################################### # 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 18648 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18648 1 2 '2D 1H-13C HSQC' . . . 18648 1 3 '3D C(CO)NH' . . . 18648 1 4 '3D HNCO' . . . 18648 1 5 '3D HNCACB' . . . 18648 1 6 '3D HBHA(CO)NH' . . . 18648 1 7 '3D H(CCO)NH' . . . 18648 1 8 '3D HCCH-TOCSY' . . . 18648 1 9 '3D 1H-15N TOCSY' . . . 18648 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 2 2 ALA HA H 1 4.325 0.007 . . . . . . 2 ALA HA . 18648 1 2 . 1 1 2 2 ALA HB1 H 1 1.413 0.007 . . . . . . 2 ALA QB . 18648 1 3 . 1 1 2 2 ALA HB2 H 1 1.413 0.007 . . . . . . 2 ALA QB . 18648 1 4 . 1 1 2 2 ALA HB3 H 1 1.413 0.007 . . . . . . 2 ALA QB . 18648 1 5 . 1 1 2 2 ALA C C 13 177.858 0.000 . . . . . . 2 ALA C . 18648 1 6 . 1 1 2 2 ALA CA C 13 52.854 0.099 . . . . . . 2 ALA CA . 18648 1 7 . 1 1 2 2 ALA CB C 13 19.558 0.147 . . . . . . 2 ALA CB . 18648 1 8 . 1 1 3 3 MET H H 1 8.573 0.005 . . . . . . 3 MET H . 18648 1 9 . 1 1 3 3 MET HA H 1 4.350 0.004 . . . . . . 3 MET HA . 18648 1 10 . 1 1 3 3 MET HB2 H 1 2.044 0.008 . . . . . . 3 MET QB . 18648 1 11 . 1 1 3 3 MET HB3 H 1 2.044 0.008 . . . . . . 3 MET QB . 18648 1 12 . 1 1 3 3 MET HG2 H 1 2.621 0.011 . . . . . . 3 MET HG2 . 18648 1 13 . 1 1 3 3 MET HG3 H 1 2.562 0.005 . . . . . . 3 MET HG3 . 18648 1 14 . 1 1 3 3 MET HE1 H 1 2.063 0.005 . . . . . . 3 MET QE . 18648 1 15 . 1 1 3 3 MET HE2 H 1 2.063 0.005 . . . . . . 3 MET QE . 18648 1 16 . 1 1 3 3 MET HE3 H 1 2.063 0.005 . . . . . . 3 MET QE . 18648 1 17 . 1 1 3 3 MET C C 13 175.731 0.000 . . . . . . 3 MET C . 18648 1 18 . 1 1 3 3 MET CA C 13 56.160 0.034 . . . . . . 3 MET CA . 18648 1 19 . 1 1 3 3 MET CB C 13 33.410 0.052 . . . . . . 3 MET CB . 18648 1 20 . 1 1 3 3 MET CG C 13 32.684 0.064 . . . . . . 3 MET CG . 18648 1 21 . 1 1 3 3 MET CE C 13 17.193 0.030 . . . . . . 3 MET CE . 18648 1 22 . 1 1 3 3 MET N N 15 121.518 0.074 . . . . . . 3 MET N . 18648 1 23 . 1 1 4 4 ALA H H 1 8.369 0.003 . . . . . . 4 ALA H . 18648 1 24 . 1 1 4 4 ALA HA H 1 4.300 0.004 . . . . . . 4 ALA HA . 18648 1 25 . 1 1 4 4 ALA HB1 H 1 1.507 0.012 . . . . . . 4 ALA QB . 18648 1 26 . 1 1 4 4 ALA HB2 H 1 1.507 0.012 . . . . . . 4 ALA QB . 18648 1 27 . 1 1 4 4 ALA HB3 H 1 1.507 0.012 . . . . . . 4 ALA QB . 18648 1 28 . 1 1 4 4 ALA C C 13 178.080 0.000 . . . . . . 4 ALA C . 18648 1 29 . 1 1 4 4 ALA CA C 13 52.509 0.049 . . . . . . 4 ALA CA . 18648 1 30 . 1 1 4 4 ALA CB C 13 19.277 0.073 . . . . . . 4 ALA CB . 18648 1 31 . 1 1 4 4 ALA N N 15 127.177 0.071 . . . . . . 4 ALA N . 18648 1 32 . 1 1 5 5 LYS H H 1 8.428 0.002 . . . . . . 5 LYS H . 18648 1 33 . 1 1 5 5 LYS HA H 1 4.036 0.008 . . . . . . 5 LYS HA . 18648 1 34 . 1 1 5 5 LYS HB2 H 1 1.931 0.003 . . . . . . 5 LYS HB2 . 18648 1 35 . 1 1 5 5 LYS HB3 H 1 1.863 0.005 . . . . . . 5 LYS HB3 . 18648 1 36 . 1 1 5 5 LYS HG2 H 1 1.530 0.006 . . . . . . 5 LYS HG2 . 18648 1 37 . 1 1 5 5 LYS HG3 H 1 1.432 0.008 . . . . . . 5 LYS HG3 . 18648 1 38 . 1 1 5 5 LYS HD2 H 1 1.749 0.005 . . . . . . 5 LYS QD . 18648 1 39 . 1 1 5 5 LYS HD3 H 1 1.749 0.005 . . . . . . 5 LYS QD . 18648 1 40 . 1 1 5 5 LYS HE2 H 1 2.945 0.012 . . . . . . 5 LYS QE . 18648 1 41 . 1 1 5 5 LYS HE3 H 1 2.945 0.012 . . . . . . 5 LYS QE . 18648 1 42 . 1 1 5 5 LYS C C 13 177.960 0.000 . . . . . . 5 LYS C . 18648 1 43 . 1 1 5 5 LYS CA C 13 59.005 0.026 . . . . . . 5 LYS CA . 18648 1 44 . 1 1 5 5 LYS CB C 13 32.549 0.044 . . . . . . 5 LYS CB . 18648 1 45 . 1 1 5 5 LYS CG C 13 25.336 0.086 . . . . . . 5 LYS CG . 18648 1 46 . 1 1 5 5 LYS CD C 13 29.330 0.042 . . . . . . 5 LYS CD . 18648 1 47 . 1 1 5 5 LYS CE C 13 42.097 0.007 . . . . . . 5 LYS CE . 18648 1 48 . 1 1 5 5 LYS N N 15 122.917 0.078 . . . . . . 5 LYS N . 18648 1 49 . 1 1 6 6 GLY H H 1 8.819 0.005 . . . . . . 6 GLY H . 18648 1 50 . 1 1 6 6 GLY HA2 H 1 3.867 0.006 . . . . . . 6 GLY HA2 . 18648 1 51 . 1 1 6 6 GLY HA3 H 1 3.734 0.005 . . . . . . 