################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26715 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 20ms DARR' . . . 26715 1 2 '2D NCA' . . . 26715 1 3 '3D NCACB' . . . 26715 1 4 '3D CCC' . . . 26715 1 5 '3D CANCO' . . . 26715 1 6 '3D NCOCA' . . . 26715 1 7 '3D NCACX' . . . 26715 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 26715 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 GLY C C 13 171.015 0.101 . 1 . . . . 3 Gly C . 26715 1 2 . 1 1 3 3 GLY CA C 13 45.749 0.072 . 1 . . . . 3 Gly CA . 26715 1 3 . 1 1 3 3 GLY N N 15 113.235 0.000 . 1 . . . . 3 Gly N . 26715 1 4 . 1 1 4 4 PHE HB2 H 1 2.912 0.000 . 1 . . . . 4 Phe HB2 . 26715 1 5 . 1 1 4 4 PHE HB3 H 1 2.912 0.000 . 1 . . . . 4 Phe HB3 . 26715 1 6 . 1 1 4 4 PHE C C 13 174.833 0.058 . 1 . . . . 4 Phe C . 26715 1 7 . 1 1 4 4 PHE CA C 13 56.075 0.077 . 1 . . . . 4 Phe CA . 26715 1 8 . 1 1 4 4 PHE CB C 13 42.256 0.075 . 1 . . . . 4 Phe CB . 26715 1 9 . 1 1 4 4 PHE CG C 13 137.412 0.070 . 1 . . . . 4 Phe CG . 26715 1 10 . 1 1 4 4 PHE CD1 C 13 131.901 0.116 . 1 . . . . 4 Phe CD1 . 26715 1 11 . 1 1 4 4 PHE CD2 C 13 131.901 0.116 . 1 . . . . 4 Phe CD2 . 26715 1 12 . 1 1 4 4 PHE CE1 C 13 130.736 0.117 . 1 . . . . 4 Phe CE1 . 26715 1 13 . 1 1 4 4 PHE CE2 C 13 130.736 0.117 . 1 . . . . 4 Phe CE2 . 26715 1 14 . 1 1 4 4 PHE CZ C 13 127.888 0.097 . 1 . . . . 4 Phe CZ . 26715 1 15 . 1 1 4 4 PHE N N 15 123.573 0.067 . 1 . . . . 4 Phe N . 26715 1 16 . 1 1 5 5 MET C C 13 173.921 0.051 . 1 . . . . 5 Met C . 26715 1 17 . 1 1 5 5 MET CA C 13 53.960 0.082 . 1 . . . . 5 Met CA . 26715 1 18 . 1 1 5 5 MET CB C 13 35.637 0.179 . 1 . . . . 5 Met CB . 26715 1 19 . 1 1 5 5 MET CG C 13 31.595 0.061 . 1 . . . . 5 Met CG . 26715 1 20 . 1 1 5 5 MET N N 15 124.021 0.138 . 1 . . . . 5 Met N . 26715 1 21 . 1 1 6 6 THR HG21 H 1 1.274 0.000 . 1 . . . . 6 Thr HG21 . 26715 1 22 . 1 1 6 6 THR HG22 H 1 1.274 0.000 . 1 . . . . 6 Thr HG22 . 26715 1 23 . 1 1 6 6 THR HG23 H 1 1.274 0.000 . 1 . . . . 6 Thr HG23 . 26715 1 24 . 1 1 6 6 THR C C 13 174.785 0.073 . 1 . . . . 6 Thr C . 26715 1 25 . 1 1 6 6 THR CA C 13 59.173 0.059 . 1 . . . . 6 Thr CA . 26715 1 26 . 1 1 6 6 THR CB C 13 70.651 0.055 . 1 . . . . 6 Thr CB . 26715 1 27 . 1 1 6 6 THR CG2 C 13 21.435 0.052 . 1 . . . . 6 Thr CG2 . 26715 1 28 . 1 1 6 6 THR N N 15 115.763 0.059 . 1 . . . . 6 Thr N . 26715 1 29 . 1 1 7 7 SER HA H 1 4.157 0.000 . 1 . . . . 7 Ser HA . 26715 1 30 . 