################################### # 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_GdHCl1M_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode GdHCl1M_assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25255 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $25C_pH6_highIS _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' . . . 25255 1 14 '3D HNCA' . . . 25255 1 15 '3D HN(CO)CA' . . . 25255 1 16 '3D HNCO' . . . 25255 1 17 '3D CBCA(CO)NH' . . . 25255 1 18 '3D HNCACB' . . . 25255 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLN C C 13 175.66 . . . . . . . . 2 Gln C . 25255 1 2 . 1 . 1 2 2 GLN CA C 13 56.14 . . . . . . . . 2 Gln CA . 25255 1 3 . 1 . 1 3 3 ILE H H 1 8.36 . . . . . . . . 3 Ile H . 25255 1 4 . 1 . 1 3 3 ILE C C 13 176.16 . . . . . . . . 3 Ile C . 25255 1 5 . 1 . 1 3 3 ILE CA C 13 61.23 . . . . . . . . 3 Ile CA . 25255 1 6 . 1 . 1 3 3 ILE N N 15 123.2 . . . . . . . . 3 Ile N . 25255 1 7 . 1 . 1 4 4 THR H H 1 8.24 . . . . . . . . 4 Thr H . 25255 1 8 . 1 . 1 4 4 THR C C 13 174.15 . . . . . . . . 4 Thr C . 25255 1 9 . 1 . 1 4 4 THR CA C 13 61.78 . . . . . . . . 4 Thr CA . 25255 1 10 . 1 . 1 4 4 THR N N 15 119.48 . . . . . . . . 4 Thr N . 25255 1 11 . 1 . 1 5 5 LEU H H 1 8.23 . . . . . . . . 5 Leu H . 25255 1 12 . 1 . 1 5 5 LEU C C 13 176.73 . . . . . . . . 5 Leu C . 25255 1 13 . 1 . 1 5 5 LEU CA C 13 55.28 . . . . . . . . 5 Leu CA . 25255 1 14 . 1 . 1 5 5 LEU N N 15 125.47 . . . . . . . . 5 Leu N . 25255 1 15 . 1 . 1 6 6 TRP H H 1 8.03 . . . . . . . . 6 Trp H . 25255 1 16 . 1 . 1 6 6 TRP C C 13 175.78 . . . . . . . . 6 Trp C . 25255 1 17 . 1 . 1 6 6 TRP CA C 13 57.22 . . . . . . . . 6 Trp CA . 25255 1 18 . 1 . 1 6 6 TRP N N 15 121.89 . . . . . . . . 6 Trp N . 25255 1 19 . 1 . 1 7 7 LYS H H 1 7.97 . . . . . . . . 7 Lys H . 25255 1 20 . 1 . 1 7 7 LYS C C 13 175.56 . . . . . . . . 7 Lys C . 25255 1 21 . 1 . 1 7 7 LYS CA C 13 55.88 . . . . . . . . 7 Lys CA . 25255 1 22 . 1 . 1 7 7 LYS N N 15 123.5 . . . . . . . . 7 Lys N . 25255 1 23 . 1 . 1 8 8 ARG H H 1 8.11 . . . . . . . . 8 Arg H . 25255 1 24 . 1 . 1 8 8 ARG CA C 13 54.24 . . . . . . . . 8 Arg CA . 25255 1 25 . 1 . 1 8 8 ARG N N 15 123.6 . . . . . . . . 8 Arg N . 25255 1 26 . 1 . 1 9 9 PRO C C 13 176.64 . . . . . . . . 9 Pro C . 25255 1 27 . 1 . 1 9 9 PRO CA C 13 63.06 . . . . . . . . 9 Pro CA . 25255 1 28 . 1 . 1 10 10 LEU H H 1 8.3 . . . . . . . . 10 Leu H . 25255 1 29 . 1 . 1 10 10 LEU C C 13 177.38 . . . . . . . . 10 Leu C . 25255 1 30 . 1 . 1 10 10 LEU CA C 13 55.46 . . . . . . . . 10 Leu CA . 25255 1 31 . 1 . 1 10 10 LEU N N 15 122.88 . . . . . . . . 10 Leu N . 25255 1 32 . 1 . 1 11 11 VAL H H 1 8.1 . . . . . . . . 11 Val H . 25255 1 33 . 1 . 1 11 11 VAL C C 13 176.01 . . . . . . . . 11 Val C . 25255 1 34 . 1 . 1 11 11 VAL CA C 13 62.2 . . . . . . . . 11 Val CA . 25255 1 35 . 1 . 1 11 11 VAL N N 15 121.17 . . . . . . . . 11 Val N . 25255 1 36 . 1 . 1 12 12 THR H H 1 8.23 . . . . . . . . 12 Thr H . 25255 1 37 . 1 . 1 12 12 THR C C 13 174.24 . . . . . . . . 12 Thr C . 25255 1 38 . 1 . 1 12 12 THR CA C 13 61.83 . . . . . . . . 12 Thr CA . 25255 1 39 . 1 . 1 12 12 THR N N 15 118.8 . . . . . . . . 12 Thr N . 25255 1 40 . 1 . 1 13 13 ILE H H 1 8.17 . . . . . . . . 13 Ile H . 25255 1 41 . 1 . 1 13 13 ILE C C 13 175.72 . . . . . . . . 13 Ile C . 25255 1 42 . 1 . 1 13 13 ILE CA C 13 61.02 . . . . . . . . 13 Ile CA . 25255 1 43 . 1 . 1 13 13 ILE N N 15 123.85 . . . . . . . . 13 Ile N . 25255 1 44 . 1 . 1 14 14 ARG H H 1 8.39 . . . . . . . . 14 Arg H . 25255 1 45 . 1 . 1 14 14 ARG CA C 13 55.88 . . . . . . . . 14 Arg CA . 25255 1 46 . 1 . 1 14 14 ARG N N 15 125.68 . . . . . . . . 14 Arg N . 25255 1 47 . 1 . 1 15 15 ILE H H 1 8.29 . . . . . . . . 15 Ile H . 25255 1 48 . 1 . 1 15 15 ILE C C 13 176.78 . . . . . . . . 15 Ile C . 25255 1 49 . 1 . 1 15 15 ILE CA C 13 61.3 . . . . . . . . 15 Ile CA . 25255 1 50 . 1 . 1 15 15 ILE N N 15 123.33 . . . . . . . . 15 Ile N . 25255 1 51 . 1 . 1 16 16 GLY H H 1 8.55 . . . . . . . . 16 Gly H . 25255 1 52 . 1 . 1 16 16 GLY C C 13 174.74 . . . . . . . . 16 Gly C . 25255 1 53 . 1 . 1 16 16 GLY CA C 13 45.5 . . . . . . . . 16 Gly CA . 25255 1 54 . 1 . 1 16 16 GLY N N 15 113.63 . . . . . . . . 16 Gly N . 25255 1 55 . 1 . 1 17 17 GLY H H 1 8.32 . . . . . . . . 17 Gly H . 25255 1 56 . 1 . 1 17 17 GLY C C 13 174.25 . . . . . . . . 17 Gly C . 25255 1 57 . 1 . 1 17 17 GLY CA C 13 45.45 . . . . . . . . 17 Gly CA . 25255 1 58 . 1 . 1 17 17 GLY N N 15 108.83 . . . . . . . . 17 Gly N . 25255 1 59 . 1 . 1 18 18 GLN H H 1 8.3 . . . . . . . . 18 Gln H . 25255 1 60 . 1 . 1 18 18 GLN C C 13 176.12 . . . . . . . . 18 Gln C . 25255 1 61 . 1 . 1 18 18 GLN CA C 13 56.01 . . . . . . . . 18 Gln CA . 25255 1 62 . 1 . 1 18 18 GLN N N 15 119.87 . . . . . . . . 18 Gln N . 25255 1 63 . 1 . 1 19 19 LEU H H 1 8.31 . . . . . . . . 19 Leu H . 25255 1 64 . 1 . 1 19 19 LEU C C 13 177.44 . . . . . . . . 19 Leu C . 25255 1 65 . 1 . 1 19 19 LEU CA C 13 55.51 . . . . . . . . 19 Leu CA . 25255 1 66 . 1 . 1 19 19 LEU N N 15 123.49 . . . . . . . . 19 Leu N . 25255 1 67 . 1 . 1 20 20 LYS H H 1 8.31 . . . . . . . . 20 Lys H . 25255 1 68 . 1 . 1 20 20 LYS C C 13 176.68 . . . . . . . . 20 Lys C . 25255 1 69 . 1 . 1 20 20 LYS CA C 13 56.73 . . . . . . . . 20 Lys CA . 25255 1 70 . 1 . 1 20 20 LYS N N 15 122.31 . . . . . . . . 20 Lys N . 25255 1 71 . 1 . 1 21 21 GLU H H 1 8.37 . . . . . . . . 21 Glu H . 25255 1 72 . 1 . 1 21 21 GLU C C 13 176.34 . . . . . . . . 21 Glu C . 25255 1 73 . 1 . 1 21 21 GLU CA C 13 56.97 . . . . . . . . 21 Glu CA . 25255 1 74 . 1 . 1 21 21 GLU N N 15 121.62 . . . . . . . . 21 Glu N . 25255 1 75 . 1 . 1 22 22 ALA H H 1 8.26 . . . . . . . . 22 Ala H . 25255 1 76 . 1 . 1 22 22 ALA C C 13 177.71 . . . . . . . . 22 Ala C . 25255 1 77 . 1 . 1 22 22 ALA CA C 13 52.75 . . . . . . . . 22 Ala CA . 25255 1 78 . 1 . 1 22 22 ALA N N 15 124.62 . . . . . . . . 22 Ala N . 25255 1 79 . 1 . 1 23 23 LEU H H 1 8.12 . . . . . . . . 23 Leu H . 25255 1 80 . 1 . 1 23 23 LEU C C 13 177.42 . . . . . . . . 23 Leu C . 25255 1 81 . 1 . 1 23 23 LEU CA C 13 55.27 . . . . . . . . 23 Leu CA . 25255 1 82 . 1 . 1 23 23 LEU N N 15 120.84 . . . . . . . . 23 Leu N . 25255 1 83 . 1 . 1 24 24 LEU H H 1 8.1 . . . . . . . . 24 Leu H . 25255 1 84 . 1 . 1 24 24 LEU C C 13 177.13 . . . . . . . . 24 Leu C . 25255 1 85 . 1 . 1 24 24 LEU CA C 13 55.29 . . . . . . . . 24 Leu CA . 25255 1 86 . 1 . 1 24 24 LEU N N 15 122.16 . . . . . . . . 24 Leu N . 25255 1 87 . 1 . 1 25 25 ASN H H 1 8.42 . . . . . . . . 25 Asn H . 25255 1 88 . 1 . 1 25 25 ASN C C 13 175.51 . . . . . . . . 25 Asn C . 25255 1 89 . 1 . 1 25 25 ASN CA C 13 53.26 . . . . . . . . 25 Asn CA . 25255 1 90 . 1 . 1 25 25 ASN N N 15 119.52 . . . . . . . . 25 Asn N . 25255 1 91 . 1 . 1 26 26 THR H H 1 8.14 . . . . . . . . 26 Thr H . 25255 1 92 . 1 . 1 26 26 THR C C 13 175.31 . . . . . . . . 26 Thr C . 25255 1 93 . 1 . 1 26 26 THR CA C 13 62.09 . . . . . . . . 26 Thr CA . 25255 1 94 . 1 . 1 26 26 THR N N 15 113.66 . . . . . . . . 26 Thr N . 25255 1 95 . 1 . 1 27 27 GLY H H 1 8.46 . . . . . . . . 27 Gly H . 25255 1 96 . 1 . 1 27 27 GLY C C 13 173.98 . . . . . . . . 27 Gly C . 25255 1 97 . 1 . 1 27 27 GLY CA C 13 45.42 . . . . . . . . 27 Gly CA . 25255 1 98 . 1 . 1 27 27 GLY N N 15 111.18 . . . . . . . . 27 Gly N . 25255 1 99 . 1 . 1 28 28 ALA H H 1 8.13 . . . . . . . . 28 Ala H . 25255 1 100 . 1 . 1 28 28 ALA C C 13 177.49 . . . . . . . . 28 Ala C . 25255 1 101 . 1 . 1 28 28 ALA CA C 13 52.65 . . . . . . . . 28 Ala CA . 25255 1 102 . 1 . 1 28 28 ALA N N 15 123.71 . . . . . . . . 28 Ala N . 25255 1 103 . 1 . 1 29 29 ASP H H 1 8.32 . . . . . . . . 29 Asp H . 25255 1 104 . 1 . 1 29 29 ASP C C 13 176.1 . . . . . . . . 29 Asp C . 25255 1 105 . 1 . 1 29 29 ASP CA C 13 54.36 . . . . . . . . 29 Asp CA . 25255 1 106 . 1 . 1 29 29 ASP N N 15 119.31 . . . . . . . . 29 Asp N . 25255 1 107 . 1 . 1 30 30 ASP H H 1 8.29 . . . . . . . . 30 Asp H . 25255 1 108 . 1 . 1 30 30 ASP C C 13 176.64 . . . . . . . . 30 Asp C . 25255 1 109 . 1 . 1 30 30 ASP CA C 13 54.62 . . . . . . . . 30 Asp CA . 25255 1 110 . 1 . 1 30 30 ASP N N 15 120.93 . . . . . . . . 30 Asp N . 25255 1 111 . 1 . 1 31 31 THR H H 1 8.15 . . . . . . . . 31 Thr H . 25255 1 112 . 1 . 1 31 31 THR CA C 13 62.82 . . . . . . . . 31 Thr CA . 25255 1 113 . 1 . 1 31 31 THR N N 15 114.4 . . . . . . . . 31 Thr N . 25255 1 114 . 1 . 1 32 32 VAL H H 1 8.03 . . . . . . . . 32 Val H . 25255 1 115 . 1 . 1 32 32 VAL C C 13 176.23 . . . . . . . . 32 Val C . 25255 1 116 . 1 . 1 32 32 VAL CA C 13 62.74 . . . . . . . . 32 Val CA . 25255 1 117 . 1 . 1 32 32 VAL N N 15 122.66 . . . . . . . . 32 Val N . 25255 1 118 . 1 . 1 33 33 LEU H H 1 8.2 . . . . . . . . 33 Leu H . 25255 1 119 . 1 . 1 33 33 LEU C C 13 177.57 . . . . . . . . 33 Leu C . 25255 1 120 . 1 . 1 33 33 LEU CA C 13 55.55 . . . . . . . . 33 Leu CA . 25255 1 121 . 1 . 1 33 33 LEU N N 15 125.55 . . . . . . . . 33 Leu N . 25255 1 122 . 1 . 1 34 34 GLU H H 1 8.34 . . . . . . . . 34 Glu H . 25255 1 123 . 1 . 1 34 34 GLU C C 13 176.69 . . . . . . . . 34 Glu C . 25255 1 124 . 1 . 1 34 34 GLU CA C 13 57 . . . . . . . . 34 Glu CA . 25255 1 125 . 1 . 1 34 34 GLU N N 15 121.51 . . . . . . . . 34 Glu N . 25255 1 126 . 1 . 1 35 35 GLU H H 1 8.35 . . . . . . . . 35 Glu H . 25255 1 127 . 1 . 1 35 35 GLU C C 13 176.61 . . . . . . . . 35 Glu C . 25255 1 128 . 1 . 1 35 35 GLU CA C 13 56.93 . . . . . . . . 35 Glu CA . 25255 1 129 . 1 . 1 35 35 GLU N N 15 121.26 . . . . . . . . 35 Glu N . 25255 1 130 . 1 . 1 36 36 MET H H 1 8.26 . . . . . . . . 36 Met H . 25255 1 131 . 1 . 1 36 36 MET C C 13 175.87 . . . . . . . . 36 Met C . 25255 1 132 . 1 . 1 36 36 MET CA C 13 55.86 . . . . . . . . 36 Met CA . 25255 1 133 . 1 . 1 36 36 MET N N 15 120.31 . . . . . . . . 36 Met N . 25255 1 134 . 1 . 1 37 37 ASN H H 1 8.38 . . . . . . . . 37 Asn H . 25255 1 135 . 1 . 1 37 37 ASN C C 13 174.6 . . . . . . . . 37 Asn C . 25255 1 136 . 1 . 1 37 37 ASN CA C 13 53.13 . . . . . . . . 37 Asn CA . 25255 1 137 . 1 . 1 37 37 ASN N N 15 119.36 . . . . . . . . 37 Asn N . 25255 1 138 . 1 . 1 38 38 LEU H H 1 8.05 . . . . . . . . 38 Leu H . 25255 1 139 . 1 . 1 38 38 LEU CA C 13 53.33 . . . . . . . . 38 Leu CA . 25255 1 140 . 1 . 1 38 38 LEU N N 15 123.32 . . . . . . . . 38 Leu N . 25255 1 141 . 1 . 1 39 39 PRO C C 13 177.56 . . . . . . . . 39 Pro C . 25255 1 142 . 1 . 1 39 39 PRO CA C 13 63.53 . . . . . . . . 39 Pro CA . 25255 1 143 . 1 . 1 40 40 GLY H H 1 8.38 . . . . . . . . 40 Gly H . 25255 1 144 . 1 . 1 40 40 GLY C C 13 174.17 . . . . . . . . 40 Gly C . 25255 1 145 . 1 . 1 40 40 GLY CA C 13 45.46 . . . . . . . . 40 Gly CA . 25255 1 146 . 1 . 1 40 40 GLY N N 15 109.13 . . . . . . . . 40 Gly N . 25255 1 147 . 1 . 1 41 41 LYS H H 1 8.04 . . . . . . . . 41 Lys H . 25255 1 148 . 1 . 1 41 41 LYS C C 13 176.25 . . . . . . . . 41 Lys C . 25255 1 149 . 1 . 1 41 41 LYS CA C 13 56.63 . . . . . . . . 41 Lys CA . 25255 1 150 . 1 . 1 41 41 LYS N N 15 120.62 . . . . . . . . 41 Lys N . 25255 1 151 . 1 . 1 42 42 TRP H H 1 8.14 . . . . . . . . 42 Trp H . 25255 1 152 . 1 . 1 42 42 TRP C C 13 175.54 . . . . . . . . 42 Trp C . 25255 1 153 . 1 . 1 42 42 TRP CA C 13 57.54 . . . . . . . . 42 Trp CA . 25255 1 154 . 1 . 1 42 42 TRP N N 15 122.18 . . . . . . . . 42 Trp N . 25255 1 155 . 1 . 1 43 43 LYS H H 1 7.81 . . . . . . . . 43 Lys H . 25255 1 156 . 1 . 1 43 43 LYS CA C 13 53.91 . . . . . . . . 43 Lys CA . 25255 1 157 . 1 . 1 43 43 LYS N N 15 124.98 . . . . . . . . 43 Lys N . 25255 1 158 . 1 . 1 44 44 PRO C C 13 176.73 . . . . . . . . 44 Pro C . 25255 1 159 . 1 . 1 44 44 PRO CA C 13 62.99 . . . . . . . . 44 Pro CA . 25255 1 160 . 1 . 1 45 45 LYS H H 1 8.34 . . . . . . . . 45 Lys H . 25255 1 161 . 1 . 1 45 45 LYS C C 13 176.56 . . . . . . . . 45 Lys C . 25255 1 162 . 1 . 1 45 45 LYS CA C 13 56.56 . . . . . . . . 45 Lys CA . 25255 1 163 . 1 . 1 45 45 LYS N N 15 121.3 . . . . . . . . 45 Lys N . 25255 1 164 . 1 . 1 46 46 MET H H 1 8.33 . . . . . . . . 46 Met H . 25255 1 165 . 1 . 1 46 46 MET C C 13 175.98 . . . . . . . . 46 Met C . 25255 1 166 . 1 . 1 46 46 MET CA C 13 55.41 . . . . . . . . 46 Met CA . 25255 1 167 . 1 . 1 46 46 MET N N 15 121.84 . . . . . . . . 46 Met N . 25255 1 168 . 1 . 1 47 47 ILE H H 1 8.19 . . . . . . . . 47 Ile H . 25255 1 169 . 1 . 1 47 47 ILE C C 13 176.63 . . . . . . . . 47 Ile C . 25255 1 170 . 1 . 1 47 47 ILE CA C 13 61.31 . . . . . . . . 47 Ile CA . 25255 1 171 . 1 . 1 47 47 ILE N N 15 122.56 . . . . . . . . 47 Ile N . 25255 1 172 . 1 . 1 48 48 GLY H H 1 8.49 . . . . . . . . 48 Gly H . 25255 1 173 . 1 . 1 48 48 GLY C C 13 174.52 . . . . . . . . 48 Gly C . 25255 1 174 . 1 . 1 48 48 GLY CA C 13 45.32 . . . . . . . . 48 Gly CA . 25255 1 175 . 1 . 1 48 48 GLY N N 15 113.15 . . . . . . . . 48 Gly N . 25255 1 176 . 1 . 1 49 49 GLY H H 1 8.21 . . . . . . . . 49 Gly H . 25255 1 177 . 1 . 1 49 49 GLY C C 13 174.31 . . . . . . . . 49 Gly C . 25255 1 178 . 1 . 1 49 49 GLY CA C 13 45.3 . . . . . . . . 49 Gly CA . 25255 1 179 . 1 . 1 49 49 GLY N N 15 108.74 . . . . . . . . 49 Gly N . 25255 1 180 . 1 . 1 50 50 ILE H H 1 8.1 . . . . . . . . 50 Ile H . 25255 1 181 . 1 . 1 50 50 ILE C C 13 176.97 . . . . . . . . 50 Ile C . 25255 1 182 . 1 . 1 50 50 ILE CA C 13 61.59 . . . . . . . . 50 Ile CA . 25255 1 183 . 1 . 1 50 50 ILE N N 15 119.8 . . . . . . . . 50 Ile N . 25255 1 184 . 1 . 1 51 51 GLY H H 1 8.5 . . . . . . . . 51 Gly H . 25255 1 185 . 1 . 1 51 51 GLY C C 13 174.5 . . . . . . . . 51 Gly C . 25255 1 186 . 1 . 1 51 51 GLY CA C 13 45.43 . . . . . . . . 51 Gly CA . 25255 1 187 . 1 . 1 51 51 GLY N N 15 112.64 . . . . . . . . 51 Gly N . 25255 1 188 . 1 . 1 52 52 GLY H H 1 8.12 . . . . . . . . 52 Gly H . 25255 1 189 . 1 . 1 52 52 GLY C C 13 173.77 . . . . . . . . 52 Gly C . 25255 1 190 . 1 . 1 52 52 GLY CA C 13 45.25 . . . . . . . . 52 Gly CA . 25255 1 191 . 1 . 1 52 52 GLY N N 15 108.58 . . . . . . . . 52 Gly N . 25255 1 192 . 1 . 1 53 53 PHE H H 1 8.08 . . . . . . . . 53 Phe H . 25255 1 193 . 1 . 1 53 53 PHE C C 13 175.55 . . . . . . . . 53 Phe C . 25255 1 194 . 1 . 1 53 53 PHE CA C 13 57.83 . . . . . . . . 53 Phe CA . 25255 1 195 . 1 . 1 53 53 PHE N N 15 120.01 . . . . . . . . 53 Phe N . 25255 1 196 . 1 . 1 54 54 ILE H H 1 8.05 . . . . . . . . 54 Ile H . 25255 1 197 . 1 . 1 54 54 ILE C C 13 175.65 . . . . . . . . 54 Ile C . 25255 1 198 . 1 . 1 54 54 ILE CA C 13 60.94 . . . . . . . . 54 Ile CA . 25255 1 199 . 1 . 1 54 54 ILE N N 15 122.91 . . . . . . . . 54 Ile N . 25255 1 200 . 1 . 1 55 55 LYS H H 1 8.3 . . . . . . . . 55 Lys H . 25255 1 201 . 1 . 1 55 55 LYS C C 13 176.31 . . . . . . . . 55 Lys C . 25255 1 202 . 1 . 1 55 55 LYS CA C 13 56.39 . . . . . . . . 55 Lys CA . 25255 1 203 . 1 . 1 55 55 LYS N N 15 125.95 . . . . . . . . 55 Lys N . 25255 1 204 . 1 . 1 56 56 VAL H H 1 8.12 . . . . . . . . 56 Val H . 25255 1 205 . 1 . 1 56 56 VAL C C 13 176 . . . . . . . . 56 Val C . 25255 1 206 . 1 . 1 56 56 VAL CA C 13 62.35 . . . . . . . . 56 Val CA . 25255 1 207 . 1 . 1 56 56 VAL N N 15 122.01 . . . . . . . . 56 Val N . 25255 1 208 . 1 . 1 57 57 ARG H H 1 8.38 . . . . . . . . 57 Arg H . 25255 1 209 . 1 . 1 57 57 ARG C C 13 175.96 . . . . . . . . 57 Arg C . 25255 1 210 . 1 . 1 57 57 ARG CA C 13 56.12 . . . . . . . . 57 Arg CA . 25255 1 211 . 1 . 1 57 57 ARG N N 15 124.97 . . . . . . . . 57 Arg N . 25255 1 212 . 1 . 1 58 58 GLN H H 1 8.34 . . . . . . . . 58 Gln H . 25255 1 213 . 1 . 1 58 58 GLN C C 13 175.67 . . . . . . . . 58 Gln C . 25255 1 214 . 1 . 1 58 58 GLN CA C 13 55.99 . . . . . . . . 58 Gln CA . 25255 1 215 . 1 . 1 58 58 GLN N N 15 121.77 . . . . . . . . 58 Gln N . 25255 1 216 . 1 . 1 59 59 TYR H H 1 8.18 . . . . . . . . 59 Tyr H . 25255 1 217 . 1 . 1 59 59 TYR C C 13 175.55 . . . . . . . . 59 Tyr C . 25255 1 218 . 1 . 1 59 59 TYR CA C 13 57.89 . . . . . . . . 59 Tyr CA . 25255 1 219 . 1 . 1 59 59 TYR N N 15 120.64 . . . . . . . . 59 Tyr N . 25255 1 220 . 1 . 