################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51537 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list 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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 'Chemical shifts at 298K' _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 DQF-COSY' . . . 51537 1 2 '2D 1H-1H TOCSY' . . . 51537 1 3 '2D 1H-1H NOESY' . . . 51537 1 4 '2D 1H-13C HSQC aliphatic' . . . 51537 1 5 '2D 1H-13C HSQC aromatic' . . . 51537 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 $software_1 . . 51537 1 2 $software_2 . . 51537 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 PHE HA H 1 4.506 0.002 . 1 . . . . . 1 PHE HA . 51537 1 2 . 1 . 1 1 1 PHE HB2 H 1 3.263 0.002 . 2 . . . . . 1 PHE HB2 . 51537 1 3 . 1 . 1 1 1 PHE HB3 H 1 3.263 0.002 . 2 . . . . . 1 PHE HB3 . 51537 1 4 . 1 . 1 1 1 PHE HD1 H 1 7.476 0.002 . 1 . . . . . 1 PHE HD1 . 51537 1 5 . 1 . 1 1 1 PHE HD2 H 1 7.476 0.002 . 1 . . . . . 1 PHE HD2 . 51537 1 6 . 1 . 1 1 1 PHE HE1 H 1 7.343 0.002 . 1 . . . . . 1 PHE HE1 . 51537 1 7 . 1 . 1 1 1 PHE HE2 H 1 7.343 0.002 . 1 . . . . . 1 PHE HE2 . 51537 1 8 . 1 . 1 1 1 PHE HZ H 1 7.264 0.003 . 1 . . . . . 1 PHE HZ . 51537 1 9 . 1 . 1 1 1 PHE CA C 13 56.076 0.000 . 1 . . . . . 1 PHE CA . 51537 1 10 . 1 . 1 1 1 PHE CB C 13 39.238 0.000 . 1 . . . . . 1 PHE CB . 51537 1 11 . 1 . 1 1 1 PHE CD1 C 13 132.667 0.000 . 1 . . . . . 1 PHE CD1 . 51537 1 12 . 1 . 1 1 1 PHE CD2 C 13 132.667 0.000 . 1 . . . . . 1 PHE CD2 . 51537 1 13 . 1 . 1 1 1 PHE CE1 C 13 131.650 0.000 . 1 . . . . . 1 PHE CE1 . 51537 1 14 . 1 . 1 1 1 PHE CE2 C 13 131.650 0.000 . 1 . . . . . 1 PHE CE2 . 51537 1 15 . 1 . 1 1 1 PHE CZ C 13 130.223 0.000 . 1 . . . . . 1 PHE CZ . 51537 1 16 . 1 . 1 2 2 PRO HA H 1 4.514 0.004 . 1 . . . . . 2 PRO HA . 51537 1 17 . 1 . 1 2 2 PRO HB2 H 1 1.844 0.004 . 2 . . . . . 2 PRO HB2 . 51537 1 18 . 1 . 1 2 2 PRO HB3 H 1 2.270 0.004 . 2 . . . . . 2 PRO HB3 . 51537 1 19 . 1 . 1 2 2 PRO HG2 H 1 1.736 0.003 . 2 . . . . . 2 PRO HG2 . 51537 1 20 . 1 . 1 2 2 PRO HG3 H 1 1.906 0.002 . 2 . . . . . 2 PRO HG3 . 51537 1 21 . 1 . 1 2 2 PRO HD2 H 1 2.756 0.008 . 2 . . . . . 2 PRO HD2 . 51537 1 22 . 1 . 1 2 2 PRO HD3 H 1 3.599 0.003 . 2 . . . . . 2 PRO HD3 . 51537 1 23 . 1 . 1 2 2 PRO CA C 13 63.817 0.000 . 1 . . . . . 2 PRO CA . 51537 1 24 . 1 . 1 2 2 PRO CB C 13 32.003 0.008 . 1 . . . . . 2 PRO CB . 51537 1 25 . 1 . 1 2 2 PRO CG C 13 27.458 0.013 . 1 . . . . . 2 PRO CG . 51537 1 26 . 1 . 1 2 2 PRO CD C 13 50.438 0.016 . 1 . . . . . 2 PRO CD . 51537 1 27 . 1 . 1 3 3 ILE H H 1 7.757 0.005 . 1 . . . . . 3 ILE H . 51537 1 28 . 1 . 1 3 3 ILE HA H 1 4.361 0.002 . 1 . . . . . 3 ILE HA . 51537 1 29 . 1 . 1 3 3 ILE HB H 1 1.907 0.005 . 1 . . . . . 3 ILE HB . 51537 1 30 . 1 . 1 3 3 ILE HG12 H 1 1.177 0.006 . 2 . . . . . 3 ILE HG12 . 51537 1 31 . 1 . 1 3 3 ILE HG13 H 1 1.517 0.001 . 2 . . . . . 3 ILE HG13 . 51537 1 32 . 1 . 1 3 3 ILE HG21 H 1 0.949 0.004 . 1 . . . . . 3 ILE QG2 . 51537 1 33 . 1 . 1 3 3 ILE HG22 H 1 0.949 0.004 . 1 . . . . . 3 ILE QG2 . 51537 1 34 . 1 . 1 3 3 ILE HG23 H 1 0.949 0.004 . 1 . . . . . 3 ILE QG2 . 51537 1 35 . 1 . 1 3 3 ILE HD11 H 1 0.889 0.005 . 1 . . . . . 3 ILE QD1 . 51537 1 36 . 1 . 1 3 3 ILE HD12 H 1 0.889 0.005 . 1 . . . . . 3 ILE QD1 . 51537 1 37 . 1 . 1 3 3 ILE HD13 H 1 0.889 0.005 . 1 . . . . . 3 ILE QD1 . 51537 1 38 . 1 . 1 3 3 ILE CA C 13 60.755 0.000 . 1 . . . . . 3 ILE CA . 51537 1 39 . 1 . 1 3 3 ILE CB C 13 39.718 0.000 . 1 . . . . . 3 ILE CB . 51537 1 40 . 1 . 1 3 3 ILE CG1 C 13 27.459 0.007 . 1 . . . . . 3 ILE CG1 . 51537 1 41 . 1 . 1 3 3 ILE CG2 C 13 17.913 0.000 . 1 . . . . . 3 ILE CG2 . 51537 1 42 . 1 . 1 3 3 ILE CD1 C 13 13.420 0.000 . 1 . . . . . 3 ILE CD1 . 51537 1 43 . 1 . 1 4 4 THR H H 1 8.210 0.001 . 1 . . . . . 4 THR H . 51537 1 44 . 1 . 1 4 4 THR HA H 1 4.430 0.002 . 1 . . . . . 4 THR HA . 51537 1 45 . 1 . 1 4 4 THR HB H 1 4.211 0.002 . 1 . . . . . 4 THR HB . 51537 1 46 . 1 . 1 4 4 THR HG21 H 1 1.194 0.002 . 1 . . . . . 4 THR QG2 . 51537 1 47 . 1 . 1 4 4 THR HG22 H 1 1.194 0.002 . 1 . . . . . 4 THR QG2 . 51537 1 48 . 1 . 1 4 4 THR HG23 H 1 1.194 0.002 . 1 . . . . . 4 THR QG2 . 51537 1 49 . 1 . 1 4 4 THR CA C 13 61.726 0.000 . 1 . . . . . 4 THR CA . 51537 1 50 . 1 . 1 4 4 THR CB C 13 69.810 0.000 . 1 . . . . . 4 THR CB . 51537 1 51 . 1 . 1 4 4 THR CG2 C 13 21.665 0.000 . 1 . . . . . 4 THR CG2 . 51537 1 52 . 1 . 1 5 5 VAL H H 1 8.167 0.001 . 1 . . . . . 5 VAL H . 51537 1 53 . 1 . 1 5 5 VAL HA H 1 4.119 0.002 . 1 . . . . . 5 VAL HA . 51537 1 54 . 1 . 1 5 5 VAL HB H 1 2.114 0.007 . 1 . . . . . 5 VAL HB . 51537 1 55 . 1 . 1 5 5 VAL HG11 H 1 0.942 0.000 . 2 . . . . . 5 VAL QG1 . 51537 1 56 . 1 . 1 5 5 VAL HG12 H 1 0.942 0.000 . 2 . . . . . 5 VAL QG1 . 51537 1 57 . 1 . 1 5 5 VAL HG13 H 1 0.942 0.000 . 2 . . . . . 5 VAL QG1 . 51537 1 58 . 1 . 1 5 5 VAL HG21 H 1 0.953 0.003 . 2 . . . . . 5 VAL QG2 . 51537 1 59 . 1 . 1 5 5 VAL HG22 H 1 0.953 0.003 . 2 . . . . . 5 VAL QG2 . 51537 1 60 . 1 . 1 5 5 VAL HG23 H 1 0.953 0.003 . 2 . . . . . 5 VAL QG2 . 51537 1 61 . 1 . 1 5 5 VAL CA C 13 62.700 0.000 . 1 . . . . . 5 VAL CA . 51537 1 62 . 1 . 1 5 5 VAL CB C 13 32.896 0.000 . 1 . . . . . 5 VAL CB . 51537 1 63 . 1 . 1 5 5 VAL CG1 C 13 20.911 0.000 . 1 . . . . . 5 VAL CG1 . 51537 1 64 . 1 . 1 5 5 VAL CG2 C 13 20.898 0.000 . 1 . . . . . 5 VAL CG2 . 51537 1 65 . 1 . 1 6 6 GLY H H 1 8.444 0.001 . 1 . . . . . 6 GLY H . 51537 1 66 . 1 . 1 6 6 GLY HA2 H 1 3.870 0.004 . 2 . . . . . 6 GLY HA2 . 51537 1 67 . 1 . 