0.00 . . . . . . . 52 LEU H . 51798 1 163 . 1 . 1 66 66 LEU CA C 13 55.658 0.08 . . . . . . . 52 LEU CA . 51798 1 164 . 1 . 1 66 66 LEU CB C 13 42.300 0.03 . . . . . . . 52 LEU CB . 51798 1 165 . 1 . 1 66 66 LEU N N 15 121.815 0.02 . . . . . . . 52 LEU N . 51798 1 166 . 1 . 1 67 67 ASN H H 1 8.348 0.00 . . . . . . . 53 ASN H . 51798 1 167 . 1 . 1 67 67 ASN CA C 13 53.486 0.03 . . . . . . . 53 ASN CA . 51798 1 168 . 1 . 1 67 67 ASN CB C 13 38.845 0.01 . . . . . . . 53 ASN CB . 51798 1 169 . 1 . 1 67 67 ASN N N 15 118.844 0.01 . . . . . . . 53 ASN N . 51798 1 170 . 1 . 1 68 68 GLN H H 1 8.324 0.00 . . . . . . . 54 GLN H . 51798 1 171 . 1 . 1 68 68 GLN CA C 13 56.123 0.00 . . . . . . . 54 GLN CA . 51798 1 172 . 1 . 1 68 68 GLN CB C 13 29.442 0.00 . . . . . . . 54 GLN CB . 51798 1 173 . 1 . 1 68 68 GLN N N 15 120.671 0.05 . . . . . . . 54 GLN N . 51798 1 174 . 1 . 1 69 69 ASP CA C 13 54.638 0.03 . . . . . . . 55 ASP CA . 51798 1 175 . 1 . 1 69 69 ASP CB C 13 41.016 0.01 . . . . . . . 55 ASP CB . 51798 1 176 . 1 . 1 70 70 VAL H H 1 7.998 0.00 . . . . . . . 56 VAL H . 51798 1 177 . 1 . 1 70 70 VAL CA C 13 62.854 0.01 . . . . . . . 56 VAL CA . 51798 1 178 . 1 . 1 70 70 VAL CB C 13 32.413 0.04 . . . . . . . 56 VAL CB . 51798 1 179 . 1 . 1 70 70 VAL N N 15 120.556 0.03 . . . . . . . 56 VAL N . 51798 1 180 . 1 . 1 71 71 LYS H H 1 8.310 0.00 . . . . . . . 57 LYS H . 51798 1 181 . 1 . 1 71 71 LYS CA C 13 56.593 0.04 . . . . . . . 57 LYS CA . 51798 1 182 . 1 . 1 71 71 LYS CB C 13 32.714 0.05 . . . . . . . 57 LYS CB . 51798 1 183 . 1 . 1 71 71 LYS N N 15 124.481 0.01 . . . . . . . 57 LYS N . 51798 1 184 . 1 . 1 72 72 ILE H H 1 8.117 0.00 . . . . . . . 58 ILE H . 51798 1 185 . 1 . 1 72 72 ILE CA C 13 61.497 0.01 . . . . . . . 58 ILE CA . 51798 1 186 . 1 . 1 72 72 ILE CB C 13 38.630 0.04 . . . . . . . 58 ILE CB . 51798 1 187 . 1 . 1 72 72 ILE N N 15 121.700 0.07 . . . . . . . 58 ILE N . 51798 1 188 . 1 . 1 73 73 SER H H 1 8.324 0.01 . . . . . . . 59 SER H . 51798 1 189 . 1 . 1 73 73 SER CA C 13 58.788 0.07 . . . . . . . 59 SER CA . 51798 1 190 . 1 . 1 73 73 SER CB C 13 63.733 0.04 . . . . . . . 59 SER CB . 51798 1 191 . 1 . 1 73 73 SER N N 15 119.226 0.06 . . . . . . . 59 SER N . 51798 1 192 . 1 . 1 74 74 GLN H H 1 8.353 0.00 . . . . . . . 60 GLN H . 51798 1 193 . 1 . 1 74 74 GLN CA C 13 57.086 0.05 . . . . . . . 60 GLN CA . 51798 1 194 . 1 . 1 74 74 GLN CB C 13 30.293 0.01 . . . . . . . 60 GLN CB . 51798 1 195 . 1 . 1 74 74 GLN N N 15 122.347 0.01 . . . . . . . 60 GLN N . 51798 1 196 . 1 . 1 75 75 GLN H H 1 8.387 0.01 . . . . . . . 61 GLN H . 51798 1 197 . 1 . 1 75 75 GLN CA C 13 56.104 0.01 . . . . . . . 61 GLN CA . 51798 1 198 . 1 . 1 75 75 GLN CB C 13 29.367 0.03 . . . . . . . 61 GLN CB . 51798 1 199 . 1 . 1 75 75 GLN N N 15 120.916 0.07 . . . . . . . 61 GLN N . 51798 1 200 . 1 . 1 76 76 LYS H H 1 8.342 0.00 . . . . . . . 62 LYS H . 51798 1 201 . 1 . 1 76 76 LYS CA C 13 56.505 0.00 . . . . . . . 62 LYS CA . 51798 1 202 . 1 . 1 76 76 LYS CB C 13 33.126 0.01 . . . . . . . 62 LYS CB . 51798 1 203 . 1 . 1 76 76 LYS N N 15 122.736 0.04 . . . . . . . 62 LYS N . 51798 1 204 . 1 . 1 77 77 GLU H H 1 8.463 0.00 . . . . . . . 63 GLU H . 51798 1 205 . 1 . 1 77 77 GLU CA C 13 56.510 0.00 . . . . . . . 63 GLU CA . 51798 1 206 . 1 . 1 77 77 GLU CB C 13 30.224 0.00 . . . . . . . 63 GLU CB . 51798 1 207 . 1 . 1 77 77 GLU N N 15 122.019 0.03 . . . . . . . 63 GLU N . 51798 1 208 . 1 . 1 78 78 GLN H H 1 8.362 0.00 . . . . . . . 64 GLN H . 51798 1 209 . 1 . 1 78 78 GLN CA C 13 55.845 0.08 . . . . . . . 64 GLN CA . 51798 1 210 . 1 . 1 78 78 GLN CB C 13 29.614 0.03 . . . . . . . 64 GLN CB . 51798 1 211 . 1 . 1 78 78 GLN N N 15 121.295 0.07 . . . . . . . 64 GLN N . 51798 1 212 . 1 . 1 79 79 ALA H H 1 8.344 0.00 . . . . . . . 65 ALA H . 51798 1 213 . 1 . 1 79 79 ALA CA C 13 52.568 0.06 . . . . . . . 65 ALA CA . 51798 1 214 . 1 . 1 79 79 ALA CB C 13 19.227 0.02 . . . . . . . 65 ALA CB . 51798 1 215 . 1 . 1 79 79 ALA N N 15 125.948 0.01 . . . . . . . 65 ALA N . 51798 1 216 . 1 . 1 80 80 VAL H H 1 8.109 0.00 . . . . . . . 66 VAL H . 51798 1 217 . 1 . 1 80 80 VAL CA C 13 62.512 0.04 . . . . . . . 66 VAL CA . 51798 1 218 . 1 . 1 80 80 VAL CB C 13 32.810 0.02 . . . . . . . 66 VAL CB . 51798 1 219 . 1 . 1 80 80 VAL N N 15 119.589 0.01 . . . . . . . 66 VAL N . 51798 1 220 . 1 . 1 81 81 GLU H H 1 8.474 0.00 . . . . . . . 67 GLU H . 51798 1 221 . 1 . 1 81 81 GLU CA C 13 56.724 0.06 . . . . . . . 67 GLU CA . 51798 1 222 . 1 . 1 81 81 GLU CB C 13 30.376 0.02 . . . . . . . 67 GLU CB . 51798 1 223 . 1 . 1 81 81 GLU N N 15 124.310 0.02 . . . . . . . 67 GLU N . 51798 1 224 . 1 . 1 82 82 MET H H 1 8.385 0.00 . . . . . . . 68 MET H . 51798 1 225 . 1 . 1 82 82 MET CA C 13 55.520 0.08 . . . . . . . 68 MET CA . 51798 1 226 . 1 . 