################################### # 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 27365 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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-1H TOCSY' . . . 27365 1 3 '2D 1H-1H COSY' . . . 27365 1 4 '2D 1H-15N HSQC' . . . 27365 1 5 '2D 1H-13C HSQC' . . . 27365 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 27365 1 2 $X-PLOR_NIH . . 27365 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET HA H 1 4.576 0.01 . . . . . . . 2 MET HA . 27365 1 2 . 1 1 2 2 MET HB2 H 1 2.164 0.01 . . . . . . . 2 MET HB1 . 27365 1 3 . 1 1 2 2 MET HG2 H 1 2.691 0.00 . . . . . . . 2 MET HG1 . 27365 1 4 . 1 1 2 2 MET HG3 H 1 2.654 0.00 . . . . . . . 2 MET HG2 . 27365 1 5 . 1 1 2 2 MET CA C 13 56.042 0.00 . . . . . . . 2 MET CA . 27365 1 6 . 1 1 2 2 MET CB C 13 33.539 0.00 . . . . . . . 2 MET CB . 27365 1 7 . 1 1 3 3 ARG H H 1 8.928 0.01 . . . . . . . 3 ARG HN . 27365 1 8 . 1 1 3 3 ARG HA H 1 4.392 0.01 . . . . . . . 3 ARG HA . 27365 1 9 . 1 1 3 3 ARG HB2 H 1 1.932 0.01 . . . . . . . 3 ARG HB1 . 27365 1 10 . 1 1 3 3 ARG HB3 H 1 1.758 0.01 . . . . . . . 3 ARG HB2 . 27365 1 11 . 1 1 3 3 ARG HG2 H 1 1.683 0.01 . . . . . . . 3 ARG HG# . 27365 1 12 . 1 1 3 3 ARG HG3 H 1 1.683 0.01 . . . . . . . 3 ARG HG# . 27365 1 13 . 1 1 3 3 ARG HD2 H 1 3.277 0.01 . . . . . . . 3 ARG HD1 . 27365 1 14 . 1 1 3 3 ARG HD3 H 1 3.251 0.00 . . . . . . . 3 ARG HD2 . 27365 1 15 . 1 1 3 3 ARG HE H 1 7.561 0.00 . . . . . . . 3 ARG HE . 27365 1 16 . 1 1 3 3 ARG CA C 13 57.315 0.00 . . . . . . . 3 ARG CA . 27365 1 17 . 1 1 3 3 ARG CB C 13 30.578 0.00 . . . . . . . 3 ARG CB . 27365 1 18 . 1 1 3 3 ARG N N 15 124.262 0.00 . . . . . . . 3 ARG N . 27365 1 19 . 1 1 3 3 ARG NE N 15 112.641 0.00 . . . . . . . 3 ARG NE . 27365 1 20 . 1 1 4 4 LEU H H 1 8.856 0.01 . . . . . . . 4 LEU HN . 27365 1 21 . 1 1 4 4 LEU HA H 1 4.223 0.01 . . . . . . . 4 LEU HA . 27365 1 22 . 1 1 4 4 LEU HB2 H 1 1.849 0.01 . . . . . . . 4 LEU HB1 . 27365 1 23 . 1 1 4 4 LEU HB3 H 1 1.673 0.01 . . . . . . . 4 LEU HB2 . 27365 1 24 . 1 1 4 4 LEU HD11 H 1 1.001 0.01 . . . . . . . 4 LEU HD1# . 27365 1 25 . 1 1 4 4 LEU HD12 H 1 1.001 0.01 . . . . . . . 4 LEU HD1# . 27365 1 26 . 1 1 4 4 LEU HD13 H 1 1.001 0.01 . . . . . . . 