6 GLY HA3 . 18648 1 52 . 1 1 6 6 GLY C C 13 174.900 0.000 . . . . . . 6 GLY C . 18648 1 53 . 1 1 6 6 GLY CA C 13 47.148 0.085 . . . . . . 6 GLY CA . 18648 1 54 . 1 1 6 6 GLY N N 15 108.660 0.102 . . . . . . 6 GLY N . 18648 1 55 . 1 1 7 7 ALA H H 1 7.733 0.006 . . . . . . 7 ALA H . 18648 1 56 . 1 1 7 7 ALA HA H 1 4.119 0.003 . . . . . . 7 ALA HA . 18648 1 57 . 1 1 7 7 ALA HB1 H 1 1.508 0.018 . . . . . . 7 ALA QB . 18648 1 58 . 1 1 7 7 ALA HB2 H 1 1.508 0.018 . . . . . . 7 ALA QB . 18648 1 59 . 1 1 7 7 ALA HB3 H 1 1.508 0.018 . . . . . . 7 ALA QB . 18648 1 60 . 1 1 7 7 ALA C C 13 178.481 0.000 . . . . . . 7 ALA C . 18648 1 61 . 1 1 7 7 ALA CA C 13 54.836 0.104 . . . . . . 7 ALA CA . 18648 1 62 . 1 1 7 7 ALA CB C 13 18.675 0.168 . . . . . . 7 ALA CB . 18648 1 63 . 1 1 7 7 ALA N N 15 124.676 0.083 . . . . . . 7 ALA N . 18648 1 64 . 1 1 8 8 ILE H H 1 7.777 0.003 . . . . . . 8 ILE H . 18648 1 65 . 1 1 8 8 ILE HA H 1 3.750 0.006 . . . . . . 8 ILE HA . 18648 1 66 . 1 1 8 8 ILE HB H 1 2.051 0.007 . . . . . . 8 ILE HB . 18648 1 67 . 1 1 8 8 ILE HG12 H 1 1.730 0.007 . . . . . . 8 ILE HG12 . 18648 1 68 . 1 1 8 8 ILE HG13 H 1 1.197 0.012 . . . . . . 8 ILE HG13 . 18648 1 69 . 1 1 8 8 ILE HG21 H 1 0.962 0.007 . . . . . . 8 ILE QG2 . 18648 1 70 . 1 1 8 8 ILE HG22 H 1 0.962 0.007 . . . . . . 8 ILE QG2 . 18648 1 71 . 1 1 8 8 ILE HG23 H 1 0.962 0.007 . . . . . . 8 ILE QG2 . 18648 1 72 . 1 1 8 8 ILE HD11 H 1 0.890 0.005 . . . . . . 8 ILE QD1 . 18648 1 73 . 1 1 8 8 ILE HD12 H 1 0.890 0.005 . . . . . . 8 ILE QD1 . 18648 1 74 . 1 1 8 8 ILE HD13 H 1 0.890 0.005 . . . . . . 8 ILE QD1 . 18648 1 75 . 1 1 8 8 ILE C C 13 177.416 0.000 . . . . . . 8 ILE C . 18648 1 76 . 1 1 8 8 ILE CA C 13 64.672 0.132 . . . . . . 8 ILE CA . 18648 1 77 . 1 1 8 8 ILE CB C 13 37.643 0.031 . . . . . . 8 ILE CB . 18648 1 78 . 1 1 8 8 ILE CG1 C 13 29.269 0.072 . . . . . . 8 ILE CG1 . 18648 1 79 . 1 1 8 8 ILE CG2 C 13 17.849 0.051 . . . . . . 8 ILE CG2 . 18648 1 80 . 1 1 8 8 ILE CD1 C 13 13.086 0.063 . . . . . . 8 ILE CD1 . 18648 1 81 . 1 1 8 8 ILE N N 15 119.322 0.054 . . . . . . 8 ILE N . 18648 1 82 . 1 1 9 9 ILE H H 1 8.096 0.005 . . . . . . 9 ILE H . 18648 1 83 . 1 1 9 9 ILE HA H 1 3.722 0.007 . . . . . . 9 ILE HA . 18648 1 84 . 1 1 9 9 ILE HB H 1 1.979 0.007 . . . . . . 9 ILE HB . 18648 1 85 . 1 1 9 9 ILE HG12 H 1 1.812 0.013 . . . . . . 9 ILE HG12 . 18648 1 86 . 1 1 9 9 ILE HG13 H 1 1.149 0.006 . . . . . . 9 ILE HG13 . 18648 1 87 . 1 1 9 9 ILE HG21 H 1 0.917 0.015 . . . . . . 9 ILE QG2 . 18648 1 88 . 1 1 9 9 ILE HG22 H 1 0.917 0.015 . . . . . . 9 ILE QG2 . 18648 1 89 . 1 1 9 9 ILE HG23 H 1 0.917 0.015 . . . . . . 9 ILE QG2 . 18648 1 90 . 1 1 9 9 ILE HD11 H 1 0.869 0.005 . . . . . . 9 ILE QD1 . 18648 1 91 . 1 1 9 9 ILE HD12 H 1 0.869 0.005 . . . . . . 9 ILE QD1 . 18648 1 92 . 1 1 9 9 ILE HD13 H 1 0.869 0.005 . . . . . . 9 ILE QD1 . 18648 1 93 . 1 1 9 9 ILE C C 13 177.743 0.000 . . . . . . 9 ILE C . 18648 1 94 . 1 1 9 9 ILE CA C 13 65.050 0.078 . . . . . . 9 ILE CA . 18648 1 95 . 1 1 9 9 ILE CB C 13 37.338 0.041 . . . . . . 9 ILE CB . 18648 1 96 . 1 1 9 9 ILE CG1 C 13 29.308 0.104 . . . . . . 9 ILE CG1 . 18648 1 97 . 1 1 9 9 ILE CG2 C 13 17.682 0.031 . . . . . . 9 ILE CG2 . 18648 1 98 . 1 1 9 9 ILE CD1 C 13 13.244 0.052 . . . . . . 9 ILE CD1 . 18648 1 99 . 1 1 9 9 ILE N N 15 121.496 0.108 . . . . . . 9 ILE N . 18648 1 100 . 1 1 10 10 GLY H H 1 8.364 0.012 . . . . . . 10 GLY H . 18648 1 101 . 1 1 10 10 GLY HA2 H 1 3.639 0.010 . . . . . . 10 GLY QA . 18648 1 102 . 1 1 10 10 GLY HA3 H 1 3.639 0.010 . . . . . . 10 GLY QA . 18648 1 103 . 1 1 10 10 GLY C C 13 174.610 0.000 . . . . . . 10 GLY C . 18648 1 104 . 1 1 10 10 GLY CA C 13 47.841 0.035 . . . . . . 10 GLY CA . 18648 1 105 . 1 1 10 10 GLY N N 15 109.020 0.088 . . . . . . 10 GLY N . 18648 1 106 . 1 1 11 11 LEU H H 1 8.232 0.006 . . . . . . 11 LEU H . 18648 1 107 . 1 1 11 11 LEU HA H 1 4.029 0.007 . . . . . . 