################################### # 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 18649 _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' . . . 18649 1 2 '2D 1H-13C HSQC' . . . 18649 1 3 '3D HNCACB' . . . 18649 1 4 '3D HBHA(CO)NH' . . . 18649 1 5 '3D HNCO' . . . 18649 1 6 '3D HCCH-TOCSY' . . . 18649 1 7 '3D HNHA' . . . 18649 1 8 '3D H(CCO)NH' . . . 18649 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 4.345 0.007 . . . . . . 2 ALA HA . 18649 1 2 . 1 1 2 2 ALA HB1 H 1 1.425 0.003 . . . . . . 2 ALA QB . 18649 1 3 . 1 1 2 2 ALA HB2 H 1 1.425 0.003 . . . . . . 2 ALA QB . 18649 1 4 . 1 1 2 2 ALA HB3 H 1 1.425 0.003 . . . . . . 2 ALA QB . 18649 1 5 . 1 1 2 2 ALA C C 13 177.782 0.000 . . . . . . 2 ALA C . 18649 1 6 . 1 1 2 2 ALA CA C 13 52.753 0.057 . . . . . . 2 ALA CA . 18649 1 7 . 1 1 2 2 ALA CB C 13 19.428 0.158 . . . . . . 2 ALA CB . 18649 1 8 . 1 1 3 3 MET H H 1 8.576 0.004 . . . . . . 3 MET H . 18649 1 9 . 1 1 3 3 MET HA H 1 4.364 0.005 . . . . . . 3 MET HA . 18649 1 10 . 1 1 3 3 MET HB2 H 1 2.051 0.005 . . . . . . 3 MET QB . 18649 1 11 . 1 1 3 3 MET HB3 H 1 2.051 0.005 . . . . . . 3 MET QB . 18649 1 12 . 1 1 3 3 MET HG2 H 1 2.630 0.002 . . . . . . 3 MET HG2 . 18649 1 13 . 1 1 3 3 MET HG3 H 1 2.574 0.010 . . . . . . 3 MET HG3 . 18649 1 14 . 1 1 3 3 MET HE1 H 1 2.064 0.001 . . . . . . 3 MET QE . 18649 1 15 . 1 1 3 3 MET HE2 H 1 2.064 0.001 . . . . . . 3 MET QE . 18649 1 16 . 1 1 3 3 MET HE3 H 1 2.064 0.001 . . . . . . 3 MET QE . 18649 1 17 . 1 1 3 3 MET C C 13 175.698 0.000 . . . . . . 3 MET C . 18649 1 18 . 1 1 3 3 MET CA C 13 56.015 0.053 . . . . . . 3 MET CA . 18649 1 19 . 1 1 3 3 MET CB C 13 33.145 0.069 . . . . . . 3 MET CB . 18649 1 20 . 1 1 3 3 MET CG C 13 32.567 0.099 . . . . . . 3 MET CG . 18649 1 21 . 1 1 3 3 MET CE C 13 17.195 0.046 . . . . . . 3 MET CE . 18649 1 22 . 1 1 3 3 MET N N 15 121.531 0.054 . . . . . . 3 MET N . 18649 1 23 . 1 1 4 4 ALA H H 1 8.364 0.009 . . . . . . 4 ALA H . 18649 1 24 . 1 1 4 4 ALA HA H 1 4.309 0.006 . . . . . . 4 ALA HA . 18649 1 25 . 1 1 4 4 ALA HB1 H 1 1.521 0.010 . . . . . . 4 ALA QB . 18649 1 26 . 1 1 4 4 ALA HB2 H 1 1.521 0.010 . . . . . . 4 ALA QB . 18649 1 27 . 1 1 4 4 ALA HB3 H 1 1.521 0.010 . . . . . . 4 ALA QB . 18649 1 28 . 1 1 4 4 ALA C C 13 178.075 0.000 . . . . . . 4 ALA C . 18649 1 29 . 1 1 4 4 ALA CA C 13 52.423 0.110 . . . . . . 4 ALA CA . 18649 1 30 . 1 1 4 4 ALA CB C 13 19.176 0.147 . . . . . . 4 ALA CB . 18649 1 31 . 1 1 4 4 ALA N N 15 127.201 0.065 . . . . . . 4 ALA N . 18649 1 32 . 1 1 5 5 LYS H H 1 8.432 0.005 . . . . . . 5 LYS H . 18649 1 33 . 1 1 5 5 LYS HA H 1 4.039 0.003 . . . . . . 5 LYS HA . 18649 1 34 . 1 1 5 5 LYS HB2 H 1 1.862 0.004 . . . . . . 5 LYS QB . 18649 1 35 . 1 1 5 5 LYS HB3 H 1 1.862 0.004 . . . . . . 5 LYS QB . 18649 1 36 . 1 1 5 5 LYS HG2 H 1 1.536 0.005 . . . . . . 5 LYS HG2 . 18649 1 37 . 1 1 5 5 LYS HG3 H 1 1.455 0.010 . . . . . . 5 LYS HG3 . 18649 1 38 . 1 1 5 5 LYS HD2 H 1 1.714 0.002 . . . . . . 5 LYS QD . 18649 1 39 . 1 1 5 5 LYS HD3 H 1 1.714 0.002 . . . . . . 5 LYS QD . 18649 1 40 . 1 1 5 5 LYS HE2 H 1 2.977 0.009 . . . . . . 5 LYS QE . 18649 1 41 . 1 1 5 5 LYS HE3 H 1 2.977 0.009 . . . . . . 5 LYS QE . 18649 1 42 . 1 1 5 5 LYS C C 13 177.954 0.000 . . . . . . 5 LYS C . 18649 1 43 . 1 1 5 5 LYS CA C 13 59.110 0.083 . . . . . . 5 LYS CA . 18649 1 44 . 1 1 5 5 LYS CB C 13 32.523 0.069 . . . . . . 5 LYS CB . 18649 1 45 . 1 1 5 5 LYS CG C 13 25.296 0.051 . . . . . . 5 LYS CG . 18649 1 46 . 1 1 5 5 LYS CD C 13 28.758 0.087 . . . . . . 5 LYS CD . 18649 1 47 . 1 1 5 5 LYS CE C 13 41.803 0.159 . . . . . . 5 LYS CE . 18649 1 48 . 1 1 5 5 LYS N N 15 122.959 0.067 . . . . . . 5 LYS N . 18649 1 49 . 1 1 6 6 GLY H H 1 8.814 0.007 . . . . . . 6 GLY H . 18649 1 50 . 1 1 6 6 GLY HA2 H 1 3.892 0.006 . . . . . . 6 GLY HA2 . 18649 1 51 . 1 1 6 6 GLY HA3 H 1 3.749 0.003 . . . . . . 6 GLY HA3 . 18649 1 52 . 