################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5390 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5390 1 . . 2 $sample_2 . 5390 1 . . 3 $sample_3 . 5390 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 5 5 SER N N 15 116.95 0.05 . 1 . . . . 1 . . . 5390 1 2 . 1 1 5 5 SER H H 1 8.329 0.005 . 1 . . . . 1 . . . 5390 1 3 . 1 1 5 5 SER CA C 13 59.465 0.05 . 1 . . . . 1 . . . 5390 1 4 . 1 1 5 5 SER HA H 1 4.4 0.005 . 1 . . . . 1 . . . 5390 1 5 . 1 1 5 5 SER CB C 13 64.412 0.05 . 1 . . . . 1 . . . 5390 1 6 . 1 1 5 5 SER HB2 H 1 3.896 0.005 . 1 . . . . 1 . . . 5390 1 7 . 1 1 6 6 GLU N N 15 122.85 0.05 . 1 . . . . 2 . . . 5390 1 8 . 1 1 6 6 GLU H H 1 8.421 0.005 . 1 . . . . 2 . . . 5390 1 9 . 1 1 6 6 GLU CA C 13 58.379 0.05 . 1 . . . . 2 . . . 5390 1 10 . 1 1 6 6 GLU HA H 1 4.183 0.005 . 1 . . . . 2 . . . 5390 1 11 . 1 1 6 6 GLU CB C 13 30.339 0.05 . 1 . . . . 2 . . . 5390 1 12 . 1 1 6 6 GLU CG C 13 37.244 0.05 . 1 . . . . 2 . . . 5390 1 13 . 1 1 6 6 GLU HB2 H 1 2.059 0.005 . 1 . . . . 2 . . . 5390 1 14 . 1 1 6 6 GLU HG2 H 1 2.323 0.005 . 1 . . . . 2 . . . 5390 1 15 . 1 1 7 7 ALA N N 15 122.1 0.05 . 1 . . . . 3 . . . 5390 1 16 . 1 1 7 7 ALA H H 1 8.12 0.005 . 1 . . . . 3 . . . 5390 1 17 . 1 1 7 7 ALA CA C 13 55.604 0.05 . 1 . . . . 3 . . . 5390 1 18 . 1 1 7 7 ALA HA H 1 4.044 0.005 . 1 . . . . 3 . . . 5390 1 19 . 1 1 7 7 ALA CB C 13 19.11 0.05 . 1 . . . . 3 . . . 5390 1 20 . 1 1 7 7 ALA HB1 H 1 1.396 0.005 . 1 . . . . 3 . . . 5390 1 21 . 1 1 7 7 ALA HB2 H 1 1.396 0.005 . 1 . . . . 3 . . . 5390 1 22 . 1 1 7 7 ALA HB3 H 1 1.396 0.005 . 1 . . . . 3 . . . 5390 1 23 . 1 1 8 8 LEU N N 15 114.99 0.05 . 1 . . . . 4 . . . 5390 1 24 . 1 1 8 8 LEU H H 1 7.858 0.005 . 1 . . . . 4 . . . 5390 1 25 . 1 1 8 8 LEU CA C 13 57.315 0.05 . 1 . . . . 4 . . . 5390 1 26 . 1 1 8 8 LEU HA H 1 4.01 0.005 . 1 . . . . 4 . . . 5390 1 27 . 1 1 8 8 LEU CB C 13 41.946 0.05 . 1 . . . . 4 . . . 5390 1 28 . 1 1 8 8 LEU CG C 13 27.36 0.05 . 1 . . . . 4 . . . 5390 1 29 . 1 1 8 8 LEU HG H 1 1.649 0.005 . 1 . . . . 4 . . . 5390 1 30 . 1 1 8 8 LEU CD1 C 13 25.433 0.05 . 2 . . . . 4 . . . 5390 1 31 . 1 1 8 8 LEU HD11 H 1 0.785 0.005 . 2 . . . . 4 . . . 5390 1 32 . 1 1 8 8 LEU HD12 H 1 0.785 0.005 . 2 . . . . 4 . . . 5390 1 33 . 1 1 8 8 LEU HD13 H 1 0.785 0.005 . 2 . . . . 4 . . . 5390 1 34 . 1 1 8 8 LEU CD2 C 13 24.301 0.05 . 2 . . . . 4 . . . 5390 1 35 . 1 1 8 8 LEU HD21 H 1 0.712 0.005 . 2 . . . . 4 . . . 5390 1 36 . 1 1 8 8 LEU HD22 H 1 0.712 0.005 . 2 . . . . 4 . . . 5390 1 37 . 1 1 8 8 LEU HD23 H 1 0.712 0.005 . 2 . . . . 4 . . . 5390 1 38 . 1 1 8 8 LEU HB2 H 1 1.592 0.005 . 1 . . . . 4 . . . 5390 1 39 . 1 1 9 9 LYS N N 15 116.44 0.05 . 1 . . . . 5 . . . 5390 1 40 . 1 1 9 9 LYS H H 1 7.516 0.005 . 1 . . . . 5 . . . 5390 1 41 . 1 1 9 9 LYS CA C 13 59.145 0.05 . 1 . . . . 5 . . . 5390 1 42 . 1 1 9 9 LYS HA H 1 3.942 0.005 . 1 . . . . 5 . . . 5390 1 43 . 1 1 9 9 LYS CB C 13 32.664 0.05 . 1 . . . . 5 . . . 5390 1 44 . 1 1 9 9 LYS CG C 13 25.977 0.05 . 1 . . . . 5 . . . 5390 1 45 . 1 1 9 9 LYS HG2 H 1 1.575 0.005 . 2 . . . . 5 . . . 5390 1 46 . 1 1 9 9 LYS HG3 H 1 1.433 0.005 . 2 . . . . 5 . . . 5390 1 47 . 1 1 9 9 LYS CD C 13 30.064 0.05 . 1 . . . . 5 . . . 5390 1 48 . 1 1 9 9 LYS CE C 13 40.089 0.05 . 1 . . . . 5 . . . 5390 1 49 . 1 1 9 9 LYS HB2 H 1 1.913 0.005 . 1 . . . . 5 . . . 5390 1 50 . 1 1 9 9 LYS HD2 H 1 1.712 0.005 . 1 . . . . 5 . . . 5390 1 51 . 1 1 9 9 LYS HE2 H 1 2.952 0.005 . 1 . . . . 5 . . . 5390 1 52 . 1 1 10 10 ILE N N 15 118.44 0.05 . 1 . . . . 6 . . . 5390 1 53 . 1 1 10 10 ILE H H 1 7.641 0.005 . 1 . . . . 6 . . . 5390 1 54 . 1 1 10 10 ILE CA C 13 64.193 0.05 . 1 . . . . 6 . . . 5390 1 55 . 1 1 10 10 ILE HA H 1 3.879 0.005 . 1 . . . . 6 . . . 5390 1 56 . 1 1 10 10 ILE CB C 13 38.43 0.05 . 1 . . . . 6 . . . 5390 1 57 . 1 1 10 10 ILE HB H 1 1.929 0.005 . 1 . . . . 6 . . . 5390 1 58 . 1 1 10 10 ILE CG1 C 13 28.972 0.05 . 1 . . . . 6 . . . 5390 1 59 . 1 1 10 10 ILE HG12 H 1 1.564 0.005 . 2 . . . . 6 . . . 5390 1 60 . 1 1 10 10 ILE HG13 H 1 1.246 0.005 . 2 . . . . 6 . . . 5390 1 61 . 1 1 10 10 ILE CG2 C 13 18.036 0.05 . 1 . . . . 6 . . . 5390 1 62 . 1 1 10 10 ILE HG21 H 1 0.843 0.005 . 1 . . . . 6 . . . 5390 1 63 . 1 1 10 10 ILE HG22 H 1 0.843 0.005 . 1 . . . . 6 . . . 5390 1 64 . 1 1 10 10 ILE HG23 H 1 0.843 0.005 . 1 . . . . 6 . . . 5390 1 65 . 1 1 10 10 ILE CD1 C 13 14.306 0.05 . 1 . . . . 6 . . . 5390 1 66 . 1 1 10 10 ILE HD11 H 1 0.816 0.005 . 1 . . . . 6 . . . 5390 1 67 . 1 1 10 10 ILE HD12 H 1 0.816 0.005 . 1 . . . . 6 . . . 5390 1 68 . 1 1 10 10 ILE HD13 H 1 0.816 0.005 . 1 . . . . 6 . . . 5390 1 69 . 1 1 11 11 LEU N N 15 115.9 0.05 . 1 . . . . 7 . . . 5390 1 70 . 1 1 11 11 LEU H H 1 7.524 0.005 . 1 . . . . 7 . . . 5390 1 71 . 1 1 11 11 LEU CA C 13 56.371 0.05 . 1 . . . . 7 . . . 5390 1 72 . 1 1 11 11 LEU HA H 1 4.068 0.005 . 1 . . . . 7 . . . 5390 1 73 . 1 1 11 11 LEU CB C 13 41.925 0.05 . 1 . . . . 7 . . . 5390 1 74 . 1 1 11 11 LEU CD1 C 13 26.451 0.05 . 2 . . . . 7 . . . 5390 1 75 . 1 1 11 11 LEU HD11 H 1 0.842 0.005 . 2 . . . . 7 . . . 5390 1 76 . 1 1 11 11 LEU HD12 H 1 0.842 0.005 . 2 . . . . 7 . . . 5390 1 77 . 1 1 11 11 LEU HD13 H 1 0.842 0.005 . 2 . . . . 7 . . . 5390 1 78 . 1 1 11 11 LEU CD2 C 13 23.846 0.05 . 2 . . . . 7 . . . 