11 LEU HA . 18648 1 108 . 1 1 11 11 LEU HB2 H 1 1.955 0.008 . . . . . . 11 LEU HB2 . 18648 1 109 . 1 1 11 11 LEU HB3 H 1 1.568 0.007 . . . . . . 11 LEU HB3 . 18648 1 110 . 1 1 11 11 LEU HG H 1 1.867 0.004 . . . . . . 11 LEU HG . 18648 1 111 . 1 1 11 11 LEU HD11 H 1 0.910 0.021 . . . . . . 11 LEU QD1 . 18648 1 112 . 1 1 11 11 LEU HD12 H 1 0.910 0.021 . . . . . . 11 LEU QD1 . 18648 1 113 . 1 1 11 11 LEU HD13 H 1 0.910 0.021 . . . . . . 11 LEU QD1 . 18648 1 114 . 1 1 11 11 LEU HD21 H 1 0.880 0.005 . . . . . . 11 LEU QD2 . 18648 1 115 . 1 1 11 11 LEU HD22 H 1 0.880 0.005 . . . . . . 11 LEU QD2 . 18648 1 116 . 1 1 11 11 LEU HD23 H 1 0.880 0.005 . . . . . . 11 LEU QD2 . 18648 1 117 . 1 1 11 11 LEU C C 13 178.342 0.000 . . . . . . 11 LEU C . 18648 1 118 . 1 1 11 11 LEU CA C 13 58.212 0.052 . . . . . . 11 LEU CA . 18648 1 119 . 1 1 11 11 LEU CB C 13 42.143 0.062 . . . . . . 11 LEU CB . 18648 1 120 . 1 1 11 11 LEU CG C 13 27.027 0.057 . . . . . . 11 LEU CG . 18648 1 121 . 1 1 11 11 LEU CD1 C 13 25.163 0.118 . . . . . . 11 LEU CD1 . 18648 1 122 . 1 1 11 11 LEU CD2 C 13 24.307 0.023 . . . . . . 11 LEU CD2 . 18648 1 123 . 1 1 11 11 LEU N N 15 123.493 0.068 . . . . . . 11 LEU N . 18648 1 124 . 1 1 12 12 MET H H 1 8.154 0.004 . . . . . . 12 MET H . 18648 1 125 . 1 1 12 12 MET HA H 1 4.047 0.007 . . . . . . 12 MET HA . 18648 1 126 . 1 1 12 12 MET HB2 H 1 2.347 0.007 . . . . . . 12 MET HB2 . 18648 1 127 . 1 1 12 12 MET HB3 H 1 2.045 0.010 . . . . . . 12 MET HB3 . 18648 1 128 . 1 1 12 12 MET HG2 H 1 2.782 0.005 . . . . . . 12 MET HG2 . 18648 1 129 . 1 1 12 12 MET HG3 H 1 2.396 0.012 . . . . . . 12 MET HG3 . 18648 1 130 . 1 1 12 12 MET HE1 H 1 1.944 0.006 . . . . . . 12 MET QE . 18648 1 131 . 1 1 12 12 MET HE2 H 1 1.944 0.006 . . . . . . 12 MET QE . 18648 1 132 . 1 1 12 12 MET HE3 H 1 1.944 0.006 . . . . . . 12 MET QE . 18648 1 133 . 1 1 12 12 MET C C 13 177.592 0.000 . . . . . . 12 MET C . 18648 1 134 . 1 1 12 12 MET CA C 13 59.528 0.041 . . . . . . 12 MET CA . 18648 1 135 . 1 1 12 12 MET CB C 13 32.872 0.099 . . . . . . 12 MET CB . 18648 1 136 . 1 1 12 12 MET CG C 13 33.038 0.036 . . . . . . 12 MET CG . 18648 1 137 . 1 1 12 12 MET CE C 13 17.326 0.020 . . . . . . 12 MET CE . 18648 1 138 . 1 1 12 12 MET N N 15 119.828 0.080 . . . . . . 12 MET N . 18648 1 139 . 1 1 13 13 VAL H H 1 8.553 0.009 . . . . . . 13 VAL H . 18648 1 140 . 1 1 13 13 VAL HA H 1 3.468 0.007 . . . . . . 13 VAL HA . 18648 1 141 . 1 1 13 13 VAL HB H 1 2.164 0.009 . . . . . . 13 VAL HB . 18648 1 142 . 1 1 13 13 VAL HG11 H 1 0.862 0.012 . . . . . . 13 VAL QG1 . 18648 1 143 . 1 1 13 13 VAL HG12 H 1 0.862 0.012 . . . . . . 13 VAL QG1 . 18648 1 144 . 1 1 13 13 VAL HG13 H 1 0.862 0.012 . . . . . . 13 VAL QG1 . 18648 1 145 . 1 1 13 13 VAL HG21 H 1 1.034 0.009 . . . . . . 13 VAL QG2 . 18648 1 146 . 1 1 13 13 VAL HG22 H 1 1.034 0.009 . . . . . . 13 VAL QG2 . 18648 1 147 . 1 1 13 13 VAL HG23 H 1 1.034 0.009 . . . . . . 13 VAL QG2 . 18648 1 148 . 1 1 13 13 VAL C C 13 177.862 0.000 . . . . . . 13 VAL C . 18648 1 149 . 1 1 13 13 VAL CA C 13 67.092 0.030 . . . . . . 13 VAL CA . 18648 1 150 . 1 1 13 13 VAL CB C 13 31.446 0.022 . . . . . . 13 VAL CB . 18648 1 151 . 1 1 13 13 VAL CG1 C 13 21.498 0.044 . . . . . . 13 VAL CG1 . 18648 1 152 . 1 1 13 13 VAL CG2 C 13 23.269 0.089 . . . . . . 13 VAL CG2 . 18648 1 153 . 1 1 13 13 VAL N N 15 120.275 0.108 . . . . . . 13 VAL N . 18648 1 154 . 1 1 14 14 GLY H H 1 8.684 0.005 . . . . . . 14 GLY H . 18648 1 155 . 1 1 14 14 GLY HA2 H 1 3.551 0.011 . . . . . . 14 GLY QA . 18648 1 156 . 1 1 14 14 GLY HA3 H 1 3.551 0.011 . . . . . . 14 GLY QA . 18648 1 157 . 1 1 14 14 GLY C C 13 174.834 0.000 . . . . . . 14 GLY C . 18648 1 158 . 1 1 14 14 GLY CA C 13 47.566 0.004 . . . . . . 14 GLY CA . 18648 1 159 . 1 1 14 14 GLY N N 15 108.653 0.140 . . . . . . 14 GLY N . 18648 1 160 . 1 1 15 15 GLY H H 1 8.701 0.004 . . . . . . 