################################### # 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 16750 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16750 1 2 '3D HNCO' . . . 16750 1 3 '3D HNCA' . . . 16750 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 16 16 PRO C C 13 176.91 . . 1 . . . . 1 Pro C . 16750 1 2 . 1 1 16 16 PRO CA C 13 63.13 . . 1 . . . . 1 Pro CA . 16750 1 3 . 1 1 17 17 ARG H H 1 8.51 . . 1 . . . . 2 Arg H . 16750 1 4 . 1 1 17 17 ARG C C 13 177.07 . . 1 . . . . 2 Arg C . 16750 1 5 . 1 1 17 17 ARG CA C 13 56.52 . . 1 . . . . 2 Arg CA . 16750 1 6 . 1 1 17 17 ARG N N 15 122.24 . . 1 . . . . 2 Arg N . 16750 1 7 . 1 1 18 18 GLY H H 1 8.49 . . 1 . . . . 3 Gly H . 16750 1 8 . 1 1 18 18 GLY C C 13 174.09 . . 1 . . . . 3 Gly C . 16750 1 9 . 1 1 18 18 GLY CA C 13 58.16 . . 1 . . . . 3 Gly CA . 16750 1 10 . 1 1 18 18 GLY N N 15 122.03 . . 1 . . . . 3 Gly N . 16750 1 11 . 1 1 19 19 SER H H 1 8.21 . . 1 . . . . 4 Ser H . 16750 1 12 . 1 1 19 19 SER C C 13 174.45 . . 1 . . . . 4 Ser C . 16750 1 13 . 1 1 19 19 SER CA C 13 58.38 . . 1 . . . . 4 Ser CA . 16750 1 14 . 1 1 19 19 SER N N 15 115.45 . . 1 . . . . 4 Ser N . 16750 1 15 . 1 1 20 20 HIS H H 1 8.64 . . 1 . . . . 5 His H . 16750 1 16 . 1 1 20 20 HIS C C 13 174.09 . . 1 . . . . 5 His C . 16750 1 17 . 1 1 20 20 HIS CA C 13 55.29 . . 1 . . . . 5 His CA . 16750 1 18 . 1 1 20 20 HIS N N 15 120.37 . . 1 . . . . 5 His N . 16750 1 19 . 1 1 21 21 MET H H 1 8.43 . . 1 . . . . 6 Met H . 16750 1 20 . 1 1 21 21 MET C C 13 175.93 . . 1 . . . . 6 Met C . 16750 1 21 . 1 1 21 21 MET CA C 13 55.67 . . 1 . . . . 6 Met CA . 16750 1 22 . 1 1 21 21 MET N N 15 122.28 . . 1 . . . . 6 Met N . 16750 1 23 . 1 1 22 22 VAL H H 1 8.34 . . 1 . . . . 7 Val H . 16750 1 24 . 1 1 22 22 VAL C C 13 176.26 . . 1 . . . . 7 Val C . 16750 1 25 . 1 1 22 22 VAL CA C 13 62.32 . . 1 . . . . 7 Val CA . 16750 1 26 . 1 1 22 22 VAL N N 15 122.36 . . 1 . . . . 7 Val N . 16750 1 27 . 1 1 23 23 THR H H 1 8.31 . . 1 . . . . 8 Thr H . 16750 1 28 . 1 1 23 23 THR C C 13 174.43 . . 1 . . . . 8 Thr C . 16750 1 29 . 1 1 23 23 THR CA C 13 61.74 . . 1 . . . . 8 Thr CA . 16750 1 30 . 1 1 23 23 THR N N 15 118.44 . . 1 . . . . 8 Thr N . 16750 1 31 . 1 1 24 24 THR H H 1 8.09 . . 1 . . . . 9 Thr H . 16750 1 32 . 1 1 24 24 THR C C 13 173.93 . . 1 . . . . 9 Thr C . 16750 1 33 . 1 1 24 24 THR CA C 13 61.77 . . 1 . . . . 9 Thr CA . 16750 1 34 . 1 1 24 24 THR N N 15 116.7 . . 1 . . . . 9 Thr N . 16750 1 35 . 1 1 25 25 PHE H H 1 8.29 . . 1 . . . . 10 Phe H . 16750 1 36 . 1 1 25 25 PHE C C 13 175.33 . . 1 . . . . 10 Phe C . 16750 1 37 . 1 1 25 25 PHE CA C 13 58.04 . . 1 . . . . 10 Phe CA . 16750 1 38 . 1 1 25 25 PHE N N 15 123.19 . . 1 . . . . 10 Phe N . 16750 1 39 . 1 1 26 26 VAL H H 1 7.98 . . 1 . . . . 11 Val H . 16750 1 40 . 1 1 26 26 VAL C C 13 175.19 . . 1 . . . . 11 Val C . 16750 1 41 . 1 1 26 26 VAL CA C 13 62.28 . . 1 . . . . 11 Val CA . 16750 1 42 . 1 1 26 26 VAL N N 15 123.36 . . 1 . . . . 11 Val N . 16750 1 43 . 1 1 27 27 ALA H H 1 8.19 . . 1 . . . . 12 Ala H . 16750 1 44 . 1 1 27 27 ALA C C 13 177.47 . . 1 . . . . 12 Ala C . 16750 1 45 . 1 1 27 27 ALA CA C 13 52.56 . . 1 . . . . 12 Ala CA . 16750 1 46 . 1 1 27 27 ALA N N 15 115.97 . . 1 . . . . 12 Ala N . 16750 1 47 . 1 1 28 28 LEU H H 1 8.05 . . 1 . . . . 13 Leu H . 16750 1 48 . 1 1 28 28 LEU C C 13 177.11 . . 1 . . . . 13 Leu C . 16750 1 49 . 1 1 28 28 LEU CA C 13 55.51 . . 1 . . . . 13 Leu CA . 16750 1 50 . 1 1 28 28 LEU N N 15 121.36 . . 1 . . . . 13 Leu N . 16750 1 51 . 1 1 29 29 TYR H H 1 8 . . 1 . . . . 14 Tyr H . 16750 1 52 . 1 1 29 29 TYR C C 13 175.67 . . 1 . . . . 14 Tyr C . 16750 1 53 . 1 1 29 29 TYR CA C 13 57.82 . . 1 . . . . 14 Tyr CA . 16750 1 54 . 1 1 29 29 TYR N N 15 119.73 . . 1 . . . . 14 Tyr N . 16750 1 55 . 1 1 30 30 ASP H H 1 8.27 . . 1 . . . . 15 Asp H . 16750 1 56 . 1 1 30 30 ASP C C 13 174.87 . . 1 . . . . 15 Asp C . 16750 1 57 . 1 1 30 30 ASP CA C 13 52.97 . . 1 . . . . 15 Asp CA . 16750 1 58 . 1 1 30 30 ASP N N 15 120.43 . . 1 . . . . 15 Asp N . 16750 1 59 . 1 1 31 31 TYR H H 1 7.99 . . 1 . . . . 16 Tyr H . 16750 1 60 . 1 1 31 31 TYR C C 13 173.75 . . 1 . . . . 16 Tyr C . 16750 1 61 . 1 1 31 31 TYR CA C 13 58.68 . . 1 . . . . 16 Tyr CA . 16750 1 62 . 1 1 31 31 TYR N N 15 120.79 . . 1 . . . . 16 Tyr N . 16750 1 63 . 1 1 32 32 GLU H H 1 8.12 . . 1 . . . . 17 Glu H . 16750 1 64 . 1 1 32 32 GLU C C 13 175.93 . . 1 . . . . 17 Glu C . 16750 1 65 . 1 1 32 32 GLU CA C 13 56.07 . . 1 . . . . 17 Glu CA . 16750 1 66 . 1 1 32 32 GLU N N 15 121.02 . . 1 . . . . 17 Glu N . 16750 1 67 . 1 1 33 33 SER H H 1 8.15 . . 1 . . . . 18 Ser H . 16750 1 68 . 1 1 33 33 SER C C 13 174.86 . . 1 . . . . 18 Ser C . 16750 1 69 . 1 1 33 33 SER CA C 13 58.6 . . 1 . . . . 18 Ser CA . 16750 1 70 . 1 1 33 33 SER N N 15 116.28 . . 1 . . . . 18 Ser N . 16750 1 71 . 1 1 34 34 ARG H H 1 8.34 . . 1 . . . . 19 Arg H . 16750 1 72 . 1 1 34 34 ARG C C 13 176.61 . . 1 . . . . 19 Arg C . 16750 1 73 . 1 1 34 34 ARG CA C 13 56.64 . . 1 . . . . 19 Arg CA . 16750 1 74 . 1 1 34 34 ARG N N 15 122.79 . . 1 . . . . 19 Arg N . 16750 1 75 . 1 1 35 35 THR H H 1 8.09 . . 1 . . . . 20 Thr H . 16750 1 76 . 1 1 35 35 THR C C 13 174.73 . . 1 . . . . 20 Thr C . 16750 1 77 . 1 1 35 35 THR CA C 13 62.23 . . 1 . . . . 20 Thr CA . 16750 1 78 . 1 1 35 35 THR N N 15 125.84 . . 1 . . . . 20 Thr N . 16750 1 79 . 1 1 36 36 GLU H H 1 8.31 . . 1 . . . . 21 Glu H . 16750 1 80 . 1 1 36 36 GLU C C 13 176.25 . . 1 . . . . 21 Glu C . 16750 1 81 . 1 1 36 36 GLU CA C 13 56.09 . . 1 . . . . 21 Glu CA . 16750 1 82 . 1 1 36 36 GLU N N 15 122.4 . . 1 . . . . 21 Glu N . 16750 1 83 . 1 1 37 37 THR H H 1 8.18 . . 1 . . . . 22 Thr H . 16750 1 84 . 1 1 37 37 THR C C 13 174.38 . . 1 . . . . 22 Thr C . 16750 1 85 . 1 1 37 37 THR CA C 13 62.26 . . 1 . . . . 22 Thr CA . 16750 1 86 . 1 1 37 37 THR N N 15 114.89 . . 1 . . . . 22 Thr N . 16750 1 87 . 1 1 38 38 ASP H H 1 8.45 . . 1 . . . . 23 Asp H . 16750 1 88 . 1 1 38 38 ASP C C 13 175.21 . . 1 . . . . 23 Asp C . 16750 1 89 . 1 1 38 38 ASP CA C 13 53.2 . . 1 . . . . 23 Asp CA . 16750 1 90 . 1 1 38 38 ASP N N 15 120.92 . . 1 . . . . 23 Asp N . 16750 1 91 . 1 1 39 39 LEU H H 1 8.18 . . 1 . . . . 24 Leu H . 16750 1 92 . 1 1 39 39 LEU C C 13 177.37 . . 1 . . . . 24 Leu C . 16750 1 93 . 1 1 39 39 LEU CA C 13 55.58 . . 1 . . . . 24 Leu CA . 16750 1 94 . 1 1 39 39 LEU N N 15 122.56 . . 1 . . . . 24 Leu N . 16750 1 95 . 1 1 40 40 SER H H 1 8.11 . . 1 . . . . 25 Ser H . 16750 1 96 . 1 1 40 40 SER C C 13 174.25 . . 1 . . . . 25 Ser C . 16750 1 97 . 1 1 40 40 SER CA C 13 58.54 . . 1 . . . . 25 Ser CA . 16750 1 98 . 1 1 40 40 SER N N 15 115.67 . . 1 . . . . 25 Ser N . 16750 1 99 . 1 1 41 41 PHE H H 1 8.09 . . 1 . . . . 26 Phe H . 16750 1 100 . 1 1 41 41 PHE C C 13 175.64 . . 1 . . . . 26 Phe C . 16750 1 101 . 1 1 41 41 PHE CA C 13 57.84 . . 1 . . . . 26 Phe CA . 16750 1 102 . 1 1 41 41 PHE N N 15 122.13 . . 1 . . . . 26 Phe N . 16750 1 103 . 1 1 42 42 LYS H H 1 8.09 . . 1 . . . . 27 Lys H . 16750 1 104 . 1 1 42 42 LYS C C 13 176.27 . . 1 . . . . 27 Lys C . 16750 1 105 . 1 1 42 42 LYS CA C 13 56.25 . . 1 . . . . 27 Lys CA . 16750 1 106 . 1 1 42 42 LYS N N 15 122.96 . . 1 . . . . 27 Lys N . 16750 1 107 . 1 1 43 43 LYS H H 1 8.3 . . 1 . . . . 28 Lys H . 16750 1 108 . 1 1 43 43 LYS C C 13 177.17 . . 1 . . . . 28 Lys C . 16750 1 109 . 1 1 43 43 LYS CA C 13 57.07 . . 1 . . . . 28 Lys CA . 16750 1 110 . 1 1 43 43 LYS N N 15 122.78 . . 1 . . . . 28 Lys N . 16750 1 111 . 1 1 44 44 GLY H H 1 8.48 . . 1 . . . . 29 Gly H . 16750 1 112 . 1 1 44 44 GLY C C 13 174.09 . . 1 . . . . 29 Gly C . 16750 1 113 . 1 1 44 44 GLY CA C 13 58.16 . . 1 . . . . 29 Gly CA . 16750 1 114 . 1 1 44 44 GLY N N 15 121.97 . . 1 . . . . 29 Gly N . 16750 1 115 . 1 1 45 45 GLU H H 1 8.08 . . 1 . . . . 30 Glu H . 16750 1 116 . 1 1 45 45 GLU C C 13 175.86 . . 1 . . . . 30 Glu C . 16750 1 117 . 1 1 45 45 GLU CA C 13 55.77 . . 1 . . . . 30 Glu CA . 16750 1 118 . 1 1 45 45 GLU N N 15 119.86 . . 1 . . . . 30 Glu N . 16750 1 119 . 1 1 46 46 ARG H H 1 8.45 . . 1 . . . . 31 Arg H . 16750 1 120 . 1 1 46 46 ARG C C 13 176 . . 1 . . . . 31 Arg C . 16750 1 121 . 1 1 46 46 ARG CA C 13 56.19 . . 1 . . . . 31 Arg CA . 16750 1 122 . 1 1 46 46 ARG N N 15 122.7 . . 1 . . . . 31 Arg N . 16750 1 123 . 1 1 47 47 LEU H H 1 8.29 . . 1 . . . . 32 Leu H . 16750 1 124 . 1 1 47 47 LEU C C 13 177 . . 1 . . . . 32 Leu C . 16750 1 125 . 1 1 47 47 LEU CA C 13 55.17 . . 1 . . . . 32 Leu CA . 16750 1 126 . 1 1 47 47 LEU N N 15 123.94 . . 1 . . . . 32 Leu N . 16750 1 127 . 1 1 48 48 GLN H H 1 8.43 . . 1 . . . . 33 Gln H . 16750 1 128 . 1 1 48 48 GLN C C 13 175.51 . . 1 . . . . 33 Gln C . 16750 1 129 . 1 1 48 48 GLN CA C 13 55.69 . . 1 . . . . 33 Gln CA . 16750 1 130 . 1 1 48 48 GLN N N 15 122.08 . . 1 . . . . 33 Gln N . 16750 1 131 . 1 1 49 49 ILE H H 1 8.22 . . 1 . . . . 34 Ile H . 16750 1 132 . 1 1 49 49 ILE C C 13 176.12 . . 1 . . . . 34 Ile C . 16750 1 133 . 1 1 49 49 ILE CA C 13 61.09 . . 1 . . . . 34 Ile CA . 16750 1 134 . 1 1 49 49 ILE N N 15 123.19 . . 1 . . . . 34 Ile N . 16750 1 135 . 1 1 50 50 VAL H H 1 8.24 . . 1 . . . . 35 Val H . 16750 1 136 . 1 1 50 50 VAL C C 13 175.57 . . 1 . . . . 35 Val C . 16750 1 137 . 1 1 50 50 VAL CA C 13 62.16 . . 1 . . . . 35 Val CA . 16750 1 138 . 1 1 50 50 VAL N N 15 124.62 . . 1 . . . . 35 Val N . 16750 1 139 . 1 1 51 51 ASN H H 1 8.49 . . 1 . . . . 36 Asn H . 16750 1 140 . 1 1 51 51 ASN C C 13 174.87 . . 1 . . . . 36 Asn C . 16750 1 141 . 1 1 51 51 ASN CA C 13 53.17 . . 1 . . . . 36 Asn CA . 16750 1 142 . 1 1 51 51 ASN N N 15 122.75 . . 1 . . . . 36 Asn N . 16750 1 143 . 1 1 52 52 ASN H H 1 8.46 . . 1 . . . . 37 Asn H . 16750 1 144 . 1 1 52 52 ASN C C 13 175.66 . . 1 . . . . 37 Asn C . 16750 1 145 . 1 1 52 52 ASN CA C 13 53.49 . . 1 . . . . 37 Asn CA . 16750 1 146 . 1 1 52 52 ASN N N 15 119.9 . . 1 . . . . 37 Asn N . 16750 1 147 . 1 1 53 53 THR H H 1 8.18 . . 1 . . . . 38 Thr H . 16750 1 148 . 1 1 53 53 THR C C 13 174.96 . . 1 . . . . 38 Thr C . 16750 1 149 . 1 1 53 53 THR CA C 13 62.33 . . 1 . . . . 38 Thr CA . 16750 1 150 . 1 1 53 53 THR N N 15 125.32 . . 1 . . . . 38 Thr N . 16750 1 151 . 1 1 54 54 GLU H H 1 8.27 . . 1 . . . . 39 Glu H . 16750 1 152 . 1 1 54 54 GLU C C 13 176.57 . . 1 . . . . 39 Glu C . 16750 1 153 . 1 1 54 54 GLU CA C 13 56.4 . . 1 . . . . 39 Glu CA . 16750 1 154 . 1 1 54 54 GLU N N 15 121.76 . . 1 . . . . 39 Glu N . 16750 1 155 . 1 1 55 55 GLY H H 1 8.31 . . 1 . . . . 40 Gly H . 16750 1 156 . 1 1 55 55 GLY C C 13 174.22 . . 1 . . . . 40 Gly C . 16750 1 157 . 1 1 55 55 GLY CA C 13 58.4 . . 1 . . . . 40 Gly CA . 16750 1 158 . 1 1 55 55 GLY N N 15 120.6 . . 1 . . . . 40 Gly N . 16750 1 159 . 1 1 56 56 ASP H H 1 8.22 . . 1 . . . . 41 Asp H . 16750 1 160 . 1 1 56 56 ASP C C 13 175.83 . . 1 . . . . 41 Asp C . 16750 1 161 . 1 1 56 56 ASP CA C 13 52.67 . . 1 . . . . 41 Asp CA . 16750 1 162 . 1 1 56 56 ASP N N 15 119.03 . . 1 . . . . 41 Asp N . 16750 1 163 . 1 1 57 57 TRP H H 1 7.91 . . 1 . . . . 42 Trp H . 16750 1 164 . 1 1 57 57 TRP C C 13 176.87 . . 1 . . . . 42 Trp C . 16750 1 165 . 1 1 57 57 TRP CA C 13 59.05 . . 1 . . . . 42 Trp CA . 16750 1 166 . 1 1 57 57 TRP N N 15 122.52 . . 1 . . . . 42 Trp N . 16750 1 167 . 1 1 58 58 TRP H H 1 7.27 . . 1 . . . . 43 Trp H . 16750 1 168 . 1 1 58 58 TRP C C 13 176.34 . . 1 . . . . 43 Trp C . 16750 1 169 . 1 1 58 58 TRP CA C 13 58.54 . . 1 . . . . 43 Trp CA . 16750 1 170 . 1 1 58 58 TRP N N 15 119.59 . . 1 . . . . 43 Trp N . 16750 1 171 . 1 1 59 59 LEU H H 1 7.28 . . 1 . . . . 44 Leu H . 16750 1 172 . 1 1 59 59 LEU C C 13 177.28 . . 1 . . . . 44 Leu C . 16750 1 173 . 1 1 59 59 LEU CA C 13 55.45 . . 1 . . . . 44 Leu CA . 16750 1 174 . 1 1 59 59 LEU N N 15 121.67 . . 1 . . . . 44 Leu N . 16750 1 175 . 1 1 60 60 ALA H H 1 7.75 . . 1 . . . . 45 Ala H . 16750 1 176 . 1 1 60 60 ALA C C 13 177.59 . . 1 . . . . 45 Ala C . 16750 1 177 . 1 1 60 60 ALA CA C 13 52.9 . . 1 . . . . 45 Ala CA . 16750 1 178 . 1 1 60 60 ALA N N 15 122.42 . . 1 . . . . 45 Ala N . 16750 1 179 . 1 1 61 61 HIS H H 1 8.14 . . 1 . . . . 46 His H . 16750 1 180 . 1 1 61 61 HIS C C 13 174.3 . . 1 . . . . 46 His C . 16750 1 181 . 1 1 61 61 HIS CA C 13 55.47 . . 1 . . . . 46 His CA . 16750 1 182 . 1 1 61 61 HIS N N 15 116.43 . . 1 . . . . 46 His N . 16750 1 183 . 1 1 62 62 SER H H 1 8.18 . . 1 . . . . 47 Ser H . 16750 1 184 . 1 1 62 62 SER C C 13 174.53 . . 1 . . . . 47 Ser C . 16750 1 185 . 1 1 62 62 SER CA C 13 58.55 . . 1 . . . . 47 Ser CA . 16750 1 186 . 1 1 62 62 SER N N 15 116.25 . . 1 . . . . 47 Ser N . 16750 1 187 . 1 1 63 63 LEU H H 1 8.36 . . 1 . . . . 48 Leu H . 16750 1 188 . 1 1 63 63 LEU C C 13 177.73 . . 1 . . . . 48 Leu C . 16750 1 189 . 1 1 63 63 LEU CA C 13 55.5 . . 