################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25296 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Assigned 1H-15N chemical shifts for Hha C18I mutant based on BMRB entry 5166' _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 3 '2D 1H-15N HSQC' . . . 25296 1 4 '3D 1H-15N NOESY' . . . 25296 1 5 '3D 1H-15N TOCSY' . . . 25296 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLU H H 1 8.417 0.020 . 1 . . . . . 3 GLU H . 25296 1 2 . 1 1 1 1 GLU N N 15 122.711 0.3 . 1 . . . . . 3 GLU N . 25296 1 3 . 1 1 2 2 LYS H H 1 8.099 0.020 . 1 . . . . . 4 LYS H . 25296 1 4 . 1 1 2 2 LYS N N 15 122.518 0.3 . 1 . . . . . 4 LYS N . 25296 1 5 . 1 1 3 3 LEU H H 1 8.511 0.020 . 1 . . . . A 6 LEU H . 25296 1 6 . 1 1 3 3 LEU N N 15 123.422 0.3 . 1 . . . . A 6 LEU N . 25296 1 7 . 1 1 4 4 THR H H 1 9.008 0.020 . 1 . . . . A 7 THR H . 25296 1 8 . 1 1 4 4 THR N N 15 112.417 0.3 . 1 . . . . A 7 THR N . 25296 1 9 . 1 1 5 5 LYS H H 1 9.084 0.020 . 1 . . . . A 8 LYS H . 25296 1 10 . 1 1 5 5 LYS N N 15 121.105 0.3 . 1 . . . . A 8 LYS N . 25296 1 11 . 1 1 6 6 THR H H 1 7.971 0.020 . 1 . . . . A 9 THR H . 25296 1 12 . 1 1 6 6 THR N N 15 113.324 0.3 . 1 . . . . A 9 THR N . 25296 1 13 . 1 1 7 7 ASP H H 1 7.522 0.020 . 1 . . . . A 10 ASP H . 25296 1 14 . 1 1 7 7 ASP N N 15 121.834 0.3 . 1 . . . . A 10 ASP N . 25296 1 15 . 1 1 8 8 TYR H H 1 7.864 0.020 . 1 . . . . A 11 TYR H . 25296 1 16 . 1 1 8 8 TYR N N 15 116.789 0.3 . 1 . . . . A 11 TYR N . 25296 1 17 . 1 1 9 9 LEU H H 1 9.006 0.020 . 1 . . . . A 12 LEU H . 25296 1 18 . 1 1 9 9 LEU N N 15 121.549 0.3 . 1 . . . . A 12 LEU N . 25296 1 19 . 1 1 10 10 MET H H 1 8.294 0.020 . 1 . . . . A 13 MET H . 25296 1 20 . 1 1 10 10 MET N N 15 116.111 0.3 . 1 . . . . A 13 MET N . 25296 1 21 . 1 1 11 11 ARG H H 1 7.175 0.020 . 1 . . . . A 14 ARG H . 25296 1 22 . 1 1 11 11 ARG N N 15 117.417 0.3 . 1 . . . . A 14 ARG N . 25296 1 23 . 1 1 12 12 LEU H H 1 8.505 0.020 . 1 . . . . A 15 LEU H . 25296 1 24 . 1 1 12 12 LEU N N 15 119.519 0.3 . 1 . . . . A 15 LEU N . 25296 1 25 . 1 1 13 13 ARG H H 1 8.412 0.020 . 1 . . . . A 16 ARG H . 25296 1 26 . 1 1 13 13 ARG N N 15 121.725 0.3 . 1 . . . . A 16 ARG N . 25296 1 27 . 1 1 14 14 ARG H H 1 7.273 0.020 . 1 . . . . A 17 ARG H . 25296 1 28 . 1 1 14 14 ARG N N 15 115.267 0.3 . 1 . . . . A 17 ARG N . 25296 1 29 . 1 1 15 15 CYS H H 1 7.681 0.020 . 1 . . . . A 18 CYS H . 25296 1 30 . 1 1 15 15 CYS N N 15 120.960 0.3 . 1 . . . . A 18 CYS N . 25296 1 31 . 