4 LEU HD1# . 27365 1 27 . 1 1 4 4 LEU HD21 H 1 0.913 0.01 . . . . . . . 4 LEU HD2# . 27365 1 28 . 1 1 4 4 LEU HD22 H 1 0.913 0.01 . . . . . . . 4 LEU HD2# . 27365 1 29 . 1 1 4 4 LEU HD23 H 1 0.913 0.01 . . . . . . . 4 LEU HD2# . 27365 1 30 . 1 1 4 4 LEU CA C 13 57.762 0.00 . . . . . . . 4 LEU CA . 27365 1 31 . 1 1 4 4 LEU CB C 13 42.196 0.06 . . . . . . . 4 LEU CB . 27365 1 32 . 1 1 4 4 LEU N N 15 121.408 0.00 . . . . . . . 4 LEU N . 27365 1 33 . 1 1 5 5 SER H H 1 8.436 0.01 . . . . . . . 5 SER HN . 27365 1 34 . 1 1 5 5 SER HA H 1 4.160 0.01 . . . . . . . 5 SER HA . 27365 1 35 . 1 1 5 5 SER HB2 H 1 4.031 0.01 . . . . . . . 5 SER HB1 . 27365 1 36 . 1 1 5 5 SER HB3 H 1 4.010 0.00 . . . . . . . 5 SER HB2 . 27365 1 37 . 1 1 5 5 SER CA C 13 62.023 0.00 . . . . . . . 5 SER CA . 27365 1 38 . 1 1 5 5 SER CB C 13 62.546 0.00 . . . . . . . 5 SER CB . 27365 1 39 . 1 1 5 5 SER N N 15 114.201 0.00 . . . . . . . 5 SER N . 27365 1 40 . 1 1 6 6 LYS H H 1 7.716 0.01 . . . . . . . 6 LYS HN . 27365 1 41 . 1 1 6 6 LYS HA H 1 4.042 0.01 . . . . . . . 6 LYS HA . 27365 1 42 . 1 1 6 6 LYS HB2 H 1 1.921 0.01 . . . . . . . 6 LYS HB1 . 27365 1 43 . 1 1 6 6 LYS HB3 H 1 1.870 0.01 . . . . . . . 6 LYS HB2 . 27365 1 44 . 1 1 6 6 LYS HG2 H 1 1.434 0.01 . . . . . . . 6 LYS HG# . 27365 1 45 . 1 1 6 6 LYS HG3 H 1 1.434 0.01 . . . . . . . 6 LYS HG# . 27365 1 46 . 1 1 6 6 LYS HD2 H 1 1.787 0.01 . . . . . . . 6 LYS HD# . 27365 1 47 . 1 1 6 6 LYS HD3 H 1 1.787 0.01 . . . . . . . 6 LYS HD# . 27365 1 48 . 1 1 6 6 LYS HE2 H 1 3.118 0.01 . . . . . . . 6 LYS HE# . 27365 1 49 . 1 1 6 6 LYS HE3 H 1 3.118 0.01 . . . . . . . 6 LYS HE# . 27365 1 50 . 1 1 6 6 LYS CA C 13 59.463 0.00 . . . . . . . 6 LYS CA . 27365 1 51 . 1 1 6 6 LYS CB C 13 32.572 0.00 . . . . . . . 6 LYS CB . 27365 1 52 . 1 1 6 6 LYS N N 15 122.358 0.00 . . . . . . . 6 LYS N . 27365 1 53 . 1 1 7 7 PHE H H 1 8.312 0.01 . . . . . . . 7 PHE HN . 27365 1 54 . 1 1 7 7 PHE HA H 1 4.211 0.01 . . . . . . . 7 PHE HA . 27365 1 55 . 1 1 7 7 PHE HB2 H 1 3.218 0.01 . . . . . . . 7 PHE HB# . 27365 1 56 . 1 1 7 7 PHE HB3 H 1 3.218 0.01 . . . . . . . 7 PHE HB# . 27365 1 57 . 1 1 7 7 PHE HD1 H 1 7.174 0.01 . . . . . . . 7 PHE HD# . 27365 1 58 . 