1 1 7 7 SER C C 13 174.907 0.051 . 1 . . . . 7 Ser C . 26715 1 31 . 1 1 7 7 SER CA C 13 56.863 0.079 . 1 . . . . 7 Ser CA . 26715 1 32 . 1 1 7 7 SER CB C 13 65.023 0.087 . 1 . . . . 7 Ser CB . 26715 1 33 . 1 1 7 7 SER N N 15 115.479 0.088 . 1 . . . . 7 Ser N . 26715 1 34 . 1 1 8 8 GLU HB2 H 1 1.810 0.000 . 1 . . . . 8 Glu HB2 . 26715 1 35 . 1 1 8 8 GLU HB3 H 1 1.810 0.000 . 1 . . . . 8 Glu HB3 . 26715 1 36 . 1 1 8 8 GLU HG2 H 1 2.066 0.000 . 1 . . . . 8 Glu HG2 . 26715 1 37 . 1 1 8 8 GLU HG3 H 1 2.066 0.000 . 1 . . . . 8 Glu HG3 . 26715 1 38 . 1 1 8 8 GLU C C 13 174.678 0.093 . 1 . . . . 8 Glu C . 26715 1 39 . 1 1 8 8 GLU CA C 13 53.896 0.051 . 1 . . . . 8 Glu CA . 26715 1 40 . 1 1 8 8 GLU CB C 13 30.353 0.159 . 1 . . . . 8 Glu CB . 26715 1 41 . 1 1 8 8 GLU CG C 13 32.696 0.076 . 1 . . . . 8 Glu CG . 26715 1 42 . 1 1 8 8 GLU CD C 13 175.338 0.030 . 1 . . . . 8 Glu CD . 26715 1 43 . 1 1 8 8 GLU N N 15 126.592 0.077 . 1 . . . . 8 Glu N . 26715 1 44 . 1 1 9 9 LYS C C 13 172.885 0.057 . 1 . . . . 9 Lys C . 26715 1 45 . 1 1 9 9 LYS CA C 13 54.800 0.098 . 1 . . . . 9 Lys CA . 26715 1 46 . 1 1 9 9 LYS CB C 13 36.431 0.061 . 1 . . . . 9 Lys CB . 26715 1 47 . 1 1 9 9 LYS CG C 13 25.058 0.043 . 1 . . . . 9 Lys CG . 26715 1 48 . 1 1 9 9 LYS CD C 13 29.578 0.046 . 1 . . . . 9 Lys CD . 26715 1 49 . 1 1 9 9 LYS CE C 13 41.749 0.044 . 1 . . . . 9 Lys CE . 26715 1 50 . 1 1 9 9 LYS N N 15 126.193 0.073 . 1 . . . . 9 Lys N . 26715 1 51 . 1 1 10 10 SER C C 13 174.377 0.141 . 1 . . . . 10 Ser C . 26715 1 52 . 1 1 10 10 SER CA C 13 55.246 0.102 . 1 . . . . 10 Ser CA . 26715 1 53 . 1 1 10 10 SER CB C 13 64.971 0.064 . 1 . . . . 10 Ser CB . 26715 1 54 . 1 1 10 10 SER N N 15 118.293 0.076 . 1 . . . . 10 Ser N . 26715 1 55 . 1 1 11 11 GLN HB2 H 1 2.265 0.000 . 1 . . . . 11 Gln HB2 . 26715 1 56 . 1 1 11 11 GLN HB3 H 1 2.265 0.000 . 1 . . . . 11 Gln HB3 . 26715 1 57 . 1 1 11 11 GLN HG2 H 1 2.406 0.000 . 1 . . . . 11 Gln HG2 . 26715 1 58 . 1 1 11 11 GLN HG3 H 1 2.406 0.000 . 1 . . . . 11 Gln HG3 . 26715 1 59 . 1 1 11 11 GLN C C 13 175.214 0.070 . 1 . . . . 11 Gln C . 26715 1 60 . 1 1 11 11 GLN CA C 13 53.789 0.092 . 1 . . . . 11 Gln CA . 26715 1 61 . 1 1 11 11 GLN CB C 13 32.749 0.069 . 1 . . . . 11 Gln CB . 26715 1 62 . 1 1 11 11 GLN CG C 13 33.902 0.070 . 1 . . . . 11 Gln CG . 26715 1 63 . 1 1 11 11 GLN CD C 13 179.363 0.042 . 1 . . . . 11 Gln CD . 26715 1 64 . 1 1 11 11 GLN N N 15 126.702 0.187 . 1 . . . . 11 Gln N . 26715 1 65 . 