1 . . . . 48 Leu CA . 16750 1 190 . 1 1 63 63 LEU N N 15 123.85 . . 1 . . . . 48 Leu N . 16750 1 191 . 1 1 64 64 THR H H 1 8.18 . . 1 . . . . 49 Thr H . 16750 1 192 . 1 1 64 64 THR C C 13 174.85 . . 1 . . . . 49 Thr C . 16750 1 193 . 1 1 64 64 THR CA C 13 61.74 . . 1 . . . . 49 Thr CA . 16750 1 194 . 1 1 64 64 THR N N 15 125.57 . . 1 . . . . 49 Thr N . 16750 1 195 . 1 1 65 65 THR H H 1 8.06 . . 1 . . . . 50 Thr H . 16750 1 196 . 1 1 65 65 THR C C 13 175.02 . . 1 . . . . 50 Thr C . 16750 1 197 . 1 1 65 65 THR CA C 13 62.16 . . 1 . . . . 50 Thr CA . 16750 1 198 . 1 1 65 65 THR N N 15 115.28 . . 1 . . . . 50 Thr N . 16750 1 199 . 1 1 66 66 GLY H H 1 8.39 . . 1 . . . . 51 Gly H . 16750 1 200 . 1 1 66 66 GLY C C 13 174.16 . . 1 . . . . 51 Gly C . 16750 1 201 . 1 1 66 66 GLY CA C 13 58.16 . . 1 . . . . 51 Gly CA . 16750 1 202 . 1 1 66 66 GLY N N 15 122.71 . . 1 . . . . 51 Gly N . 16750 1 203 . 1 1 67 67 GLN H H 1 8.24 . . 1 . . . . 52 Gln H . 16750 1 204 . 1 1 67 67 GLN C C 13 176.35 . . 1 . . . . 52 Gln C . 16750 1 205 . 1 1 67 67 GLN CA C 13 55.97 . . 1 . . . . 52 Gln CA . 16750 1 206 . 1 1 67 67 GLN N N 15 119.89 . . 1 . . . . 52 Gln N . 16750 1 207 . 1 1 68 68 THR H H 1 8.28 . . 1 . . . . 53 Thr H . 16750 1 208 . 1 1 68 68 THR C C 13 175.04 . . 1 . . . . 53 Thr C . 16750 1 209 . 1 1 68 68 THR CA C 13 62.19 . . 1 . . . . 53 Thr CA . 16750 1 210 . 1 1 68 68 THR N N 15 115.09 . . 1 . . . . 53 Thr N . 16750 1 211 . 1 1 69 69 GLY H H 1 8.38 . . 1 . . . . 54 Gly H . 16750 1 212 . 1 1 69 69 GLY C C 13 178.9 . . 1 . . . . 54 Gly C . 16750 1 213 . 1 1 69 69 GLY CA C 13 58.16 . . 1 . . . . 54 Gly CA . 16750 1 214 . 1 1 69 69 GLY N N 15 122.57 . . 1 . . . . 54 Gly N . 16750 1 215 . 1 1 70 70 TYR H H 1 8.05 . . 1 . . . . 55 Tyr H . 16750 1 216 . 1 1 70 70 TYR C C 13 174.97 . . 1 . . . . 55 Tyr C . 16750 1 217 . 1 1 70 70 TYR CA C 13 58.05 . . 1 . . . . 55 Tyr CA . 16750 1 218 . 1 1 70 70 TYR N N 15 120.69 . . 1 . . . . 55 Tyr N . 16750 1 219 . 1 1 71 71 ILE H H 1 7.98 . . 1 . . . . 56 Ile H . 16750 1 220 . 1 1 71 71 ILE CA C 13 57.98 . . 1 . . . . 56 Ile CA . 16750 1 221 . 1 1 71 71 ILE N N 15 115.13 . . 1 . . . . 56 Ile N . 16750 1 222 . 1 1 72 72 PRO C C 13 176.9 . . 1 . . . . 57 Pro C . 16750 1 223 . 1 1 72 72 PRO CA C 13 58.37 . . 1 . . . . 57 Pro CA . 16750 1 224 . 1 1 73 73 SER H H 1 8.36 . . 1 . . . . 58 Ser H . 16750 1 225 . 1 1 73 73 SER C C 13 174.44 . . 1 . . . . 58 Ser C . 16750 1 226 . 1 1 73 73 SER CA C 13 63.09 . . 1 . . . . 58 Ser CA . 16750 1 227 . 1 1 73 73 SER N N 15 115.73 . . 1 . . . . 58 Ser N . 16750 1 228 . 1 1 74 74 ASN H H 1 8.36 . . 1 . . . . 59 Asn H . 16750 1 229 . 1 1 74 74 ASN C C 13 174.58 . . 1 . . . . 59 Asn C . 16750 1 230 . 1 1 74 74 ASN CA C 13 53.17 . . 1 . . . . 59 Asn CA . 16750 1 231 . 1 1 74 74 ASN N N 15 119.96 . . 1 . . . . 59 Asn N . 16750 1 232 . 1 1 75 75 TYR H H 1 8.04 . . 1 . . . . 60 Tyr H . 16750 1 233 . 1 1 75 75 TYR C C 13 174.98 . . 1 . . . . 60 Tyr C . 16750 1 234 . 1 1 75 75 TYR CA C 13 58.48 . . 1 . . . . 60 Tyr CA . 16750 1 235 . 1 1 75 75 TYR N N 15 121.08 . . 1 . . . . 60 Tyr N . 16750 1 236 . 1 1 76 76 VAL H H 1 7.78 . . 1 . . . . 61 Val H . 16750 1 237 . 1 1 76 76 VAL C C 13 174.57 . . 1 . . . . 61 Val C . 16750 1 238 . 1 1 76 76 VAL CA C 13 61.43 . . 1 . . . . 61 Val CA . 16750 1 239 . 1 1 76 76 VAL N N 15 125.6 . . 1 . . . . 61 Val N . 16750 1 240 . 1 1 77 77 ALA H H 1 8.27 . . 1 . . . . 62 Ala H . 16750 1 241 . 1 1 77 77 ALA CA C 13 63.54 . . 1 . . . . 62 Ala CA . 16750 1 242 . 1 1 77 77 ALA N N 15 118.23 . . 1 . . . . 62 Ala N . 16750 1 243 . 1 1 78 78 PRO C C 13 176.89 . . 1 . . . . 63 Pro C . 16750 1 244 . 1 1 78 78 PRO CA C 13 63.07 . . 1 . . . . 63 Pro CA . 16750 1 245 . 1 1 79 79 SER H H 1 8.38 . . 1 . . . . 64 Ser H . 16750 1 246 . 1 1 79 79 SER C C 13 174.09 . . 1 . . . . 64 Ser C . 16750 1 247 . 1 1 79 79 SER CA C 13 58.77 . . 1 . . . . 64 Ser CA . 16750 1 248 . 1 1 79 79 SER N N 15 115.91 . . 1 . . . . 64 Ser N . 16750 1 249 . 1 1 80 80 ASN H H 1 8.33 . . 1 . . . . 65 Asn H . 16750 1 250 . 1 1 80 80 ASN CA C 13 52.07 . . 1 . . . . 65 Asn CA . 16750 1 251 . 1 1 80 80 ASN N N 15 120.9 . . 1 . . . . 65 Asn N . 16750 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 16750 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '2D 1H-15N HSQC' . . . 16750 2 5 '3D HNCO' . . . 16750 2 6 '3D HNCA' . . . 16750 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.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 PRO C C 13 176.9 . . 1 . . . . 1 Pro C . 16750 2 2 . 1 1 16 16 PRO CA C 13 63.13 . . 1 . . . . 1 Pro CA . 16750 2 3 . 1 1 17 17 ARG H H 1 8.51 . . 1 . . . . 2 Arg H . 16750 2 4 . 1 1 17 17 ARG C C 13 177.07 . . 1 . . . . 2 Arg C . 16750 2 5 . 1 1 17 17 ARG CA C 13 56.55 . . 1 . . . . 2 Arg CA . 16750 2 6 . 1 1 17 17 ARG N N 15 122.24 . . 1 . . . . 2 Arg N . 16750 2 7 . 1 1 18 18 GLY H H 1 8.5 . . 1 . . . . 3 Gly H . 16750 2 8 . 1 1 18 18 GLY C C 13 174.07 . . 1 . . . . 3 Gly C . 16750 2 9 . 1 1 18 18 GLY CA C 13 58.21 . . 1 . . . . 3 Gly CA . 16750 2 10 . 1 1 18 18 GLY N N 15 122.03 . . 1 . . . . 3 Gly N . 16750 2 11 . 1 1 19 19 SER H H 1 8.22 . . 1 . . . . 4 Ser H . 16750 2 12 . 1 1 19 19 SER C C 13 174.5 . . 1 . . . . 4 Ser C . 16750 2 13 . 1 1 19 19 SER CA C 13 58.38 . . 1 . . . . 4 Ser CA . 16750 2 14 . 1 1 19 19 SER N N 15 115.45 . . 1 . . . . 4 Ser N . 16750 2 15 . 1 1 20 20 HIS H H 1 8.66 . . 1 . . . . 5 His H . 16750 2 16 . 1 1 20 20 HIS C C 13 174.13 . . 1 . . . . 5 His C . 16750 2 17 . 1 1 20 20 HIS CA C 13 55.31 . . 1 . . . . 5 His CA . 16750 2 18 . 1 1 20 20 HIS N N 15 120.44 . . 1 . . . . 5 His N . 16750 2 19 . 1 1 21 21 MET H H 1 8.46 . . 1 . . . . 6 Met H . 16750 2 20 . 1 1 21 21 MET C C 13 175.94 . . 1 . . . . 6 Met C . 16750 2 21 . 1 1 21 21 MET CA C 13 55.71 . . 1 . . . . 6 Met CA . 16750 2 22 . 1 1 21 21 MET N N 15 122.34 . . 1 . . . . 6 Met N . 16750 2 23 . 1 1 22 22 VAL H H 1 8.36 . . 1 . . . . 7 Val H . 16750 2 24 . 1 1 22 22 VAL C C 13 176.25 . . 1 . . . . 7 Val C . 16750 2 25 . 1 1 22 22 VAL CA C 13 62.32 . . 1 . . . . 7 Val CA . 16750 2 26 . 1 1 22 22 VAL N N 15 122.41 . . 1 . . . . 7 Val N . 16750 2 27 . 1 1 23 23 THR H H 1 8.33 . . 1 . . . . 8 Thr H . 16750 2 28 . 1 1 23 23 THR C C 13 174.43 . . 1 . . . . 8 Thr C . 16750 2 29 . 1 1 23 23 THR CA C 13 61.72 . . 1 . . . . 8 Thr CA . 16750 2 30 . 1 1 23 23 THR N N 15 118.48 . . 1 . . . . 8 Thr N . 16750 2 31 . 1 1 24 24 THR H H 1 8.11 . . 1 . . . . 9 Thr H . 16750 2 32 . 1 1 24 24 THR C C 13 173.92 . . 1 . . . . 9 Thr C . 16750 2 33 . 1 1 24 24 THR CA C 13 61.75 . . 1 . . . . 9 Thr CA . 16750 2 34 . 1 1 24 24 THR N N 15 116.73 . . 1 . . . . 9 Thr N . 16750 2 35 . 1 1 25 25 PHE H H 1 8.31 . . 1 . . . . 10 Phe H . 16750 2 36 . 1 1 25 25 PHE C C 13 175.29 . . 1 . . . . 10 Phe C . 16750 2 37 . 1 1 25 25 PHE CA C 13 58 . . 1 . . . . 10 Phe CA . 16750 2 38 . 1 1 25 25 PHE N N 15 123.27 . . 1 . . . . 10 Phe N . 16750 2 39 . 1 1 26 26 VAL H H 1 8 . . 1 . . . . 11 Val H . 16750 2 40 . 1 1 26 26 VAL C C 13 175.16 . . 1 . . . . 11 Val C . 16750 2 41 . 1 1 26 26 VAL CA C 13 62.2 . . 1 . . . . 11 Val CA . 16750 2 42 . 1 1 26 26 VAL N N 15 123.52 . . 1 . . . . 11 Val N . 16750 2 43 . 1 1 27 27 ALA H H 1 8.21 . . 1 . . . . 12 Ala H . 16750 2 44 . 1 1 27 27 ALA C C 13 177.4 . . 1 . . . . 12 Ala C . 16750 2 45 . 1 1 27 27 ALA CA C 13 52.46 . . 1 . . . . 12 Ala CA . 16750 2 46 . 1 1 27 27 ALA N N 15 116.17 . . 1 . . . . 12 Ala N . 16750 2 47 . 1 1 28 28 LEU H H 1 8.08 . . 1 . . . . 13 Leu H . 16750 2 48 . 1 1 28 28 LEU C C 13 177.08 . . 1 . . . . 13 Leu C . 16750 2 49 . 1 1 28 28 LEU CA C 13 55.45 . . 1 . . . . 13 Leu CA . 16750 2 50 . 1 1 28 28 LEU N N 15 121.51 . . 1 . . . . 13 Leu N . 16750 2 51 . 1 1 29 29 TYR H H 1 8.03 . . 1 . . . . 14 Tyr H . 16750 2 52 . 1 1 29 29 TYR C C 13 175.62 . . 1 . . . . 14 Tyr C . 16750 2 53 . 1 1 29 29 TYR CA C 13 57.76 . . 1 . . . . 14 Tyr CA . 16750 2 54 . 1 1 29 29 TYR N N 15 119.84 . . 1 . . . . 14 Tyr N . 16750 2 55 . 1 1 30 30 ASP H H 1 8.29 . . 1 . . . . 15 Asp H . 16750 2 56 . 1 1 30 30 ASP C C 13 174.81 . . 1 . . . . 15 Asp C . 16750 2 57 . 1 1 30 30 ASP CA C 13 52.92 . . 1 . . . . 15 Asp CA . 16750 2 58 . 1 1 30 30 ASP N N 15 120.53 . . 1 . . . . 15 Asp N . 16750 2 59 . 1 1 31 31 TYR H H 1 8 . . 1 . . . . 16 Tyr H . 16750 2 60 . 1 1 31 31 TYR C C 13 173.74 . . 1 . . . . 16 Tyr C . 16750 2 61 . 1 1 31 31 TYR CA C 13 58.61 . . 1 . . . . 16 Tyr CA . 16750 2 62 . 1 1 31 31 TYR N N 15 120.87 . . 1 . . . . 16 Tyr N . 16750 2 63 . 1 1 32 32 GLU H H 1 8.13 . . 1 . . . . 17 Glu H . 16750 2 64 . 1 1 32 32 GLU C C 13 175.88 . . 1 . . . . 17 Glu C . 16750 2 65 . 1 1 32 32 GLU CA C 13 55.98 . . 1 . . . . 17 Glu CA . 16750 2 66 . 1 1 32 32 GLU N N 15 121.17 . . 1 . . . . 17 Glu N . 16750 2 67 . 1 1 33 33 SER H H 1 8.18 . . 1 . . . . 18 Ser H . 16750 2 68 . 1 1 33 33 SER C C 13 174.83 . . 1 . . . . 18 Ser C . 16750 2 69 . 1 1 33 33 SER CA C 13 58.61 . . 1 . . . . 18 Ser CA . 16750 2 70 . 1 1 33 33 SER N N 15 116.49 . . 1 . . . . 18 Ser N . 16750 2 71 . 1 1 34 34 ARG H H 1 8.38 . . 1 . . . . 19 Arg H . 16750 2 72 . 1 1 34 34 ARG C C 13 176.58 . . 1 . . . . 19 Arg C . 16750 2 73 . 1 1 34 34 ARG CA C 13 56.6 . . 1 . . . . 19 Arg CA . 16750 2 74 . 1 1 34 34 ARG N N 15 122.91 . . 1 . . . . 19 Arg N . 16750 2 75 . 1 1 35 35 THR H H 1 8.13 . . 1 . . . . 20 Thr H . 16750 2 76 . 1 1 35 35 THR C C 13 174.7 . . 1 . . . . 20 Thr C . 16750 2 77 . 1 1 35 35 THR CA C 13 62.2 . . 1 . . . . 20 Thr CA . 16750 2 78 . 1 1 35 35 THR N N 15 126.02 . . 1 . . . . 20 Thr N . 16750 2 79 . 1 1 36 36 GLU H H 1 8.34 . . 1 . . . . 21 Glu H . 16750 2 80 . 1 1 36 36 GLU C C 13 176.22 . . 1 . . . . 21 Glu C . 16750 2 81 . 1 1 36 36 GLU CA C 13 56.05 . . 1 . . . . 21 Glu CA . 16750 2 82 . 1 1 36 36 GLU N N 15 122.49 . . 1 . . . . 21 Glu N . 16750 2 83 . 1 1 37 37 THR H H 1 8.2 . . 1 . . . . 22 Thr H . 16750 2 84 . 1 1 37 37 THR C C 13 174.35 . . 1 . . . . 22 Thr C . 16750 2 85 . 1 1 37 37 THR CA C 13 62.2 . . 1 . . . . 22 Thr CA . 16750 2 86 . 1 1 37 37 THR N N 15 114.96 . . 1 . . . . 22 Thr N . 16750 2 87 . 1 1 38 38 ASP H H 1 8.47 . . 1 . . . . 23 Asp H . 16750 2 88 . 1 1 38 38 ASP C C 13 175.18 . . 1 . . . . 23 Asp C . 16750 2 89 . 1 1 38 38 ASP CA C 13 53.17 . . 1 . . . . 23 Asp CA . 16750 2 90 . 1 1 38 38 ASP N N 15 121.01 . . 1 . . . . 23 Asp N . 16750 2 91 . 1 1 39 39 LEU H H 1 8.19 . . 1 . . . . 24 Leu H . 16750 2 92 . 1 1 39 39 LEU C C 13 177.34 . . 1 . . . . 24 Leu C . 16750 2 93 . 1 1 39 39 LEU CA C 13 55.54 . . 1 . . . . 24 Leu CA . 16750 2 94 . 1 1 39 39 LEU N N 15 122.65 . . 1 . . . . 24 Leu N . 16750 2 95 . 1 1 40 40 SER H H 1 8.14 . . 1 . . . . 25 Ser H . 16750 2 96 . 1 1 40 40 SER C C 13 174.25 . . 1 . . . . 25 Ser C . 16750 2 97 . 1 1 40 40 SER CA C 13 58.49 . . 1 . . . . 25 Ser CA . 16750 2 98 . 1 1 40 40 SER N N 15 115.75 . . 1 . . . . 25 Ser N . 16750 2 99 . 1 1 41 41 PHE H H 1 8.11 . . 1 . . . . 26 Phe H . 16750 2 100 . 1 1 41 41 PHE C C 13 175.63 . . 1 . . . . 26 Phe C . 16750 2 101 . 1 1 41 41 PHE CA C 13 57.8 . . 1 . . . . 26 Phe CA . 16750 2 102 . 1 1 41 41 PHE N N 15 122.19 . . 1 . . . . 26 Phe N . 16750 2 103 . 1 1 42 42 LYS H H 1 8.13 . . 1 . . . . 27 Lys H . 16750 2 104 . 1 1 42 42 LYS C C 13 176.25 . . 1 . . . . 27 Lys C . 16750 2 105 . 1 1 42 42 LYS CA C 13 56.26 . . 1 . . . . 27 Lys CA . 16750 2 106 . 1 1 42 42 LYS N N 15 123.08 . . 1 . . . . 27 Lys N . 16750 2 107 . 1 1 43 43 LYS H H 1 8.33 . . 1 . . . . 28 Lys H . 16750 2 108 . 1 1 43 43 LYS C C 13 177.12 . . 1 . . . . 28 Lys C . 16750 2 109 . 1 1 43 43 LYS CA C 13 57.03 . . 1 . . . . 28 Lys CA . 16750 2 110 . 1 1 43 43 LYS N N 15 122.94 . . 1 . . . . 28 Lys N . 16750 2 111 . 1 1 44 44 GLY H H 1 8.49 . . 1 . . . . 29 Gly H . 16750 2 112 . 1 1 44 44 GLY C C 13 174.07 . . 1 . . . . 29 Gly C . 16750 2 113 . 1 1 44 44 GLY CA C 13 58.21 . . 1 . . . . 29 Gly CA . 16750 2 114 . 1 1 44 44 GLY N N 15 121.97 . . 1 . . . . 29 Gly N . 16750 2 115 . 1 1 45 45 GLU H H 1 8.12 . . 1 . . . . 30 Glu H . 16750 2 116 . 1 1 45 45 GLU C C 13 175.88 . . 1 . . . . 30 Glu C . 16750 2 117 . 1 1 45 45 GLU CA C 13 55.76 . . 1 . . . . 30 Glu CA . 16750 2 118 . 1 1 45 45 GLU N N 15 119.89 . . 1 . . . . 30 Glu N . 16750 2 119 . 1 1 46 46 ARG H H 1 8.48 . . 1 . . . . 31 Arg H . 16750 2 120 . 1 1 46 46 ARG C C 13 176.03 . . 1 . . . . 31 Arg C . 16750 2 121 . 1 1 46 46 ARG CA C 13 56.19 . . 1 . . . . 31 Arg CA . 16750 2 122 . 1 1 46 46 ARG N N 15 122.85 . . 1 . . . . 31 Arg N . 16750 2 123 . 1 1 47 47 LEU H H 1 8.33 . . 1 . . . . 32 Leu H . 16750 2 124 . 1 1 47 47 LEU C C 13 177.03 . . 1 . . . . 32 Leu C . 16750 2 125 . 1 1 47 47 LEU CA C 13 55.17 . . 1 . . . . 32 Leu CA . 16750 2 126 . 