1 1 6 6 GLY C C 13 174.922 0.000 . . . . . . 6 GLY C . 18649 1 53 . 1 1 6 6 GLY CA C 13 47.025 0.110 . . . . . . 6 GLY CA . 18649 1 54 . 1 1 6 6 GLY N N 15 108.626 0.037 . . . . . . 6 GLY N . 18649 1 55 . 1 1 7 7 ALA H H 1 7.724 0.019 . . . . . . 7 ALA H . 18649 1 56 . 1 1 7 7 ALA HA H 1 4.136 0.006 . . . . . . 7 ALA HA . 18649 1 57 . 1 1 7 7 ALA HB1 H 1 1.524 0.022 . . . . . . 7 ALA QB . 18649 1 58 . 1 1 7 7 ALA HB2 H 1 1.524 0.022 . . . . . . 7 ALA QB . 18649 1 59 . 1 1 7 7 ALA HB3 H 1 1.524 0.022 . . . . . . 7 ALA QB . 18649 1 60 . 1 1 7 7 ALA C C 13 178.490 0.000 . . . . . . 7 ALA C . 18649 1 61 . 1 1 7 7 ALA CA C 13 54.643 0.126 . . . . . . 7 ALA CA . 18649 1 62 . 1 1 7 7 ALA CB C 13 18.743 0.098 . . . . . . 7 ALA CB . 18649 1 63 . 1 1 7 7 ALA N N 15 124.659 0.062 . . . . . . 7 ALA N . 18649 1 64 . 1 1 8 8 ILE H H 1 7.778 0.004 . . . . . . 8 ILE H . 18649 1 65 . 1 1 8 8 ILE HA H 1 3.756 0.006 . . . . . . 8 ILE HA . 18649 1 66 . 1 1 8 8 ILE HB H 1 2.062 0.009 . . . . . . 8 ILE HB . 18649 1 67 . 1 1 8 8 ILE HG12 H 1 1.733 0.005 . . . . . . 8 ILE HG12 . 18649 1 68 . 1 1 8 8 ILE HG13 H 1 1.192 0.008 . . . . . . 8 ILE HG13 . 18649 1 69 . 1 1 8 8 ILE HG21 H 1 0.971 0.010 . . . . . . 8 ILE QG2 . 18649 1 70 . 1 1 8 8 ILE HG22 H 1 0.971 0.010 . . . . . . 8 ILE QG2 . 18649 1 71 . 1 1 8 8 ILE HG23 H 1 0.971 0.010 . . . . . . 8 ILE QG2 . 18649 1 72 . 1 1 8 8 ILE HD11 H 1 0.898 0.004 . . . . . . 8 ILE QD1 . 18649 1 73 . 1 1 8 8 ILE HD12 H 1 0.898 0.004 . . . . . . 8 ILE QD1 . 18649 1 74 . 1 1 8 8 ILE HD13 H 1 0.898 0.004 . . . . . . 8 ILE QD1 . 18649 1 75 . 1 1 8 8 ILE C C 13 177.438 0.000 . . . . . . 8 ILE C . 18649 1 76 . 1 1 8 8 ILE CA C 13 64.505 0.115 . . . . . . 8 ILE CA . 18649 1 77 . 1 1 8 8 ILE CB C 13 37.502 0.065 . . . . . . 8 ILE CB . 18649 1 78 . 1 1 8 8 ILE CG1 C 13 29.109 0.151 . . . . . . 8 ILE CG1 . 18649 1 79 . 1 1 8 8 ILE CG2 C 13 17.756 0.122 . . . . . . 8 ILE CG2 . 18649 1 80 . 1 1 8 8 ILE CD1 C 13 12.990 0.112 . . . . . . 8 ILE CD1 . 18649 1 81 . 1 1 8 8 ILE N N 15 119.276 0.040 . . . . . . 8 ILE N . 18649 1 82 . 1 1 9 9 ILE H H 1 8.093 0.004 . . . . . . 9 ILE H . 18649 1 83 . 1 1 9 9 ILE HA H 1 3.731 0.009 . . . . . . 9 ILE HA . 18649 1 84 . 1 1 9 9 ILE HB H 1 1.990 0.009 . . . . . . 9 ILE HB . 18649 1 85 . 1 1 9 9 ILE HG12 H 1 1.811 0.006 . . . . . . 9 ILE HG12 . 18649 1 86 . 1 1 9 9 ILE HG13 H 1 1.171 0.005 . . . . . . 9 ILE HG13 . 18649 1 87 . 1 1 9 9 ILE HG21 H 1 0.916 0.012 . . . . . . 9 ILE QG2 . 18649 1 88 . 1 1 9 9 ILE HG22 H 1 0.916 0.012 . . . . . . 9 ILE QG2 . 18649 1 89 . 1 1 9 9 ILE HG23 H 1 0.916 0.012 . . . . . . 9 ILE QG2 . 18649 1 90 . 1 1 9 9 ILE HD11 H 1 0.874 0.006 . . . . . . 9 ILE QD1 . 18649 1 91 . 1 1 9 9 ILE HD12 H 1 0.874 0.006 . . . . . . 9 ILE QD1 . 18649 1 92 . 1 1 9 9 ILE HD13 H 1 0.874 0.006 . . . . . . 9 ILE QD1 . 18649 1 93 . 1 1 9 9 ILE C C 13 177.757 0.000 . . . . . . 9 ILE C . 18649 1 94 . 1 1 9 9 ILE CA C 13 64.941 0.103 . . . . . . 9 ILE CA . 18649 1 95 . 1 1 9 9 ILE CB C 13 37.331 0.091 . . . . . . 9 ILE CB . 18649 1 96 . 1 1 9 9 ILE CG1 C 13 29.238 0.033 . . . . . . 9 ILE CG1 . 18649 1 97 . 1 1 9 9 ILE CG2 C 13 17.709 0.101 . . . . . . 9 ILE CG2 . 18649 1 98 . 1 1 9 9 ILE CD1 C 13 13.127 0.092 . . . . . . 9 ILE CD1 . 18649 1 99 . 1 1 9 9 ILE N N 15 121.516 0.060 . . . . . . 9 ILE N . 18649 1 100 . 1 1 10 10 GLY H H 1 8.350 0.011 . . . . . . 10 GLY H . 18649 1 101 . 1 1 10 10 GLY HA2 H 1 3.656 0.005 . . . . . . 10 GLY QA . 18649 1 102 . 1 1 10 10 GLY HA3 H 1 3.656 0.005 . . . . . . 10 GLY QA . 18649 1 103 . 1 1 10 10 GLY C C 13 174.618 0.000 . . . . . . 10 GLY C . 18649 1 104 . 1 1 10 10 GLY CA C 13 47.744 0.074 . . . . . . 10 GLY CA . 18649 1 105 . 1 1 10 10 GLY N N 15 108.932 0.139 . . . . . . 10 GLY N . 18649 1 106 . 1 1 11 11 LEU H H 1 8.223 0.008 . . . . . . 11 LEU H . 18649 1 107 . 1 1 11 11 LEU HA H 1 4.044 0.005 . . . . . . 11 LEU HA . 