1 82 82 MET CB C 13 32.889 0.03 . . . . . . . 68 MET CB . 51798 1 227 . 1 . 1 82 82 MET N N 15 122.135 0.03 . . . . . . . 68 MET N . 51798 1 228 . 1 . 1 83 83 ILE H H 1 8.166 0.00 . . . . . . . 69 ILE H . 51798 1 229 . 1 . 1 83 83 ILE CA C 13 61.430 0.02 . . . . . . . 69 ILE CA . 51798 1 230 . 1 . 1 83 83 ILE CB C 13 38.750 0.04 . . . . . . . 69 ILE CB . 51798 1 231 . 1 . 1 83 83 ILE N N 15 122.806 0.03 . . . . . . . 69 ILE N . 51798 1 232 . 1 . 1 84 84 GLU H H 1 8.520 0.00 . . . . . . . 70 GLU H . 51798 1 233 . 1 . 1 84 84 GLU CA C 13 57.103 0.04 . . . . . . . 70 GLU CA . 51798 1 234 . 1 . 1 84 84 GLU CB C 13 30.213 0.09 . . . . . . . 70 GLU CB . 51798 1 235 . 1 . 1 84 84 GLU N N 15 125.009 0.02 . . . . . . . 70 GLU N . 51798 1 236 . 1 . 1 85 85 GLU H H 1 8.244 0.00 . . . . . . . 71 GLU H . 51798 1 237 . 1 . 1 85 85 GLU CA C 13 56.772 0.00 . . . . . . . 71 GLU CA . 51798 1 238 . 1 . 1 85 85 GLU CB C 13 30.226 0.00 . . . . . . . 71 GLU CB . 51798 1 239 . 1 . 1 85 85 GLU N N 15 121.230 0.05 . . . . . . . 71 GLU N . 51798 1 240 . 1 . 1 86 86 GLN CA C 13 55.687 0.00 . . . . . . . 72 GLN CA . 51798 1 241 . 1 . 1 86 86 GLN CB C 13 29.716 0.00 . . . . . . . 72 GLN CB . 51798 1 242 . 1 . 1 87 87 GLN H H 1 8.413 0.00 . . . . . . . 73 GLN H . 51798 1 243 . 1 . 1 87 87 GLN CA C 13 55.883 0.05 . . . . . . . 73 GLN CA . 51798 1 244 . 1 . 1 87 87 GLN CB C 13 29.578 0.05 . . . . . . . 73 GLN CB . 51798 1 245 . 1 . 1 87 87 GLN N N 15 122.362 0.03 . . . . . . . 73 GLN N . 51798 1 246 . 1 . 1 88 88 GLN H H 1 8.490 0.00 . . . . . . . 74 GLN H . 51798 1 247 . 1 . 1 88 88 GLN N N 15 122.462 0.01 . . . . . . . 74 GLN N . 51798 1 248 . 1 . 1 89 89 ASN H H 1 8.254 0.00 . . . . . . . 75 ASN H . 51798 1 249 . 1 . 1 89 89 ASN CA C 13 54.612 0.00 . . . . . . . 75 ASN CA . 51798 1 250 . 1 . 1 89 89 ASN CB C 13 41.050 0.04 . . . . . . . 75 ASN CB . 51798 1 251 . 1 . 1 89 89 ASN N N 15 120.330 0.01 . . . . . . . 75 ASN N . 51798 1 252 . 1 . 1 90 90 ASN H H 1 8.207 0.00 . . . . . . . 76 ASN H . 51798 1 253 . 1 . 1 90 90 ASN CA C 13 54.766 0.05 . . . . . . . 76 ASN CA . 51798 1 254 . 1 . 1 90 90 ASN CB C 13 41.151 0.08 . . . . . . . 76 ASN CB . 51798 1 255 . 1 . 1 90 90 ASN N N 15 120.180 0.03 . . . . . . . 76 ASN N . 51798 1 256 . 1 . 1 91 91 GLN H H 1 8.285 0.00 . . . . . . . 77 GLN H . 51798 1 257 . 1 . 1 91 91 GLN CA C 13 56.741 0.12 . . . . . . . 77 GLN CA . 51798 1 258 . 1 . 1 91 91 GLN CB C 13 30.250 0.05 . . . . . . . 77 GLN CB . 51798 1 259 . 1 . 1 91 91 GLN N N 15 120.857 0.02 . . . . . . . 77 GLN N . 51798 1 260 . 1 . 1 92 92 ASP H H 1 8.116 0.00 . . . . . . . 78 ASP H . 51798 1 261 . 1 . 1 92 92 ASP CA C 13 55.394 0.00 . . . . . . . 78 ASP CA . 51798 1 262 . 1 . 1 92 92 ASP CB C 13 42.487 0.02 . . . . . . . 78 ASP CB . 51798 1 263 . 1 . 1 92 92 ASP N N 15 122.831 0.05 . . . . . . . 78 ASP N . 51798 1 264 . 1 . 1 93 93 LYS H H 1 8.353 0.00 . . . . . . . 79 LYS H . 51798 1 265 . 1 . 1 93 93 LYS CA C 13 56.797 0.12 . . . . . . . 79 LYS CA . 51798 1 266 . 1 . 1 93 93 LYS CB C 13 30.398 0.07 . . . . . . . 79 LYS CB . 51798 1 267 . 1 . 1 93 93 LYS N N 15 121.680 0.04 . . . . . . . 79 LYS N . 51798 1 268 . 1 . 1 94 94 PHE H H 1 8.466 0.00 . . . . . . . 80 PHE H . 51798 1 269 . 1 . 1 94 94 PHE CA C 13 53.151 0.07 . . . . . . . 80 PHE CA . 51798 1 270 . 1 . 1 94 94 PHE CB C 13 39.049 0.05 . . . . . . . 80 PHE CB . 51798 1 271 . 1 . 1 94 94 PHE N N 15 119.947 0.05 . . . . . . . 80 PHE N . 51798 1 272 . 1 . 1 95 95 LYS H H 1 8.436 0.00 . . . . . . . 81 LYS H . 51798 1 273 . 1 . 1 95 95 LYS CA C 13 55.755 0.00 . . . . . . . 81 LYS CA . 51798 1 274 . 1 . 1 95 95 LYS CB C 13 29.695 0.00 . . . . . . . 81 LYS CB . 51798 1 275 . 1 . 1 95 95 LYS N N 15 120.274 0.04 . . . . . . . 81 LYS N . 51798 1 276 . 1 . 1 96 96 GLN CA C 13 56.544 0.07 . . . . . . . 82 GLN CA . 51798 1 277 . 1 . 1 96 96 GLN CB C 13 29.267 0.05 . . . . . . . 82 GLN CB . 51798 1 278 . 1 . 1 97 97 PHE H H 1 8.170 0.01 . . . . . . . 83 PHE H . 51798 1 279 . 1 . 1 97 97 PHE CA C 13 58.264 0.00 . . . . . . . 83 PHE CA . 51798 1 280 . 1 . 1 97 97 PHE CB C 13 39.334 0.00 . . . . . . . 83 PHE CB . 51798 1 281 . 1 . 1 97 97 PHE N N 15 120.583 0.29 . . . . . . . 83 PHE N . 51798 1 282 . 1 . 1 98 98 GLN CA C 13 62.374 0.07 . . . . . . . 84 GLN CA . 51798 1 283 . 1 . 1 98 98 GLN CB C 13 32.971 0.03 . . . . . . . 84 GLN CB . 51798 1 284 . 1 . 1 99 99 ASP H H 1 8.484 0.00 . . . . . . . 85 ASP H . 51798 1 285 . 1 . 1 99 99 ASP CA C 13 54.736 0.08 . . . . . . . 85 ASP CA . 51798 1 286 . 1 . 1 99 99 ASP CB C 13 41.141 0.14 . . . . . . . 85 ASP CB . 51798 1 287 . 1 . 1 99 99 ASP N N 15 123.066 0.05 . . . . . . . 85 ASP N . 51798 1 288 . 1 . 1 100 100 CYS H H 1 8.258 0.00 . . . . . . . 86 CYS H . 51798 1 289 . 1 . 1 100 100 CYS CA C 13 59.280 0.01 . . . . . . . 86 CYS CA . 51798 1 290 . 