1 1 47 47 LEU N N 15 124.12 . . 1 . . . . 32 Leu N . 16750 2 127 . 1 1 48 48 GLN H H 1 8.47 . . 1 . . . . 33 Gln H . 16750 2 128 . 1 1 48 48 GLN C C 13 175.54 . . 1 . . . . 33 Gln C . 16750 2 129 . 1 1 48 48 GLN CA C 13 55.71 . . 1 . . . . 33 Gln CA . 16750 2 130 . 1 1 48 48 GLN N N 15 122.21 . . 1 . . . . 33 Gln N . 16750 2 131 . 1 1 49 49 ILE H H 1 8.25 . . 1 . . . . 34 Ile H . 16750 2 132 . 1 1 49 49 ILE C C 13 176.1 . . 1 . . . . 34 Ile C . 16750 2 133 . 1 1 49 49 ILE CA C 13 61.09 . . 1 . . . . 34 Ile CA . 16750 2 134 . 1 1 49 49 ILE N N 15 123.33 . . 1 . . . . 34 Ile N . 16750 2 135 . 1 1 50 50 VAL H H 1 8.26 . . 1 . . . . 35 Val H . 16750 2 136 . 1 1 50 50 VAL C C 13 175.57 . . 1 . . . . 35 Val C . 16750 2 137 . 1 1 50 50 VAL CA C 13 62.14 . . 1 . . . . 35 Val CA . 16750 2 138 . 1 1 50 50 VAL N N 15 124.72 . . 1 . . . . 35 Val N . 16750 2 139 . 1 1 51 51 ASN H H 1 8.52 . . 1 . . . . 36 Asn H . 16750 2 140 . 1 1 51 51 ASN C C 13 174.87 . . 1 . . . . 36 Asn C . 16750 2 141 . 1 1 51 51 ASN CA C 13 53.16 . . 1 . . . . 36 Asn CA . 16750 2 142 . 1 1 51 51 ASN N N 15 122.89 . . 1 . . . . 36 Asn N . 16750 2 143 . 1 1 52 52 ASN H H 1 8.48 . . 1 . . . . 37 Asn H . 16750 2 144 . 1 1 52 52 ASN C C 13 175.64 . . 1 . . . . 37 Asn C . 16750 2 145 . 1 1 52 52 ASN CA C 13 53.48 . . 1 . . . . 37 Asn CA . 16750 2 146 . 1 1 52 52 ASN N N 15 120.01 . . 1 . . . . 37 Asn N . 16750 2 147 . 1 1 53 53 THR H H 1 8.2 . . 1 . . . . 38 Thr H . 16750 2 148 . 1 1 53 53 THR C C 13 174.94 . . 1 . . . . 38 Thr C . 16750 2 149 . 1 1 53 53 THR CA C 13 62.26 . . 1 . . . . 38 Thr CA . 16750 2 150 . 1 1 53 53 THR N N 15 125.35 . . 1 . . . . 38 Thr N . 16750 2 151 . 1 1 54 54 GLU H H 1 8.28 . . 1 . . . . 39 Glu H . 16750 2 152 . 1 1 54 54 GLU C C 13 176.55 . . 1 . . . . 39 Glu C . 16750 2 153 . 1 1 54 54 GLU CA C 13 56.37 . . 1 . . . . 39 Glu CA . 16750 2 154 . 1 1 54 54 GLU N N 15 121.81 . . 1 . . . . 39 Glu N . 16750 2 155 . 1 1 55 55 GLY H H 1 8.31 . . 1 . . . . 40 Gly H . 16750 2 156 . 1 1 55 55 GLY C C 13 174.16 . . 1 . . . . 40 Gly C . 16750 2 157 . 1 1 55 55 GLY CA C 13 58.44 . . 1 . . . . 40 Gly CA . 16750 2 158 . 1 1 55 55 GLY N N 15 120.65 . . 1 . . . . 40 Gly N . 16750 2 159 . 1 1 56 56 ASP H H 1 8.23 . . 1 . . . . 41 Asp H . 16750 2 160 . 1 1 56 56 ASP C C 13 175.78 . . 1 . . . . 41 Asp C . 16750 2 161 . 1 1 56 56 ASP CA C 13 52.64 . . 1 . . . . 41 Asp CA . 16750 2 162 . 1 1 56 56 ASP N N 15 119.03 . . 1 . . . . 41 Asp N . 16750 2 163 . 1 1 57 57 TRP H H 1 7.91 . . 1 . . . . 42 Trp H . 16750 2 164 . 1 1 57 57 TRP C C 13 176.78 . . 1 . . . . 42 Trp C . 16750 2 165 . 1 1 57 57 TRP CA C 13 58.95 . . 1 . . . . 42 Trp CA . 16750 2 166 . 1 1 57 57 TRP N N 15 122.52 . . 1 . . . . 42 Trp N . 16750 2 167 . 1 1 58 58 TRP H H 1 7.27 . . 1 . . . . 43 Trp H . 16750 2 168 . 1 1 58 58 TRP C C 13 176.24 . . 1 . . . . 43 Trp C . 16750 2 169 . 1 1 58 58 TRP CA C 13 58.46 . . 1 . . . . 43 Trp CA . 16750 2 170 . 1 1 58 58 TRP N N 15 119.65 . . 1 . . . . 43 Trp N . 16750 2 171 . 1 1 59 59 LEU H H 1 7.29 . . 1 . . . . 44 Leu H . 16750 2 172 . 1 1 59 59 LEU C C 13 177.19 . . 1 . . . . 44 Leu C . 16750 2 173 . 1 1 59 59 LEU CA C 13 55.35 . . 1 . . . . 44 Leu CA . 16750 2 174 . 1 1 59 59 LEU N N 15 121.79 . . 1 . . . . 44 Leu N . 16750 2 175 . 1 1 60 60 ALA H H 1 7.78 . . 1 . . . . 45 Ala H . 16750 2 176 . 1 1 60 60 ALA C C 13 177.59 . . 1 . . . . 45 Ala C . 16750 2 177 . 1 1 60 60 ALA CA C 13 52.88 . . 1 . . . . 45 Ala CA . 16750 2 178 . 1 1 60 60 ALA N N 15 122.64 . . 1 . . . . 45 Ala N . 16750 2 179 . 1 1 61 61 HIS H H 1 8.18 . . 1 . . . . 46 His H . 16750 2 180 . 1 1 61 61 HIS C C 13 174.32 . . 1 . . . . 46 His C . 16750 2 181 . 1 1 61 61 HIS CA C 13 55.43 . . 1 . . . . 46 His CA . 16750 2 182 . 1 1 61 61 HIS N N 15 116.57 . . 1 . . . . 46 His N . 16750 2 183 . 1 1 62 62 SER H H 1 8.22 . . 1 . . . . 47 Ser H . 16750 2 184 . 1 1 62 62 SER C C 13 174.53 . . 1 . . . . 47 Ser C . 16750 2 185 . 1 1 62 62 SER CA C 13 58.53 . . 1 . . . . 47 Ser CA . 16750 2 186 . 1 1 62 62 SER N N 15 116.38 . . 1 . . . . 47 Ser N . 16750 2 187 . 1 1 63 63 LEU H H 1 8.39 . . 1 . . . . 48 Leu H . 16750 2 188 . 1 1 63 63 LEU C C 13 177.71 . . 1 . . . . 48 Leu C . 16750 2 189 . 1 1 63 63 LEU CA C 13 55.49 . . 1 . . . . 48 Leu CA . 16750 2 190 . 1 1 63 63 LEU N N 15 123.95 . . 1 . . . . 48 Leu N . 16750 2 191 . 1 1 64 64 THR H H 1 8.21 . . 1 . . . . 49 Thr H . 16750 2 192 . 1 1 64 64 THR C C 13 174.86 . . 1 . . . . 49 Thr C . 16750 2 193 . 1 1 64 64 THR CA C 13 61.72 . . 1 . . . . 49 Thr CA . 16750 2 194 . 1 1 64 64 THR N N 15 125.66 . . 1 . . . . 49 Thr N . 16750 2 195 . 1 1 65 65 THR H H 1 8.09 . . 1 . . . . 50 Thr H . 16750 2 196 . 1 1 65 65 THR C C 13 175.02 . . 1 . . . . 50 Thr C . 16750 2 197 . 1 1 65 65 THR CA C 13 62.12 . . 1 . . . . 50 Thr CA . 16750 2 198 . 1 1 65 65 THR N N 15 115.31 . . 1 . . . . 50 Thr N . 16750 2 199 . 1 1 66 66 GLY H H 1 8.4 . . 1 . . . . 51 Gly H . 16750 2 200 . 1 1 66 66 GLY C C 13 174.15 . . 1 . . . . 51 Gly C . 16750 2 201 . 1 1 66 66 GLY CA C 13 58.2 . . 1 . . . . 51 Gly CA . 16750 2 202 . 1 1 66 66 GLY N N 15 122.67 . . 1 . . . . 51 Gly N . 16750 2 203 . 1 1 67 67 GLN H H 1 8.26 . . 1 . . . . 52 Gln H . 16750 2 204 . 1 1 67 67 GLN C C 13 176.35 . . 1 . . . . 52 Gln C . 16750 2 205 . 1 1 67 67 GLN CA C 13 56 . . 1 . . . . 52 Gln CA . 16750 2 206 . 1 1 67 67 GLN N N 15 119.91 . . 1 . . . . 52 Gln N . 16750 2 207 . 1 1 68 68 THR H H 1 8.29 . . 1 . . . . 53 Thr H . 16750 2 208 . 1 1 68 68 THR C C 13 175.05 . . 1 . . . . 53 Thr C . 16750 2 209 . 1 1 68 68 THR CA C 13 62.16 . . 1 . . . . 53 Thr CA . 16750 2 210 . 1 1 68 68 THR N N 15 115.05 . . 1 . . . . 53 Thr N . 16750 2 211 . 1 1 69 69 GLY H H 1 8.39 . . 1 . . . . 54 Gly H . 16750 2 212 . 1 1 69 69 GLY C C 13 178.89 . . 1 . . . . 54 Gly C . 16750 2 213 . 1 1 69 69 GLY CA C 13 58.2 . . 1 . . . . 54 Gly CA . 16750 2 214 . 1 1 69 69 GLY N N 15 122.53 . . 1 . . . . 54 Gly N . 16750 2 215 . 1 1 70 70 TYR H H 1 8.07 . . 1 . . . . 55 Tyr H . 16750 2 216 . 1 1 70 70 TYR C C 13 175 . . 1 . . . . 55 Tyr C . 16750 2 217 . 1 1 70 70 TYR CA C 13 58.06 . . 1 . . . . 55 Tyr CA . 16750 2 218 . 1 1 70 70 TYR N N 15 120.74 . . 1 . . . . 55 Tyr N . 16750 2 219 . 1 1 71 71 ILE H H 1 8 . . 1 . . . . 56 Ile H . 16750 2 220 . 1 1 71 71 ILE CA C 13 58 . . 1 . . . . 56 Ile CA . 16750 2 221 . 1 1 71 71 ILE N N 15 115.15 . . 1 . . . . 56 Ile N . 16750 2 222 . 1 1 72 72 PRO C C 13 176.9 . . 1 . . . . 57 Pro C . 16750 2 223 . 1 1 72 72 PRO CA C 13 58.36 . . 1 . . . . 57 Pro CA . 16750 2 224 . 1 1 73 73 SER H H 1 8.38 . . 1 . . . . 58 Ser H . 16750 2 225 . 1 1 73 73 SER C C 13 174.45 . . 1 . . . . 58 Ser C . 16750 2 226 . 1 1 73 73 SER CA C 13 63.08 . . 1 . . . . 58 Ser CA . 16750 2 227 . 1 1 73 73 SER N N 15 115.78 . . 1 . . . . 58 Ser N . 16750 2 228 . 1 1 74 74 ASN H H 1 8.39 . . 1 . . . . 59 Asn H . 16750 2 229 . 1 1 74 74 ASN C C 13 174.59 . . 1 . . . . 59 Asn C . 16750 2 230 . 1 1 74 74 ASN CA C 13 53.18 . . 1 . . . . 59 Asn CA . 16750 2 231 . 1 1 74 74 ASN N N 15 120.06 . . 1 . . . . 59 Asn N . 16750 2 232 . 1 1 75 75 TYR H H 1 8.06 . . 1 . . . . 60 Tyr H . 16750 2 233 . 1 1 75 75 TYR C C 13 175.01 . . 1 . . . . 60 Tyr C . 16750 2 234 . 1 1 75 75 TYR CA C 13 58.47 . . 1 . . . . 60 Tyr CA . 16750 2 235 . 1 1 75 75 TYR N N 15 121.12 . . 1 . . . . 60 Tyr N . 16750 2 236 . 1 1 76 76 VAL H H 1 7.81 . . 1 . . . . 61 Val H . 16750 2 237 . 1 1 76 76 VAL C C 13 174.61 . . 1 . . . . 61 Val C . 16750 2 238 . 1 1 76 76 VAL CA C 13 61.45 . . 1 . . . . 61 Val CA . 16750 2 239 . 1 1 76 76 VAL N N 15 125.57 . . 1 . . . . 61 Val N . 16750 2 240 . 1 1 77 77 ALA H H 1 8.28 . . 1 . . . . 62 Ala H . 16750 2 241 . 1 1 77 77 ALA CA C 13 63.55 . . 1 . . . . 62 Ala CA . 16750 2 242 . 1 1 77 77 ALA N N 15 118.22 . . 1 . . . . 62 Ala N . 16750 2 243 . 1 1 78 78 PRO C C 13 176.88 . . 1 . . . . 63 Pro C . 16750 2 244 . 1 1 78 78 PRO CA C 13 63.06 . . 1 . . . . 63 Pro CA . 16750 2 245 . 1 1 79 79 SER H H 1 8.39 . . 1 . . . . 64 Ser H . 16750 2 246 . 1 1 79 79 SER C C 13 174.12 . . 1 . . . . 64 Ser C . 16750 2 247 . 1 1 79 79 SER CA C 13 58.71 . . 1 . . . . 64 Ser CA . 16750 2 248 . 1 1 79 79 SER N N 15 115.91 . . 1 . . . . 64 Ser N . 16750 2 249 . 1 1 80 80 ASN H H 1 8.33 . . 1 . . . . 65 Asn H . 16750 2 250 . 1 1 80 80 ASN CA C 13 52.09 . . 1 . . . . 65 Asn CA . 16750 2 251 . 1 1 80 80 ASN N N 15 120.88 . . 1 . . . . 65 Asn N . 16750 2 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 16750 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 7 '2D 1H-15N HSQC' . . . 16750 3 8 '3D HNCO' . . . 16750 3 9 '3D HNCA' . . . 16750 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 16 16 PRO C C 13 176.89 . . 1 . . . . 1 Pro C . 16750 3 2 . 1 1 16 16 PRO CA C 13 63.14 . . 1 . . . . 1 Pro CA . 16750 3 3 . 1 1 17 17 ARG H H 1 8.53 . . 1 . . . . 2 Arg H . 16750 3 4 . 1 1 17 17 ARG C C 13 177.06 . . 1 . . . . 2 Arg C . 16750 3 5 . 1 1 17 17 ARG CA C 13 56.56 . . 1 . . . . 2 Arg CA . 16750 3 6 . 1 1 17 17 ARG N N 15 122.28 . . 1 . . . . 2 Arg N . 16750 3 7 . 1 1 18 18 GLY H H 1 8.5 . . 1 . . . . 3 Gly H . 16750 3 8 . 1 1 18 18 GLY C C 13 174.06 . . 1 . . . . 3 Gly C . 16750 3 9 . 1 1 18 18 GLY CA C 13 58.22 . . 1 . . . . 3 Gly CA . 16750 3 10 . 1 1 18 18 GLY N N 15 122.02 . . 1 . . . . 3 Gly N . 16750 3 11 . 1 1 19 19 SER H H 1 8.23 . . 1 . . . . 4 Ser H . 16750 3 12 . 1 1 19 19 SER C C 13 174.48 . . 1 . . . . 4 Ser C . 16750 3 13 . 1 1 19 19 SER CA C 13 58.4 . . 1 . . . . 4 Ser CA . 16750 3 14 . 1 1 19 19 SER N N 15 115.45 . . 1 . . . . 4 Ser N . 16750 3 15 . 1 1 20 20 HIS H H 1 8.67 . . 1 . . . . 5 His H . 16750 3 16 . 1 1 20 20 HIS C C 13 174.13 . . 1 . . . . 5 His C . 16750 3 17 . 1 1 20 20 HIS CA C 13 55.32 . . 1 . . . . 5 His CA . 16750 3 18 . 1 1 20 20 HIS N N 15 120.47 . . 1 . . . . 5 His N . 16750 3 19 . 1 1 21 21 MET H H 1 8.47 . . 1 . . . . 6 Met H . 16750 3 20 . 1 1 21 21 MET C C 13 175.94 . . 1 . . . . 6 Met C . 16750 3 21 . 1 1 21 21 MET CA C 13 55.71 . . 1 . . . . 6 Met CA . 16750 3 22 . 1 1 21 21 MET N N 15 122.38 . . 1 . . . . 6 Met N . 16750 3 23 . 1 1 22 22 VAL H H 1 8.37 . . 1 . . . . 7 Val H . 16750 3 24 . 1 1 22 22 VAL C C 13 176.25 . . 1 . . . . 7 Val C . 16750 3 25 . 1 1 22 22 VAL CA C 13 62.32 . . 1 . . . . 7 Val CA . 16750 3 26 . 1 1 22 22 VAL N N 15 122.44 . . 1 . . . . 7 Val N . 16750 3 27 . 1 1 23 23 THR H H 1 8.33 . . 1 . . . . 8 Thr H . 16750 3 28 . 1 1 23 23 THR C C 13 174.43 . . 1 . . . . 8 Thr C . 16750 3 29 . 1 1 23 23 THR CA C 13 61.71 . . 1 . . . . 8 Thr CA . 16750 3 30 . 1 1 23 23 THR N N 15 118.49 . . 1 . . . . 8 Thr N . 16750 3 31 . 1 1 24 24 THR H H 1 8.12 . . 1 . . . . 9 Thr H . 16750 3 32 . 1 1 24 24 THR C C 13 173.93 . . 1 . . . . 9 Thr C . 16750 3 33 . 1 1 24 24 THR CA C 13 61.74 . . 1 . . . . 9 Thr CA . 16750 3 34 . 1 1 24 24 THR N N 15 116.74 . . 1 . . . . 9 Thr N . 16750 3 35 . 1 1 25 25 PHE H H 1 8.32 . . 1 . . . . 10 Phe H . 16750 3 36 . 1 1 25 25 PHE C C 13 175.28 . . 1 . . . . 10 Phe C . 16750 3 37 . 1 1 25 25 PHE CA C 13 57.98 . . 1 . . . . 10 Phe CA . 16750 3 38 . 1 1 25 25 PHE N N 15 123.29 . . 1 . . . . 10 Phe N . 16750 3 39 . 1 1 26 26 VAL H H 1 8.02 . . 1 . . . . 11 Val H . 16750 3 40 . 1 1 26 26 VAL C C 13 175.14 . . 1 . . . . 11 Val C . 16750 3 41 . 1 1 26 26 VAL CA C 13 62.17 . . 1 . . . . 11 Val CA . 16750 3 42 . 1 1 26 26 VAL N N 15 123.58 . . 1 . . . . 11 Val N . 16750 3 43 . 1 1 27 27 ALA H H 1 8.21 . . 1 . . . . 12 Ala H . 16750 3 44 . 1 1 27 27 ALA C C 13 177.36 . . 1 . . . . 12 Ala C . 16750 3 45 . 1 1 27 27 ALA CA C 13 52.46 . . 1 . . . . 12 Ala CA . 16750 3 46 . 1 1 27 27 ALA N N 15 116.25 . . 1 . . . . 12 Ala N . 16750 3 47 . 1 1 28 28 LEU H H 1 8.09 . . 1 . . . . 13 Leu H . 16750 3 48 . 1 1 28 28 LEU C C 13 177.06 . . 1 . . . . 13 Leu C . 16750 3 49 . 1 1 28 28 LEU CA C 13 55.43 . . 1 . . . . 13 Leu CA . 16750 3 50 . 1 1 28 28 LEU N N 15 121.58 . . 1 . . . . 13 Leu N . 16750 3 51 . 1 1 29 29 TYR H H 1 8.05 . . 1 . . . . 14 Tyr H . 16750 3 52 . 1 1 29 29 TYR C C 13 175.59 . . 1 . . . . 14 Tyr C . 16750 3 53 . 1 1 29 29 TYR CA C 13 57.75 . . 1 . . . . 14 Tyr CA . 16750 3 54 . 1 1 29 29 TYR N N 15 119.9 . . 1 . . . . 14 Tyr N . 16750 3 55 . 1 1 30 30 ASP H H 1 8.3 . . 1 . . . . 15 Asp H . 16750 3 56 . 1 1 30 30 ASP C C 13 174.78 . . 1 . . . . 15 Asp C . 16750 3 57 . 1 1 30 30 ASP CA C 13 52.9 . . 1 . . . . 15 Asp CA . 16750 3 58 . 1 1 30 30 ASP N N 15 120.58 . . 1 . . . . 15 Asp N . 16750 3 59 . 1 1 31 31 TYR H H 1 8.01 . . 1 . . . . 16 Tyr H . 16750 3 60 . 1 1 31 31 TYR C C 13 173.76 . . 1 . . . . 16 Tyr C . 16750 3 61 . 1 1 31 31 TYR CA C 13 58.58 . . 1 . . . . 16 Tyr CA . 16750 3 62 . 1 1 31 31 TYR N N 15 120.9 . . 1 . . . . 16 Tyr N . 16750 3 63 . 