1 6 6 GLY HA3 H 1 3.998 0.005 . 2 . . . . . 6 GLY HA3 . 51537 1 68 . 1 . 1 6 6 GLY CA C 13 45.572 0.001 . 1 . . . . . 6 GLY CA . 51537 1 69 . 1 . 1 7 7 ILE H H 1 7.819 0.002 . 1 . . . . . 7 ILE H . 51537 1 70 . 1 . 1 7 7 ILE HA H 1 4.182 0.003 . 1 . . . . . 7 ILE HA . 51537 1 71 . 1 . 1 7 7 ILE HB H 1 1.867 0.001 . 1 . . . . . 7 ILE HB . 51537 1 72 . 1 . 1 7 7 ILE HG12 H 1 1.194 0.000 . 2 . . . . . 7 ILE HG12 . 51537 1 73 . 1 . 1 7 7 ILE HG13 H 1 1.472 0.004 . 2 . . . . . 7 ILE HG13 . 51537 1 74 . 1 . 1 7 7 ILE HG21 H 1 0.891 0.003 . 1 . . . . . 7 ILE QG2 . 51537 1 75 . 1 . 1 7 7 ILE HG22 H 1 0.891 0.003 . 1 . . . . . 7 ILE QG2 . 51537 1 76 . 1 . 1 7 7 ILE HG23 H 1 0.891 0.003 . 1 . . . . . 7 ILE QG2 . 51537 1 77 . 1 . 1 7 7 ILE HD11 H 1 0.885 0.000 . 1 . . . . . 7 ILE QD1 . 51537 1 78 . 1 . 1 7 7 ILE HD12 H 1 0.885 0.000 . 1 . . . . . 7 ILE QD1 . 51537 1 79 . 1 . 1 7 7 ILE HD13 H 1 0.885 0.000 . 1 . . . . . 7 ILE QD1 . 51537 1 80 . 1 . 1 7 7 ILE CA C 13 61.231 0.000 . 1 . . . . . 7 ILE CA . 51537 1 81 . 1 . 1 7 7 ILE CB C 13 39.097 0.000 . 1 . . . . . 7 ILE CB . 51537 1 82 . 1 . 1 7 7 ILE CG1 C 13 27.518 0.007 . 1 . . . . . 7 ILE CG1 . 51537 1 83 . 1 . 1 7 7 ILE CG2 C 13 17.736 0.000 . 1 . . . . . 7 ILE CG2 . 51537 1 84 . 1 . 1 7 7 ILE CD1 C 13 13.420 0.000 . 1 . . . . . 7 ILE CD1 . 51537 1 85 . 1 . 1 8 8 VAL H H 1 7.953 0.001 . 1 . . . . . 8 VAL H . 51537 1 86 . 1 . 1 8 8 VAL HA H 1 4.107 0.002 . 1 . . . . . 8 VAL HA . 51537 1 87 . 1 . 1 8 8 VAL HB H 1 2.075 0.004 . 1 . . . . . 8 VAL HB . 51537 1 88 . 1 . 1 8 8 VAL HG11 H 1 0.914 0.005 . 2 . . . . . 8 VAL QG1 . 51537 1 89 . 1 . 1 8 8 VAL HG12 H 1 0.914 0.005 . 2 . . . . . 8 VAL QG1 . 51537 1 90 . 1 . 1 8 8 VAL HG13 H 1 0.914 0.005 . 2 . . . . . 8 VAL QG1 . 51537 1 91 . 1 . 1 8 8 VAL HG21 H 1 0.938 0.007 . 2 . . . . . 8 VAL QG2 . 51537 1 92 . 1 . 1 8 8 VAL HG22 H 1 0.938 0.007 . 2 . . . . . 8 VAL QG2 . 51537 1 93 . 1 . 1 8 8 VAL HG23 H 1 0.938 0.007 . 2 . . . . . 8 VAL QG2 . 51537 1 94 . 1 . 1 8 8 VAL CA C 13 62.417 0.000 . 1 . . . . . 8 VAL CA . 51537 1 95 . 1 . 1 8 8 VAL CB C 13 32.910 0.000 . 1 . . . . . 8 VAL CB . 51537 1 96 . 1 . 1 8 8 VAL CG1 C 13 21.347 0.000 . 1 . . . . . 8 VAL CG1 . 51537 1 97 . 1 . 1 8 8 VAL CG2 C 13 21.476 0.000 . 1 . . . . . 8 VAL CG2 . 51537 1 98 . 1 . 1 9 9 MET H H 1 8.523 0.026 . 1 . . . . . 9 MET H . 51537 1 99 . 1 . 1 9 9 MET HA H 1 4.681 0.006 . 1 . . . . . 9 MET HA . 51537 1 100 . 1 . 1 9 9 MET HB2 H 1 2.015 0.002 . 2 . . . . . 9 MET HB2 . 51537 1 101 . 1 . 1 9 9 MET HB3 H 1 2.079 0.003 . 2 . . . . . 9 MET HB3 . 51537 1 102 . 1 . 1 9 9 MET HG2 H 1 2.563 0.003 . 2 . . . . . 9 MET HG2 . 51537 1 103 . 1 . 1 9 9 MET HG3 H 1 2.612 0.002 . 2 . . . . . 9 MET HG3 . 51537 1 104 . 1 . 1 9 9 MET HE1 H 1 2.059 0.000 . 1 . . . . . 9 MET HE# . 51537 1 105 . 1 . 1 9 9 MET HE2 H 1 2.059 0.000 . 1 . . . . . 9 MET HE# . 51537 1 106 . 1 . 1 9 9 MET HE3 H 1 2.059 0.000 . 1 . . . . . 9 MET HE# . 51537 1 107 . 1 . 1 9 9 MET CB C 13 32.247 0.022 . 1 . . . . . 9 MET CB . 51537 1 108 . 1 . 1 9 9 MET CG C 13 32.463 0.003 . 1 . . . . . 9 MET CG . 51537 1 109 . 1 . 1 9 9 MET CE C 13 17.395 0.000 . 1 . . . . . 9 MET CE . 51537 1 110 . 1 . 1 10 10 PRO HA H 1 4.474 0.004 . 1 . . . . . 10 PRO HA . 51537 1 111 . 1 . 1 10 10 PRO HB2 H 1 1.971 0.003 . 2 . . . . . 10 PRO HB2 . 51537 1 112 . 1 . 1 10 10 PRO HB3 H 1 2.259 0.003 . 2 . . . . . 10 PRO HB3 . 51537 1 113 . 1 . 1 10 10 PRO HG2 H 1 1.964 0.000 . 2 . . . . . 10 PRO HG2 . 51537 1 114 . 1 . 1 10 10 PRO HG3 H 1 2.083 0.003 . 2 . . . . . 10 PRO HG3 . 51537 1 115 . 1 . 1 10 10 PRO HD2 H 1 3.692 0.002 . 2 . . . . . 10 PRO HD2 . 51537 1 116 . 1 . 1 10 10 PRO HD3 H 1 3.897 0.001 . 2 . . . . . 10 PRO HD3 . 51537 1 117 . 1 . 1 10 10 PRO CA C 13 63.760 0.000 . 1 . . . . . 10 PRO CA . 51537 1 118 . 1 . 1 10 10 PRO CB C 13 31.614 0.014 . 1 . . . . . 10 PRO CB . 51537 1 119 . 1 . 1 10 10 PRO CG C 13 27.809 0.002 . 1 . . . . . 10 PRO CG . 51537 1 120 . 1 . 1 10 10 PRO CD C 13 50.632 0.000 . 1 . . . . . 10 PRO CD . 51537 1 121 . 1 . 1 11 11 LYS H H 1 8.389 0.003 . 1 . . . . . 11 LYS H . 51537 1 122 . 1 . 1 11 11 LYS HA H 1 4.023 0.003 . 1 . . . . . 11 LYS HA . 51537 1 123 . 1 . 1 11 11 LYS HB2 H 1 1.771 0.002 . 2 . . . . . 11 LYS HB2 . 51537 1 124 . 1 . 1 11 11 LYS HB3 H 1 1.824 0.005 . 2 . . . . . 11 LYS HB3 . 51537 1 125 . 1 . 1 11 11 LYS HG2 H 1 1.413 0.004 . 2 . . . . . 11 LYS HG2 . 51537 1 126 . 1 . 1 11 11 LYS HG3 H 1 1.543 0.002 . 2 . . . . . 11 LYS HG3 . 51537 1 127 . 1 . 1 11 11 LYS HD2 H 1 1.687 0.007 . 2 . . . . . 11 LYS HD2 . 51537 1 128 . 1 . 1 11 11 LYS HD3 H 1 1.687 0.007 . 2 . . . . . 11 LYS HD3 . 51537 1 129 . 1 . 1 11 11 LYS HE2 H 1 2.970 0.002 . 2 . . . . . 11 LYS HE2 . 51537 1 130 . 1 . 1 11 11 LYS HE3 H 1 2.970 0.002 . 2 . . . . . 11 LYS HE3 . 51537 1 131 . 1 . 1 11 11 LYS CA C 13 58.831 0.000 . 1 . . . . . 11 LYS CA . 51537 1 132 . 1 . 1 11 11 LYS CB C 13 32.916 0.005 . 1 . . . . . 11 LYS CB . 51537 1 133 . 1 . 1 11 11 LYS CG C 13 25.431 0.009 . 1 . . . . . 11 LYS CG . 51537 1 134 . 1 . 1 11 11 LYS CD C 13 29.291 0.000 . 1 . . . . . 11 LYS CD . 51537 1 135 . 1 . 1 11 11 LYS CE C 13 42.085 0.000 . 1 . . . . . 11 LYS CE . 51537 1 136 . 1 . 1 12 12 LYS H H 1 8.345 0.001 . 1 . . . . . 12 LYS H . 51537 1 137 . 1 . 1 12 12 LYS HA H 1 4.094 0.003 . 1 . . . . . 12 LYS HA . 51537 1 138 . 1 . 1 12 12 LYS HB2 H 1 1.760 0.006 . 2 . . . . . 12 LYS HB2 . 51537 1 139 . 1 . 1 12 12 LYS HB3 H 1 1.821 0.006 . 2 . . . . . 12 LYS HB3 . 51537 1 140 . 1 . 1 12 12 LYS HG2 H 1 1.274 0.002 . 