1 1 12 12 THR HG21 H 1 1.051 0.000 . 1 . . . . 12 Thr HG21 . 26715 1 66 . 1 1 12 12 THR HG22 H 1 1.051 0.000 . 1 . . . . 12 Thr HG22 . 26715 1 67 . 1 1 12 12 THR HG23 H 1 1.051 0.000 . 1 . . . . 12 Thr HG23 . 26715 1 68 . 1 1 12 12 THR C C 13 172.399 0.057 . 1 . . . . 12 Thr C . 26715 1 69 . 1 1 12 12 THR CA C 13 53.147 0.155 . 1 . . . . 12 Thr CA . 26715 1 70 . 1 1 12 12 THR CB C 13 71.325 0.064 . 1 . . . . 12 Thr CB . 26715 1 71 . 1 1 12 12 THR CG2 C 13 19.021 0.059 . 1 . . . . 12 Thr CG2 . 26715 1 72 . 1 1 12 12 THR N N 15 111.992 0.153 . 1 . . . . 12 Thr N . 26715 1 73 . 1 1 13 13 PRO C C 13 173.069 0.111 . 1 . . . . 13 Pro C . 26715 1 74 . 1 1 13 13 PRO CA C 13 61.141 0.091 . 1 . . . . 13 Pro CA . 26715 1 75 . 1 1 13 13 PRO CB C 13 29.640 0.054 . 1 . . . . 13 Pro CB . 26715 1 76 . 1 1 13 13 PRO CG C 13 27.172 0.074 . 1 . . . . 13 Pro CG . 26715 1 77 . 1 1 13 13 PRO CD C 13 47.959 0.047 . 1 . . . . 13 Pro CD . 26715 1 78 . 1 1 13 13 PRO N N 15 140.660 0.055 . 1 . . . . 13 Pro N . 26715 1 79 . 1 1 14 14 LEU HD11 H 1 0.859 0.000 . 2 . . . . 14 Leu HD11 . 26715 1 80 . 1 1 14 14 LEU HD12 H 1 0.859 0.000 . 2 . . . . 14 Leu HD12 . 26715 1 81 . 1 1 14 14 LEU HD13 H 1 0.859 0.000 . 2 . . . . 14 Leu HD13 . 26715 1 82 . 1 1 14 14 LEU HD21 H 1 0.905 0.000 . 2 . . . . 14 Leu HD21 . 26715 1 83 . 1 1 14 14 LEU HD22 H 1 0.905 0.000 . 2 . . . . 14 Leu HD22 . 26715 1 84 . 1 1 14 14 LEU HD23 H 1 0.905 0.000 . 2 . . . . 14 Leu HD23 . 26715 1 85 . 1 1 14 14 LEU C C 13 174.598 0.065 . 1 . . . . 14 Leu C . 26715 1 86 . 1 1 14 14 LEU CA C 13 53.957 0.046 . 1 . . . . 14 Leu CA . 26715 1 87 . 1 1 14 14 LEU CB C 13 41.210 0.114 . 1 . . . . 14 Leu CB . 26715 1 88 . 1 1 14 14 LEU CG C 13 29.167 0.146 . 1 . . . . 14 Leu CG . 26715 1 89 . 1 1 14 14 LEU CD1 C 13 26.737 0.074 . 2 . . . . 14 Leu CD1 . 26715 1 90 . 1 1 14 14 LEU CD2 C 13 23.586 0.053 . 2 . . . . 14 Leu CD2 . 26715 1 91 . 1 1 14 14 LEU N N 15 132.713 0.048 . 1 . . . . 14 Leu N . 26715 1 92 . 1 1 15 15 VAL HG11 H 1 0.932 0.000 . 1 . . . . 15 Val HG11 . 26715 1 93 . 1 1 15 15 VAL HG12 H 1 0.932 0.000 . 1 . . . . 15 Val HG12 . 26715 1 94 . 1 1 15 15 VAL HG13 H 1 0.932 0.000 . 1 . . . . 15 Val HG13 . 26715 1 95 . 1 1 15 15 VAL HG21 H 1 0.932 0.000 . 1 . . . . 15 Val HG21 . 26715 1 96 . 1 1 15 15 VAL HG22 H 1 0.932 0.000 . 1 . . . . 15 Val HG22 . 26715 1 97 . 1 1 15 15 VAL HG23 H 1 0.932 0.000 . 1 . . . . 15 Val HG23 . 26715 1 98 . 1 1 15 15 VAL C C 13 177.190 0.071 . 