1 1 7 7 PHE HD2 H 1 7.174 0.01 . . . . . . . 7 PHE HD# . 27365 1 59 . 1 1 7 7 PHE HE1 H 1 7.283 0.01 . . . . . . . 7 PHE HE# . 27365 1 60 . 1 1 7 7 PHE HE2 H 1 7.283 0.01 . . . . . . . 7 PHE HE# . 27365 1 61 . 1 1 7 7 PHE HZ H 1 7.246 0.01 . . . . . . . 7 PHE HZ . 27365 1 62 . 1 1 7 7 PHE CA C 13 61.501 0.00 . . . . . . . 7 PHE CA . 27365 1 63 . 1 1 7 7 PHE CB C 13 39.596 0.00 . . . . . . . 7 PHE CB . 27365 1 64 . 1 1 7 7 PHE N N 15 117.349 0.00 . . . . . . . 7 PHE N . 27365 1 65 . 1 1 8 8 PHE H H 1 7.989 0.01 . . . . . . . 8 PHE HN . 27365 1 66 . 1 1 8 8 PHE HA H 1 4.406 0.01 . . . . . . . 8 PHE HA . 27365 1 67 . 1 1 8 8 PHE HB2 H 1 3.259 0.01 . . . . . . . 8 PHE HB1 . 27365 1 68 . 1 1 8 8 PHE HB3 H 1 3.126 0.00 . . . . . . . 8 PHE HB2 . 27365 1 69 . 1 1 8 8 PHE HE1 H 1 7.095 0.01 . . . . . . . 8 PHE HE# . 27365 1 70 . 1 1 8 8 PHE HE2 H 1 7.095 0.01 . . . . . . . 8 PHE HE# . 27365 1 71 . 1 1 8 8 PHE HZ H 1 7.049 0.01 . . . . . . . 8 PHE HZ . 27365 1 72 . 1 1 8 8 PHE CA C 13 61.071 0.00 . . . . . . . 8 PHE CA . 27365 1 73 . 1 1 8 8 PHE CB C 13 39.180 0.03 . . . . . . . 8 PHE CB . 27365 1 74 . 1 1 8 8 PHE N N 15 118.360 0.00 . . . . . . . 8 PHE N . 27365 1 75 . 1 1 9 9 ARG H H 1 8.352 0.01 . . . . . . . 9 ARG HN . 27365 1 76 . 1 1 9 9 ARG HA H 1 3.885 0.01 . . . . . . . 9 ARG HA . 27365 1 77 . 1 1 9 9 ARG HB2 H 1 2.008 0.01 . . . . . . . 9 ARG HB1 . 27365 1 78 . 1 1 9 9 ARG HB3 H 1 1.851 0.01 . . . . . . . 9 ARG HB2 . 27365 1 79 . 1 1 9 9 ARG HG2 H 1 1.648 0.01 . . . . . . . 9 ARG HG# . 27365 1 80 . 1 1 9 9 ARG HG3 H 1 1.648 0.01 . . . . . . . 9 ARG HG# . 27365 1 81 . 1 1 9 9 ARG HD2 H 1 3.263 0.02 . . . . . . . 9 ARG HD1 . 27365 1 82 . 1 1 9 9 ARG HD3 H 1 3.256 0.00 . . . . . . . 9 ARG HD2 . 27365 1 83 . 1 1 9 9 ARG HE H 1 7.536 0.01 . . . . . . . 9 ARG HE . 27365 1 84 . 1 1 9 9 ARG CA C 13 60.204 0.00 . . . . . . . 9 ARG CA . 27365 1 85 . 1 1 9 9 ARG CB C 13 30.271 0.00 . . . . . . . 9 ARG CB . 27365 1 86 . 1 1 9 9 ARG N N 15 119.231 0.00 . . . . . . . 9 ARG N . 27365 1 87 . 1 1 9 9 ARG NE N 15 112.672 0.00 . . . . . . . 9 ARG NE . 27365 1 88 . 1 1 10 10 ASP H H 1 8.010 0.01 . . . . . . . 10 ASP HN . 27365 1 89 . 1 1 10 10 ASP HA H 1 4.270 0.01 . . . . . . . 10 ASP HA . 27365 1 90 . 