2 . . . . . 12 LYS HG2 . 51537 1 141 . 1 . 1 12 12 LYS HG3 H 1 1.364 0.006 . 2 . . . . . 12 LYS HG3 . 51537 1 142 . 1 . 1 12 12 LYS HD2 H 1 1.644 0.006 . 2 . . . . . 12 LYS HD2 . 51537 1 143 . 1 . 1 12 12 LYS HD3 H 1 1.644 0.006 . 2 . . . . . 12 LYS HD3 . 51537 1 144 . 1 . 1 12 12 LYS HE2 H 1 2.908 0.004 . 2 . . . . . 12 LYS HE2 . 51537 1 145 . 1 . 1 12 12 LYS HE3 H 1 2.908 0.004 . 2 . . . . . 12 LYS HE3 . 51537 1 146 . 1 . 1 12 12 LYS HZ1 H 1 7.624 0.004 . 1 . . . . . 12 LYS HZ1 . 51537 1 147 . 1 . 1 12 12 LYS HZ2 H 1 7.624 0.004 . 1 . . . . . 12 LYS HZ2 . 51537 1 148 . 1 . 1 12 12 LYS HZ3 H 1 7.624 0.004 . 1 . . . . . 12 LYS HZ3 . 51537 1 149 . 1 . 1 12 12 LYS CA C 13 58.339 0.000 . 1 . . . . . 12 LYS CA . 51537 1 150 . 1 . 1 12 12 LYS CB C 13 32.611 0.016 . 1 . . . . . 12 LYS CB . 51537 1 151 . 1 . 1 12 12 LYS CG C 13 25.076 0.001 . 1 . . . . . 12 LYS CG . 51537 1 152 . 1 . 1 12 12 LYS CD C 13 29.309 0.000 . 1 . . . . . 12 LYS CD . 51537 1 153 . 1 . 1 12 12 LYS CE C 13 42.050 0.000 . 1 . . . . . 12 LYS CE . 51537 1 154 . 1 . 1 13 13 PHE H H 1 7.996 0.004 . 1 . . . . . 13 PHE H . 51537 1 155 . 1 . 1 13 13 PHE HA H 1 4.445 0.002 . 1 . . . . . 13 PHE HA . 51537 1 156 . 1 . 1 13 13 PHE HB2 H 1 3.135 0.003 . 2 . . . . . 13 PHE HB2 . 51537 1 157 . 1 . 1 13 13 PHE HB3 H 1 3.135 0.003 . 2 . . . . . 13 PHE HB3 . 51537 1 158 . 1 . 1 13 13 PHE HD1 H 1 7.196 0.002 . 1 . . . . . 13 PHE HD1 . 51537 1 159 . 1 . 1 13 13 PHE HD2 H 1 7.196 0.002 . 1 . . . . . 13 PHE HD2 . 51537 1 160 . 1 . 1 13 13 PHE HE1 H 1 7.295 0.003 . 1 . . . . . 13 PHE HE1 . 51537 1 161 . 1 . 1 13 13 PHE HE2 H 1 7.295 0.003 . 1 . . . . . 13 PHE HE2 . 51537 1 162 . 1 . 1 13 13 PHE HZ H 1 7.247 0.002 . 1 . . . . . 13 PHE HZ . 51537 1 163 . 1 . 1 13 13 PHE CA C 13 59.478 0.000 . 1 . . . . . 13 PHE CA . 51537 1 164 . 1 . 1 13 13 PHE CB C 13 39.596 0.000 . 1 . . . . . 13 PHE CB . 51537 1 165 . 1 . 1 13 13 PHE CD1 C 13 131.607 0.000 . 1 . . . . . 13 PHE CD1 . 51537 1 166 . 1 . 1 13 13 PHE CD2 C 13 131.607 0.000 . 1 . . . . . 13 PHE CD2 . 51537 1 167 . 1 . 1 13 13 PHE CE1 C 13 131.298 0.000 . 1 . . . . . 13 PHE CE1 . 51537 1 168 . 1 . 1 13 13 PHE CE2 C 13 131.298 0.000 . 1 . . . . . 13 PHE CE2 . 51537 1 169 . 1 . 1 13 13 PHE CZ C 13 129.752 0.000 . 1 . . . . . 13 PHE CZ . 51537 1 170 . 1 . 1 14 14 ILE H H 1 7.986 0.001 . 1 . . . . . 14 ILE H . 51537 1 171 . 1 . 1 14 14 ILE HA H 1 3.768 0.002 . 1 . . . . . 14 ILE HA . 51537 1 172 . 1 . 1 14 14 ILE HB H 1 1.892 0.005 . 1 . . . . . 14 ILE HB . 51537 1 173 . 1 . 1 14 14 ILE HG12 H 1 1.212 0.005 . 2 . . . . . 14 ILE HG12 . 51537 1 174 . 1 . 1 14 14 ILE HG13 H 1 1.611 0.003 . 2 . . . . . 14 ILE HG13 . 51537 1 175 . 1 . 1 14 14 ILE HG21 H 1 0.902 0.002 . 1 . . . . . 14 ILE QG2 . 51537 1 176 . 1 . 1 14 14 ILE HG22 H 1 0.902 0.002 . 1 . . . . . 14 ILE QG2 . 51537 1 177 . 1 . 1 14 14 ILE HG23 H 1 0.902 0.002 . 1 . . . . . 14 ILE QG2 . 51537 1 178 . 1 . 1 14 14 ILE HD11 H 1 0.852 0.004 . 1 . . . . . 14 ILE QD1 . 51537 1 179 . 1 . 1 14 14 ILE HD12 H 1 0.852 0.004 . 1 . . . . . 14 ILE QD1 . 51537 1 180 . 1 . 1 14 14 ILE HD13 H 1 0.852 0.004 . 1 . . . . . 14 ILE QD1 . 51537 1 181 . 1 . 1 14 14 ILE CA C 13 63.126 0.000 . 1 . . . . . 14 ILE CA . 51537 1 182 . 1 . 1 14 14 ILE CB C 13 37.982 0.000 . 1 . . . . . 14 ILE CB . 51537 1 183 . 1 . 1 14 14 ILE CG1 C 13 28.470 0.005 . 1 . . . . . 14 ILE CG1 . 51537 1 184 . 1 . 1 14 14 ILE CG2 C 13 17.723 0.000 . 1 . . . . . 14 ILE CG2 . 51537 1 185 . 1 . 1 14 14 ILE CD1 C 13 12.869 0.000 . 1 . . . . . 14 ILE CD1 . 51537 1 186 . 1 . 1 15 15 LYS H H 1 8.024 0.002 . 1 . . . . . 15 LYS H . 51537 1 187 . 1 . 1 15 15 LYS HA H 1 4.029 0.002 . 1 . . . . . 15 LYS HA . 51537 1 188 . 1 . 1 15 15 LYS HB2 H 1 1.824 0.002 . 2 . . . . . 15 LYS HB2 . 51537 1 189 . 1 . 1 15 15 LYS HB3 H 1 1.824 0.002 . 2 . . . . . 15 LYS HB3 . 51537 1 190 . 1 . 1 15 15 LYS HG2 H 1 1.411 0.000 . 2 . . . . . 15 LYS HG2 . 51537 1 191 . 1 . 1 15 15 LYS HG3 H 1 1.522 0.002 . 2 . . . . . 15 LYS HG3 . 51537 1 192 . 1 . 1 15 15 LYS HD2 H 1 1.681 0.005 . 2 . . . . . 15 LYS HD2 . 51537 1 193 . 1 . 1 15 15 LYS HD3 H 1 1.681 0.005 . 2 . . . . . 15 LYS HD3 . 51537 1 194 . 1 . 1 15 15 LYS HE2 H 1 2.972 0.001 . 2 . . . . . 15 LYS HE2 . 51537 1 195 . 1 . 1 15 15 LYS HE3 H 1 2.972 0.001 . 2 . . . . . 15 LYS HE3 . 51537 1 196 . 1 . 1 15 15 LYS HZ1 H 1 7.670 0.000 . 1 . . . . . 15 LYS HZ1 . 51537 1 197 . 1 . 1 15 15 LYS HZ2 H 1 7.670 0.000 . 1 . . . . . 15 LYS HZ2 . 51537 1 198 . 1 . 1 15 15 LYS HZ3 H 1 7.670 0.000 . 1 . . . . . 15 LYS HZ3 . 51537 1 199 . 1 . 1 15 15 LYS CA C 13 58.460 0.000 . 1 . . . . . 15 LYS CA . 51537 1 200 . 1 . 1 15 15 LYS CB C 13 32.660 0.000 . 1 . . . . . 15 LYS CB . 51537 1 201 . 1 . 1 15 15 LYS CG C 13 25.211 0.033 . 1 . . . . . 15 LYS CG . 51537 1 202 . 1 . 1 15 15 LYS CD C 13 29.279 0.000 . 1 . . . . . 15 LYS CD . 51537 1 203 . 1 . 1 15 15 LYS CE C 13 42.091 0.000 . 1 . . . . . 15 LYS CE . 51537 1 204 . 1 . 1 16 16 LYS H H 1 7.794 0.004 . 1 . . . . . 16 LYS H . 51537 1 205 . 1 . 1 16 16 LYS HA H 1 4.134 0.004 . 1 . . . . . 16 LYS HA . 51537 1 206 . 1 . 1 16 16 LYS HB2 H 1 1.836 0.003 . 2 . . . . . 16 LYS HB2 . 51537 1 207 . 1 . 1 16 16 LYS HB3 H 1 1.836 0.003 . 2 . . . . . 16 LYS HB3 . 51537 1 208 . 1 . 1 16 16 LYS HG2 H 1 1.413 0.002 . 2 . . . . . 16 LYS HG2 . 51537 1 209 . 1 . 1 16 16 LYS HG3 H 1 1.508 0.010 . 2 . . . . . 16 LYS HG3 . 51537 1 210 . 1 . 1 16 16 LYS HD2 H 1 1.673 0.004 . 2 . . . . . 16 LYS HD2 . 51537 1 211 . 1 . 1 16 16 LYS HD3 H 1 1.673 0.004 . 