1 1 32 32 GLU H H 1 8.14 . . 1 . . . . 17 Glu H . 16750 3 64 . 1 1 32 32 GLU C C 13 175.86 . . 1 . . . . 17 Glu C . 16750 3 65 . 1 1 32 32 GLU CA C 13 55.95 . . 1 . . . . 17 Glu CA . 16750 3 66 . 1 1 32 32 GLU N N 15 121.21 . . 1 . . . . 17 Glu N . 16750 3 67 . 1 1 33 33 SER H H 1 8.19 . . 1 . . . . 18 Ser H . 16750 3 68 . 1 1 33 33 SER C C 13 174.82 . . 1 . . . . 18 Ser C . 16750 3 69 . 1 1 33 33 SER CA C 13 58.57 . . 1 . . . . 18 Ser CA . 16750 3 70 . 1 1 33 33 SER N N 15 116.57 . . 1 . . . . 18 Ser N . 16750 3 71 . 1 1 34 34 ARG H H 1 8.39 . . 1 . . . . 19 Arg H . 16750 3 72 . 1 1 34 34 ARG C C 13 176.58 . . 1 . . . . 19 Arg C . 16750 3 73 . 1 1 34 34 ARG CA C 13 56.58 . . 1 . . . . 19 Arg CA . 16750 3 74 . 1 1 34 34 ARG N N 15 122.96 . . 1 . . . . 19 Arg N . 16750 3 75 . 1 1 35 35 THR H H 1 8.14 . . 1 . . . . 20 Thr H . 16750 3 76 . 1 1 35 35 THR C C 13 174.69 . . 1 . . . . 20 Thr C . 16750 3 77 . 1 1 35 35 THR CA C 13 62.18 . . 1 . . . . 20 Thr CA . 16750 3 78 . 1 1 35 35 THR N N 15 126.1 . . 1 . . . . 20 Thr N . 16750 3 79 . 1 1 36 36 GLU H H 1 8.35 . . 1 . . . . 21 Glu H . 16750 3 80 . 1 1 36 36 GLU C C 13 176.2 . . 1 . . . . 21 Glu C . 16750 3 81 . 1 1 36 36 GLU CA C 13 56.03 . . 1 . . . . 21 Glu CA . 16750 3 82 . 1 1 36 36 GLU N N 15 122.53 . . 1 . . . . 21 Glu N . 16750 3 83 . 1 1 37 37 THR H H 1 8.2 . . 1 . . . . 22 Thr H . 16750 3 84 . 1 1 37 37 THR C C 13 174.34 . . 1 . . . . 22 Thr C . 16750 3 85 . 1 1 37 37 THR CA C 13 62.18 . . 1 . . . . 22 Thr CA . 16750 3 86 . 1 1 37 37 THR N N 15 114.97 . . 1 . . . . 22 Thr N . 16750 3 87 . 1 1 38 38 ASP H H 1 8.48 . . 1 . . . . 23 Asp H . 16750 3 88 . 1 1 38 38 ASP C C 13 175.16 . . 1 . . . . 23 Asp C . 16750 3 89 . 1 1 38 38 ASP CA C 13 53.16 . . 1 . . . . 23 Asp CA . 16750 3 90 . 1 1 38 38 ASP N N 15 121.05 . . 1 . . . . 23 Asp N . 16750 3 91 . 1 1 39 39 LEU H H 1 8.2 . . 1 . . . . 24 Leu H . 16750 3 92 . 1 1 39 39 LEU C C 13 177.32 . . 1 . . . . 24 Leu C . 16750 3 93 . 1 1 39 39 LEU CA C 13 55.52 . . 1 . . . . 24 Leu CA . 16750 3 94 . 1 1 39 39 LEU N N 15 122.69 . . 1 . . . . 24 Leu N . 16750 3 95 . 1 1 40 40 SER H H 1 8.15 . . 1 . . . . 25 Ser H . 16750 3 96 . 1 1 40 40 SER C C 13 174.24 . . 1 . . . . 25 Ser C . 16750 3 97 . 1 1 40 40 SER CA C 13 58.47 . . 1 . . . . 25 Ser CA . 16750 3 98 . 1 1 40 40 SER N N 15 115.8 . . 1 . . . . 25 Ser N . 16750 3 99 . 1 1 41 41 PHE H H 1 8.13 . . 1 . . . . 26 Phe H . 16750 3 100 . 1 1 41 41 PHE C C 13 175.63 . . 1 . . . . 26 Phe C . 16750 3 101 . 1 1 41 41 PHE CA C 13 57.79 . . 1 . . . . 26 Phe CA . 16750 3 102 . 1 1 41 41 PHE N N 15 122.22 . . 1 . . . . 26 Phe N . 16750 3 103 . 1 1 42 42 LYS H H 1 8.14 . . 1 . . . . 27 Lys H . 16750 3 104 . 1 1 42 42 LYS C C 13 176.25 . . 1 . . . . 27 Lys C . 16750 3 105 . 1 1 42 42 LYS CA C 13 56.26 . . 1 . . . . 27 Lys CA . 16750 3 106 . 1 1 42 42 LYS N N 15 123.13 . . 1 . . . . 27 Lys N . 16750 3 107 . 1 1 43 43 LYS H H 1 8.34 . . 1 . . . . 28 Lys H . 16750 3 108 . 1 1 43 43 LYS C C 13 177.09 . . 1 . . . . 28 Lys C . 16750 3 109 . 1 1 43 43 LYS CA C 13 57.01 . . 1 . . . . 28 Lys CA . 16750 3 110 . 1 1 43 43 LYS N N 15 123 . . 1 . . . . 28 Lys N . 16750 3 111 . 1 1 44 44 GLY H H 1 8.49 . . 1 . . . . 29 Gly H . 16750 3 112 . 1 1 44 44 GLY C C 13 174.04 . . 1 . . . . 29 Gly C . 16750 3 113 . 1 1 44 44 GLY CA C 13 58.23 . . 1 . . . . 29 Gly CA . 16750 3 114 . 1 1 44 44 GLY N N 15 121.98 . . 1 . . . . 29 Gly N . 16750 3 115 . 1 1 45 45 GLU H H 1 8.13 . . 1 . . . . 30 Glu H . 16750 3 116 . 1 1 45 45 GLU C C 13 175.88 . . 1 . . . . 30 Glu C . 16750 3 117 . 1 1 45 45 GLU CA C 13 55.76 . . 1 . . . . 30 Glu CA . 16750 3 118 . 1 1 45 45 GLU N N 15 119.9 . . 1 . . . . 30 Glu N . 16750 3 119 . 1 1 46 46 ARG H H 1 8.49 . . 1 . . . . 31 Arg H . 16750 3 120 . 1 1 46 46 ARG C C 13 176.03 . . 1 . . . . 31 Arg C . 16750 3 121 . 1 1 46 46 ARG CA C 13 56.19 . . 1 . . . . 31 Arg CA . 16750 3 122 . 1 1 46 46 ARG N N 15 122.91 . . 1 . . . . 31 Arg N . 16750 3 123 . 1 1 47 47 LEU H H 1 8.35 . . 1 . . . . 32 Leu H . 16750 3 124 . 1 1 47 47 LEU C C 13 177.05 . . 1 . . . . 32 Leu C . 16750 3 125 . 1 1 47 47 LEU CA C 13 55.17 . . 1 . . . . 32 Leu CA . 16750 3 126 . 1 1 47 47 LEU N N 15 124.19 . . 1 . . . . 32 Leu N . 16750 3 127 . 1 1 48 48 GLN H H 1 8.48 . . 1 . . . . 33 Gln H . 16750 3 128 . 1 1 48 48 GLN C C 13 175.55 . . 1 . . . . 33 Gln C . 16750 3 129 . 1 1 48 48 GLN CA C 13 55.71 . . 1 . . . . 33 Gln CA . 16750 3 130 . 1 1 48 48 GLN N N 15 122.27 . . 1 . . . . 33 Gln N . 16750 3 131 . 1 1 49 49 ILE H H 1 8.27 . . 1 . . . . 34 Ile H . 16750 3 132 . 1 1 49 49 ILE C C 13 176.09 . . 1 . . . . 34 Ile C . 16750 3 133 . 1 1 49 49 ILE CA C 13 61.09 . . 1 . . . . 34 Ile CA . 16750 3 134 . 1 1 49 49 ILE N N 15 123.39 . . 1 . . . . 34 Ile N . 16750 3 135 . 1 1 50 50 VAL H H 1 8.27 . . 1 . . . . 35 Val H . 16750 3 136 . 1 1 50 50 VAL C C 13 175.58 . . 1 . . . . 35 Val C . 16750 3 137 . 1 1 50 50 VAL CA C 13 62.13 . . 1 . . . . 35 Val CA . 16750 3 138 . 1 1 50 50 VAL N N 15 124.75 . . 1 . . . . 35 Val N . 16750 3 139 . 1 1 51 51 ASN H H 1 8.52 . . 1 . . . . 36 Asn H . 16750 3 140 . 1 1 51 51 ASN C C 13 174.87 . . 1 . . . . 36 Asn C . 16750 3 141 . 1 1 51 51 ASN CA C 13 53.16 . . 1 . . . . 36 Asn CA . 16750 3 142 . 1 1 51 51 ASN N N 15 122.92 . . 1 . . . . 36 Asn N . 16750 3 143 . 1 1 52 52 ASN H H 1 8.49 . . 1 . . . . 37 Asn H . 16750 3 144 . 1 1 52 52 ASN C C 13 175.65 . . 1 . . . . 37 Asn C . 16750 3 145 . 1 1 52 52 ASN CA C 13 53.48 . . 1 . . . . 37 Asn CA . 16750 3 146 . 1 1 52 52 ASN N N 15 120.05 . . 1 . . . . 37 Asn N . 16750 3 147 . 1 1 53 53 THR H H 1 8.2 . . 1 . . . . 38 Thr H . 16750 3 148 . 1 1 53 53 THR C C 13 174.93 . . 1 . . . . 38 Thr C . 16750 3 149 . 1 1 53 53 THR CA C 13 62.27 . . 1 . . . . 38 Thr CA . 16750 3 150 . 1 1 53 53 THR N N 15 125.37 . . 1 . . . . 38 Thr N . 16750 3 151 . 1 1 54 54 GLU H H 1 8.29 . . 1 . . . . 39 Glu H . 16750 3 152 . 1 1 54 54 GLU C C 13 176.53 . . 1 . . . . 39 Glu C . 16750 3 153 . 1 1 54 54 GLU CA C 13 56.37 . . 1 . . . . 39 Glu CA . 16750 3 154 . 1 1 54 54 GLU N N 15 121.83 . . 1 . . . . 39 Glu N . 16750 3 155 . 1 1 55 55 GLY H H 1 8.31 . . 1 . . . . 40 Gly H . 16750 3 156 . 1 1 55 55 GLY C C 13 174.13 . . 1 . . . . 40 Gly C . 16750 3 157 . 1 1 55 55 GLY CA C 13 58.46 . . 1 . . . . 40 Gly CA . 16750 3 158 . 1 1 55 55 GLY N N 15 120.67 . . 1 . . . . 40 Gly N . 16750 3 159 . 1 1 56 56 ASP H H 1 8.23 . . 1 . . . . 41 Asp H . 16750 3 160 . 1 1 56 56 ASP C C 13 175.75 . . 1 . . . . 41 Asp C . 16750 3 161 . 1 1 56 56 ASP CA C 13 52.63 . . 1 . . . . 41 Asp CA . 16750 3 162 . 1 1 56 56 ASP N N 15 119.03 . . 1 . . . . 41 Asp N . 16750 3 163 . 1 1 57 57 TRP H H 1 7.91 . . 1 . . . . 42 Trp H . 16750 3 164 . 1 1 57 57 TRP C C 13 176.74 . . 1 . . . . 42 Trp C . 16750 3 165 . 1 1 57 57 TRP CA C 13 58.9 . . 1 . . . . 42 Trp CA . 16750 3 166 . 1 1 57 57 TRP N N 15 122.49 . . 1 . . . . 42 Trp N . 16750 3 167 . 1 1 58 58 TRP H H 1 7.27 . . 1 . . . . 43 Trp H . 16750 3 168 . 1 1 58 58 TRP C C 13 176.21 . . 1 . . . . 43 Trp C . 16750 3 169 . 1 1 58 58 TRP CA C 13 58.42 . . 1 . . . . 43 Trp CA . 16750 3 170 . 1 1 58 58 TRP N N 15 119.65 . . 1 . . . . 43 Trp N . 16750 3 171 . 1 1 59 59 LEU H H 1 7.3 . . 1 . . . . 44 Leu H . 16750 3 172 . 1 1 59 59 LEU C C 13 177.15 . . 1 . . . . 44 Leu C . 16750 3 173 . 1 1 59 59 LEU CA C 13 55.31 . . 1 . . . . 44 Leu CA . 16750 3 174 . 1 1 59 59 LEU N N 15 121.84 . . 1 . . . . 44 Leu N . 16750 3 175 . 1 1 60 60 ALA H H 1 7.8 . . 1 . . . . 45 Ala H . 16750 3 176 . 1 1 60 60 ALA C C 13 177.58 . . 1 . . . . 45 Ala C . 16750 3 177 . 1 1 60 60 ALA CA C 13 52.87 . . 1 . . . . 45 Ala CA . 16750 3 178 . 1 1 60 60 ALA N N 15 122.75 . . 1 . . . . 45 Ala N . 16750 3 179 . 1 1 61 61 HIS H H 1 8.2 . . 1 . . . . 46 His H . 16750 3 180 . 1 1 61 61 HIS C C 13 174.32 . . 1 . . . . 46 His C . 16750 3 181 . 1 1 61 61 HIS CA C 13 55.42 . . 1 . . . . 46 His CA . 16750 3 182 . 1 1 61 61 HIS N N 15 116.63 . . 1 . . . . 46 His N . 16750 3 183 . 1 1 62 62 SER H H 1 8.24 . . 1 . . . . 47 Ser H . 16750 3 184 . 1 1 62 62 SER C C 13 174.52 . . 1 . . . . 47 Ser C . 16750 3 185 . 1 1 62 62 SER CA C 13 58.51 . . 1 . . . . 47 Ser CA . 16750 3 186 . 1 1 62 62 SER N N 15 116.43 . . 1 . . . . 47 Ser N . 16750 3 187 . 1 1 63 63 LEU H H 1 8.4 . . 1 . . . . 48 Leu H . 16750 3 188 . 1 1 63 63 LEU C C 13 177.7 . . 1 . . . . 48 Leu C . 16750 3 189 . 1 1 63 63 LEU CA C 13 55.48 . . 1 . . . . 48 Leu CA . 16750 3 190 . 1 1 63 63 LEU N N 15 123.99 . . 1 . . . . 48 Leu N . 16750 3 191 . 1 1 64 64 THR H H 1 8.22 . . 1 . . . . 49 Thr H . 16750 3 192 . 1 1 64 64 THR C C 13 174.86 . . 1 . . . . 49 Thr C . 16750 3 193 . 1 1 64 64 THR CA C 13 61.72 . . 1 . . . . 49 Thr CA . 16750 3 194 . 1 1 64 64 THR N N 15 125.71 . . 1 . . . . 49 Thr N . 16750 3 195 . 1 1 65 65 THR H H 1 8.1 . . 1 . . . . 50 Thr H . 16750 3 196 . 1 1 65 65 THR C C 13 175.04 . . 1 . . . . 50 Thr C . 16750 3 197 . 1 1 65 65 THR CA C 13 62.1 . . 1 . . . . 50 Thr CA . 16750 3 198 . 1 1 65 65 THR N N 15 115.32 . . 1 . . . . 50 Thr N . 16750 3 199 . 1 1 66 66 GLY H H 1 8.4 . . 1 . . . . 51 Gly H . 16750 3 200 . 1 1 66 66 GLY C C 13 174.13 . . 1 . . . . 51 Gly C . 16750 3 201 . 1 1 66 66 GLY CA C 13 58.21 . . 1 . . . . 51 Gly CA . 16750 3 202 . 1 1 66 66 GLY N N 15 122.64 . . 1 . . . . 51 Gly N . 16750 3 203 . 1 1 67 67 GLN H H 1 8.27 . . 1 . . . . 52 Gln H . 16750 3 204 . 1 1 67 67 GLN C C 13 176.35 . . 1 . . . . 52 Gln C . 16750 3 205 . 1 1 67 67 GLN CA C 13 56.01 . . 1 . . . . 52 Gln CA . 16750 3 206 . 1 1 67 67 GLN N N 15 119.92 . . 1 . . . . 52 Gln N . 16750 3 207 . 1 1 68 68 THR H H 1 8.29 . . 1 . . . . 53 Thr H . 16750 3 208 . 1 1 68 68 THR C C 13 175.05 . . 1 . . . . 53 Thr C . 16750 3 209 . 1 1 68 68 THR CA C 13 62.15 . . 1 . . . . 53 Thr CA . 16750 3 210 . 1 1 68 68 THR N N 15 115.03 . . 1 . . . . 53 Thr N . 16750 3 211 . 1 1 69 69 GLY H H 1 8.4 . . 1 . . . . 54 Gly H . 16750 3 212 . 1 1 69 69 GLY C C 13 178.89 . . 1 . . . . 54 Gly C . 16750 3 213 . 1 1 69 69 GLY CA C 13 58.22 . . 1 . . . . 54 Gly CA . 16750 3 214 . 1 1 69 69 GLY N N 15 122.49 . . 1 . . . . 54 Gly N . 16750 3 215 . 1 1 70 70 TYR H H 1 8.08 . . 1 . . . . 55 Tyr H . 16750 3 216 . 1 1 70 70 TYR C C 13 175 . . 1 . . . . 55 Tyr C . 16750 3 217 . 1 1 70 70 TYR CA C 13 58.06 . . 1 . . . . 55 Tyr CA . 16750 3 218 . 1 1 70 70 TYR N N 15 120.76 . . 1 . . . . 55 Tyr N . 16750 3 219 . 1 1 71 71 ILE H H 1 8.02 . . 1 . . . . 56 Ile H . 16750 3 220 . 1 1 71 71 ILE CA C 13 58.01 . . 1 . . . . 56 Ile CA . 16750 3 221 . 1 1 71 71 ILE N N 15 115.15 . . 1 . . . . 56 Ile N . 16750 3 222 . 1 1 72 72 PRO C C 13 176.87 . . 1 . . . . 57 Pro C . 16750 3 223 . 1 1 72 72 PRO CA C 13 58.38 . . 1 . . . . 57 Pro CA . 16750 3 224 . 1 1 73 73 SER H H 1 8.38 . . 1 . . . . 58 Ser H . 16750 3 225 . 1 1 73 73 SER C C 13 174.46 . . 1 . . . . 58 Ser C . 16750 3 226 . 1 1 73 73 SER CA C 13 63.07 . . 1 . . . . 58 Ser CA . 16750 3 227 . 1 1 73 73 SER N N 15 115.8 . . 1 . . . . 58 Ser N . 16750 3 228 . 1 1 74 74 ASN H H 1 8.39 . . 1 . . . . 59 Asn H . 16750 3 229 . 1 1 74 74 ASN C C 13 174.59 . . 1 . . . . 59 Asn C . 16750 3 230 . 1 1 74 74 ASN CA C 13 53.19 . . 1 . . . . 59 Asn CA . 16750 3 231 . 1 1 74 74 ASN N N 15 120.11 . . 1 . . . . 59 Asn N . 16750 3 232 . 1 1 75 75 TYR H H 1 8.07 . . 1 . . . . 60 Tyr H . 16750 3 233 . 1 1 75 75 TYR C C 13 175.01 . . 1 . . . . 60 Tyr C . 16750 3 234 . 1 1 75 75 TYR CA C 13 58.47 . . 1 . . . . 60 Tyr CA . 16750 3 235 . 1 1 75 75 TYR N N 15 121.14 . . 1 . . . . 60 Tyr N . 16750 3 236 . 1 1 76 76 VAL H H 1 7.82 . . 1 . . . . 61 Val H . 16750 3 237 . 1 1 76 76 VAL C C 13 174.64 . . 1 . . . . 61 Val C . 16750 3 238 . 1 1 76 76 VAL CA C 13 61.46 . . 1 . . . . 61 Val CA . 16750 3 239 . 1 1 76 76 VAL N N 15 125.55 . . 1 . . . . 61 Val N . 16750 3 240 . 1 1 77 77 ALA H H 1 8.28 . . 1 . . . . 62 Ala H . 16750 3 241 . 1 1 77 77 ALA CA C 13 63.56 . . 1 . . . . 62 Ala CA . 16750 3 242 . 1 1 77 77 ALA N N 15 118.21 . . 1 . . . . 62 Ala N . 16750 3 243 . 1 1 78 78 PRO C C 13 176.89 . . 1 . . . . 63 Pro C . 16750 3 244 . 1 1 78 78 PRO CA C 13 63.07 . . 1 . . . . 63 Pro CA . 16750 3 245 . 1 1 79 79 SER H H 1 8.4 . . 1 . . . . 64 Ser H . 16750 3 246 . 1 1 79 79 SER C C 13 174.12 . . 1 . . . . 64 Ser C . 16750 3 247 . 1 1 79 79 SER CA C 13 58.71 . . 1 . . . . 64 Ser CA . 16750 3 248 . 1 1 79 79 SER N N 15 115.91 . . 1 . . . . 64 Ser N . 16750 3 249 . 1 1 80 80 ASN H H 1 8.33 . . 1 . . . . 65 Asn H . 16750 3 250 . 1 1 80 80 ASN CA C 13 52.12 . . 1 . . . . 65 Asn CA . 16750 3 251 . 1 1 80 80 ASN N N 15 120.91 . . 1 . . . . 65 Asn N . 16750 3 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_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 16750 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 10 '2D 1H-15N HSQC' . . . 