5390 1 79 . 1 1 11 11 LEU HD21 H 1 0.743 0.005 . 2 . . . . 7 . . . 5390 1 80 . 1 1 11 11 LEU HD22 H 1 0.743 0.005 . 2 . . . . 7 . . . 5390 1 81 . 1 1 11 11 LEU HD23 H 1 0.743 0.005 . 2 . . . . 7 . . . 5390 1 82 . 1 1 11 11 LEU HB2 H 1 1.93 0.005 . 1 . . . . 7 . . . 5390 1 83 . 1 1 12 12 ASN N N 15 112.82 0.05 . 1 . . . . 8 . . . 5390 1 84 . 1 1 12 12 ASN H H 1 7.38 0.005 . 1 . . . . 8 . . . 5390 1 85 . 1 1 12 12 ASN CA C 13 52.292 0.05 . 1 . . . . 8 . . . 5390 1 86 . 1 1 12 12 ASN HA H 1 4.969 0.005 . 1 . . . . 8 . . . 5390 1 87 . 1 1 12 12 ASN CB C 13 39.001 0.05 . 1 . . . . 8 . . . 5390 1 88 . 1 1 12 12 ASN HB2 H 1 2.485 0.005 . 2 . . . . 8 . . . 5390 1 89 . 1 1 12 12 ASN HB3 H 1 2.962 0.005 . 2 . . . . 8 . . . 5390 1 90 . 1 1 12 12 ASN ND2 N 15 109.93 0.05 . 1 . . . . 8 . . . 5390 1 91 . 1 1 12 12 ASN HD21 H 1 7.424 0.005 . 2 . . . . 8 . . . 5390 1 92 . 1 1 12 12 ASN HD22 H 1 7.141 0.005 . 2 . . . . 8 . . . 5390 1 93 . 1 1 13 13 ASN N N 15 119.5 0.05 . 1 . . . . 9 . . . 5390 1 94 . 1 1 13 13 ASN H H 1 7.737 0.005 . 1 . . . . 9 . . . 5390 1 95 . 1 1 13 13 ASN CA C 13 52.982 0.05 . 1 . . . . 9 . . . 5390 1 96 . 1 1 13 13 ASN HA H 1 4.827 0.005 . 1 . . . . 9 . . . 5390 1 97 . 1 1 13 13 ASN CB C 13 40.555 0.05 . 1 . . . . 9 . . . 5390 1 98 . 1 1 13 13 ASN HB2 H 1 2.72 0.005 . 2 . . . . 9 . . . 5390 1 99 . 1 1 13 13 ASN HB3 H 1 2.992 0.005 . 2 . . . . 9 . . . 5390 1 100 . 1 1 13 13 ASN ND2 N 15 113.61 0.05 . 1 . . . . 9 . . . 5390 1 101 . 1 1 13 13 ASN HD21 H 1 7.694 0.005 . 2 . . . . 9 . . . 5390 1 102 . 1 1 13 13 ASN HD22 H 1 6.932 0.005 . 2 . . . . 9 . . . 5390 1 103 . 1 1 14 14 ILE N N 15 120.61 0.05 . 1 . . . . 10 . . . 5390 1 104 . 1 1 14 14 ILE H H 1 8.044 0.005 . 1 . . . . 10 . . . 5390 1 105 . 1 1 14 14 ILE CA C 13 64.544 0.05 . 1 . . . . 10 . . . 5390 1 106 . 1 1 14 14 ILE HA H 1 3.994 0.005 . 1 . . . . 10 . . . 5390 1 107 . 1 1 14 14 ILE CB C 13 39.553 0.05 . 1 . . . . 10 . . . 5390 1 108 . 1 1 14 14 ILE HB H 1 1.915 0.005 . 1 . . . . 10 . . . 5390 1 109 . 1 1 14 14 ILE CG1 C 13 30.761 0.05 . 1 . . . . 10 . . . 5390 1 110 . 1 1 14 14 ILE HG12 H 1 1.392 0.005 . 2 . . . . 10 . . . 5390 1 111 . 1 1 14 14 ILE HG13 H 1 1.437 0.005 . 2 . . . . 10 . . . 5390 1 112 . 1 1 14 14 ILE CG2 C 13 18.097 0.05 . 1 . . . . 10 . . . 5390 1 113 . 1 1 14 14 ILE HG21 H 1 0.992 0.005 . 1 . . . . 10 . . . 5390 1 114 . 1 1 14 14 ILE HG22 H 1 0.992 0.005 . 1 . . . . 10 . . . 5390 1 115 . 1 1 14 14 ILE HG23 H 1 0.992 0.005 . 1 . . . . 10 . . . 5390 1 116 . 1 1 14 14 ILE CD1 C 13 14.967 0.05 . 1 . . . . 10 . . . 5390 1 117 . 1 1 14 14 ILE HD11 H 1 0.986 0.005 . 1 . . . . 10 . . . 5390 1 118 . 1 1 14 14 ILE HD12 H 1 0.986 0.005 . 1 . . . . 10 . . . 5390 1 119 . 1 1 14 14 ILE HD13 H 1 0.986 0.005 . 1 . . . . 10 . . . 5390 1 120 . 1 1 15 15 ARG N N 15 121.49 0.05 . 1 . . . . 11 . . . 5390 1 121 . 1 1 15 15 ARG H H 1 7.942 0.005 . 1 . . . . 11 . . . 5390 1 122 . 1 1 15 15 ARG CA C 13 60.004 0.05 . 1 . . . . 11 . . . 5390 1 123 . 1 1 15 15 ARG HA H 1 4.131 0.005 . 1 . . . . 11 . . . 5390 1 124 . 1 1 15 15 ARG CB C 13 29.707 0.05 . 1 . . . . 11 . . . 5390 1 125 . 1 1 15 15 ARG CG C 13 28.207 0.05 . 1 . . . . 11 . . . 5390 1 126 . 1 1 15 15 ARG CD C 13 44.034 0.05 . 1 . . . . 11 . . . 5390 1 127 . 1 1 15 15 ARG HB2 H 1 1.975 0.005 . 1 . . . . 11 . . . 5390 1 128 . 1 1 15 15 ARG HG2 H 1 1.682 0.005 . 1 . . . . 11 . . . 5390 1 129 . 1 1 15 15 ARG HD2 H 1 3.268 0.005 . 1 . . . . 11 . . . 5390 1 130 . 1 1 16 16 THR N N 15 117.09 0.05 . 1 . . . . 12 . . . 5390 1 131 . 1 1 16 16 THR H H 1 7.752 0.005 . 1 . . . . 12 . . . 5390 1 132 . 1 1 16 16 THR CA C 13 66.039 0.05 . 1 . . . . 12 . . . 5390 1 133 . 1 1 16 16 THR HA H 1 4.065 0.005 . 1 . . . . 12 . . . 5390 1 134 . 1 1 16 16 THR CB C 13 69.069 0.05 . 1 . . . . 12 . . . 5390 1 135 . 1 1 16 16 THR HB H 1 4.243 0.005 . 1 . . . . 12 . . . 5390 1 136 . 1 1 16 16 THR CG2 C 13 23.29 0.05 . 1 . . . . 12 . . . 5390 1 137 . 1 1 16 16 THR HG21 H 1 1.267 0.005 . 1 . . . . 12 . . . 5390 1 138 . 1 1 16 16 THR HG22 H 1 1.267 0.005 . 1 . . . . 12 . . . 5390 1 139 . 1 1 16 16 THR HG23 H 1 1.267 0.005 . 1 . . . . 12 . . . 5390 1 140 . 1 1 17 17 LEU N N 15 123.59 0.05 . 1 . . . . 13 . . . 5390 1 141 . 1 1 17 17 LEU H H 1 8.665 0.005 . 1 . . . . 13 . . . 5390 1 142 . 1 1 17 17 LEU CA C 13 58.899 0.05 . 1 . . . . 13 . . . 5390 1 143 . 1 1 17 17 LEU HA H 1 3.944 0.005 . 1 . . . . 13 . . . 5390 1 144 . 1 1 17 17 LEU CB C 13 41.85 0.05 . 1 . . . . 13 . . . 5390 1 145 . 1 1 17 17 LEU CG C 13 27.079 0.05 . 1 . . . . 13 . . . 5390 1 146 . 1 1 17 17 LEU HG H 1 1.699 0.005 . 1 . . . . 13 . . . 5390 1 147 . 1 1 17 17 LEU CD1 C 13 24.291 0.05 . 2 . . . . 13 . . . 5390 1 148 . 1 1 17 17 LEU HD11 H 1 0.888 0.005 . 2 . . . . 13 . . . 5390 1 149 . 1 1 17 17 LEU HD12 H 1 0.888 0.005 . 2 . . . . 13 . . . 5390 1 150 . 1 1 17 17 LEU HD13 H 1 0.888 0.005 . 2 . . . . 13 . . . 5390 1 151 . 1 1 17 17 LEU CD2 C 13 24.335 0.05 . 2 . . . . 13 . . . 5390 1 152 . 1 1 17 17 LEU HD21 H 1 0.893 0.005 . 2 . . . . 13 . . . 5390 1 153 . 1 1 17 17 LEU HD22 H 1 0.893 0.005 . 2 . . . . 13 . . . 5390 1 154 . 1 1 17 17 LEU HD23 H 1 0.893 0.005 . 2 . . . . 13 . . . 5390 1 155 . 1 1 17 17 LEU HB2 H 1 2.028 0.005 . 1 . . . . 13 . . . 5390 1 156 . 1 1 18 18 ARG N N 15 117.41 0.05 . 1 . . . . 