15 GLY H . 18648 1 161 . 1 1 15 15 GLY HA2 H 1 3.639 0.008 . . . . . . 15 GLY HA2 . 18648 1 162 . 1 1 15 15 GLY HA3 H 1 3.574 0.009 . . . . . . 15 GLY HA3 . 18648 1 163 . 1 1 15 15 GLY C C 13 174.373 0.000 . . . . . . 15 GLY C . 18648 1 164 . 1 1 15 15 GLY CA C 13 47.517 0.019 . . . . . . 15 GLY CA . 18648 1 165 . 1 1 15 15 GLY N N 15 110.762 0.114 . . . . . . 15 GLY N . 18648 1 166 . 1 1 16 16 VAL H H 1 8.168 0.005 . . . . . . 16 VAL H . 18648 1 167 . 1 1 16 16 VAL HA H 1 3.587 0.007 . . . . . . 16 VAL HA . 18648 1 168 . 1 1 16 16 VAL HB H 1 2.267 0.006 . . . . . . 16 VAL HB . 18648 1 169 . 1 1 16 16 VAL HG11 H 1 0.861 0.012 . . . . . . 16 VAL QG1 . 18648 1 170 . 1 1 16 16 VAL HG12 H 1 0.861 0.012 . . . . . . 16 VAL QG1 . 18648 1 171 . 1 1 16 16 VAL HG13 H 1 0.861 0.012 . . . . . . 16 VAL QG1 . 18648 1 172 . 1 1 16 16 VAL HG21 H 1 1.042 0.013 . . . . . . 16 VAL QG2 . 18648 1 173 . 1 1 16 16 VAL HG22 H 1 1.042 0.013 . . . . . . 16 VAL QG2 . 18648 1 174 . 1 1 16 16 VAL HG23 H 1 1.042 0.013 . . . . . . 16 VAL QG2 . 18648 1 175 . 1 1 16 16 VAL C C 13 178.906 0.000 . . . . . . 16 VAL C . 18648 1 176 . 1 1 16 16 VAL CA C 13 67.095 0.025 . . . . . . 16 VAL CA . 18648 1 177 . 1 1 16 16 VAL CB C 13 31.311 0.034 . . . . . . 16 VAL CB . 18648 1 178 . 1 1 16 16 VAL CG1 C 13 21.413 0.077 . . . . . . 16 VAL CG1 . 18648 1 179 . 1 1 16 16 VAL CG2 C 13 23.386 0.036 . . . . . . 16 VAL CG2 . 18648 1 180 . 1 1 16 16 VAL N N 15 123.367 0.070 . . . . . . 16 VAL N . 18648 1 181 . 1 1 17 17 VAL H H 1 8.485 0.005 . . . . . . 17 VAL H . 18648 1 182 . 1 1 17 17 VAL HA H 1 3.449 0.007 . . . . . . 17 VAL HA . 18648 1 183 . 1 1 17 17 VAL HB H 1 2.288 0.005 . . . . . . 17 VAL HB . 18648 1 184 . 1 1 17 17 VAL HG11 H 1 0.861 0.007 . . . . . . 17 VAL QG1 . 18648 1 185 . 1 1 17 17 VAL HG12 H 1 0.861 0.007 . . . . . . 17 VAL QG1 . 18648 1 186 . 1 1 17 17 VAL HG13 H 1 0.861 0.007 . . . . . . 17 VAL QG1 . 18648 1 187 . 1 1 17 17 VAL HG21 H 1 0.992 0.011 . . . . . . 17 VAL QG2 . 18648 1 188 . 1 1 17 17 VAL HG22 H 1 0.992 0.011 . . . . . . 17 VAL QG2 . 18648 1 189 . 1 1 17 17 VAL HG23 H 1 0.992 0.011 . . . . . . 17 VAL QG2 . 18648 1 190 . 1 1 17 17 VAL C C 13 177.371 0.000 . . . . . . 17 VAL C . 18648 1 191 . 1 1 17 17 VAL CA C 13 67.760 0.078 . . . . . . 17 VAL CA . 18648 1 192 . 1 1 17 17 VAL CB C 13 31.180 0.040 . . . . . . 17 VAL CB . 18648 1 193 . 1 1 17 17 VAL CG1 C 13 21.267 0.063 . . . . . . 17 VAL CG1 . 18648 1 194 . 1 1 17 17 VAL CG2 C 13 23.105 0.123 . . . . . . 17 VAL CG2 . 18648 1 195 . 1 1 17 17 VAL N N 15 125.188 0.091 . . . . . . 17 VAL N . 18648 1 196 . 1 1 18 18 ILE H H 1 8.442 0.005 . . . . . . 18 ILE H . 18648 1 197 . 1 1 18 18 ILE HA H 1 3.650 0.007 . . . . . . 18 ILE HA . 18648 1 198 . 1 1 18 18 ILE HB H 1 1.936 0.009 . . . . . . 18 ILE HB . 18648 1 199 . 1 1 18 18 ILE HG12 H 1 1.733 0.007 . . . . . . 18 ILE HG12 . 18648 1 200 . 1 1 18 18 ILE HG13 H 1 1.105 0.008 . . . . . . 18 ILE HG13 . 18648 1 201 . 1 1 18 18 ILE HG21 H 1 0.842 0.012 . . . . . . 18 ILE QG2 . 18648 1 202 . 1 1 18 18 ILE HG22 H 1 0.842 0.012 . . . . . . 18 ILE QG2 . 18648 1 203 . 1 1 18 18 ILE HG23 H 1 0.842 0.012 . . . . . . 18 ILE QG2 . 18648 1 204 . 1 1 18 18 ILE HD11 H 1 0.738 0.006 . . . . . . 18 ILE QD1 . 18648 1 205 . 1 1 18 18 ILE HD12 H 1 0.738 0.006 . . . . . . 18 ILE QD1 . 18648 1 206 . 1 1 18 18 ILE HD13 H 1 0.738 0.006 . . . . . . 18 ILE QD1 . 18648 1 207 . 1 1 18 18 ILE C C 13 177.511 0.000 . . . . . . 18 ILE C . 18648 1 208 . 1 1 18 18 ILE CA C 13 65.269 0.060 . . . . . . 18 ILE CA . 18648 1 209 . 1 1 18 18 ILE CB C 13 37.245 0.096 . . . . . . 18 ILE CB . 18648 1 210 . 1 1 18 18 ILE CG1 C 13 29.385 0.077 . . . . . . 18 ILE CG1 . 18648 1 211 . 1 1 18 18 ILE CG2 C 13 17.200 0.138 . . . . . . 18 ILE CG2 . 18648 1 212 . 1 1 18 18 ILE CD1 C 13 12.380 0.088 . . . . . . 18 ILE CD1 . 18648 1 213 . 1 1 18 18 ILE N N 15 121.855 0.092 . . . . . . 