16750 4 11 '3D HNCO' . . . 16750 4 12 '3D HNCA' . . . 16750 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 16 16 PRO C C 13 175.88 . . 1 . . . . 1 Pro C . 16750 4 2 . 1 1 16 16 PRO CA C 13 63.16 . . 1 . . . . 1 Pro CA . 16750 4 3 . 1 1 17 17 ARG H H 1 8.52 . . 1 . . . . 2 Arg H . 16750 4 4 . 1 1 17 17 ARG C C 13 176.91 . . 1 . . . . 2 Arg C . 16750 4 5 . 1 1 17 17 ARG CA C 13 56.61 . . 1 . . . . 2 Arg CA . 16750 4 6 . 1 1 17 17 ARG N N 15 122.32 . . 1 . . . . 2 Arg N . 16750 4 7 . 1 1 18 18 GLY H H 1 8.49 . . 1 . . . . 3 Gly H . 16750 4 8 . 1 1 18 18 GLY C C 13 174.06 . . 1 . . . . 3 Gly C . 16750 4 9 . 1 1 18 18 GLY CA C 13 58.29 . . 1 . . . . 3 Gly CA . 16750 4 10 . 1 1 18 18 GLY N N 15 122.01 . . 1 . . . . 3 Gly N . 16750 4 11 . 1 1 19 19 SER H H 1 8.22 . . 1 . . . . 4 Ser H . 16750 4 12 . 1 1 19 19 SER C C 13 174.5 . . 1 . . . . 4 Ser C . 16750 4 13 . 1 1 19 19 SER CA C 13 58.45 . . 1 . . . . 4 Ser CA . 16750 4 14 . 1 1 19 19 SER N N 15 115.44 . . 1 . . . . 4 Ser N . 16750 4 15 . 1 1 20 20 HIS H H 1 8.67 . . 1 . . . . 5 His H . 16750 4 16 . 1 1 20 20 HIS C C 13 174.15 . . 1 . . . . 5 His C . 16750 4 17 . 1 1 20 20 HIS CA C 13 55.33 . . 1 . . . . 5 His CA . 16750 4 18 . 1 1 20 20 HIS N N 15 120.5 . . 1 . . . . 5 His N . 16750 4 19 . 1 1 21 21 MET H H 1 8.48 . . 1 . . . . 6 Met H . 16750 4 20 . 1 1 21 21 MET C C 13 175.94 . . 1 . . . . 6 Met C . 16750 4 21 . 1 1 21 21 MET CA C 13 55.74 . . 1 . . . . 6 Met CA . 16750 4 22 . 1 1 21 21 MET N N 15 122.39 . . 1 . . . . 6 Met N . 16750 4 23 . 1 1 22 22 VAL H H 1 8.37 . . 1 . . . . 7 Val H . 16750 4 24 . 1 1 22 22 VAL C C 13 176.26 . . 1 . . . . 7 Val C . 16750 4 25 . 1 1 22 22 VAL CA C 13 62.33 . . 1 . . . . 7 Val CA . 16750 4 26 . 1 1 22 22 VAL N N 15 122.4 . . 1 . . . . 7 Val N . 16750 4 27 . 1 1 23 23 THR H H 1 8.33 . . 1 . . . . 8 Thr H . 16750 4 28 . 1 1 23 23 THR C C 13 174.44 . . 1 . . . . 8 Thr C . 16750 4 29 . 1 1 23 23 THR CA C 13 61.7 . . 1 . . . . 8 Thr CA . 16750 4 30 . 1 1 23 23 THR N N 15 118.41 . . 1 . . . . 8 Thr N . 16750 4 31 . 1 1 24 24 THR H H 1 8.13 . . 1 . . . . 9 Thr H . 16750 4 32 . 1 1 24 24 THR C C 13 173.93 . . 1 . . . . 9 Thr C . 16750 4 33 . 1 1 24 24 THR CA C 13 61.73 . . 1 . . . . 9 Thr CA . 16750 4 34 . 1 1 24 24 THR N N 15 116.66 . . 1 . . . . 9 Thr N . 16750 4 35 . 1 1 25 25 PHE H H 1 8.32 . . 1 . . . . 10 Phe H . 16750 4 36 . 1 1 25 25 PHE C C 13 175.27 . . 1 . . . . 10 Phe C . 16750 4 37 . 1 1 25 25 PHE CA C 13 57.96 . . 1 . . . . 10 Phe CA . 16750 4 38 . 1 1 25 25 PHE N N 15 123.26 . . 1 . . . . 10 Phe N . 16750 4 39 . 1 1 26 26 VAL H H 1 8.03 . . 1 . . . . 11 Val H . 16750 4 40 . 1 1 26 26 VAL C C 13 175.14 . . 1 . . . . 11 Val C . 16750 4 41 . 1 1 26 26 VAL CA C 13 62.13 . . 1 . . . . 11 Val CA . 16750 4 42 . 1 1 26 26 VAL N N 15 123.58 . . 1 . . . . 11 Val N . 16750 4 43 . 1 1 27 27 ALA H H 1 8.22 . . 1 . . . . 12 Ala H . 16750 4 44 . 1 1 27 27 ALA C C 13 177.33 . . 1 . . . . 12 Ala C . 16750 4 45 . 1 1 27 27 ALA CA C 13 52.43 . . 1 . . . . 12 Ala CA . 16750 4 46 . 1 1 27 27 ALA N N 15 116.33 . . 1 . . . . 12 Ala N . 16750 4 47 . 1 1 28 28 LEU H H 1 8.11 . . 1 . . . . 13 Leu H . 16750 4 48 . 1 1 28 28 LEU C C 13 177.05 . . 1 . . . . 13 Leu C . 16750 4 49 . 1 1 28 28 LEU CA C 13 55.4 . . 1 . . . . 13 Leu CA . 16750 4 50 . 1 1 28 28 LEU N N 15 121.68 . . 1 . . . . 13 Leu N . 16750 4 51 . 1 1 29 29 TYR H H 1 8.07 . . 1 . . . . 14 Tyr H . 16750 4 52 . 1 1 29 29 TYR C C 13 175.58 . . 1 . . . . 14 Tyr C . 16750 4 53 . 1 1 29 29 TYR CA C 13 57.72 . . 1 . . . . 14 Tyr CA . 16750 4 54 . 1 1 29 29 TYR N N 15 119.93 . . 1 . . . . 14 Tyr N . 16750 4 55 . 1 1 30 30 ASP H H 1 8.32 . . 1 . . . . 15 Asp H . 16750 4 56 . 1 1 30 30 ASP C C 13 174.76 . . 1 . . . . 15 Asp C . 16750 4 57 . 1 1 30 30 ASP CA C 13 52.87 . . 1 . . . . 15 Asp CA . 16750 4 58 . 1 1 30 30 ASP N N 15 120.6 . . 1 . . . . 15 Asp N . 16750 4 59 . 1 1 31 31 TYR H H 1 8.03 . . 1 . . . . 16 Tyr H . 16750 4 60 . 1 1 31 31 TYR C C 13 173.76 . . 1 . . . . 16 Tyr C . 16750 4 61 . 1 1 31 31 TYR CA C 13 58.54 . . 1 . . . . 16 Tyr CA . 16750 4 62 . 1 1 31 31 TYR N N 15 120.93 . . 1 . . . . 16 Tyr N . 16750 4 63 . 1 1 32 32 GLU H H 1 8.15 . . 1 . . . . 17 Glu H . 16750 4 64 . 1 1 32 32 GLU C C 13 175.81 . . 1 . . . . 17 Glu C . 16750 4 65 . 1 1 32 32 GLU CA C 13 55.9 . . 1 . . . . 17 Glu CA . 16750 4 66 . 1 1 32 32 GLU N N 15 121.27 . . 1 . . . . 17 Glu N . 16750 4 67 . 1 1 33 33 SER H H 1 8.21 . . 1 . . . . 18 Ser H . 16750 4 68 . 1 1 33 33 SER C C 13 174.78 . . 1 . . . . 18 Ser C . 16750 4 69 . 1 1 33 33 SER CA C 13 58.58 . . 1 . . . . 18 Ser CA . 16750 4 70 . 1 1 33 33 SER N N 15 116.7 . . 1 . . . . 18 Ser N . 16750 4 71 . 1 1 34 34 ARG H H 1 8.41 . . 1 . . . . 19 Arg H . 16750 4 72 . 1 1 34 34 ARG C C 13 176.56 . . 1 . . . . 19 Arg C . 16750 4 73 . 1 1 34 34 ARG CA C 13 56.57 . . 1 . . . . 19 Arg CA . 16750 4 74 . 1 1 34 34 ARG N N 15 123.02 . . 1 . . . . 19 Arg N . 16750 4 75 . 1 1 35 35 THR H H 1 8.16 . . 1 . . . . 20 Thr H . 16750 4 76 . 1 1 35 35 THR C C 13 174.69 . . 1 . . . . 20 Thr C . 16750 4 77 . 1 1 35 35 THR CA C 13 62.15 . . 1 . . . . 20 Thr CA . 16750 4 78 . 1 1 35 35 THR N N 15 126.17 . . 1 . . . . 20 Thr N . 16750 4 79 . 1 1 36 36 GLU H H 1 8.36 . . 1 . . . . 21 Glu H . 16750 4 80 . 1 1 36 36 GLU C C 13 176.15 . . 1 . . . . 21 Glu C . 16750 4 81 . 1 1 36 36 GLU CA C 13 56 . . 1 . . . . 21 Glu CA . 16750 4 82 . 1 1 36 36 GLU N N 15 122.54 . . 1 . . . . 21 Glu N . 16750 4 83 . 1 1 37 37 THR H H 1 8.21 . . 1 . . . . 22 Thr H . 16750 4 84 . 1 1 37 37 THR C C 13 174.32 . . 1 . . . . 22 Thr C . 16750 4 85 . 1 1 37 37 THR CA C 13 62.11 . . 1 . . . . 22 Thr CA . 16750 4 86 . 1 1 37 37 THR N N 15 115 . . 1 . . . . 22 Thr N . 16750 4 87 . 1 1 38 38 ASP H H 1 8.5 . . 1 . . . . 23 Asp H . 16750 4 88 . 1 1 38 38 ASP C C 13 175.1 . . 1 . . . . 23 Asp C . 16750 4 89 . 1 1 38 38 ASP CA C 13 53.11 . . 1 . . . . 23 Asp CA . 16750 4 90 . 1 1 38 38 ASP N N 15 121.08 . . 1 . . . . 23 Asp N . 16750 4 91 . 1 1 39 39 LEU H H 1 8.2 . . 1 . . . . 24 Leu H . 16750 4 92 . 1 1 39 39 LEU C C 13 177.27 . . 1 . . . . 24 Leu C . 16750 4 93 . 1 1 39 39 LEU CA C 13 55.47 . . 1 . . . . 24 Leu CA . 16750 4 94 . 1 1 39 39 LEU N N 15 122.71 . . 1 . . . . 24 Leu N . 16750 4 95 . 1 1 40 40 SER H H 1 8.17 . . 1 . . . . 25 Ser H . 16750 4 96 . 1 1 40 40 SER C C 13 174.24 . . 1 . . . . 25 Ser C . 16750 4 97 . 1 1 40 40 SER CA C 13 58.44 . . 1 . . . . 25 Ser CA . 16750 4 98 . 1 1 40 40 SER N N 15 115.88 . . 1 . . . . 25 Ser N . 16750 4 99 . 1 1 41 41 PHE H H 1 8.15 . . 1 . . . . 26 Phe H . 16750 4 100 . 1 1 41 41 PHE C C 13 175.59 . . 1 . . . . 26 Phe C . 16750 4 101 . 1 1 41 41 PHE CA C 13 57.76 . . 1 . . . . 26 Phe CA . 16750 4 102 . 1 1 41 41 PHE N N 15 122.27 . . 1 . . . . 26 Phe N . 16750 4 103 . 1 1 42 42 LYS H H 1 8.18 . . 1 . . . . 27 Lys H . 16750 4 104 . 1 1 42 42 LYS C C 13 176.27 . . 1 . . . . 27 Lys C . 16750 4 105 . 1 1 42 42 LYS CA C 13 56.27 . . 1 . . . . 27 Lys CA . 16750 4 106 . 1 1 42 42 LYS N N 15 123.18 . . 1 . . . . 27 Lys N . 16750 4 107 . 1 1 43 43 LYS H H 1 8.35 . . 1 . . . . 28 Lys H . 16750 4 108 . 1 1 43 43 LYS C C 13 177.06 . . 1 . . . . 28 Lys C . 16750 4 109 . 1 1 43 43 LYS CA C 13 56.98 . . 1 . . . . 28 Lys CA . 16750 4 110 . 1 1 43 43 LYS N N 15 123.1 . . 1 . . . . 28 Lys N . 16750 4 111 . 1 1 44 44 GLY H H 1 8.48 . . 1 . . . . 29 Gly H . 16750 4 112 . 1 1 44 44 GLY C C 13 174 . . 1 . . . . 29 Gly C . 16750 4 113 . 1 1 44 44 GLY CA C 13 58.29 . . 1 . . . . 29 Gly CA . 16750 4 114 . 1 1 44 44 GLY N N 15 121.97 . . 1 . . . . 29 Gly N . 16750 4 115 . 1 1 45 45 GLU H H 1 8.15 . . 1 . . . . 30 Glu H . 16750 4 116 . 1 1 45 45 GLU C C 13 175.89 . . 1 . . . . 30 Glu C . 16750 4 117 . 1 1 45 45 GLU CA C 13 55.77 . . 1 . . . . 30 Glu CA . 16750 4 118 . 1 1 45 45 GLU N N 15 119.92 . . 1 . . . . 30 Glu N . 16750 4 119 . 1 1 46 46 ARG H H 1 8.5 . . 1 . . . . 31 Arg H . 16750 4 120 . 1 1 46 46 ARG C C 13 176.03 . . 1 . . . . 31 Arg C . 16750 4 121 . 1 1 46 46 ARG CA C 13 56.21 . . 1 . . . . 31 Arg CA . 16750 4 122 . 1 1 46 46 ARG N N 15 122.96 . . 1 . . . . 31 Arg N . 16750 4 123 . 1 1 47 47 LEU H H 1 8.36 . . 1 . . . . 32 Leu H . 16750 4 124 . 1 1 47 47 LEU C C 13 177.09 . . 1 . . . . 32 Leu C . 16750 4 125 . 1 1 47 47 LEU CA C 13 55.18 . . 1 . . . . 32 Leu CA . 16750 4 126 . 1 1 47 47 LEU N N 15 124.26 . . 1 . . . . 32 Leu N . 16750 4 127 . 1 1 48 48 GLN H H 1 8.51 . . 1 . . . . 33 Gln H . 16750 4 128 . 1 1 48 48 GLN C C 13 175.59 . . 1 . . . . 33 Gln C . 16750 4 129 . 1 1 48 48 GLN CA C 13 55.76 . . 1 . . . . 33 Gln CA . 16750 4 130 . 1 1 48 48 GLN N N 15 122.29 . . 1 . . . . 33 Gln N . 16750 4 131 . 1 1 49 49 ILE H H 1 8.27 . . 1 . . . . 34 Ile H . 16750 4 132 . 1 1 49 49 ILE C C 13 176.09 . . 1 . . . . 34 Ile C . 16750 4 133 . 1 1 49 49 ILE CA C 13 61.11 . . 1 . . . . 34 Ile CA . 16750 4 134 . 1 1 49 49 ILE N N 15 123.42 . . 1 . . . . 34 Ile N . 16750 4 135 . 1 1 50 50 VAL H H 1 8.27 . . 1 . . . . 35 Val H . 16750 4 136 . 1 1 50 50 VAL C C 13 175.59 . . 1 . . . . 35 Val C . 16750 4 137 . 1 1 50 50 VAL CA C 13 62.12 . . 1 . . . . 35 Val CA . 16750 4 138 . 1 1 50 50 VAL N N 15 124.72 . . 1 . . . . 35 Val N . 16750 4 139 . 1 1 51 51 ASN H H 1 8.53 . . 1 . . . . 36 Asn H . 16750 4 140 . 1 1 51 51 ASN C C 13 174.88 . . 1 . . . . 36 Asn C . 16750 4 141 . 1 1 51 51 ASN CA C 13 53.17 . . 1 . . . . 36 Asn CA . 16750 4 142 . 1 1 51 51 ASN N N 15 122.92 . . 1 . . . . 36 Asn N . 16750 4 143 . 1 1 52 52 ASN H H 1 8.5 . . 1 . . . . 37 Asn H . 16750 4 144 . 1 1 52 52 ASN C C 13 175.63 . . 1 . . . . 37 Asn C . 16750 4 145 . 1 1 52 52 ASN CA C 13 53.48 . . 1 . . . . 37 Asn CA . 16750 4 146 . 1 1 52 52 ASN N N 15 120.09 . . 1 . . . . 37 Asn N . 16750 4 147 . 1 1 53 53 THR H H 1 8.21 . . 1 . . . . 38 Thr H . 16750 4 148 . 1 1 53 53 THR C C 13 174.92 . . 1 . . . . 38 Thr C . 16750 4 149 . 1 1 53 53 THR CA C 13 62.18 . . 1 . . . . 38 Thr CA . 16750 4 150 . 1 1 53 53 THR N N 15 125.35 . . 1 . . . . 38 Thr N . 16750 4 151 . 1 1 54 54 GLU H H 1 8.29 . . 1 . . . . 39 Glu H . 16750 4 152 . 1 1 54 54 GLU C C 13 176.5 . . 1 . . . . 39 Glu C . 16750 4 153 . 1 1 54 54 GLU CA C 13 56.34 . . 1 . . . . 39 Glu CA . 16750 4 154 . 1 1 54 54 GLU N N 15 121.83 . . 1 . . . . 39 Glu N . 16750 4 155 . 1 1 55 55 GLY H H 1 8.31 . . 1 . . . . 40 Gly H . 16750 4 156 . 1 1 55 55 GLY C C 13 174.07 . . 1 . . . . 40 Gly C . 16750 4 157 . 1 1 55 55 GLY CA C 13 58.46 . . 1 . . . . 40 Gly CA . 16750 4 158 . 1 1 55 55 GLY N N 15 120.71 . . 1 . . . . 40 Gly N . 16750 4 159 . 1 1 56 56 ASP H H 1 8.24 . . 1 . . . . 41 Asp H . 16750 4 160 . 1 1 56 56 ASP C C 13 175.65 . . 1 . . . . 41 Asp C . 16750 4 161 . 1 1 56 56 ASP CA C 13 52.61 . . 1 . . . . 41 Asp CA . 16750 4 162 . 1 1 56 56 ASP N N 15 119.02 . . 1 . . . . 41 Asp N . 16750 4 163 . 1 1 57 57 TRP H H 1 7.92 . . 1 . . . . 42 Trp H . 16750 4 164 . 1 1 57 57 TRP C C 13 176.64 . . 1 . . . . 42 Trp C . 16750 4 165 . 1 1 57 57 TRP CA C 13 58.79 . . 1 . . . . 42 Trp CA . 16750 4 166 . 1 1 57 57 TRP N N 15 122.44 . . 1 . . . . 42 Trp N . 16750 4 167 . 1 1 58 58 TRP H H 1 7.29 . . 1 . . . . 43 Trp H . 16750 4 168 . 1 1 58 58 TRP C C 13 176.11 . . 1 . . . . 43 Trp C . 16750 4 169 . 1 1 58 58 TRP CA C 13 58.33 . . 1 . . . . 43 Trp CA . 16750 4 170 . 1 1 58 58 TRP N N 15 119.81 . . 1 . . . . 43 Trp N . 16750 4 171 . 1 1 59 59 LEU H H 1 7.33 . . 1 . . . . 44 Leu H . 16750 4 172 . 1 1 59 59 LEU C C 13 177.08 . . 1 . . . . 44 Leu C . 16750 4 173 . 1 1 59 59 LEU CA C 13 55.22 . . 1 . . . . 44 Leu CA . 16750 4 174 . 1 1 59 59 LEU N N 15 121.97 . . 1 . . . . 44 Leu N . 16750 4 175 . 1 1 60 60 ALA H H 1 7.83 . . 1 . . . . 45 Ala H . 16750 4 176 . 1 1 60 60 ALA C C 13 177.57 . . 1 . . . . 45 Ala C . 16750 4 177 . 1 1 60 60 ALA CA C 13 52.84 . . 1 . . . . 45 Ala CA . 16750 4 178 . 1 1 60 60 ALA N N 15 122.99 . . 1 . . . . 45 Ala N . 16750 4 179 . 1 1 61 61 HIS H H 1 8.24 . . 1 . . . . 46 His H . 16750 4 180 . 1 1 61 61 HIS C C 13 174.35 . . 1 . . . . 46 His C . 16750 4 181 . 1 1 61 61 HIS CA C 13 55.39 . . 1 . . . . 46 His CA . 16750 4 182 . 1 1 61 61 HIS N N 15 116.78 . . 1 . . . . 46 His N . 16750 4 183 . 1 1 62 62 SER H H 1 8.26 . . 1 . . . . 47 Ser H . 16750 4 184 . 1 1 62 62 SER C C 13 174.53 . . 1 . . . . 47 Ser C . 16750 4 185 . 1 1 62 62 SER CA C 13 58.5 . . 1 . . . . 47 Ser CA . 16750 4 186 . 1 1 62 62 SER N N 15 116.55 . . 1 . . . . 47 Ser N . 16750 4 187 . 1 1 63 63 LEU H H 1 8.42 . . 1 . . . . 48 Leu H . 16750 4 188 . 1 1 63 63 LEU C C 13 177.68 . . 1 . . . . 48 Leu C . 16750 4 189 . 1 1 63 63 LEU CA C 13 55.48 . . 1 . . . . 48 Leu CA . 16750 4 190 . 1 1 63 63 LEU N N 15 124.08 . . 