1 60 60 ASP H H 1 8.3 . . . . . . . . 60 Asp H . 25255 1 221 . 1 . 1 60 60 ASP C C 13 175.87 . . . . . . . . 60 Asp C . 25255 1 222 . 1 . 1 60 60 ASP CA C 13 54.48 . . . . . . . . 60 Asp CA . 25255 1 223 . 1 . 1 60 60 ASP N N 15 121.28 . . . . . . . . 60 Asp N . 25255 1 224 . 1 . 1 61 61 GLN H H 1 8.15 . . . . . . . . 61 Gln H . 25255 1 225 . 1 . 1 61 61 GLN C C 13 175.58 . . . . . . . . 61 Gln C . 25255 1 226 . 1 . 1 61 61 GLN CA C 13 55.64 . . . . . . . . 61 Gln CA . 25255 1 227 . 1 . 1 61 61 GLN N N 15 119.76 . . . . . . . . 61 Gln N . 25255 1 228 . 1 . 1 62 62 ILE H H 1 8.17 . . . . . . . . 62 Ile H . 25255 1 229 . 1 . 1 62 62 ILE CA C 13 58.96 . . . . . . . . 62 Ile CA . 25255 1 230 . 1 . 1 62 62 ILE N N 15 123.88 . . . . . . . . 62 Ile N . 25255 1 231 . 1 . 1 63 63 PRO C C 13 176.89 . . . . . . . . 63 Pro C . 25255 1 232 . 1 . 1 63 63 PRO CA C 13 63.28 . . . . . . . . 63 Pro CA . 25255 1 233 . 1 . 1 64 64 VAL H H 1 8.19 . . . . . . . . 64 Val H . 25255 1 234 . 1 . 1 64 64 VAL C C 13 176.28 . . . . . . . . 64 Val C . 25255 1 235 . 1 . 1 64 64 VAL CA C 13 62.76 . . . . . . . . 64 Val CA . 25255 1 236 . 1 . 1 64 64 VAL N N 15 120.75 . . . . . . . . 64 Val N . 25255 1 237 . 1 . 1 65 65 GLU H H 1 8.5 . . . . . . . . 65 Glu H . 25255 1 238 . 1 . 1 65 65 GLU C C 13 176.29 . . . . . . . . 65 Glu C . 25255 1 239 . 1 . 1 65 65 GLU CA C 13 56.62 . . . . . . . . 65 Glu CA . 25255 1 240 . 1 . 1 65 65 GLU N N 15 124.1 . . . . . . . . 65 Glu N . 25255 1 241 . 1 . 1 66 66 ILE H H 1 8.14 . . . . . . . . 66 Ile H . 25255 1 242 . 1 . 1 66 66 ILE C C 13 176.05 . . . . . . . . 66 Ile C . 25255 1 243 . 1 . 1 66 66 ILE CA C 13 61.09 . . . . . . . . 66 Ile CA . 25255 1 244 . 1 . 1 66 66 ILE N N 15 122.18 . . . . . . . . 66 Ile N . 25255 1 245 . 1 . 1 67 67 ALA H H 1 8.35 . . . . . . . . 67 Ala H . 25255 1 246 . 1 . 1 67 67 ALA C C 13 178.18 . . . . . . . . 67 Ala C . 25255 1 247 . 1 . 1 67 67 ALA CA C 13 52.88 . . . . . . . . 67 Ala CA . 25255 1 248 . 1 . 1 67 67 ALA N N 15 127.88 . . . . . . . . 67 Ala N . 25255 1 249 . 1 . 1 68 68 GLY H H 1 8.34 . . . . . . . . 68 Gly H . 25255 1 250 . 1 . 1 68 68 GLY C C 13 174.03 . . . . . . . . 68 Gly C . 25255 1 251 . 1 . 1 68 68 GLY CA C 13 45.37 . . . . . . . . 68 Gly CA . 25255 1 252 . 1 . 1 68 68 GLY N N 15 108.09 . . . . . . . . 68 Gly N . 25255 1 253 . 1 . 1 69 69 HIS H H 1 8.24 . . . . . . . . 69 His H . 25255 1 254 . 1 . 1 69 69 HIS C C 13 174.78 . . . . . . . . 69 His C . 25255 1 255 . 1 . 1 69 69 HIS CA C 13 55.83 . . . . . . . . 69 His CA . 25255 1 256 . 1 . 1 69 69 HIS N N 15 118.59 . . . . . . . . 69 His N . 25255 1 257 . 1 . 1 70 70 LYS H H 1 8.3 . . . . . . . . 70 Lys H . 25255 1 258 . 1 . 1 70 70 LYS C C 13 176.06 . . . . . . . . 70 Lys C . 25255 1 259 . 1 . 1 70 70 LYS CA C 13 56.38 . . . . . . . . 70 Lys CA . 25255 1 260 . 1 . 1 70 70 LYS N N 15 122.88 . . . . . . . . 70 Lys N . 25255 1 261 . 1 . 1 71 71 ALA H H 1 8.37 . . . . . . . . 71 Ala H . 25255 1 262 . 1 . 1 71 71 ALA C C 13 177.65 . . . . . . . . 71 Ala C . 25255 1 263 . 1 . 1 71 71 ALA CA C 13 52.42 . . . . . . . . 71 Ala CA . 25255 1 264 . 1 . 1 71 71 ALA N N 15 125.93 . . . . . . . . 71 Ala N . 25255 1 265 . 1 . 1 72 72 ILE H H 1 8.15 . . . . . . . . 72 Ile H . 25255 1 266 . 1 . 1 72 72 ILE C C 13 176.8 . . . . . . . . 72 Ile C . 25255 1 267 . 1 . 1 72 72 ILE CA C 13 61.45 . . . . . . . . 72 Ile CA . 25255 1 268 . 1 . 1 72 72 ILE N N 15 120.61 . . . . . . . . 72 Ile N . 25255 1 269 . 1 . 1 73 73 GLY H H 1 8.45 . . . . . . . . 73 Gly H . 25255 1 270 . 1 . 1 73 73 GLY C C 13 174.14 . . . . . . . . 73 Gly C . 25255 1 271 . 1 . 1 73 73 GLY CA C 13 45.36 . . . . . . . . 73 Gly CA . 25255 1 272 . 1 . 1 73 73 GLY N N 15 112.71 . . . . . . . . 73 Gly N . 25255 1 273 . 1 . 1 74 74 THR H H 1 8.03 . . . . . . . . 74 Thr H . 25255 1 274 . 1 . 1 74 74 THR C C 13 174.42 . . . . . . . . 74 Thr C . 25255 1 275 . 1 . 1 74 74 THR CA C 13 62.02 . . . . . . . . 74 Thr CA . 25255 1 276 . 1 . 1 74 74 THR N N 15 114.52 . . . . . . . . 74 Thr N . 25255 1 277 . 1 . 1 75 75 VAL H H 1 8.18 . . . . . . . . 75 Val H . 25255 1 278 . 1 . 1 75 75 VAL C C 13 175.79 . . . . . . . . 75 Val C . 25255 1 279 . 1 . 1 75 75 VAL CA C 13 62.35 . . . . . . . . 75 Val CA . 25255 1 280 . 1 . 1 75 75 VAL N N 15 123.19 . . . . . . . . 75 Val N . 25255 1 281 . 1 . 1 76 76 LEU H H 1 8.36 . . . . . . . . 76 Leu H . 25255 1 282 . 1 . 1 76 76 LEU C C 13 176.95 . . . . . . . . 76 Leu C . 25255 1 283 . 1 . 1 76 76 LEU CA C 13 55.08 . . . . . . . . 76 Leu CA . 25255 1 284 . 1 . 1 76 76 LEU N N 15 126.78 . . . . . . . . 76 Leu N . 25255 1 285 . 1 . 1 77 77 VAL H H 1 8.11 . . . . . . . . 77 Val H . 25255 1 286 . 1 . 1 77 77 VAL C C 13 176.17 . . . . . . . . 77 Val C . 25255 1 287 . 1 . 1 77 77 VAL CA C 13 62.16 . . . . . . . . 77 Val CA . 25255 1 288 . 1 . 1 77 77 VAL N N 15 121.57 . . . . . . . . 77 Val N . 25255 1 289 . 1 . 1 78 78 GLY H H 1 8.28 . . . . . . . . 78 Gly H . 25255 1 290 . 1 . 1 78 78 GLY CA C 13 43.89 . . . . . . . . 78 Gly CA . 25255 1 291 . 1 . 1 78 78 GLY N N 15 112.86 . . . . . . . . 78 Gly N . 25255 1 292 . 1 . 1 79 79 PRO C C 13 177.08 . . . . . . . . 79 Pro C . 25255 1 293 . 1 . 1 79 79 PRO CA C 13 63.01 . . . . . . . . 79 Pro CA . 25255 1 294 . 1 . 1 80 80 THR H H 1 8.3 . . . . . . . . 80 Thr H . 25255 1 295 . 1 . 1 80 80 THR CA C 13 60.15 . . . . . . . . 80 Thr CA . 25255 1 296 . 1 . 1 80 80 THR N N 15 117.61 . . . . . . . . 80 Thr N . 25255 1 297 . 1 . 1 81 81 PRO C C 13 176.88 . . . . . . . . 81 Pro C . 25255 1 298 . 1 . 1 81 81 PRO CA C 13 63.28 . . . . . . . . 81 Pro CA . 25255 1 299 . 1 . 1 82 82 VAL H H 1 8.19 . . . . . . . . 82 Val H . 25255 1 300 . 1 . 1 82 82 VAL C C 13 175.87 . . . . . . . . 82 Val C . 25255 1 301 . 1 . 1 82 82 VAL CA C 13 62.53 . . . . . . . . 82 Val CA . 25255 1 302 . 1 . 1 82 82 VAL N N 15 119.97 . . . . . . . . 82 Val N . 25255 1 303 . 1 . 1 83 83 ASN H H 1 8.42 . . . . . . . . 83 Asn H . 25255 1 304 . 1 . 1 83 83 ASN C C 13 174.89 . . . . . . . . 83 Asn C . 25255 1 305 . 1 . 1 83 83 ASN CA C 13 53.18 . . . . . . . . 83 Asn CA . 25255 1 306 . 1 . 1 83 83 ASN N N 15 121.93 . . . . . . . . 83 Asn N . 25255 1 307 . 1 . 1 84 84 ILE H H 1 8.08 . . . . . . . . 84 Ile H . 25255 1 308 . 1 . 1 84 84 ILE C C 13 176.2 . . . . . . . . 84 Ile C . 25255 1 309 . 1 . 1 84 84 ILE CA C 13 61.3 . . . . . . . . 84 Ile CA . 25255 1 310 . 1 . 1 84 84 ILE N N 15 121.55 . . . . . . . . 84 Ile N . 25255 1 311 . 1 . 1 85 85 ILE H H 1 8.15 . . . . . . . . 85 Ile H . 25255 1 312 . 1 . 1 85 85 ILE C C 13 176.83 . . . . . . . . 85 Ile C . 25255 1 313 . 1 . 1 85 85 ILE CA C 13 61.55 . . . . . . . . 85 Ile CA . 25255 1 314 . 1 . 1 85 85 ILE N N 15 124.78 . . . . . . . . 85 Ile N . 25255 1 315 . 1 . 1 86 86 GLY H H 1 8.41 . . . . . . . . 86 Gly H . 25255 1 316 . 1 . 1 86 86 GLY C C 13 174.2 . . . . . . . . 86 Gly C . 25255 1 317 . 1 . 1 86 86 GLY CA C 13 45.52 . . . . . . . . 86 Gly CA . 25255 1 318 . 1 . 1 86 86 GLY N N 15 112.8 . . . . . . . . 86 Gly N . 25255 1 319 . 1 . 1 87 87 ARG H H 1 8.15 . . . . . . . . 87 Arg H . 25255 1 320 . 1 . 1 87 87 ARG C C 13 176.15 . . . . . . . . 87 Arg C . 25255 1 321 . 1 . 1 87 87 ARG CA C 13 56.48 . . . . . . . . 87 Arg CA . 25255 1 322 . 1 . 1 87 87 ARG N N 15 120.61 . . . . . . . . 87 Arg N . 25255 1 323 . 1 . 1 88 88 ASN H H 1 8.5 . . . . . . . . 88 Asn H . 25255 1 324 . 1 . 1 88 88 ASN C C 13 175.2 . . . . . . . . 88 Asn C . 25255 1 325 . 1 . 1 88 88 ASN CA C 13 53.49 . . . . . . . . 88 Asn CA . 25255 1 326 . 1 . 1 88 88 ASN N N 15 119.46 . . . . . . . . 88 Asn N . 25255 1 327 . 1 . 1 89 89 LEU H H 1 8.18 . . . . . . . . 89 Leu H . 25255 1 328 . 1 . 1 89 89 LEU C C 13 177.54 . . . . . . . . 89 Leu C . 25255 1 329 . 1 . 1 89 89 LEU CA C 13 55.61 . . . . . . . . 89 Leu CA . 25255 1 330 . 1 . 1 89 89 LEU N N 15 122.23 . . . . . . . . 89 Leu N . 25255 1 331 . 1 . 1 90 90 LEU H H 1 8.2 . . . . . . . . 90 Leu H . 25255 1 332 . 1 . 1 90 90 LEU C C 13 177.69 . . . . . . . . 90 Leu C . 25255 1 333 . 1 . 1 90 90 LEU CA C 13 55.55 . . . . . . . . 90 Leu CA . 25255 1 334 . 1 . 1 90 90 LEU N N 15 121.82 . . . . . . . . 90 Leu N . 25255 1 335 . 1 . 1 91 91 THR H H 1 7.93 . . . . . . . . 91 Thr H . 25255 1 336 . 1 . 1 91 91 THR C C 13 174.48 . . . . . . . . 91 Thr C . 25255 1 337 . 1 . 1 91 91 THR CA C 13 62.01 . . . . . . . . 91 Thr CA . 25255 1 338 . 1 . 1 91 91 THR N N 15 113.8 . . . . . . . . 91 Thr N . 25255 1 339 . 1 . 1 92 92 GLN H H 1 8.29 . . . . . . . . 92 Gln H . 25255 1 340 . 1 . 1 92 92 GLN C C 13 175.83 . . . . . . . . 92 Gln C . 25255 1 341 . 1 . 1 92 92 GLN CA C 13 55.85 . . . . . . . . 92 Gln CA . 25255 1 342 . 1 . 1 92 92 GLN N N 15 122.65 . . . . . . . . 92 Gln N . 25255 1 343 . 1 . 1 93 93 ILE H H 1 8.18 . . . . . . . . 93 Ile H . 25255 1 344 . 1 . 1 93 93 ILE C C 13 176.78 . . . . . . . . 93 Ile C . 25255 1 345 . 1 . 1 93 93 ILE CA C 13 61.6 . . . . . . . . 93 Ile CA . 25255 1 346 . 1 . 1 93 93 ILE N N 15 122.36 . . . . . . . . 93 Ile N . 25255 1 347 . 1 . 1 94 94 GLY H H 1 8.46 . . . . . . . . 94 Gly H . 25255 1 348 . 1 . 1 94 94 GLY C C 13 172.97 . . . . . . . . 94 Gly C . 25255 1 349 . 1 . 1 94 94 GLY CA C 13 45.34 . . . . . . . . 94 Gly CA . 25255 1 350 . 1 . 1 94 94 GLY N N 15 113.74 . . . . . . . . 94 Gly N . 25255 1 351 . 1 . 1 95 95 ALA H H 1 7.83 . . . . . . . . 95 Ala H . 25255 1 352 . 1 . 1 95 95 ALA CA C 13 53.9 . . . . . . . . 95 Ala CA . 25255 1 353 . 1 . 1 95 95 ALA N N 15 129.41 . . . . . . . . 95 Ala N . 25255 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_Urea4M_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Urea4M_assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25255 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $25C_pH6_lowIS _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' . . . 25255 2 2 '3D HNCA' . . . 25255 2 3 '3D HN(CO)CA' . . . 25255 2 4 '3D HNCO' . . . 25255 2 5 '3D CBCA(CO)NH' . . . 25255 2 6 '3D HNCACB' . . . 25255 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 PRO C C 13 178.39 . . . . . . . . 1 Pro C . 25255 2 2 . 1 . 1 1 1 PRO CA C 13 62.39 . . . . . . . . 1 Pro CA . 25255 2 3 . 1 . 1 2 2 GLN H H 1 8.83 . . . . . . . . 2 Gln H . 25255 2 4 . 1 . 1 2 2 GLN C C 13 175.61 . . . . . . . . 2 Gln C . 25255 2 5 . 1 . 1 2 2 GLN CA C 13 56.13 . . . . . . . . 2 Gln CA . 25255 2 6 . 1 . 1 2 2 GLN N N 15 120.67 . . . . . . . . 2 Gln N . 25255 2 7 . 1 . 1 3 3 ILE H H 1 8.43 . . . . . . . . 3 Ile H . 25255 2 8 . 1 . 1 3 3 ILE C C 13 176.14 . . . . . . . . 3 Ile C . 25255 2 9 . 1 . 1 3 3 ILE CA C 13 61.12 . . . . . . . . 3 Ile CA . 25255 2 10 . 1 . 1 3 3 ILE N N 15 123.44 . . . . . . . . 3 Ile N . 25255 2 11 . 1 . 1 4 4 THR H H 1 8.34 . . . . . . . . 4 Thr H . 25255 2 12 . 1 . 1 4 4 THR C C 13 174.06 . . . . . . . . 4 Thr C . 25255 2 13 . 1 . 1 4 4 THR CA C 13 61.81 . . . . . . . . 4 Thr CA . 25255 2 14 . 1 . 1 4 4 THR N N 15 119.93 . . . . . . . . 4 Thr N . 25255 2 15 . 1 . 1 5 5 LEU H H 1 8.28 . . . . . . . . 5 Leu H . 25255 2 16 . 1 . 1 5 5 LEU C C 13 176.62 . . . . . . . . 5 Leu C . 25255 2 17 . 1 . 1 5 5 LEU CA C 13 55.01 . . . . . . . . 5 Leu CA . 25255 2 18 . 1 . 1 5 5 LEU N N 15 125.72 . . . . . . . . 5 Leu N . 25255 2 19 . 1 . 1 6 6 TRP H H 1 8.15 . . . . . . . . 6 Trp H . 25255 2 20 . 1 . 1 6 6 TRP C C 13 175.84 . . . . . . . . 6 Trp C . 25255 2 21 . 1 . 1 6 6 TRP CA C 13 57.16 . . . . . . . . 6 Trp CA . 25255 2 22 . 1 . 1 6 6 TRP N N 15 122.54 . . . . . . . . 6 Trp N . 25255 2 23 . 1 . 1 7 7 LYS H H 1 8.14 . . . . . . . . 7 Lys H . 25255 2 24 . 1 . 1 7 7 LYS C C 13 175.59 . . . . . . . . 7 Lys C . 25255 2 25 . 1 . 1 7 7 LYS CA C 13 55.85 . . . . . . . . 7 Lys CA . 25255 2 26 . 1 . 1 7 7 LYS N N 15 123.94 . . . . . . . . 7 Lys N . 25255 2 27 . 1 . 1 8 8 ARG H H 1 8.26 . . . . . . . . 8 Arg H . 25255 2 28 . 1 . 1 8 8 ARG CA C 13 54.21 . . . . . . . . 8 Arg CA . 25255 2 29 . 1 . 1 8 8 ARG N N 15 123.9 . . . . . . . . 8 Arg N . 25255 2 30 . 1 . 1 9 9 PRO C C 13 176.49 . . . . . . . . 9 Pro C . 25255 2 31 . 1 . 1 9 9 PRO CA C 13 62.96 . . . . . . . . 9 Pro CA . 25255 2 32 . 1 . 1 10 10 LEU H H 1 8.34 . . . . . . . . 10 Leu H . 25255 2 33 . 1 . 1 10 10 LEU C C 13 177.24 . . . . . . . . 10 Leu C . 25255 2 34 . 1 . 1 10 10 LEU CA C 13 55.32 . . . . . . . . 10 Leu CA . 25255 2 35 . 1 . 1 10 10 LEU N N 15 123.04 . . . . . . . . 10 Leu N . 25255 2 36 . 1 . 1 11 11 VAL H H 1 8.23 . . . . . . . . 11 Val H . 25255 2 37 . 1 . 1 11 11 VAL C C 13 176.01 . . . . . . . . 11 Val C . 25255 2 38 . 1 . 1 11 11 VAL CA C 13 62.05 . . . . . . . . 11 Val CA . 25255 2 39 . 1 . 1 11 11 VAL N N 15 121.68 . . . . . . . . 11 Val N . 25255 2 40 . 1 . 1 12 12 THR H H 1 8.33 . . . . . . . . 12 Thr H . 25255 2 41 . 1 . 1 12 12 THR C C 13 174.17 . . . . . . . . 12 Thr C . 25255 2 42 . 1 . 1 12 12 THR CA C 13 61.74 . . . . . . . . 12 Thr CA . 25255 2 43 . 1 . 1 12 12 THR N N 15 119.21 . . . . . . . . 12 Thr N . 25255 2 44 . 1 . 1 13 13 ILE H H 1 8.27 . . . . . . . . 13 Ile H . 25255 2 45 . 1 . 1 13 13 ILE C C 13 175.59 . . . . . . . . 13 Ile C . 25255 2 46 . 1 . 1 13 13 ILE CA C 13 60.8 . . . . . . . . 13 Ile CA . 25255 2 47 . 1 . 1 13 13 ILE N N 15 124.05 . . . . . . . . 13 Ile N . 25255 2 48 . 1 . 1 14 14 ARG H H 1 8.48 . . . . . . . . 14 Arg H . 25255 2 49 . 1 . 1 14 14 ARG C C 13 175.95 . . . . . . . . 14 Arg C . 25255 2 50 . 1 . 1 14 14 ARG CA C 13 55.83 . . . . . . . . 14 Arg CA . 25255 2 51 . 1 . 1 14 14 ARG N N 15 125.93 . . . . . . . . 14 Arg N . 25255 2 52 . 1 . 1 15 15 ILE H H 1 8.38 . . . . . . . . 15 Ile H . 25255 2 53 . 1 . 1 15 15 ILE C C 13 176.72 . . . . . . . . 15 Ile C . 25255 2 54 . 1 . 1 15 15 ILE CA C 13 61.13 . . . . . . . . 15 Ile CA . 25255 2 55 . 1 . 1 15 15 ILE N N 15 123.87 . . . . . . . . 15 Ile N . 25255 2 56 . 1 . 1 16 16 GLY H H 1 8.59 . . . . . . . . 16 Gly H . 25255 2 57 . 1 . 1 16 16 GLY C C 13 174.62 . . . . . . . . 16 Gly C . 25255 2 58 . 1 . 1 16 16 GLY CA C 13 45.48 . . . . . . . . 16 Gly CA . 25255 2 59 . 1 . 1 16 16 GLY N N 15 113.81 . . . . . . . . 16 Gly N . 25255 2 60 . 1 . 1 17 17 GLY H H 1 8.33 . . . . . . . . 17 Gly H . 25255 2 61 . 1 . 1 17 17 GLY C C 13 174.08 . . . . . . . . 17 Gly C . 25255 2 62 . 1 . 1 17 17 GLY CA C 13 45.29 . . . . . . . . 17 Gly CA . 25255 2 63 . 1 . 1 17 17 GLY N N 15 108.56 . . . . . . . . 17 Gly N . 25255 2 64 . 1 . 1 18 18 GLN H H 1 8.32 . . . . . . . . 18 Gln H . 25255 2 65 . 1 . 1 18 18 GLN C C 13 175.95 . . . . . . . . 18 Gln C . 25255 2 66 . 1 . 1 18 18 GLN CA C 13 55.84 . . . . . . . . 18 Gln CA . 25255 2 67 . 1 . 1 18 18 GLN N N 15 119.8 . . . . . . . . 18 Gln N . 25255 2 68 . 1 . 1 19 19 LEU H H 1 8.38 . . . . . . . . 19 Leu H . 25255 2 69 . 1 . 1 19 19 LEU C C 13 177.27 . . . . . . . . 19 Leu C . 25255 2 70 . 1 . 1 19 19 LEU CA C 13 55.32 . . . . . . . . 19 Leu CA . 25255 2 71 . 1 . 1 19 19 LEU N N 15 123.77 . . . . . . . . 19 Leu N . 25255 2 72 . 1 . 1 20 20 LYS H H 1 8.44 . . . . . . . . 20 Lys H . 25255 2 73 . 1 . 1 20 20 LYS C C 13 176.42 . . . . . . . . 20 Lys C . 25255 2 74 . 1 . 1 20 20 LYS CA C 13 56.48 . . . . . . . . 20 Lys CA . 25255 2 75 . 1 . 1 20 20 LYS N N 15 122.71 . . . . . . . . 20 Lys N . 25255 2 76 . 1 . 1 21 21 GLU H H 1 8.46 . . . . . . . . 21 Glu H . 25255 2 77 . 1 . 1 21 21 GLU C C 13 176.08 . . . . . . . . 21 Glu C . 25255 2 78 . 1 . 1 21 21 GLU CA C 13 56.7 . . . . . . . . 21 Glu CA . 25255 2 79 . 1 . 1 21 21 GLU N N 15 121.98 . . . . . . . . 21 Glu N . 25255 2 80 . 1 . 1 22 22 ALA H H 1 8.32 . . . . . . . . 22 Ala H . 25255 2 81 . 1 . 1 22 22 ALA C C 13 177.37 . . . . . . . . 22 Ala C . 25255 2 82 . 1 . 1 22 22 ALA CA C 13 52.51 . . . . . . . . 22 Ala CA . 25255 2 83 . 1 . 1 22 22 ALA N N 15 124.99 . . . . . . . . 22 Ala N . 25255 2 84 . 1 . 1 23 23 LEU H H 1 8.17 . . . . . . . . 23 Leu H . 25255 2 85 . 1 . 1 23 23 LEU C C 13 177.22 . . . . . . . . 23 Leu C . 25255 2 86 . 1 . 1 23 23 LEU CA C 13 55.07 . . . . . . . . 23 Leu CA . 25255 2 87 . 1 . 