2 . . . . . 16 LYS HD3 . 51537 1 212 . 1 . 1 16 16 LYS HE2 H 1 2.938 0.002 . 2 . . . . . 16 LYS HE2 . 51537 1 213 . 1 . 1 16 16 LYS HE3 H 1 2.938 0.002 . 2 . . . . . 16 LYS HE3 . 51537 1 214 . 1 . 1 16 16 LYS HZ1 H 1 7.705 0.005 . 1 . . . . . 16 LYS HZ1 . 51537 1 215 . 1 . 1 16 16 LYS HZ2 H 1 7.705 0.005 . 1 . . . . . 16 LYS HZ2 . 51537 1 216 . 1 . 1 16 16 LYS HZ3 H 1 7.705 0.005 . 1 . . . . . 16 LYS HZ3 . 51537 1 217 . 1 . 1 16 16 LYS CA C 13 57.702 0.000 . 1 . . . . . 16 LYS CA . 51537 1 218 . 1 . 1 16 16 LYS CB C 13 32.927 0.000 . 1 . . . . . 16 LYS CB . 51537 1 219 . 1 . 1 16 16 LYS CG C 13 25.126 0.013 . 1 . . . . . 16 LYS CG . 51537 1 220 . 1 . 1 16 16 LYS CD C 13 29.316 0.000 . 1 . . . . . 16 LYS CD . 51537 1 221 . 1 . 1 16 16 LYS CE C 13 42.044 0.000 . 1 . . . . . 16 LYS CE . 51537 1 222 . 1 . 1 17 17 LEU H H 1 7.943 0.003 . 1 . . . . . 17 LEU H . 51537 1 223 . 1 . 1 17 17 LEU HA H 1 4.133 0.002 . 1 . . . . . 17 LEU HA . 51537 1 224 . 1 . 1 17 17 LEU HB2 H 1 1.523 0.004 . 2 . . . . . 17 LEU HB2 . 51537 1 225 . 1 . 1 17 17 LEU HB3 H 1 1.664 0.005 . 2 . . . . . 17 LEU HB3 . 51537 1 226 . 1 . 1 17 17 LEU HG H 1 1.615 0.003 . 1 . . . . . 17 LEU HG . 51537 1 227 . 1 . 1 17 17 LEU HD11 H 1 0.804 0.004 . 2 . . . . . 17 LEU QD1 . 51537 1 228 . 1 . 1 17 17 LEU HD12 H 1 0.804 0.004 . 2 . . . . . 17 LEU QD1 . 51537 1 229 . 1 . 1 17 17 LEU HD13 H 1 0.804 0.004 . 2 . . . . . 17 LEU QD1 . 51537 1 230 . 1 . 1 17 17 LEU HD21 H 1 0.837 0.002 . 2 . . . . . 17 LEU QD2 . 51537 1 231 . 1 . 1 17 17 LEU HD22 H 1 0.837 0.002 . 2 . . . . . 17 LEU QD2 . 51537 1 232 . 1 . 1 17 17 LEU HD23 H 1 0.837 0.002 . 2 . . . . . 17 LEU QD2 . 51537 1 233 . 1 . 1 17 17 LEU CA C 13 56.204 0.000 . 1 . . . . . 17 LEU CA . 51537 1 234 . 1 . 1 17 17 LEU CB C 13 42.335 0.002 . 1 . . . . . 17 LEU CB . 51537 1 235 . 1 . 1 17 17 LEU CG C 13 26.866 0.000 . 1 . . . . . 17 LEU CG . 51537 1 236 . 1 . 1 17 17 LEU CD1 C 13 23.691 0.000 . 1 . . . . . 17 LEU CD1 . 51537 1 237 . 1 . 1 17 17 LEU CD2 C 13 25.218 0.000 . 1 . . . . . 17 LEU CD2 . 51537 1 238 . 1 . 1 18 18 ARG H H 1 8.087 0.002 . 1 . . . . . 18 ARG H . 51537 1 239 . 1 . 1 18 18 ARG HA H 1 4.186 0.003 . 1 . . . . . 18 ARG HA . 51537 1 240 . 1 . 1 18 18 ARG HB2 H 1 1.765 0.001 . 2 . . . . . 18 ARG HB2 . 51537 1 241 . 1 . 1 18 18 ARG HB3 H 1 1.893 0.004 . 2 . . . . . 18 ARG HB3 . 51537 1 242 . 1 . 1 18 18 ARG HG2 H 1 1.619 0.004 . 2 . . . . . 18 ARG HG2 . 51537 1 243 . 1 . 1 18 18 ARG HG3 H 1 1.758 0.003 . 2 . . . . . 18 ARG HG3 . 51537 1 244 . 1 . 1 18 18 ARG HD2 H 1 3.149 0.003 . 2 . . . . . 18 ARG HD2 . 51537 1 245 . 1 . 1 18 18 ARG HD3 H 1 3.149 0.003 . 2 . . . . . 18 ARG HD3 . 51537 1 246 . 1 . 1 18 18 ARG HE H 1 7.415 0.001 . 1 . . . . . 18 ARG HE . 51537 1 247 . 1 . 1 18 18 ARG CA C 13 56.881 0.000 . 1 . . . . . 18 ARG CA . 51537 1 248 . 1 . 1 18 18 ARG CB C 13 30.700 0.003 . 1 . . . . . 18 ARG CB . 51537 1 249 . 1 . 1 18 18 ARG CG C 13 27.512 0.000 . 1 . . . . . 18 ARG CG . 51537 1 250 . 1 . 1 18 18 ARG CD C 13 43.529 0.000 . 1 . . . . . 18 ARG CD . 51537 1 251 . 1 . 1 19 19 LYS H H 1 7.990 0.002 . 1 . . . . . 19 LYS H . 51537 1 252 . 1 . 1 19 19 LYS HA H 1 4.211 0.002 . 1 . . . . . 19 LYS HA . 51537 1 253 . 1 . 1 19 19 LYS HB2 H 1 1.830 0.003 . 2 . . . . . 19 LYS HB2 . 51537 1 254 . 1 . 1 19 19 LYS HB3 H 1 1.830 0.003 . 2 . . . . . 19 LYS HB3 . 51537 1 255 . 1 . 1 19 19 LYS HG2 H 1 1.502 0.006 . 2 . . . . . 19 LYS HG2 . 51537 1 256 . 1 . 1 19 19 LYS HG3 H 1 1.502 0.006 . 2 . . . . . 19 LYS HG3 . 51537 1 257 . 1 . 1 19 19 LYS HD2 H 1 1.682 0.003 . 2 . . . . . 19 LYS HD2 . 51537 1 258 . 1 . 1 19 19 LYS HD3 H 1 1.682 0.003 . 2 . . . . . 19 LYS HD3 . 51537 1 259 . 1 . 1 19 19 LYS HE2 H 1 2.976 0.004 . 2 . . . . . 19 LYS HE2 . 51537 1 260 . 1 . 1 19 19 LYS HE3 H 1 2.976 0.004 . 2 . . . . . 19 LYS HE3 . 51537 1 261 . 1 . 1 19 19 LYS HZ1 H 1 7.594 0.000 . 1 . . . . . 19 LYS HZ1 . 51537 1 262 . 1 . 1 19 19 LYS HZ2 H 1 7.594 0.000 . 1 . . . . . 19 LYS HZ2 . 51537 1 263 . 1 . 1 19 19 LYS HZ3 H 1 7.594 0.000 . 1 . . . . . 19 LYS HZ3 . 51537 1 264 . 1 . 1 19 19 LYS CA C 13 56.862 0.000 . 1 . . . . . 19 LYS CA . 51537 1 265 . 1 . 1 19 19 LYS CB C 13 32.660 0.000 . 1 . . . . . 19 LYS CB . 51537 1 266 . 1 . 1 19 19 LYS CG C 13 24.865 0.000 . 1 . . . . . 19 LYS CG . 51537 1 267 . 1 . 1 19 19 LYS CD C 13 29.119 0.000 . 1 . . . . . 19 LYS CD . 51537 1 268 . 1 . 1 19 19 LYS CE C 13 42.091 0.000 . 1 . . . . . 19 LYS CE . 51537 1 269 . 1 . 1 20 20 LYS H H 1 8.152 0.002 . 1 . . . . . 20 LYS H . 51537 1 270 . 1 . 1 20 20 LYS HA H 1 4.204 0.004 . 1 . . . . . 20 LYS HA . 51537 1 271 . 1 . 1 20 20 LYS HB2 H 1 1.840 0.006 . 2 . . . . . 20 LYS HB2 . 51537 1 272 . 1 . 1 20 20 LYS HB3 H 1 1.840 0.006 . 2 . . . . . 20 LYS HB3 . 51537 1 273 . 1 . 1 20 20 LYS HG2 H 1 1.474 0.003 . 2 . . . . . 20 LYS HG2 . 51537 1 274 . 1 . 1 20 20 LYS HG3 H 1 1.474 0.003 . 2 . . . . . 20 LYS HG3 . 51537 1 275 . 1 . 1 20 20 LYS HD2 H 1 1.681 0.003 . 2 . . . . . 20 LYS HD2 . 51537 1 276 . 1 . 1 20 20 LYS HD3 H 1 1.681 0.003 . 2 . . . . . 20 LYS HD3 . 51537 1 277 . 1 . 1 20 20 LYS HE2 H 1 2.975 0.003 . 2 . . . . . 20 LYS HE2 . 51537 1 278 . 1 . 1 20 20 LYS HE3 H 1 2.975 0.003 . 2 . . . . . 20 LYS HE3 . 51537 1 279 . 1 . 1 20 20 LYS CA C 13 56.483 0.000 . 1 . . . . . 20 LYS CA . 51537 1 280 . 1 . 1 20 20 LYS CB C 13 32.921 0.000 . 1 . . . . . 20 LYS CB . 51537 1 281 . 1 . 1 20 20 LYS CG C 13 24.859 0.000 . 1 . . . . . 20 LYS CG . 51537 1 282 . 1 . 1 20 20 LYS CD C 13 29.131 0.000 . 