1 1 17 17 THR H H 1 7.165 0.020 . 1 . . . . A 20 THR H . 25296 1 32 . 1 1 17 17 THR N N 15 106.710 0.3 . 1 . . . . A 20 THR N . 25296 1 33 . 1 1 18 18 ILE H H 1 9.111 0.020 . 1 . . . . A 21 ILE H . 25296 1 34 . 1 1 18 18 ILE N N 15 124.640 0.3 . 1 . . . . A 21 ILE N . 25296 1 35 . 1 1 19 19 ASP H H 1 8.587 0.020 . 1 . . . . A 22 ASP H . 25296 1 36 . 1 1 19 19 ASP N N 15 118.648 0.3 . 1 . . . . A 22 ASP N . 25296 1 37 . 1 1 20 20 THR H H 1 7.610 0.020 . 1 . . . . A 23 THR H . 25296 1 38 . 1 1 20 20 THR N N 15 115.236 0.3 . 1 . . . . A 23 THR N . 25296 1 39 . 1 1 21 21 LEU H H 1 7.923 0.020 . 1 . . . . A 24 LEU H . 25296 1 40 . 1 1 21 21 LEU N N 15 124.130 0.3 . 1 . . . . A 24 LEU N . 25296 1 41 . 1 1 22 22 GLU H H 1 8.807 0.020 . 1 . . . . A 25 GLU H . 25296 1 42 . 1 1 22 22 GLU N N 15 117.370 0.3 . 1 . . . . A 25 GLU N . 25296 1 43 . 1 1 23 23 ARG H H 1 7.543 0.020 . 1 . . . . A 26 ARG H . 25296 1 44 . 1 1 23 23 ARG N N 15 119.314 0.3 . 1 . . . . A 26 ARG N . 25296 1 45 . 1 1 24 24 VAL H H 1 8.293 0.020 . 1 . . . . A 27 VAL H . 25296 1 46 . 1 1 24 24 VAL N N 15 122.593 0.3 . 1 . . . . A 27 VAL N . 25296 1 47 . 1 1 25 25 ILE H H 1 8.827 0.020 . 1 . . . . A 28 ILE H . 25296 1 48 . 1 1 25 25 ILE N N 15 123.569 0.3 . 1 . . . . A 28 ILE N . 25296 1 49 . 1 1 26 26 GLU H H 1 7.776 0.020 . 1 . . . . A 29 GLU H . 25296 1 50 . 1 1 26 26 GLU N N 15 118.032 0.3 . 1 . . . . A 29 GLU N . 25296 1 51 . 1 1 27 27 LYS H H 1 7.661 0.020 . 1 . . . . A 30 LYS H . 25296 1 52 . 1 1 27 27 LYS N N 15 116.536 0.3 . 1 . . . . A 30 LYS N . 25296 1 53 . 1 1 28 28 ASN H H 1 7.882 0.020 . 1 . . . . A 31 ASN H . 25296 1 54 . 1 1 28 28 ASN N N 15 117.098 0.3 . 1 . . . . A 31 ASN N . 25296 1 55 . 1 1 29 29 LYS H H 1 8.172 0.020 . 1 . . . . A 32 LYS H . 25296 1 56 . 1 1 29 29 LYS N N 15 119.676 0.3 . 1 . . . . A 32 LYS N . 25296 1 57 . 1 1 30 30 TYR H H 1 7.006 0.020 . 1 . . . . A 33 TYR H . 25296 1 58 . 1 1 30 30 TYR N N 15 114.106 0.3 . 1 . . . . A 33 TYR N . 25296 1 59 . 1 1 31 31 GLU H H 1 7.453 0.020 . 1 . . . . A 34 GLU H . 25296 1 60 . 1 1 31 31 GLU N N 15 117.370 0.3 . 1 . . . . A 34 GLU N . 25296 1 61 . 1 1 32 32 LEU H H 1 7.500 0.020 . 1 . . . . A 35 LEU H . 25296 1 62 . 1 1 32 32 LEU N N 15 118.834 0.3 . 1 . . . . A 35 LEU N . 25296 1 63 . 1 1 33 33 SER H H 1 8.623 0.020 . 1 . . . . A 36 SER H . 25296 1 64 . 1 1 33 33 SER N N 15 116.159 0.3 . 1 . . . . A 36 SER N . 25296 1 65 . 1 1 34 34 ASP H H 1 8.838 0.020 . 1 . . . . A 37 ASP H . 