18649 1 108 . 1 1 11 11 LEU HB2 H 1 1.964 0.007 . . . . . . 11 LEU HB2 . 18649 1 109 . 1 1 11 11 LEU HB3 H 1 1.575 0.002 . . . . . . 11 LEU HB3 . 18649 1 110 . 1 1 11 11 LEU HG H 1 1.884 0.008 . . . . . . 11 LEU HG . 18649 1 111 . 1 1 11 11 LEU HD11 H 1 0.918 0.008 . . . . . . 11 LEU QD1 . 18649 1 112 . 1 1 11 11 LEU HD12 H 1 0.918 0.008 . . . . . . 11 LEU QD1 . 18649 1 113 . 1 1 11 11 LEU HD13 H 1 0.918 0.008 . . . . . . 11 LEU QD1 . 18649 1 114 . 1 1 11 11 LEU HD21 H 1 0.882 0.013 . . . . . . 11 LEU QD2 . 18649 1 115 . 1 1 11 11 LEU HD22 H 1 0.882 0.013 . . . . . . 11 LEU QD2 . 18649 1 116 . 1 1 11 11 LEU HD23 H 1 0.882 0.013 . . . . . . 11 LEU QD2 . 18649 1 117 . 1 1 11 11 LEU C C 13 178.368 0.000 . . . . . . 11 LEU C . 18649 1 118 . 1 1 11 11 LEU CA C 13 58.186 0.123 . . . . . . 11 LEU CA . 18649 1 119 . 1 1 11 11 LEU CB C 13 41.985 0.125 . . . . . . 11 LEU CB . 18649 1 120 . 1 1 11 11 LEU CG C 13 26.887 0.121 . . . . . . 11 LEU CG . 18649 1 121 . 1 1 11 11 LEU CD1 C 13 25.252 0.205 . . . . . . 11 LEU CD1 . 18649 1 122 . 1 1 11 11 LEU CD2 C 13 24.413 0.165 . . . . . . 11 LEU CD2 . 18649 1 123 . 1 1 11 11 LEU N N 15 123.445 0.077 . . . . . . 11 LEU N . 18649 1 124 . 1 1 12 12 MET H H 1 8.147 0.005 . . . . . . 12 MET H . 18649 1 125 . 1 1 12 12 MET HA H 1 4.064 0.013 . . . . . . 12 MET HA . 18649 1 126 . 1 1 12 12 MET HB2 H 1 2.336 0.006 . . . . . . 12 MET HB2 . 18649 1 127 . 1 1 12 12 MET HB3 H 1 2.050 0.006 . . . . . . 12 MET HB3 . 18649 1 128 . 1 1 12 12 MET HG2 H 1 2.807 0.007 . . . . . . 12 MET HG2 . 18649 1 129 . 1 1 12 12 MET HG3 H 1 2.403 0.006 . . . . . . 12 MET HG3 . 18649 1 130 . 1 1 12 12 MET HE1 H 1 1.944 0.011 . . . . . . 12 MET QE . 18649 1 131 . 1 1 12 12 MET HE2 H 1 1.944 0.011 . . . . . . 12 MET QE . 18649 1 132 . 1 1 12 12 MET HE3 H 1 1.944 0.011 . . . . . . 12 MET QE . 18649 1 133 . 1 1 12 12 MET C C 13 177.568 0.000 . . . . . . 12 MET C . 18649 1 134 . 1 1 12 12 MET CA C 13 59.321 0.072 . . . . . . 12 MET CA . 18649 1 135 . 1 1 12 12 MET CB C 13 32.672 0.169 . . . . . . 12 MET CB . 18649 1 136 . 1 1 12 12 MET CG C 13 32.994 0.050 . . . . . . 12 MET CG . 18649 1 137 . 1 1 12 12 MET CE C 13 17.262 0.100 . . . . . . 12 MET CE . 18649 1 138 . 1 1 12 12 MET N N 15 119.782 0.158 . . . . . . 12 MET N . 18649 1 139 . 1 1 13 13 VAL H H 1 8.544 0.003 . . . . . . 13 VAL H . 18649 1 140 . 1 1 13 13 VAL HA H 1 3.484 0.007 . . . . . . 13 VAL HA . 18649 1 141 . 1 1 13 13 VAL HB H 1 2.192 0.008 . . . . . . 13 VAL HB . 18649 1 142 . 1 1 13 13 VAL HG11 H 1 0.867 0.005 . . . . . . 13 VAL QG1 . 18649 1 143 . 1 1 13 13 VAL HG12 H 1 0.867 0.005 . . . . . . 13 VAL QG1 . 18649 1 144 . 1 1 13 13 VAL HG13 H 1 0.867 0.005 . . . . . . 13 VAL QG1 . 18649 1 145 . 1 1 13 13 VAL HG21 H 1 1.048 0.012 . . . . . . 13 VAL QG2 . 18649 1 146 . 1 1 13 13 VAL HG22 H 1 1.048 0.012 . . . . . . 13 VAL QG2 . 18649 1 147 . 1 1 13 13 VAL HG23 H 1 1.048 0.012 . . . . . . 13 VAL QG2 . 18649 1 148 . 1 1 13 13 VAL C C 13 177.871 0.000 . . . . . . 13 VAL C . 18649 1 149 . 1 1 13 13 VAL CA C 13 67.099 0.135 . . . . . . 13 VAL CA . 18649 1 150 . 1 1 13 13 VAL CB C 13 31.312 0.091 . . . . . . 13 VAL CB . 18649 1 151 . 1 1 13 13 VAL CG1 C 13 21.292 0.116 . . . . . . 13 VAL CG1 . 18649 1 152 . 1 1 13 13 VAL CG2 C 13 23.171 0.079 . . . . . . 13 VAL CG2 . 18649 1 153 . 1 1 13 13 VAL N N 15 120.255 0.081 . . . . . . 13 VAL N . 18649 1 154 . 1 1 14 14 GLY H H 1 8.672 0.006 . . . . . . 14 GLY H . 18649 1 155 . 1 1 14 14 GLY HA2 H 1 3.560 0.007 . . . . . . 14 GLY QA . 18649 1 156 . 1 1 14 14 GLY HA3 H 1 3.560 0.007 . . . . . . 14 GLY QA . 18649 1 157 . 1 1 14 14 GLY C C 13 174.850 0.000 . . . . . . 14 GLY C . 18649 1 158 . 1 1 14 14 GLY CA C 13 47.434 0.087 . . . . . . 14 GLY CA . 18649 1 159 . 1 1 14 14 GLY N N 15 108.612 0.051 . . . . . . 14 GLY N . 18649 1 160 . 1 1 15 15 GLY H H 1 8.693 0.002 . . . . . . 15 GLY H . 18649 1 161 . 