1 . . . . 15 Val C . 26715 1 99 . 1 1 15 15 VAL CA C 13 60.213 0.106 . 1 . . . . 15 Val CA . 26715 1 100 . 1 1 15 15 VAL CB C 13 35.176 0.055 . 1 . . . . 15 Val CB . 26715 1 101 . 1 1 15 15 VAL CG1 C 13 20.280 0.058 . 2 . . . . 15 Val CG1 . 26715 1 102 . 1 1 15 15 VAL CG2 C 13 20.261 0.081 . 2 . . . . 15 Val CG2 . 26715 1 103 . 1 1 15 15 VAL N N 15 120.791 0.110 . 1 . . . . 15 Val N . 26715 1 104 . 1 1 16 16 THR HG21 H 1 1.255 0.000 . 1 . . . . 16 Thr HG21 . 26715 1 105 . 1 1 16 16 THR HG22 H 1 1.255 0.000 . 1 . . . . 16 Thr HG22 . 26715 1 106 . 1 1 16 16 THR HG23 H 1 1.255 0.000 . 1 . . . . 16 Thr HG23 . 26715 1 107 . 1 1 16 16 THR C C 13 171.195 0.049 . 1 . . . . 16 Thr C . 26715 1 108 . 1 1 16 16 THR CA C 13 62.673 0.060 . 1 . . . . 16 Thr CA . 26715 1 109 . 1 1 16 16 THR CB C 13 69.927 0.079 . 1 . . . . 16 Thr CB . 26715 1 110 . 1 1 16 16 THR CG2 C 13 20.415 0.047 . 1 . . . . 16 Thr CG2 . 26715 1 111 . 1 1 16 16 THR N N 15 131.300 0.069 . 1 . . . . 16 Thr N . 26715 1 112 . 1 1 17 17 LEU HD11 H 1 1.006 0.000 . 1 . . . . 17 Leu HD11 . 26715 1 113 . 1 1 17 17 LEU HD12 H 1 1.006 0.000 . 1 . . . . 17 Leu HD12 . 26715 1 114 . 1 1 17 17 LEU HD13 H 1 1.006 0.000 . 1 . . . . 17 Leu HD13 . 26715 1 115 . 1 1 17 17 LEU C C 13 173.022 0.063 . 1 . . . . 17 Leu C . 26715 1 116 . 1 1 17 17 LEU CA C 13 53.411 0.154 . 1 . . . . 17 Leu CA . 26715 1 117 . 1 1 17 17 LEU CB C 13 45.789 0.073 . 1 . . . . 17 Leu CB . 26715 1 118 . 1 1 17 17 LEU CG C 13 27.214 0.071 . 1 . . . . 17 Leu CG . 26715 1 119 . 1 1 17 17 LEU CD1 C 13 25.668 0.065 . 2 . . . . 17 Leu CD1 . 26715 1 120 . 1 1 17 17 LEU CD2 C 13 24.927 0.036 . 2 . . . . 17 Leu CD2 . 26715 1 121 . 1 1 17 17 LEU N N 15 127.817 0.085 . 1 . . . . 17 Leu N . 26715 1 122 . 1 1 18 18 PHE C C 13 173.448 0.082 . 1 . . . . 18 Phe C . 26715 1 123 . 1 1 18 18 PHE CA C 13 56.154 0.091 . 1 . . . . 18 Phe CA . 26715 1 124 . 1 1 18 18 PHE CB C 13 41.221 0.087 . 1 . . . . 18 Phe CB . 26715 1 125 . 1 1 18 18 PHE CG C 13 137.486 0.090 . 1 . . . . 18 Phe CG . 26715 1 126 . 1 1 18 18 PHE CD1 C 13 130.888 0.262 . 1 . . . . 18 Phe CD1 . 26715 1 127 . 1 1 18 18 PHE CD2 C 13 130.888 0.262 . 1 . . . . 18 Phe CD2 . 26715 1 128 . 1 1 18 18 PHE CE1 C 13 130.800 0.083 . 1 . . . . 18 Phe CE1 . 26715 1 129 . 1 1 18 18 PHE CE2 C 13 130.800 0.083 . 1 . . . . 18 Phe CE2 . 26715 1 130 . 1 1 18 18 PHE CZ C 13 127.745 0.168 . 1 . . . . 18 Phe CZ . 26715 1 131 . 1 1 18 18 PHE N N 15 123.000 0.087 . 