14 . . . 5390 1 157 . 1 1 18 18 ARG H H 1 8.585 0.005 . 1 . . . . 14 . . . 5390 1 158 . 1 1 18 18 ARG CA C 13 60.922 0.05 . 1 . . . . 14 . . . 5390 1 159 . 1 1 18 18 ARG HA H 1 3.798 0.005 . 1 . . . . 14 . . . 5390 1 160 . 1 1 18 18 ARG CB C 13 30.696 0.05 . 1 . . . . 14 . . . 5390 1 161 . 1 1 18 18 ARG HB2 H 1 1.962 0.005 . 2 . . . . 14 . . . 5390 1 162 . 1 1 18 18 ARG HB3 H 1 1.841 0.005 . 2 . . . . 14 . . . 5390 1 163 . 1 1 18 18 ARG CG C 13 28.533 0.05 . 1 . . . . 14 . . . 5390 1 164 . 1 1 18 18 ARG CD C 13 45.09 0.05 . 1 . . . . 14 . . . 5390 1 165 . 1 1 18 18 ARG HG2 H 1 1.654 0.005 . 1 . . . . 14 . . . 5390 1 166 . 1 1 18 18 ARG HD2 H 1 3.229 0.005 . 1 . . . . 14 . . . 5390 1 167 . 1 1 18 18 ARG NE N 15 109.51 0.05 . 1 . . . . 14 . . . 5390 1 168 . 1 1 18 18 ARG HE H 1 9.103 0.005 . 1 . . . . 14 . . . 5390 1 169 . 1 1 19 19 ALA N N 15 119.73 0.05 . 1 . . . . 15 . . . 5390 1 170 . 1 1 19 19 ALA H H 1 7.488 0.005 . 1 . . . . 15 . . . 5390 1 171 . 1 1 19 19 ALA CA C 13 55.666 0.05 . 1 . . . . 15 . . . 5390 1 172 . 1 1 19 19 ALA HA H 1 4.169 0.005 . 1 . . . . 15 . . . 5390 1 173 . 1 1 19 19 ALA CB C 13 18.803 0.05 . 1 . . . . 15 . . . 5390 1 174 . 1 1 19 19 ALA HB1 H 1 1.591 0.005 . 1 . . . . 15 . . . 5390 1 175 . 1 1 19 19 ALA HB2 H 1 1.591 0.005 . 1 . . . . 15 . . . 5390 1 176 . 1 1 19 19 ALA HB3 H 1 1.591 0.005 . 1 . . . . 15 . . . 5390 1 177 . 1 1 20 20 GLN N N 15 116.95 0.05 . 1 . . . . 16 . . . 5390 1 178 . 1 1 20 20 GLN H H 1 8.384 0.005 . 1 . . . . 16 . . . 5390 1 179 . 1 1 20 20 GLN CA C 13 55.7 0.05 . 1 . . . . 16 . . . 5390 1 180 . 1 1 20 20 GLN HA H 1 4.132 0.005 . 1 . . . . 16 . . . 5390 1 181 . 1 1 20 20 GLN CB C 13 29.4 0.05 . 1 . . . . 16 . . . 5390 1 182 . 1 1 20 20 GLN HB2 H 1 1.974 0.005 . 2 . . . . 16 . . . 5390 1 183 . 1 1 20 20 GLN HB3 H 1 2.204 0.005 . 2 . . . . 16 . . . 5390 1 184 . 1 1 20 20 GLN CG C 13 33.701 0.05 . 1 . . . . 16 . . . 5390 1 185 . 1 1 20 20 GLN HG2 H 1 2.424 0.005 . 2 . . . . 16 . . . 5390 1 186 . 1 1 20 20 GLN HG3 H 1 2.497 0.005 . 2 . . . . 16 . . . 5390 1 187 . 1 1 20 20 GLN NE2 N 15 111.32 0.05 . 1 . . . . 16 . . . 5390 1 188 . 1 1 20 20 GLN HE21 H 1 7.249 0.005 . 2 . . . . 16 . . . 5390 1 189 . 1 1 20 20 GLN HE22 H 1 6.782 0.005 . 2 . . . . 16 . . . 5390 1 190 . 1 1 21 21 ALA N N 15 122.24 0.05 . 1 . . . . 17 . . . 5390 1 191 . 1 1 21 21 ALA H H 1 8.891 0.005 . 1 . . . . 17 . . . 5390 1 192 . 1 1 21 21 ALA CA C 13 54.828 0.05 . 1 . . . . 17 . . . 5390 1 193 . 1 1 21 21 ALA HA H 1 3.967 0.005 . 1 . . . . 17 . . . 5390 1 194 . 1 1 21 21 ALA CB C 13 19.428 0.05 . 1 . . . . 17 . . . 5390 1 195 . 1 1 21 21 ALA HB1 H 1 1.415 0.005 . 1 . . . . 17 . . . 5390 1 196 . 1 1 21 21 ALA HB2 H 1 1.415 0.005 . 1 . . . . 17 . . . 5390 1 197 . 1 1 21 21 ALA HB3 H 1 1.415 0.005 . 1 . . . . 17 . . . 5390 1 198 . 1 1 22 22 ARG N N 15 117.14 0.05 . 1 . . . . 18 . . . 5390 1 199 . 1 1 22 22 ARG H H 1 7.443 0.005 . 1 . . . . 18 . . . 5390 1 200 . 1 1 22 22 ARG CA C 13 56.01 0.05 . 1 . . . . 18 . . . 5390 1 201 . 1 1 22 22 ARG HA H 1 4.062 0.005 . 1 . . . . 18 . . . 5390 1 202 . 1 1 22 22 ARG CB C 13 30.9 0.05 . 1 . . . . 18 . . . 5390 1 203 . 1 1 22 22 ARG CG C 13 27.101 0.05 . 1 . . . . 18 . . . 5390 1 204 . 1 1 22 22 ARG CD C 13 45.09 0.05 . 1 . . . . 18 . . . 5390 1 205 . 1 1 22 22 ARG HB2 H 1 2.022 0.005 . 1 . . . . 18 . . . 5390 1 206 . 1 1 22 22 ARG HG2 H 1 1.876 0.005 . 1 . . . . 18 . . . 5390 1 207 . 1 1 22 22 ARG HD2 H 1 3.279 0.005 . 1 . . . . 18 . . . 5390 1 208 . 1 1 22 22 ARG HE H 1 7.21 0.005 . 1 . . . . 18 . . . 5390 1 209 . 1 1 23 23 GLU N N 15 114.6 0.05 . 1 . . . . 19 . . . 5390 1 210 . 1 1 23 23 GLU H H 1 7.281 0.005 . 1 . . . . 19 . . . 5390 1 211 . 1 1 23 23 GLU CA C 13 56.602 0.05 . 1 . . . . 19 . . . 5390 1 212 . 1 1 23 23 GLU HA H 1 4.438 0.005 . 1 . . . . 19 . . . 5390 1 213 . 1 1 23 23 GLU CB C 13 29.9 0.05 . 1 . . . . 19 . . . 5390 1 214 . 1 1 23 23 GLU CG C 13 35.61 0.05 . 1 . . . . 19 . . . 5390 1 215 . 1 1 23 23 GLU HB2 H 1 1.996 0.005 . 1 . . . . 19 . . . 5390 1 216 . 1 1 23 23 GLU HG2 H 1 2.387 0.005 . 2 . . . . 19 . . . 5390 1 217 . 1 1 23 23 GLU HG3 H 1 2.314 0.005 . 2 . . . . 19 . . . 5390 1 218 . 1 1 24 24 SER N N 15 115.6 0.05 . 1 . . . . 20 . . . 5390 1 219 . 1 1 24 24 SER H H 1 7.626 0.005 . 1 . . . . 20 . . . 5390 1 220 . 1 1 24 24 SER CA C 13 58.232 0.05 . 1 . . . . 20 . . . 5390 1 221 . 1 1 24 24 SER HA H 1 4.942 0.005 . 1 . . . . 20 . . . 5390 1 222 . 1 1 24 24 SER CB C 13 66.228 0.05 . 1 . . . . 20 . . . 5390 1 223 . 1 1 24 24 SER HB2 H 1 3.711 0.005 . 2 . . . . 20 . . . 5390 1 224 . 1 1 24 24 SER HB3 H 1 3.865 0.005 . 2 . . . . 20 . . . 5390 1 225 . 1 1 25 25 THR N N 15 114.08 0.05 . 1 . . . . 21 . . . 5390 1 226 . 1 1 25 25 THR H H 1 8.709 0.005 . 1 . . . . 21 . . . 5390 1 227 . 1 1 25 25 THR CA C 13 62.161 0.05 . 1 . . . . 21 . . . 5390 1 228 . 1 1 25 25 THR HA H 1 4.364 0.005 . 1 . . . . 21 . . . 5390 1 229 . 1 1 25 25 THR CB C 13 70.202 0.05 . 1 . . . . 21 . . . 5390 1 230 . 1 1 25 25 THR HB H 1 4.347 0.005 . 1 . . . . 21 . . . 5390 1 231 . 1 1 25 25 THR CG2 C 13 24.368 0.05 . 1 . . . . 21 . . . 5390 1 232 . 1 1 25 25 THR HG21 H 1 1.271 0.005 . 1 . . . . 21 . . . 5390 1 233 . 1 1 25 25 THR HG22 H 1 1.271 0.005 . 1 . . . . 21 . . . 5390 1 234 . 1 1 25 25 THR HG23 H 1 1.271 0.005 . 