1 1 15 15 GLY HA2 H 1 3.647 0.009 . . . . . . 15 GLY HA2 . 18649 1 162 . 1 1 15 15 GLY HA3 H 1 3.591 0.003 . . . . . . 15 GLY HA3 . 18649 1 163 . 1 1 15 15 GLY C C 13 174.325 0.000 . . . . . . 15 GLY C . 18649 1 164 . 1 1 15 15 GLY CA C 13 47.400 0.069 . . . . . . 15 GLY CA . 18649 1 165 . 1 1 15 15 GLY N N 15 110.823 0.040 . . . . . . 15 GLY N . 18649 1 166 . 1 1 16 16 VAL H H 1 8.155 0.005 . . . . . . 16 VAL H . 18649 1 167 . 1 1 16 16 VAL HA H 1 3.592 0.009 . . . . . . 16 VAL HA . 18649 1 168 . 1 1 16 16 VAL HB H 1 2.282 0.003 . . . . . . 16 VAL HB . 18649 1 169 . 1 1 16 16 VAL HG11 H 1 0.876 0.006 . . . . . . 16 VAL QG1 . 18649 1 170 . 1 1 16 16 VAL HG12 H 1 0.876 0.006 . . . . . . 16 VAL QG1 . 18649 1 171 . 1 1 16 16 VAL HG13 H 1 0.876 0.006 . . . . . . 16 VAL QG1 . 18649 1 172 . 1 1 16 16 VAL HG21 H 1 1.057 0.012 . . . . . . 16 VAL QG2 . 18649 1 173 . 1 1 16 16 VAL HG22 H 1 1.057 0.012 . . . . . . 16 VAL QG2 . 18649 1 174 . 1 1 16 16 VAL HG23 H 1 1.057 0.012 . . . . . . 16 VAL QG2 . 18649 1 175 . 1 1 16 16 VAL C C 13 178.881 0.000 . . . . . . 16 VAL C . 18649 1 176 . 1 1 16 16 VAL CA C 13 66.989 0.113 . . . . . . 16 VAL CA . 18649 1 177 . 1 1 16 16 VAL CB C 13 31.209 0.069 . . . . . . 16 VAL CB . 18649 1 178 . 1 1 16 16 VAL CG1 C 13 21.126 0.131 . . . . . . 16 VAL CG1 . 18649 1 179 . 1 1 16 16 VAL CG2 C 13 23.383 0.144 . . . . . . 16 VAL CG2 . 18649 1 180 . 1 1 16 16 VAL N N 15 123.298 0.091 . . . . . . 16 VAL N . 18649 1 181 . 1 1 17 17 VAL H H 1 8.466 0.006 . . . . . . 17 VAL H . 18649 1 182 . 1 1 17 17 VAL HA H 1 3.463 0.009 . . . . . . 17 VAL HA . 18649 1 183 . 1 1 17 17 VAL HB H 1 2.272 0.003 . . . . . . 17 VAL HB . 18649 1 184 . 1 1 17 17 VAL HG11 H 1 0.829 0.014 . . . . . . 17 VAL QG1 . 18649 1 185 . 1 1 17 17 VAL HG12 H 1 0.829 0.014 . . . . . . 17 VAL QG1 . 18649 1 186 . 1 1 17 17 VAL HG13 H 1 0.829 0.014 . . . . . . 17 VAL QG1 . 18649 1 187 . 1 1 17 17 VAL HG21 H 1 0.999 0.012 . . . . . . 17 VAL QG2 . 18649 1 188 . 1 1 17 17 VAL HG22 H 1 0.999 0.012 . . . . . . 17 VAL QG2 . 18649 1 189 . 1 1 17 17 VAL HG23 H 1 0.999 0.012 . . . . . . 17 VAL QG2 . 18649 1 190 . 1 1 17 17 VAL C C 13 177.136 0.000 . . . . . . 17 VAL C . 18649 1 191 . 1 1 17 17 VAL CA C 13 67.737 0.123 . . . . . . 17 VAL CA . 18649 1 192 . 1 1 17 17 VAL CB C 13 30.990 0.159 . . . . . . 17 VAL CB . 18649 1 193 . 1 1 17 17 VAL CG1 C 13 21.146 0.109 . . . . . . 17 VAL CG1 . 18649 1 194 . 1 1 17 17 VAL CG2 C 13 23.009 0.152 . . . . . . 17 VAL CG2 . 18649 1 195 . 1 1 17 17 VAL N N 15 124.816 0.076 . . . . . . 17 VAL N . 18649 1 196 . 1 1 18 18 ILE H H 1 8.413 0.005 . . . . . . 18 ILE H . 18649 1 197 . 1 1 18 18 ILE HA H 1 3.553 0.004 . . . . . . 18 ILE HA . 18649 1 198 . 1 1 18 18 ILE HB H 1 1.942 0.005 . . . . . . 18 ILE HB . 18649 1 199 . 1 1 18 18 ILE HG12 H 1 1.749 0.006 . . . . . . 18 ILE HG12 . 18649 1 200 . 1 1 18 18 ILE HG13 H 1 1.081 0.008 . . . . . . 18 ILE HG13 . 18649 1 201 . 1 1 18 18 ILE HG21 H 1 0.845 0.009 . . . . . . 18 ILE QG2 . 18649 1 202 . 1 1 18 18 ILE HG22 H 1 0.845 0.009 . . . . . . 18 ILE QG2 . 18649 1 203 . 1 1 18 18 ILE HG23 H 1 0.845 0.009 . . . . . . 18 ILE QG2 . 18649 1 204 . 1 1 18 18 ILE HD11 H 1 0.744 0.008 . . . . . . 18 ILE QD1 . 18649 1 205 . 1 1 18 18 ILE HD12 H 1 0.744 0.008 . . . . . . 18 ILE QD1 . 18649 1 206 . 1 1 18 18 ILE HD13 H 1 0.744 0.008 . . . . . . 18 ILE QD1 . 18649 1 207 . 1 1 18 18 ILE C C 13 177.287 0.000 . . . . . . 18 ILE C . 18649 1 208 . 1 1 18 18 ILE CA C 13 65.346 0.111 . . . . . . 18 ILE CA . 18649 1 209 . 1 1 18 18 ILE CB C 13 37.535 0.113 . . . . . . 18 ILE CB . 18649 1 210 . 1 1 18 18 ILE CG1 C 13 29.262 0.121 . . . . . . 18 ILE CG1 . 18649 1 211 . 1 1 18 18 ILE CG2 C 13 17.228 0.136 . . . . . . 18 ILE CG2 . 18649 1 212 . 1 1 18 18 ILE CD1 C 13 12.464 0.129 . . . . . . 18 ILE CD1 . 18649 1 213 . 1 1 18 18 ILE N N 15 121.213 0.070 . . . . . . 18 ILE N . 18649 1 214 . 