1 . . . . 48 Leu N . 16750 4 191 . 1 1 64 64 THR H H 1 8.23 . . 1 . . . . 49 Thr H . 16750 4 192 . 1 1 64 64 THR C C 13 174.87 . . 1 . . . . 49 Thr C . 16750 4 193 . 1 1 64 64 THR CA C 13 61.71 . . 1 . . . . 49 Thr CA . 16750 4 194 . 1 1 64 64 THR N N 15 125.76 . . 1 . . . . 49 Thr N . 16750 4 195 . 1 1 65 65 THR H H 1 8.12 . . 1 . . . . 50 Thr H . 16750 4 196 . 1 1 65 65 THR C C 13 175.05 . . 1 . . . . 50 Thr C . 16750 4 197 . 1 1 65 65 THR CA C 13 62.06 . . 1 . . . . 50 Thr CA . 16750 4 198 . 1 1 65 65 THR N N 15 115.29 . . 1 . . . . 50 Thr N . 16750 4 199 . 1 1 66 66 GLY H H 1 8.39 . . 1 . . . . 51 Gly H . 16750 4 200 . 1 1 66 66 GLY C C 13 174.11 . . 1 . . . . 51 Gly C . 16750 4 201 . 1 1 66 66 GLY CA C 13 58.28 . . 1 . . . . 51 Gly CA . 16750 4 202 . 1 1 66 66 GLY N N 15 122.59 . . 1 . . . . 51 Gly N . 16750 4 203 . 1 1 67 67 GLN H H 1 8.28 . . 1 . . . . 52 Gln H . 16750 4 204 . 1 1 67 67 GLN C C 13 176.35 . . 1 . . . . 52 Gln C . 16750 4 205 . 1 1 67 67 GLN CA C 13 56.04 . . 1 . . . . 52 Gln CA . 16750 4 206 . 1 1 67 67 GLN N N 15 119.94 . . 1 . . . . 52 Gln N . 16750 4 207 . 1 1 68 68 THR H H 1 8.29 . . 1 . . . . 53 Thr H . 16750 4 208 . 1 1 68 68 THR C C 13 175.06 . . 1 . . . . 53 Thr C . 16750 4 209 . 1 1 68 68 THR CA C 13 62.11 . . 1 . . . . 53 Thr CA . 16750 4 210 . 1 1 68 68 THR N N 15 114.92 . . 1 . . . . 53 Thr N . 16750 4 211 . 1 1 69 69 GLY H H 1 8.39 . . 1 . . . . 54 Gly H . 16750 4 212 . 1 1 69 69 GLY C C 13 178.89 . . 1 . . . . 54 Gly C . 16750 4 213 . 1 1 69 69 GLY CA C 13 58.28 . . 1 . . . . 54 Gly CA . 16750 4 214 . 1 1 69 69 GLY N N 15 122.42 . . 1 . . . . 54 Gly N . 16750 4 215 . 1 1 70 70 TYR H H 1 8.09 . . 1 . . . . 55 Tyr H . 16750 4 216 . 1 1 70 70 TYR C C 13 175.01 . . 1 . . . . 55 Tyr C . 16750 4 217 . 1 1 70 70 TYR CA C 13 58.06 . . 1 . . . . 55 Tyr CA . 16750 4 218 . 1 1 70 70 TYR N N 15 120.81 . . 1 . . . . 55 Tyr N . 16750 4 219 . 1 1 71 71 ILE H H 1 8.04 . . 1 . . . . 56 Ile H . 16750 4 220 . 1 1 71 71 ILE CA C 13 58.03 . . 1 . . . . 56 Ile CA . 16750 4 221 . 1 1 71 71 ILE N N 15 115.1 . . 1 . . . . 56 Ile N . 16750 4 222 . 1 1 72 72 PRO C C 13 176.86 . . 1 . . . . 57 Pro C . 16750 4 223 . 1 1 72 72 PRO CA C 13 58.4 . . 1 . . . . 57 Pro CA . 16750 4 224 . 1 1 73 73 SER H H 1 8.4 . . 1 . . . . 58 Ser H . 16750 4 225 . 1 1 73 73 SER C C 13 174.48 . . 1 . . . . 58 Ser C . 16750 4 226 . 1 1 73 73 SER CA C 13 63.07 . . 1 . . . . 58 Ser CA . 16750 4 227 . 1 1 73 73 SER N N 15 115.87 . . 1 . . . . 58 Ser N . 16750 4 228 . 1 1 74 74 ASN H H 1 8.41 . . 1 . . . . 59 Asn H . 16750 4 229 . 1 1 74 74 ASN C C 13 174.61 . . 1 . . . . 59 Asn C . 16750 4 230 . 1 1 74 74 ASN CA C 13 53.2 . . 1 . . . . 59 Asn CA . 16750 4 231 . 1 1 74 74 ASN N N 15 120.21 . . 1 . . . . 59 Asn N . 16750 4 232 . 1 1 75 75 TYR H H 1 8.08 . . 1 . . . . 60 Tyr H . 16750 4 233 . 1 1 75 75 TYR C C 13 175.04 . . 1 . . . . 60 Tyr C . 16750 4 234 . 1 1 75 75 TYR CA C 13 58.45 . . 1 . . . . 60 Tyr CA . 16750 4 235 . 1 1 75 75 TYR N N 15 121.14 . . 1 . . . . 60 Tyr N . 16750 4 236 . 1 1 76 76 VAL H H 1 7.84 . . 1 . . . . 61 Val H . 16750 4 237 . 1 1 76 76 VAL C C 13 174.69 . . 1 . . . . 61 Val C . 16750 4 238 . 1 1 76 76 VAL CA C 13 61.49 . . 1 . . . . 61 Val CA . 16750 4 239 . 1 1 76 76 VAL N N 15 125.43 . . 1 . . . . 61 Val N . 16750 4 240 . 1 1 77 77 ALA H H 1 8.28 . . 1 . . . . 62 Ala H . 16750 4 241 . 1 1 77 77 ALA CA C 13 63.56 . . 1 . . . . 62 Ala CA . 16750 4 242 . 1 1 77 77 ALA N N 15 118.16 . . 1 . . . . 62 Ala N . 16750 4 243 . 1 1 78 78 PRO C C 13 176.83 . . 1 . . . . 63 Pro C . 16750 4 244 . 1 1 78 78 PRO CA C 13 63.07 . . 1 . . . . 63 Pro CA . 16750 4 245 . 1 1 79 79 SER H H 1 8.4 . . 1 . . . . 64 Ser H . 16750 4 246 . 1 1 79 79 SER C C 13 174.16 . . 1 . . . . 64 Ser C . 16750 4 247 . 1 1 79 79 SER CA C 13 58.68 . . 1 . . . . 64 Ser CA . 16750 4 248 . 1 1 79 79 SER N N 15 115.87 . . 1 . . . . 64 Ser N . 16750 4 249 . 1 1 80 80 ASN H H 1 8.33 . . 1 . . . . 65 Asn H . 16750 4 250 . 1 1 80 80 ASN CA C 13 52.09 . . 1 . . . . 65 Asn CA . 16750 4 251 . 1 1 80 80 ASN N N 15 120.77 . . 1 . . . . 65 Asn N . 16750 4 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_5 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_5 _Assigned_chem_shift_list.Entry_ID 16750 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 13 '2D 1H-15N HSQC' . . . 16750 5 14 '3D HNCO' . . . 16750 5 15 '3D HNCA' . . . 16750 5 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 16 16 PRO C C 13 176.87 . . 1 . . . . 1 Pro C . 16750 5 2 . 1 1 16 16 PRO CA C 13 63.18 . . 1 . . . . 1 Pro CA . 16750 5 3 . 1 1 17 17 ARG H H 1 8.54 . . 1 . . . . 2 Arg H . 16750 5 4 . 1 1 17 17 ARG C C 13 177.01 . . 1 . . . . 2 Arg C . 16750 5 5 . 1 1 17 17 ARG CA C 13 56.64 . . 1 . . . . 2 Arg CA . 16750 5 6 . 1 1 17 17 ARG N N 15 122.37 . . 1 . . . . 2 Arg N . 16750 5 7 . 1 1 18 18 GLY H H 1 8.49 . . 1 . . . . 3 Gly H . 16750 5 8 . 1 1 18 18 GLY C C 13 174.03 . . 1 . . . . 3 Gly C . 16750 5 9 . 1 1 18 18 GLY CA C 13 58.33 . . 1 . . . . 3 Gly CA . 16750 5 10 . 1 1 18 18 GLY N N 15 122.01 . . 1 . . . . 3 Gly N . 16750 5 11 . 1 1 19 19 SER H H 1 8.22 . . 1 . . . . 4 Ser H . 16750 5 12 . 1 1 19 19 SER C C 13 174.52 . . 1 . . . . 4 Ser C . 16750 5 13 . 1 1 19 19 SER CA C 13 58.46 . . 1 . . . . 4 Ser CA . 16750 5 14 . 1 1 19 19 SER N N 15 115.44 . . 1 . . . . 4 Ser N . 16750 5 15 . 1 1 20 20 HIS H H 1 8.69 . . 1 . . . . 5 His H . 16750 5 16 . 1 1 20 20 HIS C C 13 174.16 . . 1 . . . . 5 His C . 16750 5 17 . 1 1 20 20 HIS CA C 13 55.36 . . 1 . . . . 5 His CA . 16750 5 18 . 1 1 20 20 HIS N N 15 120.55 . . 1 . . . . 5 His N . 16750 5 19 . 1 1 21 21 MET H H 1 8.5 . . 1 . . . . 6 Met H . 16750 5 20 . 1 1 21 21 MET C C 13 175.92 . . 1 . . . . 6 Met C . 16750 5 21 . 1 1 21 21 MET CA C 13 55.79 . . 1 . . . . 6 Met CA . 16750 5 22 . 1 1 21 21 MET N N 15 122.45 . . 1 . . . . 6 Met N . 16750 5 23 . 1 1 22 22 VAL H H 1 8.39 . . 1 . . . . 7 Val H . 16750 5 24 . 1 1 22 22 VAL C C 13 176.25 . . 1 . . . . 7 Val C . 16750 5 25 . 1 1 22 22 VAL CA C 13 62.34 . . 1 . . . . 7 Val CA . 16750 5 26 . 1 1 22 22 VAL N N 15 122.41 . . 1 . . . . 7 Val N . 16750 5 27 . 1 1 23 23 THR H H 1 8.34 . . 1 . . . . 8 Thr H . 16750 5 28 . 1 1 23 23 THR C C 13 174.45 . . 1 . . . . 8 Thr C . 16750 5 29 . 1 1 23 23 THR CA C 13 61.69 . . 1 . . . . 8 Thr CA . 16750 5 30 . 1 1 23 23 THR N N 15 118.4 . . 1 . . . . 8 Thr N . 16750 5 31 . 1 1 24 24 THR H H 1 8.14 . . 1 . . . . 9 Thr H . 16750 5 32 . 1 1 24 24 THR C C 13 173.93 . . 1 . . . . 9 Thr C . 16750 5 33 . 1 1 24 24 THR CA C 13 61.73 . . 1 . . . . 9 Thr CA . 16750 5 34 . 1 1 24 24 THR N N 15 116.64 . . 1 . . . . 9 Thr N . 16750 5 35 . 1 1 25 25 PHE H H 1 8.33 . . 1 . . . . 10 Phe H . 16750 5 36 . 1 1 25 25 PHE C C 13 175.24 . . 1 . . . . 10 Phe C . 16750 5 37 . 1 1 25 25 PHE CA C 13 57.93 . . 1 . . . . 10 Phe CA . 16750 5 38 . 1 1 25 25 PHE N N 15 123.27 . . 1 . . . . 10 Phe N . 16750 5 39 . 1 1 26 26 VAL H H 1 8.06 . . 1 . . . . 11 Val H . 16750 5 40 . 1 1 26 26 VAL C C 13 175.13 . . 1 . . . . 11 Val C . 16750 5 41 . 1 1 26 26 VAL CA C 13 62.08 . . 1 . . . . 11 Val CA . 16750 5 42 . 1 1 26 26 VAL N N 15 123.63 . . 1 . . . . 11 Val N . 16750 5 43 . 1 1 27 27 ALA H H 1 8.23 . . 1 . . . . 12 Ala H . 16750 5 44 . 1 1 27 27 ALA C C 13 177.26 . . 1 . . . . 12 Ala C . 16750 5 45 . 1 1 27 27 ALA CA C 13 52.39 . . 1 . . . . 12 Ala CA . 16750 5 46 . 1 1 27 27 ALA N N 15 116.46 . . 1 . . . . 12 Ala N . 16750 5 47 . 1 1 28 28 LEU H H 1 8.13 . . 1 . . . . 13 Leu H . 16750 5 48 . 1 1 28 28 LEU C C 13 177.01 . . 1 . . . . 13 Leu C . 16750 5 49 . 1 1 28 28 LEU CA C 13 55.37 . . 1 . . . . 13 Leu CA . 16750 5 50 . 1 1 28 28 LEU N N 15 121.84 . . 1 . . . . 13 Leu N . 16750 5 51 . 1 1 29 29 TYR H H 1 8.1 . . 1 . . . . 14 Tyr H . 16750 5 52 . 1 1 29 29 TYR C C 13 175.56 . . 1 . . . . 14 Tyr C . 16750 5 53 . 1 1 29 29 TYR CA C 13 57.7 . . 1 . . . . 14 Tyr CA . 16750 5 54 . 1 1 29 29 TYR N N 15 120.04 . . 1 . . . . 14 Tyr N . 16750 5 55 . 1 1 30 30 ASP H H 1 8.35 . . 1 . . . . 15 Asp H . 16750 5 56 . 1 1 30 30 ASP C C 13 174.71 . . 1 . . . . 15 Asp C . 16750 5 57 . 1 1 30 30 ASP CA C 13 52.85 . . 1 . . . . 15 Asp CA . 16750 5 58 . 1 1 30 30 ASP N N 15 120.69 . . 1 . . . . 15 Asp N . 16750 5 59 . 1 1 31 31 TYR H H 1 8.05 . . 1 . . . . 16 Tyr H . 16750 5 60 . 1 1 31 31 TYR C C 13 173.71 . . 1 . . . . 16 Tyr C . 16750 5 61 . 1 1 31 31 TYR CA C 13 58.51 . . 1 . . . . 16 Tyr CA . 16750 5 62 . 1 1 31 31 TYR N N 15 121.01 . . 1 . . . . 16 Tyr N . 16750 5 63 . 1 1 32 32 GLU H H 1 8.17 . . 1 . . . . 17 Glu H . 16750 5 64 . 1 1 32 32 GLU C C 13 175.77 . . 1 . . . . 17 Glu C . 16750 5 65 . 1 1 32 32 GLU CA C 13 55.85 . . 1 . . . . 17 Glu CA . 16750 5 66 . 1 1 32 32 GLU N N 15 121.37 . . 1 . . . . 17 Glu N . 16750 5 67 . 1 1 33 33 SER H H 1 8.23 . . 1 . . . . 18 Ser H . 16750 5 68 . 1 1 33 33 SER C C 13 174.71 . . 1 . . . . 18 Ser C . 16750 5 69 . 1 1 33 33 SER CA C 13 58.55 . . 1 . . . . 18 Ser CA . 16750 5 70 . 1 1 33 33 SER N N 15 116.87 . . 1 . . . . 18 Ser N . 16750 5 71 . 1 1 34 34 ARG H H 1 8.44 . . 1 . . . . 19 Arg H . 16750 5 72 . 1 1 34 34 ARG C C 13 176.54 . . 1 . . . . 19 Arg C . 16750 5 73 . 1 1 34 34 ARG CA C 13 56.56 . . 1 . . . . 19 Arg CA . 16750 5 74 . 1 1 34 34 ARG N N 15 123.1 . . 1 . . . . 19 Arg N . 16750 5 75 . 1 1 35 35 THR H H 1 8.19 . . 1 . . . . 20 Thr H . 16750 5 76 . 1 1 35 35 THR C C 13 174.68 . . 1 . . . . 20 Thr C . 16750 5 77 . 1 1 35 35 THR CA C 13 62.12 . . 1 . . . . 20 Thr CA . 16750 5 78 . 1 1 35 35 THR N N 15 126.27 . . 1 . . . . 20 Thr N . 16750 5 79 . 1 1 36 36 GLU H H 1 8.38 . . 1 . . . . 21 Glu H . 16750 5 80 . 1 1 36 36 GLU C C 13 176.13 . . 1 . . . . 21 Glu C . 16750 5 81 . 1 1 36 36 GLU CA C 13 55.98 . . 1 . . . . 21 Glu CA . 16750 5 82 . 1 1 36 36 GLU N N 15 122.58 . . 1 . . . . 21 Glu N . 16750 5 83 . 1 1 37 37 THR H H 1 8.22 . . 1 . . . . 22 Thr H . 16750 5 84 . 1 1 37 37 THR C C 13 174.28 . . 1 . . . . 22 Thr C . 16750 5 85 . 1 1 37 37 THR CA C 13 62.05 . . 1 . . . . 22 Thr CA . 16750 5 86 . 1 1 37 37 THR N N 15 115.04 . . 1 . . . . 22 Thr N . 16750 5 87 . 1 1 38 38 ASP H H 1 8.51 . . 1 . . . . 23 Asp H . 16750 5 88 . 1 1 38 38 ASP C C 13 175.05 . . 1 . . . . 23 Asp C . 16750 5 89 . 1 1 38 38 ASP CA C 13 53.08 . . 1 . . . . 23 Asp CA . 16750 5 90 . 1 1 38 38 ASP N N 15 121.16 . . 1 . . . . 23 Asp N . 16750 5 91 . 1 1 39 39 LEU H H 1 8.21 . . 1 . . . . 24 Leu H . 16750 5 92 . 1 1 39 39 LEU C C 13 177.23 . . 1 . . . . 24 Leu C . 16750 5 93 . 1 1 39 39 LEU CA C 13 55.43 . . 1 . . . . 24 Leu CA . 16750 5 94 . 1 1 39 39 LEU N N 15 122.75 . . 1 . . . . 24 Leu N . 16750 5 95 . 1 1 40 40 SER H H 1 8.2 . . 1 . . . . 25 Ser H . 16750 5 96 . 1 1 40 40 SER C C 13 174.24 . . 1 . . . . 25 Ser C . 16750 5 97 . 1 1 40 40 SER CA C 13 58.4 . . 1 . . . . 25 Ser CA . 16750 5 98 . 1 1 40 40 SER N N 15 115.99 . . 1 . . . . 25 Ser N . 16750 5 99 . 1 1 41 41 PHE H H 1 8.18 . . 1 . . . . 26 Phe H . 16750 5 100 . 1 1 41 41 PHE C C 13 175.57 . . 1 . . . . 26 Phe C . 16750 5 101 . 1 1 41 41 PHE CA C 13 57.74 . . 1 . . . . 26 Phe CA . 16750 5 102 . 1 1 41 41 PHE N N 15 122.34 . . 1 . . . . 26 Phe N . 16750 5 103 . 1 1 42 42 LYS H H 1 8.22 . . 1 . . . . 27 Lys H . 16750 5 104 . 1 1 42 42 LYS C C 13 176.27 . . 1 . . . . 27 Lys C . 16750 5 105 . 1 1 42 42 LYS CA C 13 56.29 . . 1 . . . . 27 Lys CA . 16750 5 106 . 1 1 42 42 LYS N N 15 123.25 . . 1 . . . . 27 Lys N . 16750 5 107 . 1 1 43 43 LYS H H 1 8.38 . . 1 . . . . 28 Lys H . 16750 5 108 . 1 1 43 43 LYS C C 13 177.06 . . 1 . . . . 28 Lys C . 16750 5 109 . 1 1 43 43 LYS CA C 13 56.95 . . 1 . . . . 28 Lys CA . 16750 5 110 . 1 1 43 43 LYS N N 15 123.2 . . 1 . . . . 28 Lys N . 16750 5 111 . 1 1 44 44 GLY H H 1 8.48 . . 1 . . . . 29 Gly H . 16750 5 112 . 1 1 44 44 GLY C C 13 173.93 . . 1 . . . . 29 Gly C . 16750 5 113 . 1 1 44 44 GLY CA C 13 58.32 . . 1 . . . . 29 Gly CA . 16750 5 114 . 1 1 44 44 GLY N N 15 121.96 . . 1 . . . . 29 Gly N . 16750 5 115 . 1 1 45 45 GLU H H 1 8.17 . . 1 . . . . 30 Glu H . 16750 5 116 . 1 1 45 45 GLU C C 13 175.91 . . 1 . . . . 30 Glu C . 16750 5 117 . 1 1 45 45 GLU CA C 13 55.78 . . 1 . . . . 30 Glu CA . 16750 5 118 . 1 1 45 45 GLU N N 15 119.96 . . 1 . . . . 30 Glu N . 16750 5 119 . 1 1 46 46 ARG H H 1 8.51 . . 1 . . . . 31 Arg H . 16750 5 120 . 1 1 46 46 ARG C C 13 176.08 . . 1 . . . . 31 Arg C . 16750 5 121 . 1 1 46 46 ARG CA C 13 56.23 . . 1 . . . . 31 Arg CA . 16750 5 122 . 1 1 46 46 ARG N N 15 123.05 . . 1 . . . . 31 Arg N . 16750 5 123 . 1 1 47 47 LEU H H 1 8.39 . . 1 . . . . 32 Leu H . 16750 5 124 . 1 1 47 47 LEU C C 13 177.05 . . 1 . . . . 32 Leu C . 16750 5 125 . 1 1 47 47 LEU CA C 13 55.19 . . 1 . . . . 32 Leu CA . 16750 5 126 . 