18 ILE N . 18648 1 214 . 1 1 19 19 ALA H H 1 8.600 0.004 . . . . . . 19 ALA H . 18648 1 215 . 1 1 19 19 ALA HA H 1 3.878 0.008 . . . . . . 19 ALA HA . 18648 1 216 . 1 1 19 19 ALA HB1 H 1 1.416 0.022 . . . . . . 19 ALA QB . 18648 1 217 . 1 1 19 19 ALA HB2 H 1 1.416 0.022 . . . . . . 19 ALA QB . 18648 1 218 . 1 1 19 19 ALA HB3 H 1 1.416 0.022 . . . . . . 19 ALA QB . 18648 1 219 . 1 1 19 19 ALA C C 13 178.836 0.000 . . . . . . 19 ALA C . 18648 1 220 . 1 1 19 19 ALA CA C 13 55.888 0.086 . . . . . . 19 ALA CA . 18648 1 221 . 1 1 19 19 ALA CB C 13 18.041 0.125 . . . . . . 19 ALA CB . 18648 1 222 . 1 1 19 19 ALA N N 15 123.379 0.131 . . . . . . 19 ALA N . 18648 1 223 . 1 1 20 20 THR H H 1 8.197 0.005 . . . . . . 20 THR H . 18648 1 224 . 1 1 20 20 THR HA H 1 3.643 0.008 . . . . . . 20 THR HA . 18648 1 225 . 1 1 20 20 THR HB H 1 4.278 0.010 . . . . . . 20 THR HB . 18648 1 226 . 1 1 20 20 THR HG21 H 1 1.107 0.018 . . . . . . 20 THR QG2 . 18648 1 227 . 1 1 20 20 THR HG22 H 1 1.107 0.018 . . . . . . 20 THR QG2 . 18648 1 228 . 1 1 20 20 THR HG23 H 1 1.107 0.018 . . . . . . 20 THR QG2 . 18648 1 229 . 1 1 20 20 THR C C 13 176.214 0.000 . . . . . . 20 THR C . 18648 1 230 . 1 1 20 20 THR CA C 13 68.303 0.083 . . . . . . 20 THR CA . 18648 1 231 . 1 1 20 20 THR CB C 13 67.651 0.048 . . . . . . 20 THR CB . 18648 1 232 . 1 1 20 20 THR CG2 C 13 21.375 0.095 . . . . . . 20 THR CG2 . 18648 1 233 . 1 1 20 20 THR N N 15 116.547 0.095 . . . . . . 20 THR N . 18648 1 234 . 1 1 21 21 MET H H 1 8.240 0.003 . . . . . . 21 MET H . 18648 1 235 . 1 1 21 21 MET HA H 1 4.021 0.007 . . . . . . 21 MET HA . 18648 1 236 . 1 1 21 21 MET HB2 H 1 1.938 0.004 . . . . . . 21 MET HB2 . 18648 1 237 . 1 1 21 21 MET HB3 H 1 1.846 0.007 . . . . . . 21 MET HB3 . 18648 1 238 . 1 1 21 21 MET HG2 H 1 2.743 0.009 . . . . . . 21 MET HG2 . 18648 1 239 . 1 1 21 21 MET HG3 H 1 2.382 0.012 . . . . . . 21 MET HG3 . 18648 1 240 . 1 1 21 21 MET HE1 H 1 1.898 0.012 . . . . . . 21 MET QE . 18648 1 241 . 1 1 21 21 MET HE2 H 1 1.898 0.012 . . . . . . 21 MET QE . 18648 1 242 . 1 1 21 21 MET HE3 H 1 1.898 0.012 . . . . . . 21 MET QE . 18648 1 243 . 1 1 21 21 MET C C 13 179.233 0.000 . . . . . . 21 MET C . 18648 1 244 . 1 1 21 21 MET CA C 13 59.377 0.024 . . . . . . 21 MET CA . 18648 1 245 . 1 1 21 21 MET CB C 13 32.970 0.030 . . . . . . 21 MET CB . 18648 1 246 . 1 1 21 21 MET CG C 13 32.843 0.038 . . . . . . 21 MET CG . 18648 1 247 . 1 1 21 21 MET CE C 13 16.922 0.203 . . . . . . 21 MET CE . 18648 1 248 . 1 1 21 21 MET N N 15 122.008 0.090 . . . . . . 21 MET N . 18648 1 249 . 1 1 22 22 ILE H H 1 8.428 0.005 . . . . . . 22 ILE H . 18648 1 250 . 1 1 22 22 ILE HA H 1 3.554 0.009 . . . . . . 22 ILE HA . 18648 1 251 . 1 1 22 22 ILE HB H 1 2.116 0.011 . . . . . . 22 ILE HB . 18648 1 252 . 1 1 22 22 ILE HG12 H 1 1.951 0.010 . . . . . . 22 ILE HG12 . 18648 1 253 . 1 1 22 22 ILE HG13 H 1 0.948 0.009 . . . . . . 22 ILE HG13 . 18648 1 254 . 1 1 22 22 ILE HG21 H 1 0.842 0.007 . . . . . . 22 ILE QG2 . 18648 1 255 . 1 1 22 22 ILE HG22 H 1 0.842 0.007 . . . . . . 22 ILE QG2 . 18648 1 256 . 1 1 22 22 ILE HG23 H 1 0.842 0.007 . . . . . . 22 ILE QG2 . 18648 1 257 . 1 1 22 22 ILE HD11 H 1 0.775 0.006 . . . . . . 22 ILE QD1 . 18648 1 258 . 1 1 22 22 ILE HD12 H 1 0.775 0.006 . . . . . . 22 ILE QD1 . 18648 1 259 . 1 1 22 22 ILE HD13 H 1 0.775 0.006 . . . . . . 22 ILE QD1 . 18648 1 260 . 1 1 22 22 ILE C C 13 176.896 0.000 . . . . . . 22 ILE C . 18648 1 261 . 1 1 22 22 ILE CA C 13 66.202 0.081 . . . . . . 22 ILE CA . 18648 1 262 . 1 1 22 22 ILE CB C 13 37.532 0.040 . . . . . . 22 ILE CB . 18648 1 263 . 1 1 22 22 ILE CG1 C 13 29.377 0.083 . . . . . . 22 ILE CG1 . 18648 1 264 . 1 1 22 22 ILE CG2 C 13 17.139 0.033 . . . . . . 22 ILE CG2 . 18648 1 265 . 1 1 22 22 ILE CD1 C 13 13.712 0.050 . . . . . . 22 ILE CD1 . 18648 1 266 . 1 1 22 22 ILE N N 15 124.153 0.082 . . . . . . 22 ILE N . 18648 1 267 . 