1 1 19 19 ALA H H 1 8.532 0.003 . . . . . . 19 ALA H . 18649 1 215 . 1 1 19 19 ALA HA H 1 3.870 0.013 . . . . . . 19 ALA HA . 18649 1 216 . 1 1 19 19 ALA HB1 H 1 1.416 0.013 . . . . . . 19 ALA QB . 18649 1 217 . 1 1 19 19 ALA HB2 H 1 1.416 0.013 . . . . . . 19 ALA QB . 18649 1 218 . 1 1 19 19 ALA HB3 H 1 1.416 0.013 . . . . . . 19 ALA QB . 18649 1 219 . 1 1 19 19 ALA C C 13 178.529 0.000 . . . . . . 19 ALA C . 18649 1 220 . 1 1 19 19 ALA CA C 13 55.756 0.132 . . . . . . 19 ALA CA . 18649 1 221 . 1 1 19 19 ALA CB C 13 17.990 0.192 . . . . . . 19 ALA CB . 18649 1 222 . 1 1 19 19 ALA N N 15 123.108 0.077 . . . . . . 19 ALA N . 18649 1 223 . 1 1 20 20 THR H H 1 8.117 0.009 . . . . . . 20 THR H . 18649 1 224 . 1 1 20 20 THR HA H 1 3.663 0.006 . . . . . . 20 THR HA . 18649 1 225 . 1 1 20 20 THR HB H 1 4.314 0.005 . . . . . . 20 THR HB . 18649 1 226 . 1 1 20 20 THR HG21 H 1 1.099 0.005 . . . . . . 20 THR QG2 . 18649 1 227 . 1 1 20 20 THR HG22 H 1 1.099 0.005 . . . . . . 20 THR QG2 . 18649 1 228 . 1 1 20 20 THR HG23 H 1 1.099 0.005 . . . . . . 20 THR QG2 . 18649 1 229 . 1 1 20 20 THR C C 13 176.162 0.000 . . . . . . 20 THR C . 18649 1 230 . 1 1 20 20 THR CA C 13 68.387 0.091 . . . . . . 20 THR CA . 18649 1 231 . 1 1 20 20 THR CB C 13 67.691 0.094 . . . . . . 20 THR CB . 18649 1 232 . 1 1 20 20 THR CG2 C 13 21.210 0.104 . . . . . . 20 THR CG2 . 18649 1 233 . 1 1 20 20 THR N N 15 116.561 0.079 . . . . . . 20 THR N . 18649 1 234 . 1 1 21 21 VAL H H 1 8.206 0.003 . . . . . . 21 VAL H . 18649 1 235 . 1 1 21 21 VAL HA H 1 3.517 0.007 . . . . . . 21 VAL HA . 18649 1 236 . 1 1 21 21 VAL HB H 1 2.275 0.003 . . . . . . 21 VAL HB . 18649 1 237 . 1 1 21 21 VAL HG11 H 1 0.867 0.003 . . . . . . 21 VAL QG1 . 18649 1 238 . 1 1 21 21 VAL HG12 H 1 0.867 0.003 . . . . . . 21 VAL QG1 . 18649 1 239 . 1 1 21 21 VAL HG13 H 1 0.867 0.003 . . . . . . 21 VAL QG1 . 18649 1 240 . 1 1 21 21 VAL HG21 H 1 1.023 0.012 . . . . . . 21 VAL QG2 . 18649 1 241 . 1 1 21 21 VAL HG22 H 1 1.023 0.012 . . . . . . 21 VAL QG2 . 18649 1 242 . 1 1 21 21 VAL HG23 H 1 1.023 0.012 . . . . . . 21 VAL QG2 . 18649 1 243 . 1 1 21 21 VAL C C 13 178.929 0.000 . . . . . . 21 VAL C . 18649 1 244 . 1 1 21 21 VAL CA C 13 67.390 0.182 . . . . . . 21 VAL CA . 18649 1 245 . 1 1 21 21 VAL CB C 13 31.145 0.086 . . . . . . 21 VAL CB . 18649 1 246 . 1 1 21 21 VAL CG1 C 13 21.338 0.155 . . . . . . 21 VAL CG1 . 18649 1 247 . 1 1 21 21 VAL CG2 C 13 22.977 0.142 . . . . . . 21 VAL CG2 . 18649 1 248 . 1 1 21 21 VAL N N 15 122.793 0.081 . . . . . . 21 VAL N . 18649 1 249 . 1 1 22 22 ILE H H 1 8.402 0.004 . . . . . . 22 ILE H . 18649 1 250 . 1 1 22 22 ILE HA H 1 3.548 0.008 . . . . . . 22 ILE HA . 18649 1 251 . 1 1 22 22 ILE HB H 1 2.099 0.004 . . . . . . 22 ILE HB . 18649 1 252 . 1 1 22 22 ILE HG12 H 1 1.919 0.006 . . . . . . 22 ILE HG12 . 18649 1 253 . 1 1 22 22 ILE HG13 H 1 0.972 0.005 . . . . . . 22 ILE HG13 . 18649 1 254 . 1 1 22 22 ILE HG21 H 1 0.857 0.008 . . . . . . 22 ILE QG2 . 18649 1 255 . 1 1 22 22 ILE HG22 H 1 0.857 0.008 . . . . . . 22 ILE QG2 . 18649 1 256 . 1 1 22 22 ILE HG23 H 1 0.857 0.008 . . . . . . 22 ILE QG2 . 18649 1 257 . 1 1 22 22 ILE HD11 H 1 0.775 0.006 . . . . . . 22 ILE QD1 . 18649 1 258 . 1 1 22 22 ILE HD12 H 1 0.775 0.006 . . . . . . 22 ILE QD1 . 18649 1 259 . 1 1 22 22 ILE HD13 H 1 0.775 0.006 . . . . . . 22 ILE QD1 . 18649 1 260 . 1 1 22 22 ILE C C 13 176.916 0.000 . . . . . . 22 ILE C . 18649 1 261 . 1 1 22 22 ILE CA C 13 66.387 0.125 . . . . . . 22 ILE CA . 18649 1 262 . 1 1 22 22 ILE CB C 13 37.297 0.066 . . . . . . 22 ILE CB . 18649 1 263 . 1 1 22 22 ILE CG1 C 13 29.301 0.074 . . . . . . 22 ILE CG1 . 18649 1 264 . 1 1 22 22 ILE CG2 C 13 17.095 0.057 . . . . . . 22 ILE CG2 . 18649 1 265 . 1 1 22 22 ILE CD1 C 13 13.607 0.103 . . . . . . 22 ILE CD1 . 18649 1 266 . 1 1 22 22 ILE N N 15 124.529 0.066 . . . . . . 22 ILE N . 18649 1 267 . 