1 . . . . 18 Phe N . 26715 1 132 . 1 1 19 19 LYS HE2 H 1 2.937 0.000 . 1 . . . . 19 Lys HE2 . 26715 1 133 . 1 1 19 19 LYS C C 13 174.819 0.032 . 1 . . . . 19 Lys C . 26715 1 134 . 1 1 19 19 LYS CA C 13 53.879 0.061 . 1 . . . . 19 Lys CA . 26715 1 135 . 1 1 19 19 LYS CB C 13 36.337 0.214 . 1 . . . . 19 Lys CB . 26715 1 136 . 1 1 19 19 LYS CG C 13 24.834 0.065 . 1 . . . . 19 Lys CG . 26715 1 137 . 1 1 19 19 LYS CD C 13 29.518 0.088 . 1 . . . . 19 Lys CD . 26715 1 138 . 1 1 19 19 LYS CE C 13 41.868 0.020 . 1 . . . . 19 Lys CE . 26715 1 139 . 1 1 19 19 LYS N N 15 123.666 0.125 . 1 . . . . 19 Lys N . 26715 1 140 . 1 1 20 20 ASN C C 13 172.082 0.061 . 1 . . . . 20 Asn C . 26715 1 141 . 1 1 20 20 ASN CA C 13 54.059 0.107 . 1 . . . . 20 Asn CA . 26715 1 142 . 1 1 20 20 ASN CB C 13 35.918 0.103 . 1 . . . . 20 Asn CB . 26715 1 143 . 1 1 20 20 ASN CG C 13 178.187 0.070 . 1 . . . . 20 Asn CG . 26715 1 144 . 1 1 20 20 ASN N N 15 122.684 0.073 . 1 . . . . 20 Asn N . 26715 1 145 . 1 1 20 20 ASN ND2 N 15 112.302 0.113 . 1 . . . . 20 Asn ND2 . 26715 1 146 . 1 1 21 21 ALA HB1 H 1 1.543 0.000 . 1 . . . . 21 Ala HB1 . 26715 1 147 . 1 1 21 21 ALA HB2 H 1 1.543 0.000 . 1 . . . . 21 Ala HB2 . 26715 1 148 . 1 1 21 21 ALA HB3 H 1 1.543 0.000 . 1 . . . . 21 Ala HB3 . 26715 1 149 . 1 1 21 21 ALA C C 13 174.886 0.155 . 1 . . . . 21 Ala C . 26715 1 150 . 1 1 21 21 ALA CA C 13 49.593 0.074 . 1 . . . . 21 Ala CA . 26715 1 151 . 1 1 21 21 ALA CB C 13 21.434 0.050 . 1 . . . . 21 Ala CB . 26715 1 152 . 1 1 21 21 ALA N N 15 124.184 0.022 . 1 . . . . 21 Ala N . 26715 1 153 . 1 1 22 22 ILE HG21 H 1 0.992 0.000 . 1 . . . . 22 Ile HG21 . 26715 1 154 . 1 1 22 22 ILE HG22 H 1 0.992 0.000 . 1 . . . . 22 Ile HG22 . 26715 1 155 . 1 1 22 22 ILE HG23 H 1 0.992 0.000 . 1 . . . . 22 Ile HG23 . 26715 1 156 . 1 1 22 22 ILE HD11 H 1 0.983 0.000 . 1 . . . . 22 Ile HD11 . 26715 1 157 . 1 1 22 22 ILE HD12 H 1 0.983 0.000 . 1 . . . . 22 Ile HD12 . 26715 1 158 . 1 1 22 22 ILE HD13 H 1 0.983 0.000 . 1 . . . . 22 Ile HD13 . 26715 1 159 . 1 1 22 22 ILE C C 13 173.379 0.139 . 1 . . . . 22 Ile C . 26715 1 160 . 1 1 22 22 ILE CA C 13 59.425 0.066 . 1 . . . . 22 Ile CA . 26715 1 161 . 1 1 22 22 ILE CB C 13 42.454 0.065 . 1 . . . . 22 Ile CB . 26715 1 162 . 1 1 22 22 ILE CG1 C 13 27.447 0.062 . 1 . . . . 22 Ile CG1 . 26715 1 163 . 1 1 22 22 ILE CG2 C 13 17.029 0.042 . 1 . . . . 22 Ile CG2 . 26715 1 164 . 1 1 22 22 ILE CD1 C 13 13.646 0.122 . 1 . . . . 