1 . 1 100 100 CYS CB C 13 27.709 0.02 . . . . . . . 86 CYS CB . 51798 1 291 . 1 . 1 100 100 CYS N N 15 119.054 0.04 . . . . . . . 86 CYS N . 51798 1 292 . 1 . 1 101 101 MET H H 1 8.308 0.00 . . . . . . . 87 MET H . 51798 1 293 . 1 . 1 101 101 MET CA C 13 55.776 0.04 . . . . . . . 87 MET CA . 51798 1 294 . 1 . 1 101 101 MET CB C 13 32.290 0.08 . . . . . . . 87 MET CB . 51798 1 295 . 1 . 1 101 101 MET N N 15 121.217 0.07 . . . . . . . 87 MET N . 51798 1 296 . 1 . 1 102 102 ALA H H 1 8.060 0.00 . . . . . . . 88 ALA H . 51798 1 297 . 1 . 1 102 102 ALA CA C 13 53.255 0.03 . . . . . . . 88 ALA CA . 51798 1 298 . 1 . 1 102 102 ALA CB C 13 18.947 0.02 . . . . . . . 88 ALA CB . 51798 1 299 . 1 . 1 102 102 ALA N N 15 123.761 0.02 . . . . . . . 88 ALA N . 51798 1 300 . 1 . 1 103 103 HIS H H 1 8.200 0.00 . . . . . . . 89 HIS H . 51798 1 301 . 1 . 1 103 103 HIS CA C 13 56.236 0.03 . . . . . . . 89 HIS CA . 51798 1 302 . 1 . 1 103 103 HIS CB C 13 29.905 0.02 . . . . . . . 89 HIS CB . 51798 1 303 . 1 . 1 103 103 HIS N N 15 117.346 0.03 . . . . . . . 89 HIS N . 51798 1 304 . 1 . 1 104 104 ILE H H 1 7.907 0.00 . . . . . . . 90 ILE H . 51798 1 305 . 1 . 1 104 104 ILE CA C 13 61.729 0.05 . . . . . . . 90 ILE CA . 51798 1 306 . 1 . 1 104 104 ILE CB C 13 38.391 0.03 . . . . . . . 90 ILE CB . 51798 1 307 . 1 . 1 104 104 ILE N N 15 121.725 0.01 . . . . . . . 90 ILE N . 51798 1 308 . 1 . 1 105 105 THR H H 1 8.178 0.00 . . . . . . . 91 THR H . 51798 1 309 . 1 . 1 105 105 THR CA C 13 62.829 0.03 . . . . . . . 91 THR CA . 51798 1 310 . 1 . 1 105 105 THR CB C 13 69.698 0.05 . . . . . . . 91 THR CB . 51798 1 311 . 1 . 1 105 105 THR N N 15 117.406 0.01 . . . . . . . 91 THR N . 51798 1 312 . 1 . 1 106 106 GLU H H 1 8.270 0.00 . . . . . . . 92 GLU H . 51798 1 313 . 1 . 1 106 106 GLU CA C 13 57.092 0.10 . . . . . . . 92 GLU CA . 51798 1 314 . 1 . 1 106 106 GLU CB C 13 30.010 0.06 . . . . . . . 92 GLU CB . 51798 1 315 . 1 . 1 106 106 GLU N N 15 122.844 0.02 . . . . . . . 92 GLU N . 51798 1 316 . 1 . 1 107 107 LEU H H 1 8.118 0.00 . . . . . . . 93 LEU H . 51798 1 317 . 1 . 1 107 107 LEU CA C 13 55.938 0.02 . . . . . . . 93 LEU CA . 51798 1 318 . 1 . 1 107 107 LEU CB C 13 42.171 0.01 . . . . . . . 93 LEU CB . 51798 1 319 . 1 . 1 107 107 LEU N N 15 121.917 0.10 . . . . . . . 93 LEU N . 51798 1 320 . 1 . 1 108 108 ASN H H 1 8.262 0.00 . . . . . . . 94 ASN H . 51798 1 321 . 1 . 1 108 108 ASN CA C 13 53.686 0.02 . . . . . . . 94 ASN CA . 51798 1 322 . 1 . 1 108 108 ASN CB C 13 38.656 0.01 . . . . . . . 94 ASN CB . 51798 1 323 . 1 . 1 108 108 ASN N N 15 118.133 0.01 . . . . . . . 94 ASN N . 51798 1 324 . 1 . 1 109 109 PHE H H 1 7.998 0.00 . . . . . . . 95 PHE H . 51798 1 325 . 1 . 1 109 109 PHE CA C 13 57.986 0.07 . . . . . . . 95 PHE CA . 51798 1 326 . 1 . 1 109 109 PHE CB C 13 38.743 0.09 . . . . . . . 95 PHE CB . 51798 1 327 . 1 . 1 109 109 PHE N N 15 120.495 0.07 . . . . . . . 95 PHE N . 51798 1 328 . 1 . 1 110 110 LYS H H 1 8.189 0.00 . . . . . . . 96 LYS H . 51798 1 329 . 1 . 1 110 110 LYS CA C 13 55.689 0.00 . . . . . . . 96 LYS CA . 51798 1 330 . 1 . 1 110 110 LYS CB C 13 29.437 0.00 . . . . . . . 96 LYS CB . 51798 1 331 . 1 . 1 110 110 LYS N N 15 122.052 0.02 . . . . . . . 96 LYS N . 51798 1 332 . 1 . 1 111 111 ARG CA C 13 56.203 0.02 . . . . . . . 97 ARG CA . 51798 1 333 . 1 . 1 111 111 ARG CB C 13 29.466 0.02 . . . . . . . 97 ARG CB . 51798 1 334 . 1 . 1 112 112 ASN H H 1 8.402 0.00 . . . . . . . 98 ASN H . 51798 1 335 . 1 . 1 112 112 ASN CA C 13 54.658 0.06 . . . . . . . 98 ASN CA . 51798 1 336 . 1 . 1 112 112 ASN CB C 13 41.027 0.03 . . . . . . . 98 ASN CB . 51798 1 337 . 1 . 1 112 112 ASN N N 15 121.243 0.02 . . . . . . . 98 ASN N . 51798 1 338 . 1 . 1 113 113 TYR H H 1 8.002 0.00 . . . . . . . 99 TYR H . 51798 1 339 . 1 . 1 113 113 TYR CA C 13 58.005 0.06 . . . . . . . 99 TYR CA . 51798 1 340 . 1 . 1 113 113 TYR CB C 13 38.732 0.09 . . . . . . . 99 TYR CB . 51798 1 341 . 1 . 1 113 113 TYR N N 15 120.572 0.06 . . . . . . . 99 TYR N . 51798 1 342 . 1 . 1 114 114 GLN H H 1 8.249 0.00 . . . . . . . 100 GLN H . 51798 1 343 . 1 . 1 114 114 GLN CA C 13 56.958 0.08 . . . . . . . 100 GLN CA . 51798 1 344 . 1 . 1 114 114 GLN CB C 13 30.306 0.05 . . . . . . . 100 GLN CB . 51798 1 345 . 1 . 1 114 114 GLN N N 15 122.042 0.05 . . . . . . . 100 GLN N . 51798 1 346 . 1 . 1 115 115 ASN H H 1 8.351 0.00 . . . . . . . 101 ASN H . 51798 1 347 . 1 . 1 115 115 ASN CA C 13 53.217 0.04 . . . . . . . 101 ASN CA . 51798 1 348 . 1 . 1 115 115 ASN CB C 13 38.737 0.07 . . . . . . . 101 ASN CB . 51798 1 349 . 1 . 1 115 115 ASN N N 15 119.135 0.08 . . . . . . . 101 ASN N . 51798 1 350 . 1 . 1 116 116 LEU H H 1 8.247 0.00 . . . . . . . 102 LEU H . 51798 1 351 . 1 . 1 116 116 LEU CA C 13 55.732 0.05 . . . . . . . 102 LEU CA . 51798 1 352 . 