1 1 23 23 VAL H H 1 8.420 0.003 . . . . . . 23 VAL H . 18649 1 268 . 1 1 23 23 VAL HA H 1 3.539 0.009 . . . . . . 23 VAL HA . 18649 1 269 . 1 1 23 23 VAL HB H 1 2.261 0.007 . . . . . . 23 VAL HB . 18649 1 270 . 1 1 23 23 VAL HG11 H 1 0.937 0.009 . . . . . . 23 VAL QG1 . 18649 1 271 . 1 1 23 23 VAL HG12 H 1 0.937 0.009 . . . . . . 23 VAL QG1 . 18649 1 272 . 1 1 23 23 VAL HG13 H 1 0.937 0.009 . . . . . . 23 VAL QG1 . 18649 1 273 . 1 1 23 23 VAL HG21 H 1 1.088 0.009 . . . . . . 23 VAL QG2 . 18649 1 274 . 1 1 23 23 VAL HG22 H 1 1.088 0.009 . . . . . . 23 VAL QG2 . 18649 1 275 . 1 1 23 23 VAL HG23 H 1 1.088 0.009 . . . . . . 23 VAL QG2 . 18649 1 276 . 1 1 23 23 VAL C C 13 177.502 0.000 . . . . . . 23 VAL C . 18649 1 277 . 1 1 23 23 VAL CA C 13 68.050 0.103 . . . . . . 23 VAL CA . 18649 1 278 . 1 1 23 23 VAL CB C 13 31.248 0.047 . . . . . . 23 VAL CB . 18649 1 279 . 1 1 23 23 VAL CG1 C 13 21.708 0.108 . . . . . . 23 VAL CG1 . 18649 1 280 . 1 1 23 23 VAL CG2 C 13 23.427 0.099 . . . . . . 23 VAL CG2 . 18649 1 281 . 1 1 23 23 VAL N N 15 121.558 0.054 . . . . . . 23 VAL N . 18649 1 282 . 1 1 24 24 ILE H H 1 8.570 0.005 . . . . . . 24 ILE H . 18649 1 283 . 1 1 24 24 ILE HA H 1 3.572 0.004 . . . . . . 24 ILE HA . 18649 1 284 . 1 1 24 24 ILE HB H 1 1.927 0.002 . . . . . . 24 ILE HB . 18649 1 285 . 1 1 24 24 ILE HG12 H 1 1.927 0.006 . . . . . . 24 ILE HG12 . 18649 1 286 . 1 1 24 24 ILE HG13 H 1 1.102 0.005 . . . . . . 24 ILE HG13 . 18649 1 287 . 1 1 24 24 ILE HG21 H 1 0.916 0.015 . . . . . . 24 ILE QG2 . 18649 1 288 . 1 1 24 24 ILE HG22 H 1 0.916 0.015 . . . . . . 24 ILE QG2 . 18649 1 289 . 1 1 24 24 ILE HG23 H 1 0.916 0.015 . . . . . . 24 ILE QG2 . 18649 1 290 . 1 1 24 24 ILE HD11 H 1 0.815 0.005 . . . . . . 24 ILE QD1 . 18649 1 291 . 1 1 24 24 ILE HD12 H 1 0.815 0.005 . . . . . . 24 ILE QD1 . 18649 1 292 . 1 1 24 24 ILE HD13 H 1 0.815 0.005 . . . . . . 24 ILE QD1 . 18649 1 293 . 1 1 24 24 ILE C C 13 177.511 0.000 . . . . . . 24 ILE C . 18649 1 294 . 1 1 24 24 ILE CA C 13 65.830 0.100 . . . . . . 24 ILE CA . 18649 1 295 . 1 1 24 24 ILE CB C 13 37.270 0.057 . . . . . . 24 ILE CB . 18649 1 296 . 1 1 24 24 ILE CG1 C 13 29.288 0.138 . . . . . . 24 ILE CG1 . 18649 1 297 . 1 1 24 24 ILE CG2 C 13 17.495 0.165 . . . . . . 24 ILE CG2 . 18649 1 298 . 1 1 24 24 ILE CD1 C 13 13.677 0.101 . . . . . . 24 ILE CD1 . 18649 1 299 . 1 1 24 24 ILE N N 15 120.299 0.078 . . . . . . 24 ILE N . 18649 1 300 . 1 1 25 25 THR H H 1 8.137 0.004 . . . . . . 25 THR H . 18649 1 301 . 1 1 25 25 THR HA H 1 3.690 0.008 . . . . . . 25 THR HA . 18649 1 302 . 1 1 25 25 THR HB H 1 4.319 0.007 . . . . . . 25 THR HB . 18649 1 303 . 1 1 25 25 THR HG21 H 1 1.139 0.007 . . . . . . 25 THR QG2 . 18649 1 304 . 1 1 25 25 THR HG22 H 1 1.139 0.007 . . . . . . 25 THR QG2 . 18649 1 305 . 1 1 25 25 THR HG23 H 1 1.139 0.007 . . . . . . 25 THR QG2 . 18649 1 306 . 1 1 25 25 THR C C 13 176.067 0.000 . . . . . . 25 THR C . 18649 1 307 . 1 1 25 25 THR CA C 13 68.555 0.088 . . . . . . 25 THR CA . 18649 1 308 . 1 1 25 25 THR CB C 13 67.575 0.120 . . . . . . 25 THR CB . 18649 1 309 . 1 1 25 25 THR CG2 C 13 21.513 0.169 . . . . . . 25 THR CG2 . 18649 1 310 . 1 1 25 25 THR N N 15 119.146 0.071 . . . . . . 25 THR N . 18649 1 311 . 1 1 26 26 LEU H H 1 8.309 0.004 . . . . . . 26 LEU H . 18649 1 312 . 1 1 26 26 LEU HA H 1 4.012 0.006 . . . . . . 26 LEU HA . 18649 1 313 . 1 1 26 26 LEU HB2 H 1 2.035 0.005 . . . . . . 26 LEU HB2 . 18649 1 314 . 1 1 26 26 LEU HB3 H 1 1.503 0.008 . . . . . . 26 LEU HB3 . 18649 1 315 . 1 1 26 26 LEU HG H 1 1.963 0.005 . . . . . . 26 LEU HG . 18649 1 316 . 1 1 26 26 LEU HD11 H 1 0.886 0.010 . . . . . . 26 LEU QD1 . 18649 1 317 . 1 1 26 26 LEU HD12 H 1 0.886 0.010 . . . . . . 26 LEU QD1 . 18649 1 318 . 1 1 26 26 LEU HD13 H 1 0.886 0.010 . . . . . . 26 LEU QD1 . 18649 1 319 . 1 1 26 26 LEU HD21 H 1 0.859 0.004 . . . . . . 26 LEU QD2 . 18649 1 320 . 