1 23 23 LEU N N 15 121.3 . . . . . . . . 23 Leu N . 25255 2 88 . 1 . 1 24 24 LEU H H 1 8.24 . . . . . . . . 24 Leu H . 25255 2 89 . 1 . 1 24 24 LEU C C 13 176.98 . . . . . . . . 24 Leu C . 25255 2 90 . 1 . 1 24 24 LEU CA C 13 55.14 . . . . . . . . 24 Leu CA . 25255 2 91 . 1 . 1 24 24 LEU N N 15 122.79 . . . . . . . . 24 Leu N . 25255 2 92 . 1 . 1 25 25 ASN H H 1 8.52 . . . . . . . . 25 Asn H . 25255 2 93 . 1 . 1 25 25 ASN C C 13 175.51 . . . . . . . . 25 Asn C . 25255 2 94 . 1 . 1 25 25 ASN CA C 13 53.25 . . . . . . . . 25 Asn CA . 25255 2 95 . 1 . 1 25 25 ASN N N 15 119.79 . . . . . . . . 25 Asn N . 25255 2 96 . 1 . 1 26 26 THR H H 1 8.22 . . . . . . . . 26 Thr H . 25255 2 97 . 1 . 1 26 26 THR C C 13 175.23 . . . . . . . . 26 Thr C . 25255 2 98 . 1 . 1 26 26 THR CA C 13 62.02 . . . . . . . . 26 Thr CA . 25255 2 99 . 1 . 1 26 26 THR N N 15 113.75 . . . . . . . . 26 Thr N . 25255 2 100 . 1 . 1 27 27 GLY H H 1 8.45 . . . . . . . . 27 Gly H . 25255 2 101 . 1 . 1 27 27 GLY C C 13 173.85 . . . . . . . . 27 Gly C . 25255 2 102 . 1 . 1 27 27 GLY CA C 13 45.32 . . . . . . . . 27 Gly CA . 25255 2 103 . 1 . 1 27 27 GLY N N 15 111.01 . . . . . . . . 27 Gly N . 25255 2 104 . 1 . 1 28 28 ALA H H 1 8.12 . . . . . . . . 28 Ala H . 25255 2 105 . 1 . 1 28 28 ALA C C 13 177.4 . . . . . . . . 28 Ala C . 25255 2 106 . 1 . 1 28 28 ALA CA C 13 52.6 . . . . . . . . 28 Ala CA . 25255 2 107 . 1 . 1 28 28 ALA N N 15 123.58 . . . . . . . . 28 Ala N . 25255 2 108 . 1 . 1 29 29 ASP H H 1 8.33 . . . . . . . . 29 Asp H . 25255 2 109 . 1 . 1 29 29 ASP C C 13 176.07 . . . . . . . . 29 Asp C . 25255 2 110 . 1 . 1 29 29 ASP CA C 13 54.32 . . . . . . . . 29 Asp CA . 25255 2 111 . 1 . 1 29 29 ASP N N 15 119.27 . . . . . . . . 29 Asp N . 25255 2 112 . 1 . 1 30 30 ASP H H 1 8.31 . . . . . . . . 30 Asp H . 25255 2 113 . 1 . 1 30 30 ASP C C 13 176.57 . . . . . . . . 30 Asp C . 25255 2 114 . 1 . 1 30 30 ASP CA C 13 54.56 . . . . . . . . 30 Asp CA . 25255 2 115 . 1 . 1 30 30 ASP N N 15 120.91 . . . . . . . . 30 Asp N . 25255 2 116 . 1 . 1 31 31 THR H H 1 8.17 . . . . . . . . 31 Thr H . 25255 2 117 . 1 . 1 31 31 THR C C 13 174.77 . . . . . . . . 31 Thr C . 25255 2 118 . 1 . 1 31 31 THR CA C 13 62.86 . . . . . . . . 31 Thr CA . 25255 2 119 . 1 . 1 31 31 THR N N 15 114.47 . . . . . . . . 31 Thr N . 25255 2 120 . 1 . 1 32 32 VAL H H 1 8.05 . . . . . . . . 32 Val H . 25255 2 121 . 1 . 1 32 32 VAL C C 13 176.13 . . . . . . . . 32 Val C . 25255 2 122 . 1 . 1 32 32 VAL CA C 13 62.67 . . . . . . . . 32 Val CA . 25255 2 123 . 1 . 1 32 32 VAL N N 15 122.81 . . . . . . . . 32 Val N . 25255 2 124 . 1 . 1 33 33 LEU H H 1 8.24 . . . . . . . . 33 Leu H . 25255 2 125 . 1 . 1 33 33 LEU C C 13 177.47 . . . . . . . . 33 Leu C . 25255 2 126 . 1 . 1 33 33 LEU CA C 13 55.42 . . . . . . . . 33 Leu CA . 25255 2 127 . 1 . 1 33 33 LEU N N 15 125.73 . . . . . . . . 33 Leu N . 25255 2 128 . 1 . 1 34 34 GLU H H 1 8.39 . . . . . . . . 34 Glu H . 25255 2 129 . 1 . 1 34 34 GLU C C 13 176.67 . . . . . . . . 34 Glu C . 25255 2 130 . 1 . 1 34 34 GLU CA C 13 56.89 . . . . . . . . 34 Glu CA . 25255 2 131 . 1 . 1 34 34 GLU N N 15 121.65 . . . . . . . . 34 Glu N . 25255 2 132 . 1 . 1 35 35 GLU H H 1 8.39 . . . . . . . . 35 Glu H . 25255 2 133 . 1 . 1 35 35 GLU C C 13 176.64 . . . . . . . . 35 Glu C . 25255 2 134 . 1 . 1 35 35 GLU CA C 13 56.95 . . . . . . . . 35 Glu CA . 25255 2 135 . 1 . 1 35 35 GLU N N 15 121.42 . . . . . . . . 35 Glu N . 25255 2 136 . 1 . 1 36 36 MET H H 1 8.3 . . . . . . . . 36 Met H . 25255 2 137 . 1 . 1 36 36 MET C C 13 175.93 . . . . . . . . 36 Met C . 25255 2 138 . 1 . 1 36 36 MET CA C 13 55.97 . . . . . . . . 36 Met CA . 25255 2 139 . 1 . 1 36 36 MET N N 15 120.26 . . . . . . . . 36 Met N . 25255 2 140 . 1 . 1 37 37 ASN H H 1 8.42 . . . . . . . . 37 Asn H . 25255 2 141 . 1 . 1 37 37 ASN C C 13 174.66 . . . . . . . . 37 Asn C . 25255 2 142 . 1 . 1 37 37 ASN CA C 13 53.18 . . . . . . . . 37 Asn CA . 25255 2 143 . 1 . 1 37 37 ASN N N 15 119.1 . . . . . . . . 37 Asn N . 25255 2 144 . 1 . 1 38 38 LEU H H 1 8 . . . . . . . . 38 Leu H . 25255 2 145 . 1 . 1 38 38 LEU CA C 13 53.28 . . . . . . . . 38 Leu CA . 25255 2 146 . 1 . 1 38 38 LEU N N 15 123.05 . . . . . . . . 38 Leu N . 25255 2 147 . 1 . 1 39 39 PRO C C 13 177.56 . . . . . . . . 39 Pro C . 25255 2 148 . 1 . 1 39 39 PRO CA C 13 63.57 . . . . . . . . 39 Pro CA . 25255 2 149 . 1 . 1 40 40 GLY H H 1 8.4 . . . . . . . . 40 Gly H . 25255 2 150 . 1 . 1 40 40 GLY C C 13 174.19 . . . . . . . . 40 Gly C . 25255 2 151 . 1 . 1 40 40 GLY CA C 13 45.43 . . . . . . . . 40 Gly CA . 25255 2 152 . 1 . 1 40 40 GLY N N 15 109 . . . . . . . . 40 Gly N . 25255 2 153 . 1 . 1 41 41 LYS H H 1 8.02 . . . . . . . . 41 Lys H . 25255 2 154 . 1 . 1 41 41 LYS C C 13 176.21 . . . . . . . . 41 Lys C . 25255 2 155 . 1 . 1 41 41 LYS CA C 13 56.4 . . . . . . . . 41 Lys CA . 25255 2 156 . 1 . 1 41 41 LYS N N 15 120.45 . . . . . . . . 41 Lys N . 25255 2 157 . 1 . 1 42 42 TRP H H 1 8.18 . . . . . . . . 42 Trp H . 25255 2 158 . 1 . 1 42 42 TRP C C 13 175.62 . . . . . . . . 42 Trp C . 25255 2 159 . 1 . 1 42 42 TRP CA C 13 57.51 . . . . . . . . 42 Trp CA . 25255 2 160 . 1 . 1 42 42 TRP N N 15 122.15 . . . . . . . . 42 Trp N . 25255 2 161 . 1 . 1 43 43 LYS H H 1 7.94 . . . . . . . . 43 Lys H . 25255 2 162 . 1 . 1 43 43 LYS CA C 13 53.86 . . . . . . . . 43 Lys CA . 25255 2 163 . 1 . 1 43 43 LYS N N 15 124.99 . . . . . . . . 43 Lys N . 25255 2 164 . 1 . 1 44 44 PRO C C 13 176.62 . . . . . . . . 44 Pro C . 25255 2 165 . 1 . 1 44 44 PRO CA C 13 62.79 . . . . . . . . 44 Pro CA . 25255 2 166 . 1 . 1 45 45 LYS H H 1 8.43 . . . . . . . . 45 Lys H . 25255 2 167 . 1 . 1 45 45 LYS C C 13 176.53 . . . . . . . . 45 Lys C . 25255 2 168 . 1 . 1 45 45 LYS CA C 13 56.53 . . . . . . . . 45 Lys CA . 25255 2 169 . 1 . 1 45 45 LYS N N 15 121.65 . . . . . . . . 45 Lys N . 25255 2 170 . 1 . 1 46 46 MET H H 1 8.44 . . . . . . . . 46 Met H . 25255 2 171 . 1 . 1 46 46 MET C C 13 175.94 . . . . . . . . 46 Met C . 25255 2 172 . 1 . 1 46 46 MET CA C 13 55.35 . . . . . . . . 46 Met CA . 25255 2 173 . 1 . 1 46 46 MET N N 15 122.33 . . . . . . . . 46 Met N . 25255 2 174 . 1 . 1 47 47 ILE H H 1 8.32 . . . . . . . . 47 Ile H . 25255 2 175 . 1 . 1 47 47 ILE C C 13 176.53 . . . . . . . . 47 Ile C . 25255 2 176 . 1 . 1 47 47 ILE CA C 13 61.21 . . . . . . . . 47 Ile CA . 25255 2 177 . 1 . 1 47 47 ILE N N 15 123.04 . . . . . . . . 47 Ile N . 25255 2 178 . 1 . 1 48 48 GLY H H 1 8.5 . . . . . . . . 48 Gly H . 25255 2 179 . 1 . 1 48 48 GLY C C 13 174.37 . . . . . . . . 48 Gly C . 25255 2 180 . 1 . 1 48 48 GLY CA C 13 45.22 . . . . . . . . 48 Gly CA . 25255 2 181 . 1 . 1 48 48 GLY N N 15 113.01 . . . . . . . . 48 Gly N . 25255 2 182 . 1 . 1 49 49 GLY H H 1 8.24 . . . . . . . . 49 Gly H . 25255 2 183 . 1 . 1 49 49 GLY C C 13 174.23 . . . . . . . . 49 Gly C . 25255 2 184 . 1 . 1 49 49 GLY CA C 13 45.25 . . . . . . . . 49 Gly CA . 25255 2 185 . 1 . 1 49 49 GLY N N 15 108.54 . . . . . . . . 49 Gly N . 25255 2 186 . 1 . 1 50 50 ILE H H 1 8.13 . . . . . . . . 50 Ile H . 25255 2 187 . 1 . 1 50 50 ILE C C 13 176.89 . . . . . . . . 50 Ile C . 25255 2 188 . 1 . 1 50 50 ILE CA C 13 61.48 . . . . . . . . 50 Ile CA . 25255 2 189 . 1 . 1 50 50 ILE N N 15 119.69 . . . . . . . . 50 Ile N . 25255 2 190 . 1 . 1 51 51 GLY H H 1 8.5 . . . . . . . . 51 Gly H . 25255 2 191 . 1 . 1 51 51 GLY C C 13 174.42 . . . . . . . . 51 Gly C . 25255 2 192 . 1 . 1 51 51 GLY CA C 13 45.32 . . . . . . . . 51 Gly CA . 25255 2 193 . 1 . 1 51 51 GLY N N 15 112.57 . . . . . . . . 51 Gly N . 25255 2 194 . 1 . 1 52 52 GLY H H 1 8.15 . . . . . . . . 52 Gly H . 25255 2 195 . 1 . 1 52 52 GLY C C 13 173.7 . . . . . . . . 52 Gly C . 25255 2 196 . 1 . 1 52 52 GLY CA C 13 45.16 . . . . . . . . 52 Gly CA . 25255 2 197 . 1 . 1 52 52 GLY N N 15 108.36 . . . . . . . . 52 Gly N . 25255 2 198 . 1 . 1 53 53 PHE H H 1 8.11 . . . . . . . . 53 Phe H . 25255 2 199 . 1 . 1 53 53 PHE C C 13 175.53 . . . . . . . . 53 Phe C . 25255 2 200 . 1 . 1 53 53 PHE CA C 13 57.76 . . . . . . . . 53 Phe CA . 25255 2 201 . 1 . 1 53 53 PHE N N 15 119.95 . . . . . . . . 53 Phe N . 25255 2 202 . 1 . 1 54 54 ILE H H 1 8.12 . . . . . . . . 54 Ile H . 25255 2 203 . 1 . 1 54 54 ILE C C 13 175.58 . . . . . . . . 54 Ile C . 25255 2 204 . 1 . 1 54 54 ILE CA C 13 60.81 . . . . . . . . 54 Ile CA . 25255 2 205 . 1 . 1 54 54 ILE N N 15 123.35 . . . . . . . . 54 Ile N . 25255 2 206 . 1 . 1 55 55 LYS H H 1 8.37 . . . . . . . . 55 Lys H . 25255 2 207 . 1 . 1 55 55 LYS C C 13 176.28 . . . . . . . . 55 Lys C . 25255 2 208 . 1 . 1 55 55 LYS CA C 13 56.27 . . . . . . . . 55 Lys CA . 25255 2 209 . 1 . 1 55 55 LYS N N 15 126.36 . . . . . . . . 55 Lys N . 25255 2 210 . 1 . 1 56 56 VAL H H 1 8.21 . . . . . . . . 56 Val H . 25255 2 211 . 1 . 1 56 56 VAL C C 13 175.95 . . . . . . . . 56 Val C . 25255 2 212 . 1 . 1 56 56 VAL CA C 13 62.2 . . . . . . . . 56 Val CA . 25255 2 213 . 1 . 1 56 56 VAL N N 15 122.28 . . . . . . . . 56 Val N . 25255 2 214 . 1 . 1 57 57 ARG H H 1 8.46 . . . . . . . . 57 Arg H . 25255 2 215 . 1 . 1 57 57 ARG C C 13 175.81 . . . . . . . . 57 Arg C . 25255 2 216 . 1 . 1 57 57 ARG CA C 13 56.14 . . . . . . . . 57 Arg CA . 25255 2 217 . 1 . 1 57 57 ARG N N 15 125.22 . . . . . . . . 57 Arg N . 25255 2 218 . 1 . 1 58 58 GLN H H 1 8.41 . . . . . . . . 58 Gln H . 25255 2 219 . 1 . 1 58 58 GLN C C 13 175.6 . . . . . . . . 58 Gln C . 25255 2 220 . 1 . 1 58 58 GLN CA C 13 55.89 . . . . . . . . 58 Gln CA . 25255 2 221 . 1 . 1 58 58 GLN N N 15 122.2 . . . . . . . . 58 Gln N . 25255 2 222 . 1 . 1 59 59 TYR H H 1 8.29 . . . . . . . . 59 Tyr H . 25255 2 223 . 1 . 1 59 59 TYR C C 13 175.51 . . . . . . . . 59 Tyr C . 25255 2 224 . 1 . 1 59 59 TYR CA C 13 57.84 . . . . . . . . 59 Tyr CA . 25255 2 225 . 1 . 1 59 59 TYR N N 15 120.97 . . . . . . . . 59 Tyr N . 25255 2 226 . 1 . 1 60 60 ASP H H 1 8.34 . . . . . . . . 60 Asp H . 25255 2 227 . 1 . 1 60 60 ASP C C 13 175.87 . . . . . . . . 60 Asp C . 25255 2 228 . 1 . 1 60 60 ASP CA C 13 54.45 . . . . . . . . 60 Asp CA . 25255 2 229 . 1 . 1 60 60 ASP N N 15 121.5 . . . . . . . . 60 Asp N . 25255 2 230 . 1 . 1 61 61 GLN H H 1 8.21 . . . . . . . . 61 Gln H . 25255 2 231 . 1 . 1 61 61 GLN C C 13 175.58 . . . . . . . . 61 Gln C . 25255 2 232 . 1 . 1 61 61 GLN CA C 13 55.67 . . . . . . . . 61 Gln CA . 25255 2 233 . 1 . 1 61 61 GLN N N 15 119.96 . . . . . . . . 61 Gln N . 25255 2 234 . 1 . 1 62 62 ILE H H 1 8.24 . . . . . . . . 62 Ile H . 25255 2 235 . 1 . 1 62 62 ILE CA C 13 58.92 . . . . . . . . 62 Ile CA . 25255 2 236 . 1 . 1 62 62 ILE N N 15 123.93 . . . . . . . . 62 Ile N . 25255 2 237 . 1 . 1 63 63 PRO C C 13 176.84 . . . . . . . . 63 Pro C . 25255 2 238 . 1 . 1 63 63 PRO CA C 13 63.21 . . . . . . . . 63 Pro CA . 25255 2 239 . 1 . 1 64 64 VAL H H 1 8.21 . . . . . . . . 64 Val H . 25255 2 240 . 1 . 1 64 64 VAL CA C 13 62.69 . . . . . . . . 64 Val CA . 25255 2 241 . 1 . 1 64 64 VAL N N 15 120.85 . . . . . . . . 64 Val N . 25255 2 242 . 1 . 1 65 65 GLU H H 1 8.53 . . . . . . . . 65 Glu H . 25255 2 243 . 1 . 1 65 65 GLU C C 13 176.3 . . . . . . . . 65 Glu C . 25255 2 244 . 1 . 1 65 65 GLU CA C 13 56.55 . . . . . . . . 65 Glu CA . 25255 2 245 . 1 . 1 65 65 GLU N N 15 124.27 . . . . . . . . 65 Glu N . 25255 2 246 . 1 . 1 66 66 ILE H H 1 8.19 . . . . . . . . 66 Ile H . 25255 2 247 . 1 . 1 66 66 ILE C C 13 176.07 . . . . . . . . 66 Ile C . 25255 2 248 . 1 . 1 66 66 ILE CA C 13 61.09 . . . . . . . . 66 Ile CA . 25255 2 249 . 1 . 1 66 66 ILE N N 15 122.4 . . . . . . . . 66 Ile N . 25255 2 250 . 1 . 1 67 67 ALA H H 1 8.37 . . . . . . . . 67 Ala H . 25255 2 251 . 1 . 1 67 67 ALA C C 13 178.12 . . . . . . . . 67 Ala C . 25255 2 252 . 1 . 1 67 67 ALA CA C 13 52.87 . . . . . . . . 67 Ala CA . 25255 2 253 . 1 . 1 67 67 ALA N N 15 127.85 . . . . . . . . 67 Ala N . 25255 2 254 . 1 . 1 68 68 GLY H H 1 8.35 . . . . . . . . 68 Gly H . 25255 2 255 . 1 . 1 68 68 GLY C C 13 173.98 . . . . . . . . 68 Gly C . 25255 2 256 . 1 . 1 68 68 GLY CA C 13 45.28 . . . . . . . . 68 Gly CA . 25255 2 257 . 1 . 1 68 68 GLY N N 15 107.84 . . . . . . . . 68 Gly N . 25255 2 258 . 1 . 1 69 69 HIS H H 1 8.3 . . . . . . . . 69 His H . 25255 2 259 . 1 . 1 69 69 HIS C C 13 174.5 . . . . . . . . 69 His C . 25255 2 260 . 1 . 1 69 69 HIS CA C 13 55.47 . . . . . . . . 69 His CA . 25255 2 261 . 1 . 1 69 69 HIS N N 15 118.29 . . . . . . . . 69 His N . 25255 2 262 . 1 . 1 70 70 LYS H H 1 8.42 . . . . . . . . 70 Lys H . 25255 2 263 . 1 . 1 70 70 LYS C C 13 176.01 . . . . . . . . 70 Lys C . 25255 2 264 . 1 . 1 70 70 LYS CA C 13 56.29 . . . . . . . . 70 Lys CA . 25255 2 265 . 1 . 1 70 70 LYS N N 15 123.23 . . . . . . . . 70 Lys N . 25255 2 266 . 1 . 1 71 71 ALA H H 1 8.44 . . . . . . . . 71 Ala H . 25255 2 267 . 1 . 1 71 71 ALA C C 13 177.54 . . . . . . . . 71 Ala C . 25255 2 268 . 1 . 1 71 71 ALA CA C 13 52.38 . . . . . . . . 71 Ala CA . 25255 2 269 . 1 . 1 71 71 ALA N N 15 126.25 . . . . . . . . 71 Ala N . 25255 2 270 . 1 . 1 72 72 ILE H H 1 8.22 . . . . . . . . 72 Ile H . 25255 2 271 . 1 . 1 72 72 ILE C C 13 176.71 . . . . . . . . 72 Ile C . 25255 2 272 . 1 . 1 72 72 ILE CA C 13 61.31 . . . . . . . . 72 Ile CA . 25255 2 273 . 1 . 1 72 72 ILE N N 15 120.8 . . . . . . . . 72 Ile N . 25255 2 274 . 1 . 1 73 73 GLY H H 1 8.45 . . . . . . . . 73 Gly H . 25255 2 275 . 1 . 1 73 73 GLY C C 13 174.04 . . . . . . . . 73 Gly C . 25255 2 276 . 1 . 1 73 73 GLY CA C 13 45.26 . . . . . . . . 73 Gly CA . 25255 2 277 . 1 . 1 73 73 GLY N N 15 112.66 . . . . . . . . 73 Gly N . 25255 2 278 . 1 . 1 74 74 THR H H 1 8.08 . . . . . . . . 74 Thr H . 25255 2 279 . 1 . 1 74 74 THR C C 13 174.4 . . . . . . . . 74 Thr C . 25255 2 280 . 1 . 1 74 74 THR CA C 13 61.96 . . . . . . . . 74 Thr CA . 25255 2 281 . 1 . 1 74 74 THR N N 15 114.56 . . . . . . . . 74 Thr N . 25255 2 282 . 1 . 1 75 75 VAL H H 1 8.23 . . . . . . . . 75 Val H . 25255 2 283 . 1 . 1 75 75 VAL C C 13 175.71 . . . . . . . . 75 Val C . 25255 2 284 . 1 . 1 75 75 VAL CA C 13 62.29 . . . . . . . . 75 Val CA . 25255 2 285 . 1 . 1 75 75 VAL N N 15 123.34 . . . . . . . . 75 Val N . 25255 2 286 . 1 . 1 76 76 LEU H H 1 8.4 . . . . . . . . 76 Leu H . 25255 2 287 . 1 . 1 76 76 LEU C C 13 176.89 . . . . . . . . 76 Leu C . 25255 2 288 . 1 . 1 76 76 LEU CA C 13 54.99 . . . . . . . . 76 Leu CA . 25255 2 289 . 1 . 1 76 76 LEU N N 15 126.99 . . . . . . . . 76 Leu N . 25255 2 290 . 1 . 1 77 77 VAL H H 1 8.2 . . . . . . . . 77 Val H . 25255 2 291 . 1 . 1 77 77 VAL C C 13 176.14 . . . . . . . . 77 Val C . 25255 2 292 . 1 . 1 77 77 VAL CA C 13 62.11 . . . . . . . . 77 Val CA . 25255 2 293 . 1 . 1 77 77 VAL N N 15 121.75 . . . . . . . . 77 Val N . 25255 2 294 . 1 . 1 78 78 GLY H H 1 8.31 . . . . . . . . 78 Gly H . 25255 2 295 . 1 . 1 78 78 GLY CA C 13 44.48 . . . . . . . . 78 Gly CA . 25255 2 296 . 1 . 1 78 78 GLY N N 15 112.76 . . . . . . . . 78 Gly N . 25255 2 297 . 1 . 1 79 79 PRO C C 13 177.04 . . . . . . . . 79 Pro C . 25255 2 298 . 1 . 1 79 79 PRO CA C 13 62.99 . . . . . . . . 79 Pro CA . 25255 2 299 . 1 . 1 80 80 THR H H 1 8.32 . . . . . . . . 80 Thr H . 25255 2 300 . 1 . 1 80 80 THR CA C 13 60.19 . . . . . . . . 80 Thr CA . 25255 2 301 . 1 . 1 80 80 THR N N 15 117.52 . . . . . . . . 80 Thr N . 25255 2 302 . 1 . 1 81 81 PRO C C 13 176.78 . . . . . . . . 81 Pro C . 25255 2 303 . 1 . 1 81 81 PRO CA C 13 63.23 . . . . . . . . 81 Pro CA . 25255 2 304 . 1 . 1 82 82 VAL H H 1 8.21 . . . . . . . . 82 Val H . 25255 2 305 . 1 . 1 82 82 VAL C C 13 175.82 . . . . . . . . 82 Val C . 25255 2 306 . 1 . 1 82 82 VAL CA C 13 62.39 . . . . . . . . 82 Val CA . 25255 2 307 . 1 . 1 82 82 VAL N N 15 120.03 . . . . . . . . 82 Val N . 25255 2 308 . 1 . 1 83 83 ASN H H 1 8.48 . . . . . . . . 83 Asn H . 25255 2 309 . 1 . 1 83 83 ASN C C 13 174.84 . . . . . . . . 83 Asn C . 25255 2 310 . 1 . 1 83 83 ASN CA C 13 53.14 . . . . . . . . 83 Asn CA . 25255 2 311 . 1 . 1 83 83 ASN N N 15 122.22 . . . . . . . . 83 Asn N . 