1 . . . . . 20 LYS CD . 51537 1 283 . 1 . 1 20 20 LYS CE C 13 42.091 0.000 . 1 . . . . . 20 LYS CE . 51537 1 284 . 1 . 1 21 21 NH2 HN1 H 1 7.112 0.001 . 2 . . . . . 21 NH2 HN1 . 51537 1 285 . 1 . 1 21 21 NH2 HN2 H 1 7.511 0.001 . 2 . . . . . 21 NH2 HN2 . 51537 1 stop_ save_ ################################### # 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_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51537 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'assigned chem shift list 2' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 'Chemical shifts at 308K' _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 6 '2D DQF-COSY' . . . 51537 2 7 '2D 1H-1H TOCSY' . . . 51537 2 8 '2D 1H-1H NOESY' . . . 51537 2 9 '2D 1H-13C HSQC aliphatic' . . . 51537 2 10 '2D 1H-13C HSQC aromatic' . . . 51537 2 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 $software_1 . . 51537 2 2 $software_2 . . 51537 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 PHE HA H 1 4.509 0.003 . 1 . . . . . 1 PHE HA . 51537 2 2 . 1 . 1 1 1 PHE HB2 H 1 3.265 0.003 . 2 . . . . . 1 PHE HB2 . 51537 2 3 . 1 . 1 1 1 PHE HB3 H 1 3.265 0.003 . 2 . . . . . 1 PHE HB3 . 51537 2 4 . 1 . 1 1 1 PHE HD1 H 1 7.471 0.002 . 1 . . . . . 1 PHE HD1 . 51537 2 5 . 1 . 1 1 1 PHE HD2 H 1 7.471 0.002 . 1 . . . . . 1 PHE HD2 . 51537 2 6 . 1 . 1 1 1 PHE HE1 H 1 7.342 0.002 . 1 . . . . . 1 PHE HE1 . 51537 2 7 . 1 . 1 1 1 PHE HE2 H 1 7.342 0.002 . 1 . . . . . 1 PHE HE2 . 51537 2 8 . 1 . 1 1 1 PHE HZ H 1 7.261 0.002 . 1 . . . . . 1 PHE HZ . 51537 2 9 . 1 . 1 1 1 PHE CA C 13 56.047 0.000 . 1 . . . . . 1 PHE CA . 51537 2 10 . 1 . 1 1 1 PHE CB C 13 39.285 0.000 . 1 . . . . . 1 PHE CB . 51537 2 11 . 1 . 1 1 1 PHE CD1 C 13 132.671 0.000 . 1 . . . . . 1 PHE CD1 . 51537 2 12 . 1 . 1 1 1 PHE CD2 C 13 132.671 0.000 . 1 . . . . . 1 PHE CD2 . 51537 2 13 . 1 . 1 1 1 PHE CE1 C 13 131.653 0.000 . 1 . . . . . 1 PHE CE1 . 51537 2 14 . 1 . 1 1 1 PHE CE2 C 13 131.653 0.000 . 1 . . . . . 1 PHE CE2 . 51537 2 15 . 1 . 1 1 1 PHE CZ C 13 130.189 0.000 . 1 . . . . . 1 PHE CZ . 51537 2 16 . 1 . 1 2 2 PRO HA H 1 4.520 0.005 . 1 . . . . . 2 PRO HA . 51537 2 17 . 1 . 1 2 2 PRO HB2 H 1 1.852 0.004 . 2 . . . . . 2 PRO HB2 . 51537 2 18 . 1 . 1 2 2 PRO HB3 H 1 2.263 0.002 . 2 . . . . . 2 PRO HB3 . 51537 2 19 . 1 . 1 2 2 PRO HG2 H 1 1.738 0.002 . 2 . . . . . 2 PRO HG2 . 51537 2 20 . 1 . 1 2 2 PRO HG3 H 1 1.906 0.002 . 2 . . . . . 2 PRO HG3 . 51537 2 21 . 1 . 1 2 2 PRO HD2 H 1 2.756 0.003 . 2 . . . . . 2 PRO HD2 . 51537 2 22 . 1 . 1 2 2 PRO HD3 H 1 3.598 0.004 . 2 . . . . . 2 PRO HD3 . 51537 2 23 . 1 . 1 2 2 PRO CA C 13 63.853 0.000 . 1 . . . . . 2 PRO CA . 51537 2 24 . 1 . 1 2 2 PRO CB C 13 31.962 0.002 . 1 . . . . . 2 PRO CB . 51537 2 25 . 1 . 1 2 2 PRO CG C 13 27.443 0.008 . 1 . . . . . 2 PRO CG . 51537 2 26 . 1 . 1 2 2 PRO CD C 13 50.462 0.004 . 1 . . . . . 2 PRO CD . 51537 2 27 . 1 . 1 3 3 ILE H H 1 7.691 0.002 . 1 . . . . . 3 ILE H . 51537 2 28 . 1 . 1 3 3 ILE HA H 1 4.360 0.001 . 1 . . . . . 3 ILE HA . 51537 2 29 . 1 . 1 3 3 ILE HB H 1 1.908 0.001 . 1 . . . . . 3 ILE HB . 51537 2 30 . 1 . 1 3 3 ILE HG12 H 1 1.178 0.006 . 2 . . . . . 3 ILE HG12 . 51537 2 31 . 1 . 1 3 3 ILE HG13 H 1 1.517 0.001 . 2 . . . . . 3 ILE HG13 . 51537 2 32 . 1 . 1 3 3 ILE HG21 H 1 0.949 0.003 . 1 . . . . . 3 ILE QG2 . 51537 2 33 . 1 . 1 3 3 ILE HG22 H 1 0.949 0.003 . 1 . . . . . 3 ILE QG2 . 51537 2 34 . 1 . 1 3 3 ILE HG23 H 1 0.949 0.003 . 1 . . . . . 3 ILE QG2 . 51537 2 35 . 1 . 1 3 3 ILE HD11 H 1 0.886 0.006 . 1 . . . . . 3 ILE QD1 . 51537 2 36 . 1 . 1 3 3 ILE HD12 H 1 0.886 0.006 . 1 . . . . . 3 ILE QD1 . 51537 2 37 . 1 . 1 3 3 ILE HD13 H 1 0.886 0.006 . 1 . . . . . 3 ILE QD1 . 51537 2 38 . 1 . 1 3 3 ILE CA C 13 60.792 0.000 . 1 . . . . . 3 ILE CA . 51537 2 39 . 1 . 1 3 3 ILE CB C 13 39.723 0.000 . 1 . . . . . 3 ILE CB . 51537 2 40 . 1 . 1 3 3 ILE CG1 C 13 27.459 0.007 . 1 . . . . . 3 ILE CG1 . 51537 2 41 . 1 . 1 3 3 ILE CG2 C 13 17.936 0.000 . 1 . . . . . 3 ILE CG2 . 51537 2 42 . 1 . 1 3 3 ILE CD1 C 13 13.417 0.000 . 1 . . . . . 3 ILE CD1 . 51537 2 43 . 1 . 1 4 4 THR H H 1 8.135 0.001 . 1 . . . . . 4 THR H . 51537 2 44 . 1 . 1 4 4 THR HA H 1 4.432 0.002 . 1 . . . . . 4 THR HA . 51537 2 45 . 1 . 1 4 4 THR HB H 1 4.216 0.004 . 1 . . . . . 4 THR HB . 51537 2 46 . 1 . 1 4 4 THR HG21 H 1 1.198 0.002 . 1 . . . . . 4 THR QG2 . 51537 2 47 . 1 . 1 4 4 THR HG22 H 1 1.198 0.002 . 1 . . . . . 4 THR QG2 . 51537 2 48 . 1 . 1 4 4 THR HG23 H 1 1.198 0.002 . 1 . . . . . 4 THR QG2 . 51537 2 49 . 1 . 1 4 4 THR CA C 13 61.739 0.000 . 1 . . . . . 4 THR CA . 51537 2 50 . 1 . 1 4 4 THR CB C 13 69.804 0.000 . 1 . . . . . 4 THR CB . 51537 2 51 . 1 . 1 4 4 THR CG2 C 13 21.693 0.000 . 1 . . . . . 4 THR CG2 . 51537 2 52 . 1 . 1 5 5 VAL H H 1 8.101 0.002 . 1 . . . . . 5 VAL H . 51537 2 53 . 1 . 1 5 5 VAL HA H 1 4.122 0.003 . 1 . . . . . 5 VAL HA . 51537 2 54 . 1 . 1 5 5 VAL HB H 1 2.118 0.003 . 1 . . . . . 5 VAL HB . 51537 2 55 . 1 . 1 5 5 VAL HG11 H 1 0.942 0.000 . 2 . . . . . 5 VAL QG1 . 51537 2 56 . 1 . 1 5 5 VAL HG12 H 1 0.942 0.000 . 2 . . . . . 5 VAL QG1 . 51537 2 57 . 1 . 1 5 5 VAL HG13 H 1 0.942 0.000 . 2 . . . . . 5 VAL QG1 . 51537 2 58 . 1 . 1 5 5 VAL HG21 H 1 0.955 0.003 . 2 . . . . . 5 VAL QG2 . 51537 2 59 . 1 . 1 5 5 VAL HG22 H 1 0.955 0.003 . 2 . . . . . 5 VAL QG2 . 51537 2 60 . 1 . 1 5 5 VAL HG23 H 1 0.955 0.003 . 2 . . . . . 5 VAL QG2 . 51537 2 61 . 1 . 1 5 5 VAL CA C 13 62.726 0.000 . 1 . . . . . 5 VAL CA . 51537 2 62 . 1 . 1 5 5 VAL CB C 13 32.896 0.000 . 