1 1 26 26 LEU HD22 H 1 0.859 0.004 . . . . . . 26 LEU QD2 . 18649 1 321 . 1 1 26 26 LEU HD23 H 1 0.859 0.004 . . . . . . 26 LEU QD2 . 18649 1 322 . 1 1 26 26 LEU C C 13 179.051 0.000 . . . . . . 26 LEU C . 18649 1 323 . 1 1 26 26 LEU CA C 13 58.242 0.064 . . . . . . 26 LEU CA . 18649 1 324 . 1 1 26 26 LEU CB C 13 41.834 0.121 . . . . . . 26 LEU CB . 18649 1 325 . 1 1 26 26 LEU CG C 13 26.862 0.164 . . . . . . 26 LEU CG . 18649 1 326 . 1 1 26 26 LEU CD1 C 13 25.426 0.145 . . . . . . 26 LEU CD1 . 18649 1 327 . 1 1 26 26 LEU CD2 C 13 23.459 0.099 . . . . . . 26 LEU CD2 . 18649 1 328 . 1 1 26 26 LEU N N 15 122.563 0.062 . . . . . . 26 LEU N . 18649 1 329 . 1 1 27 27 VAL H H 1 8.330 0.003 . . . . . . 27 VAL H . 18649 1 330 . 1 1 27 27 VAL HA H 1 3.627 0.010 . . . . . . 27 VAL HA . 18649 1 331 . 1 1 27 27 VAL HB H 1 2.305 0.004 . . . . . . 27 VAL HB . 18649 1 332 . 1 1 27 27 VAL HG11 H 1 0.951 0.009 . . . . . . 27 VAL QG1 . 18649 1 333 . 1 1 27 27 VAL HG12 H 1 0.951 0.009 . . . . . . 27 VAL QG1 . 18649 1 334 . 1 1 27 27 VAL HG13 H 1 0.951 0.009 . . . . . . 27 VAL QG1 . 18649 1 335 . 1 1 27 27 VAL HG21 H 1 1.091 0.004 . . . . . . 27 VAL QG2 . 18649 1 336 . 1 1 27 27 VAL HG22 H 1 1.091 0.004 . . . . . . 27 VAL QG2 . 18649 1 337 . 1 1 27 27 VAL HG23 H 1 1.091 0.004 . . . . . . 27 VAL QG2 . 18649 1 338 . 1 1 27 27 VAL C C 13 178.222 0.000 . . . . . . 27 VAL C . 18649 1 339 . 1 1 27 27 VAL CA C 13 66.517 0.099 . . . . . . 27 VAL CA . 18649 1 340 . 1 1 27 27 VAL CB C 13 31.432 0.121 . . . . . . 27 VAL CB . 18649 1 341 . 1 1 27 27 VAL CG1 C 13 21.595 0.066 . . . . . . 27 VAL CG1 . 18649 1 342 . 1 1 27 27 VAL CG2 C 13 23.130 0.098 . . . . . . 27 VAL CG2 . 18649 1 343 . 1 1 27 27 VAL N N 15 120.127 0.108 . . . . . . 27 VAL N . 18649 1 344 . 1 1 28 28 MET H H 1 8.345 0.003 . . . . . . 28 MET H . 18649 1 345 . 1 1 28 28 MET HA H 1 4.273 0.006 . . . . . . 28 MET HA . 18649 1 346 . 1 1 28 28 MET HB2 H 1 2.329 0.008 . . . . . . 28 MET HB2 . 18649 1 347 . 1 1 28 28 MET HB3 H 1 2.071 0.008 . . . . . . 28 MET HB3 . 18649 1 348 . 1 1 28 28 MET HG2 H 1 2.711 0.005 . . . . . . 28 MET QG . 18649 1 349 . 1 1 28 28 MET HG3 H 1 2.711 0.005 . . . . . . 28 MET QG . 18649 1 350 . 1 1 28 28 MET HE1 H 1 2.087 0.009 . . . . . . 28 MET QE . 18649 1 351 . 1 1 28 28 MET HE2 H 1 2.087 0.009 . . . . . . 28 MET QE . 18649 1 352 . 1 1 28 28 MET HE3 H 1 2.087 0.009 . . . . . . 28 MET QE . 18649 1 353 . 1 1 28 28 MET C C 13 178.449 0.000 . . . . . . 28 MET C . 18649 1 354 . 1 1 28 28 MET CA C 13 57.703 0.110 . . . . . . 28 MET CA . 18649 1 355 . 1 1 28 28 MET CB C 13 32.033 0.088 . . . . . . 28 MET CB . 18649 1 356 . 1 1 28 28 MET CG C 13 32.993 0.054 . . . . . . 28 MET CG . 18649 1 357 . 1 1 28 28 MET CE C 13 17.274 0.203 . . . . . . 28 MET CE . 18649 1 358 . 1 1 28 28 MET N N 15 119.574 0.069 . . . . . . 28 MET N . 18649 1 359 . 1 1 29 29 LEU H H 1 8.187 0.004 . . . . . . 29 LEU H . 18649 1 360 . 1 1 29 29 LEU HA H 1 4.263 0.004 . . . . . . 29 LEU HA . 18649 1 361 . 1 1 29 29 LEU HB2 H 1 1.936 0.004 . . . . . . 29 LEU HB2 . 18649 1 362 . 1 1 29 29 LEU HB3 H 1 1.592 0.002 . . . . . . 29 LEU HB3 . 18649 1 363 . 1 1 29 29 LEU HG H 1 1.962 0.004 . . . . . . 29 LEU HG . 18649 1 364 . 1 1 29 29 LEU HD11 H 1 0.901 0.009 . . . . . . 29 LEU QD1 . 18649 1 365 . 1 1 29 29 LEU HD12 H 1 0.901 0.009 . . . . . . 29 LEU QD1 . 18649 1 366 . 1 1 29 29 LEU HD13 H 1 0.901 0.009 . . . . . . 29 LEU QD1 . 18649 1 367 . 1 1 29 29 LEU HD21 H 1 0.898 0.005 . . . . . . 29 LEU QD2 . 18649 1 368 . 1 1 29 29 LEU HD22 H 1 0.898 0.005 . . . . . . 29 LEU QD2 . 18649 1 369 . 1 1 29 29 LEU HD23 H 1 0.898 0.005 . . . . . . 29 LEU QD2 . 18649 1 370 . 1 1 29 29 LEU C C 13 178.103 0.000 . . . . . . 29 LEU C . 18649 1 371 . 1 1 29 29 LEU CA C 13 56.359 0.140 . . . . . . 29 LEU CA . 18649 1 372 . 1 1 29 29 LEU CB C 13 42.366 0.161 . . . . . . 29 LEU CB . 18649 1 373 . 1 1 29 29 LEU CG C 13 26.696 0.137 . . . . . . 