25255 2 312 . 1 . 1 84 84 ILE H H 1 8.14 . . . . . . . . 84 Ile H . 25255 2 313 . 1 . 1 84 84 ILE C C 13 176.11 . . . . . . . . 84 Ile C . 25255 2 314 . 1 . 1 84 84 ILE CA C 13 61.14 . . . . . . . . 84 Ile CA . 25255 2 315 . 1 . 1 84 84 ILE N N 15 121.81 . . . . . . . . 84 Ile N . 25255 2 316 . 1 . 1 85 85 ILE H H 1 8.22 . . . . . . . . 85 Ile H . 25255 2 317 . 1 . 1 85 85 ILE C C 13 176.72 . . . . . . . . 85 Ile C . 25255 2 318 . 1 . 1 85 85 ILE CA C 13 61.38 . . . . . . . . 85 Ile CA . 25255 2 319 . 1 . 1 85 85 ILE N N 15 125.1 . . . . . . . . 85 Ile N . 25255 2 320 . 1 . 1 86 86 GLY H H 1 8.44 . . . . . . . . 86 Gly H . 25255 2 321 . 1 . 1 86 86 GLY C C 13 173.98 . . . . . . . . 86 Gly C . 25255 2 322 . 1 . 1 86 86 GLY CA C 13 45.33 . . . . . . . . 86 Gly CA . 25255 2 323 . 1 . 1 86 86 GLY N N 15 112.9 . . . . . . . . 86 Gly N . 25255 2 324 . 1 . 1 87 87 ARG H H 1 8.18 . . . . . . . . 87 Arg H . 25255 2 325 . 1 . 1 87 87 ARG C C 13 175.97 . . . . . . . . 87 Arg C . 25255 2 326 . 1 . 1 87 87 ARG CA C 13 56.22 . . . . . . . . 87 Arg CA . 25255 2 327 . 1 . 1 87 87 ARG N N 15 120.45 . . . . . . . . 87 Arg N . 25255 2 328 . 1 . 1 88 88 ASN H H 1 8.56 . . . . . . . . 88 Asn H . 25255 2 329 . 1 . 1 88 88 ASN C C 13 175.12 . . . . . . . . 88 Asn C . 25255 2 330 . 1 . 1 88 88 ASN CA C 13 53.37 . . . . . . . . 88 Asn CA . 25255 2 331 . 1 . 1 88 88 ASN N N 15 119.85 . . . . . . . . 88 Asn N . 25255 2 332 . 1 . 1 89 89 LEU H H 1 8.27 . . . . . . . . 89 Leu H . 25255 2 333 . 1 . 1 89 89 LEU C C 13 177.3 . . . . . . . . 89 Leu C . 25255 2 334 . 1 . 1 89 89 LEU CA C 13 55.43 . . . . . . . . 89 Leu CA . 25255 2 335 . 1 . 1 89 89 LEU N N 15 122.75 . . . . . . . . 89 Leu N . 25255 2 336 . 1 . 1 90 90 LEU H H 1 8.27 . . . . . . . . 90 Leu H . 25255 2 337 . 1 . 1 90 90 LEU C C 13 177.54 . . . . . . . . 90 Leu C . 25255 2 338 . 1 . 1 90 90 LEU CA C 13 55.36 . . . . . . . . 90 Leu CA . 25255 2 339 . 1 . 1 90 90 LEU N N 15 122.23 . . . . . . . . 90 Leu N . 25255 2 340 . 1 . 1 91 91 THR H H 1 8.02 . . . . . . . . 91 Thr H . 25255 2 341 . 1 . 1 91 91 THR C C 13 174.37 . . . . . . . . 91 Thr C . 25255 2 342 . 1 . 1 91 91 THR CA C 13 61.91 . . . . . . . . 91 Thr CA . 25255 2 343 . 1 . 1 91 91 THR N N 15 114.33 . . . . . . . . 91 Thr N . 25255 2 344 . 1 . 1 92 92 GLN H H 1 8.35 . . . . . . . . 92 Gln H . 25255 2 345 . 1 . 1 92 92 GLN C C 13 175.69 . . . . . . . . 92 Gln C . 25255 2 346 . 1 . 1 92 92 GLN CA C 13 55.79 . . . . . . . . 92 Gln CA . 25255 2 347 . 1 . 1 92 92 GLN N N 15 122.83 . . . . . . . . 92 Gln N . 25255 2 348 . 1 . 1 93 93 ILE H H 1 8.26 . . . . . . . . 93 Ile H . 25255 2 349 . 1 . 1 93 93 ILE C C 13 176.68 . . . . . . . . 93 Ile C . 25255 2 350 . 1 . 1 93 93 ILE CA C 13 61.49 . . . . . . . . 93 Ile CA . 25255 2 351 . 1 . 1 93 93 ILE N N 15 122.57 . . . . . . . . 93 Ile N . 25255 2 352 . 1 . 1 94 94 GLY H H 1 8.47 . . . . . . . . 94 Gly H . 25255 2 353 . 1 . 1 94 94 GLY C C 13 172.82 . . . . . . . . 94 Gly C . 25255 2 354 . 1 . 1 94 94 GLY CA C 13 45.31 . . . . . . . . 94 Gly CA . 25255 2 355 . 1 . 1 94 94 GLY N N 15 113.76 . . . . . . . . 94 Gly N . 25255 2 356 . 1 . 1 95 95 ALA H H 1 7.83 . . . . . . . . 95 Ala H . 25255 2 357 . 1 . 1 95 95 ALA CA C 13 53.83 . . . . . . . . 95 Ala CA . 25255 2 358 . 1 . 1 95 95 ALA N N 15 129.28 . . . . . . . . 95 Ala N . 25255 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_Urea8M_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Urea8M_assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25255 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $25C_pH6_lowIS _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' . . . 25255 3 8 '3D HNCA' . . . 25255 3 9 '3D HN(CO)CA' . . . 25255 3 10 '3D HNCO' . . . 25255 3 11 '3D CBCA(CO)NH' . . . 25255 3 12 '3D HNCACB' . . . 25255 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 PRO C C 13 178.44 . . . . . . . . 1 Pro C . 25255 3 2 . 1 . 1 1 1 PRO CA C 13 62.45 . . . . . . . . 1 Pro CA . 25255 3 3 . 1 . 1 2 2 GLN H H 1 8.87 . . . . . . . . 2 Gln H . 25255 3 4 . 1 . 1 2 2 GLN C C 13 175.58 . . . . . . . . 2 Gln C . 25255 3 5 . 1 . 1 2 2 GLN CA C 13 56.17 . . . . . . . . 2 Gln CA . 25255 3 6 . 1 . 1 2 2 GLN N N 15 120.84 . . . . . . . . 2 Gln N . 25255 3 7 . 1 . 1 3 3 ILE H H 1 8.46 . . . . . . . . 3 Ile H . 25255 3 8 . 1 . 1 3 3 ILE C C 13 176.14 . . . . . . . . 3 Ile C . 25255 3 9 . 1 . 1 3 3 ILE CA C 13 61.12 . . . . . . . . 3 Ile CA . 25255 3 10 . 1 . 1 3 3 ILE N N 15 123.39 . . . . . . . . 3 Ile N . 25255 3 11 . 1 . 1 4 4 THR H H 1 8.38 . . . . . . . . 4 Thr H . 25255 3 12 . 1 . 1 4 4 THR C C 13 174.07 . . . . . . . . 4 Thr C . 25255 3 13 . 1 . 1 4 4 THR CA C 13 61.84 . . . . . . . . 4 Thr CA . 25255 3 14 . 1 . 1 4 4 THR N N 15 120 . . . . . . . . 4 Thr N . 25255 3 15 . 1 . 1 5 5 LEU H H 1 8.32 . . . . . . . . 5 Leu H . 25255 3 16 . 1 . 1 5 5 LEU C C 13 176.62 . . . . . . . . 5 Leu C . 25255 3 17 . 1 . 1 5 5 LEU CA C 13 54.94 . . . . . . . . 5 Leu CA . 25255 3 18 . 1 . 1 5 5 LEU N N 15 125.83 . . . . . . . . 5 Leu N . 25255 3 19 . 1 . 1 6 6 TRP H H 1 8.22 . . . . . . . . 6 Trp H . 25255 3 20 . 1 . 1 6 6 TRP C C 13 175.96 . . . . . . . . 6 Trp C . 25255 3 21 . 1 . 1 6 6 TRP CA C 13 57.09 . . . . . . . . 6 Trp CA . 25255 3 22 . 1 . 1 6 6 TRP N N 15 122.73 . . . . . . . . 6 Trp N . 25255 3 23 . 1 . 1 7 7 LYS H H 1 8.26 . . . . . . . . 7 Lys H . 25255 3 24 . 1 . 1 7 7 LYS C C 13 175.77 . . . . . . . . 7 Lys C . 25255 3 25 . 1 . 1 7 7 LYS CA C 13 55.94 . . . . . . . . 7 Lys CA . 25255 3 26 . 1 . 1 7 7 LYS N N 15 124.02 . . . . . . . . 7 Lys N . 25255 3 27 . 1 . 1 8 8 ARG H H 1 8.36 . . . . . . . . 8 Arg H . 25255 3 28 . 1 . 1 8 8 ARG N N 15 123.95 . . . . . . . . 8 Arg N . 25255 3 29 . 1 . 1 9 9 PRO C C 13 176.47 . . . . . . . . 9 Pro C . 25255 3 30 . 1 . 1 9 9 PRO CA C 13 63 . . . . . . . . 9 Pro CA . 25255 3 31 . 1 . 1 10 10 LEU H H 1 8.37 . . . . . . . . 10 Leu H . 25255 3 32 . 1 . 1 10 10 LEU C C 13 177.24 . . . . . . . . 10 Leu C . 25255 3 33 . 1 . 1 10 10 LEU CA C 13 55.33 . . . . . . . . 10 Leu CA . 25255 3 34 . 1 . 1 10 10 LEU N N 15 123.15 . . . . . . . . 10 Leu N . 25255 3 35 . 1 . 1 11 11 VAL H H 1 8.29 . . . . . . . . 11 Val H . 25255 3 36 . 1 . 1 11 11 VAL C C 13 176.08 . . . . . . . . 11 Val C . 25255 3 37 . 1 . 1 11 11 VAL CA C 13 62.06 . . . . . . . . 11 Val CA . 25255 3 38 . 1 . 1 11 11 VAL N N 15 121.81 . . . . . . . . 11 Val N . 25255 3 39 . 1 . 1 12 12 THR H H 1 8.36 . . . . . . . . 12 Thr H . 25255 3 40 . 1 . 1 12 12 THR C C 13 174.21 . . . . . . . . 12 Thr C . 25255 3 41 . 1 . 1 12 12 THR CA C 13 61.74 . . . . . . . . 12 Thr CA . 25255 3 42 . 1 . 1 12 12 THR N N 15 119.28 . . . . . . . . 12 Thr N . 25255 3 43 . 1 . 1 13 13 ILE H H 1 8.29 . . . . . . . . 13 Ile H . 25255 3 44 . 1 . 1 13 13 ILE C C 13 175.64 . . . . . . . . 13 Ile C . 25255 3 45 . 1 . 1 13 13 ILE CA C 13 60.79 . . . . . . . . 13 Ile CA . 25255 3 46 . 1 . 1 13 13 ILE N N 15 124.06 . . . . . . . . 13 Ile N . 25255 3 47 . 1 . 1 14 14 ARG H H 1 8.53 . . . . . . . . 14 Arg H . 25255 3 48 . 1 . 1 14 14 ARG C C 13 175.97 . . . . . . . . 14 Arg C . 25255 3 49 . 1 . 1 14 14 ARG CA C 13 55.85 . . . . . . . . 14 Arg CA . 25255 3 50 . 1 . 1 14 14 ARG N N 15 126.05 . . . . . . . . 14 Arg N . 25255 3 51 . 1 . 1 15 15 ILE H H 1 8.42 . . . . . . . . 15 Ile H . 25255 3 52 . 1 . 1 15 15 ILE C C 13 176.68 . . . . . . . . 15 Ile C . 25255 3 53 . 1 . 1 15 15 ILE CA C 13 61.15 . . . . . . . . 15 Ile CA . 25255 3 54 . 1 . 1 15 15 ILE N N 15 123.93 . . . . . . . . 15 Ile N . 25255 3 55 . 1 . 1 16 16 GLY H H 1 8.57 . . . . . . . . 16 Gly H . 25255 3 56 . 1 . 1 16 16 GLY C C 13 174.51 . . . . . . . . 16 Gly C . 25255 3 57 . 1 . 1 16 16 GLY CA C 13 45.33 . . . . . . . . 16 Gly CA . 25255 3 58 . 1 . 1 16 16 GLY N N 15 113.65 . . . . . . . . 16 Gly N . 25255 3 59 . 1 . 1 17 17 GLY H H 1 8.32 . . . . . . . . 17 Gly H . 25255 3 60 . 1 . 1 17 17 GLY C C 13 174.04 . . . . . . . . 17 Gly C . 25255 3 61 . 1 . 1 17 17 GLY CA C 13 45.22 . . . . . . . . 17 Gly CA . 25255 3 62 . 1 . 1 17 17 GLY N N 15 108.52 . . . . . . . . 17 Gly N . 25255 3 63 . 1 . 1 18 18 GLN H H 1 8.35 . . . . . . . . 18 Gln H . 25255 3 64 . 1 . 1 18 18 GLN C C 13 175.97 . . . . . . . . 18 Gln C . 25255 3 65 . 1 . 1 18 18 GLN CA C 13 55.85 . . . . . . . . 18 Gln CA . 25255 3 66 . 1 . 1 18 18 GLN N N 15 119.86 . . . . . . . . 18 Gln N . 25255 3 67 . 1 . 1 19 19 LEU H H 1 8.42 . . . . . . . . 19 Leu H . 25255 3 68 . 1 . 1 19 19 LEU C C 13 177.25 . . . . . . . . 19 Leu C . 25255 3 69 . 1 . 1 19 19 LEU CA C 13 55.25 . . . . . . . . 19 Leu CA . 25255 3 70 . 1 . 1 19 19 LEU N N 15 123.93 . . . . . . . . 19 Leu N . 25255 3 71 . 1 . 1 20 20 LYS H H 1 8.5 . . . . . . . . 20 Lys H . 25255 3 72 . 1 . 1 20 20 LYS C C 13 176.45 . . . . . . . . 20 Lys C . 25255 3 73 . 1 . 1 20 20 LYS CA C 13 56.47 . . . . . . . . 20 Lys CA . 25255 3 74 . 1 . 1 20 20 LYS N N 15 122.95 . . . . . . . . 20 Lys N . 25255 3 75 . 1 . 1 21 21 GLU H H 1 8.52 . . . . . . . . 21 Glu H . 25255 3 76 . 1 . 1 21 21 GLU C C 13 176.05 . . . . . . . . 21 Glu C . 25255 3 77 . 1 . 1 21 21 GLU CA C 13 56.63 . . . . . . . . 21 Glu CA . 25255 3 78 . 1 . 1 21 21 GLU N N 15 122.31 . . . . . . . . 21 Glu N . 25255 3 79 . 1 . 1 22 22 ALA H H 1 8.36 . . . . . . . . 22 Ala H . 25255 3 80 . 1 . 1 22 22 ALA C C 13 177.33 . . . . . . . . 22 Ala C . 25255 3 81 . 1 . 1 22 22 ALA CA C 13 52.43 . . . . . . . . 22 Ala CA . 25255 3 82 . 1 . 1 22 22 ALA N N 15 125.14 . . . . . . . . 22 Ala N . 25255 3 83 . 1 . 1 23 23 LEU H H 1 8.22 . . . . . . . . 23 Leu H . 25255 3 84 . 1 . 1 23 23 LEU C C 13 177.17 . . . . . . . . 23 Leu C . 25255 3 85 . 1 . 1 23 23 LEU CA C 13 54.99 . . . . . . . . 23 Leu CA . 25255 3 86 . 1 . 1 23 23 LEU N N 15 121.61 . . . . . . . . 23 Leu N . 25255 3 87 . 1 . 1 24 24 LEU H H 1 8.33 . . . . . . . . 24 Leu H . 25255 3 88 . 1 . 1 24 24 LEU C C 13 177 . . . . . . . . 24 Leu C . 25255 3 89 . 1 . 1 24 24 LEU CA C 13 55.08 . . . . . . . . 24 Leu CA . 25255 3 90 . 1 . 1 24 24 LEU N N 15 123.06 . . . . . . . . 24 Leu N . 25255 3 91 . 1 . 1 25 25 ASN H H 1 8.58 . . . . . . . . 25 Asn H . 25255 3 92 . 1 . 1 25 25 ASN C C 13 175.56 . . . . . . . . 25 Asn C . 25255 3 93 . 1 . 1 25 25 ASN CA C 13 53.21 . . . . . . . . 25 Asn CA . 25255 3 94 . 1 . 1 25 25 ASN N N 15 119.98 . . . . . . . . 25 Asn N . 25255 3 95 . 1 . 1 26 26 THR H H 1 8.25 . . . . . . . . 26 Thr H . 25255 3 96 . 1 . 1 26 26 THR C C 13 175.22 . . . . . . . . 26 Thr C . 25255 3 97 . 1 . 1 26 26 THR CA C 13 62 . . . . . . . . 26 Thr CA . 25255 3 98 . 1 . 1 26 26 THR N N 15 113.81 . . . . . . . . 26 Thr N . 25255 3 99 . 1 . 1 27 27 GLY H H 1 8.45 . . . . . . . . 27 Gly H . 25255 3 100 . 1 . 1 27 27 GLY C C 13 173.8 . . . . . . . . 27 Gly C . 25255 3 101 . 1 . 1 27 27 GLY CA C 13 45.35 . . . . . . . . 27 Gly CA . 25255 3 102 . 1 . 1 27 27 GLY N N 15 110.89 . . . . . . . . 27 Gly N . 25255 3 103 . 1 . 1 28 28 ALA H H 1 8.12 . . . . . . . . 28 Ala H . 25255 3 104 . 1 . 1 28 28 ALA C C 13 177.37 . . . . . . . . 28 Ala C . 25255 3 105 . 1 . 1 28 28 ALA CA C 13 52.58 . . . . . . . . 28 Ala CA . 25255 3 106 . 1 . 1 28 28 ALA N N 15 123.52 . . . . . . . . 28 Ala N . 25255 3 107 . 1 . 1 29 29 ASP H H 1 8.35 . . . . . . . . 29 Asp H . 25255 3 108 . 1 . 1 29 29 ASP C C 13 176.07 . . . . . . . . 29 Asp C . 25255 3 109 . 1 . 1 29 29 ASP CA C 13 54.32 . . . . . . . . 29 Asp CA . 25255 3 110 . 1 . 1 29 29 ASP N N 15 119.33 . . . . . . . . 29 Asp N . 25255 3 111 . 1 . 1 30 30 ASP H H 1 8.33 . . . . . . . . 30 Asp H . 25255 3 112 . 1 . 1 30 30 ASP C C 13 176.54 . . . . . . . . 30 Asp C . 25255 3 113 . 1 . 1 30 30 ASP CA C 13 54.53 . . . . . . . . 30 Asp CA . 25255 3 114 . 1 . 1 30 30 ASP N N 15 120.97 . . . . . . . . 30 Asp N . 25255 3 115 . 1 . 1 31 31 THR H H 1 8.19 . . . . . . . . 31 Thr H . 25255 3 116 . 1 . 1 31 31 THR C C 13 174.72 . . . . . . . . 31 Thr C . 25255 3 117 . 1 . 1 31 31 THR CA C 13 62.77 . . . . . . . . 31 Thr CA . 25255 3 118 . 1 . 1 31 31 THR N N 15 114.42 . . . . . . . . 31 Thr N . 25255 3 119 . 1 . 1 32 32 VAL H H 1 8.08 . . . . . . . . 32 Val H . 25255 3 120 . 1 . 1 32 32 VAL C C 13 176.03 . . . . . . . . 32 Val C . 25255 3 121 . 1 . 1 32 32 VAL CA C 13 62.56 . . . . . . . . 32 Val CA . 25255 3 122 . 1 . 1 32 32 VAL N N 15 122.87 . . . . . . . . 32 Val N . 25255 3 123 . 1 . 1 33 33 LEU H H 1 8.29 . . . . . . . . 33 Leu H . 25255 3 124 . 1 . 1 33 33 LEU C C 13 177.36 . . . . . . . . 33 Leu C . 25255 3 125 . 1 . 1 33 33 LEU CA C 13 55.27 . . . . . . . . 33 Leu CA . 25255 3 126 . 1 . 1 33 33 LEU N N 15 126.08 . . . . . . . . 33 Leu N . 25255 3 127 . 1 . 1 34 34 GLU H H 1 8.45 . . . . . . . . 34 Glu H . 25255 3 128 . 1 . 1 34 34 GLU C C 13 176.58 . . . . . . . . 34 Glu C . 25255 3 129 . 1 . 1 34 34 GLU CA C 13 56.78 . . . . . . . . 34 Glu CA . 25255 3 130 . 1 . 1 34 34 GLU N N 15 121.98 . . . . . . . . 34 Glu N . 25255 3 131 . 1 . 1 35 35 GLU H H 1 8.44 . . . . . . . . 35 Glu H . 25255 3 132 . 1 . 1 35 35 GLU C C 13 176.6 . . . . . . . . 35 Glu C . 25255 3 133 . 1 . 1 35 35 GLU CA C 13 56.86 . . . . . . . . 35 Glu CA . 25255 3 134 . 1 . 1 35 35 GLU N N 15 121.75 . . . . . . . . 35 Glu N . 25255 3 135 . 1 . 1 36 36 MET H H 1 8.36 . . . . . . . . 36 Met H . 25255 3 136 . 1 . 1 36 36 MET C C 13 175.93 . . . . . . . . 36 Met C . 25255 3 137 . 1 . 1 36 36 MET CA C 13 55.87 . . . . . . . . 36 Met CA . 25255 3 138 . 1 . 1 36 36 MET N N 15 120.62 . . . . . . . . 36 Met N . 25255 3 139 . 1 . 1 37 37 ASN H H 1 8.49 . . . . . . . . 37 Asn H . 25255 3 140 . 1 . 1 37 37 ASN C C 13 174.71 . . . . . . . . 37 Asn C . 25255 3 141 . 1 . 1 37 37 ASN CA C 13 53.19 . . . . . . . . 37 Asn CA . 25255 3 142 . 1 . 1 37 37 ASN N N 15 119.42 . . . . . . . . 37 Asn N . 25255 3 143 . 1 . 1 38 38 LEU H H 1 8.05 . . . . . . . . 38 Leu H . 25255 3 144 . 1 . 1 38 38 LEU N N 15 123.1 . . . . . . . . 38 Leu N . 25255 3 145 . 1 . 1 39 39 PRO C C 13 177.44 . . . . . . . . 39 Pro C . 25255 3 146 . 1 . 1 39 39 PRO CA C 13 63.5 . . . . . . . . 39 Pro CA . 25255 3 147 . 1 . 1 40 40 GLY H H 1 8.4 . . . . . . . . 40 Gly H . 25255 3 148 . 1 . 1 40 40 GLY C C 13 174.09 . . . . . . . . 40 Gly C . 25255 3 149 . 1 . 1 40 40 GLY CA C 13 45.38 . . . . . . . . 40 Gly CA . 25255 3 150 . 1 . 1 40 40 GLY N N 15 108.96 . . . . . . . . 40 Gly N . 25255 3 151 . 1 . 1 41 41 LYS H H 1 8.07 . . . . . . . . 41 Lys H . 25255 3 152 . 1 . 1 41 41 LYS C C 13 176.22 . . . . . . . . 41 Lys C . 25255 3 153 . 1 . 1 41 41 LYS CA C 13 56.42 . . . . . . . . 41 Lys CA . 25255 3 154 . 1 . 1 41 41 LYS N N 15 120.61 . . . . . . . . 41 Lys N . 25255 3 155 . 1 . 1 42 42 TRP H H 1 8.24 . . . . . . . . 42 Trp H . 25255 3 156 . 1 . 1 42 42 TRP C C 13 175.65 . . . . . . . . 42 Trp C . 25255 3 157 . 1 . 1 42 42 TRP CA C 13 57.52 . . . . . . . . 42 Trp CA . 25255 3 158 . 1 . 1 42 42 TRP N N 15 122.42 . . . . . . . . 42 Trp N . 25255 3 159 . 1 . 1 43 43 LYS H H 1 8.02 . . . . . . . . 43 Lys H . 25255 3 160 . 1 . 1 43 43 LYS N N 15 125.08 . . . . . . . . 43 Lys N . 25255 3 161 . 1 . 1 44 44 PRO C C 13 176.61 . . . . . . . . 44 Pro C . 25255 3 162 . 1 . 1 44 44 PRO CA C 13 62.76 . . . . . . . . 44 Pro CA . 25255 3 163 . 1 . 1 45 45 LYS H H 1 8.5 . . . . . . . . 45 Lys H . 25255 3 164 . 1 . 1 45 45 LYS C C 13 176.59 . . . . . . . . 45 Lys C . 25255 3 165 . 1 . 1 45 45 LYS CA C 13 56.58 . . . . . . . . 45 Lys CA . 25255 3 166 . 1 . 1 45 45 LYS N N 15 121.91 . . . . . . . . 45 Lys N . 25255 3 167 . 1 . 1 46 46 MET H H 1 8.51 . . . . . . . . 46 Met H . 25255 3 168 . 1 . 1 46 46 MET C C 13 175.95 . . . . . . . . 46 Met C . 25255 3 169 . 1 . 1 46 46 MET CA C 13 55.36 . . . . . . . . 46 Met CA . 25255 3 170 . 1 . 1 46 46 MET N N 15 122.57 . . . . . . . . 46 Met N . 25255 3 171 . 1 . 1 47 47 ILE H H 1 8.38 . . . . . . . . 47 Ile H . 25255 3 172 . 1 . 1 47 47 ILE C C 13 176.52 . . . . . . . . 47 Ile C . 25255 3 173 . 1 . 1 47 47 ILE CA C 13 61.21 . . . . . . . . 47 Ile CA . 25255 3 174 . 1 . 