1 . 1 116 116 LEU CB C 13 42.245 0.06 . . . . . . . 102 LEU CB . 51798 1 353 . 1 . 1 116 116 LEU N N 15 122.860 0.06 . . . . . . . 102 LEU N . 51798 1 354 . 1 . 1 117 117 THR H H 1 8.093 0.00 . . . . . . . 103 THR H . 51798 1 355 . 1 . 1 117 117 THR CA C 13 62.267 0.06 . . . . . . . 103 THR CA . 51798 1 356 . 1 . 1 117 117 THR CB C 13 69.809 0.02 . . . . . . . 103 THR CB . 51798 1 357 . 1 . 1 117 117 THR N N 15 113.901 0.00 . . . . . . . 103 THR N . 51798 1 358 . 1 . 1 118 118 GLU H H 1 8.313 0.00 . . . . . . . 104 GLU H . 51798 1 359 . 1 . 1 118 118 GLU CA C 13 56.843 0.01 . . . . . . . 104 GLU CA . 51798 1 360 . 1 . 1 118 118 GLU CB C 13 30.176 0.10 . . . . . . . 104 GLU CB . 51798 1 361 . 1 . 1 118 118 GLU N N 15 122.904 0.02 . . . . . . . 104 GLU N . 51798 1 362 . 1 . 1 119 119 GLN H H 1 8.318 0.01 . . . . . . . 105 GLN H . 51798 1 363 . 1 . 1 119 119 GLN CA C 13 55.916 0.04 . . . . . . . 105 GLN CA . 51798 1 364 . 1 . 1 119 119 GLN CB C 13 29.474 0.01 . . . . . . . 105 GLN CB . 51798 1 365 . 1 . 1 119 119 GLN N N 15 121.223 0.09 . . . . . . . 105 GLN N . 51798 1 366 . 1 . 1 120 120 SER H H 1 8.380 0.00 . . . . . . . 106 SER H . 51798 1 367 . 1 . 1 120 120 SER CA C 13 58.478 0.04 . . . . . . . 106 SER CA . 51798 1 368 . 1 . 1 120 120 SER CB C 13 64.062 0.06 . . . . . . . 106 SER CB . 51798 1 369 . 1 . 1 120 120 SER N N 15 117.169 0.05 . . . . . . . 106 SER N . 51798 1 370 . 1 . 1 121 121 SER H H 1 8.383 0.00 . . . . . . . 107 SER H . 51798 1 371 . 1 . 1 121 121 SER CA C 13 58.401 0.06 . . . . . . . 107 SER CA . 51798 1 372 . 1 . 1 121 121 SER CB C 13 64.059 0.06 . . . . . . . 107 SER CB . 51798 1 373 . 1 . 1 121 121 SER N N 15 117.746 0.04 . . . . . . . 107 SER N . 51798 1 374 . 1 . 1 122 122 SER H H 1 8.359 0.00 . . . . . . . 108 SER H . 51798 1 375 . 1 . 1 122 122 SER CA C 13 58.404 0.07 . . . . . . . 108 SER CA . 51798 1 376 . 1 . 1 122 122 SER CB C 13 64.099 0.03 . . . . . . . 108 SER CB . 51798 1 377 . 1 . 1 122 122 SER N N 15 117.896 0.04 . . . . . . . 108 SER N . 51798 1 378 . 1 . 1 123 123 ASN H H 1 8.067 0.00 . . . . . . . 109 ASN H . 51798 1 379 . 1 . 1 123 123 ASN CA C 13 54.902 0.00 . . . . . . . 109 ASN CA . 51798 1 380 . 1 . 1 123 123 ASN CB C 13 40.427 0.00 . . . . . . . 109 ASN CB . 51798 1 381 . 1 . 1 123 123 ASN N N 15 125.894 0.02 . . . . . . . 109 ASN N . 51798 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51798 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'N-terminal disordered domain of Tetrahymena telomerase protein p65 with SDS' _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' . . . 51798 2 2 '3D HNCACB' . . . 51798 2 3 '3D CBCACONH' . . . 51798 2 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 . . 51798 2 2 $software_2 . . 51798 2 3 $software_3 . . 51798 2 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 19 19 LEU CA C 13 54.944 0.02 . . . . . . . 5 LEU CA . 51798 2 2 . 1 . 1 19 19 LEU CB C 13 42.686 0.01 . . . . . . . 5 LEU CB . 51798 2 3 . 1 . 1 20 20 GLU H H 1 8.271 0.00 . . . . . . . 6 GLU H . 51798 2 4 . 1 . 1 20 20 GLU CA C 13 56.627 0.09 . . . . . . . 6 GLU CA . 51798 2 5 . 1 . 1 20 20 GLU CB C 13 30.282 0.02 . . . . . . . 6 GLU CB . 51798 2 6 . 1 . 1 20 20 GLU N N 15 121.779 0.07 . . . . . . . 6 GLU N . 51798 2 7 . 1 . 1 21 21 ASN H H 1 8.459 0.00 . . . . . . . 7 ASN H . 51798 2 8 . 1 . 1 21 21 ASN CA C 13 53.314 0.05 . . . . . . . 7 ASN CA . 51798 2 9 . 1 . 1 21 21 ASN CB C 13 38.993 0.06 . . . . . . . 7 ASN CB . 51798 2 10 . 1 . 1 21 21 ASN N N 15 120.012 0.03 . . . . . . . 7 ASN N . 51798 2 11 . 1 . 1 22 22 THR H H 1 8.188 0.00 . . . . . . . 8 THR H . 51798 2 12 . 1 . 1 22 22 THR CA C 13 62.223 0.04 . . . . . . . 8 THR CA . 51798 2 13 . 1 . 1 22 22 THR CB C 13 69.781 0.02 . . . . . . . 8 THR CB . 51798 2 14 . 1 . 1 22 22 THR N N 15 114.699 0.08 . . . . . . . 8 THR N . 51798 2 15 . 1 . 1 23 23 ASN H H 1 8.502 0.00 . . . . . . . 9 ASN H . 51798 2 16 . 1 . 1 23 23 ASN CA C 13 53.347 0.05 . . . . . . . 9 ASN CA . 51798 2 17 . 1 . 1 23 23 ASN CB C 13 38.786 0.04 . . . . . . . 9 ASN CB . 51798 2 18 . 1 . 1 23 23 ASN N N 15 121.491 0.05 . . . . . . . 9 ASN N . 51798 2 19 . 1 . 1 24 24 LEU H H 1 8.287 0.00 . . . . . . . 10 LEU H . 51798 2 20 . 1 . 1 24 24 LEU CA C 13 55.797 0.00 . . . . . . . 10 LEU CA . 51798 2 21 . 1 . 1 24 24 LEU CB C 13 42.323 0.00 . . . . . . . 10 LEU CB . 51798 2 22 . 1 . 1 24 24 LEU N N 15 123.199 0.02 . . . . . . . 10 LEU N . 51798 2 23 . 1 . 1 25 25 GLU CA C 13 56.990 0.00 . . . . . . . 11 GLU CA . 51798 2 24 . 1 . 1 25 25 GLU CB C 13 30.249 0.00 . . . . . . . 11 GLU CB . 51798 2 25 . 1 . 1 26 26 GLU H H 1 8.330 0.00 . . . . . . . 12 GLU H . 51798 2 26 . 1 . 1 26 26 GLU CA C 13 58.445 0.04 . . . . . . . 12 GLU CA . 51798 2 27 . 1 . 1 26 26 GLU CB C 13 28.116 0.04 . . . . . . . 12 GLU CB . 