1 1 23 23 VAL H H 1 8.298 0.005 . . . . . . 23 VAL H . 18648 1 268 . 1 1 23 23 VAL HA H 1 3.518 0.006 . . . . . . 23 VAL HA . 18648 1 269 . 1 1 23 23 VAL HB H 1 2.276 0.010 . . . . . . 23 VAL HB . 18648 1 270 . 1 1 23 23 VAL HG11 H 1 0.933 0.009 . . . . . . 23 VAL QG1 . 18648 1 271 . 1 1 23 23 VAL HG12 H 1 0.933 0.009 . . . . . . 23 VAL QG1 . 18648 1 272 . 1 1 23 23 VAL HG13 H 1 0.933 0.009 . . . . . . 23 VAL QG1 . 18648 1 273 . 1 1 23 23 VAL HG21 H 1 1.084 0.008 . . . . . . 23 VAL QG2 . 18648 1 274 . 1 1 23 23 VAL HG22 H 1 1.084 0.008 . . . . . . 23 VAL QG2 . 18648 1 275 . 1 1 23 23 VAL HG23 H 1 1.084 0.008 . . . . . . 23 VAL QG2 . 18648 1 276 . 1 1 23 23 VAL C C 13 177.486 0.000 . . . . . . 23 VAL C . 18648 1 277 . 1 1 23 23 VAL CA C 13 68.059 0.029 . . . . . . 23 VAL CA . 18648 1 278 . 1 1 23 23 VAL CB C 13 31.394 0.045 . . . . . . 23 VAL CB . 18648 1 279 . 1 1 23 23 VAL CG1 C 13 21.719 0.148 . . . . . . 23 VAL CG1 . 18648 1 280 . 1 1 23 23 VAL CG2 C 13 23.414 0.071 . . . . . . 23 VAL CG2 . 18648 1 281 . 1 1 23 23 VAL N N 15 121.952 0.085 . . . . . . 23 VAL N . 18648 1 282 . 1 1 24 24 ILE H H 1 8.577 0.005 . . . . . . 24 ILE H . 18648 1 283 . 1 1 24 24 ILE HA H 1 3.560 0.008 . . . . . . 24 ILE HA . 18648 1 284 . 1 1 24 24 ILE HB H 1 1.907 0.011 . . . . . . 24 ILE HB . 18648 1 285 . 1 1 24 24 ILE HG12 H 1 1.907 0.009 . . . . . . 24 ILE HG12 . 18648 1 286 . 1 1 24 24 ILE HG13 H 1 1.095 0.006 . . . . . . 24 ILE HG13 . 18648 1 287 . 1 1 24 24 ILE HG21 H 1 0.897 0.008 . . . . . . 24 ILE QG2 . 18648 1 288 . 1 1 24 24 ILE HG22 H 1 0.897 0.008 . . . . . . 24 ILE QG2 . 18648 1 289 . 1 1 24 24 ILE HG23 H 1 0.897 0.008 . . . . . . 24 ILE QG2 . 18648 1 290 . 1 1 24 24 ILE HD11 H 1 0.823 0.008 . . . . . . 24 ILE QD1 . 18648 1 291 . 1 1 24 24 ILE HD12 H 1 0.823 0.008 . . . . . . 24 ILE QD1 . 18648 1 292 . 1 1 24 24 ILE HD13 H 1 0.823 0.008 . . . . . . 24 ILE QD1 . 18648 1 293 . 1 1 24 24 ILE C C 13 177.389 0.000 . . . . . . 24 ILE C . 18648 1 294 . 1 1 24 24 ILE CA C 13 65.759 0.070 . . . . . . 24 ILE CA . 18648 1 295 . 1 1 24 24 ILE CB C 13 37.828 0.063 . . . . . . 24 ILE CB . 18648 1 296 . 1 1 24 24 ILE CG1 C 13 29.549 0.036 . . . . . . 24 ILE CG1 . 18648 1 297 . 1 1 24 24 ILE CG2 C 13 17.640 0.161 . . . . . . 24 ILE CG2 . 18648 1 298 . 1 1 24 24 ILE CD1 C 13 13.672 0.303 . . . . . . 24 ILE CD1 . 18648 1 299 . 1 1 24 24 ILE N N 15 120.066 0.140 . . . . . . 24 ILE N . 18648 1 300 . 1 1 25 25 THR H H 1 7.929 0.004 . . . . . . 25 THR H . 18648 1 301 . 1 1 25 25 THR HA H 1 3.679 0.007 . . . . . . 25 THR HA . 18648 1 302 . 1 1 25 25 THR HB H 1 4.308 0.005 . . . . . . 25 THR HB . 18648 1 303 . 1 1 25 25 THR HG21 H 1 1.136 0.010 . . . . . . 25 THR QG2 . 18648 1 304 . 1 1 25 25 THR HG22 H 1 1.136 0.010 . . . . . . 25 THR QG2 . 18648 1 305 . 1 1 25 25 THR HG23 H 1 1.136 0.010 . . . . . . 25 THR QG2 . 18648 1 306 . 1 1 25 25 THR C C 13 175.961 0.000 . . . . . . 25 THR C . 18648 1 307 . 1 1 25 25 THR CA C 13 68.628 0.049 . . . . . . 25 THR CA . 18648 1 308 . 1 1 25 25 THR CB C 13 67.708 0.057 . . . . . . 25 THR CB . 18648 1 309 . 1 1 25 25 THR CG2 C 13 21.581 0.062 . . . . . . 25 THR CG2 . 18648 1 310 . 1 1 25 25 THR N N 15 119.141 0.085 . . . . . . 25 THR N . 18648 1 311 . 1 1 26 26 LEU H H 1 8.281 0.005 . . . . . . 26 LEU H . 18648 1 312 . 1 1 26 26 LEU HA H 1 3.991 0.007 . . . . . . 26 LEU HA . 18648 1 313 . 1 1 26 26 LEU HB2 H 1 2.018 0.006 . . . . . . 26 LEU HB2 . 18648 1 314 . 1 1 26 26 LEU HB3 H 1 1.487 0.005 . . . . . . 26 LEU HB3 . 18648 1 315 . 1 1 26 26 LEU HG H 1 1.954 0.003 . . . . . . 26 LEU HG . 18648 1 316 . 1 1 26 26 LEU HD11 H 1 0.899 0.010 . . . . . . 26 LEU QD1 . 18648 1 317 . 1 1 26 26 LEU HD12 H 1 0.899 0.010 . . . . . . 26 LEU QD1 . 18648 1 318 . 1 1 26 26 LEU HD13 H 1 0.899 0.010 . . . . . . 26 LEU QD1 . 18648 1 319 . 1 1 26 26 LEU HD21 H 1 0.860 0.008 . . . . . . 26 LEU QD2 . 18648 1 320 . 