1 1 10 10 ASP HB2 H 1 2.972 0.01 . . . . . . . 10 ASP HB1 . 27365 1 91 . 1 1 10 10 ASP HB3 H 1 2.804 0.01 . . . . . . . 10 ASP HB2 . 27365 1 92 . 1 1 10 10 ASP CA C 13 60.464 0.00 . . . . . . . 10 ASP CA . 27365 1 93 . 1 1 10 10 ASP CB C 13 39.804 0.01 . . . . . . . 10 ASP CB . 27365 1 94 . 1 1 11 11 PHE H H 1 8.490 0.01 . . . . . . . 11 PHE HN . 27365 1 95 . 1 1 11 11 PHE HA H 1 4.353 0.01 . . . . . . . 11 PHE HA . 27365 1 96 . 1 1 11 11 PHE HB2 H 1 2.697 0.00 . . . . . . . 11 PHE HB1 . 27365 1 97 . 1 1 11 11 PHE HB3 H 1 2.404 0.01 . . . . . . . 11 PHE HB2 . 27365 1 98 . 1 1 11 11 PHE HE1 H 1 7.132 0.01 . . . . . . . 11 PHE HE# . 27365 1 99 . 1 1 11 11 PHE HE2 H 1 7.132 0.01 . . . . . . . 11 PHE HE# . 27365 1 100 . 1 1 11 11 PHE CA C 13 57.036 0.00 . . . . . . . 11 PHE CA . 27365 1 101 . 1 1 11 11 PHE CB C 13 40.202 0.00 . . . . . . . 11 PHE CB . 27365 1 102 . 1 1 11 11 PHE N N 15 117.776 0.00 . . . . . . . 11 PHE N . 27365 1 103 . 1 1 12 12 ILE H H 1 7.756 0.01 . . . . . . . 12 ILE HN . 27365 1 104 . 1 1 12 12 ILE HA H 1 3.799 0.01 . . . . . . . 12 ILE HA . 27365 1 105 . 1 1 12 12 ILE HB H 1 1.985 0.01 . . . . . . . 12 ILE HB . 27365 1 106 . 1 1 12 12 ILE HG12 H 1 1.541 0.01 . . . . . . . 12 ILE HG11 . 27365 1 107 . 1 1 12 12 ILE HG13 H 1 1.262 0.00 . . . . . . . 12 ILE HG12 . 27365 1 108 . 1 1 12 12 ILE HG21 H 1 0.858 0.01 . . . . . . . 12 ILE HG2# . 27365 1 109 . 1 1 12 12 ILE HG22 H 1 0.858 0.01 . . . . . . . 12 ILE HG2# . 27365 1 110 . 1 1 12 12 ILE HG23 H 1 0.858 0.01 . . . . . . . 12 ILE HG2# . 27365 1 111 . 1 1 12 12 ILE HD11 H 1 0.820 0.01 . . . . . . . 12 ILE HD1# . 27365 1 112 . 1 1 12 12 ILE HD12 H 1 0.820 0.01 . . . . . . . 12 ILE HD1# . 27365 1 113 . 1 1 12 12 ILE HD13 H 1 0.820 0.01 . . . . . . . 12 ILE HD1# . 27365 1 114 . 1 1 12 12 ILE CA C 13 62.985 0.00 . . . . . . . 12 ILE CA . 27365 1 115 . 1 1 12 12 ILE CB C 13 37.553 0.00 . . . . . . . 12 ILE CB . 27365 1 116 . 1 1 12 12 ILE N N 15 116.820 0.00 . . . . . . . 12 ILE N . 27365 1 117 . 1 1 13 13 LEU H H 1 8.005 0.01 . . . . . . . 13 LEU HN . 27365 1 118 . 1 1 13 13 LEU HA H 1 4.133 0.01 . . . . . . . 13 LEU HA . 27365 1 119 . 1 1 13 13 LEU HB2 H 1 1.855 0.01 . . . . . . . 13 LEU HB1 . 27365 1 120 . 