1 1 47 47 LEU N N 15 124.39 . . 1 . . . . 32 Leu N . 16750 5 127 . 1 1 48 48 GLN H H 1 8.53 . . 1 . . . . 33 Gln H . 16750 5 128 . 1 1 48 48 GLN C C 13 175.59 . . 1 . . . . 33 Gln C . 16750 5 129 . 1 1 48 48 GLN CA C 13 55.77 . . 1 . . . . 33 Gln CA . 16750 5 130 . 1 1 48 48 GLN N N 15 122.38 . . 1 . . . . 33 Gln N . 16750 5 131 . 1 1 49 49 ILE H H 1 8.3 . . 1 . . . . 34 Ile H . 16750 5 132 . 1 1 49 49 ILE C C 13 176.07 . . 1 . . . . 34 Ile C . 16750 5 133 . 1 1 49 49 ILE CA C 13 61.11 . . 1 . . . . 34 Ile CA . 16750 5 134 . 1 1 49 49 ILE N N 15 123.51 . . 1 . . . . 34 Ile N . 16750 5 135 . 1 1 50 50 VAL H H 1 8.29 . . 1 . . . . 35 Val H . 16750 5 136 . 1 1 50 50 VAL C C 13 175.58 . . 1 . . . . 35 Val C . 16750 5 137 . 1 1 50 50 VAL CA C 13 62.11 . . 1 . . . . 35 Val CA . 16750 5 138 . 1 1 50 50 VAL N N 15 124.74 . . 1 . . . . 35 Val N . 16750 5 139 . 1 1 51 51 ASN H H 1 8.54 . . 1 . . . . 36 Asn H . 16750 5 140 . 1 1 51 51 ASN C C 13 174.88 . . 1 . . . . 36 Asn C . 16750 5 141 . 1 1 51 51 ASN CA C 13 53.18 . . 1 . . . . 36 Asn CA . 16750 5 142 . 1 1 51 51 ASN N N 15 122.97 . . 1 . . . . 36 Asn N . 16750 5 143 . 1 1 52 52 ASN H H 1 8.51 . . 1 . . . . 37 Asn H . 16750 5 144 . 1 1 52 52 ASN C C 13 175.62 . . 1 . . . . 37 Asn C . 16750 5 145 . 1 1 52 52 ASN CA C 13 53.48 . . 1 . . . . 37 Asn CA . 16750 5 146 . 1 1 52 52 ASN N N 15 120.15 . . 1 . . . . 37 Asn N . 16750 5 147 . 1 1 53 53 THR H H 1 8.22 . . 1 . . . . 38 Thr H . 16750 5 148 . 1 1 53 53 THR C C 13 174.88 . . 1 . . . . 38 Thr C . 16750 5 149 . 1 1 53 53 THR CA C 13 62.15 . . 1 . . . . 38 Thr CA . 16750 5 150 . 1 1 53 53 THR N N 15 125.35 . . 1 . . . . 38 Thr N . 16750 5 151 . 1 1 54 54 GLU H H 1 8.3 . . 1 . . . . 39 Glu H . 16750 5 152 . 1 1 54 54 GLU C C 13 176.47 . . 1 . . . . 39 Glu C . 16750 5 153 . 1 1 54 54 GLU CA C 13 56.32 . . 1 . . . . 39 Glu CA . 16750 5 154 . 1 1 54 54 GLU N N 15 121.85 . . 1 . . . . 39 Glu N . 16750 5 155 . 1 1 55 55 GLY H H 1 8.3 . . 1 . . . . 40 Gly H . 16750 5 156 . 1 1 55 55 GLY C C 13 174 . . 1 . . . . 40 Gly C . 16750 5 157 . 1 1 55 55 GLY CA C 13 58.49 . . 1 . . . . 40 Gly CA . 16750 5 158 . 1 1 55 55 GLY N N 15 120.77 . . 1 . . . . 40 Gly N . 16750 5 159 . 1 1 56 56 ASP H H 1 8.25 . . 1 . . . . 41 Asp H . 16750 5 160 . 1 1 56 56 ASP C C 13 175.56 . . 1 . . . . 41 Asp C . 16750 5 161 . 1 1 56 56 ASP CA C 13 52.63 . . 1 . . . . 41 Asp CA . 16750 5 162 . 1 1 56 56 ASP N N 15 119.02 . . 1 . . . . 41 Asp N . 16750 5 163 . 1 1 57 57 TRP H H 1 7.93 . . 1 . . . . 42 Trp H . 16750 5 164 . 1 1 57 57 TRP C C 13 176.51 . . 1 . . . . 42 Trp C . 16750 5 165 . 1 1 57 57 TRP CA C 13 58.66 . . 1 . . . . 42 Trp CA . 16750 5 166 . 1 1 57 57 TRP N N 15 122.38 . . 1 . . . . 42 Trp N . 16750 5 167 . 1 1 58 58 TRP H H 1 7.33 . . 1 . . . . 43 Trp H . 16750 5 168 . 1 1 58 58 TRP C C 13 176.03 . . 1 . . . . 43 Trp C . 16750 5 169 . 1 1 58 58 TRP CA C 13 58.23 . . 1 . . . . 43 Trp CA . 16750 5 170 . 1 1 58 58 TRP N N 15 119.97 . . 1 . . . . 43 Trp N . 16750 5 171 . 1 1 59 59 LEU H H 1 7.38 . . 1 . . . . 44 Leu H . 16750 5 172 . 1 1 59 59 LEU C C 13 177 . . 1 . . . . 44 Leu C . 16750 5 173 . 1 1 59 59 LEU CA C 13 55.14 . . 1 . . . . 44 Leu CA . 16750 5 174 . 1 1 59 59 LEU N N 15 122.14 . . 1 . . . . 44 Leu N . 16750 5 175 . 1 1 60 60 ALA H H 1 7.88 . . 1 . . . . 45 Ala H . 16750 5 176 . 1 1 60 60 ALA C C 13 177.54 . . 1 . . . . 45 Ala C . 16750 5 177 . 1 1 60 60 ALA CA C 13 52.82 . . 1 . . . . 45 Ala CA . 16750 5 178 . 1 1 60 60 ALA N N 15 123.26 . . 1 . . . . 45 Ala N . 16750 5 179 . 1 1 61 61 HIS H H 1 8.28 . . 1 . . . . 46 His H . 16750 5 180 . 1 1 61 61 HIS C C 13 174.36 . . 1 . . . . 46 His C . 16750 5 181 . 1 1 61 61 HIS CA C 13 55.38 . . 1 . . . . 46 His CA . 16750 5 182 . 1 1 61 61 HIS N N 15 116.91 . . 1 . . . . 46 His N . 16750 5 183 . 1 1 62 62 SER H H 1 8.3 . . 1 . . . . 47 Ser H . 16750 5 184 . 1 1 62 62 SER C C 13 174.52 . . 1 . . . . 47 Ser C . 16750 5 185 . 1 1 62 62 SER CA C 13 58.5 . . 1 . . . . 47 Ser CA . 16750 5 186 . 1 1 62 62 SER N N 15 116.68 . . 1 . . . . 47 Ser N . 16750 5 187 . 1 1 63 63 LEU H H 1 8.44 . . 1 . . . . 48 Leu H . 16750 5 188 . 1 1 63 63 LEU C C 13 177.65 . . 1 . . . . 48 Leu C . 16750 5 189 . 1 1 63 63 LEU CA C 13 55.48 . . 1 . . . . 48 Leu CA . 16750 5 190 . 1 1 63 63 LEU N N 15 124.17 . . 1 . . . . 48 Leu N . 16750 5 191 . 1 1 64 64 THR H H 1 8.25 . . 1 . . . . 49 Thr H . 16750 5 192 . 1 1 64 64 THR C C 13 174.88 . . 1 . . . . 49 Thr C . 16750 5 193 . 1 1 64 64 THR CA C 13 61.69 . . 1 . . . . 49 Thr CA . 16750 5 194 . 1 1 64 64 THR N N 15 125.81 . . 1 . . . . 49 Thr N . 16750 5 195 . 1 1 65 65 THR H H 1 8.15 . . 1 . . . . 50 Thr H . 16750 5 196 . 1 1 65 65 THR C C 13 175.06 . . 1 . . . . 50 Thr C . 16750 5 197 . 1 1 65 65 THR CA C 13 62.03 . . 1 . . . . 50 Thr CA . 16750 5 198 . 1 1 65 65 THR N N 15 115.26 . . 1 . . . . 50 Thr N . 16750 5 199 . 1 1 66 66 GLY H H 1 8.39 . . 1 . . . . 51 Gly H . 16750 5 200 . 1 1 66 66 GLY C C 13 174.09 . . 1 . . . . 51 Gly C . 16750 5 201 . 1 1 66 66 GLY CA C 13 58.33 . . 1 . . . . 51 Gly CA . 16750 5 202 . 1 1 66 66 GLY N N 15 122.54 . . 1 . . . . 51 Gly N . 16750 5 203 . 1 1 67 67 GLN H H 1 8.29 . . 1 . . . . 52 Gln H . 16750 5 204 . 1 1 67 67 GLN C C 13 176.34 . . 1 . . . . 52 Gln C . 16750 5 205 . 1 1 67 67 GLN CA C 13 56.07 . . 1 . . . . 52 Gln CA . 16750 5 206 . 1 1 67 67 GLN N N 15 119.95 . . 1 . . . . 52 Gln N . 16750 5 207 . 1 1 68 68 THR H H 1 8.29 . . 1 . . . . 53 Thr H . 16750 5 208 . 1 1 68 68 THR C C 13 175.1 . . 1 . . . . 53 Thr C . 16750 5 209 . 1 1 68 68 THR CA C 13 62.07 . . 1 . . . . 53 Thr CA . 16750 5 210 . 1 1 68 68 THR N N 15 114.92 . . 1 . . . . 53 Thr N . 16750 5 211 . 1 1 69 69 GLY H H 1 8.4 . . 1 . . . . 54 Gly H . 16750 5 212 . 1 1 69 69 GLY C C 13 178.88 . . 1 . . . . 54 Gly C . 16750 5 213 . 1 1 69 69 GLY CA C 13 58.34 . . 1 . . . . 54 Gly CA . 16750 5 214 . 1 1 69 69 GLY N N 15 122.37 . . 1 . . . . 54 Gly N . 16750 5 215 . 1 1 70 70 TYR H H 1 8.11 . . 1 . . . . 55 Tyr H . 16750 5 216 . 1 1 70 70 TYR C C 13 175.02 . . 1 . . . . 55 Tyr C . 16750 5 217 . 1 1 70 70 TYR CA C 13 58.07 . . 1 . . . . 55 Tyr CA . 16750 5 218 . 1 1 70 70 TYR N N 15 120.86 . . 1 . . . . 55 Tyr N . 16750 5 219 . 1 1 71 71 ILE H H 1 8.07 . . 1 . . . . 56 Ile H . 16750 5 220 . 1 1 71 71 ILE CA C 13 58.06 . . 1 . . . . 56 Ile CA . 16750 5 221 . 1 1 71 71 ILE N N 15 115.06 . . 1 . . . . 56 Ile N . 16750 5 222 . 1 1 72 72 PRO C C 13 176.83 . . 1 . . . . 57 Pro C . 16750 5 223 . 1 1 72 72 PRO CA C 13 58.42 . . 1 . . . . 57 Pro CA . 16750 5 224 . 1 1 73 73 SER H H 1 8.41 . . 1 . . . . 58 Ser H . 16750 5 225 . 1 1 73 73 SER C C 13 174.49 . . 1 . . . . 58 Ser C . 16750 5 226 . 1 1 73 73 SER CA C 13 63.11 . . 1 . . . . 58 Ser CA . 16750 5 227 . 1 1 73 73 SER N N 15 115.89 . . 1 . . . . 58 Ser N . 16750 5 228 . 1 1 74 74 ASN H H 1 8.43 . . 1 . . . . 59 Asn H . 16750 5 229 . 1 1 74 74 ASN C C 13 174.66 . . 1 . . . . 59 Asn C . 16750 5 230 . 1 1 74 74 ASN CA C 13 53.21 . . 1 . . . . 59 Asn CA . 16750 5 231 . 1 1 74 74 ASN N N 15 120.31 . . 1 . . . . 59 Asn N . 16750 5 232 . 1 1 75 75 TYR H H 1 8.09 . . 1 . . . . 60 Tyr H . 16750 5 233 . 1 1 75 75 TYR C C 13 175.04 . . 1 . . . . 60 Tyr C . 16750 5 234 . 1 1 75 75 TYR CA C 13 58.44 . . 1 . . . . 60 Tyr CA . 16750 5 235 . 1 1 75 75 TYR N N 15 121.14 . . 1 . . . . 60 Tyr N . 16750 5 236 . 1 1 76 76 VAL H H 1 7.87 . . 1 . . . . 61 Val H . 16750 5 237 . 1 1 76 76 VAL C C 13 174.74 . . 1 . . . . 61 Val C . 16750 5 238 . 1 1 76 76 VAL CA C 13 61.51 . . 1 . . . . 61 Val CA . 16750 5 239 . 1 1 76 76 VAL N N 15 125.33 . . 1 . . . . 61 Val N . 16750 5 240 . 1 1 77 77 ALA H H 1 8.29 . . 1 . . . . 62 Ala H . 16750 5 241 . 1 1 77 77 ALA CA C 13 63.61 . . 1 . . . . 62 Ala CA . 16750 5 242 . 1 1 77 77 ALA N N 15 118.12 . . 1 . . . . 62 Ala N . 16750 5 243 . 1 1 78 78 PRO C C 13 176.83 . . 1 . . . . 63 Pro C . 16750 5 244 . 1 1 78 78 PRO CA C 13 63.1 . . 1 . . . . 63 Pro CA . 16750 5 245 . 1 1 79 79 SER H H 1 8.4 . . 1 . . . . 64 Ser H . 16750 5 246 . 1 1 79 79 SER C C 13 174.18 . . 1 . . . . 64 Ser C . 16750 5 247 . 1 1 79 79 SER CA C 13 58.68 . . 1 . . . . 64 Ser CA . 16750 5 248 . 1 1 79 79 SER N N 15 115.89 . . 1 . . . . 64 Ser N . 16750 5 249 . 1 1 80 80 ASN H H 1 8.34 . . 1 . . . . 65 Asn H . 16750 5 250 . 1 1 80 80 ASN CA C 13 52.11 . . 1 . . . . 65 Asn CA . 16750 5 251 . 1 1 80 80 ASN N N 15 120.73 . . 1 . . . . 65 Asn N . 16750 5 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_6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_6 _Assigned_chem_shift_list.Entry_ID 16750 _Assigned_chem_shift_list.ID 6 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 16 '2D 1H-15N HSQC' . . . 16750 6 17 '3D HNCO' . . . 16750 6 18 '3D HNCA' . . . 16750 6 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 16 16 PRO C C 13 176.85 . . 1 . . . . 1 Pro C . 16750 6 2 . 1 1 16 16 PRO CA C 13 63.19 . . 1 . . . . 1 Pro CA . 16750 6 3 . 1 1 17 17 ARG H H 1 8.53 . . 1 . . . . 2 Arg H . 16750 6 4 . 1 1 17 17 ARG C C 13 177 . . 1 . . . . 2 Arg C . 16750 6 5 . 1 1 17 17 ARG CA C 13 56.66 . . 1 . . . . 2 Arg CA . 16750 6 6 . 1 1 17 17 ARG N N 15 122.41 . . 1 . . . . 2 Arg N . 16750 6 7 . 1 1 18 18 GLY H H 1 8.5 . . 1 . . . . 3 Gly H . 16750 6 8 . 1 1 18 18 GLY C C 13 174.02 . . 1 . . . . 3 Gly C . 16750 6 9 . 1 1 18 18 GLY CA C 13 58.32 . . 1 . . . . 3 Gly CA . 16750 6 10 . 1 1 18 18 GLY N N 15 122 . . 1 . . . . 3 Gly N . 16750 6 11 . 1 1 19 19 SER H H 1 8.23 . . 1 . . . . 4 Ser H . 16750 6 12 . 1 1 19 19 SER C C 13 174.53 . . 1 . . . . 4 Ser C . 16750 6 13 . 1 1 19 19 SER CA C 13 58.45 . . 1 . . . . 4 Ser CA . 16750 6 14 . 1 1 19 19 SER N N 15 115.44 . . 1 . . . . 4 Ser N . 16750 6 15 . 1 1 20 20 HIS H H 1 8.7 . . 1 . . . . 5 His H . 16750 6 16 . 1 1 20 20 HIS C C 13 174.18 . . 1 . . . . 5 His C . 16750 6 17 . 1 1 20 20 HIS CA C 13 55.38 . . 1 . . . . 5 His CA . 16750 6 18 . 1 1 20 20 HIS N N 15 120.6 . . 1 . . . . 5 His N . 16750 6 19 . 1 1 21 21 MET H H 1 8.52 . . 1 . . . . 6 Met H . 16750 6 20 . 1 1 21 21 MET C C 13 175.92 . . 1 . . . . 6 Met C . 16750 6 21 . 1 1 21 21 MET CA C 13 55.81 . . 1 . . . . 6 Met CA . 16750 6 22 . 1 1 21 21 MET N N 15 122.51 . . 1 . . . . 6 Met N . 16750 6 23 . 1 1 22 22 VAL H H 1 8.41 . . 1 . . . . 7 Val H . 16750 6 24 . 1 1 22 22 VAL C C 13 176.25 . . 1 . . . . 7 Val C . 16750 6 25 . 1 1 22 22 VAL CA C 13 62.33 . . 1 . . . . 7 Val CA . 16750 6 26 . 1 1 22 22 VAL N N 15 122.45 . . 1 . . . . 7 Val N . 16750 6 27 . 1 1 23 23 THR H H 1 8.35 . . 1 . . . . 8 Thr H . 16750 6 28 . 1 1 23 23 THR C C 13 174.47 . . 1 . . . . 8 Thr C . 16750 6 29 . 1 1 23 23 THR CA C 13 61.68 . . 1 . . . . 8 Thr CA . 16750 6 30 . 1 1 23 23 THR N N 15 118.4 . . 1 . . . . 8 Thr N . 16750 6 31 . 1 1 24 24 THR H H 1 8.17 . . 1 . . . . 9 Thr H . 16750 6 32 . 1 1 24 24 THR C C 13 173.93 . . 1 . . . . 9 Thr C . 16750 6 33 . 1 1 24 24 THR CA C 13 61.72 . . 1 . . . . 9 Thr CA . 16750 6 34 . 1 1 24 24 THR N N 15 116.62 . . 1 . . . . 9 Thr N . 16750 6 35 . 1 1 25 25 PHE H H 1 8.34 . . 1 . . . . 10 Phe H . 16750 6 36 . 1 1 25 25 PHE C C 13 175.23 . . 1 . . . . 10 Phe C . 16750 6 37 . 1 1 25 25 PHE CA C 13 57.9 . . 1 . . . . 10 Phe CA . 16750 6 38 . 1 1 25 25 PHE N N 15 123.28 . . 1 . . . . 10 Phe N . 16750 6 39 . 1 1 26 26 VAL H H 1 8.1 . . 1 . . . . 11 Val H . 16750 6 40 . 1 1 26 26 VAL C C 13 175.13 . . 1 . . . . 11 Val C . 16750 6 41 . 1 1 26 26 VAL CA C 13 62.03 . . 1 . . . . 11 Val CA . 16750 6 42 . 1 1 26 26 VAL N N 15 123.68 . . 1 . . . . 11 Val N . 16750 6 43 . 1 1 27 27 ALA H H 1 8.24 . . 1 . . . . 12 Ala H . 16750 6 44 . 1 1 27 27 ALA C C 13 177.21 . . 1 . . . . 12 Ala C . 16750 6 45 . 1 1 27 27 ALA CA C 13 52.34 . . 1 . . . . 12 Ala CA . 16750 6 46 . 1 1 27 27 ALA N N 15 116.56 . . 1 . . . . 12 Ala N . 16750 6 47 . 1 1 28 28 LEU H H 1 8.14 . . 1 . . . . 13 Leu H . 16750 6 48 . 1 1 28 28 LEU C C 13 177 . . 1 . . . . 13 Leu C . 16750 6 49 . 1 1 28 28 LEU CA C 13 55.34 . . 1 . . . . 13 Leu CA . 16750 6 50 . 1 1 28 28 LEU N N 15 121.87 . . 1 . . . . 13 Leu N . 16750 6 51 . 1 1 29 29 TYR H H 1 8.14 . . 1 . . . . 14 Tyr H . 16750 6 52 . 1 1 29 29 TYR C C 13 175.56 . . 1 . . . . 14 Tyr C . 16750 6 53 . 1 1 29 29 TYR CA C 13 57.69 . . 1 . . . . 14 Tyr CA . 16750 6 54 . 1 1 29 29 TYR N N 15 120.16 . . 1 . . . . 14 Tyr N . 16750 6 55 . 1 1 30 30 ASP H H 1 8.39 . . 1 . . . . 15 Asp H . 16750 6 56 . 1 1 30 30 ASP C C 13 174.7 . . 1 . . . . 15 Asp C . 16750 6 57 . 1 1 30 30 ASP CA C 13 52.82 . . 1 . . . . 15 Asp CA . 16750 6 58 . 1 1 30 30 ASP N N 15 120.77 . . 1 . . . . 15 Asp N . 16750 6 59 . 1 1 31 31 TYR H H 1 8.07 . . 1 . . . . 16 Tyr H . 16750 6 60 . 1 1 31 31 TYR C C 13 173.69 . . 1 . . . . 16 Tyr C . 16750 6 61 . 1 1 31 31 TYR CA C 13 58.46 . . 