1 . . . . 21 . . . 5390 1 235 . 1 1 26 26 LEU N N 15 123.47 0.05 . 1 . . . . 22 . . . 5390 1 236 . 1 1 26 26 LEU H H 1 9.094 0.005 . 1 . . . . 22 . . . 5390 1 237 . 1 1 26 26 LEU CA C 13 55.11 0.05 . 1 . . . . 22 . . . 5390 1 238 . 1 1 26 26 LEU HA H 1 4.048 0.005 . 1 . . . . 22 . . . 5390 1 239 . 1 1 26 26 LEU CB C 13 42.402 0.05 . 1 . . . . 22 . . . 5390 1 240 . 1 1 26 26 LEU HB2 H 1 1.883 0.005 . 1 . . . . 22 . . . 5390 1 241 . 1 1 26 26 LEU CD1 C 13 22.999 0.05 . 2 . . . . 22 . . . 5390 1 242 . 1 1 26 26 LEU HD11 H 1 0.896 0.005 . 2 . . . . 22 . . . 5390 1 243 . 1 1 26 26 LEU HD12 H 1 0.896 0.005 . 2 . . . . 22 . . . 5390 1 244 . 1 1 26 26 LEU HD13 H 1 0.896 0.005 . 2 . . . . 22 . . . 5390 1 245 . 1 1 26 26 LEU CD2 C 13 22.894 0.05 . 2 . . . . 22 . . . 5390 1 246 . 1 1 26 26 LEU HD21 H 1 0.817 0.005 . 2 . . . . 22 . . . 5390 1 247 . 1 1 26 26 LEU HD22 H 1 0.817 0.005 . 2 . . . . 22 . . . 5390 1 248 . 1 1 26 26 LEU HD23 H 1 0.817 0.005 . 2 . . . . 22 . . . 5390 1 249 . 1 1 27 27 GLU N N 15 117.21 0.05 . 1 . . . . 23 . . . 5390 1 250 . 1 1 27 27 GLU H H 1 8.749 0.005 . 1 . . . . 23 . . . 5390 1 251 . 1 1 27 27 GLU CA C 13 56.6 0.05 . 1 . . . . 23 . . . 5390 1 252 . 1 1 27 27 GLU HA H 1 4.092 0.005 . 1 . . . . 23 . . . 5390 1 253 . 1 1 27 27 GLU CB C 13 29.91 0.05 . 1 . . . . 23 . . . 5390 1 254 . 1 1 27 27 GLU CG C 13 35.59 0.05 . 1 . . . . 23 . . . 5390 1 255 . 1 1 27 27 GLU HB2 H 1 2.089 0.005 . 2 . . . . 23 . . . 5390 1 256 . 1 1 27 27 GLU HB3 H 1 1.957 0.005 . 2 . . . . 23 . . . 5390 1 257 . 1 1 27 27 GLU HG2 H 1 2.351 0.005 . 1 . . . . 23 . . . 5390 1 258 . 1 1 28 28 THR N N 15 116.99 0.05 . 1 . . . . 24 . . . 5390 1 259 . 1 1 28 28 THR H H 1 7.715 0.005 . 1 . . . . 24 . . . 5390 1 260 . 1 1 28 28 THR CA C 13 67.052 0.05 . 1 . . . . 24 . . . 5390 1 261 . 1 1 28 28 THR HA H 1 3.969 0.005 . 1 . . . . 24 . . . 5390 1 262 . 1 1 28 28 THR CB C 13 69.04 0.05 . 1 . . . . 24 . . . 5390 1 263 . 1 1 28 28 THR HB H 1 4.286 0.005 . 1 . . . . 24 . . . 5390 1 264 . 1 1 28 28 THR CG2 C 13 22.496 0.05 . 1 . . . . 24 . . . 5390 1 265 . 1 1 28 28 THR HG21 H 1 1.246 0.005 . 1 . . . . 24 . . . 5390 1 266 . 1 1 28 28 THR HG22 H 1 1.246 0.005 . 1 . . . . 24 . . . 5390 1 267 . 1 1 28 28 THR HG23 H 1 1.246 0.005 . 1 . . . . 24 . . . 5390 1 268 . 1 1 29 29 LEU N N 15 121.66 0.05 . 1 . . . . 25 . . . 5390 1 269 . 1 1 29 29 LEU H H 1 7.862 0.005 . 1 . . . . 25 . . . 5390 1 270 . 1 1 29 29 LEU CA C 13 58.767 0.05 . 1 . . . . 25 . . . 5390 1 271 . 1 1 29 29 LEU HA H 1 4.049 0.005 . 1 . . . . 25 . . . 5390 1 272 . 1 1 29 29 LEU CB C 13 42.86 0.05 . 1 . . . . 25 . . . 5390 1 273 . 1 1 29 29 LEU CD2 C 13 24.118 0.05 . 2 . . . . 25 . . . 5390 1 274 . 1 1 29 29 LEU HD21 H 1 0.954 0.005 . 2 . . . . 25 . . . 5390 1 275 . 1 1 29 29 LEU HD22 H 1 0.954 0.005 . 2 . . . . 25 . . . 5390 1 276 . 1 1 29 29 LEU HD23 H 1 0.954 0.005 . 2 . . . . 25 . . . 5390 1 277 . 1 1 29 29 LEU HD11 H 1 0.852 0.005 . 2 . . . . 25 . . . 5390 1 278 . 1 1 29 29 LEU HD12 H 1 0.852 0.005 . 2 . . . . 25 . . . 5390 1 279 . 1 1 29 29 LEU HD13 H 1 0.852 0.005 . 2 . . . . 25 . . . 5390 1 280 . 1 1 29 29 LEU CD1 C 13 24.31 0.05 . 2 . . . . 25 . . . 5390 1 281 . 1 1 29 29 LEU HB2 H 1 2.119 0.005 . 1 . . . . 25 . . . 5390 1 282 . 1 1 29 29 LEU CG C 13 28.17 0.05 . 1 . . . . 25 . . . 5390 1 283 . 1 1 29 29 LEU HG H 1 1.463 0.005 . 1 . . . . 25 . . . 5390 1 284 . 1 1 30 30 GLU N N 15 117.38 0.05 . 1 . . . . 26 . . . 5390 1 285 . 1 1 30 30 GLU H H 1 8.832 0.005 . 1 . . . . 26 . . . 5390 1 286 . 1 1 30 30 GLU CA C 13 60.042 0.05 . 1 . . . . 26 . . . 5390 1 287 . 1 1 30 30 GLU HA H 1 4.003 0.005 . 1 . . . . 26 . . . 5390 1 288 . 1 1 30 30 GLU CB C 13 30.142 0.05 . 1 . . . . 26 . . . 5390 1 289 . 1 1 30 30 GLU CG C 13 36.995 0.05 . 1 . . . . 26 . . . 5390 1 290 . 1 1 30 30 GLU HB2 H 1 2.158 0.005 . 1 . . . . 26 . . . 5390 1 291 . 1 1 30 30 GLU HG2 H 1 2.481 0.005 . 1 . . . . 26 . . . 5390 1 292 . 1 1 31 31 GLU N N 15 121.27 0.05 . 1 . . . . 27 . . . 5390 1 293 . 1 1 31 31 GLU H H 1 7.861 0.005 . 1 . . . . 27 . . . 5390 1 294 . 1 1 31 31 GLU CA C 13 59.808 0.05 . 1 . . . . 27 . . . 5390 1 295 . 1 1 31 31 GLU HA H 1 4.135 0.005 . 1 . . . . 27 . . . 5390 1 296 . 1 1 31 31 GLU CB C 13 30.263 0.05 . 1 . . . . 27 . . . 5390 1 297 . 1 1 31 31 GLU CG C 13 36.773 0.05 . 1 . . . . 27 . . . 5390 1 298 . 1 1 31 31 GLU HB2 H 1 2.114 0.005 . 1 . . . . 27 . . . 5390 1 299 . 1 1 31 31 GLU HG2 H 1 2.364 0.005 . 1 . . . . 27 . . . 5390 1 300 . 1 1 32 32 MET N N 15 120.38 0.05 . 1 . . . . 28 . . . 5390 1 301 . 1 1 32 32 MET H H 1 8.157 0.005 . 1 . . . . 28 . . . 5390 1 302 . 1 1 32 32 MET CA C 13 59.676 0.05 . 1 . . . . 28 . . . 5390 1 303 . 1 1 32 32 MET HA H 1 3.982 0.005 . 1 . . . . 28 . . . 5390 1 304 . 1 1 32 32 MET CB C 13 33.212 0.05 . 1 . . . . 28 . . . 5390 1 305 . 1 1 32 32 MET CG C 13 33.104 0.05 . 1 . . . . 28 . . . 5390 1 306 . 1 1 32 32 MET CE C 13 17.568 0.05 . 1 . . . . 28 . . . 5390 1 307 . 1 1 32 32 MET HE1 H 1 2.104 0.005 . 1 . . . . 28 . . . 5390 1 308 . 1 1 32 32 MET HE2 H 1 2.104 0.005 . 1 . . . . 28 . . . 5390 1 309 . 1 1 32 32 MET HE3 H 1 2.104 0.005 . 1 . . . . 28 . . . 5390 1 310 . 1 1 32 32 MET HB2 H 1 2.156 0.005 . 1 . . . . 28 . . . 5390 1 311 . 1 1 32 32 MET HG2 H 1 2.631 0.005 . 1 . . . . 28 . . . 5390 1 312 . 