25296 1 66 . 1 1 34 34 ASP N N 15 120.825 0.3 . 1 . . . . A 37 ASP N . 25296 1 67 . 1 1 35 35 ASN H H 1 8.669 0.020 . 1 . . . . A 38 ASN H . 25296 1 68 . 1 1 35 35 ASN HD21 H 1 7.689 0.020 . 1 . . . . A 38 ASN HD21 . 25296 1 69 . 1 1 35 35 ASN HD22 H 1 7.004 0.020 . 1 . . . . A 38 ASN HD22 . 25296 1 70 . 1 1 35 35 ASN N N 15 117.661 0.3 . 1 . . . . A 38 ASN N . 25296 1 71 . 1 1 35 35 ASN ND2 N 15 113.378 0.3 . 1 . . . . A 38 ASN ND2 . 25296 1 72 . 1 1 36 36 GLU H H 1 7.603 0.020 . 1 . . . . A 39 GLU H . 25296 1 73 . 1 1 36 36 GLU N N 15 120.404 0.3 . 1 . . . . A 39 GLU N . 25296 1 74 . 1 1 37 37 LEU H H 1 8.584 0.020 . 1 . . . . A 40 LEU H . 25296 1 75 . 1 1 37 37 LEU N N 15 120.350 0.3 . 1 . . . . A 40 LEU N . 25296 1 76 . 1 1 38 38 ALA H H 1 7.491 0.020 . 1 . . . . A 41 ALA H . 25296 1 77 . 1 1 38 38 ALA N N 15 118.587 0.3 . 1 . . . . A 41 ALA N . 25296 1 78 . 1 1 39 39 VAL H H 1 7.269 0.020 . 1 . . . . A 42 VAL H . 25296 1 79 . 1 1 39 39 VAL N N 15 118.763 0.3 . 1 . . . . A 42 VAL N . 25296 1 80 . 1 1 40 40 PHE H H 1 8.478 0.020 . 1 . . . . A 43 PHE H . 25296 1 81 . 1 1 40 40 PHE N N 15 123.354 0.3 . 1 . . . . A 43 PHE N . 25296 1 82 . 1 1 41 41 TYR H H 1 9.357 0.020 . 1 . . . . A 44 TYR H . 25296 1 83 . 1 1 41 41 TYR N N 15 118.850 0.3 . 1 . . . . A 44 TYR N . 25296 1 84 . 1 1 42 42 SER H H 1 7.507 0.020 . 1 . . . . A 45 SER H . 25296 1 85 . 1 1 42 42 SER N N 15 114.529 0.3 . 1 . . . . A 45 SER N . 25296 1 86 . 1 1 43 43 ALA H H 1 7.514 0.020 . 1 . . . . A 46 ALA H . 25296 1 87 . 1 1 43 43 ALA N N 15 125.846 0.3 . 1 . . . . A 46 ALA N . 25296 1 88 . 1 1 44 44 ALA H H 1 8.787 0.020 . 1 . . . . A 47 ALA H . 25296 1 89 . 1 1 44 44 ALA N N 15 123.097 0.3 . 1 . . . . A 47 ALA N . 25296 1 90 . 1 1 45 45 ASP H H 1 8.688 0.020 . 1 . . . . A 48 ASP H . 25296 1 91 . 1 1 45 45 ASP N N 15 119.891 0.3 . 1 . . . . A 48 ASP N . 25296 1 92 . 1 1 46 46 HIS H H 1 7.219 0.020 . 1 . . . . A 49 HIS H . 25296 1 93 . 1 1 46 46 HIS N N 15 119.869 0.3 . 1 . . . . A 49 HIS N . 25296 1 94 . 1 1 47 47 ARG H H 1 8.800 0.020 . 1 . . . . A 50 ARG H . 25296 1 95 . 1 1 47 47 ARG N N 15 118.614 0.3 . 1 . . . . A 50 ARG N . 25296 1 96 . 1 1 48 48 LEU H H 1 8.875 0.020 . 1 . . . . A 51 LEU H . 25296 1 97 . 1 1 48 48 LEU N N 15 121.642 0.3 . 1 . . . . A 51 LEU N . 25296 1 98 . 1 1 49 49 ALA H H 1 8.041 0.020 . 1 . . . . A 52 ALA H . 25296 1 99 . 1 1 49 49 ALA N N 15 124.864 0.3 . 1 . . . . A 52 ALA N . 25296 1 100 . 1 1 50 50 GLU H H 1 7.965 0.020 . 