22 Ile CD1 . 26715 1 165 . 1 1 22 22 ILE N N 15 122.471 0.073 . 1 . . . . 22 Ile N . 26715 1 166 . 1 1 23 23 ILE HB H 1 2.030 0.000 . 1 . . . . 23 Ile HB . 26715 1 167 . 1 1 23 23 ILE HG21 H 1 1.006 0.000 . 1 . . . . 23 Ile HG21 . 26715 1 168 . 1 1 23 23 ILE HG22 H 1 1.006 0.000 . 1 . . . . 23 Ile HG22 . 26715 1 169 . 1 1 23 23 ILE HG23 H 1 1.006 0.000 . 1 . . . . 23 Ile HG23 . 26715 1 170 . 1 1 23 23 ILE HD11 H 1 0.900 0.000 . 1 . . . . 23 Ile HD11 . 26715 1 171 . 1 1 23 23 ILE HD12 H 1 0.900 0.000 . 1 . . . . 23 Ile HD12 . 26715 1 172 . 1 1 23 23 ILE HD13 H 1 0.900 0.000 . 1 . . . . 23 Ile HD13 . 26715 1 173 . 1 1 23 23 ILE C C 13 173.976 0.094 . 1 . . . . 23 Ile C . 26715 1 174 . 1 1 23 23 ILE CA C 13 60.670 0.070 . 1 . . . . 23 Ile CA . 26715 1 175 . 1 1 23 23 ILE CB C 13 40.643 0.068 . 1 . . . . 23 Ile CB . 26715 1 176 . 1 1 23 23 ILE CG1 C 13 27.914 0.088 . 1 . . . . 23 Ile CG1 . 26715 1 177 . 1 1 23 23 ILE CG2 C 13 17.953 0.053 . 1 . . . . 23 Ile CG2 . 26715 1 178 . 1 1 23 23 ILE CD1 C 13 14.170 0.062 . 1 . . . . 23 Ile CD1 . 26715 1 179 . 1 1 23 23 ILE N N 15 126.848 0.098 . 1 . . . . 23 Ile N . 26715 1 180 . 1 1 24 24 LYS C C 13 175.307 0.048 . 1 . . . . 24 Lys C . 26715 1 181 . 1 1 24 24 LYS CA C 13 52.766 0.086 . 1 . . . . 24 Lys CA . 26715 1 182 . 1 1 24 24 LYS CB C 13 36.596 0.099 . 1 . . . . 24 Lys CB . 26715 1 183 . 1 1 24 24 LYS CG C 13 24.740 0.115 . 1 . . . . 24 Lys CG . 26715 1 184 . 1 1 24 24 LYS CD C 13 29.978 0.141 . 1 . . . . 24 Lys CD . 26715 1 185 . 1 1 24 24 LYS CE C 13 41.638 0.125 . 1 . . . . 24 Lys CE . 26715 1 186 . 1 1 24 24 LYS N N 15 124.451 0.109 . 1 . . . . 24 Lys N . 26715 1 187 . 1 1 24 24 LYS NZ N 15 33.216 0.000 . 1 . . . . 24 Lys NZ . 26715 1 188 . 1 1 25 25 ASN C C 13 174.402 0.137 . 1 . . . . 25 Asn C . 26715 1 189 . 1 1 25 25 ASN CA C 13 51.825 0.075 . 1 . . . . 25 Asn CA . 26715 1 190 . 1 1 25 25 ASN CB C 13 34.680 0.099 . 1 . . . . 25 Asn CB . 26715 1 191 . 1 1 25 25 ASN CG C 13 179.353 0.082 . 1 . . . . 25 Asn CG . 26715 1 192 . 1 1 25 25 ASN N N 15 123.306 0.121 . 1 . . . . 25 Asn N . 26715 1 193 . 1 1 25 25 ASN ND2 N 15 111.692 0.087 . 1 . . . . 25 Asn ND2 . 26715 1 194 . 1 1 26 26 ALA C C 13 174.602 0.073 . 1 . . . . 26 Ala C . 26715 1 195 . 1 1 26 26 ALA CA C 13 49.749 0.094 . 1 . . . . 26 Ala CA . 26715 1 196 . 1 1 26 26 ALA CB C 13 24.697 0.061 . 1 . . . . 26 Ala CB . 26715 1 197 . 1 1 26 26 ALA N N 15 116.537 0.046 . 1 . . . . 26 Ala N . 