1 47 47 ILE N N 15 123.19 . . . . . . . . 47 Ile N . 25255 3 175 . 1 . 1 48 48 GLY H H 1 8.5 . . . . . . . . 48 Gly H . 25255 3 176 . 1 . 1 48 48 GLY C C 13 174.31 . . . . . . . . 48 Gly C . 25255 3 177 . 1 . 1 48 48 GLY CA C 13 45.18 . . . . . . . . 48 Gly CA . 25255 3 178 . 1 . 1 48 48 GLY N N 15 112.99 . . . . . . . . 48 Gly N . 25255 3 179 . 1 . 1 49 49 GLY H H 1 8.25 . . . . . . . . 49 Gly H . 25255 3 180 . 1 . 1 49 49 GLY C C 13 174.18 . . . . . . . . 49 Gly C . 25255 3 181 . 1 . 1 49 49 GLY CA C 13 45.21 . . . . . . . . 49 Gly CA . 25255 3 182 . 1 . 1 49 49 GLY N N 15 108.52 . . . . . . . . 49 Gly N . 25255 3 183 . 1 . 1 50 50 ILE H H 1 8.15 . . . . . . . . 50 Ile H . 25255 3 184 . 1 . 1 50 50 ILE C C 13 176.83 . . . . . . . . 50 Ile C . 25255 3 185 . 1 . 1 50 50 ILE CA C 13 61.48 . . . . . . . . 50 Ile CA . 25255 3 186 . 1 . 1 50 50 ILE N N 15 119.61 . . . . . . . . 50 Ile N . 25255 3 187 . 1 . 1 51 51 GLY H H 1 8.49 . . . . . . . . 51 Gly H . 25255 3 188 . 1 . 1 51 51 GLY C C 13 174.36 . . . . . . . . 51 Gly C . 25255 3 189 . 1 . 1 51 51 GLY CA C 13 45.28 . . . . . . . . 51 Gly CA . 25255 3 190 . 1 . 1 51 51 GLY N N 15 112.53 . . . . . . . . 51 Gly N . 25255 3 191 . 1 . 1 52 52 GLY H H 1 8.16 . . . . . . . . 52 Gly H . 25255 3 192 . 1 . 1 52 52 GLY C C 13 173.7 . . . . . . . . 52 Gly C . 25255 3 193 . 1 . 1 52 52 GLY CA C 13 45.17 . . . . . . . . 52 Gly CA . 25255 3 194 . 1 . 1 52 52 GLY N N 15 108.53 . . . . . . . . 52 Gly N . 25255 3 195 . 1 . 1 53 53 PHE H H 1 8.14 . . . . . . . . 53 Phe H . 25255 3 196 . 1 . 1 53 53 PHE C C 13 175.54 . . . . . . . . 53 Phe C . 25255 3 197 . 1 . 1 53 53 PHE CA C 13 57.74 . . . . . . . . 53 Phe CA . 25255 3 198 . 1 . 1 53 53 PHE N N 15 120.02 . . . . . . . . 53 Phe N . 25255 3 199 . 1 . 1 54 54 ILE H H 1 8.19 . . . . . . . . 54 Ile H . 25255 3 200 . 1 . 1 54 54 ILE C C 13 175.63 . . . . . . . . 54 Ile C . 25255 3 201 . 1 . 1 54 54 ILE CA C 13 60.79 . . . . . . . . 54 Ile CA . 25255 3 202 . 1 . 1 54 54 ILE N N 15 123.51 . . . . . . . . 54 Ile N . 25255 3 203 . 1 . 1 55 55 LYS H H 1 8.42 . . . . . . . . 55 Lys H . 25255 3 204 . 1 . 1 55 55 LYS C C 13 176.29 . . . . . . . . 55 Lys C . 25255 3 205 . 1 . 1 55 55 LYS CA C 13 56.27 . . . . . . . . 55 Lys CA . 25255 3 206 . 1 . 1 55 55 LYS N N 15 126.56 . . . . . . . . 55 Lys N . 25255 3 207 . 1 . 1 56 56 VAL H H 1 8.27 . . . . . . . . 56 Val H . 25255 3 208 . 1 . 1 56 56 VAL C C 13 175.98 . . . . . . . . 56 Val C . 25255 3 209 . 1 . 1 56 56 VAL CA C 13 62.2 . . . . . . . . 56 Val CA . 25255 3 210 . 1 . 1 56 56 VAL N N 15 122.45 . . . . . . . . 56 Val N . 25255 3 211 . 1 . 1 57 57 ARG H H 1 8.51 . . . . . . . . 57 Arg H . 25255 3 212 . 1 . 1 57 57 ARG C C 13 175.84 . . . . . . . . 57 Arg C . 25255 3 213 . 1 . 1 57 57 ARG CA C 13 56.16 . . . . . . . . 57 Arg CA . 25255 3 214 . 1 . 1 57 57 ARG N N 15 125.37 . . . . . . . . 57 Arg N . 25255 3 215 . 1 . 1 58 58 GLN H H 1 8.44 . . . . . . . . 58 Gln H . 25255 3 216 . 1 . 1 58 58 GLN C C 13 175.6 . . . . . . . . 58 Gln C . 25255 3 217 . 1 . 1 58 58 GLN CA C 13 55.87 . . . . . . . . 58 Gln CA . 25255 3 218 . 1 . 1 58 58 GLN N N 15 122.33 . . . . . . . . 58 Gln N . 25255 3 219 . 1 . 1 59 59 TYR H H 1 8.33 . . . . . . . . 59 Tyr H . 25255 3 220 . 1 . 1 59 59 TYR C C 13 175.55 . . . . . . . . 59 Tyr C . 25255 3 221 . 1 . 1 59 59 TYR CA C 13 57.84 . . . . . . . . 59 Tyr CA . 25255 3 222 . 1 . 1 59 59 TYR N N 15 121.14 . . . . . . . . 59 Tyr N . 25255 3 223 . 1 . 1 60 60 ASP H H 1 8.4 . . . . . . . . 60 Asp H . 25255 3 224 . 1 . 1 60 60 ASP C C 13 175.92 . . . . . . . . 60 Asp C . 25255 3 225 . 1 . 1 60 60 ASP CA C 13 54.46 . . . . . . . . 60 Asp CA . 25255 3 226 . 1 . 1 60 60 ASP N N 15 121.65 . . . . . . . . 60 Asp N . 25255 3 227 . 1 . 1 61 61 GLN H H 1 8.25 . . . . . . . . 61 Gln H . 25255 3 228 . 1 . 1 61 61 GLN C C 13 175.61 . . . . . . . . 61 Gln C . 25255 3 229 . 1 . 1 61 61 GLN CA C 13 55.69 . . . . . . . . 61 Gln CA . 25255 3 230 . 1 . 1 61 61 GLN N N 15 120.1 . . . . . . . . 61 Gln N . 25255 3 231 . 1 . 1 62 62 ILE H H 1 8.28 . . . . . . . . 62 Ile H . 25255 3 232 . 1 . 1 62 62 ILE N N 15 123.83 . . . . . . . . 62 Ile N . 25255 3 233 . 1 . 1 63 63 PRO C C 13 176.8 . . . . . . . . 63 Pro C . 25255 3 234 . 1 . 1 63 63 PRO CA C 13 63.22 . . . . . . . . 63 Pro CA . 25255 3 235 . 1 . 1 64 64 VAL H H 1 8.23 . . . . . . . . 64 Val H . 25255 3 236 . 1 . 1 64 64 VAL C C 13 176.24 . . . . . . . . 64 Val C . 25255 3 237 . 1 . 1 64 64 VAL CA C 13 62.72 . . . . . . . . 64 Val CA . 25255 3 238 . 1 . 1 64 64 VAL N N 15 120.9 . . . . . . . . 64 Val N . 25255 3 239 . 1 . 1 65 65 GLU H H 1 8.55 . . . . . . . . 65 Glu H . 25255 3 240 . 1 . 1 65 65 GLU C C 13 176.29 . . . . . . . . 65 Glu C . 25255 3 241 . 1 . 1 65 65 GLU CA C 13 56.54 . . . . . . . . 65 Glu CA . 25255 3 242 . 1 . 1 65 65 GLU N N 15 124.33 . . . . . . . . 65 Glu N . 25255 3 243 . 1 . 1 66 66 ILE H H 1 8.21 . . . . . . . . 66 Ile H . 25255 3 244 . 1 . 1 66 66 ILE C C 13 176.01 . . . . . . . . 66 Ile C . 25255 3 245 . 1 . 1 66 66 ILE CA C 13 61.08 . . . . . . . . 66 Ile CA . 25255 3 246 . 1 . 1 66 66 ILE N N 15 122.43 . . . . . . . . 66 Ile N . 25255 3 247 . 1 . 1 67 67 ALA H H 1 8.38 . . . . . . . . 67 Ala H . 25255 3 248 . 1 . 1 67 67 ALA C C 13 178.02 . . . . . . . . 67 Ala C . 25255 3 249 . 1 . 1 67 67 ALA CA C 13 52.77 . . . . . . . . 67 Ala CA . 25255 3 250 . 1 . 1 67 67 ALA N N 15 127.89 . . . . . . . . 67 Ala N . 25255 3 251 . 1 . 1 68 68 GLY H H 1 8.35 . . . . . . . . 68 Gly H . 25255 3 252 . 1 . 1 68 68 GLY C C 13 173.94 . . . . . . . . 68 Gly C . 25255 3 253 . 1 . 1 68 68 GLY CA C 13 45.25 . . . . . . . . 68 Gly CA . 25255 3 254 . 1 . 1 68 68 GLY N N 15 107.87 . . . . . . . . 68 Gly N . 25255 3 255 . 1 . 1 69 69 HIS H H 1 8.34 . . . . . . . . 69 His H . 25255 3 256 . 1 . 1 69 69 HIS C C 13 174.63 . . . . . . . . 69 His C . 25255 3 257 . 1 . 1 69 69 HIS CA C 13 55.57 . . . . . . . . 69 His CA . 25255 3 258 . 1 . 1 69 69 HIS N N 15 118.49 . . . . . . . . 69 His N . 25255 3 259 . 1 . 1 70 70 LYS H H 1 8.46 . . . . . . . . 70 Lys H . 25255 3 260 . 1 . 1 70 70 LYS C C 13 176.02 . . . . . . . . 70 Lys C . 25255 3 261 . 1 . 1 70 70 LYS CA C 13 56.31 . . . . . . . . 70 Lys CA . 25255 3 262 . 1 . 1 70 70 LYS N N 15 123.39 . . . . . . . . 70 Lys N . 25255 3 263 . 1 . 1 71 71 ALA H H 1 8.47 . . . . . . . . 71 Ala H . 25255 3 264 . 1 . 1 71 71 ALA C C 13 177.51 . . . . . . . . 71 Ala C . 25255 3 265 . 1 . 1 71 71 ALA CA C 13 52.37 . . . . . . . . 71 Ala CA . 25255 3 266 . 1 . 1 71 71 ALA N N 15 126.31 . . . . . . . . 71 Ala N . 25255 3 267 . 1 . 1 72 72 ILE H H 1 8.25 . . . . . . . . 72 Ile H . 25255 3 268 . 1 . 1 72 72 ILE C C 13 176.66 . . . . . . . . 72 Ile C . 25255 3 269 . 1 . 1 72 72 ILE CA C 13 61.32 . . . . . . . . 72 Ile CA . 25255 3 270 . 1 . 1 72 72 ILE N N 15 120.81 . . . . . . . . 72 Ile N . 25255 3 271 . 1 . 1 73 73 GLY H H 1 8.45 . . . . . . . . 73 Gly H . 25255 3 272 . 1 . 1 73 73 GLY C C 13 174.02 . . . . . . . . 73 Gly C . 25255 3 273 . 1 . 1 73 73 GLY CA C 13 45.25 . . . . . . . . 73 Gly CA . 25255 3 274 . 1 . 1 73 73 GLY N N 15 112.62 . . . . . . . . 73 Gly N . 25255 3 275 . 1 . 1 74 74 THR H H 1 8.11 . . . . . . . . 74 Thr H . 25255 3 276 . 1 . 1 74 74 THR C C 13 174.41 . . . . . . . . 74 Thr C . 25255 3 277 . 1 . 1 74 74 THR CA C 13 61.97 . . . . . . . . 74 Thr CA . 25255 3 278 . 1 . 1 74 74 THR N N 15 114.52 . . . . . . . . 74 Thr N . 25255 3 279 . 1 . 1 75 75 VAL H H 1 8.26 . . . . . . . . 75 Val H . 25255 3 280 . 1 . 1 75 75 VAL C C 13 175.71 . . . . . . . . 75 Val C . 25255 3 281 . 1 . 1 75 75 VAL CA C 13 62.28 . . . . . . . . 75 Val CA . 25255 3 282 . 1 . 1 75 75 VAL N N 15 123.31 . . . . . . . . 75 Val N . 25255 3 283 . 1 . 1 76 76 LEU H H 1 8.43 . . . . . . . . 76 Leu H . 25255 3 284 . 1 . 1 76 76 LEU C C 13 176.89 . . . . . . . . 76 Leu C . 25255 3 285 . 1 . 1 76 76 LEU CA C 13 54.94 . . . . . . . . 76 Leu CA . 25255 3 286 . 1 . 1 76 76 LEU N N 15 127.02 . . . . . . . . 76 Leu N . 25255 3 287 . 1 . 1 77 77 VAL H H 1 8.25 . . . . . . . . 77 Val H . 25255 3 288 . 1 . 1 77 77 VAL C C 13 176.19 . . . . . . . . 77 Val C . 25255 3 289 . 1 . 1 77 77 VAL CA C 13 62.09 . . . . . . . . 77 Val CA . 25255 3 290 . 1 . 1 77 77 VAL N N 15 121.65 . . . . . . . . 77 Val N . 25255 3 291 . 1 . 1 78 78 GLY H H 1 8.33 . . . . . . . . 78 Gly H . 25255 3 292 . 1 . 1 78 78 GLY N N 15 112.6 . . . . . . . . 78 Gly N . 25255 3 293 . 1 . 1 79 79 PRO C C 13 177.03 . . . . . . . . 79 Pro C . 25255 3 294 . 1 . 1 79 79 PRO CA C 13 63.02 . . . . . . . . 79 Pro CA . 25255 3 295 . 1 . 1 80 80 THR H H 1 8.34 . . . . . . . . 80 Thr H . 25255 3 296 . 1 . 1 80 80 THR N N 15 117.37 . . . . . . . . 80 Thr N . 25255 3 297 . 1 . 1 81 81 PRO C C 13 176.71 . . . . . . . . 81 Pro C . 25255 3 298 . 1 . 1 81 81 PRO CA C 13 63.23 . . . . . . . . 81 Pro CA . 25255 3 299 . 1 . 1 82 82 VAL H H 1 8.23 . . . . . . . . 82 Val H . 25255 3 300 . 1 . 1 82 82 VAL C C 13 175.82 . . . . . . . . 82 Val C . 25255 3 301 . 1 . 1 82 82 VAL CA C 13 62.39 . . . . . . . . 82 Val CA . 25255 3 302 . 1 . 1 82 82 VAL N N 15 120.06 . . . . . . . . 82 Val N . 25255 3 303 . 1 . 1 83 83 ASN H H 1 8.51 . . . . . . . . 83 Asn H . 25255 3 304 . 1 . 1 83 83 ASN C C 13 174.84 . . . . . . . . 83 Asn C . 25255 3 305 . 1 . 1 83 83 ASN CA C 13 53.11 . . . . . . . . 83 Asn CA . 25255 3 306 . 1 . 1 83 83 ASN N N 15 122.31 . . . . . . . . 83 Asn N . 25255 3 307 . 1 . 1 84 84 ILE H H 1 8.17 . . . . . . . . 84 Ile H . 25255 3 308 . 1 . 1 84 84 ILE C C 13 176.06 . . . . . . . . 84 Ile C . 25255 3 309 . 1 . 1 84 84 ILE CA C 13 61.11 . . . . . . . . 84 Ile CA . 25255 3 310 . 1 . 1 84 84 ILE N N 15 121.97 . . . . . . . . 84 Ile N . 25255 3 311 . 1 . 1 85 85 ILE H H 1 8.26 . . . . . . . . 85 Ile H . 25255 3 312 . 1 . 1 85 85 ILE C C 13 176.67 . . . . . . . . 85 Ile C . 25255 3 313 . 1 . 1 85 85 ILE CA C 13 61.33 . . . . . . . . 85 Ile CA . 25255 3 314 . 1 . 1 85 85 ILE N N 15 125.22 . . . . . . . . 85 Ile N . 25255 3 315 . 1 . 1 86 86 GLY H H 1 8.44 . . . . . . . . 86 Gly H . 25255 3 316 . 1 . 1 86 86 GLY C C 13 173.87 . . . . . . . . 86 Gly C . 25255 3 317 . 1 . 1 86 86 GLY CA C 13 45.32 . . . . . . . . 86 Gly CA . 25255 3 318 . 1 . 1 86 86 GLY N N 15 112.94 . . . . . . . . 86 Gly N . 25255 3 319 . 1 . 1 87 87 ARG H H 1 8.22 . . . . . . . . 87 Arg H . 25255 3 320 . 1 . 1 87 87 ARG C C 13 175.96 . . . . . . . . 87 Arg C . 25255 3 321 . 1 . 1 87 87 ARG CA C 13 56.16 . . . . . . . . 87 Arg CA . 25255 3 322 . 1 . 1 87 87 ARG N N 15 120.48 . . . . . . . . 87 Arg N . 25255 3 323 . 1 . 1 88 88 ASN H H 1 8.6 . . . . . . . . 88 Asn H . 25255 3 324 . 1 . 1 88 88 ASN C C 13 175.11 . . . . . . . . 88 Asn C . 25255 3 325 . 1 . 1 88 88 ASN CA C 13 53.3 . . . . . . . . 88 Asn CA . 25255 3 326 . 1 . 1 88 88 ASN N N 15 120.03 . . . . . . . . 88 Asn N . 25255 3 327 . 1 . 1 89 89 LEU H H 1 8.31 . . . . . . . . 89 Leu H . 25255 3 328 . 1 . 1 89 89 LEU C C 13 177.22 . . . . . . . . 89 Leu C . 25255 3 329 . 1 . 1 89 89 LEU CA C 13 55.36 . . . . . . . . 89 Leu CA . 25255 3 330 . 1 . 1 89 89 LEU N N 15 122.92 . . . . . . . . 89 Leu N . 25255 3 331 . 1 . 1 90 90 LEU H H 1 8.34 . . . . . . . . 90 Leu H . 25255 3 332 . 1 . 1 90 90 LEU C C 13 177.53 . . . . . . . . 90 Leu C . 25255 3 333 . 1 . 1 90 90 LEU CA C 13 55.3 . . . . . . . . 90 Leu CA . 25255 3 334 . 1 . 1 90 90 LEU N N 15 122.52 . . . . . . . . 90 Leu N . 25255 3 335 . 1 . 1 91 91 THR H H 1 8.09 . . . . . . . . 91 Thr H . 25255 3 336 . 1 . 1 91 91 THR C C 13 174.41 . . . . . . . . 91 Thr C . 25255 3 337 . 1 . 1 91 91 THR CA C 13 61.92 . . . . . . . . 91 Thr CA . 25255 3 338 . 1 . 1 91 91 THR N N 15 114.61 . . . . . . . . 91 Thr N . 25255 3 339 . 1 . 1 92 92 GLN H H 1 8.4 . . . . . . . . 92 Gln H . 25255 3 340 . 1 . 1 92 92 GLN C C 13 175.71 . . . . . . . . 92 Gln C . 25255 3 341 . 1 . 1 92 92 GLN CA C 13 55.81 . . . . . . . . 92 Gln CA . 25255 3 342 . 1 . 1 92 92 GLN N N 15 122.91 . . . . . . . . 92 Gln N . 25255 3 343 . 1 . 1 93 93 ILE H H 1 8.29 . . . . . . . . 93 Ile H . 25255 3 344 . 1 . 1 93 93 ILE C C 13 176.65 . . . . . . . . 93 Ile C . 25255 3 345 . 1 . 1 93 93 ILE CA C 13 61.51 . . . . . . . . 93 Ile CA . 25255 3 346 . 1 . 1 93 93 ILE N N 15 122.59 . . . . . . . . 93 Ile N . 25255 3 347 . 1 . 1 94 94 GLY H H 1 8.47 . . . . . . . . 94 Gly H . 25255 3 348 . 1 . 1 94 94 GLY C C 13 172.81 . . . . . . . . 94 Gly C . 25255 3 349 . 1 . 1 94 94 GLY CA C 13 45.34 . . . . . . . . 94 Gly CA . 25255 3 350 . 1 . 1 94 94 GLY N N 15 113.7 . . . . . . . . 94 Gly N . 25255 3 351 . 1 . 1 95 95 ALA H H 1 7.84 . . . . . . . . 95 Ala H . 25255 3 352 . 1 . 1 95 95 ALA N N 15 129.27 . . . . . . . . 95 Ala N . 25255 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_AceticAcid25_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode AceticAcid25_assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25255 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 4 _Assigned_chem_shift_list.Sample_condition_list_label $25C_pH2_lowIS _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 19 '2D 1H-15N HSQC' . . . 25255 4 20 '3D HNCA' . . . 25255 4 21 '3D HN(CO)CA' . . . 25255 4 22 '3D HNCO' . . . 25255 4 23 '3D CBCA(CO)NH' . . . 25255 4 24 '3D HNCACB' . . . 25255 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 PRO C C 13 178.26 . . . . . . . . 1 Pro C . 25255 4 2 . 1 . 1 1 1 PRO CA C 13 62.41 . . . . . . . . 1 Pro CA . 25255 4 3 . 1 . 1 2 2 GLN H H 1 8.73 . . . . . . . . 2 Gln H . 25255 4 4 . 1 . 1 2 2 GLN C C 13 175.41 . . . . . . . . 2 Gln C . 25255 4 5 . 1 . 1 2 2 GLN CA C 13 56.1 . . . . . . . . 2 Gln CA . 25255 4 6 . 1 . 1 2 2 GLN N N 15 120.06 . . . . . . . . 2 Gln N . 25255 4 7 . 1 . 1 3 3 ILE H H 1 8.29 . . . . . . . . 3 Ile H . 25255 4 8 . 1 . 1 3 3 ILE C C 13 175.95 . . . . . . . . 3 Ile C . 25255 4 9 . 1 . 1 3 3 ILE CA C 13 61.11 . . . . . . . . 3 Ile CA . 25255 4 10 . 1 . 1 3 3 ILE N N 15 122.69 . . . . . . . . 3 Ile N . 25255 4 11 . 1 . 1 4 4 THR H H 1 8.18 . . . . . . . . 4 Thr H . 25255 4 12 . 1 . 1 4 4 THR C C 13 174.02 . . . . . . . . 4 Thr C . 25255 4 13 . 1 . 1 4 4 THR CA C 13 61.64 . . . . . . . . 4 Thr CA . 25255 4 14 . 1 . 1 4 4 THR N N 15 118.95 . . . . . . . . 4 Thr N . 25255 4 15 . 1 . 1 5 5 LEU H H 1 8.12 . . . . . . . . 5 Leu H . 25255 4 16 . 1 . 1 5 5 LEU C C 13 176.51 . . . . . . . . 5 Leu C . 25255 4 17 . 1 . 1 5 5 LEU CA C 13 55.1 . . . . . . . . 5 Leu CA . 25255 4 18 . 1 . 1 5 5 LEU N N 15 124.82 . . . . . . . . 5 Leu N . 25255 4 19 . 1 . 1 6 6 TRP H H 1 7.94 . . . . . . . . 6 Trp H . 25255 4 20 . 1 . 1 6 6 TRP C C 13 175.8 . . . . . . . . 6 Trp C . 25255 4 21 . 1 . 1 6 6 TRP CA C 13 57.11 . . . . . . . . 6 Trp CA . 25255 4 22 . 1 . 1 6 6 TRP N N 15 121.35 . . . . . . . . 6 Trp N . 25255 4 23 . 1 . 1 7 7 LYS H H 1 7.97 . . . . . . . . 7 Lys H . 25255 4 24 . 1 . 1 7 7 LYS C C 13 175.45 . . . . . . . . 7 Lys C . 25255 4 25 . 1 . 1 7 7 LYS CA C 13 55.91 . . . . . . . . 7 Lys CA . 25255 4 26 . 1 . 1 7 7 LYS N N 15 122.76 . . . . . . . . 7 Lys N . 25255 4 27 . 1 . 1 8 8 ARG H H 1 8.05 . . . . . . . . 8 Arg H . 25255 4 28 . 1 . 1 8 8 ARG N N 15 122.84 . . . . . . . . 8 Arg N . 25255 4 29 . 1 . 1 9 9 PRO C C 13 176.32 . . . . . . . . 9 Pro C . 25255 4 30 . 1 . 1 9 9 PRO CA C 13 63.04 . . . . . . . . 9 Pro CA . 25255 4 31 . 1 . 1 10 10 LEU H H 1 8.17 . . . . . . . . 10 Leu H . 25255 4 32 . 1 . 1 10 10 LEU C C 13 177.06 . . . . . . . . 10 Leu C . 25255 4 33 . 1 . 1 10 10 LEU CA C 13 55.25 . . . . . . . . 10 Leu CA . 25255 4 34 . 1 . 1 10 10 LEU N N 15 122.4 . . . . . . . . 10 Leu N . 25255 4 35 . 1 . 1 11 11 VAL H H 1 8.11 . . . . . . . . 11 Val H . 25255 4 36 . 1 . 1 11 11 VAL C C 13 175.73 . . . . . . . . 11 Val C . 25255 4 37 . 1 . 1 11 11 VAL CA C 13 61.92 . . . . . . . . 11 Val CA . 25255 4 38 . 1 . 1 11 11 VAL N N 15 120.55 . . . . . . . . 11 Val N . 25255 4 39 . 1 . 1 12 12 THR H H 1 8.17 . . . . . . . . 12 Thr H . 25255 4 40 . 