1 1 33 33 LEU N N 15 119.91 0.05 . 1 . . . . 29 . . . 5390 1 313 . 1 1 33 33 LEU H H 1 8.269 0.005 . 1 . . . . 29 . . . 5390 1 314 . 1 1 33 33 LEU CA C 13 58.954 0.05 . 1 . . . . 29 . . . 5390 1 315 . 1 1 33 33 LEU HA H 1 4.035 0.005 . 1 . . . . 29 . . . 5390 1 316 . 1 1 33 33 LEU CB C 13 41.665 0.05 . 1 . . . . 29 . . . 5390 1 317 . 1 1 33 33 LEU HB2 H 1 1.923 0.005 . 2 . . . . 29 . . . 5390 1 318 . 1 1 33 33 LEU HB3 H 1 2.038 0.005 . 2 . . . . 29 . . . 5390 1 319 . 1 1 33 33 LEU HG H 1 1.407 0.005 . 1 . . . . 29 . . . 5390 1 320 . 1 1 33 33 LEU CD1 C 13 26.958 0.05 . 2 . . . . 29 . . . 5390 1 321 . 1 1 33 33 LEU HD11 H 1 0.927 0.005 . 2 . . . . 29 . . . 5390 1 322 . 1 1 33 33 LEU HD12 H 1 0.927 0.005 . 2 . . . . 29 . . . 5390 1 323 . 1 1 33 33 LEU HD13 H 1 0.927 0.005 . 2 . . . . 29 . . . 5390 1 324 . 1 1 33 33 LEU CD2 C 13 27.401 0.05 . 2 . . . . 29 . . . 5390 1 325 . 1 1 33 33 LEU HD21 H 1 0.842 0.005 . 2 . . . . 29 . . . 5390 1 326 . 1 1 33 33 LEU HD22 H 1 0.842 0.005 . 2 . . . . 29 . . . 5390 1 327 . 1 1 33 33 LEU HD23 H 1 0.842 0.005 . 2 . . . . 29 . . . 5390 1 328 . 1 1 34 34 GLU N N 15 118.02 0.05 . 1 . . . . 30 . . . 5390 1 329 . 1 1 34 34 GLU H H 1 7.796 0.005 . 1 . . . . 30 . . . 5390 1 330 . 1 1 34 34 GLU CA C 13 60.06 0.05 . 1 . . . . 30 . . . 5390 1 331 . 1 1 34 34 GLU HA H 1 4.075 0.005 . 1 . . . . 30 . . . 5390 1 332 . 1 1 34 34 GLU CB C 13 30.007 0.05 . 1 . . . . 30 . . . 5390 1 333 . 1 1 34 34 GLU CG C 13 37.107 0.05 . 1 . . . . 30 . . . 5390 1 334 . 1 1 34 34 GLU HB2 H 1 2.196 0.005 . 1 . . . . 30 . . . 5390 1 335 . 1 1 34 34 GLU HG2 H 1 2.462 0.005 . 1 . . . . 30 . . . 5390 1 336 . 1 1 35 35 LYS N N 15 118.41 0.05 . 1 . . . . 31 . . . 5390 1 337 . 1 1 35 35 LYS H H 1 7.826 0.005 . 1 . . . . 31 . . . 5390 1 338 . 1 1 35 35 LYS CA C 13 56.2 0.05 . 1 . . . . 31 . . . 5390 1 339 . 1 1 35 35 LYS HA H 1 3.978 0.005 . 1 . . . . 31 . . . 5390 1 340 . 1 1 35 35 LYS CB C 13 33.101 0.05 . 1 . . . . 31 . . . 5390 1 341 . 1 1 35 35 LYS HB2 H 1 2.04 0.005 . 1 . . . . 31 . . . 5390 1 342 . 1 1 35 35 LYS CG C 13 24.71 0.05 . 1 . . . . 31 . . . 5390 1 343 . 1 1 35 35 LYS CD C 13 29.052 0.05 . 1 . . . . 31 . . . 5390 1 344 . 1 1 35 35 LYS CE C 13 41.93 0.05 . 1 . . . . 31 . . . 5390 1 345 . 1 1 35 35 LYS HG2 H 1 1.402 0.005 . 1 . . . . 31 . . . 5390 1 346 . 1 1 35 35 LYS HD2 H 1 1.634 0.005 . 1 . . . . 31 . . . 5390 1 347 . 1 1 35 35 LYS HE2 H 1 2.995 0.005 . 1 . . . . 31 . . . 5390 1 348 . 1 1 36 36 LEU N N 15 119.63 0.05 . 1 . . . . 32 . . . 5390 1 349 . 1 1 36 36 LEU H H 1 8.571 0.005 . 1 . . . . 32 . . . 5390 1 350 . 1 1 36 36 LEU CA C 13 55.1 0.05 . 1 . . . . 32 . . . 5390 1 351 . 1 1 36 36 LEU HA H 1 4.106 0.005 . 1 . . . . 32 . . . 5390 1 352 . 1 1 36 36 LEU CB C 13 42.4 0.05 . 1 . . . . 32 . . . 5390 1 353 . 1 1 36 36 LEU HB2 H 1 1.992 0.005 . 2 . . . . 32 . . . 5390 1 354 . 1 1 36 36 LEU HB3 H 1 2.176 0.005 . 2 . . . . 32 . . . 5390 1 355 . 1 1 36 36 LEU CD1 C 13 27.213 0.05 . 2 . . . . 32 . . . 5390 1 356 . 1 1 36 36 LEU HD11 H 1 0.91 0.005 . 2 . . . . 32 . . . 5390 1 357 . 1 1 36 36 LEU HD12 H 1 0.91 0.005 . 2 . . . . 32 . . . 5390 1 358 . 1 1 36 36 LEU HD13 H 1 0.91 0.005 . 2 . . . . 32 . . . 5390 1 359 . 1 1 36 36 LEU CD2 C 13 27.134 0.05 . 2 . . . . 32 . . . 5390 1 360 . 1 1 36 36 LEU HD21 H 1 0.854 0.005 . 2 . . . . 32 . . . 5390 1 361 . 1 1 36 36 LEU HD22 H 1 0.854 0.005 . 2 . . . . 32 . . . 5390 1 362 . 1 1 36 36 LEU HD23 H 1 0.854 0.005 . 2 . . . . 32 . . . 5390 1 363 . 1 1 36 36 LEU CG C 13 26.95 0.05 . 1 . . . . 32 . . . 5390 1 364 . 1 1 36 36 LEU HG H 1 1.651 0.005 . 1 . . . . 32 . . . 5390 1 365 . 1 1 37 37 GLU N N 15 119.08 0.05 . 1 . . . . 33 . . . 5390 1 366 . 1 1 37 37 GLU H H 1 8.631 0.005 . 1 . . . . 33 . . . 5390 1 367 . 1 1 37 37 GLU CA C 13 61.088 0.05 . 1 . . . . 33 . . . 5390 1 368 . 1 1 37 37 GLU HA H 1 3.797 0.005 . 1 . . . . 33 . . . 5390 1 369 . 1 1 37 37 GLU CB C 13 29.586 0.05 . 1 . . . . 33 . . . 5390 1 370 . 1 1 37 37 GLU CG C 13 37.156 0.05 . 1 . . . . 33 . . . 5390 1 371 . 1 1 37 37 GLU HG2 H 1 2.209 0.005 . 2 . . . . 33 . . . 5390 1 372 . 1 1 37 37 GLU HG3 H 1 2.155 0.005 . 2 . . . . 33 . . . 5390 1 373 . 1 1 37 37 GLU HB2 H 1 2.188 0.005 . 1 . . . . 33 . . . 5390 1 374 . 1 1 38 38 VAL N N 15 119.68 0.05 . 1 . . . . 34 . . . 5390 1 375 . 1 1 38 38 VAL H H 1 7.713 0.005 . 1 . . . . 34 . . . 5390 1 376 . 1 1 38 38 VAL CA C 13 67.304 0.05 . 1 . . . . 34 . . . 5390 1 377 . 1 1 38 38 VAL HA H 1 3.693 0.005 . 1 . . . . 34 . . . 5390 1 378 . 1 1 38 38 VAL CB C 13 31.986 0.05 . 1 . . . . 34 . . . 5390 1 379 . 1 1 38 38 VAL HB H 1 2.432 0.005 . 1 . . . . 34 . . . 5390 1 380 . 1 1 38 38 VAL CG1 C 13 23.562 0.05 . 2 . . . . 34 . . . 5390 1 381 . 1 1 38 38 VAL HG11 H 1 1.612 0.005 . 2 . . . . 34 . . . 5390 1 382 . 1 1 38 38 VAL HG12 H 1 1.612 0.005 . 2 . . . . 34 . . . 5390 1 383 . 1 1 38 38 VAL HG13 H 1 1.612 0.005 . 2 . . . . 34 . . . 5390 1 384 . 1 1 38 38 VAL CG2 C 13 21.734 0.05 . 2 . . . . 34 . . . 5390 1 385 . 1 1 38 38 VAL HG21 H 1 0.925 0.005 . 2 . . . . 34 . . . 5390 1 386 . 1 1 38 38 VAL HG22 H 1 0.925 0.005 . 2 . . . . 34 . . . 5390 1 387 . 1 1 38 38 VAL HG23 H 1 0.925 0.005 . 2 . . . . 34 . . . 5390 1 388 . 1 1 39 39 VAL N N 15 120 0.05 . 1 . . . . 35 . . . 5390 1 389 . 1 1 39 39 VAL H H 1 7.881 0.005 . 