1 . . . . . 5 VAL CB . 51537 2 63 . 1 . 1 5 5 VAL CG1 C 13 20.911 0.000 . 1 . . . . . 5 VAL CG1 . 51537 2 64 . 1 . 1 5 5 VAL CG2 C 13 20.898 0.000 . 1 . . . . . 5 VAL CG2 . 51537 2 65 . 1 . 1 6 6 GLY H H 1 8.390 0.000 . 1 . . . . . 6 GLY H . 51537 2 66 . 1 . 1 6 6 GLY HA2 H 1 3.869 0.001 . 2 . . . . . 6 GLY HA2 . 51537 2 67 . 1 . 1 6 6 GLY HA3 H 1 4.003 0.003 . 2 . . . . . 6 GLY HA3 . 51537 2 68 . 1 . 1 6 6 GLY CA C 13 45.670 0.005 . 1 . . . . . 6 GLY CA . 51537 2 69 . 1 . 1 7 7 ILE H H 1 7.755 0.003 . 1 . . . . . 7 ILE H . 51537 2 70 . 1 . 1 7 7 ILE HA H 1 4.184 0.002 . 1 . . . . . 7 ILE HA . 51537 2 71 . 1 . 1 7 7 ILE HB H 1 1.873 0.002 . 1 . . . . . 7 ILE HB . 51537 2 72 . 1 . 1 7 7 ILE HG12 H 1 1.197 0.003 . 2 . . . . . 7 ILE HG12 . 51537 2 73 . 1 . 1 7 7 ILE HG13 H 1 1.476 0.008 . 2 . . . . . 7 ILE HG13 . 51537 2 74 . 1 . 1 7 7 ILE HG21 H 1 0.897 0.003 . 1 . . . . . 7 ILE QG2 . 51537 2 75 . 1 . 1 7 7 ILE HG22 H 1 0.897 0.003 . 1 . . . . . 7 ILE QG2 . 51537 2 76 . 1 . 1 7 7 ILE HG23 H 1 0.897 0.003 . 1 . . . . . 7 ILE QG2 . 51537 2 77 . 1 . 1 7 7 ILE HD11 H 1 0.879 0.000 . 1 . . . . . 7 ILE QD1 . 51537 2 78 . 1 . 1 7 7 ILE HD12 H 1 0.879 0.000 . 1 . . . . . 7 ILE QD1 . 51537 2 79 . 1 . 1 7 7 ILE HD13 H 1 0.879 0.000 . 1 . . . . . 7 ILE QD1 . 51537 2 80 . 1 . 1 7 7 ILE CA C 13 61.284 0.000 . 1 . . . . . 7 ILE CA . 51537 2 81 . 1 . 1 7 7 ILE CB C 13 39.124 0.000 . 1 . . . . . 7 ILE CB . 51537 2 82 . 1 . 1 7 7 ILE CG1 C 13 27.517 0.008 . 1 . . . . . 7 ILE CG1 . 51537 2 83 . 1 . 1 7 7 ILE CG2 C 13 17.792 0.000 . 1 . . . . . 7 ILE CG2 . 51537 2 84 . 1 . 1 7 7 ILE CD1 C 13 13.417 0.000 . 1 . . . . . 7 ILE CD1 . 51537 2 85 . 1 . 1 8 8 VAL H H 1 7.877 0.002 . 1 . . . . . 8 VAL H . 51537 2 86 . 1 . 1 8 8 VAL HA H 1 4.114 0.005 . 1 . . . . . 8 VAL HA . 51537 2 87 . 1 . 1 8 8 VAL HB H 1 2.077 0.005 . 1 . . . . . 8 VAL HB . 51537 2 88 . 1 . 1 8 8 VAL HG11 H 1 0.913 0.002 . 2 . . . . . 8 VAL QG1 . 51537 2 89 . 1 . 1 8 8 VAL HG12 H 1 0.913 0.002 . 2 . . . . . 8 VAL QG1 . 51537 2 90 . 1 . 1 8 8 VAL HG13 H 1 0.913 0.002 . 2 . . . . . 8 VAL QG1 . 51537 2 91 . 1 . 1 8 8 VAL HG21 H 1 0.941 0.004 . 2 . . . . . 8 VAL QG2 . 51537 2 92 . 1 . 1 8 8 VAL HG22 H 1 0.941 0.004 . 2 . . . . . 8 VAL QG2 . 51537 2 93 . 1 . 1 8 8 VAL HG23 H 1 0.941 0.004 . 2 . . . . . 8 VAL QG2 . 51537 2 94 . 1 . 1 8 8 VAL CA C 13 62.402 0.000 . 1 . . . . . 8 VAL CA . 51537 2 95 . 1 . 1 8 8 VAL CB C 13 32.910 0.000 . 1 . . . . . 8 VAL CB . 51537 2 96 . 1 . 1 8 8 VAL CG1 C 13 21.374 0.000 . 1 . . . . . 8 VAL CG1 . 51537 2 97 . 1 . 1 8 8 VAL CG2 C 13 21.486 0.000 . 1 . . . . . 8 VAL CG2 . 51537 2 98 . 1 . 1 9 9 MET H H 1 8.422 0.001 . 1 . . . . . 9 MET H . 51537 2 99 . 1 . 1 9 9 MET HA H 1 4.688 0.013 . 1 . . . . . 9 MET HA . 51537 2 100 . 1 . 1 9 9 MET HB2 H 1 2.014 0.003 . 2 . . . . . 9 MET HB2 . 51537 2 101 . 1 . 1 9 9 MET HB3 H 1 2.079 0.003 . 2 . . . . . 9 MET HB3 . 51537 2 102 . 1 . 1 9 9 MET HG2 H 1 2.560 0.003 . 2 . . . . . 9 MET HG2 . 51537 2 103 . 1 . 1 9 9 MET HG3 H 1 2.610 0.002 . 2 . . . . . 9 MET HG3 . 51537 2 104 . 1 . 1 9 9 MET HE1 H 1 2.060 0.000 . 1 . . . . . 9 MET HE# . 51537 2 105 . 1 . 1 9 9 MET HE2 H 1 2.060 0.000 . 1 . . . . . 9 MET HE# . 51537 2 106 . 1 . 1 9 9 MET HE3 H 1 2.060 0.000 . 1 . . . . . 9 MET HE# . 51537 2 107 . 1 . 1 9 9 MET CB C 13 32.376 0.021 . 1 . . . . . 9 MET CB . 51537 2 108 . 1 . 1 9 9 MET CG C 13 32.517 0.002 . 1 . . . . . 9 MET CG . 51537 2 109 . 1 . 1 9 9 MET CE C 13 17.426 0.000 . 1 . . . . . 9 MET CE . 51537 2 110 . 1 . 1 10 10 PRO HA H 1 4.467 0.003 . 1 . . . . . 10 PRO HA . 51537 2 111 . 1 . 1 10 10 PRO HB2 H 1 1.965 0.003 . 2 . . . . . 10 PRO HB2 . 51537 2 112 . 1 . 1 10 10 PRO HB3 H 1 2.262 0.002 . 2 . . . . . 10 PRO HB3 . 51537 2 113 . 1 . 1 10 10 PRO HG2 H 1 1.960 0.000 . 2 . . . . . 10 PRO HG2 . 51537 2 114 . 1 . 1 10 10 PRO HG3 H 1 2.076 0.003 . 2 . . . . . 10 PRO HG3 . 51537 2 115 . 1 . 1 10 10 PRO HD2 H 1 3.692 0.002 . 2 . . . . . 10 PRO HD2 . 51537 2 116 . 1 . 1 10 10 PRO HD3 H 1 3.894 0.002 . 2 . . . . . 10 PRO HD3 . 51537 2 117 . 1 . 1 10 10 PRO CA C 13 63.820 0.000 . 1 . . . . . 10 PRO CA . 51537 2 118 . 1 . 1 10 10 PRO CB C 13 31.632 0.004 . 1 . . . . . 10 PRO CB . 51537 2 119 . 1 . 1 10 10 PRO CG C 13 27.811 0.005 . 1 . . . . . 10 PRO CG . 51537 2 120 . 1 . 1 10 10 PRO CD C 13 50.623 0.009 . 1 . . . . . 10 PRO CD . 51537 2 121 . 1 . 1 11 11 LYS H H 1 8.344 0.000 . 1 . . . . . 11 LYS H . 51537 2 122 . 1 . 1 11 11 LYS HA H 1 4.026 0.005 . 1 . . . . . 11 LYS HA . 51537 2 123 . 1 . 1 11 11 LYS HB2 H 1 1.828 0.001 . 2 . . . . . 11 LYS HB2 . 51537 2 124 . 1 . 1 11 11 LYS HB3 H 1 1.828 0.001 . 2 . . . . . 11 LYS HB3 . 51537 2 125 . 1 . 1 11 11 LYS HG2 H 1 1.418 0.002 . 2 . . . . . 11 LYS HG2 . 51537 2 126 . 1 . 1 11 11 LYS HG3 H 1 1.542 0.002 . 2 . . . . . 11 LYS HG3 . 51537 2 127 . 1 . 1 11 11 LYS HD2 H 1 1.712 0.002 . 2 . . . . . 11 LYS HD2 . 51537 2 128 . 1 . 1 11 11 LYS HD3 H 1 1.712 0.002 . 2 . . . . . 11 LYS HD3 . 51537 2 129 . 1 . 1 11 11 LYS HE2 H 1 2.976 0.002 . 2 . . . . . 11 LYS HE2 . 51537 2 130 . 1 . 1 11 11 LYS HE3 H 1 2.976 0.002 . 2 . . . . . 11 LYS HE3 . 51537 2 131 . 1 . 1 11 11 LYS HZ1 H 1 7.634 0.000 . 1 . . . . . 11 LYS HZ1 . 51537 2 132 . 1 . 1 11 11 LYS HZ2 H 1 7.634 0.000 . 1 . . . . . 11 LYS HZ2 . 51537 2 133 . 1 . 1 11 11 LYS HZ3 H 1 7.634 0.000 . 1 . . . . . 11 LYS HZ3 . 51537 2 134 . 1 . 1 11 11 LYS CA C 13 58.928 0.000 . 1 . . . . . 11 LYS CA . 51537 2 135 . 1 . 1 11 11 LYS CB C 13 32.966 0.000 . 1 . . . . . 11 LYS CB . 51537 2 136 . 