1 . 1 12 12 THR C C 13 174.12 . . . . . . . . 12 Thr C . 25255 4 41 . 1 . 1 12 12 THR CA C 13 61.72 . . . . . . . . 12 Thr CA . 25255 4 42 . 1 . 1 12 12 THR N N 15 118.15 . . . . . . . . 12 Thr N . 25255 4 43 . 1 . 1 13 13 ILE H H 1 8.17 . . . . . . . . 13 Ile H . 25255 4 44 . 1 . 1 13 13 ILE C C 13 175.35 . . . . . . . . 13 Ile C . 25255 4 45 . 1 . 1 13 13 ILE CA C 13 60.83 . . . . . . . . 13 Ile CA . 25255 4 46 . 1 . 1 13 13 ILE N N 15 123.12 . . . . . . . . 13 Ile N . 25255 4 47 . 1 . 1 14 14 ARG H H 1 8.3 . . . . . . . . 14 Arg H . 25255 4 48 . 1 . 1 14 14 ARG C C 13 175.81 . . . . . . . . 14 Arg C . 25255 4 49 . 1 . 1 14 14 ARG CA C 13 55.73 . . . . . . . . 14 Arg CA . 25255 4 50 . 1 . 1 14 14 ARG N N 15 124.91 . . . . . . . . 14 Arg N . 25255 4 51 . 1 . 1 15 15 ILE H H 1 8.24 . . . . . . . . 15 Ile H . 25255 4 52 . 1 . 1 15 15 ILE C C 13 176.51 . . . . . . . . 15 Ile C . 25255 4 53 . 1 . 1 15 15 ILE CA C 13 61.05 . . . . . . . . 15 Ile CA . 25255 4 54 . 1 . 1 15 15 ILE N N 15 122.88 . . . . . . . . 15 Ile N . 25255 4 55 . 1 . 1 16 16 GLY H H 1 8.51 . . . . . . . . 16 Gly H . 25255 4 56 . 1 . 1 16 16 GLY C C 13 174.74 . . . . . . . . 16 Gly C . 25255 4 57 . 1 . 1 16 16 GLY CA C 13 45.65 . . . . . . . . 16 Gly CA . 25255 4 58 . 1 . 1 16 16 GLY N N 15 113.32 . . . . . . . . 16 Gly N . 25255 4 59 . 1 . 1 17 17 GLY H H 1 8.33 . . . . . . . . 17 Gly H . 25255 4 60 . 1 . 1 17 17 GLY C C 13 174.28 . . . . . . . . 17 Gly C . 25255 4 61 . 1 . 1 17 17 GLY CA C 13 45.55 . . . . . . . . 17 Gly CA . 25255 4 62 . 1 . 1 17 17 GLY N N 15 108.28 . . . . . . . . 17 Gly N . 25255 4 63 . 1 . 1 18 18 GLN H H 1 8.24 . . . . . . . . 18 Gln H . 25255 4 64 . 1 . 1 18 18 GLN C C 13 176.09 . . . . . . . . 18 Gln C . 25255 4 65 . 1 . 1 18 18 GLN CA C 13 56.12 . . . . . . . . 18 Gln CA . 25255 4 66 . 1 . 1 18 18 GLN N N 15 119.63 . . . . . . . . 18 Gln N . 25255 4 67 . 1 . 1 19 19 LEU H H 1 8.22 . . . . . . . . 19 Leu H . 25255 4 68 . 1 . 1 19 19 LEU C C 13 177.26 . . . . . . . . 19 Leu C . 25255 4 69 . 1 . 1 19 19 LEU CA C 13 55.68 . . . . . . . . 19 Leu CA . 25255 4 70 . 1 . 1 19 19 LEU N N 15 122.72 . . . . . . . . 19 Leu N . 25255 4 71 . 1 . 1 20 20 LYS H H 1 8.27 . . . . . . . . 20 Lys H . 25255 4 72 . 1 . 1 20 20 LYS C C 13 176.48 . . . . . . . . 20 Lys C . 25255 4 73 . 1 . 1 20 20 LYS CA C 13 56.71 . . . . . . . . 20 Lys CA . 25255 4 74 . 1 . 1 20 20 LYS N N 15 121.41 . . . . . . . . 20 Lys N . 25255 4 75 . 1 . 1 21 21 GLU H H 1 8.14 . . . . . . . . 21 Glu H . 25255 4 76 . 1 . 1 21 21 GLU C C 13 175.92 . . . . . . . . 21 Glu C . 25255 4 77 . 1 . 1 21 21 GLU CA C 13 56.19 . . . . . . . . 21 Glu CA . 25255 4 78 . 1 . 1 21 21 GLU N N 15 119.81 . . . . . . . . 21 Glu N . 25255 4 79 . 1 . 1 22 22 ALA H H 1 8.27 . . . . . . . . 22 Ala H . 25255 4 80 . 1 . 1 22 22 ALA C C 13 177.54 . . . . . . . . 22 Ala C . 25255 4 81 . 1 . 1 22 22 ALA CA C 13 52.81 . . . . . . . . 22 Ala CA . 25255 4 82 . 1 . 1 22 22 ALA N N 15 124.17 . . . . . . . . 22 Ala N . 25255 4 83 . 1 . 1 23 23 LEU H H 1 8.03 . . . . . . . . 23 Leu H . 25255 4 84 . 1 . 1 23 23 LEU C C 13 177.4 . . . . . . . . 23 Leu C . 25255 4 85 . 1 . 1 23 23 LEU CA C 13 55.31 . . . . . . . . 23 Leu CA . 25255 4 86 . 1 . 1 23 23 LEU N N 15 119.99 . . . . . . . . 23 Leu N . 25255 4 87 . 1 . 1 24 24 LEU H H 1 8.01 . . . . . . . . 24 Leu H . 25255 4 88 . 1 . 1 24 24 LEU C C 13 177.03 . . . . . . . . 24 Leu C . 25255 4 89 . 1 . 1 24 24 LEU CA C 13 55.35 . . . . . . . . 24 Leu CA . 25255 4 90 . 1 . 1 24 24 LEU N N 15 121.6 . . . . . . . . 24 Leu N . 25255 4 91 . 1 . 1 25 25 ASN H H 1 8.29 . . . . . . . . 25 Asn H . 25255 4 92 . 1 . 1 25 25 ASN C C 13 175.49 . . . . . . . . 25 Asn C . 25255 4 93 . 1 . 1 25 25 ASN CA C 13 53.29 . . . . . . . . 25 Asn CA . 25255 4 94 . 1 . 1 25 25 ASN N N 15 119.11 . . . . . . . . 25 Asn N . 25255 4 95 . 1 . 1 26 26 THR H H 1 8.07 . . . . . . . . 26 Thr H . 25255 4 96 . 1 . 1 26 26 THR C C 13 175.29 . . . . . . . . 26 Thr C . 25255 4 97 . 1 . 1 26 26 THR CA C 13 62.3 . . . . . . . . 26 Thr CA . 25255 4 98 . 1 . 1 26 26 THR N N 15 113.35 . . . . . . . . 26 Thr N . 25255 4 99 . 1 . 1 27 27 GLY H H 1 8.34 . . . . . . . . 27 Gly H . 25255 4 100 . 1 . 1 27 27 GLY C C 13 174.26 . . . . . . . . 27 Gly C . 25255 4 101 . 1 . 1 27 27 GLY CA C 13 45.61 . . . . . . . . 27 Gly CA . 25255 4 102 . 1 . 1 27 27 GLY N N 15 110.36 . . . . . . . . 27 Gly N . 25255 4 103 . 1 . 1 28 28 ALA H H 1 8.05 . . . . . . . . 28 Ala H . 25255 4 104 . 1 . 1 28 28 ALA C C 13 177.63 . . . . . . . . 28 Ala C . 25255 4 105 . 1 . 1 28 28 ALA CA C 13 52.9 . . . . . . . . 28 Ala CA . 25255 4 106 . 1 . 1 28 28 ALA N N 15 123.22 . . . . . . . . 28 Ala N . 25255 4 107 . 1 . 1 29 29 ASP H H 1 8.32 . . . . . . . . 29 Asp H . 25255 4 108 . 1 . 1 29 29 ASP C C 13 175.2 . . . . . . . . 29 Asp C . 25255 4 109 . 1 . 1 29 29 ASP CA C 13 53.2 . . . . . . . . 29 Asp CA . 25255 4 110 . 1 . 1 29 29 ASP N N 15 116.94 . . . . . . . . 29 Asp N . 25255 4 111 . 1 . 1 30 30 ASP H H 1 8.3 . . . . . . . . 30 Asp H . 25255 4 112 . 1 . 1 30 30 ASP C C 13 175.64 . . . . . . . . 30 Asp C . 25255 4 113 . 1 . 1 30 30 ASP CA C 13 53.85 . . . . . . . . 30 Asp CA . 25255 4 114 . 1 . 1 30 30 ASP N N 15 118.95 . . . . . . . . 30 Asp N . 25255 4 115 . 1 . 1 31 31 THR H H 1 8.02 . . . . . . . . 31 Thr H . 25255 4 116 . 1 . 1 31 31 THR C C 13 175.16 . . . . . . . . 31 Thr C . 25255 4 117 . 1 . 1 31 31 THR CA C 13 63.59 . . . . . . . . 31 Thr CA . 25255 4 118 . 1 . 1 31 31 THR N N 15 114.6 . . . . . . . . 31 Thr N . 25255 4 119 . 1 . 1 32 32 VAL H H 1 7.88 . . . . . . . . 32 Val H . 25255 4 120 . 1 . 1 32 32 VAL C C 13 176.8 . . . . . . . . 32 Val C . 25255 4 121 . 1 . 1 32 32 VAL CA C 13 64.05 . . . . . . . . 32 Val CA . 25255 4 122 . 1 . 1 32 32 VAL N N 15 121.19 . . . . . . . . 32 Val N . 25255 4 123 . 1 . 1 33 33 LEU H H 1 7.9 . . . . . . . . 33 Leu H . 25255 4 124 . 1 . 1 33 33 LEU C C 13 178.2 . . . . . . . . 33 Leu C . 25255 4 125 . 1 . 1 33 33 LEU CA C 13 56.42 . . . . . . . . 33 Leu CA . 25255 4 126 . 1 . 1 33 33 LEU N N 15 122.08 . . . . . . . . 33 Leu N . 25255 4 127 . 1 . 1 34 34 GLU H H 1 8.05 . . . . . . . . 34 Glu H . 25255 4 128 . 1 . 1 34 34 GLU C C 13 176.97 . . . . . . . . 34 Glu C . 25255 4 129 . 1 . 1 34 34 GLU CA C 13 56.93 . . . . . . . . 34 Glu CA . 25255 4 130 . 1 . 1 34 34 GLU N N 15 118.71 . . . . . . . . 34 Glu N . 25255 4 131 . 1 . 1 35 35 GLU H H 1 8.08 . . . . . . . . 35 Glu H . 25255 4 132 . 1 . 1 35 35 GLU C C 13 176.53 . . . . . . . . 35 Glu C . 25255 4 133 . 1 . 1 35 35 GLU CA C 13 56.67 . . . . . . . . 35 Glu CA . 25255 4 134 . 1 . 1 35 35 GLU N N 15 119.03 . . . . . . . . 35 Glu N . 25255 4 135 . 1 . 1 36 36 MET H H 1 8.05 . . . . . . . . 36 Met H . 25255 4 136 . 1 . 1 36 36 MET C C 13 175.82 . . . . . . . . 36 Met C . 25255 4 137 . 1 . 1 36 36 MET CA C 13 56.28 . . . . . . . . 36 Met CA . 25255 4 138 . 1 . 1 36 36 MET N N 15 118.7 . . . . . . . . 36 Met N . 25255 4 139 . 1 . 1 37 37 ASN H H 1 8.1 . . . . . . . . 37 Asn H . 25255 4 140 . 1 . 1 37 37 ASN C C 13 174.5 . . . . . . . . 37 Asn C . 25255 4 141 . 1 . 1 37 37 ASN CA C 13 53.1 . . . . . . . . 37 Asn CA . 25255 4 142 . 1 . 1 37 37 ASN N N 15 118.11 . . . . . . . . 37 Asn N . 25255 4 143 . 1 . 1 38 38 LEU H H 1 7.87 . . . . . . . . 38 Leu H . 25255 4 144 . 1 . 1 38 38 LEU N N 15 122.65 . . . . . . . . 38 Leu N . 25255 4 145 . 1 . 1 39 39 PRO C C 13 177.49 . . . . . . . . 39 Pro C . 25255 4 146 . 1 . 1 39 39 PRO CA C 13 63.6 . . . . . . . . 39 Pro CA . 25255 4 147 . 1 . 1 40 40 GLY H H 1 8.3 . . . . . . . . 40 Gly H . 25255 4 148 . 1 . 1 40 40 GLY C C 13 174.24 . . . . . . . . 40 Gly C . 25255 4 149 . 1 . 1 40 40 GLY CA C 13 45.52 . . . . . . . . 40 Gly CA . 25255 4 150 . 1 . 1 40 40 GLY N N 15 108.43 . . . . . . . . 40 Gly N . 25255 4 151 . 1 . 1 41 41 LYS H H 1 7.96 . . . . . . . . 41 Lys H . 25255 4 152 . 1 . 1 41 41 LYS C C 13 176.07 . . . . . . . . 41 Lys C . 25255 4 153 . 1 . 1 41 41 LYS CA C 13 56.38 . . . . . . . . 41 Lys CA . 25255 4 154 . 1 . 1 41 41 LYS N N 15 119.84 . . . . . . . . 41 Lys N . 25255 4 155 . 1 . 1 42 42 TRP H H 1 8.01 . . . . . . . . 42 Trp H . 25255 4 156 . 1 . 1 42 42 TRP C C 13 175.48 . . . . . . . . 42 Trp C . 25255 4 157 . 1 . 1 42 42 TRP CA C 13 57.37 . . . . . . . . 42 Trp CA . 25255 4 158 . 1 . 1 42 42 TRP N N 15 121.22 . . . . . . . . 42 Trp N . 25255 4 159 . 1 . 1 43 43 LYS H H 1 7.8 . . . . . . . . 43 Lys H . 25255 4 160 . 1 . 1 43 43 LYS N N 15 124.16 . . . . . . . . 43 Lys N . 25255 4 161 . 1 . 1 44 44 PRO C C 13 176.52 . . . . . . . . 44 Pro C . 25255 4 162 . 1 . 1 44 44 PRO CA C 13 62.99 . . . . . . . . 44 Pro CA . 25255 4 163 . 1 . 1 45 45 LYS H H 1 8.23 . . . . . . . . 45 Lys H . 25255 4 164 . 1 . 1 45 45 LYS C C 13 176.28 . . . . . . . . 45 Lys C . 25255 4 165 . 1 . 1 45 45 LYS CA C 13 56.38 . . . . . . . . 45 Lys CA . 25255 4 166 . 1 . 1 45 45 LYS N N 15 120.64 . . . . . . . . 45 Lys N . 25255 4 167 . 1 . 1 46 46 MET H H 1 8.24 . . . . . . . . 46 Met H . 25255 4 168 . 1 . 1 46 46 MET C C 13 175.76 . . . . . . . . 46 Met C . 25255 4 169 . 1 . 1 46 46 MET CA C 13 55.35 . . . . . . . . 46 Met CA . 25255 4 170 . 1 . 1 46 46 MET N N 15 121.34 . . . . . . . . 46 Met N . 25255 4 171 . 1 . 1 47 47 ILE H H 1 8.12 . . . . . . . . 47 Ile H . 25255 4 172 . 1 . 1 47 47 ILE C C 13 176.4 . . . . . . . . 47 Ile C . 25255 4 173 . 1 . 1 47 47 ILE CA C 13 61.21 . . . . . . . . 47 Ile CA . 25255 4 174 . 1 . 1 47 47 ILE N N 15 121.9 . . . . . . . . 47 Ile N . 25255 4 175 . 1 . 1 48 48 GLY H H 1 8.39 . . . . . . . . 48 Gly H . 25255 4 176 . 1 . 1 48 48 GLY C C 13 174.31 . . . . . . . . 48 Gly C . 25255 4 177 . 1 . 1 48 48 GLY CA C 13 45.24 . . . . . . . . 48 Gly CA . 25255 4 178 . 1 . 1 48 48 GLY N N 15 112.27 . . . . . . . . 48 Gly N . 25255 4 179 . 1 . 1 49 49 GLY H H 1 8.16 . . . . . . . . 49 Gly H . 25255 4 180 . 1 . 1 49 49 GLY C C 13 174.23 . . . . . . . . 49 Gly C . 25255 4 181 . 1 . 1 49 49 GLY CA C 13 45.28 . . . . . . . . 49 Gly CA . 25255 4 182 . 1 . 1 49 49 GLY N N 15 108.18 . . . . . . . . 49 Gly N . 25255 4 183 . 1 . 1 50 50 ILE H H 1 8.05 . . . . . . . . 50 Ile H . 25255 4 184 . 1 . 1 50 50 ILE C C 13 176.73 . . . . . . . . 50 Ile C . 25255 4 185 . 1 . 1 50 50 ILE CA C 13 61.54 . . . . . . . . 50 Ile CA . 25255 4 186 . 1 . 1 50 50 ILE N N 15 119.3 . . . . . . . . 50 Ile N . 25255 4 187 . 1 . 1 51 51 GLY H H 1 8.43 . . . . . . . . 51 Gly H . 25255 4 188 . 1 . 1 51 51 GLY C C 13 174.49 . . . . . . . . 51 Gly C . 25255 4 189 . 1 . 1 51 51 GLY CA C 13 45.53 . . . . . . . . 51 Gly CA . 25255 4 190 . 1 . 1 51 51 GLY N N 15 111.88 . . . . . . . . 51 Gly N . 25255 4 191 . 1 . 1 52 52 GLY H H 1 8.08 . . . . . . . . 52 Gly H . 25255 4 192 . 1 . 1 52 52 GLY C C 13 173.79 . . . . . . . . 52 Gly C . 25255 4 193 . 1 . 1 52 52 GLY CA C 13 45.32 . . . . . . . . 52 Gly CA . 25255 4 194 . 1 . 1 52 52 GLY N N 15 108 . . . . . . . . 52 Gly N . 25255 4 195 . 1 . 1 53 53 PHE H H 1 8 . . . . . . . . 53 Phe H . 25255 4 196 . 1 . 1 53 53 PHE C C 13 175.6 . . . . . . . . 53 Phe C . 25255 4 197 . 1 . 1 53 53 PHE CA C 13 57.97 . . . . . . . . 53 Phe CA . 25255 4 198 . 1 . 1 53 53 PHE N N 15 119.49 . . . . . . . . 53 Phe N . 25255 4 199 . 1 . 1 54 54 ILE H H 1 7.95 . . . . . . . . 54 Ile H . 25255 4 200 . 1 . 1 54 54 ILE C C 13 175.67 . . . . . . . . 54 Ile C . 25255 4 201 . 1 . 1 54 54 ILE CA C 13 61.14 . . . . . . . . 54 Ile CA . 25255 4 202 . 1 . 1 54 54 ILE N N 15 121.76 . . . . . . . . 54 Ile N . 25255 4 203 . 1 . 1 55 55 LYS H H 1 8.2 . . . . . . . . 55 Lys H . 25255 4 204 . 1 . 1 55 55 LYS C C 13 176.26 . . . . . . . . 55 Lys C . 25255 4 205 . 1 . 1 55 55 LYS CA C 13 56.41 . . . . . . . . 55 Lys CA . 25255 4 206 . 1 . 1 55 55 LYS N N 15 125 . . . . . . . . 55 Lys N . 25255 4 207 . 1 . 1 56 56 VAL H H 1 7.99 . . . . . . . . 56 Val H . 25255 4 208 . 1 . 1 56 56 VAL C C 13 175.9 . . . . . . . . 56 Val C . 25255 4 209 . 1 . 1 56 56 VAL CA C 13 62.29 . . . . . . . . 56 Val CA . 25255 4 210 . 1 . 1 56 56 VAL N N 15 120.65 . . . . . . . . 56 Val N . 25255 4 211 . 1 . 1 57 57 ARG H H 1 8.25 . . . . . . . . 57 Arg H . 25255 4 212 . 1 . 1 57 57 ARG C C 13 175.85 . . . . . . . . 57 Arg C . 25255 4 213 . 1 . 1 57 57 ARG CA C 13 56.29 . . . . . . . . 57 Arg CA . 25255 4 214 . 1 . 1 57 57 ARG N N 15 123.88 . . . . . . . . 57 Arg N . 25255 4 215 . 1 . 1 58 58 GLN H H 1 8.24 . . . . . . . . 58 Gln H . 25255 4 216 . 1 . 1 58 58 GLN C C 13 175.53 . . . . . . . . 58 Gln C . 25255 4 217 . 1 . 1 58 58 GLN CA C 13 55.91 . . . . . . . . 58 Gln CA . 25255 4 218 . 1 . 1 58 58 GLN N N 15 120.96 . . . . . . . . 58 Gln N . 25255 4 219 . 1 . 1 59 59 TYR H H 1 8.17 . . . . . . . . 59 Tyr H . 25255 4 220 . 1 . 1 59 59 TYR C C 13 175.49 . . . . . . . . 59 Tyr C . 25255 4 221 . 1 . 1 59 59 TYR CA C 13 57.98 . . . . . . . . 59 Tyr CA . 25255 4 222 . 1 . 1 59 59 TYR N N 15 120.73 . . . . . . . . 59 Tyr N . 25255 4 223 . 1 . 1 60 60 ASP H H 1 8.32 . . . . . . . . 60 Asp H . 25255 4 224 . 1 . 1 60 60 ASP C C 13 174.51 . . . . . . . . 60 Asp C . 25255 4 225 . 1 . 1 60 60 ASP CA C 13 52.96 . . . . . . . . 60 Asp CA . 25255 4 226 . 1 . 1 60 60 ASP N N 15 119.8 . . . . . . . . 60 Asp N . 25255 4 227 . 1 . 1 61 61 GLN H H 1 8.13 . . . . . . . . 61 Gln H . 25255 4 228 . 1 . 1 61 61 GLN C C 13 175.34 . . . . . . . . 61 Gln C . 25255 4 229 . 1 . 1 61 61 GLN CA C 13 55.77 . . . . . . . . 61 Gln CA . 25255 4 230 . 1 . 1 61 61 GLN N N 15 120.1 . . . . . . . . 61 Gln N . 25255 4 231 . 1 . 1 62 62 ILE H H 1 8.08 . . . . . . . . 62 Ile H . 25255 4 232 . 1 . 1 62 62 ILE N N 15 122.88 . . . . . . . . 62 Ile N . 25255 4 233 . 1 . 1 63 63 PRO C C 13 176.65 . . . . . . . . 63 Pro C . 25255 4 234 . 1 . 1 63 63 PRO CA C 13 63.34 . . . . . . . . 63 Pro CA . 25255 4 235 . 1 . 1 64 64 VAL H H 1 8.05 . . . . . . . . 64 Val H . 25255 4 236 . 1 . 1 64 64 VAL C C 13 176 . . . . . . . . 64 Val C . 25255 4 237 . 1 . 1 64 64 VAL CA C 13 62.52 . . . . . . . . 64 Val CA . 25255 4 238 . 1 . 1 64 64 VAL N N 15 119.72 . . . . . . . . 64 Val N . 25255 4 239 . 1 . 1 65 65 GLU H H 1 8.27 . . . . . . . . 65 Glu H . 25255 4 240 . 1 . 1 65 65 GLU C C 13 175.71 . . . . . . . . 65 Glu C . 25255 4 241 . 1 . 1 65 65 GLU CA C 13 55.71 . . . . . . . . 65 Glu CA . 25255 4 242 . 1 . 1 65 65 GLU N N 15 122.98 . . . . . . . . 65 Glu N . 25255 4 243 . 1 . 1 66 66 ILE H H 1 8.15 . . . . . . . . 66 Ile H . 25255 4 244 . 1 . 1 66 66 ILE C C 13 175.84 . . . . . . . . 66 Ile C . 25255 4 245 . 1 . 1 66 66 ILE CA C 13 61.07 . . . . . . . . 66 Ile CA . 25255 4 246 . 1 . 1 66 66 ILE N N 15 121.88 . . . . . . . . 66 Ile N . 25255 4 247 . 1 . 1 67 67 ALA H H 1 8.33 . . . . . . . . 67 Ala H . 25255 4 248 . 1 . 1 67 67 ALA C C 13 177.96 . . . . . . . . 67 Ala C . 25255 4 249 . 1 . 1 67 67 ALA CA C 13 52.85 . . . . . . . . 67 Ala CA . 25255 4 250 . 1 . 1 67 67 ALA N N 15 127.46 . . . . . . . . 67 Ala N . 25255 4 251 . 1 . 1 68 68 GLY H H 1 8.3 . . . . . . . . 68 Gly H . 25255 4 252 . 1 . 1 68 68 GLY C C 13 173.94 . . . . . . . . 68 Gly C . 25255 4 253 . 1 . 1 68 68 GLY CA C 13 45.37 . . . . . . . . 68 Gly CA . 25255 4 254 . 1 . 1 68 68 GLY N N 15 107.11 . . . . . . . . 68 Gly N . 25255 4 255 . 1 . 1 69 69 HIS H H 1 8.23 . . . . . . . . 69 His H . 25255 4 256 . 1 . 1 69 69 HIS C C 13 174.03 . . . . . . . . 69 His C . 25255 4 257 . 1 . 1 69 69 HIS CA C 13 55.16 . . . . . . . . 69 His CA . 25255 4 258 . 1 . 1 69 69 HIS N N 15 117.47 . . . . . . . . 69 His N . 25255 4 259 . 1 . 1 70 70 LYS H H 1 8.33 . . . . . . . . 70 Lys H . 25255 4 260 . 1 . 1 70 70 LYS C C 13 175.86 . . . . . . . . 70 Lys C . 25255 4 261 . 1 . 1 70 70 LYS CA C 13 56.35 . . . . . . . . 70 Lys CA . 25255 4 262 . 1 . 1 70 70 LYS N N 15 122.33 . . . . . . . . 70 Lys N . 25255 4 263 . 1 . 1 71 71 ALA H H 1 8.35 . . . . . . . . 71 Ala H . 25255 4 264 . 1 . 1 71 71 ALA C C 13 177.22 . . . . . . . . 71 Ala C . 25255 4 265 . 1 . 1 71 71 ALA CA C 13 52.28 . . . . . . . . 