1 . . . . A 53 GLU H . 25296 1 101 . 1 1 50 50 GLU N N 15 117.347 0.3 . 1 . . . . A 53 GLU N . 25296 1 102 . 1 1 51 51 LEU H H 1 8.739 0.020 . 1 . . . . A 54 LEU H . 25296 1 103 . 1 1 51 51 LEU N N 15 118.288 0.3 . 1 . . . . A 54 LEU N . 25296 1 104 . 1 1 52 52 THR H H 1 8.268 0.020 . 1 . . . . A 55 THR H . 25296 1 105 . 1 1 52 52 THR N N 15 116.900 0.3 . 1 . . . . A 55 THR N . 25296 1 106 . 1 1 53 53 MET H H 1 7.839 0.020 . 1 . . . . A 56 MET H . 25296 1 107 . 1 1 53 53 MET N N 15 116.084 0.3 . 1 . . . . A 56 MET N . 25296 1 108 . 1 1 54 54 ASN H H 1 8.099 0.020 . 1 . . . . A 57 ASN H . 25296 1 109 . 1 1 54 54 ASN N N 15 118.384 0.3 . 1 . . . . A 57 ASN N . 25296 1 110 . 1 1 55 55 LYS H H 1 7.962 0.020 . 1 . . . . A 58 LYS H . 25296 1 111 . 1 1 55 55 LYS N N 15 117.541 0.3 . 1 . . . . A 58 LYS N . 25296 1 112 . 1 1 56 56 LEU H H 1 7.552 0.020 . 1 . . . . A 59 LEU H . 25296 1 113 . 1 1 56 56 LEU N N 15 117.548 0.3 . 1 . . . . A 59 LEU N . 25296 1 114 . 1 1 57 57 TYR H H 1 9.840 0.020 . 1 . . . . A 60 TYR H . 25296 1 115 . 1 1 57 57 TYR N N 15 120.559 0.3 . 1 . . . . A 60 TYR N . 25296 1 116 . 1 1 59 59 LYS H H 1 7.683 0.020 . 1 . . . . A 62 LYS H . 25296 1 117 . 1 1 59 59 LYS N N 15 118.741 0.3 . 1 . . . . A 62 LYS N . 25296 1 118 . 1 1 60 60 ILE H H 1 8.832 0.020 . 1 . . . . A 63 ILE H . 25296 1 119 . 1 1 60 60 ILE N N 15 127.142 0.3 . 1 . . . . A 63 ILE N . 25296 1 120 . 1 1 64 64 VAL H H 1 7.215 0.020 . 1 . . . . A 67 VAL H . 25296 1 121 . 1 1 64 64 VAL N N 15 123.569 0.3 . 1 . . . . A 67 VAL N . 25296 1 122 . 1 1 65 65 TRP H H 1 7.166 0.020 . 1 . . . . A 68 TRP H . 25296 1 123 . 1 1 65 65 TRP HE1 H 1 9.959 0.020 . 1 . . . . A 68 TRP HE1 . 25296 1 124 . 1 1 65 65 TRP N N 15 118.947 0.3 . 1 . . . . A 68 TRP N . 25296 1 125 . 1 1 65 65 TRP NE1 N 15 128.802 0.3 . 1 . . . . A 68 TRP NE1 . 25296 1 126 . 1 1 66 66 LYS H H 1 7.848 0.020 . 1 . . . . A 69 LYS H . 25296 1 127 . 1 1 66 66 LYS N N 15 117.130 0.3 . 1 . . . . A 69 LYS N . 25296 1 128 . 1 1 67 67 PHE H H 1 7.541 0.020 . 1 . . . . A 70 PHE H . 25296 1 129 . 1 1 67 67 PHE N N 15 118.929 0.3 . 1 . . . . A 70 PHE N . 25296 1 130 . 1 1 68 68 ILE H H 1 8.030 0.020 . 1 . . . . A 71 ILE H . 25296 1 131 . 1 1 68 68 ILE N N 15 117.502 0.3 . 1 . . . . A 71 ILE N . 25296 1 132 . 1 1 69 69 ARG H H 1 8.306 0.020 . 1 . . . . A 72 ARG H . 25296 1 133 . 1 1 69 69 ARG N N 15 118.864 0.3 . 1 . . . . A 72 ARG N . 