1 1 13 13 LEU HB3 H 1 1.688 0.01 . . . . . . . 13 LEU HB2 . 27365 1 121 . 1 1 13 13 LEU HG H 1 1.598 0.01 . . . . . . . 13 LEU HG . 27365 1 122 . 1 1 13 13 LEU HD11 H 1 0.954 0.01 . . . . . . . 13 LEU HD1# . 27365 1 123 . 1 1 13 13 LEU HD12 H 1 0.954 0.01 . . . . . . . 13 LEU HD1# . 27365 1 124 . 1 1 13 13 LEU HD13 H 1 0.954 0.01 . . . . . . . 13 LEU HD1# . 27365 1 125 . 1 1 13 13 LEU HD21 H 1 0.901 0.01 . . . . . . . 13 LEU HD2# . 27365 1 126 . 1 1 13 13 LEU HD22 H 1 0.901 0.01 . . . . . . . 13 LEU HD2# . 27365 1 127 . 1 1 13 13 LEU HD23 H 1 0.901 0.01 . . . . . . . 13 LEU HD2# . 27365 1 128 . 1 1 13 13 LEU CA C 13 56.692 0.00 . . . . . . . 13 LEU CA . 27365 1 129 . 1 1 13 13 LEU CB C 13 41.787 0.00 . . . . . . . 13 LEU CB . 27365 1 130 . 1 1 13 13 LEU N N 15 118.360 0.00 . . . . . . . 13 LEU N . 27365 1 131 . 1 1 14 14 GLN H H 1 7.750 0.01 . . . . . . . 14 GLN HN . 27365 1 132 . 1 1 14 14 GLN HA H 1 4.183 0.01 . . . . . . . 14 GLN HA . 27365 1 133 . 1 1 14 14 GLN HB2 H 1 2.104 0.00 . . . . . . . 14 GLN HB1 . 27365 1 134 . 1 1 14 14 GLN HB3 H 1 2.016 0.01 . . . . . . . 14 GLN HB2 . 27365 1 135 . 1 1 14 14 GLN HG2 H 1 2.364 0.01 . . . . . . . 14 GLN HG1 . 27365 1 136 . 1 1 14 14 GLN HG3 H 1 2.328 0.01 . . . . . . . 14 GLN HG2 . 27365 1 137 . 1 1 14 14 GLN HE21 H 1 7.495 0.00 . . . . . . . 14 GLN HE21 . 27365 1 138 . 1 1 14 14 GLN HE22 H 1 7.488 0.01 . . . . . . . 14 GLN HE22 . 27365 1 139 . 1 1 14 14 GLN CA C 13 56.368 0.00 . . . . . . . 14 GLN CA . 27365 1 140 . 1 1 14 14 GLN CB C 13 28.557 0.00 . . . . . . . 14 GLN CB . 27365 1 141 . 1 1 14 14 GLN N N 15 116.640 0.00 . . . . . . . 14 GLN N . 27365 1 142 . 1 1 14 14 GLN NE2 N 15 112.058 0.00 . . . . . . . 14 GLN NE2 . 27365 1 143 . 1 1 15 15 ARG H H 1 7.721 0.01 . . . . . . . 15 ARG HN . 27365 1 144 . 1 1 15 15 ARG HA H 1 4.219 0.01 . . . . . . . 15 ARG HA . 27365 1 145 . 1 1 15 15 ARG HB2 H 1 1.839 0.01 . . . . . . . 15 ARG HB1 . 27365 1 146 . 1 1 15 15 ARG HB3 H 1 1.700 0.00 . . . . . . . 15 ARG HB2 . 27365 1 147 . 1 1 15 15 ARG HG2 H 1 1.569 0.01 . . . . . . . 15 ARG HG1 . 27365 1 148 . 1 1 15 15 ARG HG3 H 1 1.536 0.01 . . . . . . . 15 ARG HG2 . 27365 1 149 . 1 1 15 15 ARG HD2 H 1 3.067 0.01 . . . . . . . 15 ARG HD1 . 27365 1 150 . 