71 Ala CA . 25255 4 266 . 1 . 1 71 71 ALA N N 15 125.74 . . . . . . . . 71 Ala N . 25255 4 267 . 1 . 1 72 72 ILE H H 1 8.1 . . . . . . . . 72 Ile H . 25255 4 268 . 1 . 1 72 72 ILE C C 13 176.33 . . . . . . . . 72 Ile C . 25255 4 269 . 1 . 1 72 72 ILE CA C 13 61.2 . . . . . . . . 72 Ile CA . 25255 4 270 . 1 . 1 72 72 ILE N N 15 120 . . . . . . . . 72 Ile N . 25255 4 271 . 1 . 1 73 73 GLY H H 1 8.38 . . . . . . . . 73 Gly H . 25255 4 272 . 1 . 1 73 73 GLY C C 13 173.87 . . . . . . . . 73 Gly C . 25255 4 273 . 1 . 1 73 73 GLY CA C 13 45.27 . . . . . . . . 73 Gly CA . 25255 4 274 . 1 . 1 73 73 GLY N N 15 112.29 . . . . . . . . 73 Gly N . 25255 4 275 . 1 . 1 74 74 THR H H 1 7.99 . . . . . . . . 74 Thr H . 25255 4 276 . 1 . 1 74 74 THR C C 13 174.2 . . . . . . . . 74 Thr C . 25255 4 277 . 1 . 1 74 74 THR CA C 13 61.87 . . . . . . . . 74 Thr CA . 25255 4 278 . 1 . 1 74 74 THR N N 15 113.96 . . . . . . . . 74 Thr N . 25255 4 279 . 1 . 1 75 75 VAL H H 1 8.12 . . . . . . . . 75 Val H . 25255 4 280 . 1 . 1 75 75 VAL C C 13 175.42 . . . . . . . . 75 Val C . 25255 4 281 . 1 . 1 75 75 VAL CA C 13 62.1 . . . . . . . . 75 Val CA . 25255 4 282 . 1 . 1 75 75 VAL N N 15 122.35 . . . . . . . . 75 Val N . 25255 4 283 . 1 . 1 76 76 LEU H H 1 8.24 . . . . . . . . 76 Leu H . 25255 4 284 . 1 . 1 76 76 LEU C C 13 176.62 . . . . . . . . 76 Leu C . 25255 4 285 . 1 . 1 76 76 LEU CA C 13 54.93 . . . . . . . . 76 Leu CA . 25255 4 286 . 1 . 1 76 76 LEU N N 15 126.01 . . . . . . . . 76 Leu N . 25255 4 287 . 1 . 1 77 77 VAL H H 1 8.04 . . . . . . . . 77 Val H . 25255 4 288 . 1 . 1 77 77 VAL C C 13 175.84 . . . . . . . . 77 Val C . 25255 4 289 . 1 . 1 77 77 VAL CA C 13 61.87 . . . . . . . . 77 Val CA . 25255 4 290 . 1 . 1 77 77 VAL N N 15 120.8 . . . . . . . . 77 Val N . 25255 4 291 . 1 . 1 78 78 GLY H H 1 8.18 . . . . . . . . 78 Gly H . 25255 4 292 . 1 . 1 78 78 GLY N N 15 112.26 . . . . . . . . 78 Gly N . 25255 4 293 . 1 . 1 79 79 PRO C C 13 176.84 . . . . . . . . 79 Pro C . 25255 4 294 . 1 . 1 79 79 PRO CA C 13 63.04 . . . . . . . . 79 Pro CA . 25255 4 295 . 1 . 1 80 80 THR H H 1 8.19 . . . . . . . . 80 Thr H . 25255 4 296 . 1 . 1 80 80 THR N N 15 116.77 . . . . . . . . 80 Thr N . 25255 4 297 . 1 . 1 81 81 PRO C C 13 176.72 . . . . . . . . 81 Pro C . 25255 4 298 . 1 . 1 81 81 PRO CA C 13 63.32 . . . . . . . . 81 Pro CA . 25255 4 299 . 1 . 1 82 82 VAL H H 1 8.07 . . . . . . . . 82 Val H . 25255 4 300 . 1 . 1 82 82 VAL C C 13 175.72 . . . . . . . . 82 Val C . 25255 4 301 . 1 . 1 82 82 VAL CA C 13 62.43 . . . . . . . . 82 Val CA . 25255 4 302 . 1 . 1 82 82 VAL N N 15 119.06 . . . . . . . . 82 Val N . 25255 4 303 . 1 . 1 83 83 ASN H H 1 8.36 . . . . . . . . 83 Asn H . 25255 4 304 . 1 . 1 83 83 ASN C C 13 174.92 . . . . . . . . 83 Asn C . 25255 4 305 . 1 . 1 83 83 ASN CA C 13 53.23 . . . . . . . . 83 Asn CA . 25255 4 306 . 1 . 1 83 83 ASN N N 15 121.36 . . . . . . . . 83 Asn N . 25255 4 307 . 1 . 1 84 84 ILE H H 1 8.01 . . . . . . . . 84 Ile H . 25255 4 308 . 1 . 1 84 84 ILE C C 13 176.07 . . . . . . . . 84 Ile C . 25255 4 309 . 1 . 1 84 84 ILE CA C 13 61.44 . . . . . . . . 84 Ile CA . 25255 4 310 . 1 . 1 84 84 ILE N N 15 120.73 . . . . . . . . 84 Ile N . 25255 4 311 . 1 . 1 85 85 ILE H H 1 8.01 . . . . . . . . 85 Ile H . 25255 4 312 . 1 . 1 85 85 ILE C C 13 176.77 . . . . . . . . 85 Ile C . 25255 4 313 . 1 . 1 85 85 ILE CA C 13 61.72 . . . . . . . . 85 Ile CA . 25255 4 314 . 1 . 1 85 85 ILE N N 15 123.5 . . . . . . . . 85 Ile N . 25255 4 315 . 1 . 1 86 86 GLY H H 1 8.32 . . . . . . . . 86 Gly H . 25255 4 316 . 1 . 1 86 86 GLY C C 13 174.21 . . . . . . . . 86 Gly C . 25255 4 317 . 1 . 1 86 86 GLY CA C 13 45.59 . . . . . . . . 86 Gly CA . 25255 4 318 . 1 . 1 86 86 GLY N N 15 111.74 . . . . . . . . 86 Gly N . 25255 4 319 . 1 . 1 87 87 ARG H H 1 8.07 . . . . . . . . 87 Arg H . 25255 4 320 . 1 . 1 87 87 ARG C C 13 176.11 . . . . . . . . 87 Arg C . 25255 4 321 . 1 . 1 87 87 ARG CA C 13 56.52 . . . . . . . . 87 Arg CA . 25255 4 322 . 1 . 1 87 87 ARG N N 15 120 . . . . . . . . 87 Arg N . 25255 4 323 . 1 . 1 88 88 ASN H H 1 8.42 . . . . . . . . 88 Asn H . 25255 4 324 . 1 . 1 88 88 ASN C C 13 175.31 . . . . . . . . 88 Asn C . 25255 4 325 . 1 . 1 88 88 ASN CA C 13 53.63 . . . . . . . . 88 Asn CA . 25255 4 326 . 1 . 1 88 88 ASN N N 15 118.9 . . . . . . . . 88 Asn N . 25255 4 327 . 1 . 1 89 89 LEU H H 1 8.13 . . . . . . . . 89 Leu H . 25255 4 328 . 1 . 1 89 89 LEU C C 13 177.42 . . . . . . . . 89 Leu C . 25255 4 329 . 1 . 1 89 89 LEU CA C 13 55.83 . . . . . . . . 89 Leu CA . 25255 4 330 . 1 . 1 89 89 LEU N N 15 121.9 . . . . . . . . 89 Leu N . 25255 4 331 . 1 . 1 90 90 LEU H H 1 8.07 . . . . . . . . 90 Leu H . 25255 4 332 . 1 . 1 90 90 LEU C C 13 177.63 . . . . . . . . 90 Leu C . 25255 4 333 . 1 . 1 90 90 LEU CA C 13 55.72 . . . . . . . . 90 Leu CA . 25255 4 334 . 1 . 1 90 90 LEU N N 15 120.57 . . . . . . . . 90 Leu N . 25255 4 335 . 1 . 1 91 91 THR H H 1 7.88 . . . . . . . . 91 Thr H . 25255 4 336 . 1 . 1 91 91 THR C C 13 174.58 . . . . . . . . 91 Thr C . 25255 4 337 . 1 . 1 91 91 THR CA C 13 62.22 . . . . . . . . 91 Thr CA . 25255 4 338 . 1 . 1 91 91 THR N N 15 112.92 . . . . . . . . 91 Thr N . 25255 4 339 . 1 . 1 92 92 GLN H H 1 8.15 . . . . . . . . 92 Gln H . 25255 4 340 . 1 . 1 92 92 GLN C C 13 176.17 . . . . . . . . 92 Gln C . 25255 4 341 . 1 . 1 92 92 GLN CA C 13 56.05 . . . . . . . . 92 Gln CA . 25255 4 342 . 1 . 1 92 92 GLN N N 15 121.88 . . . . . . . . 92 Gln N . 25255 4 343 . 1 . 1 93 93 ILE H H 1 8.06 . . . . . . . . 93 Ile H . 25255 4 344 . 1 . 1 93 93 ILE N N 15 120.92 . . . . . . . . 93 Ile N . 25255 4 345 . 1 . 1 94 94 GLY H H 1 8.32 . . . . . . . . 94 Gly H . 25255 4 346 . 1 . 1 94 94 GLY C C 13 173.42 . . . . . . . . 94 Gly C . 25255 4 347 . 1 . 1 94 94 GLY CA C 13 45.18 . . . . . . . . 94 Gly CA . 25255 4 348 . 1 . 1 94 94 GLY N N 15 112.29 . . . . . . . . 94 Gly N . 25255 4 349 . 1 . 1 95 95 ALA H H 1 8.02 . . . . . . . . 95 Ala H . 25255 4 350 . 1 . 1 95 95 ALA N N 15 123.82 . . . . . . . . 95 Ala N . 25255 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_5C_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 5C_assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25255 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $5C_pH6_lowIS _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 25 '2D 1H-15N HSQC' . . . 25255 5 26 '3D HNCA' . . . 25255 5 27 '3D HN(CO)CA' . . . 25255 5 28 '3D HNCO' . . . 25255 5 29 '3D CBCA(CO)NH' . . . 25255 5 30 '3D HNCACB' . . . 25255 5 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 PRO C C 13 178.42 . . . . . . . . 1 Pro C . 25255 5 2 . 1 . 1 1 1 PRO CA C 13 62.21 . . . . . . . . 1 Pro CA . 25255 5 3 . 1 . 1 2 2 GLN H H 1 8.91 . . . . . . . . 2 Gln H . 25255 5 4 . 1 . 1 2 2 GLN C C 13 176.02 . . . . . . . . 2 Gln C . 25255 5 5 . 1 . 1 2 2 GLN CA C 13 55.66 . . . . . . . . 2 Gln CA . 25255 5 6 . 1 . 1 2 2 GLN N N 15 120.36 . . . . . . . . 2 Gln N . 25255 5 7 . 1 . 1 3 3 ILE H H 1 8.55 . . . . . . . . 3 Ile H . 25255 5 8 . 1 . 1 3 3 ILE C C 13 176.29 . . . . . . . . 3 Ile C . 25255 5 9 . 1 . 1 3 3 ILE CA C 13 61.1 . . . . . . . . 3 Ile CA . 25255 5 10 . 1 . 1 3 3 ILE N N 15 124.43 . . . . . . . . 3 Ile N . 25255 5 11 . 1 . 1 4 4 THR H H 1 8.49 . . . . . . . . 4 Thr H . 25255 5 12 . 1 . 1 4 4 THR C C 13 174.04 . . . . . . . . 4 Thr C . 25255 5 13 . 1 . 1 4 4 THR CA C 13 61.83 . . . . . . . . 4 Thr CA . 25255 5 14 . 1 . 1 4 4 THR N N 15 120.84 . . . . . . . . 4 Thr N . 25255 5 15 . 1 . 1 5 5 LEU H H 1 8.45 . . . . . . . . 5 Leu H . 25255 5 16 . 1 . 1 5 5 LEU C C 13 176.72 . . . . . . . . 5 Leu C . 25255 5 17 . 1 . 1 5 5 LEU CA C 13 55.03 . . . . . . . . 5 Leu CA . 25255 5 18 . 1 . 1 5 5 LEU N N 15 126.14 . . . . . . . . 5 Leu N . 25255 5 19 . 1 . 1 6 6 TRP H H 1 8.3 . . . . . . . . 6 Trp H . 25255 5 20 . 1 . 1 6 6 TRP C C 13 175.67 . . . . . . . . 6 Trp C . 25255 5 21 . 1 . 1 6 6 TRP CA C 13 57.47 . . . . . . . . 6 Trp CA . 25255 5 22 . 1 . 1 6 6 TRP N N 15 122.75 . . . . . . . . 6 Trp N . 25255 5 23 . 1 . 1 7 7 LYS H H 1 8.05 . . . . . . . . 7 Lys H . 25255 5 24 . 1 . 1 7 7 LYS C C 13 175.16 . . . . . . . . 7 Lys C . 25255 5 25 . 1 . 1 7 7 LYS CA C 13 55.43 . . . . . . . . 7 Lys CA . 25255 5 26 . 1 . 1 7 7 LYS N N 15 124.64 . . . . . . . . 7 Lys N . 25255 5 27 . 1 . 1 8 8 ARG H H 1 8.24 . . . . . . . . 8 Arg H . 25255 5 28 . 1 . 1 8 8 ARG CA C 13 54.17 . . . . . . . . 8 Arg CA . 25255 5 29 . 1 . 1 8 8 ARG N N 15 124.32 . . . . . . . . 8 Arg N . 25255 5 30 . 1 . 1 9 9 PRO C C 13 176.58 . . . . . . . . 9 Pro C . 25255 5 31 . 1 . 1 9 9 PRO CA C 13 62.84 . . . . . . . . 9 Pro CA . 25255 5 32 . 1 . 1 10 10 LEU H H 1 8.48 . . . . . . . . 10 Leu H . 25255 5 33 . 1 . 1 10 10 LEU C C 13 177.39 . . . . . . . . 10 Leu C . 25255 5 34 . 1 . 1 10 10 LEU CA C 13 55.27 . . . . . . . . 10 Leu CA . 25255 5 35 . 1 . 1 10 10 LEU N N 15 123.21 . . . . . . . . 10 Leu N . 25255 5 36 . 1 . 1 11 11 VAL H H 1 8.34 . . . . . . . . 11 Val H . 25255 5 37 . 1 . 1 11 11 VAL C C 13 176.02 . . . . . . . . 11 Val C . 25255 5 38 . 1 . 1 11 11 VAL CA C 13 62 . . . . . . . . 11 Val CA . 25255 5 39 . 1 . 1 11 11 VAL N N 15 122.45 . . . . . . . . 11 Val N . 25255 5 40 . 1 . 1 12 12 THR H H 1 8.48 . . . . . . . . 12 Thr H . 25255 5 41 . 1 . 1 12 12 THR C C 13 174.19 . . . . . . . . 12 Thr C . 25255 5 42 . 1 . 1 12 12 THR CA C 13 61.79 . . . . . . . . 12 Thr CA . 25255 5 43 . 1 . 1 12 12 THR N N 15 120.21 . . . . . . . . 12 Thr N . 25255 5 44 . 1 . 1 13 13 ILE H H 1 8.43 . . . . . . . . 13 Ile H . 25255 5 45 . 1 . 1 13 13 ILE C C 13 175.65 . . . . . . . . 13 Ile C . 25255 5 46 . 1 . 1 13 13 ILE CA C 13 60.81 . . . . . . . . 13 Ile CA . 25255 5 47 . 1 . 1 13 13 ILE N N 15 124.87 . . . . . . . . 13 Ile N . 25255 5 48 . 1 . 1 14 14 ARG H H 1 8.6 . . . . . . . . 14 Arg H . 25255 5 49 . 1 . 1 14 14 ARG C C 13 175.79 . . . . . . . . 14 Arg C . 25255 5 50 . 1 . 1 14 14 ARG CA C 13 55.91 . . . . . . . . 14 Arg CA . 25255 5 51 . 1 . 1 14 14 ARG N N 15 126.53 . . . . . . . . 14 Arg N . 25255 5 52 . 1 . 1 15 15 ILE H H 1 8.61 . . . . . . . . 15 Ile H . 25255 5 53 . 1 . 1 15 15 ILE C C 13 176.94 . . . . . . . . 15 Ile C . 25255 5 54 . 1 . 1 15 15 ILE CA C 13 61.1 . . . . . . . . 15 Ile CA . 25255 5 55 . 1 . 1 15 15 ILE N N 15 124.28 . . . . . . . . 15 Ile N . 25255 5 56 . 1 . 1 16 16 GLY H H 1 8.82 . . . . . . . . 16 Gly H . 25255 5 57 . 1 . 1 16 16 GLY C C 13 174.86 . . . . . . . . 16 Gly C . 25255 5 58 . 1 . 1 16 16 GLY CA C 13 45.42 . . . . . . . . 16 Gly CA . 25255 5 59 . 1 . 1 16 16 GLY N N 15 114.55 . . . . . . . . 16 Gly N . 25255 5 60 . 1 . 1 17 17 GLY H H 1 8.5 . . . . . . . . 17 Gly H . 25255 5 61 . 1 . 1 17 17 GLY C C 13 174.15 . . . . . . . . 17 Gly C . 25255 5 62 . 1 . 1 17 17 GLY CA C 13 45.19 . . . . . . . . 17 Gly CA . 25255 5 63 . 1 . 1 17 17 GLY N N 15 108.84 . . . . . . . . 17 Gly N . 25255 5 64 . 1 . 1 18 18 GLN H H 1 8.39 . . . . . . . . 18 Gln H . 25255 5 65 . 1 . 1 18 18 GLN C C 13 176.08 . . . . . . . . 18 Gln C . 25255 5 66 . 1 . 1 18 18 GLN CA C 13 55.72 . . . . . . . . 18 Gln CA . 25255 5 67 . 1 . 1 18 18 GLN N N 15 119.84 . . . . . . . . 18 Gln N . 25255 5 68 . 1 . 1 19 19 LEU H H 1 8.51 . . . . . . . . 19 Leu H . 25255 5 69 . 1 . 1 19 19 LEU C C 13 177.46 . . . . . . . . 19 Leu C . 25255 5 70 . 1 . 1 19 19 LEU CA C 13 55.34 . . . . . . . . 19 Leu CA . 25255 5 71 . 1 . 1 19 19 LEU N N 15 123.94 . . . . . . . . 19 Leu N . 25255 5 72 . 1 . 1 20 20 LYS H H 1 8.51 . . . . . . . . 20 Lys H . 25255 5 73 . 1 . 1 20 20 LYS C C 13 176.56 . . . . . . . . 20 Lys C . 25255 5 74 . 1 . 1 20 20 LYS CA C 13 56.47 . . . . . . . . 20 Lys CA . 25255 5 75 . 1 . 1 20 20 LYS N N 15 122.69 . . . . . . . . 20 Lys N . 25255 5 76 . 1 . 1 21 21 GLU H H 1 8.53 . . . . . . . . 21 Glu H . 25255 5 77 . 1 . 1 21 21 GLU C C 13 176.25 . . . . . . . . 21 Glu C . 25255 5 78 . 1 . 1 21 21 GLU CA C 13 56.73 . . . . . . . . 21 Glu CA . 25255 5 79 . 1 . 1 21 21 GLU N N 15 122.07 . . . . . . . . 21 Glu N . 25255 5 80 . 1 . 1 22 22 ALA H H 1 8.43 . . . . . . . . 22 Ala H . 25255 5 81 . 1 . 1 22 22 ALA C C 13 177.64 . . . . . . . . 22 Ala C . 25255 5 82 . 1 . 1 22 22 ALA CA C 13 52.56 . . . . . . . . 22 Ala CA . 25255 5 83 . 1 . 1 22 22 ALA N N 15 125.31 . . . . . . . . 22 Ala N . 25255 5 84 . 1 . 1 23 23 LEU H H 1 8.29 . . . . . . . . 23 Leu H . 25255 5 85 . 1 . 1 23 23 LEU C C 13 177.43 . . . . . . . . 23 Leu C . 25255 5 86 . 1 . 1 23 23 LEU CA C 13 54.98 . . . . . . . . 23 Leu CA . 25255 5 87 . 1 . 1 23 23 LEU N N 15 121.29 . . . . . . . . 23 Leu N . 25255 5 88 . 1 . 1 24 24 LEU H H 1 8.3 . . . . . . . . 24 Leu H . 25255 5 89 . 1 . 1 24 24 LEU C C 13 177.05 . . . . . . . . 24 Leu C . 25255 5 90 . 1 . 1 24 24 LEU CA C 13 55.09 . . . . . . . . 24 Leu CA . 25255 5 91 . 1 . 1 24 24 LEU N N 15 123.05 . . . . . . . . 24 Leu N . 25255 5 92 . 1 . 1 25 25 ASN H H 1 8.59 . . . . . . . . 25 Asn H . 25255 5 93 . 1 . 1 25 25 ASN C C 13 175.58 . . . . . . . . 25 Asn C . 25255 5 94 . 1 . 1 25 25 ASN CA C 13 53.18 . . . . . . . . 25 Asn CA . 25255 5 95 . 1 . 1 25 25 ASN N N 15 119.94 . . . . . . . . 25 Asn N . 25255 5 96 . 1 . 1 26 26 THR H H 1 8.33 . . . . . . . . 26 Thr H . 25255 5 97 . 1 . 1 26 26 THR C C 13 175.39 . . . . . . . . 26 Thr C . 25255 5 98 . 1 . 1 26 26 THR CA C 13 62.07 . . . . . . . . 26 Thr CA . 25255 5 99 . 1 . 1 26 26 THR N N 15 114.07 . . . . . . . . 26 Thr N . 25255 5 100 . 1 . 1 27 27 GLY H H 1 8.59 . . . . . . . . 27 Gly H . 25255 5 101 . 1 . 1 27 27 GLY C C 13 173.99 . . . . . . . . 27 Gly C . 25255 5 102 . 1 . 1 27 27 GLY CA C 13 45.26 . . . . . . . . 27 Gly CA . 25255 5 103 . 1 . 1 27 27 GLY N N 15 111.44 . . . . . . . . 27 Gly N . 25255 5 104 . 1 . 1 28 28 ALA H H 1 8.25 . . . . . . . . 28 Ala H . 25255 5 105 . 1 . 1 28 28 ALA C C 13 177.6 . . . . . . . . 28 Ala C . 25255 5 106 . 1 . 1 28 28 ALA CA C 13 52.58 . . . . . . . . 28 Ala CA . 25255 5 107 . 1 . 1 28 28 ALA N N 15 123.82 . . . . . . . . 28 Ala N . 25255 5 108 . 1 . 1 29 29 ASP H H 1 8.45 . . . . . . . . 29 Asp H . 25255 5 109 . 1 . 1 29 29 ASP C C 13 176.21 . . . . . . . . 29 Asp C . 25255 5 110 . 1 . 1 29 29 ASP CA C 13 54.3 . . . . . . . . 29 Asp CA . 25255 5 111 . 1 . 1 29 29 ASP N N 15 119.47 . . . . . . . . 29 Asp N . 25255 5 112 . 1 . 1 30 30 ASP H H 1 8.39 . . . . . . . . 30 Asp H . 25255 5 113 . 1 . 1 30 30 ASP C C 13 176.72 . . . . . . . . 30 Asp C . 25255 5 114 . 1 . 1 30 30 ASP CA C 13 54.6 . . . . . . . . 30 Asp CA . 25255 5 115 . 1 . 1 30 30 ASP N N 15 121.38 . . . . . . . . 30 Asp N . 25255 5 116 . 1 . 1 31 31 THR H H 1 8.26 . . . . . . . . 31 Thr H . 25255 5 117 . 1 . 1 31 31 THR C C 13 174.85 . . . . . . . . 31 Thr C . 25255 5 118 . 1 . 1 31 31 THR CA C 13 63 . . . . . . . . 31 Thr CA . 25255 5 119 . 1 . 1 31 31 THR N N 15 115.1 . . . . . . . . 31 Thr N . 25255 5 120 . 1 . 1 32 32 VAL H H 1 8.2 . . . . . . . . 32 Val H . 25255 5 121 . 1 . 1 32 32 VAL C C 13 176.35 . . . . . . . . 32 Val C . 25255 5 122 . 1 . 1 32 32 VAL CA C 13 62.8 . . . . . . . . 32 Val CA . 25255 5 123 . 1 . 1 32 32 VAL N N 15 123.61 . . . . . . . . 32 Val N . 25255 5 124 . 1 . 1 33 33 LEU H H 1 8.37 . . . . . . . . 33 Leu H . 25255 5 125 . 1 . 1 33 33 LEU C C 13 177.68 . . . . . . . . 33 Leu C . 25255 5 126 . 1 . 1 33 33 LEU CA C 13 55.45 . . . . . . . . 33 Leu CA . 25255 5 127 . 1 . 1 33 33 LEU N N 15 126.08 . . . . . . . . 33 Leu N . 25255 5 128 . 1 . 1 34 34 GLU H H 1 8.47 . . . . . . . . 34 Glu H . 25255 5 129 . 1 . 1 34 34 GLU C C 13 176.88 . . . . . . . . 34 Glu C . 25255 5 130 . 1 . 1 34 34 GLU CA C 13 57.02 . . . . . . . . 34 Glu CA . 25255 5 131 . 1 . 1 34 34 GLU N N 15 121.86 . . . . . . . . 34 Glu N . 25255 5 132 . 1 . 1 35 35 GLU H H 1 8.49 . . . . . . . . 35 Glu H . 25255 5 133 . 1 . 1 35 35 GLU C C 13 176.85 . . . . . . . . 35 Glu C . 25255 5 134 . 1 . 1 35 35 GLU CA C 13 57.12 . . . . . . . . 35 Glu CA . 25255 5 135 . 1 . 1 35 35 GLU N N 15 121.7 . . . . . . . . 