1 . . . . 35 . . . 5390 1 390 . 1 1 39 39 VAL CA C 13 62.2 0.05 . 1 . . . . 35 . . . 5390 1 391 . 1 1 39 39 VAL HA H 1 3.738 0.005 . 1 . . . . 35 . . . 5390 1 392 . 1 1 39 39 VAL CB C 13 32.912 0.05 . 1 . . . . 35 . . . 5390 1 393 . 1 1 39 39 VAL HB H 1 2.08 0.005 . 1 . . . . 35 . . . 5390 1 394 . 1 1 39 39 VAL CG1 C 13 24.269 0.05 . 2 . . . . 35 . . . 5390 1 395 . 1 1 39 39 VAL HG11 H 1 1.071 0.005 . 2 . . . . 35 . . . 5390 1 396 . 1 1 39 39 VAL HG12 H 1 1.071 0.005 . 2 . . . . 35 . . . 5390 1 397 . 1 1 39 39 VAL HG13 H 1 1.071 0.005 . 2 . . . . 35 . . . 5390 1 398 . 1 1 39 39 VAL CG2 C 13 21.916 0.05 . 2 . . . . 35 . . . 5390 1 399 . 1 1 39 39 VAL HG21 H 1 0.895 0.005 . 2 . . . . 35 . . . 5390 1 400 . 1 1 39 39 VAL HG22 H 1 0.895 0.005 . 2 . . . . 35 . . . 5390 1 401 . 1 1 39 39 VAL HG23 H 1 0.895 0.005 . 2 . . . . 35 . . . 5390 1 402 . 1 1 40 40 VAL N N 15 121.39 0.05 . 1 . . . . 36 . . . 5390 1 403 . 1 1 40 40 VAL H H 1 8.995 0.005 . 1 . . . . 36 . . . 5390 1 404 . 1 1 40 40 VAL CA C 13 68.339 0.05 . 1 . . . . 36 . . . 5390 1 405 . 1 1 40 40 VAL HA H 1 3.416 0.005 . 1 . . . . 36 . . . 5390 1 406 . 1 1 40 40 VAL CB C 13 31.545 0.05 . 1 . . . . 36 . . . 5390 1 407 . 1 1 40 40 VAL HB H 1 2.057 0.005 . 1 . . . . 36 . . . 5390 1 408 . 1 1 40 40 VAL CG1 C 13 21.95 0.05 . 2 . . . . 36 . . . 5390 1 409 . 1 1 40 40 VAL HG11 H 1 0.875 0.005 . 2 . . . . 36 . . . 5390 1 410 . 1 1 40 40 VAL HG12 H 1 0.875 0.005 . 2 . . . . 36 . . . 5390 1 411 . 1 1 40 40 VAL HG13 H 1 0.875 0.005 . 2 . . . . 36 . . . 5390 1 412 . 1 1 40 40 VAL CG2 C 13 25.203 0.05 . 2 . . . . 36 . . . 5390 1 413 . 1 1 40 40 VAL HG21 H 1 0.962 0.005 . 2 . . . . 36 . . . 5390 1 414 . 1 1 40 40 VAL HG22 H 1 0.962 0.005 . 2 . . . . 36 . . . 5390 1 415 . 1 1 40 40 VAL HG23 H 1 0.962 0.005 . 2 . . . . 36 . . . 5390 1 416 . 1 1 41 41 ASN N N 15 118.79 0.05 . 1 . . . . 37 . . . 5390 1 417 . 1 1 41 41 ASN H H 1 8.559 0.005 . 1 . . . . 37 . . . 5390 1 418 . 1 1 41 41 ASN CA C 13 57.532 0.05 . 1 . . . . 37 . . . 5390 1 419 . 1 1 41 41 ASN HA H 1 4.449 0.005 . 1 . . . . 37 . . . 5390 1 420 . 1 1 41 41 ASN CB C 13 38.543 0.05 . 1 . . . . 37 . . . 5390 1 421 . 1 1 41 41 ASN HB2 H 1 2.835 0.005 . 2 . . . . 37 . . . 5390 1 422 . 1 1 41 41 ASN HB3 H 1 3.017 0.005 . 2 . . . . 37 . . . 5390 1 423 . 1 1 41 41 ASN ND2 N 15 113.71 0.05 . 1 . . . . 37 . . . 5390 1 424 . 1 1 41 41 ASN HD21 H 1 7.586 0.005 . 2 . . . . 37 . . . 5390 1 425 . 1 1 41 41 ASN HD22 H 1 7.116 0.005 . 2 . . . . 37 . . . 5390 1 426 . 1 1 42 42 GLU N N 15 120.44 0.05 . 1 . . . . 38 . . . 5390 1 427 . 1 1 42 42 GLU H H 1 8.376 0.005 . 1 . . . . 38 . . . 5390 1 428 . 1 1 42 42 GLU CA C 13 60.63 0.05 . 1 . . . . 38 . . . 5390 1 429 . 1 1 42 42 GLU HA H 1 4.104 0.005 . 1 . . . . 38 . . . 5390 1 430 . 1 1 42 42 GLU CB C 13 29.565 0.05 . 1 . . . . 38 . . . 5390 1 431 . 1 1 42 42 GLU CG C 13 37.735 0.05 . 1 . . . . 38 . . . 5390 1 432 . 1 1 42 42 GLU HB2 H 1 2.015 0.005 . 1 . . . . 38 . . . 5390 1 433 . 1 1 42 42 GLU HG2 H 1 2.354 0.005 . 1 . . . . 38 . . . 5390 1 434 . 1 1 43 43 ARG N N 15 120.94 0.05 . 1 . . . . 39 . . . 5390 1 435 . 1 1 43 43 ARG H H 1 7.995 0.005 . 1 . . . . 39 . . . 5390 1 436 . 1 1 43 43 ARG CA C 13 57.377 0.05 . 1 . . . . 39 . . . 5390 1 437 . 1 1 43 43 ARG HA H 1 4.201 0.005 . 1 . . . . 39 . . . 5390 1 438 . 1 1 43 43 ARG CB C 13 31.459 0.05 . 1 . . . . 39 . . . 5390 1 439 . 1 1 43 43 ARG CG C 13 27.854 0.05 . 1 . . . . 39 . . . 5390 1 440 . 1 1 43 43 ARG CD C 13 44.424 0.05 . 1 . . . . 39 . . . 5390 1 441 . 1 1 43 43 ARG HB2 H 1 1.907 0.005 . 2 . . . . 39 . . . 5390 1 442 . 1 1 43 43 ARG HB3 H 1 1.985 0.005 . 2 . . . . 39 . . . 5390 1 443 . 1 1 43 43 ARG HG2 H 1 1.51 0.005 . 2 . . . . 39 . . . 5390 1 444 . 1 1 43 43 ARG HG3 H 1 1.428 0.005 . 2 . . . . 39 . . . 5390 1 445 . 1 1 43 43 ARG HD2 H 1 3.221 0.005 . 1 . . . . 39 . . . 5390 1 446 . 1 1 43 43 ARG HE H 1 8.111 0.05 . 1 . . . . 39 . . . 5390 1 447 . 1 1 44 44 ARG N N 15 120.96 0.05 . 1 . . . . 40 . . . 5390 1 448 . 1 1 44 44 ARG H H 1 8.934 0.005 . 1 . . . . 40 . . . 5390 1 449 . 1 1 44 44 ARG CA C 13 60.421 0.05 . 1 . . . . 40 . . . 5390 1 450 . 1 1 44 44 ARG HA H 1 3.968 0.005 . 1 . . . . 40 . . . 5390 1 451 . 1 1 44 44 ARG CB C 13 30.4 0.05 . 1 . . . . 40 . . . 5390 1 452 . 1 1 44 44 ARG HB2 H 1 1.852 0.005 . 2 . . . . 40 . . . 5390 1 453 . 1 1 44 44 ARG HB3 H 1 1.805 0.005 . 2 . . . . 40 . . . 5390 1 454 . 1 1 44 44 ARG CG C 13 27.449 0.05 . 1 . . . . 40 . . . 5390 1 455 . 1 1 44 44 ARG CD C 13 43.194 0.05 . 1 . . . . 40 . . . 5390 1 456 . 1 1 44 44 ARG HG2 H 1 1.573 0.005 . 1 . . . . 40 . . . 5390 1 457 . 1 1 44 44 ARG HD2 H 1 2.983 0.005 . 1 . . . . 40 . . . 5390 1 458 . 1 1 44 44 ARG HE H 1 8.268 0.005 . 1 . . . . 40 . . . 5390 1 459 . 1 1 45 45 GLU N N 15 119.27 0.05 . 1 . . . . 41 . . . 5390 1 460 . 1 1 45 45 GLU H H 1 7.956 0.005 . 1 . . . . 41 . . . 5390 1 461 . 1 1 45 45 GLU CA C 13 59.905 0.05 . 1 . . . . 41 . . . 5390 1 462 . 1 1 45 45 GLU HA H 1 4.108 0.005 . 1 . . . . 41 . . . 5390 1 463 . 1 1 45 45 GLU CB C 13 30.024 0.05 . 1 . . . . 41 . . . 5390 1 464 . 1 1 45 45 GLU CG C 13 36.787 0.05 . 1 . . . . 41 . . . 5390 1 465 . 1 1 45 45 GLU HG2 H 1 2.436 0.005 . 2 . . . . 41 . . . 5390 1 466 . 1 1 45 45 GLU HG3 H 1 2.324 0.005 . 2 . . . . 41 . . . 5390 1 467 . 