25296 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 25296 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '2D 1H-15N HSQC' . . . 25296 2 7 '3D 1H-15N NOESY' . . . 25296 2 8 '3D 1H-15N TOCSY' . . . 25296 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 SER H H 1 8.203 0.020 . 6 . . . . . 2 SER H . 25296 2 2 . 2 2 1 1 SER N N 15 115.664 0.3 . 6 . . . . . 2 SER N . 25296 2 3 . 2 2 2 2 GLU H H 1 8.448 0.020 . 6 . . . . B 3 GLU H . 25296 2 4 . 2 2 2 2 GLU N N 15 123.077 0.3 . 6 . . . . B 3 GLU N . 25296 2 5 . 2 2 3 3 ALA H H 1 8.105 0.020 . 6 . . . . B 4 ALA H . 25296 2 6 . 2 2 3 3 ALA N N 15 121.468 0.3 . 6 . . . . B 4 ALA N . 25296 2 7 . 2 2 4 4 LEU H H 1 7.707 0.020 . 6 . . . . B 5 LEU H . 25296 2 8 . 2 2 4 4 LEU N N 15 114.627 0.3 . 6 . . . . B 5 LEU N . 25296 2 9 . 2 2 5 5 LYS H H 1 7.500 0.020 . 6 . . . . B 6 LYS H . 25296 2 10 . 2 2 5 5 LYS N N 15 116.789 0.3 . 6 . . . . B 6 LYS N . 25296 2 11 . 2 2 6 6 ILE H H 1 7.572 0.020 . 6 . . . . B 7 ILE H . 25296 2 12 . 2 2 6 6 ILE N N 15 118.048 0.3 . 6 . . . . B 7 ILE N . 25296 2 13 . 2 2 7 7 LEU H H 1 7.429 0.020 . 6 . . . . B 8 LEU H . 25296 2 14 . 2 2 7 7 LEU N N 15 115.840 0.3 . 6 . . . . B 8 LEU N . 25296 2 15 . 2 2 8 8 ASN H H 1 7.336 0.020 . 6 . . . . B 9 ASN H . 25296 2 16 . 2 2 8 8 ASN HD21 H 1 7.342 0.020 . 6 . . . . B 9 ASN HD21 . 25296 2 17 . 2 2 8 8 ASN HD22 H 1 7.100 0.020 . 6 . . . . B 9 ASN HD22 . 25296 2 18 . 2 2 8 8 ASN N N 15 112.820 0.3 . 6 . . . . B 9 ASN N . 25296 2 19 . 2 2 8 8 ASN ND2 N 15 109.822 0.3 . 6 . . . . B 9 ASN ND2 . 25296 2 20 . 2 2 9 9 ASN H H 1 7.674 0.020 . 6 . . . . B 10 ASN H . 25296 2 21 . 2 2 9 9 ASN HD21 H 1 7.641 0.020 . 6 . . . . B 10 ASN HD21 . 25296 2 22 . 2 2 9 9 ASN HD22 H 1 6.867 0.020 . 6 . . . . B 10 ASN HD22 . 25296 2 23 . 2 2 9 9 ASN N N 15 119.315 0.3 . 6 . . . . B 10 ASN N . 25296 2 24 . 2 2 9 9 ASN ND2 N 15 113.372 0.3 . 6 . . . . B 10 ASN ND2 . 25296 2 25 . 2 2 11 11 ARG H H 1 7.874 0.020 . 6 . . . . B 12 ARG H . 25296 2 26 . 2 2 11 11 ARG N N 15 121.285 0.3 . 6 . . . . B 12 ARG N . 25296 2 27 . 2 2 12 12 THR H H 1 7.692 0.020 . 6 . . . . B 13 THR H . 25296 2 28 . 2 2 12 12 THR N N 15 116.891 0.3 . 6 . . . . B 13 THR N . 25296 2 29 . 2 2 13 13 LEU H H 1 8.606 0.020 . 6 . . . . B 14 LEU H . 25296 2 30 . 2 2 13 13 LEU N N 15 123.463 0.3 . 6 . . . . B 14 LEU N . 25296 2 31 . 2 2 14 14 ARG H H 1 8.517 0.020 . 6 . . . . B 15 ARG H . 25296 2 32 . 2 2 14 14 ARG N N 15 117.309 0.3 . 6 . . . . B 15 ARG N . 25296 2 33 . 2 2 15 15 ALA H H 1 7.415 0.020 . 6 . . . . B 16 ALA H . 