1 . . . . 16 Tyr CA . 16750 6 62 . 1 1 31 31 TYR N N 15 121.09 . . 1 . . . . 16 Tyr N . 16750 6 63 . 1 1 32 32 GLU H H 1 8.2 . . 1 . . . . 17 Glu H . 16750 6 64 . 1 1 32 32 GLU C C 13 175.73 . . 1 . . . . 17 Glu C . 16750 6 65 . 1 1 32 32 GLU CA C 13 55.8 . . 1 . . . . 17 Glu CA . 16750 6 66 . 1 1 32 32 GLU N N 15 121.45 . . 1 . . . . 17 Glu N . 16750 6 67 . 1 1 33 33 SER H H 1 8.26 . . 1 . . . . 18 Ser H . 16750 6 68 . 1 1 33 33 SER C C 13 174.73 . . 1 . . . . 18 Ser C . 16750 6 69 . 1 1 33 33 SER CA C 13 58.53 . . 1 . . . . 18 Ser CA . 16750 6 70 . 1 1 33 33 SER N N 15 117 . . 1 . . . . 18 Ser N . 16750 6 71 . 1 1 34 34 ARG H H 1 8.47 . . 1 . . . . 19 Arg H . 16750 6 72 . 1 1 34 34 ARG C C 13 176.52 . . 1 . . . . 19 Arg C . 16750 6 73 . 1 1 34 34 ARG CA C 13 56.54 . . 1 . . . . 19 Arg CA . 16750 6 74 . 1 1 34 34 ARG N N 15 123.16 . . 1 . . . . 19 Arg N . 16750 6 75 . 1 1 35 35 THR H H 1 8.22 . . 1 . . . . 20 Thr H . 16750 6 76 . 1 1 35 35 THR C C 13 174.67 . . 1 . . . . 20 Thr C . 16750 6 77 . 1 1 35 35 THR CA C 13 62.09 . . 1 . . . . 20 Thr CA . 16750 6 78 . 1 1 35 35 THR N N 15 126.35 . . 1 . . . . 20 Thr N . 16750 6 79 . 1 1 36 36 GLU H H 1 8.41 . . 1 . . . . 21 Glu H . 16750 6 80 . 1 1 36 36 GLU C C 13 176.09 . . 1 . . . . 21 Glu C . 16750 6 81 . 1 1 36 36 GLU CA C 13 55.94 . . 1 . . . . 21 Glu CA . 16750 6 82 . 1 1 36 36 GLU N N 15 122.62 . . 1 . . . . 21 Glu N . 16750 6 83 . 1 1 37 37 THR H H 1 8.24 . . 1 . . . . 22 Thr H . 16750 6 84 . 1 1 37 37 THR C C 13 174.27 . . 1 . . . . 22 Thr C . 16750 6 85 . 1 1 37 37 THR CA C 13 62.02 . . 1 . . . . 22 Thr CA . 16750 6 86 . 1 1 37 37 THR N N 15 115.1 . . 1 . . . . 22 Thr N . 16750 6 87 . 1 1 38 38 ASP H H 1 8.54 . . 1 . . . . 23 Asp H . 16750 6 88 . 1 1 38 38 ASP C C 13 175.03 . . 1 . . . . 23 Asp C . 16750 6 89 . 1 1 38 38 ASP CA C 13 53.06 . . 1 . . . . 23 Asp CA . 16750 6 90 . 1 1 38 38 ASP N N 15 121.24 . . 1 . . . . 23 Asp N . 16750 6 91 . 1 1 39 39 LEU H H 1 8.23 . . 1 . . . . 24 Leu H . 16750 6 92 . 1 1 39 39 LEU C C 13 177.2 . . 1 . . . . 24 Leu C . 16750 6 93 . 1 1 39 39 LEU CA C 13 55.39 . . 1 . . . . 24 Leu CA . 16750 6 94 . 1 1 39 39 LEU N N 15 122.79 . . 1 . . . . 24 Leu N . 16750 6 95 . 1 1 40 40 SER H H 1 8.22 . . 1 . . . . 25 Ser H . 16750 6 96 . 1 1 40 40 SER C C 13 174.24 . . 1 . . . . 25 Ser C . 16750 6 97 . 1 1 40 40 SER CA C 13 58.36 . . 1 . . . . 25 Ser CA . 16750 6 98 . 1 1 40 40 SER N N 15 116.07 . . 1 . . . . 25 Ser N . 16750 6 99 . 1 1 41 41 PHE H H 1 8.21 . . 1 . . . . 26 Phe H . 16750 6 100 . 1 1 41 41 PHE C C 13 175.57 . . 1 . . . . 26 Phe C . 16750 6 101 . 1 1 41 41 PHE CA C 13 57.71 . . 1 . . . . 26 Phe CA . 16750 6 102 . 1 1 41 41 PHE N N 15 122.4 . . 1 . . . . 26 Phe N . 16750 6 103 . 1 1 42 42 LYS H H 1 8.26 . . 1 . . . . 27 Lys H . 16750 6 104 . 1 1 42 42 LYS C C 13 176.29 . . 1 . . . . 27 Lys C . 16750 6 105 . 1 1 42 42 LYS CA C 13 56.3 . . 1 . . . . 27 Lys CA . 16750 6 106 . 1 1 42 42 LYS N N 15 123.3 . . 1 . . . . 27 Lys N . 16750 6 107 . 1 1 43 43 LYS H H 1 8.4 . . 1 . . . . 28 Lys H . 16750 6 108 . 1 1 43 43 LYS C C 13 177.04 . . 1 . . . . 28 Lys C . 16750 6 109 . 1 1 43 43 LYS CA C 13 56.92 . . 1 . . . . 28 Lys CA . 16750 6 110 . 1 1 43 43 LYS N N 15 123.27 . . 1 . . . . 28 Lys N . 16750 6 111 . 1 1 44 44 GLY H H 1 8.49 . . 1 . . . . 29 Gly H . 16750 6 112 . 1 1 44 44 GLY C C 13 173.93 . . 1 . . . . 29 Gly C . 16750 6 113 . 1 1 44 44 GLY CA C 13 58.31 . . 1 . . . . 29 Gly CA . 16750 6 114 . 1 1 44 44 GLY N N 15 121.94 . . 1 . . . . 29 Gly N . 16750 6 115 . 1 1 45 45 GLU H H 1 8.2 . . 1 . . . . 30 Glu H . 16750 6 116 . 1 1 45 45 GLU C C 13 175.92 . . 1 . . . . 30 Glu C . 16750 6 117 . 1 1 45 45 GLU CA C 13 55.78 . . 1 . . . . 30 Glu CA . 16750 6 118 . 1 1 45 45 GLU N N 15 119.99 . . 1 . . . . 30 Glu N . 16750 6 119 . 1 1 46 46 ARG H H 1 8.53 . . 1 . . . . 31 Arg H . 16750 6 120 . 1 1 46 46 ARG C C 13 176.09 . . 1 . . . . 31 Arg C . 16750 6 121 . 1 1 46 46 ARG CA C 13 56.23 . . 1 . . . . 31 Arg CA . 16750 6 122 . 1 1 46 46 ARG N N 15 123.13 . . 1 . . . . 31 Arg N . 16750 6 123 . 1 1 47 47 LEU H H 1 8.42 . . 1 . . . . 32 Leu H . 16750 6 124 . 1 1 47 47 LEU C C 13 177.04 . . 1 . . . . 32 Leu C . 16750 6 125 . 1 1 47 47 LEU CA C 13 55.18 . . 1 . . . . 32 Leu CA . 16750 6 126 . 1 1 47 47 LEU N N 15 124.47 . . 1 . . . . 32 Leu N . 16750 6 127 . 1 1 48 48 GLN H H 1 8.58 . . 1 . . . . 33 Gln H . 16750 6 128 . 1 1 48 48 GLN C C 13 175.64 . . 1 . . . . 33 Gln C . 16750 6 129 . 1 1 48 48 GLN CA C 13 55.78 . . 1 . . . . 33 Gln CA . 16750 6 130 . 1 1 48 48 GLN N N 15 122.45 . . 1 . . . . 33 Gln N . 16750 6 131 . 1 1 49 49 ILE H H 1 8.32 . . 1 . . . . 34 Ile H . 16750 6 132 . 1 1 49 49 ILE C C 13 176.07 . . 1 . . . . 34 Ile C . 16750 6 133 . 1 1 49 49 ILE CA C 13 61.12 . . 1 . . . . 34 Ile CA . 16750 6 134 . 1 1 49 49 ILE N N 15 123.6 . . 1 . . . . 34 Ile N . 16750 6 135 . 1 1 50 50 VAL H H 1 8.31 . . 1 . . . . 35 Val H . 16750 6 136 . 1 1 50 50 VAL C C 13 175.59 . . 1 . . . . 35 Val C . 16750 6 137 . 1 1 50 50 VAL CA C 13 62.09 . . 1 . . . . 35 Val CA . 16750 6 138 . 1 1 50 50 VAL N N 15 124.76 . . 1 . . . . 35 Val N . 16750 6 139 . 1 1 51 51 ASN H H 1 8.56 . . 1 . . . . 36 Asn H . 16750 6 140 . 1 1 51 51 ASN C C 13 174.89 . . 1 . . . . 36 Asn C . 16750 6 141 . 1 1 51 51 ASN CA C 13 53.2 . . 1 . . . . 36 Asn CA . 16750 6 142 . 1 1 51 51 ASN N N 15 123.02 . . 1 . . . . 36 Asn N . 16750 6 143 . 1 1 52 52 ASN H H 1 8.53 . . 1 . . . . 37 Asn H . 16750 6 144 . 1 1 52 52 ASN C C 13 175.6 . . 1 . . . . 37 Asn C . 16750 6 145 . 1 1 52 52 ASN CA C 13 53.48 . . 1 . . . . 37 Asn CA . 16750 6 146 . 1 1 52 52 ASN N N 15 120.18 . . 1 . . . . 37 Asn N . 16750 6 147 . 1 1 53 53 THR H H 1 8.24 . . 1 . . . . 38 Thr H . 16750 6 148 . 1 1 53 53 THR C C 13 174.88 . . 1 . . . . 38 Thr C . 16750 6 149 . 1 1 53 53 THR CA C 13 62.11 . . 1 . . . . 38 Thr CA . 16750 6 150 . 1 1 53 53 THR N N 15 125.35 . . 1 . . . . 38 Thr N . 16750 6 151 . 1 1 54 54 GLU H H 1 8.31 . . 1 . . . . 39 Glu H . 16750 6 152 . 1 1 54 54 GLU C C 13 176.44 . . 1 . . . . 39 Glu C . 16750 6 153 . 1 1 54 54 GLU CA C 13 56.3 . . 1 . . . . 39 Glu CA . 16750 6 154 . 1 1 54 54 GLU N N 15 121.86 . . 1 . . . . 39 Glu N . 16750 6 155 . 1 1 55 55 GLY H H 1 8.31 . . 1 . . . . 40 Gly H . 16750 6 156 . 1 1 55 55 GLY C C 13 174 . . 1 . . . . 40 Gly C . 16750 6 157 . 1 1 55 55 GLY CA C 13 58.49 . . 1 . . . . 40 Gly CA . 16750 6 158 . 1 1 55 55 GLY N N 15 120.81 . . 1 . . . . 40 Gly N . 16750 6 159 . 1 1 56 56 ASP H H 1 8.27 . . 1 . . . . 41 Asp H . 16750 6 160 . 1 1 56 56 ASP C C 13 175.49 . . 1 . . . . 41 Asp C . 16750 6 161 . 1 1 56 56 ASP CA C 13 52.63 . . 1 . . . . 41 Asp CA . 16750 6 162 . 1 1 56 56 ASP N N 15 119.01 . . 1 . . . . 41 Asp N . 16750 6 163 . 1 1 57 57 TRP H H 1 7.95 . . 1 . . . . 42 Trp H . 16750 6 164 . 1 1 57 57 TRP C C 13 176.46 . . 1 . . . . 42 Trp C . 16750 6 165 . 1 1 57 57 TRP CA C 13 58.55 . . 1 . . . . 42 Trp CA . 16750 6 166 . 1 1 57 57 TRP N N 15 122.33 . . 1 . . . . 42 Trp N . 16750 6 167 . 1 1 58 58 TRP H H 1 7.38 . . 1 . . . . 43 Trp H . 16750 6 168 . 1 1 58 58 TRP C C 13 176.03 . . 1 . . . . 43 Trp C . 16750 6 169 . 1 1 58 58 TRP CA C 13 58.13 . . 1 . . . . 43 Trp CA . 16750 6 170 . 1 1 58 58 TRP N N 15 120.12 . . 1 . . . . 43 Trp N . 16750 6 171 . 1 1 59 59 LEU H H 1 7.44 . . 1 . . . . 44 Leu H . 16750 6 172 . 1 1 59 59 LEU C C 13 176.93 . . 1 . . . . 44 Leu C . 16750 6 173 . 1 1 59 59 LEU CA C 13 55.07 . . 1 . . . . 44 Leu CA . 16750 6 174 . 1 1 59 59 LEU N N 15 122.29 . . 1 . . . . 44 Leu N . 16750 6 175 . 1 1 60 60 ALA H H 1 7.92 . . 1 . . . . 45 Ala H . 16750 6 176 . 1 1 60 60 ALA C C 13 177.54 . . 1 . . . . 45 Ala C . 16750 6 177 . 1 1 60 60 ALA CA C 13 52.78 . . 1 . . . . 45 Ala CA . 16750 6 178 . 1 1 60 60 ALA N N 15 123.49 . . 1 . . . . 45 Ala N . 16750 6 179 . 1 1 61 61 HIS H H 1 8.33 . . 1 . . . . 46 His H . 16750 6 180 . 1 1 61 61 HIS C C 13 174.38 . . 1 . . . . 46 His C . 16750 6 181 . 1 1 61 61 HIS CA C 13 55.37 . . 1 . . . . 46 His CA . 16750 6 182 . 1 1 61 61 HIS N N 15 117.06 . . 1 . . . . 46 His N . 16750 6 183 . 1 1 62 62 SER H H 1 8.33 . . 1 . . . . 47 Ser H . 16750 6 184 . 1 1 62 62 SER C C 13 174.52 . . 1 . . . . 47 Ser C . 16750 6 185 . 1 1 62 62 SER CA C 13 58.46 . . 1 . . . . 47 Ser CA . 16750 6 186 . 1 1 62 62 SER N N 15 116.79 . . 1 . . . . 47 Ser N . 16750 6 187 . 1 1 63 63 LEU H H 1 8.47 . . 1 . . . . 48 Leu H . 16750 6 188 . 1 1 63 63 LEU C C 13 177.62 . . 1 . . . . 48 Leu C . 16750 6 189 . 1 1 63 63 LEU CA C 13 55.47 . . 1 . . . . 48 Leu CA . 16750 6 190 . 1 1 63 63 LEU N N 15 124.24 . . 1 . . . . 48 Leu N . 16750 6 191 . 1 1 64 64 THR H H 1 8.27 . . 1 . . . . 49 Thr H . 16750 6 192 . 1 1 64 64 THR C C 13 174.9 . . 1 . . . . 49 Thr C . 16750 6 193 . 1 1 64 64 THR CA C 13 61.69 . . 1 . . . . 49 Thr CA . 16750 6 194 . 1 1 64 64 THR N N 15 125.85 . . 1 . . . . 49 Thr N . 16750 6 195 . 1 1 65 65 THR H H 1 8.18 . . 1 . . . . 50 Thr H . 16750 6 196 . 1 1 65 65 THR C C 13 175.07 . . 1 . . . . 50 Thr C . 16750 6 197 . 1 1 65 65 THR CA C 13 61.98 . . 1 . . . . 50 Thr CA . 16750 6 198 . 1 1 65 65 THR N N 15 115.25 . . 1 . . . . 50 Thr N . 16750 6 199 . 1 1 66 66 GLY H H 1 8.4 . . 1 . . . . 51 Gly H . 16750 6 200 . 1 1 66 66 GLY C C 13 174.06 . . 1 . . . . 51 Gly C . 16750 6 201 . 1 1 66 66 GLY CA C 13 58.34 . . 1 . . . . 51 Gly CA . 16750 6 202 . 1 1 66 66 GLY N N 15 122.48 . . 1 . . . . 51 Gly N . 16750 6 203 . 1 1 67 67 GLN H H 1 8.31 . . 1 . . . . 52 Gln H . 16750 6 204 . 1 1 67 67 GLN C C 13 176.34 . . 1 . . . . 52 Gln C . 16750 6 205 . 1 1 67 67 GLN CA C 13 56.1 . . 1 . . . . 52 Gln CA . 16750 6 206 . 1 1 67 67 GLN N N 15 119.96 . . 1 . . . . 52 Gln N . 16750 6 207 . 1 1 68 68 THR H H 1 8.29 . . 1 . . . . 53 Thr H . 16750 6 208 . 1 1 68 68 THR C C 13 175.1 . . 1 . . . . 53 Thr C . 16750 6 209 . 1 1 68 68 THR CA C 13 62.06 . . 1 . . . . 53 Thr CA . 16750 6 210 . 1 1 68 68 THR N N 15 114.76 . . 1 . . . . 53 Thr N . 16750 6 211 . 1 1 69 69 GLY H H 1 8.4 . . 1 . . . . 54 Gly H . 16750 6 212 . 1 1 69 69 GLY C C 13 178.86 . . 1 . . . . 54 Gly C . 16750 6 213 . 1 1 69 69 GLY CA C 13 58.34 . . 1 . . . . 54 Gly CA . 16750 6 214 . 1 1 69 69 GLY N N 15 122.3 . . 1 . . . . 54 Gly N . 16750 6 215 . 1 1 70 70 TYR H H 1 8.12 . . 1 . . . . 55 Tyr H . 16750 6 216 . 1 1 70 70 TYR C C 13 175.03 . . 1 . . . . 55 Tyr C . 16750 6 217 . 1 1 70 70 TYR CA C 13 58.06 . . 1 . . . . 55 Tyr CA . 16750 6 218 . 1 1 70 70 TYR N N 15 120.89 . . 1 . . . . 55 Tyr N . 16750 6 219 . 1 1 71 71 ILE H H 1 8.1 . . 1 . . . . 56 Ile H . 16750 6 220 . 1 1 71 71 ILE CA C 13 58.07 . . 1 . . . . 56 Ile CA . 16750 6 221 . 1 1 71 71 ILE N N 15 114.99 . . 1 . . . . 56 Ile N . 16750 6 222 . 1 1 72 72 PRO C C 13 176.82 . . 1 . . . . 57 Pro C . 16750 6 223 . 1 1 72 72 PRO CA C 13 58.44 . . 1 . . . . 57 Pro CA . 16750 6 224 . 1 1 73 73 SER H H 1 8.43 . . 1 . . . . 58 Ser H . 16750 6 225 . 1 1 73 73 SER C C 13 174.5 . . 1 . . . . 58 Ser C . 16750 6 226 . 1 1 73 73 SER CA C 13 63.08 . . 1 . . . . 58 Ser CA . 16750 6 227 . 1 1 73 73 SER N N 15 115.95 . . 1 . . . . 58 Ser N . 16750 6 228 . 1 1 74 74 ASN H H 1 8.45 . . 1 . . . . 59 Asn H . 16750 6 229 . 1 1 74 74 ASN C C 13 174.63 . . 1 . . . . 59 Asn C . 16750 6 230 . 1 1 74 74 ASN CA C 13 53.22 . . 1 . . . . 59 Asn CA . 16750 6 231 . 1 1 74 74 ASN N N 15 120.4 . . 1 . . . . 59 Asn N . 16750 6 232 . 1 1 75 75 TYR H H 1 8.11 . . 1 . . . . 60 Tyr H . 16750 6 233 . 1 1 75 75 TYR C C 13 175.06 . . 1 . . . . 60 Tyr C . 16750 6 234 . 1 1 75 75 TYR CA C 13 58.41 . . 1 . . . . 60 Tyr CA . 16750 6 235 . 1 1 75 75 TYR N N 15 121.14 . . 1 . . . . 60 Tyr N . 16750 6 236 . 1 1 76 76 VAL H H 1 7.91 . . 1 . . . . 61 Val H . 16750 6 237 . 1 1 76 76 VAL C C 13 174.79 . . 1 . . . . 61 Val C . 16750 6 238 . 1 1 76 76 VAL CA C 13 61.53 . . 1 . . . . 61 Val CA . 16750 6 239 . 1 1 76 76 VAL N N 15 125.24 . . 1 . . . . 61 Val N . 16750 6 240 . 1 1 77 77 ALA H H 1 8.3 . . 1 . . . . 62 Ala H . 16750 6 241 . 1 1 77 77 ALA CA C 13 63.62 . . 1 . . . . 62 Ala CA . 16750 6 242 . 1 1 77 77 ALA N N 15 118.09 . . 1 . . . . 62 Ala N . 16750 6 243 . 1 1 78 78 PRO C C 13 176.83 . . 1 . . . . 63 Pro C . 16750 6 244 . 1 1 78 78 PRO CA C 13 63.1 . . 1 . . . . 63 Pro CA . 16750 6 245 . 1 1 79 79 SER H H 1 8.42 . . 1 . . . . 64 Ser H . 16750 6 246 . 1 1 79 79 SER C C 13 174.2 . . 1 . . . . 64 Ser C . 16750 6 247 . 1 1 79 79 SER CA C 13 58.67 . . 1 . . . . 64 Ser CA . 16750 6 248 . 1 1 79 79 SER N N 15 115.89 . . 1 . . . . 64 Ser N . 16750 6 249 . 1 1 80 80 ASN H H 1 8.34 . . 1 . . . . 65 Asn H . 16750 6 250 . 1 1 80 80 ASN CA C 13 52.13 . . 1 . . . . 65 Asn CA . 16750 6 251 . 1 1 80 80 ASN N N 15 120.7 . . 1 . . . . 65 Asn N . 16750 6 stop_ save_