1 1 15 15 ARG HD3 H 1 3.043 0.01 . . . . . . . 15 ARG HD2 . 27365 1 151 . 1 1 15 15 ARG HE H 1 7.480 0.01 . . . . . . . 15 ARG HE . 27365 1 152 . 1 1 15 15 ARG CA C 13 56.266 0.00 . . . . . . . 15 ARG CA . 27365 1 153 . 1 1 15 15 ARG CB C 13 30.578 0.02 . . . . . . . 15 ARG CB . 27365 1 154 . 1 1 15 15 ARG N N 15 119.563 0.00 . . . . . . . 15 ARG N . 27365 1 155 . 1 1 15 15 ARG NE N 15 112.551 0.00 . . . . . . . 15 ARG NE . 27365 1 156 . 1 1 16 16 LYS H H 1 8.119 0.01 . . . . . . . 16 LYS HN . 27365 1 157 . 1 1 16 16 LYS HA H 1 4.295 0.01 . . . . . . . 16 LYS HA . 27365 1 158 . 1 1 16 16 LYS HB2 H 1 1.883 0.01 . . . . . . . 16 LYS HB1 . 27365 1 159 . 1 1 16 16 LYS HB3 H 1 1.753 0.01 . . . . . . . 16 LYS HB2 . 27365 1 160 . 1 1 16 16 LYS HG2 H 1 1.468 0.01 . . . . . . . 16 LYS HG# . 27365 1 161 . 1 1 16 16 LYS HG3 H 1 1.468 0.01 . . . . . . . 16 LYS HG# . 27365 1 162 . 1 1 16 16 LYS HD2 H 1 1.685 0.01 . . . . . . . 16 LYS HD# . 27365 1 163 . 1 1 16 16 LYS HD3 H 1 1.685 0.01 . . . . . . . 16 LYS HD# . 27365 1 164 . 1 1 16 16 LYS CA C 13 56.395 0.00 . . . . . . . 16 LYS CA . 27365 1 165 . 1 1 16 16 LYS CB C 13 33.041 0.05 . . . . . . . 16 LYS CB . 27365 1 166 . 1 1 16 16 LYS N N 15 122.108 0.00 . . . . . . . 16 LYS N . 27365 1 167 . 1 1 17 17 LYS H H 1 7.875 0.01 . . . . . . . 17 LYS HN . 27365 1 168 . 1 1 17 17 LYS HA H 1 4.125 0.01 . . . . . . . 17 LYS HA . 27365 1 169 . 1 1 17 17 LYS HB2 H 1 1.821 0.00 . . . . . . . 17 LYS HB1 . 27365 1 170 . 1 1 17 17 LYS HB3 H 1 1.724 0.01 . . . . . . . 17 LYS HB2 . 27365 1 171 . 1 1 17 17 LYS HG2 H 1 1.409 0.01 . . . . . . . 17 LYS HG# . 27365 1 172 . 1 1 17 17 LYS HG3 H 1 1.409 0.01 . . . . . . . 17 LYS HG# . 27365 1 173 . 1 1 17 17 LYS HD2 H 1 1.686 0.00 . . . . . . . 17 LYS HD# . 27365 1 174 . 1 1 17 17 LYS HD3 H 1 1.686 0.00 . . . . . . . 17 LYS HD# . 27365 1 175 . 1 1 17 17 LYS HE2 H 1 2.995 0.00 . . . . . . . 17 LYS HE# . 27365 1 176 . 1 1 17 17 LYS HE3 H 1 2.995 0.00 . . . . . . . 17 LYS HE# . 27365 1 177 . 1 1 17 17 LYS CA C 13 55.505 0.00 . . . . . . . 17 LYS CA . 27365 1 178 . 1 1 17 17 LYS CB C 13 33.687 0.00 . . . . . . . 17 LYS CB . 27365 1 179 . 1 1 17 17 LYS N N 15 127.886 0.00 . . . . . . . 17 LYS N . 27365 1 stop_ save_