25296 2 34 . 2 2 15 15 ALA N N 15 119.575 0.3 . 6 . . . . B 16 ALA N . 25296 2 35 . 2 2 16 16 GLN H H 1 8.332 0.020 . 6 . . . . B 17 GLN H . 25296 2 36 . 2 2 16 16 GLN HE21 H 1 7.200 0.020 . 6 . . . . B 17 GLN HE21 . 25296 2 37 . 2 2 16 16 GLN HE22 H 1 6.738 0.020 . 6 . . . . B 17 GLN HE22 . 25296 2 38 . 2 2 16 16 GLN N N 15 116.833 0.3 . 6 . . . . B 17 GLN N . 25296 2 39 . 2 2 16 16 GLN NE2 N 15 111.328 0.3 . 6 . . . . B 17 GLN NE2 . 25296 2 40 . 2 2 17 17 ALA H H 1 8.846 0.020 . 6 . . . . B 18 ALA H . 25296 2 41 . 2 2 17 17 ALA N N 15 122.172 0.3 . 6 . . . . B 18 ALA N . 25296 2 42 . 2 2 18 18 ARG H H 1 7.397 0.020 . 6 . . . . B 19 ARG H . 25296 2 43 . 2 2 18 18 ARG N N 15 117.101 0.3 . 6 . . . . B 19 ARG N . 25296 2 44 . 2 2 19 19 GLU H H 1 7.199 0.020 . 6 . . . . B 20 GLU H . 25296 2 45 . 2 2 19 19 GLU N N 15 114.355 0.3 . 6 . . . . B 20 GLU N . 25296 2 46 . 2 2 20 20 CYS H H 1 7.577 0.020 . 6 . . . . B 21 CYS H . 25296 2 47 . 2 2 20 20 CYS N N 15 115.139 0.3 . 6 . . . . B 21 CYS N . 25296 2 48 . 2 2 21 21 THR H H 1 8.676 0.020 . 6 . . . . B 22 THR H . 25296 2 49 . 2 2 21 21 THR N N 15 113.987 0.3 . 6 . . . . B 22 THR N . 25296 2 50 . 2 2 22 22 LEU H H 1 9.075 0.020 . 6 . . . . B 23 LEU H . 25296 2 51 . 2 2 22 22 LEU N N 15 123.456 0.3 . 6 . . . . B 23 LEU N . 25296 2 52 . 2 2 23 23 GLU H H 1 8.719 0.020 . 6 . . . . B 24 GLU H . 25296 2 53 . 2 2 23 23 GLU N N 15 117.074 0.3 . 6 . . . . B 24 GLU N . 25296 2 54 . 2 2 24 24 THR H H 1 7.636 0.020 . 6 . . . . B 25 THR H . 25296 2 55 . 2 2 24 24 THR N N 15 116.710 0.3 . 6 . . . . B 25 THR N . 25296 2 56 . 2 2 25 25 LEU H H 1 7.794 0.020 . 6 . . . . B 26 LEU H . 25296 2 57 . 2 2 25 25 LEU N N 15 121.586 0.3 . 6 . . . . B 26 LEU N . 25296 2 58 . 2 2 26 26 GLU H H 1 8.762 0.020 . 6 . . . . B 27 GLU H . 25296 2 59 . 2 2 26 26 GLU N N 15 117.312 0.3 . 6 . . . . B 27 GLU N . 25296 2 60 . 2 2 27 27 GLU H H 1 7.786 0.020 . 6 . . . . B 28 GLU H . 25296 2 61 . 2 2 27 27 GLU N N 15 121.001 0.3 . 6 . . . . B 28 GLU N . 25296 2 62 . 2 2 28 28 MET H H 1 8.075 0.020 . 6 . . . . B 29 MET H . 25296 2 63 . 2 2 28 28 MET N N 15 120.238 0.3 . 6 . . . . B 29 MET N . 25296 2 64 . 2 2 29 29 LEU H H 1 8.223 0.020 . 6 . . . . B 30 LEU H . 25296 2 65 . 2 2 29 29 LEU N N 15 119.826 0.3 . 6 . . . . B 30 LEU N . 25296 2 66 . 2 2 30 30 GLU H H 1 7.742 0.020 . 6 . . . . B 31 GLU H . 25296 2 67 . 2 2 30 30 GLU N N 15 117.848 0.3 . 6 . . . . B 31 GLU N . 25296 2 68 . 2 2 31 31 LYS H H 1 7.779 0.020 . 