1 1 26 26 LEU HD22 H 1 0.860 0.008 . . . . . . 26 LEU QD2 . 18648 1 321 . 1 1 26 26 LEU HD23 H 1 0.860 0.008 . . . . . . 26 LEU QD2 . 18648 1 322 . 1 1 26 26 LEU C C 13 179.013 0.000 . . . . . . 26 LEU C . 18648 1 323 . 1 1 26 26 LEU CA C 13 58.416 0.082 . . . . . . 26 LEU CA . 18648 1 324 . 1 1 26 26 LEU CB C 13 41.888 0.020 . . . . . . 26 LEU CB . 18648 1 325 . 1 1 26 26 LEU CG C 13 26.996 0.068 . . . . . . 26 LEU CG . 18648 1 326 . 1 1 26 26 LEU CD1 C 13 25.491 0.269 . . . . . . 26 LEU CD1 . 18648 1 327 . 1 1 26 26 LEU CD2 C 13 23.617 0.492 . . . . . . 26 LEU CD2 . 18648 1 328 . 1 1 26 26 LEU N N 15 122.503 0.100 . . . . . . 26 LEU N . 18648 1 329 . 1 1 27 27 VAL H H 1 8.319 0.008 . . . . . . 27 VAL H . 18648 1 330 . 1 1 27 27 VAL HA H 1 3.614 0.008 . . . . . . 27 VAL HA . 18648 1 331 . 1 1 27 27 VAL HB H 1 2.279 0.010 . . . . . . 27 VAL HB . 18648 1 332 . 1 1 27 27 VAL HG11 H 1 0.945 0.007 . . . . . . 27 VAL QG1 . 18648 1 333 . 1 1 27 27 VAL HG12 H 1 0.945 0.007 . . . . . . 27 VAL QG1 . 18648 1 334 . 1 1 27 27 VAL HG13 H 1 0.945 0.007 . . . . . . 27 VAL QG1 . 18648 1 335 . 1 1 27 27 VAL HG21 H 1 1.076 0.009 . . . . . . 27 VAL QG2 . 18648 1 336 . 1 1 27 27 VAL HG22 H 1 1.076 0.009 . . . . . . 27 VAL QG2 . 18648 1 337 . 1 1 27 27 VAL HG23 H 1 1.076 0.009 . . . . . . 27 VAL QG2 . 18648 1 338 . 1 1 27 27 VAL C C 13 178.165 0.000 . . . . . . 27 VAL C . 18648 1 339 . 1 1 27 27 VAL CA C 13 66.620 0.063 . . . . . . 27 VAL CA . 18648 1 340 . 1 1 27 27 VAL CB C 13 31.589 0.076 . . . . . . 27 VAL CB . 18648 1 341 . 1 1 27 27 VAL CG1 C 13 21.705 0.072 . . . . . . 27 VAL CG1 . 18648 1 342 . 1 1 27 27 VAL CG2 C 13 23.288 0.079 . . . . . . 27 VAL CG2 . 18648 1 343 . 1 1 27 27 VAL N N 15 119.997 0.128 . . . . . . 27 VAL N . 18648 1 344 . 1 1 28 28 MET H H 1 8.308 0.007 . . . . . . 28 MET H . 18648 1 345 . 1 1 28 28 MET HA H 1 4.259 0.005 . . . . . . 28 MET HA . 18648 1 346 . 1 1 28 28 MET HB2 H 1 2.325 0.007 . . . . . . 28 MET HB2 . 18648 1 347 . 1 1 28 28 MET HB3 H 1 2.076 0.015 . . . . . . 28 MET HB3 . 18648 1 348 . 1 1 28 28 MET HG2 H 1 2.693 0.008 . . . . . . 28 MET QG . 18648 1 349 . 1 1 28 28 MET HG3 H 1 2.693 0.008 . . . . . . 28 MET QG . 18648 1 350 . 1 1 28 28 MET HE1 H 1 2.094 0.007 . . . . . . 28 MET QE . 18648 1 351 . 1 1 28 28 MET HE2 H 1 2.094 0.007 . . . . . . 28 MET QE . 18648 1 352 . 1 1 28 28 MET HE3 H 1 2.094 0.007 . . . . . . 28 MET QE . 18648 1 353 . 1 1 28 28 MET C C 13 178.391 0.000 . . . . . . 28 MET C . 18648 1 354 . 1 1 28 28 MET CA C 13 57.864 0.054 . . . . . . 28 MET CA . 18648 1 355 . 1 1 28 28 MET CB C 13 32.539 0.233 . . . . . . 28 MET CB . 18648 1 356 . 1 1 28 28 MET CG C 13 33.075 0.027 . . . . . . 28 MET CG . 18648 1 357 . 1 1 28 28 MET CE C 13 17.441 0.018 . . . . . . 28 MET CE . 18648 1 358 . 1 1 28 28 MET N N 15 119.568 0.075 . . . . . . 28 MET N . 18648 1 359 . 1 1 29 29 LEU H H 1 8.170 0.011 . . . . . . 29 LEU H . 18648 1 360 . 1 1 29 29 LEU HA H 1 4.250 0.006 . . . . . . 29 LEU HA . 18648 1 361 . 1 1 29 29 LEU HB2 H 1 1.923 0.008 . . . . . . 29 LEU HB2 . 18648 1 362 . 1 1 29 29 LEU HB3 H 1 1.587 0.010 . . . . . . 29 LEU HB3 . 18648 1 363 . 1 1 29 29 LEU HG H 1 1.956 0.010 . . . . . . 29 LEU HG . 18648 1 364 . 1 1 29 29 LEU HD11 H 1 0.895 0.009 . . . . . . 29 LEU QD1 . 18648 1 365 . 1 1 29 29 LEU HD12 H 1 0.895 0.009 . . . . . . 29 LEU QD1 . 18648 1 366 . 1 1 29 29 LEU HD13 H 1 0.895 0.009 . . . . . . 29 LEU QD1 . 18648 1 367 . 1 1 29 29 LEU HD21 H 1 0.899 0.008 . . . . . . 29 LEU QD2 . 18648 1 368 . 1 1 29 29 LEU HD22 H 1 0.899 0.008 . . . . . . 29 LEU QD2 . 18648 1 369 . 1 1 29 29 LEU HD23 H 1 0.899 0.008 . . . . . . 29 LEU QD2 . 18648 1 370 . 1 1 29 29 LEU C C 13 178.060 0.000 . . . . . . 29 LEU C . 18648 1 371 . 1 1 29 29 LEU CA C 13 56.336 0.082 . . . . . . 29 LEU CA . 18648 1 372 . 1 1 29 29 LEU CB C 13 42.570 0.048 . . . . . . 29 LEU CB . 18648 1 373 . 1 1 29 29 LEU CG C 13 26.933 0.038 . . . . . . 