1 . 1 11 11 LYS CG C 13 25.427 0.011 . 1 . . . . . 11 LYS CG . 51537 2 137 . 1 . 1 11 11 LYS CD C 13 29.271 0.000 . 1 . . . . . 11 LYS CD . 51537 2 138 . 1 . 1 11 11 LYS CE C 13 42.138 0.000 . 1 . . . . . 11 LYS CE . 51537 2 139 . 1 . 1 12 12 LYS H H 1 8.281 0.000 . 1 . . . . . 12 LYS H . 51537 2 140 . 1 . 1 12 12 LYS HA H 1 4.093 0.002 . 1 . . . . . 12 LYS HA . 51537 2 141 . 1 . 1 12 12 LYS HB2 H 1 1.753 0.006 . 2 . . . . . 12 LYS HB2 . 51537 2 142 . 1 . 1 12 12 LYS HB3 H 1 1.823 0.005 . 2 . . . . . 12 LYS HB3 . 51537 2 143 . 1 . 1 12 12 LYS HG2 H 1 1.270 0.002 . 2 . . . . . 12 LYS HG2 . 51537 2 144 . 1 . 1 12 12 LYS HG3 H 1 1.349 0.003 . 2 . . . . . 12 LYS HG3 . 51537 2 145 . 1 . 1 12 12 LYS HD2 H 1 1.641 0.001 . 2 . . . . . 12 LYS HD2 . 51537 2 146 . 1 . 1 12 12 LYS HD3 H 1 1.641 0.001 . 2 . . . . . 12 LYS HD3 . 51537 2 147 . 1 . 1 12 12 LYS HE2 H 1 2.907 0.004 . 2 . . . . . 12 LYS HE2 . 51537 2 148 . 1 . 1 12 12 LYS HE3 H 1 2.907 0.004 . 2 . . . . . 12 LYS HE3 . 51537 2 149 . 1 . 1 12 12 LYS HZ1 H 1 7.589 0.000 . 1 . . . . . 12 LYS HZ1 . 51537 2 150 . 1 . 1 12 12 LYS HZ2 H 1 7.589 0.000 . 1 . . . . . 12 LYS HZ2 . 51537 2 151 . 1 . 1 12 12 LYS HZ3 H 1 7.589 0.000 . 1 . . . . . 12 LYS HZ3 . 51537 2 152 . 1 . 1 12 12 LYS CA C 13 58.310 0.000 . 1 . . . . . 12 LYS CA . 51537 2 153 . 1 . 1 12 12 LYS CB C 13 32.568 0.002 . 1 . . . . . 12 LYS CB . 51537 2 154 . 1 . 1 12 12 LYS CG C 13 25.050 0.003 . 1 . . . . . 12 LYS CG . 51537 2 155 . 1 . 1 12 12 LYS CD C 13 29.309 0.000 . 1 . . . . . 12 LYS CD . 51537 2 156 . 1 . 1 12 12 LYS CE C 13 42.050 0.000 . 1 . . . . . 12 LYS CE . 51537 2 157 . 1 . 1 13 13 PHE H H 1 7.926 0.002 . 1 . . . . . 13 PHE H . 51537 2 158 . 1 . 1 13 13 PHE HA H 1 4.451 0.004 . 1 . . . . . 13 PHE HA . 51537 2 159 . 1 . 1 13 13 PHE HB2 H 1 3.136 0.002 . 2 . . . . . 13 PHE HB2 . 51537 2 160 . 1 . 1 13 13 PHE HB3 H 1 3.136 0.002 . 2 . . . . . 13 PHE HB3 . 51537 2 161 . 1 . 1 13 13 PHE HD1 H 1 7.196 0.002 . 1 . . . . . 13 PHE HD1 . 51537 2 162 . 1 . 1 13 13 PHE HD2 H 1 7.196 0.002 . 1 . . . . . 13 PHE HD2 . 51537 2 163 . 1 . 1 13 13 PHE HE1 H 1 7.294 0.002 . 1 . . . . . 13 PHE HE1 . 51537 2 164 . 1 . 1 13 13 PHE HE2 H 1 7.294 0.002 . 1 . . . . . 13 PHE HE2 . 51537 2 165 . 1 . 1 13 13 PHE HZ H 1 7.246 0.002 . 1 . . . . . 13 PHE HZ . 51537 2 166 . 1 . 1 13 13 PHE CA C 13 59.402 0.000 . 1 . . . . . 13 PHE CA . 51537 2 167 . 1 . 1 13 13 PHE CB C 13 39.618 0.000 . 1 . . . . . 13 PHE CB . 51537 2 168 . 1 . 1 13 13 PHE CD1 C 13 131.561 0.000 . 1 . . . . . 13 PHE CD1 . 51537 2 169 . 1 . 1 13 13 PHE CD2 C 13 131.561 0.000 . 1 . . . . . 13 PHE CD2 . 51537 2 170 . 1 . 1 13 13 PHE CE1 C 13 131.305 0.000 . 1 . . . . . 13 PHE CE1 . 51537 2 171 . 1 . 1 13 13 PHE CE2 C 13 131.305 0.000 . 1 . . . . . 13 PHE CE2 . 51537 2 172 . 1 . 1 13 13 PHE CZ C 13 129.767 0.000 . 1 . . . . . 13 PHE CZ . 51537 2 173 . 1 . 1 14 14 ILE H H 1 7.917 0.001 . 1 . . . . . 14 ILE H . 51537 2 174 . 1 . 1 14 14 ILE HA H 1 3.781 0.002 . 1 . . . . . 14 ILE HA . 51537 2 175 . 1 . 1 14 14 ILE HB H 1 1.902 0.002 . 1 . . . . . 14 ILE HB . 51537 2 176 . 1 . 1 14 14 ILE HG12 H 1 1.219 0.003 . 2 . . . . . 14 ILE HG12 . 51537 2 177 . 1 . 1 14 14 ILE HG13 H 1 1.603 0.002 . 2 . . . . . 14 ILE HG13 . 51537 2 178 . 1 . 1 14 14 ILE HG21 H 1 0.907 0.001 . 1 . . . . . 14 ILE QG2 . 51537 2 179 . 1 . 1 14 14 ILE HG22 H 1 0.907 0.001 . 1 . . . . . 14 ILE QG2 . 51537 2 180 . 1 . 1 14 14 ILE HG23 H 1 0.907 0.001 . 1 . . . . . 14 ILE QG2 . 51537 2 181 . 1 . 1 14 14 ILE HD11 H 1 0.856 0.006 . 1 . . . . . 14 ILE QD1 . 51537 2 182 . 1 . 1 14 14 ILE HD12 H 1 0.856 0.006 . 1 . . . . . 14 ILE QD1 . 51537 2 183 . 1 . 1 14 14 ILE HD13 H 1 0.856 0.006 . 1 . . . . . 14 ILE QD1 . 51537 2 184 . 1 . 1 14 14 ILE CA C 13 63.154 0.000 . 1 . . . . . 14 ILE CA . 51537 2 185 . 1 . 1 14 14 ILE CB C 13 38.009 0.000 . 1 . . . . . 14 ILE CB . 51537 2 186 . 1 . 1 14 14 ILE CG1 C 13 28.453 0.002 . 1 . . . . . 14 ILE CG1 . 51537 2 187 . 1 . 1 14 14 ILE CG2 C 13 17.723 0.000 . 1 . . . . . 14 ILE CG2 . 51537 2 188 . 1 . 1 14 14 ILE CD1 C 13 12.886 0.000 . 1 . . . . . 14 ILE CD1 . 51537 2 189 . 1 . 1 15 15 LYS H H 1 7.966 0.001 . 1 . . . . . 15 LYS H . 51537 2 190 . 1 . 1 15 15 LYS HA H 1 4.040 0.003 . 1 . . . . . 15 LYS HA . 51537 2 191 . 1 . 1 15 15 LYS HB2 H 1 1.817 0.001 . 2 . . . . . 15 LYS HB2 . 51537 2 192 . 1 . 1 15 15 LYS HB3 H 1 1.817 0.001 . 2 . . . . . 15 LYS HB3 . 51537 2 193 . 1 . 1 15 15 LYS HG2 H 1 1.427 0.015 . 2 . . . . . 15 LYS HG2 . 51537 2 194 . 1 . 1 15 15 LYS HG3 H 1 1.525 0.004 . 2 . . . . . 15 LYS HG3 . 51537 2 195 . 1 . 1 15 15 LYS HD2 H 1 1.679 0.004 . 2 . . . . . 15 LYS HD2 . 51537 2 196 . 1 . 1 15 15 LYS HD3 H 1 1.679 0.004 . 2 . . . . . 15 LYS HD3 . 51537 2 197 . 1 . 1 15 15 LYS HE2 H 1 2.977 0.004 . 2 . . . . . 15 LYS HE2 . 51537 2 198 . 1 . 1 15 15 LYS HE3 H 1 2.977 0.004 . 2 . . . . . 15 LYS HE3 . 51537 2 199 . 1 . 1 15 15 LYS HZ1 H 1 7.631 0.002 . 1 . . . . . 15 LYS HZ1 . 51537 2 200 . 1 . 1 15 15 LYS HZ2 H 1 7.631 0.002 . 1 . . . . . 15 LYS HZ2 . 51537 2 201 . 1 . 1 15 15 LYS HZ3 H 1 7.631 0.002 . 1 . . . . . 15 LYS HZ3 . 51537 2 202 . 1 . 1 15 15 LYS CA C 13 58.437 0.000 . 1 . . . . . 15 LYS CA . 51537 2 203 . 1 . 1 15 15 LYS CB C 13 32.648 0.000 . 1 . . . . . 15 LYS CB . 51537 2 204 . 1 . 1 15 15 LYS CG C 13 25.212 0.032 . 1 . . . . . 15 LYS CG . 51537 2 205 . 1 . 1 15 15 LYS CD C 13 29.285 0.000 . 1 . . . . . 15 LYS CD . 51537 2 206 . 1 . 1 15 15 LYS CE C 13 42.137 0.000 . 1 . . . . . 15 LYS CE . 51537 2 207 . 