51798 2 28 . 1 . 1 26 26 GLU N N 15 120.357 0.00 . . . . . . . 12 GLU N . 51798 2 29 . 1 . 1 27 27 LEU H H 1 8.400 0.00 . . . . . . . 13 LEU H . 51798 2 30 . 1 . 1 27 27 LEU CA C 13 57.885 0.06 . . . . . . . 13 LEU CA . 51798 2 31 . 1 . 1 27 27 LEU CB C 13 39.559 0.03 . . . . . . . 13 LEU CB . 51798 2 32 . 1 . 1 27 27 LEU N N 15 123.510 0.00 . . . . . . . 13 LEU N . 51798 2 33 . 1 . 1 28 28 GLU H H 1 8.242 0.00 . . . . . . . 14 GLU H . 51798 2 34 . 1 . 1 28 28 GLU CA C 13 55.418 0.01 . . . . . . . 14 GLU CA . 51798 2 35 . 1 . 1 28 28 GLU CB C 13 33.214 0.07 . . . . . . . 14 GLU CB . 51798 2 36 . 1 . 1 28 28 GLU N N 15 122.855 0.03 . . . . . . . 14 GLU N . 51798 2 37 . 1 . 1 29 29 GLN H H 1 8.369 0.00 . . . . . . . 15 GLN H . 51798 2 38 . 1 . 1 29 29 GLN CA C 13 56.811 0.00 . . . . . . . 15 GLN CA . 51798 2 39 . 1 . 1 29 29 GLN CB C 13 30.338 0.00 . . . . . . . 15 GLN CB . 51798 2 40 . 1 . 1 29 29 GLN N N 15 122.255 0.03 . . . . . . . 15 GLN N . 51798 2 41 . 1 . 1 30 30 GLU H H 1 8.392 0.00 . . . . . . . 16 GLU H . 51798 2 42 . 1 . 1 30 30 GLU CA C 13 56.648 0.32 . . . . . . . 16 GLU CA . 51798 2 43 . 1 . 1 30 30 GLU CB C 13 30.219 0.03 . . . . . . . 16 GLU CB . 51798 2 44 . 1 . 1 30 30 GLU N N 15 121.821 0.21 . . . . . . . 16 GLU N . 51798 2 45 . 1 . 1 31 31 CYS H H 1 8.299 0.00 . . . . . . . 17 CYS H . 51798 2 46 . 1 . 1 31 31 CYS CA C 13 56.843 0.04 . . . . . . . 17 CYS CA . 51798 2 47 . 1 . 1 31 31 CYS CB C 13 30.329 0.07 . . . . . . . 17 CYS CB . 51798 2 48 . 1 . 1 31 31 CYS N N 15 121.497 0.05 . . . . . . . 17 CYS N . 51798 2 49 . 1 . 1 32 32 PHE H H 1 8.265 0.00 . . . . . . . 18 PHE H . 51798 2 50 . 1 . 1 32 32 PHE CB C 13 38.468 0.00 . . . . . . . 18 PHE CB . 51798 2 51 . 1 . 1 32 32 PHE N N 15 121.366 0.01 . . . . . . . 18 PHE N . 51798 2 52 . 1 . 1 35 35 ASP CA C 13 58.166 0.03 . . . . . . . 21 ASP CA . 51798 2 53 . 1 . 1 35 35 ASP CB C 13 38.487 0.02 . . . . . . . 21 ASP CB . 51798 2 54 . 1 . 1 36 36 TYR H H 1 7.990 0.00 . . . . . . . 22 TYR H . 51798 2 55 . 1 . 1 36 36 TYR CA C 13 55.018 0.00 . . . . . . . 22 TYR CA . 51798 2 56 . 1 . 1 36 36 TYR CB C 13 42.711 0.00 . . . . . . . 22 TYR CB . 51798 2 57 . 1 . 1 36 36 TYR N N 15 124.538 0.03 . . . . . . . 22 TYR N . 51798 2 58 . 1 . 1 38 38 HIS CA C 13 56.147 0.01 . . . . . . . 24 HIS CA . 51798 2 59 . 1 . 1 38 38 HIS CB C 13 30.110 0.04 . . . . . . . 24 HIS CB . 51798 2 60 . 1 . 1 39 39 GLU H H 1 8.442 0.00 . . . . . . . 25 GLU H . 51798 2 61 . 1 . 1 39 39 GLU CA C 13 56.453 0.00 . . . . . . . 25 GLU CA . 51798 2 62 . 1 . 1 39 39 GLU CB C 13 30.428 0.00 . . . . . . . 25 GLU CB . 51798 2 63 . 1 . 1 39 39 GLU N N 15 122.692 0.02 . . . . . . . 25 GLU N . 51798 2 64 . 1 . 1 40 40 ASP H H 1 8.422 0.00 . . . . . . . 26 ASP H . 51798 2 65 . 1 . 1 40 40 ASP CA C 13 54.571 0.09 . . . . . . . 26 ASP CA . 51798 2 66 . 1 . 1 40 40 ASP CB C 13 41.171 0.05 . . . . . . . 26 ASP CB . 51798 2 67 . 1 . 1 40 40 ASP N N 15 121.482 0.00 . . . . . . . 26 ASP N . 51798 2 68 . 1 . 1 41 41 VAL H H 1 8.158 0.00 . . . . . . . 27 VAL H . 51798 2 69 . 1 . 1 41 41 VAL CA C 13 62.464 0.06 . . . . . . . 27 VAL CA . 51798 2 70 . 1 . 1 41 41 VAL CB C 13 32.784 0.05 . . . . . . . 27 VAL CB . 51798 2 71 . 1 . 1 41 41 VAL N N 15 120.958 0.05 . . . . . . . 27 VAL N . 51798 2 72 . 1 . 1 42 42 VAL H H 1 8.244 0.00 . . . . . . . 28 VAL H . 51798 2 73 . 1 . 1 42 42 VAL CA C 13 62.412 0.05 . . . . . . . 28 VAL CA . 51798 2 74 . 1 . 1 42 42 VAL CB C 13 32.754 0.01 . . . . . . . 28 VAL CB . 51798 2 75 . 1 . 1 42 42 VAL N N 15 124.790 0.02 . . . . . . . 28 VAL N . 51798 2 76 . 1 . 1 43 43 GLU H H 1 8.512 0.00 . . . . . . . 29 GLU H . 51798 2 77 . 1 . 1 43 43 GLU CA C 13 56.671 0.07 . . . . . . . 29 GLU CA . 51798 2 78 . 1 . 1 43 43 GLU CB C 13 30.317 0.10 . . . . . . . 29 GLU CB . 51798 2 79 . 1 . 1 43 43 GLU N N 15 125.406 0.06 . . . . . . . 29 GLU N . 51798 2 80 . 1 . 1 44 44 GLN H H 1 8.447 0.00 . . . . . . . 30 GLN H . 51798 2 81 . 1 . 1 44 44 GLN CA C 13 56.103 0.05 . . . . . . . 30 GLN CA . 51798 2 82 . 1 . 1 44 44 GLN CB C 13 29.801 0.01 . . . . . . . 30 GLN CB . 51798 2 83 . 1 . 1 44 44 GLN N N 15 121.818 0.02 . . . . . . . 30 GLN N . 51798 2 84 . 1 . 1 45 45 GLU H H 1 8.508 0.00 . . . . . . . 31 GLU H . 51798 2 85 . 1 . 1 45 45 GLU CA C 13 56.990 0.00 . . . . . . . 31 GLU CA . 51798 2 86 . 1 . 1 45 45 GLU CB C 13 30.249 0.00 . . . . . . . 31 GLU CB . 51798 2 87 . 1 . 1 45 45 GLU N N 15 122.318 0.00 . . . . . . . 31 GLU N . 51798 2 88 . 1 . 1 48 48 GLN CA C 13 56.011 0.08 . . . . . . . 34 GLN CA . 51798 2 89 . 1 . 1 48 48 GLN CB C 13 29.399 0.02 . . . . . . . 34 GLN CB . 51798 2 90 . 1 . 1 49 49 VAL H H 1 8.230 0.00 . . . . . . . 35 VAL H . 51798 2 91 . 1 . 1 49 49 VAL CA C 13 62.299 0.05 . . . . . . . 35 VAL CA . 51798 2 92 . 1 . 1 49 49 VAL CB C 13 32.954 0.03 . . . . . . . 