6 . . . . B 32 LYS H . 25296 2 69 . 2 2 31 31 LYS N N 15 118.368 0.3 . 6 . . . . B 32 LYS N . 25296 2 70 . 2 2 32 32 LEU H H 1 8.491 0.020 . 6 . . . . B 33 LEU H . 25296 2 71 . 2 2 32 32 LEU N N 15 119.513 0.3 . 6 . . . . B 33 LEU N . 25296 2 72 . 2 2 33 33 GLU H H 1 8.587 0.020 . 6 . . . . B 34 GLU H . 25296 2 73 . 2 2 33 33 GLU N N 15 118.937 0.3 . 6 . . . . B 34 GLU N . 25296 2 74 . 2 2 34 34 VAL H H 1 7.659 0.020 . 6 . . . . B 35 VAL H . 25296 2 75 . 2 2 34 34 VAL N N 15 119.509 0.3 . 6 . . . . B 35 VAL N . 25296 2 76 . 2 2 35 35 VAL H H 1 7.821 0.020 . 6 . . . . B 36 VAL H . 25296 2 77 . 2 2 35 35 VAL N N 15 119.829 0.3 . 6 . . . . B 36 VAL N . 25296 2 78 . 2 2 36 36 VAL H H 1 8.912 0.020 . 6 . . . . B 37 VAL H . 25296 2 79 . 2 2 36 36 VAL N N 15 121.182 0.3 . 6 . . . . B 37 VAL N . 25296 2 80 . 2 2 37 37 ASN H H 1 8.491 0.020 . 6 . . . . B 38 ASN H . 25296 2 81 . 2 2 37 37 ASN HD21 H 1 7.517 0.020 . 6 . . . . B 38 ASN HD21 . 25296 2 82 . 2 2 37 37 ASN HD22 H 1 7.046 0.020 . 6 . . . . B 38 ASN HD22 . 25296 2 83 . 2 2 37 37 ASN N N 15 118.651 0.3 . 6 . . . . B 38 ASN N . 25296 2 84 . 2 2 37 37 ASN ND2 N 15 113.527 0.3 . 6 . . . . B 38 ASN ND2 . 25296 2 85 . 2 2 38 38 GLU H H 1 8.296 0.020 . 6 . . . . B 39 GLU H . 25296 2 86 . 2 2 38 38 GLU N N 15 120.224 0.3 . 6 . . . . B 39 GLU N . 25296 2 87 . 2 2 39 39 ARG H H 1 7.881 0.020 . 6 . . . . B 40 ARG H . 25296 2 88 . 2 2 39 39 ARG N N 15 120.592 0.3 . 6 . . . . B 40 ARG N . 25296 2 89 . 2 2 40 40 ARG H H 1 8.801 0.020 . 6 . . . . B 41 ARG H . 25296 2 90 . 2 2 40 40 ARG N N 15 120.427 0.3 . 6 . . . . B 41 ARG N . 25296 2 91 . 2 2 41 41 GLU H H 1 7.929 0.020 . 6 . . . . B 42 GLU H . 25296 2 92 . 2 2 41 41 GLU N N 15 120.000 0.3 . 6 . . . . B 42 GLU N . 25296 2 93 . 2 2 42 42 GLU H H 1 8.442 0.020 . 6 . . . . B 43 GLU H . 25296 2 94 . 2 2 42 42 GLU N N 15 121.940 0.3 . 6 . . . . B 43 GLU N . 25296 2 95 . 2 2 43 43 GLU H H 1 8.027 0.020 . 6 . . . . B 44 GLU H . 25296 2 96 . 2 2 43 43 GLU N N 15 117.273 0.3 . 6 . . . . B 44 GLU N . 25296 2 97 . 2 2 44 44 SER H H 1 7.740 0.020 . 6 . . . . B 45 SER H . 25296 2 98 . 2 2 44 44 SER N N 15 114.616 0.3 . 6 . . . . B 45 SER N . 25296 2 99 . 2 2 45 45 ALA H H 1 7.841 0.020 . 6 . . . . B 46 ALA H . 25296 2 100 . 2 2 45 45 ALA N N 15 125.642 0.3 . 6 . . . . B 46 ALA N . 25296 2 101 . 2 2 46 46 ALA H H 1 7.740 0.020 . 6 . . . . . 47 ALA H . 25296 2 102 . 2 2 46 46 ALA N N 15 128.934 0.3 . 6 . . . . . 47 ALA N . 25296 2 stop_ save_