1 1 45 45 GLU HB2 H 1 2.166 0.005 . 1 . . . . 41 . . . 5390 1 468 . 1 1 46 46 GLU N N 15 120.88 0.05 . 1 . . . . 42 . . . 5390 1 469 . 1 1 46 46 GLU H H 1 8.121 0.005 . 1 . . . . 42 . . . 5390 1 470 . 1 1 46 46 GLU CA C 13 59.792 0.05 . 1 . . . . 42 . . . 5390 1 471 . 1 1 46 46 GLU HA H 1 4.127 0.005 . 1 . . . . 42 . . . 5390 1 472 . 1 1 46 46 GLU CB C 13 30.624 0.05 . 1 . . . . 42 . . . 5390 1 473 . 1 1 46 46 GLU CG C 13 36.799 0.05 . 1 . . . . 42 . . . 5390 1 474 . 1 1 46 46 GLU HB2 H 1 2.269 0.005 . 1 . . . . 42 . . . 5390 1 475 . 1 1 46 46 GLU HG2 H 1 2.477 0.005 . 1 . . . . 42 . . . 5390 1 476 . 1 1 47 47 GLU N N 15 118.49 0.05 . 1 . . . . 43 . . . 5390 1 477 . 1 1 47 47 GLU H H 1 8.347 0.005 . 1 . . . . 43 . . . 5390 1 478 . 1 1 47 47 GLU CA C 13 59.072 0.05 . 1 . . . . 43 . . . 5390 1 479 . 1 1 47 47 GLU HA H 1 4.272 0.005 . 1 . . . . 43 . . . 5390 1 480 . 1 1 47 47 GLU CB C 13 29.92 0.05 . 1 . . . . 43 . . . 5390 1 481 . 1 1 47 47 GLU HB2 H 1 2.025 0.005 . 1 . . . . 43 . . . 5390 1 482 . 1 1 47 47 GLU CG C 13 36.742 0.05 . 1 . . . . 43 . . . 5390 1 483 . 1 1 47 47 GLU HG2 H 1 2.347 0.005 . 2 . . . . 43 . . . 5390 1 484 . 1 1 47 47 GLU HG3 H 1 2.416 0.005 . 2 . . . . 43 . . . 5390 1 485 . 1 1 48 48 SER N N 15 115.79 0.05 . 1 . . . . 44 . . . 5390 1 486 . 1 1 48 48 SER H H 1 8.076 0.005 . 1 . . . . 44 . . . 5390 1 487 . 1 1 48 48 SER CA C 13 60.809 0.05 . 1 . . . . 44 . . . 5390 1 488 . 1 1 48 48 SER HA H 1 4.378 0.005 . 1 . . . . 44 . . . 5390 1 489 . 1 1 48 48 SER CB C 13 63.748 0.05 . 1 . . . . 44 . . . 5390 1 490 . 1 1 48 48 SER HB2 H 1 4.026 0.005 . 1 . . . . 44 . . . 5390 1 491 . 1 1 49 49 ALA N N 15 125.12 0.05 . 1 . . . . 45 . . . 5390 1 492 . 1 1 49 49 ALA H H 1 8.061 0.005 . 1 . . . . 45 . . . 5390 1 493 . 1 1 49 49 ALA CA C 13 54.236 0.05 . 1 . . . . 45 . . . 5390 1 494 . 1 1 49 49 ALA HA H 1 4.301 0.005 . 1 . . . . 45 . . . 5390 1 495 . 1 1 49 49 ALA CB C 13 19.176 0.05 . 1 . . . . 45 . . . 5390 1 496 . 1 1 49 49 ALA HB1 H 1 1.507 0.005 . 1 . . . . 45 . . . 5390 1 497 . 1 1 49 49 ALA HB2 H 1 1.507 0.005 . 1 . . . . 45 . . . 5390 1 498 . 1 1 49 49 ALA HB3 H 1 1.507 0.005 . 1 . . . . 45 . . . 5390 1 499 . 1 1 50 50 ALA N N 15 121.88 0.05 . 1 . . . . 46 . . . 5390 1 500 . 1 1 50 50 ALA H H 1 7.964 0.005 . 1 . . . . 46 . . . 5390 1 501 . 1 1 50 50 ALA CA C 13 54.168 0.05 . 1 . . . . 46 . . . 5390 1 502 . 1 1 50 50 ALA HA H 1 4.284 0.005 . 1 . . . . 46 . . . 5390 1 503 . 1 1 50 50 ALA CB C 13 19.404 0.05 . 1 . . . . 46 . . . 5390 1 504 . 1 1 50 50 ALA HB1 H 1 1.493 0.005 . 1 . . . . 46 . . . 5390 1 505 . 1 1 50 50 ALA HB2 H 1 1.493 0.005 . 1 . . . . 46 . . . 5390 1 506 . 1 1 50 50 ALA HB3 H 1 1.493 0.005 . 1 . . . . 46 . . . 5390 1 507 . 1 1 51 51 ALA N N 15 122.07 0.05 . 1 . . . . 47 . . . 5390 1 508 . 1 1 51 51 ALA H H 1 7.976 0.005 . 1 . . . . 47 . . . 5390 1 509 . 1 1 51 51 ALA CA C 13 53.912 0.05 . 1 . . . . 47 . . . 5390 1 510 . 1 1 51 51 ALA HA H 1 4.288 0.005 . 1 . . . . 47 . . . 5390 1 511 . 1 1 51 51 ALA CB C 13 19.39 0.05 . 1 . . . . 47 . . . 5390 1 512 . 1 1 51 51 ALA HB1 H 1 1.482 0.005 . 1 . . . . 47 . . . 5390 1 513 . 1 1 51 51 ALA HB2 H 1 1.482 0.005 . 1 . . . . 47 . . . 5390 1 514 . 1 1 51 51 ALA HB3 H 1 1.482 0.005 . 1 . . . . 47 . . . 5390 1 515 . 1 1 52 52 ALA N N 15 122.17 0.05 . 1 . . . . 48 . . . 5390 1 516 . 1 1 52 52 ALA H H 1 7.975 0.005 . 1 . . . . 48 . . . 5390 1 517 . 1 1 52 52 ALA CA C 13 54.165 0.05 . 1 . . . . 48 . . . 5390 1 518 . 1 1 52 52 ALA HA H 1 4.29 0.005 . 1 . . . . 48 . . . 5390 1 519 . 1 1 52 52 ALA CB C 13 19.413 0.05 . 1 . . . . 48 . . . 5390 1 520 . 1 1 52 52 ALA HB1 H 1 1.485 0.005 . 1 . . . . 48 . . . 5390 1 521 . 1 1 52 52 ALA HB2 H 1 1.485 0.005 . 1 . . . . 48 . . . 5390 1 522 . 1 1 52 52 ALA HB3 H 1 1.485 0.005 . 1 . . . . 48 . . . 5390 1 523 . 1 1 53 53 GLU N N 15 119.57 0.05 . 1 . . . . 49 . . . 5390 1 524 . 1 1 53 53 GLU H H 1 8.079 0.005 . 1 . . . . 49 . . . 5390 1 525 . 1 1 53 53 GLU CA C 13 58.017 0.05 . 1 . . . . 49 . . . 5390 1 526 . 1 1 53 53 GLU HA H 1 4.265 0.005 . 1 . . . . 49 . . . 5390 1 527 . 1 1 53 53 GLU CB C 13 30.367 0.05 . 1 . . . . 49 . . . 5390 1 528 . 1 1 53 53 GLU CG C 13 36.841 0.05 . 1 . . . . 49 . . . 5390 1 529 . 1 1 53 53 GLU HB2 H 1 2.081 0.005 . 1 . . . . 49 . . . 5390 1 530 . 1 1 53 53 GLU HG2 H 1 2.333 0.005 . 1 . . . . 49 . . . 5390 1 531 . 1 1 54 54 VAL N N 15 120.09 0.05 . 1 . . . . 50 . . . 5390 1 532 . 1 1 54 54 VAL H H 1 7.931 0.005 . 1 . . . . 50 . . . 5390 1 533 . 1 1 54 54 VAL CA C 13 63.691 0.05 . 1 . . . . 50 . . . 5390 1 534 . 1 1 54 54 VAL HA H 1 3.996 0.005 . 1 . . . . 50 . . . 5390 1 535 . 1 1 54 54 VAL CB C 13 33.111 0.05 . 1 . . . . 50 . . . 5390 1 536 . 1 1 54 54 VAL HB H 1 2.158 0.005 . 1 . . . . 50 . . . 5390 1 537 . 1 1 54 54 VAL CG1 C 13 21.713 0.05 . 2 . . . . 50 . . . 5390 1 538 . 1 1 54 54 VAL HG11 H 1 1.008 0.005 . 2 . . . . 50 . . . 5390 1 539 . 1 1 54 54 VAL HG12 H 1 1.008 0.005 . 2 . . . . 50 . . . 5390 1 540 . 1 1 54 54 VAL HG13 H 1 1.008 0.005 . 2 . . . . 50 . . . 5390 1 541 . 1 1 54 54 VAL CG2 C 13 21.711 0.05 . 2 . . . . 50 . . . 5390 1 542 . 1 1 54 54 VAL HG21 H 1 0.986 0.005 . 2 . . . . 50 . . . 5390 1 543 . 1 1 54 54 VAL HG22 H 1 0.986 0.005 . 2 . . . . 50 . . . 5390 1 544 . 1 1 54 54 VAL HG23 H 1 0.986 0.005 . 