29 LEU CG . 18648 1 374 . 1 1 29 29 LEU CD1 C 13 25.955 0.051 . . . . . . 29 LEU CD1 . 18648 1 375 . 1 1 29 29 LEU CD2 C 13 23.300 0.041 . . . . . . 29 LEU CD2 . 18648 1 376 . 1 1 29 29 LEU N N 15 120.101 0.064 . . . . . . 29 LEU N . 18648 1 377 . 1 1 30 30 LYS H H 1 7.748 0.007 . . . . . . 30 LYS H . 18648 1 378 . 1 1 30 30 LYS HA H 1 4.301 0.007 . . . . . . 30 LYS HA . 18648 1 379 . 1 1 30 30 LYS HB2 H 1 1.946 0.005 . . . . . . 30 LYS HB2 . 18648 1 380 . 1 1 30 30 LYS HB3 H 1 1.904 0.006 . . . . . . 30 LYS HB3 . 18648 1 381 . 1 1 30 30 LYS HG2 H 1 1.527 0.009 . . . . . . 30 LYS QG . 18648 1 382 . 1 1 30 30 LYS HG3 H 1 1.527 0.009 . . . . . . 30 LYS QG . 18648 1 383 . 1 1 30 30 LYS HD2 H 1 1.703 0.006 . . . . . . 30 LYS QD . 18648 1 384 . 1 1 30 30 LYS HD3 H 1 1.703 0.006 . . . . . . 30 LYS QD . 18648 1 385 . 1 1 30 30 LYS HE2 H 1 2.966 0.004 . . . . . . 30 LYS HE2 . 18648 1 386 . 1 1 30 30 LYS HE3 H 1 2.906 0.005 . . . . . . 30 LYS HE3 . 18648 1 387 . 1 1 30 30 LYS C C 13 176.593 0.000 . . . . . . 30 LYS C . 18648 1 388 . 1 1 30 30 LYS CA C 13 56.416 0.087 . . . . . . 30 LYS CA . 18648 1 389 . 1 1 30 30 LYS CB C 13 32.627 0.013 . . . . . . 30 LYS CB . 18648 1 390 . 1 1 30 30 LYS CG C 13 24.821 0.042 . . . . . . 30 LYS CG . 18648 1 391 . 1 1 30 30 LYS CD C 13 28.886 0.031 . . . . . . 30 LYS CD . 18648 1 392 . 1 1 30 30 LYS CE C 13 41.872 0.045 . . . . . . 30 LYS CE . 18648 1 393 . 1 1 30 30 LYS N N 15 120.361 0.079 . . . . . . 30 LYS N . 18648 1 394 . 1 1 31 31 LYS H H 1 7.916 0.002 . . . . . . 31 LYS H . 18648 1 395 . 1 1 31 31 LYS HA H 1 4.300 0.008 . . . . . . 31 LYS HA . 18648 1 396 . 1 1 31 31 LYS HB2 H 1 1.942 0.008 . . . . . . 31 LYS HB2 . 18648 1 397 . 1 1 31 31 LYS HB3 H 1 1.841 0.009 . . . . . . 31 LYS HB3 . 18648 1 398 . 1 1 31 31 LYS HG2 H 1 1.514 0.009 . . . . . . 31 LYS QG . 18648 1 399 . 1 1 31 31 LYS HG3 H 1 1.514 0.009 . . . . . . 31 LYS QG . 18648 1 400 . 1 1 31 31 LYS HD2 H 1 1.697 0.007 . . . . . . 31 LYS QD . 18648 1 401 . 1 1 31 31 LYS HD3 H 1 1.697 0.007 . . . . . . 31 LYS QD . 18648 1 402 . 1 1 31 31 LYS HE2 H 1 2.993 0.005 . . . . . . 31 LYS HE2 . 18648 1 403 . 1 1 31 31 LYS HE3 H 1 2.964 0.004 . . . . . . 31 LYS HE3 . 18648 1 404 . 1 1 31 31 LYS C C 13 175.419 0.000 . . . . . . 31 LYS C . 18648 1 405 . 1 1 31 31 LYS CA C 13 56.580 0.020 . . . . . . 31 LYS CA . 18648 1 406 . 1 1 31 31 LYS CB C 13 32.844 0.023 . . . . . . 31 LYS CB . 18648 1 407 . 1 1 31 31 LYS CG C 13 24.627 0.007 . . . . . . 31 LYS CG . 18648 1 408 . 1 1 31 31 LYS CD C 13 29.123 0.003 . . . . . . 31 LYS CD . 18648 1 409 . 1 1 31 31 LYS CE C 13 41.952 0.037 . . . . . . 31 LYS CE . 18648 1 410 . 1 1 31 31 LYS N N 15 123.833 0.074 . . . . . . 31 LYS N . 18648 1 411 . 1 1 32 32 LYS H H 1 7.761 0.003 . . . . . . 32 LYS H . 18648 1 412 . 1 1 32 32 LYS HA H 1 4.125 0.003 . . . . . . 32 LYS HA . 18648 1 413 . 1 1 32 32 LYS HB2 H 1 1.830 0.006 . . . . . . 32 LYS HB2 . 18648 1 414 . 1 1 32 32 LYS HB3 H 1 1.747 0.004 . . . . . . 32 LYS HB3 . 18648 1 415 . 1 1 32 32 LYS HG2 H 1 1.452 0.006 . . . . . . 32 LYS QG . 18648 1 416 . 1 1 32 32 LYS HG3 H 1 1.452 0.006 . . . . . . 32 LYS QG . 18648 1 417 . 1 1 32 32 LYS HD2 H 1 1.701 0.004 . . . . . . 32 LYS QD . 18648 1 418 . 1 1 32 32 LYS HD3 H 1 1.701 0.004 . . . . . . 32 LYS QD . 18648 1 419 . 1 1 32 32 LYS HE2 H 1 3.002 0.004 . . . . . . 32 LYS QE . 18648 1 420 . 1 1 32 32 LYS HE3 H 1 3.002 0.004 . . . . . . 32 LYS QE . 18648 1 421 . 1 1 32 32 LYS CA C 13 57.874 0.039 . . . . . . 32 LYS CA . 18648 1 422 . 1 1 32 32 LYS CB C 13 33.737 0.024 . . . . . . 32 LYS CB . 18648 1 423 . 1 1 32 32 LYS CG C 13 24.866 0.006 . . . . . . 32 LYS CG . 18648 1 424 . 1 1 32 32 LYS CD C 13 28.994 0.020 . . . . . . 32 LYS CD . 18648 1 425 . 1 1 32 32 LYS CE C 13 42.152 0.000 . . . . . . 32 LYS CE . 18648 1 426 . 1 1 32 32 LYS N N 15 129.903 0.053 . . . . . . 32 LYS N . 18648 1 stop_ save_