35 VAL CB . 51798 2 93 . 1 . 1 49 49 VAL N N 15 121.675 0.05 . . . . . . . 35 VAL N . 51798 2 94 . 1 . 1 50 50 ASP H H 1 8.474 0.00 . . . . . . . 36 ASP H . 51798 2 95 . 1 . 1 50 50 ASP CA C 13 54.407 0.08 . . . . . . . 36 ASP CA . 51798 2 96 . 1 . 1 50 50 ASP CB C 13 41.539 0.01 . . . . . . . 36 ASP CB . 51798 2 97 . 1 . 1 50 50 ASP N N 15 124.529 0.03 . . . . . . . 36 ASP N . 51798 2 98 . 1 . 1 51 51 ALA H H 1 8.332 0.00 . . . . . . . 37 ALA H . 51798 2 99 . 1 . 1 51 51 ALA CA C 13 52.938 0.08 . . . . . . . 37 ALA CA . 51798 2 100 . 1 . 1 51 51 ALA CB C 13 19.248 0.03 . . . . . . . 37 ALA CB . 51798 2 101 . 1 . 1 51 51 ALA N N 15 125.179 0.01 . . . . . . . 37 ALA N . 51798 2 102 . 1 . 1 52 52 ASN H H 1 8.474 0.00 . . . . . . . 38 ASN H . 51798 2 103 . 1 . 1 52 52 ASN CA C 13 53.666 0.08 . . . . . . . 38 ASN CA . 51798 2 104 . 1 . 1 52 52 ASN CB C 13 39.160 0.02 . . . . . . . 38 ASN CB . 51798 2 105 . 1 . 1 52 52 ASN N N 15 117.337 0.07 . . . . . . . 38 ASN N . 51798 2 106 . 1 . 1 53 53 ASP H H 1 8.238 0.00 . . . . . . . 39 ASP H . 51798 2 107 . 1 . 1 53 53 ASP CA C 13 54.689 0.07 . . . . . . . 39 ASP CA . 51798 2 108 . 1 . 1 53 53 ASP CB C 13 41.153 0.01 . . . . . . . 39 ASP CB . 51798 2 109 . 1 . 1 53 53 ASP N N 15 120.662 0.01 . . . . . . . 39 ASP N . 51798 2 110 . 1 . 1 54 54 ILE H H 1 7.843 0.00 . . . . . . . 40 ILE H . 51798 2 111 . 1 . 1 54 54 ILE CA C 13 61.837 0.04 . . . . . . . 40 ILE CA . 51798 2 112 . 1 . 1 54 54 ILE CB C 13 38.602 0.05 . . . . . . . 40 ILE CB . 51798 2 113 . 1 . 1 54 54 ILE N N 15 119.606 0.02 . . . . . . . 40 ILE N . 51798 2 114 . 1 . 1 55 55 TYR H H 1 8.187 0.00 . . . . . . . 41 TYR H . 51798 2 115 . 1 . 1 55 55 TYR CA C 13 58.167 0.04 . . . . . . . 41 TYR CA . 51798 2 116 . 1 . 1 55 55 TYR CB C 13 38.669 0.02 . . . . . . . 41 TYR CB . 51798 2 117 . 1 . 1 55 55 TYR N N 15 123.487 0.03 . . . . . . . 41 TYR N . 51798 2 118 . 1 . 1 56 56 GLU H H 1 8.267 0.00 . . . . . . . 42 GLU H . 51798 2 119 . 1 . 1 56 56 GLU CA C 13 56.887 0.02 . . . . . . . 42 GLU CA . 51798 2 120 . 1 . 1 56 56 GLU CB C 13 30.348 0.02 . . . . . . . 42 GLU CB . 51798 2 121 . 1 . 1 56 56 GLU N N 15 122.116 0.00 . . . . . . . 42 GLU N . 51798 2 122 . 1 . 1 57 57 ASN H H 1 8.379 0.00 . . . . . . . 43 ASN H . 51798 2 123 . 1 . 1 57 57 ASN CA C 13 53.653 0.03 . . . . . . . 43 ASN CA . 51798 2 124 . 1 . 1 57 57 ASN CB C 13 38.905 0.02 . . . . . . . 43 ASN CB . 51798 2 125 . 1 . 1 57 57 ASN N N 15 119.329 0.01 . . . . . . . 43 ASN N . 51798 2 126 . 1 . 1 58 58 GLN H H 1 8.356 0.00 . . . . . . . 44 GLN H . 51798 2 127 . 1 . 1 58 58 GLN CA C 13 56.543 0.00 . . . . . . . 44 GLN CA . 51798 2 128 . 1 . 1 58 58 GLN N N 15 120.796 0.04 . . . . . . . 44 GLN N . 51798 2 129 . 1 . 1 59 59 GLN CA C 13 56.133 0.06 . . . . . . . 45 GLN CA . 51798 2 130 . 1 . 1 59 59 GLN CB C 13 29.840 0.03 . . . . . . . 45 GLN CB . 51798 2 131 . 1 . 1 60 60 MET H H 1 8.523 0.00 . . . . . . . 46 MET H . 51798 2 132 . 1 . 1 60 60 MET CA C 13 56.770 0.31 . . . . . . . 46 MET CA . 51798 2 133 . 1 . 1 60 60 MET CB C 13 30.249 0.00 . . . . . . . 46 MET CB . 51798 2 134 . 1 . 1 60 60 MET N N 15 122.672 0.05 . . . . . . . 46 MET N . 51798 2 135 . 1 . 1 61 61 ASN H H 1 8.360 0.00 . . . . . . . 47 ASN H . 51798 2 136 . 1 . 1 61 61 ASN CA C 13 54.584 0.04 . . . . . . . 47 ASN CA . 51798 2 137 . 1 . 1 61 61 ASN CB C 13 41.289 0.06 . . . . . . . 47 ASN CB . 51798 2 138 . 1 . 1 61 61 ASN N N 15 121.103 0.03 . . . . . . . 47 ASN N . 51798 2 139 . 1 . 1 62 62 ASP H H 1 8.537 0.00 . . . . . . . 48 ASP H . 51798 2 140 . 1 . 1 62 62 ASP CA C 13 54.589 0.04 . . . . . . . 48 ASP CA . 51798 2 141 . 1 . 1 62 62 ASP CB C 13 41.254 0.01 . . . . . . . 48 ASP CB . 51798 2 142 . 1 . 1 62 62 ASP N N 15 122.259 0.11 . . . . . . . 48 ASP N . 51798 2 143 . 1 . 1 63 63 GLU H H 1 8.535 0.00 . . . . . . . 49 GLU H . 51798 2 144 . 1 . 1 63 63 GLU CA C 13 57.260 0.08 . . . . . . . 49 GLU CA . 51798 2 145 . 1 . 1 63 63 GLU CB C 13 29.923 0.04 . . . . . . . 49 GLU CB . 51798 2 146 . 1 . 1 63 63 GLU N N 15 122.123 0.08 . . . . . . . 49 GLU N . 51798 2 147 . 1 . 1 64 64 SER H H 1 8.397 0.00 . . . . . . . 50 SER H . 51798 2 148 . 1 . 1 64 64 SER CA C 13 59.469 0.00 . . . . . . . 50 SER CA . 51798 2 149 . 1 . 1 64 64 SER CB C 13 63.767 0.00 . . . . . . . 50 SER CB . 51798 2 150 . 1 . 1 64 64 SER N N 15 116.507 0.07 . . . . . . . 50 SER N . 51798 2 151 . 1 . 1 67 67 ASN CA C 13 54.682 0.00 . . . . . . . 53 ASN CA . 51798 2 152 . 1 . 1 67 67 ASN CB C 13 41.275 0.00 . . . . . . . 53 ASN CB . 51798 2 153 . 1 . 1 68 68 GLN H H 1 8.146 0.00 . . . . . . . 54 GLN H . 51798 2 154 . 1 . 1 68 68 GLN CA C 13 56.453 0.00 . . . . . . . 54 GLN CA . 51798 2 155 . 1 . 1 68 68 GLN CB C 13 32.753 0.00 . . . . . . . 54 GLN CB . 51798 2 156 . 1 . 