2 . . . . 50 . . . 5390 1 545 . 1 1 55 55 GLU N N 15 123.45 0.05 . 1 . . . . 51 . . . 5390 1 546 . 1 1 55 55 GLU H H 1 8.279 0.005 . 1 . . . . 51 . . . 5390 1 547 . 1 1 55 55 GLU CA C 13 58.386 0.05 . 1 . . . . 51 . . . 5390 1 548 . 1 1 55 55 GLU HA H 1 4.223 0.005 . 1 . . . . 51 . . . 5390 1 549 . 1 1 55 55 GLU CB C 13 30.545 0.05 . 1 . . . . 51 . . . 5390 1 550 . 1 1 55 55 GLU CG C 13 36.773 0.05 . 1 . . . . 51 . . . 5390 1 551 . 1 1 55 55 GLU HB2 H 1 2.047 0.005 . 1 . . . . 51 . . . 5390 1 552 . 1 1 55 55 GLU HG2 H 1 2.294 0.005 . 1 . . . . 51 . . . 5390 1 553 . 1 1 56 56 GLU N N 15 121.54 0.05 . 1 . . . . 52 . . . 5390 1 554 . 1 1 56 56 GLU H H 1 8.345 0.005 . 1 . . . . 52 . . . 5390 1 555 . 1 1 56 56 GLU CA C 13 58.186 0.05 . 1 . . . . 52 . . . 5390 1 556 . 1 1 56 56 GLU HA H 1 4.213 0.005 . 1 . . . . 52 . . . 5390 1 557 . 1 1 56 56 GLU CB C 13 30.546 0.05 . 1 . . . . 52 . . . 5390 1 558 . 1 1 56 56 GLU CG C 13 36.776 0.05 . 1 . . . . 52 . . . 5390 1 559 . 1 1 56 56 GLU HB2 H 1 2.064 0.005 . 1 . . . . 52 . . . 5390 1 560 . 1 1 56 56 GLU HG2 H 1 2.305 0.005 . 1 . . . . 52 . . . 5390 1 561 . 1 1 57 57 ARG N N 15 120.63 0.05 . 1 . . . . 53 . . . 5390 1 562 . 1 1 57 57 ARG H H 1 8.245 0.005 . 1 . . . . 53 . . . 5390 1 563 . 1 1 57 57 ARG CA C 13 57.423 0.05 . 1 . . . . 53 . . . 5390 1 564 . 1 1 57 57 ARG HA H 1 4.342 0.005 . 1 . . . . 53 . . . 5390 1 565 . 1 1 57 57 ARG CB C 13 31.105 0.05 . 1 . . . . 53 . . . 5390 1 566 . 1 1 57 57 ARG CG C 13 27.87 0.05 . 1 . . . . 53 . . . 5390 1 567 . 1 1 57 57 ARG CD C 13 43.515 0.05 . 1 . . . . 53 . . . 5390 1 568 . 1 1 57 57 ARG HB2 H 1 1.895 0.005 . 1 . . . . 53 . . . 5390 1 569 . 1 1 57 57 ARG HG2 H 1 1.699 0.005 . 1 . . . . 53 . . . 5390 1 570 . 1 1 57 57 ARG HD2 H 1 3.229 0.005 . 1 . . . . 53 . . . 5390 1 571 . 1 1 57 57 ARG HE H 1 8.235 0.005 . 1 . . . . 53 . . . 5390 1 572 . 1 1 58 58 THR N N 15 113.84 0.05 . 1 . . . . 54 . . . 5390 1 573 . 1 1 58 58 THR H H 1 8.053 0.005 . 1 . . . . 54 . . . 5390 1 574 . 1 1 58 58 THR CA C 13 62.739 0.05 . 1 . . . . 54 . . . 5390 1 575 . 1 1 58 58 THR HA H 1 4.305 0.005 . 1 . . . . 54 . . . 5390 1 576 . 1 1 58 58 THR CB C 13 70.174 0.05 . 1 . . . . 54 . . . 5390 1 577 . 1 1 58 58 THR HB H 1 4.268 0.005 . 1 . . . . 54 . . . 5390 1 578 . 1 1 58 58 THR CG2 C 13 22.25 0.05 . 1 . . . . 54 . . . 5390 1 579 . 1 1 58 58 THR HG21 H 1 1.245 0.005 . 1 . . . . 54 . . . 5390 1 580 . 1 1 58 58 THR HG22 H 1 1.245 0.005 . 1 . . . . 54 . . . 5390 1 581 . 1 1 58 58 THR HG23 H 1 1.245 0.005 . 1 . . . . 54 . . . 5390 1 582 . 1 1 59 59 ARG N N 15 123.51 0.05 . 1 . . . . 55 . . . 5390 1 583 . 1 1 59 59 ARG H H 1 8.101 0.005 . 1 . . . . 55 . . . 5390 1 584 . 1 1 59 59 ARG CA C 13 56.995 0.05 . 1 . . . . 55 . . . 5390 1 585 . 1 1 59 59 ARG HA H 1 4.342 0.005 . 1 . . . . 55 . . . 5390 1 586 . 1 1 59 59 ARG CB C 13 31.283 0.05 . 1 . . . . 55 . . . 5390 1 587 . 1 1 59 59 ARG CG C 13 27.683 0.05 . 1 . . . . 55 . . . 5390 1 588 . 1 1 59 59 ARG CD C 13 43.943 0.05 . 1 . . . . 55 . . . 5390 1 589 . 1 1 59 59 ARG HB2 H 1 1.858 0.005 . 1 . . . . 55 . . . 5390 1 590 . 1 1 59 59 ARG HG2 H 1 1.672 0.005 . 1 . . . . 55 . . . 5390 1 591 . 1 1 59 59 ARG HD2 H 1 3.222 0.005 . 1 . . . . 55 . . . 5390 1 592 . 1 1 59 59 ARG HE H 1 7.874 0.005 . 1 . . . . 55 . . . 5390 1 593 . 1 1 60 60 LYS N N 15 123.57 0.05 . 1 . . . . 56 . . . 5390 1 594 . 1 1 60 60 LYS H H 1 8.268 0.005 . 1 . . . . 56 . . . 5390 1 595 . 1 1 60 60 LYS CA C 13 56.524 0.05 . 1 . . . . 56 . . . 5390 1 596 . 1 1 60 60 LYS HA H 1 4.351 0.005 . 1 . . . . 56 . . . 5390 1 597 . 1 1 60 60 LYS CB C 13 33.397 0.05 . 1 . . . . 56 . . . 5390 1 598 . 1 1 60 60 LYS HB2 H 1 1.878 0.005 . 2 . . . . 56 . . . 5390 1 599 . 1 1 60 60 LYS HB3 H 1 1.794 0.005 . 2 . . . . 56 . . . 5390 1 600 . 1 1 60 60 LYS CG C 13 25.161 0.05 . 1 . . . . 56 . . . 5390 1 601 . 1 1 60 60 LYS CD C 13 29.613 0.05 . 1 . . . . 56 . . . 5390 1 602 . 1 1 60 60 LYS CE C 13 42.689 0.05 . 1 . . . . 56 . . . 5390 1 603 . 1 1 60 60 LYS HG2 H 1 1.469 0.005 . 1 . . . . 56 . . . 5390 1 604 . 1 1 60 60 LYS HD2 H 1 1.705 0.005 . 1 . . . . 56 . . . 5390 1 605 . 1 1 60 60 LYS HE2 H 1 3.021 0.005 . 1 . . . . 56 . . . 5390 1 606 . 1 1 61 61 LEU N N 15 129.91 0.05 . 1 . . . . 57 . . . 5390 1 607 . 1 1 61 61 LEU H H 1 7.884 0.005 . 1 . . . . 57 . . . 5390 1 608 . 1 1 61 61 LEU CA C 13 57.034 0.05 . 1 . . . . 57 . . . 5390 1 609 . 1 1 61 61 LEU HA H 1 4.198 0.005 . 1 . . . . 57 . . . 5390 1 610 . 1 1 61 61 LEU CB C 13 43.805 0.05 . 1 . . . . 57 . . . 5390 1 611 . 1 1 61 61 LEU CG C 13 27.319 0.05 . 1 . . . . 57 . . . 5390 1 612 . 1 1 61 61 LEU HG H 1 1.615 0.005 . 1 . . . . 57 . . . 5390 1 613 . 1 1 61 61 LEU CD1 C 13 25.318 0.05 . 2 . . . . 57 . . . 5390 1 614 . 1 1 61 61 LEU HD11 H 1 0.914 0.005 . 2 . . . . 57 . . . 5390 1 615 . 1 1 61 61 LEU HD12 H 1 0.914 0.005 . 2 . . . . 57 . . . 5390 1 616 . 1 1 61 61 LEU HD13 H 1 0.914 0.005 . 2 . . . . 57 . . . 5390 1 617 . 1 1 61 61 LEU CD2 C 13 23.863 0.05 . 2 . . . . 57 . . . 5390 1 618 . 1 1 61 61 LEU HD21 H 1 0.882 0.005 . 2 . . . . 57 . . . 5390 1 619 . 1 1 61 61 LEU HD22 H 1 0.882 0.005 . 2 . . . . 57 . . . 5390 1 620 . 1 1 61 61 LEU HD23 H 1 0.882 0.005 . 2 . . . . 57 . . . 5390 1 621 . 1 1 61 61 LEU HB2 H 1 1.604 0.005 . 1 . . . . 57 . . . 5390 1 stop_ save_