35 Glu N . 25255 5 136 . 1 . 1 36 36 MET H H 1 8.36 . . . . . . . . 36 Met H . 25255 5 137 . 1 . 1 36 36 MET C C 13 176.06 . . . . . . . . 36 Met C . 25255 5 138 . 1 . 1 36 36 MET CA C 13 55.93 . . . . . . . . 36 Met CA . 25255 5 139 . 1 . 1 36 36 MET N N 15 120.26 . . . . . . . . 36 Met N . 25255 5 140 . 1 . 1 37 37 ASN H H 1 8.46 . . . . . . . . 37 Asn H . 25255 5 141 . 1 . 1 37 37 ASN C C 13 174.75 . . . . . . . . 37 Asn C . 25255 5 142 . 1 . 1 37 37 ASN CA C 13 53.13 . . . . . . . . 37 Asn CA . 25255 5 143 . 1 . 1 37 37 ASN N N 15 118.71 . . . . . . . . 37 Asn N . 25255 5 144 . 1 . 1 38 38 LEU H H 1 8.07 . . . . . . . . 38 Leu H . 25255 5 145 . 1 . 1 38 38 LEU CA C 13 53.37 . . . . . . . . 38 Leu CA . 25255 5 146 . 1 . 1 38 38 LEU N N 15 123.22 . . . . . . . . 38 Leu N . 25255 5 147 . 1 . 1 39 39 PRO C C 13 177.82 . . . . . . . . 39 Pro C . 25255 5 148 . 1 . 1 39 39 PRO CA C 13 63.67 . . . . . . . . 39 Pro CA . 25255 5 149 . 1 . 1 40 40 GLY H H 1 8.58 . . . . . . . . 40 Gly H . 25255 5 150 . 1 . 1 40 40 GLY C C 13 174.3 . . . . . . . . 40 Gly C . 25255 5 151 . 1 . 1 40 40 GLY CA C 13 45.39 . . . . . . . . 40 Gly CA . 25255 5 152 . 1 . 1 40 40 GLY N N 15 109.35 . . . . . . . . 40 Gly N . 25255 5 153 . 1 . 1 41 41 LYS H H 1 8.05 . . . . . . . . 41 Lys H . 25255 5 154 . 1 . 1 41 41 LYS C C 13 176.22 . . . . . . . . 41 Lys C . 25255 5 155 . 1 . 1 41 41 LYS CA C 13 56.22 . . . . . . . . 41 Lys CA . 25255 5 156 . 1 . 1 41 41 LYS N N 15 120.48 . . . . . . . . 41 Lys N . 25255 5 157 . 1 . 1 42 42 TRP H H 1 8.28 . . . . . . . . 42 Trp H . 25255 5 158 . 1 . 1 42 42 TRP C C 13 175.68 . . . . . . . . 42 Trp C . 25255 5 159 . 1 . 1 42 42 TRP CA C 13 57.51 . . . . . . . . 42 Trp CA . 25255 5 160 . 1 . 1 42 42 TRP N N 15 122.17 . . . . . . . . 42 Trp N . 25255 5 161 . 1 . 1 43 43 LYS H H 1 7.97 . . . . . . . . 43 Lys H . 25255 5 162 . 1 . 1 43 43 LYS CA C 13 53.73 . . . . . . . . 43 Lys CA . 25255 5 163 . 1 . 1 43 43 LYS N N 15 125.25 . . . . . . . . 43 Lys N . 25255 5 164 . 1 . 1 44 44 PRO C C 13 176.73 . . . . . . . . 44 Pro C . 25255 5 165 . 1 . 1 44 44 PRO CA C 13 62.72 . . . . . . . . 44 Pro CA . 25255 5 166 . 1 . 1 45 45 LYS H H 1 8.5 . . . . . . . . 45 Lys H . 25255 5 167 . 1 . 1 45 45 LYS C C 13 176.52 . . . . . . . . 45 Lys C . 25255 5 168 . 1 . 1 45 45 LYS CA C 13 56.3 . . . . . . . . 45 Lys CA . 25255 5 169 . 1 . 1 45 45 LYS N N 15 121.66 . . . . . . . . 45 Lys N . 25255 5 170 . 1 . 1 46 46 MET H H 1 8.53 . . . . . . . . 46 Met H . 25255 5 171 . 1 . 1 46 46 MET C C 13 176.06 . . . . . . . . 46 Met C . 25255 5 172 . 1 . 1 46 46 MET CA C 13 55.14 . . . . . . . . 46 Met CA . 25255 5 173 . 1 . 1 46 46 MET N N 15 122.51 . . . . . . . . 46 Met N . 25255 5 174 . 1 . 1 47 47 ILE H H 1 8.46 . . . . . . . . 47 Ile H . 25255 5 175 . 1 . 1 47 47 ILE C C 13 176.72 . . . . . . . . 47 Ile C . 25255 5 176 . 1 . 1 47 47 ILE CA C 13 61.19 . . . . . . . . 47 Ile CA . 25255 5 177 . 1 . 1 47 47 ILE N N 15 123.57 . . . . . . . . 47 Ile N . 25255 5 178 . 1 . 1 48 48 GLY H H 1 8.7 . . . . . . . . 48 Gly H . 25255 5 179 . 1 . 1 48 48 GLY C C 13 174.5 . . . . . . . . 48 Gly C . 25255 5 180 . 1 . 1 48 48 GLY CA C 13 45.18 . . . . . . . . 48 Gly CA . 25255 5 181 . 1 . 1 48 48 GLY N N 15 113.71 . . . . . . . . 48 Gly N . 25255 5 182 . 1 . 1 49 49 GLY H H 1 8.35 . . . . . . . . 49 Gly H . 25255 5 183 . 1 . 1 49 49 GLY C C 13 174.36 . . . . . . . . 49 Gly C . 25255 5 184 . 1 . 1 49 49 GLY CA C 13 45.07 . . . . . . . . 49 Gly CA . 25255 5 185 . 1 . 1 49 49 GLY N N 15 108.66 . . . . . . . . 49 Gly N . 25255 5 186 . 1 . 1 50 50 ILE H H 1 8.28 . . . . . . . . 50 Ile H . 25255 5 187 . 1 . 1 50 50 ILE C C 13 177.17 . . . . . . . . 50 Ile C . 25255 5 188 . 1 . 1 50 50 ILE CA C 13 61.52 . . . . . . . . 50 Ile CA . 25255 5 189 . 1 . 1 50 50 ILE N N 15 120.15 . . . . . . . . 50 Ile N . 25255 5 190 . 1 . 1 51 51 GLY H H 1 8.72 . . . . . . . . 51 Gly H . 25255 5 191 . 1 . 1 51 51 GLY C C 13 174.55 . . . . . . . . 51 Gly C . 25255 5 192 . 1 . 1 51 51 GLY CA C 13 45.3 . . . . . . . . 51 Gly CA . 25255 5 193 . 1 . 1 51 51 GLY N N 15 113.2 . . . . . . . . 51 Gly N . 25255 5 194 . 1 . 1 52 52 GLY H H 1 8.23 . . . . . . . . 52 Gly H . 25255 5 195 . 1 . 1 52 52 GLY C C 13 173.69 . . . . . . . . 52 Gly C . 25255 5 196 . 1 . 1 52 52 GLY CA C 13 45.02 . . . . . . . . 52 Gly CA . 25255 5 197 . 1 . 1 52 52 GLY N N 15 108.63 . . . . . . . . 52 Gly N . 25255 5 198 . 1 . 1 53 53 PHE H H 1 8.21 . . . . . . . . 53 Phe H . 25255 5 199 . 1 . 1 53 53 PHE C C 13 175.61 . . . . . . . . 53 Phe C . 25255 5 200 . 1 . 1 53 53 PHE CA C 13 57.84 . . . . . . . . 53 Phe CA . 25255 5 201 . 1 . 1 53 53 PHE N N 15 120.05 . . . . . . . . 53 Phe N . 25255 5 202 . 1 . 1 54 54 ILE H H 1 8.23 . . . . . . . . 54 Ile H . 25255 5 203 . 1 . 1 54 54 ILE C C 13 175.52 . . . . . . . . 54 Ile C . 25255 5 204 . 1 . 1 54 54 ILE CA C 13 60.67 . . . . . . . . 54 Ile CA . 25255 5 205 . 1 . 1 54 54 ILE N N 15 123.89 . . . . . . . . 54 Ile N . 25255 5 206 . 1 . 1 55 55 LYS H H 1 8.47 . . . . . . . . 55 Lys H . 25255 5 207 . 1 . 1 55 55 LYS C C 13 176.35 . . . . . . . . 55 Lys C . 25255 5 208 . 1 . 1 55 55 LYS CA C 13 56.25 . . . . . . . . 55 Lys CA . 25255 5 209 . 1 . 1 55 55 LYS N N 15 126.64 . . . . . . . . 55 Lys N . 25255 5 210 . 1 . 1 56 56 VAL H H 1 8.36 . . . . . . . . 56 Val H . 25255 5 211 . 1 . 1 56 56 VAL C C 13 175.99 . . . . . . . . 56 Val C . 25255 5 212 . 1 . 1 56 56 VAL CA C 13 62.22 . . . . . . . . 56 Val CA . 25255 5 213 . 1 . 1 56 56 VAL N N 15 123.01 . . . . . . . . 56 Val N . 25255 5 214 . 1 . 1 57 57 ARG H H 1 8.56 . . . . . . . . 57 Arg H . 25255 5 215 . 1 . 1 57 57 ARG C C 13 175.78 . . . . . . . . 57 Arg C . 25255 5 216 . 1 . 1 57 57 ARG CA C 13 56.04 . . . . . . . . 57 Arg CA . 25255 5 217 . 1 . 1 57 57 ARG N N 15 125.76 . . . . . . . . 57 Arg N . 25255 5 218 . 1 . 1 58 58 GLN H H 1 8.52 . . . . . . . . 58 Gln H . 25255 5 219 . 1 . 1 58 58 GLN C C 13 175.67 . . . . . . . . 58 Gln C . 25255 5 220 . 1 . 1 58 58 GLN CA C 13 55.75 . . . . . . . . 58 Gln CA . 25255 5 221 . 1 . 1 58 58 GLN N N 15 122.52 . . . . . . . . 58 Gln N . 25255 5 222 . 1 . 1 59 59 TYR H H 1 8.43 . . . . . . . . 59 Tyr H . 25255 5 223 . 1 . 1 59 59 TYR C C 13 175.55 . . . . . . . . 59 Tyr C . 25255 5 224 . 1 . 1 59 59 TYR CA C 13 57.82 . . . . . . . . 59 Tyr CA . 25255 5 225 . 1 . 1 59 59 TYR N N 15 121.27 . . . . . . . . 59 Tyr N . 25255 5 226 . 1 . 1 60 60 ASP H H 1 8.4 . . . . . . . . 60 Asp H . 25255 5 227 . 1 . 1 60 60 ASP C C 13 175.89 . . . . . . . . 60 Asp C . 25255 5 228 . 1 . 1 60 60 ASP CA C 13 54.39 . . . . . . . . 60 Asp CA . 25255 5 229 . 1 . 1 60 60 ASP N N 15 121.62 . . . . . . . . 60 Asp N . 25255 5 230 . 1 . 1 61 61 GLN H H 1 8.31 . . . . . . . . 61 Gln H . 25255 5 231 . 1 . 1 61 61 GLN C C 13 175.74 . . . . . . . . 61 Gln C . 25255 5 232 . 1 . 1 61 61 GLN CA C 13 55.48 . . . . . . . . 61 Gln CA . 25255 5 233 . 1 . 1 61 61 GLN N N 15 120.07 . . . . . . . . 61 Gln N . 25255 5 234 . 1 . 1 62 62 ILE H H 1 8.37 . . . . . . . . 62 Ile H . 25255 5 235 . 1 . 1 62 62 ILE CA C 13 58.97 . . . . . . . . 62 Ile CA . 25255 5 236 . 1 . 1 62 62 ILE N N 15 124.77 . . . . . . . . 62 Ile N . 25255 5 237 . 1 . 1 63 63 PRO C C 13 176.87 . . . . . . . . 63 Pro C . 25255 5 238 . 1 . 1 63 63 PRO CA C 13 63.18 . . . . . . . . 63 Pro CA . 25255 5 239 . 1 . 1 64 64 VAL H H 1 8.38 . . . . . . . . 64 Val H . 25255 5 240 . 1 . 1 64 64 VAL C C 13 176.35 . . . . . . . . 64 Val C . 25255 5 241 . 1 . 1 64 64 VAL CA C 13 62.56 . . . . . . . . 64 Val CA . 25255 5 242 . 1 . 1 64 64 VAL N N 15 121.38 . . . . . . . . 64 Val N . 25255 5 243 . 1 . 1 65 65 GLU H H 1 8.65 . . . . . . . . 65 Glu H . 25255 5 244 . 1 . 1 65 65 GLU C C 13 176.39 . . . . . . . . 65 Glu C . 25255 5 245 . 1 . 1 65 65 GLU CA C 13 56.35 . . . . . . . . 65 Glu CA . 25255 5 246 . 1 . 1 65 65 GLU N N 15 125.27 . . . . . . . . 65 Glu N . 25255 5 247 . 1 . 1 66 66 ILE H H 1 8.43 . . . . . . . . 66 Ile H . 25255 5 248 . 1 . 1 66 66 ILE C C 13 176.25 . . . . . . . . 66 Ile C . 25255 5 249 . 1 . 1 66 66 ILE CA C 13 61.04 . . . . . . . . 66 Ile CA . 25255 5 250 . 1 . 1 66 66 ILE N N 15 123.53 . . . . . . . . 66 Ile N . 25255 5 251 . 1 . 1 67 67 ALA H H 1 8.59 . . . . . . . . 67 Ala H . 25255 5 252 . 1 . 1 67 67 ALA C C 13 178.36 . . . . . . . . 67 Ala C . 25255 5 253 . 1 . 1 67 67 ALA CA C 13 52.97 . . . . . . . . 67 Ala CA . 25255 5 254 . 1 . 1 67 67 ALA N N 15 128.63 . . . . . . . . 67 Ala N . 25255 5 255 . 1 . 1 68 68 GLY H H 1 8.54 . . . . . . . . 68 Gly H . 25255 5 256 . 1 . 1 68 68 GLY C C 13 174.07 . . . . . . . . 68 Gly C . 25255 5 257 . 1 . 1 68 68 GLY CA C 13 45.16 . . . . . . . . 68 Gly CA . 25255 5 258 . 1 . 1 68 68 GLY N N 15 112.35 . . . . . . . . 68 Gly N . 25255 5 259 . 1 . 1 69 69 HIS H H 1 8.36 . . . . . . . . 69 His H . 25255 5 260 . 1 . 1 69 69 HIS C C 13 174.62 . . . . . . . . 69 His C . 25255 5 261 . 1 . 1 69 69 HIS CA C 13 55.54 . . . . . . . . 69 His CA . 25255 5 262 . 1 . 1 69 69 HIS N N 15 118.55 . . . . . . . . 69 His N . 25255 5 263 . 1 . 1 70 70 LYS H H 1 8.49 . . . . . . . . 70 Lys H . 25255 5 264 . 1 . 1 70 70 LYS C C 13 176.09 . . . . . . . . 70 Lys C . 25255 5 265 . 1 . 1 70 70 LYS CA C 13 56.13 . . . . . . . . 70 Lys CA . 25255 5 266 . 1 . 1 70 70 LYS N N 15 123.56 . . . . . . . . 70 Lys N . 25255 5 267 . 1 . 1 71 71 ALA H H 1 8.57 . . . . . . . . 71 Ala H . 25255 5 268 . 1 . 1 71 71 ALA C C 13 177.79 . . . . . . . . 71 Ala C . 25255 5 269 . 1 . 1 71 71 ALA CA C 13 52.33 . . . . . . . . 71 Ala CA . 25255 5 270 . 1 . 1 71 71 ALA N N 15 126.5 . . . . . . . . 71 Ala N . 25255 5 271 . 1 . 1 72 72 ILE H H 1 8.41 . . . . . . . . 72 Ile H . 25255 5 272 . 1 . 1 72 72 ILE C C 13 176.91 . . . . . . . . 72 Ile C . 25255 5 273 . 1 . 1 72 72 ILE CA C 13 61.33 . . . . . . . . 72 Ile CA . 25255 5 274 . 1 . 1 72 72 ILE N N 15 121.41 . . . . . . . . 72 Ile N . 25255 5 275 . 1 . 1 73 73 GLY H H 1 8.63 . . . . . . . . 73 Gly H . 25255 5 276 . 1 . 1 73 73 GLY C C 13 174.08 . . . . . . . . 73 Gly C . 25255 5 277 . 1 . 1 73 73 GLY CA C 13 45.12 . . . . . . . . 73 Gly CA . 25255 5 278 . 1 . 1 73 73 GLY N N 15 113.24 . . . . . . . . 73 Gly N . 25255 5 279 . 1 . 1 74 74 THR H H 1 8.21 . . . . . . . . 74 Thr H . 25255 5 280 . 1 . 1 74 74 THR C C 13 174.43 . . . . . . . . 74 Thr C . 25255 5 281 . 1 . 1 74 74 THR CA C 13 62.08 . . . . . . . . 74 Thr CA . 25255 5 282 . 1 . 1 74 74 THR N N 15 115.2 . . . . . . . . 74 Thr N . 25255 5 283 . 1 . 1 75 75 VAL H H 1 8.39 . . . . . . . . 75 Val H . 25255 5 284 . 1 . 1 75 75 VAL C C 13 175.84 . . . . . . . . 75 Val C . 25255 5 285 . 1 . 1 75 75 VAL CA C 13 62.31 . . . . . . . . 75 Val CA . 25255 5 286 . 1 . 1 75 75 VAL N N 15 124.4 . . . . . . . . 75 Val N . 25255 5 287 . 1 . 1 76 76 LEU H H 1 8.57 . . . . . . . . 76 Leu H . 25255 5 288 . 1 . 1 76 76 LEU C C 13 177.03 . . . . . . . . 76 Leu C . 25255 5 289 . 1 . 1 76 76 LEU CA C 13 54.95 . . . . . . . . 76 Leu CA . 25255 5 290 . 1 . 1 76 76 LEU N N 15 127.76 . . . . . . . . 76 Leu N . 25255 5 291 . 1 . 1 77 77 VAL H H 1 8.37 . . . . . . . . 77 Val H . 25255 5 292 . 1 . 1 77 77 VAL C C 13 176.21 . . . . . . . . 77 Val C . 25255 5 293 . 1 . 1 77 77 VAL CA C 13 62.17 . . . . . . . . 77 Val CA . 25255 5 294 . 1 . 1 77 77 VAL N N 15 123 . . . . . . . . 77 Val N . 25255 5 295 . 1 . 1 78 78 GLY H H 1 8.49 . . . . . . . . 78 Gly H . 25255 5 296 . 1 . 1 78 78 GLY CA C 13 44.42 . . . . . . . . 78 Gly CA . 25255 5 297 . 1 . 1 78 78 GLY N N 15 113.65 . . . . . . . . 78 Gly N . 25255 5 298 . 1 . 1 79 79 PRO C C 13 177.18 . . . . . . . . 79 Pro C . 25255 5 299 . 1 . 1 79 79 PRO CA C 13 62.83 . . . . . . . . 79 Pro CA . 25255 5 300 . 1 . 1 80 80 THR H H 1 8.52 . . . . . . . . 80 Thr H . 25255 5 301 . 1 . 1 80 80 THR CA C 13 60.26 . . . . . . . . 80 Thr CA . 25255 5 302 . 1 . 1 80 80 THR N N 15 118.6 . . . . . . . . 80 Thr N . 25255 5 303 . 1 . 1 81 81 PRO C C 13 176.87 . . . . . . . . 81 Pro C . 25255 5 304 . 1 . 1 81 81 PRO CA C 13 63.18 . . . . . . . . 81 Pro CA . 25255 5 305 . 1 . 1 82 82 VAL H H 1 8.4 . . . . . . . . 82 Val H . 25255 5 306 . 1 . 1 82 82 VAL C C 13 175.92 . . . . . . . . 82 Val C . 25255 5 307 . 1 . 1 82 82 VAL CA C 13 62.38 . . . . . . . . 82 Val CA . 25255 5 308 . 1 . 1 82 82 VAL N N 15 120.83 . . . . . . . . 82 Val N . 25255 5 309 . 1 . 1 83 83 ASN H H 1 8.62 . . . . . . . . 83 Asn H . 25255 5 310 . 1 . 1 83 83 ASN C C 13 174.94 . . . . . . . . 83 Asn C . 25255 5 311 . 1 . 1 83 83 ASN CA C 13 53.06 . . . . . . . . 83 Asn CA . 25255 5 312 . 1 . 1 83 83 ASN N N 15 122.9 . . . . . . . . 83 Asn N . 25255 5 313 . 1 . 1 84 84 ILE H H 1 8.33 . . . . . . . . 84 Ile H . 25255 5 314 . 1 . 1 84 84 ILE C C 13 176.35 . . . . . . . . 84 Ile C . 25255 5 315 . 1 . 1 84 84 ILE CA C 13 61.18 . . . . . . . . 84 Ile CA . 25255 5 316 . 1 . 1 84 84 ILE N N 15 122.41 . . . . . . . . 84 Ile N . 25255 5 317 . 1 . 1 85 85 ILE H H 1 8.36 . . . . . . . . 85 Ile H . 25255 5 318 . 1 . 1 85 85 ILE C C 13 176.97 . . . . . . . . 85 Ile C . 25255 5 319 . 1 . 1 85 85 ILE CA C 13 61.48 . . . . . . . . 85 Ile CA . 25255 5 320 . 1 . 1 85 85 ILE N N 15 125.89 . . . . . . . . 85 Ile N . 25255 5 321 . 1 . 1 86 86 GLY H H 1 8.63 . . . . . . . . 86 Gly H . 25255 5 322 . 1 . 1 86 86 GLY C C 13 174.17 . . . . . . . . 86 Gly C . 25255 5 323 . 1 . 1 86 86 GLY CA C 13 45.32 . . . . . . . . 86 Gly CA . 25255 5 324 . 1 . 1 86 86 GLY N N 15 113.42 . . . . . . . . 86 Gly N . 25255 5 325 . 1 . 1 87 87 ARG H H 1 8.25 . . . . . . . . 87 Arg H . 25255 5 326 . 1 . 1 87 87 ARG C C 13 176.09 . . . . . . . . 87 Arg C . 25255 5 327 . 1 . 1 87 87 ARG CA C 13 56.22 . . . . . . . . 87 Arg CA . 25255 5 328 . 1 . 1 87 87 ARG N N 15 120.74 . . . . . . . . 87 Arg N . 25255 5 329 . 1 . 1 88 88 ASN H H 1 8.66 . . . . . . . . 88 Asn H . 25255 5 330 . 1 . 1 88 88 ASN C C 13 175.31 . . . . . . . . 88 Asn C . 25255 5 331 . 1 . 1 88 88 ASN CA C 13 53.32 . . . . . . . . 88 Asn CA . 25255 5 332 . 1 . 1 88 88 ASN N N 15 119.98 . . . . . . . . 88 Asn N . 25255 5 333 . 1 . 1 89 89 LEU H H 1 8.4 . . . . . . . . 89 Leu H . 25255 5 334 . 1 . 1 89 89 LEU C C 13 177.65 . . . . . . . . 89 Leu C . 25255 5 335 . 1 . 1 89 89 LEU CA C 13 55.51 . . . . . . . . 89 Leu CA . 25255 5 336 . 1 . 1 89 89 LEU N N 15 122.78 . . . . . . . . 89 Leu N . 25255 5 337 . 1 . 1 90 90 LEU H H 1 8.32 . . . . . . . . 90 Leu H . 25255 5 338 . 1 . 1 90 90 LEU C C 13 177.72 . . . . . . . . 90 Leu C . 25255 5 339 . 1 . 1 90 90 LEU CA C 13 55.37 . . . . . . . . 90 Leu CA . 25255 5 340 . 1 . 1 90 90 LEU N N 15 121.79 . . . . . . . . 90 Leu N . 25255 5 341 . 1 . 1 91 91 THR H H 1 8.05 . . . . . . . . 91 Thr H . 25255 5 342 . 1 . 1 91 91 THR C C 13 174.34 . . . . . . . . 91 Thr C . 25255 5 343 . 1 . 1 91 91 THR CA C 13 61.93 . . . . . . . . 91 Thr CA . 25255 5 344 . 1 . 1 91 91 THR N N 15 114.47 . . . . . . . . 91 Thr N . 25255 5 345 . 1 . 1 92 92 GLN H H 1 8.45 . . . . . . . . 92 Gln H . 25255 5 346 . 1 . 1 92 92 GLN C C 13 175.78 . . . . . . . . 92 Gln C . 25255 5 347 . 1 . 1 92 92 GLN CA C 13 55.61 . . . . . . . . 92 Gln CA . 25255 5 348 . 1 . 1 92 92 GLN N N 15 123.23 . . . . . . . . 92 Gln N . 25255 5 349 . 1 . 1 93 93 ILE H H 1 8.42 . . . . . . . . 93 Ile H . 25255 5 350 . 1 . 1 93 93 ILE C C 13 176.89 . . . . . . . . 93 Ile C . 25255 5 351 . 1 . 1 93 93 ILE CA C 13 61.51 . . . . . . . . 93 Ile CA . 25255 5 352 . 1 . 1 93 93 ILE N N 15 123.33 . . . . . . . . 93 Ile N . 25255 5 353 . 1 . 1 94 94 GLY H H 1 8.68 . . . . . . . . 94 Gly H . 25255 5 354 . 1 . 1 94 94 GLY C C 13 172.9 . . . . . . . . 94 Gly C . 25255 5 355 . 1 . 1 94 94 GLY CA C 13 45.19 . . . . . . . . 94 Gly CA . 25255 5 356 . 1 . 1 94 94 GLY N N 15 114.5 . . . . . . . . 94 Gly N . 25255 5 357 . 1 . 1 95 95 ALA H H 1 7.96 . . . . . . . . 95 Ala H . 25255 5 358 . 1 . 1 95 95 ALA CA C 13 53.78 . . . . . . . . 95 Ala CA . 25255 5 359 . 1 . 1 95 95 ALA N N 15 129.51 . . . . . . . . 95 Ala N . 25255 5 stop_ save_