29 LEU CG . 18649 1 374 . 1 1 29 29 LEU CD1 C 13 25.870 0.094 . . . . . . 29 LEU CD1 . 18649 1 375 . 1 1 29 29 LEU CD2 C 13 23.318 0.030 . . . . . . 29 LEU CD2 . 18649 1 376 . 1 1 29 29 LEU N N 15 120.131 0.064 . . . . . . 29 LEU N . 18649 1 377 . 1 1 30 30 LYS H H 1 7.760 0.004 . . . . . . 30 LYS H . 18649 1 378 . 1 1 30 30 LYS HA H 1 4.314 0.004 . . . . . . 30 LYS HA . 18649 1 379 . 1 1 30 30 LYS HB2 H 1 1.952 0.003 . . . . . . 30 LYS QB . 18649 1 380 . 1 1 30 30 LYS HB3 H 1 1.952 0.003 . . . . . . 30 LYS QB . 18649 1 381 . 1 1 30 30 LYS HG2 H 1 1.541 0.004 . . . . . . 30 LYS QG . 18649 1 382 . 1 1 30 30 LYS HG3 H 1 1.541 0.004 . . . . . . 30 LYS QG . 18649 1 383 . 1 1 30 30 LYS HD2 H 1 1.719 0.003 . . . . . . 30 LYS QD . 18649 1 384 . 1 1 30 30 LYS HD3 H 1 1.719 0.003 . . . . . . 30 LYS QD . 18649 1 385 . 1 1 30 30 LYS HE2 H 1 2.997 0.003 . . . . . . 30 LYS QE . 18649 1 386 . 1 1 30 30 LYS HE3 H 1 2.997 0.003 . . . . . . 30 LYS QE . 18649 1 387 . 1 1 30 30 LYS C C 13 176.630 0.000 . . . . . . 30 LYS C . 18649 1 388 . 1 1 30 30 LYS CA C 13 56.261 0.063 . . . . . . 30 LYS CA . 18649 1 389 . 1 1 30 30 LYS CB C 13 32.581 0.064 . . . . . . 30 LYS CB . 18649 1 390 . 1 1 30 30 LYS CG C 13 24.591 0.092 . . . . . . 30 LYS CG . 18649 1 391 . 1 1 30 30 LYS CD C 13 28.666 0.103 . . . . . . 30 LYS CD . 18649 1 392 . 1 1 30 30 LYS CE C 13 41.890 0.130 . . . . . . 30 LYS CE . 18649 1 393 . 1 1 30 30 LYS N N 15 120.359 0.082 . . . . . . 30 LYS N . 18649 1 394 . 1 1 31 31 LYS H H 1 7.916 0.005 . . . . . . 31 LYS H . 18649 1 395 . 1 1 31 31 LYS HA H 1 4.314 0.005 . . . . . . 31 LYS HA . 18649 1 396 . 1 1 31 31 LYS HB2 H 1 1.954 0.003 . . . . . . 31 LYS QB . 18649 1 397 . 1 1 31 31 LYS HB3 H 1 1.954 0.003 . . . . . . 31 LYS QB . 18649 1 398 . 1 1 31 31 LYS HG2 H 1 1.709 0.004 . . . . . . 31 LYS HG2 . 18649 1 399 . 1 1 31 31 LYS HG3 H 1 1.537 0.004 . . . . . . 31 LYS HG3 . 18649 1 400 . 1 1 31 31 LYS HD2 H 1 1.857 0.009 . . . . . . 31 LYS QD . 18649 1 401 . 1 1 31 31 LYS HD3 H 1 1.857 0.009 . . . . . . 31 LYS QD . 18649 1 402 . 1 1 31 31 LYS HE2 H 1 2.984 0.008 . . . . . . 31 LYS QE . 18649 1 403 . 1 1 31 31 LYS HE3 H 1 2.984 0.008 . . . . . . 31 LYS QE . 18649 1 404 . 1 1 31 31 LYS C C 13 175.436 0.000 . . . . . . 31 LYS C . 18649 1 405 . 1 1 31 31 LYS CA C 13 56.486 0.123 . . . . . . 31 LYS CA . 18649 1 406 . 1 1 31 31 LYS CB C 13 32.701 0.077 . . . . . . 31 LYS CB . 18649 1 407 . 1 1 31 31 LYS CG C 13 24.624 0.144 . . . . . . 31 LYS CG . 18649 1 408 . 1 1 31 31 LYS CD C 13 29.017 0.178 . . . . . . 31 LYS CD . 18649 1 409 . 1 1 31 31 LYS CE C 13 41.881 0.151 . . . . . . 31 LYS CE . 18649 1 410 . 1 1 31 31 LYS N N 15 123.768 0.093 . . . . . . 31 LYS N . 18649 1 411 . 1 1 32 32 LYS H H 1 7.762 0.016 . . . . . . 32 LYS H . 18649 1 412 . 1 1 32 32 LYS HA H 1 4.138 0.004 . . . . . . 32 LYS HA . 18649 1 413 . 1 1 32 32 LYS HB2 H 1 1.843 0.003 . . . . . . 32 LYS HB2 . 18649 1 414 . 1 1 32 32 LYS HB3 H 1 1.758 0.004 . . . . . . 32 LYS HB3 . 18649 1 415 . 1 1 32 32 LYS HG2 H 1 1.463 0.004 . . . . . . 32 LYS QG . 18649 1 416 . 1 1 32 32 LYS HG3 H 1 1.463 0.004 . . . . . . 32 LYS QG . 18649 1 417 . 1 1 32 32 LYS HD2 H 1 1.709 0.004 . . . . . . 32 LYS QD . 18649 1 418 . 1 1 32 32 LYS HD3 H 1 1.709 0.004 . . . . . . 32 LYS QD . 18649 1 419 . 1 1 32 32 LYS HE2 H 1 3.016 0.003 . . . . . . 32 LYS QE . 18649 1 420 . 1 1 32 32 LYS HE3 H 1 3.016 0.003 . . . . . . 32 LYS QE . 18649 1 421 . 1 1 32 32 LYS CA C 13 57.704 0.102 . . . . . . 32 LYS CA . 18649 1 422 . 1 1 32 32 LYS CB C 13 33.554 0.097 . . . . . . 32 LYS CB . 18649 1 423 . 1 1 32 32 LYS CG C 13 24.688 0.055 . . . . . . 32 LYS CG . 18649 1 424 . 1 1 32 32 LYS CD C 13 28.864 0.089 . . . . . . 32 LYS CD . 18649 1 425 . 1 1 32 32 LYS CE C 13 42.109 0.086 . . . . . . 32 LYS CE . 18649 1 426 . 1 1 32 32 LYS N N 15 129.909 0.069 . . . . . . 32 LYS N . 18649 1 stop_ save_