1 68 68 GLN N N 15 121.197 0.00 . . . . . . . 54 GLN N . 51798 2 157 . 1 . 1 70 70 VAL CA C 13 62.704 0.06 . . . . . . . 56 VAL CA . 51798 2 158 . 1 . 1 70 70 VAL CB C 13 32.668 0.16 . . . . . . . 56 VAL CB . 51798 2 159 . 1 . 1 71 71 LYS H H 1 8.350 0.00 . . . . . . . 57 LYS H . 51798 2 160 . 1 . 1 71 71 LYS CA C 13 57.118 0.07 . . . . . . . 57 LYS CA . 51798 2 161 . 1 . 1 71 71 LYS CB C 13 32.882 0.05 . . . . . . . 57 LYS CB . 51798 2 162 . 1 . 1 71 71 LYS N N 15 124.982 0.06 . . . . . . . 57 LYS N . 51798 2 163 . 1 . 1 72 72 ILE H H 1 8.203 0.00 . . . . . . . 58 ILE H . 51798 2 164 . 1 . 1 72 72 ILE CA C 13 62.623 0.05 . . . . . . . 58 ILE CA . 51798 2 165 . 1 . 1 72 72 ILE CB C 13 38.368 0.22 . . . . . . . 58 ILE CB . 51798 2 166 . 1 . 1 72 72 ILE N N 15 120.698 0.13 . . . . . . . 58 ILE N . 51798 2 167 . 1 . 1 73 73 SER H H 1 8.147 0.00 . . . . . . . 59 SER H . 51798 2 168 . 1 . 1 73 73 SER N N 15 116.860 0.08 . . . . . . . 59 SER N . 51798 2 169 . 1 . 1 83 83 ILE CA C 13 60.045 0.00 . . . . . . . 69 ILE CA . 51798 2 170 . 1 . 1 83 83 ILE CB C 13 38.593 0.00 . . . . . . . 69 ILE CB . 51798 2 171 . 1 . 1 84 84 GLU H H 1 8.141 0.00 . . . . . . . 70 GLU H . 51798 2 172 . 1 . 1 84 84 GLU CA C 13 57.526 0.00 . . . . . . . 70 GLU CA . 51798 2 173 . 1 . 1 84 84 GLU CB C 13 28.907 0.00 . . . . . . . 70 GLU CB . 51798 2 174 . 1 . 1 84 84 GLU N N 15 120.070 0.00 . . . . . . . 70 GLU N . 51798 2 175 . 1 . 1 91 91 GLN H H 1 8.336 0.00 . . . . . . . 77 GLN H . 51798 2 176 . 1 . 1 91 91 GLN CA C 13 56.673 0.07 . . . . . . . 77 GLN CA . 51798 2 177 . 1 . 1 91 91 GLN CB C 13 30.234 0.01 . . . . . . . 77 GLN CB . 51798 2 178 . 1 . 1 91 91 GLN N N 15 121.377 0.00 . . . . . . . 77 GLN N . 51798 2 179 . 1 . 1 92 92 ASP H H 1 8.164 0.00 . . . . . . . 78 ASP H . 51798 2 180 . 1 . 1 92 92 ASP CA C 13 55.358 0.03 . . . . . . . 78 ASP CA . 51798 2 181 . 1 . 1 92 92 ASP CB C 13 42.680 0.00 . . . . . . . 78 ASP CB . 51798 2 182 . 1 . 1 92 92 ASP N N 15 123.098 0.01 . . . . . . . 78 ASP N . 51798 2 183 . 1 . 1 93 93 LYS H H 1 8.370 0.00 . . . . . . . 79 LYS H . 51798 2 184 . 1 . 1 93 93 LYS CA C 13 56.809 0.00 . . . . . . . 79 LYS CA . 51798 2 185 . 1 . 1 93 93 LYS CB C 13 30.364 0.00 . . . . . . . 79 LYS CB . 51798 2 186 . 1 . 1 93 93 LYS N N 15 121.734 0.00 . . . . . . . 79 LYS N . 51798 2 187 . 1 . 1 94 94 PHE H H 1 8.482 0.00 . . . . . . . 80 PHE H . 51798 2 188 . 1 . 1 94 94 PHE CA C 13 53.317 0.07 . . . . . . . 80 PHE CA . 51798 2 189 . 1 . 1 94 94 PHE CB C 13 39.170 0.05 . . . . . . . 80 PHE CB . 51798 2 190 . 1 . 1 94 94 PHE N N 15 119.960 0.00 . . . . . . . 80 PHE N . 51798 2 191 . 1 . 1 95 95 LYS H H 1 8.382 0.00 . . . . . . . 81 LYS H . 51798 2 192 . 1 . 1 95 95 LYS CA C 13 56.192 0.00 . . . . . . . 81 LYS CA . 51798 2 193 . 1 . 1 95 95 LYS CB C 13 30.187 0.00 . . . . . . . 81 LYS CB . 51798 2 194 . 1 . 1 95 95 LYS N N 15 121.176 0.07 . . . . . . . 81 LYS N . 51798 2 195 . 1 . 1 101 101 MET CA C 13 57.560 0.01 . . . . . . . 87 MET CA . 51798 2 196 . 1 . 1 101 101 MET CB C 13 31.790 0.05 . . . . . . . 87 MET CB . 51798 2 197 . 1 . 1 102 102 ALA H H 1 7.888 0.00 . . . . . . . 88 ALA H . 51798 2 198 . 1 . 1 102 102 ALA CA C 13 54.489 0.01 . . . . . . . 88 ALA CA . 51798 2 199 . 1 . 1 102 102 ALA CB C 13 18.159 0.09 . . . . . . . 88 ALA CB . 51798 2 200 . 1 . 1 102 102 ALA N N 15 120.793 0.03 . . . . . . . 88 ALA N . 51798 2 201 . 1 . 1 103 103 HIS H H 1 7.811 0.00 . . . . . . . 89 HIS H . 51798 2 202 . 1 . 1 103 103 HIS CA C 13 57.224 0.08 . . . . . . . 89 HIS CA . 51798 2 203 . 1 . 1 103 103 HIS CB C 13 28.832 0.01 . . . . . . . 89 HIS CB . 51798 2 204 . 1 . 1 103 103 HIS N N 15 114.372 0.06 . . . . . . . 89 HIS N . 51798 2 205 . 1 . 1 104 104 ILE H H 1 7.995 0.00 . . . . . . . 90 ILE H . 51798 2 206 . 1 . 1 104 104 ILE CA C 13 64.127 0.02 . . . . . . . 90 ILE CA . 51798 2 207 . 1 . 1 104 104 ILE CB C 13 37.921 0.02 . . . . . . . 90 ILE CB . 51798 2 208 . 1 . 1 104 104 ILE N N 15 119.662 0.02 . . . . . . . 90 ILE N . 51798 2 209 . 1 . 1 105 105 THR H H 1 7.949 0.00 . . . . . . . 91 THR H . 51798 2 210 . 1 . 1 105 105 THR CA C 13 64.126 0.02 . . . . . . . 91 THR CA . 51798 2 211 . 1 . 1 105 105 THR CB C 13 69.107 0.08 . . . . . . . 91 THR CB . 51798 2 212 . 1 . 1 105 105 THR N N 15 110.529 0.16 . . . . . . . 91 THR N . 51798 2 213 . 1 . 1 106 106 GLU H H 1 7.702 0.00 . . . . . . . 92 GLU H . 51798 2 214 . 1 . 1 106 106 GLU CA C 13 56.766 0.01 . . . . . . . 92 GLU CA . 51798 2 215 . 1 . 1 106 106 GLU CB C 13 29.880 0.04 . . . . . . . 92 GLU CB . 51798 2 216 . 1 . 1 106 106 GLU N N 15 119.828 0.04 . . . . . . . 92 GLU N . 51798 2 217 . 1 . 1 107 107 LEU H H 1 7.593 0.00 . . . . . . . 93 LEU H . 51798 2 218 . 1 . 1 107 107 LEU CA C 13 55.773 0.10 . . . . . . . 93 LEU CA . 51798 2 219 . 1 . 1 107 107 LEU CB C 13 41.974 0.03 . . . . . . . 