26715 1 198 . 1 1 27 27 TYR C C 13 174.615 0.034 . 1 . . . . 27 Tyr C . 26715 1 199 . 1 1 27 27 TYR CA C 13 58.139 0.106 . 1 . . . . 27 Tyr CA . 26715 1 200 . 1 1 27 27 TYR CB C 13 34.578 0.130 . 1 . . . . 27 Tyr CB . 26715 1 201 . 1 1 27 27 TYR CG C 13 129.229 0.062 . 1 . . . . 27 Tyr CG . 26715 1 202 . 1 1 27 27 TYR CD1 C 13 134.564 0.128 . 1 . . . . 27 Tyr CD1 . 26715 1 203 . 1 1 27 27 TYR CD2 C 13 134.564 0.128 . 1 . . . . 27 Tyr CD2 . 26715 1 204 . 1 1 27 27 TYR CE1 C 13 117.784 0.511 . 1 . . . . 27 Tyr CE1 . 26715 1 205 . 1 1 27 27 TYR CE2 C 13 117.784 0.511 . 1 . . . . 27 Tyr CE2 . 26715 1 206 . 1 1 27 27 TYR CZ C 13 156.258 0.268 . 1 . . . . 27 Tyr CZ . 26715 1 207 . 1 1 27 27 TYR N N 15 116.710 0.156 . 1 . . . . 27 Tyr N . 26715 1 208 . 1 1 28 28 LYS C C 13 174.942 0.054 . 1 . . . . 28 Lys C . 26715 1 209 . 1 1 28 28 LYS CA C 13 53.963 0.067 . 1 . . . . 28 Lys CA . 26715 1 210 . 1 1 28 28 LYS CB C 13 37.413 0.093 . 1 . . . . 28 Lys CB . 26715 1 211 . 1 1 28 28 LYS CG C 13 25.398 0.106 . 1 . . . . 28 Lys CG . 26715 1 212 . 1 1 28 28 LYS CD C 13 29.537 0.045 . 1 . . . . 28 Lys CD . 26715 1 213 . 1 1 28 28 LYS CE C 13 42.195 0.105 . 1 . . . . 28 Lys CE . 26715 1 214 . 1 1 28 28 LYS N N 15 116.341 0.110 . 1 . . . . 28 Lys N . 26715 1 215 . 1 1 28 28 LYS NZ N 15 33.570 0.045 . 1 . . . . 28 Lys NZ . 26715 1 216 . 1 1 29 29 LYS C C 13 175.822 0.190 . 1 . . . . 29 Lys C . 26715 1 217 . 1 1 29 29 LYS CA C 13 54.513 0.080 . 1 . . . . 29 Lys CA . 26715 1 218 . 1 1 29 29 LYS CB C 13 35.315 0.031 . 1 . . . . 29 Lys CB . 26715 1 219 . 1 1 29 29 LYS CG C 13 24.862 0.068 . 1 . . . . 29 Lys CG . 26715 1 220 . 1 1 29 29 LYS CD C 13 31.718 0.003 . 1 . . . . 29 Lys CD . 26715 1 221 . 1 1 29 29 LYS CE C 13 41.753 0.009 . 1 . . . . 29 Lys CE . 26715 1 222 . 1 1 29 29 LYS N N 15 121.110 0.147 . 1 . . . . 29 Lys N . 26715 1 223 . 1 1 30 30 GLY C C 13 172.437 0.000 . 1 . . . . 30 Gly C . 26715 1 224 . 1 1 30 30 GLY CA C 13 44.997 0.037 . 1 . . . . 30 Gly CA . 26715 1 225 . 1 1 30 30 GLY N N 15 112.146 0.013 . 1 . . . . 30 Gly N . 26715 1 226 . 1 1 31 31 GLU C C 13 179.590 0.004 . 1 . . . . 31 Glu C . 26715 1 227 . 1 1 31 31 GLU CA C 13 56.122 0.145 . 1 . . . . 31 Glu CA . 26715 1 228 . 1 1 31 31 GLU CB C 13 29.801 0.088 . 1 . . . . 31 Glu CB . 26715 1 229 . 1 1 31 31 GLU CG C 13 33.370 0.007 . 1 . . . . 31 Glu CG . 26715 1 230 . 1 1 31 31 GLU CD C 13 180.630 0.003 . 1 . . . . 31 Glu CD . 26715 1 stop_ save_