93 LEU CB . 51798 2 220 . 1 . 1 107 107 LEU N N 15 120.415 0.03 . . . . . . . 93 LEU N . 51798 2 221 . 1 . 1 108 108 ASN H H 1 8.163 0.00 . . . . . . . 94 ASN H . 51798 2 222 . 1 . 1 108 108 ASN CA C 13 53.191 0.00 . . . . . . . 94 ASN CA . 51798 2 223 . 1 . 1 108 108 ASN CB C 13 38.742 0.00 . . . . . . . 94 ASN CB . 51798 2 224 . 1 . 1 108 108 ASN N N 15 118.060 0.11 . . . . . . . 94 ASN N . 51798 2 225 . 1 . 1 109 109 PHE CA C 13 59.549 0.05 . . . . . . . 95 PHE CA . 51798 2 226 . 1 . 1 109 109 PHE CB C 13 39.201 0.00 . . . . . . . 95 PHE CB . 51798 2 227 . 1 . 1 110 110 LYS H H 1 8.225 0.01 . . . . . . . 96 LYS H . 51798 2 228 . 1 . 1 110 110 LYS CA C 13 58.212 0.02 . . . . . . . 96 LYS CA . 51798 2 229 . 1 . 1 110 110 LYS CB C 13 32.562 0.17 . . . . . . . 96 LYS CB . 51798 2 230 . 1 . 1 110 110 LYS N N 15 120.017 0.08 . . . . . . . 96 LYS N . 51798 2 231 . 1 . 1 111 111 ARG H H 1 7.817 0.00 . . . . . . . 97 ARG H . 51798 2 232 . 1 . 1 111 111 ARG CA C 13 57.038 0.09 . . . . . . . 97 ARG CA . 51798 2 233 . 1 . 1 111 111 ARG CB C 13 30.341 0.03 . . . . . . . 97 ARG CB . 51798 2 234 . 1 . 1 111 111 ARG N N 15 118.890 0.07 . . . . . . . 97 ARG N . 51798 2 235 . 1 . 1 112 112 ASN H H 1 8.086 0.00 . . . . . . . 98 ASN H . 51798 2 236 . 1 . 1 112 112 ASN CA C 13 54.377 0.01 . . . . . . . 98 ASN CA . 51798 2 237 . 1 . 1 112 112 ASN CB C 13 39.047 0.01 . . . . . . . 98 ASN CB . 51798 2 238 . 1 . 1 112 112 ASN N N 15 117.230 0.06 . . . . . . . 98 ASN N . 51798 2 239 . 1 . 1 113 113 TYR H H 1 8.163 0.00 . . . . . . . 99 TYR H . 51798 2 240 . 1 . 1 113 113 TYR CA C 13 59.974 0.02 . . . . . . . 99 TYR CA . 51798 2 241 . 1 . 1 113 113 TYR CB C 13 38.558 0.13 . . . . . . . 99 TYR CB . 51798 2 242 . 1 . 1 113 113 TYR N N 15 120.547 0.06 . . . . . . . 99 TYR N . 51798 2 243 . 1 . 1 114 114 GLN H H 1 8.158 0.00 . . . . . . . 100 GLN H . 51798 2 244 . 1 . 1 114 114 GLN CA C 13 57.482 0.08 . . . . . . . 100 GLN CA . 51798 2 245 . 1 . 1 114 114 GLN CB C 13 28.763 0.06 . . . . . . . 100 GLN CB . 51798 2 246 . 1 . 1 114 114 GLN N N 15 119.765 0.04 . . . . . . . 100 GLN N . 51798 2 247 . 1 . 1 115 115 ASN H H 1 8.201 0.00 . . . . . . . 101 ASN H . 51798 2 248 . 1 . 1 115 115 ASN CA C 13 54.380 0.06 . . . . . . . 101 ASN CA . 51798 2 249 . 1 . 1 115 115 ASN CB C 13 38.519 0.03 . . . . . . . 101 ASN CB . 51798 2 250 . 1 . 1 115 115 ASN N N 15 117.767 0.06 . . . . . . . 101 ASN N . 51798 2 251 . 1 . 1 116 116 LEU H H 1 8.060 0.00 . . . . . . . 102 LEU H . 51798 2 252 . 1 . 1 116 116 LEU CA C 13 56.567 0.05 . . . . . . . 102 LEU CA . 51798 2 253 . 1 . 1 116 116 LEU CB C 13 42.398 0.04 . . . . . . . 102 LEU CB . 51798 2 254 . 1 . 1 116 116 LEU N N 15 120.953 0.04 . . . . . . . 102 LEU N . 51798 2 255 . 1 . 1 117 117 THR H H 1 7.875 0.01 . . . . . . . 103 THR H . 51798 2 256 . 1 . 1 117 117 THR CA C 13 62.395 0.06 . . . . . . . 103 THR CA . 51798 2 257 . 1 . 1 117 117 THR CB C 13 69.894 0.03 . . . . . . . 103 THR CB . 51798 2 258 . 1 . 1 117 117 THR N N 15 110.822 0.08 . . . . . . . 103 THR N . 51798 2 259 . 1 . 1 118 118 GLU H H 1 8.123 0.00 . . . . . . . 104 GLU H . 51798 2 260 . 1 . 1 118 118 GLU CA C 13 56.968 0.00 . . . . . . . 104 GLU CA . 51798 2 261 . 1 . 1 118 118 GLU CB C 13 29.676 0.00 . . . . . . . 104 GLU CB . 51798 2 262 . 1 . 1 118 118 GLU N N 15 122.671 0.07 . . . . . . . 104 GLU N . 51798 2 263 . 1 . 1 119 119 GLN CA C 13 56.312 0.11 . . . . . . . 105 GLN CA . 51798 2 264 . 1 . 1 119 119 GLN CB C 13 29.313 0.00 . . . . . . . 105 GLN CB . 51798 2 265 . 1 . 1 120 120 SER H H 1 8.351 0.00 . . . . . . . 106 SER H . 51798 2 266 . 1 . 1 120 120 SER CA C 13 58.539 0.09 . . . . . . . 106 SER CA . 51798 2 267 . 1 . 1 120 120 SER CB C 13 64.057 0.04 . . . . . . . 106 SER CB . 51798 2 268 . 1 . 1 120 120 SER N N 15 116.605 0.12 . . . . . . . 106 SER N . 51798 2 269 . 1 . 1 121 121 SER H H 1 8.361 0.00 . . . . . . . 107 SER H . 51798 2 270 . 1 . 1 121 121 SER CA C 13 58.476 0.00 . . . . . . . 107 SER CA . 51798 2 271 . 1 . 1 121 121 SER CB C 13 64.091 0.02 . . . . . . . 107 SER CB . 51798 2 272 . 1 . 1 121 121 SER N N 15 117.839 0.05 . . . . . . . 107 SER N . 51798 2 273 . 1 . 1 122 122 SER H H 1 8.360 0.00 . . . . . . . 108 SER H . 51798 2 274 . 1 . 1 122 122 SER CA C 13 58.445 0.03 . . . . . . . 108 SER CA . 51798 2 275 . 1 . 1 122 122 SER CB C 13 64.112 0.01 . . . . . . . 108 SER CB . 51798 2 276 . 1 . 1 122 122 SER N N 15 117.865 0.04 . . . . . . . 108 SER N . 51798 2 277 . 1 . 1 123 123 ASN H H 1 8.084 0.00 . . . . . . . 109 ASN H . 51798 2 278 . 1 . 1 123 123 ASN CA C 13 55.002 0.00 . . . . . . . 109 ASN CA . 51798 2 279 . 1 . 1 123 123 ASN CB C 13 40.415 0.00 . . . . . . . 109 ASN CB . 51798 2 280 . 1 . 1 123 123 ASN N N 15 126.027 0.05 . . . . . . . 109 ASN N . 51798 2 stop_ save_