1 . 1 16 16 LYS H H 1 7.738 0.004 . 1 . . . . . 16 LYS H . 51537 2 208 . 1 . 1 16 16 LYS HA H 1 4.148 0.001 . 1 . . . . . 16 LYS HA . 51537 2 209 . 1 . 1 16 16 LYS HB2 H 1 1.841 0.004 . 2 . . . . . 16 LYS HB2 . 51537 2 210 . 1 . 1 16 16 LYS HB3 H 1 1.841 0.004 . 2 . . . . . 16 LYS HB3 . 51537 2 211 . 1 . 1 16 16 LYS HG2 H 1 1.418 0.006 . 2 . . . . . 16 LYS HG2 . 51537 2 212 . 1 . 1 16 16 LYS HG3 H 1 1.510 0.003 . 2 . . . . . 16 LYS HG3 . 51537 2 213 . 1 . 1 16 16 LYS HD2 H 1 1.679 0.001 . 2 . . . . . 16 LYS HD2 . 51537 2 214 . 1 . 1 16 16 LYS HD3 H 1 1.679 0.001 . 2 . . . . . 16 LYS HD3 . 51537 2 215 . 1 . 1 16 16 LYS HE2 H 1 2.941 0.001 . 2 . . . . . 16 LYS HE2 . 51537 2 216 . 1 . 1 16 16 LYS HE3 H 1 2.941 0.001 . 2 . . . . . 16 LYS HE3 . 51537 2 217 . 1 . 1 16 16 LYS HZ1 H 1 7.679 0.000 . 1 . . . . . 16 LYS HZ1 . 51537 2 218 . 1 . 1 16 16 LYS HZ2 H 1 7.679 0.000 . 1 . . . . . 16 LYS HZ2 . 51537 2 219 . 1 . 1 16 16 LYS HZ3 H 1 7.679 0.000 . 1 . . . . . 16 LYS HZ3 . 51537 2 220 . 1 . 1 16 16 LYS CA C 13 57.638 0.000 . 1 . . . . . 16 LYS CA . 51537 2 221 . 1 . 1 16 16 LYS CB C 13 32.967 0.000 . 1 . . . . . 16 LYS CB . 51537 2 222 . 1 . 1 16 16 LYS CG C 13 25.126 0.013 . 1 . . . . . 16 LYS CG . 51537 2 223 . 1 . 1 16 16 LYS CD C 13 29.283 0.000 . 1 . . . . . 16 LYS CD . 51537 2 224 . 1 . 1 16 16 LYS CE C 13 42.044 0.000 . 1 . . . . . 16 LYS CE . 51537 2 225 . 1 . 1 17 17 LEU H H 1 7.868 0.003 . 1 . . . . . 17 LEU H . 51537 2 226 . 1 . 1 17 17 LEU HA H 1 4.148 0.002 . 1 . . . . . 17 LEU HA . 51537 2 227 . 1 . 1 17 17 LEU HB2 H 1 1.533 0.004 . 2 . . . . . 17 LEU HB2 . 51537 2 228 . 1 . 1 17 17 LEU HB3 H 1 1.666 0.006 . 2 . . . . . 17 LEU HB3 . 51537 2 229 . 1 . 1 17 17 LEU HG H 1 1.619 0.005 . 1 . . . . . 17 LEU HG . 51537 2 230 . 1 . 1 17 17 LEU HD11 H 1 0.806 0.004 . 2 . . . . . 17 LEU QD1 . 51537 2 231 . 1 . 1 17 17 LEU HD12 H 1 0.806 0.004 . 2 . . . . . 17 LEU QD1 . 51537 2 232 . 1 . 1 17 17 LEU HD13 H 1 0.806 0.004 . 2 . . . . . 17 LEU QD1 . 51537 2 233 . 1 . 1 17 17 LEU HD21 H 1 0.841 0.004 . 2 . . . . . 17 LEU QD2 . 51537 2 234 . 1 . 1 17 17 LEU HD22 H 1 0.841 0.004 . 2 . . . . . 17 LEU QD2 . 51537 2 235 . 1 . 1 17 17 LEU HD23 H 1 0.841 0.004 . 2 . . . . . 17 LEU QD2 . 51537 2 236 . 1 . 1 17 17 LEU CA C 13 56.187 0.000 . 1 . . . . . 17 LEU CA . 51537 2 237 . 1 . 1 17 17 LEU CB C 13 42.404 0.005 . 1 . . . . . 17 LEU CB . 51537 2 238 . 1 . 1 17 17 LEU CG C 13 26.891 0.000 . 1 . . . . . 17 LEU CG . 51537 2 239 . 1 . 1 17 17 LEU CD1 C 13 23.692 0.000 . 1 . . . . . 17 LEU CD1 . 51537 2 240 . 1 . 1 17 17 LEU CD2 C 13 25.234 0.000 . 1 . . . . . 17 LEU CD2 . 51537 2 241 . 1 . 1 18 18 ARG H H 1 8.010 0.002 . 1 . . . . . 18 ARG H . 51537 2 242 . 1 . 1 18 18 ARG HA H 1 4.208 0.003 . 1 . . . . . 18 ARG HA . 51537 2 243 . 1 . 1 18 18 ARG HB2 H 1 1.768 0.002 . 2 . . . . . 18 ARG HB2 . 51537 2 244 . 1 . 1 18 18 ARG HB3 H 1 1.894 0.003 . 2 . . . . . 18 ARG HB3 . 51537 2 245 . 1 . 1 18 18 ARG HG2 H 1 1.622 0.004 . 2 . . . . . 18 ARG HG2 . 51537 2 246 . 1 . 1 18 18 ARG HG3 H 1 1.747 0.003 . 2 . . . . . 18 ARG HG3 . 51537 2 247 . 1 . 1 18 18 ARG HD2 H 1 3.154 0.003 . 2 . . . . . 18 ARG HD2 . 51537 2 248 . 1 . 1 18 18 ARG HD3 H 1 3.154 0.003 . 2 . . . . . 18 ARG HD3 . 51537 2 249 . 1 . 1 18 18 ARG HE H 1 7.390 0.001 . 1 . . . . . 18 ARG HE . 51537 2 250 . 1 . 1 18 18 ARG CA C 13 56.853 0.000 . 1 . . . . . 18 ARG CA . 51537 2 251 . 1 . 1 18 18 ARG CB C 13 30.729 0.003 . 1 . . . . . 18 ARG CB . 51537 2 252 . 1 . 1 18 18 ARG CG C 13 27.473 0.000 . 1 . . . . . 18 ARG CG . 51537 2 253 . 1 . 1 18 18 ARG CD C 13 43.541 0.000 . 1 . . . . . 18 ARG CD . 51537 2 254 . 1 . 1 19 19 LYS H H 1 7.966 0.001 . 1 . . . . . 19 LYS H . 51537 2 255 . 1 . 1 19 19 LYS HA H 1 4.226 0.004 . 1 . . . . . 19 LYS HA . 51537 2 256 . 1 . 1 19 19 LYS HB2 H 1 1.841 0.001 . 2 . . . . . 19 LYS HB2 . 51537 2 257 . 1 . 1 19 19 LYS HB3 H 1 1.841 0.001 . 2 . . . . . 19 LYS HB3 . 51537 2 258 . 1 . 1 19 19 LYS HG2 H 1 1.447 0.004 . 2 . . . . . 19 LYS HG2 . 51537 2 259 . 1 . 1 19 19 LYS HG3 H 1 1.447 0.004 . 2 . . . . . 19 LYS HG3 . 51537 2 260 . 1 . 1 19 19 LYS HD2 H 1 1.685 0.001 . 2 . . . . . 19 LYS HD2 . 51537 2 261 . 1 . 1 19 19 LYS HD3 H 1 1.685 0.001 . 2 . . . . . 19 LYS HD3 . 51537 2 262 . 1 . 1 19 19 LYS HE2 H 1 2.972 0.005 . 2 . . . . . 19 LYS HE2 . 51537 2 263 . 1 . 1 19 19 LYS HE3 H 1 2.972 0.005 . 2 . . . . . 19 LYS HE3 . 51537 2 264 . 1 . 1 19 19 LYS HZ1 H 1 7.570 0.002 . 1 . . . . . 19 LYS HZ1 . 51537 2 265 . 1 . 1 19 19 LYS HZ2 H 1 7.570 0.002 . 1 . . . . . 19 LYS HZ2 . 51537 2 266 . 1 . 1 19 19 LYS HZ3 H 1 7.570 0.002 . 1 . . . . . 19 LYS HZ3 . 51537 2 267 . 1 . 1 19 19 LYS CA C 13 56.818 0.000 . 1 . . . . . 19 LYS CA . 51537 2 268 . 1 . 1 19 19 LYS CB C 13 32.661 0.000 . 1 . . . . . 19 LYS CB . 51537 2 269 . 1 . 1 19 19 LYS CG C 13 24.845 0.000 . 1 . . . . . 19 LYS CG . 51537 2 270 . 1 . 1 19 19 LYS CD C 13 29.105 0.000 . 1 . . . . . 19 LYS CD . 51537 2 271 . 1 . 1 19 19 LYS CE C 13 42.131 0.000 . 1 . . . . . 19 LYS CE . 51537 2 272 . 1 . 1 20 20 LYS H H 1 8.112 0.002 . 1 . . . . . 20 LYS H . 51537 2 273 . 1 . 1 20 20 LYS HA H 1 4.220 0.006 . 1 . . . . . 20 LYS HA . 51537 2 274 . 1 . 1 20 20 LYS HB2 H 1 1.833 0.003 . 2 . . . . . 20 LYS HB2 . 51537 2 275 . 1 . 1 20 20 LYS HB3 H 1 1.833 0.003 . 2 . . . . . 20 LYS HB3 . 51537 2 276 . 1 . 1 20 20 LYS HG2 H 1 1.472 0.004 . 2 . . . . . 20 LYS HG2 . 51537 2 277 . 1 . 1 20 20 LYS HG3 H 1 1.472 0.004 . 2 . . . . . 20 LYS HG3 . 51537 2 278 . 1 . 1 20 20 LYS HD2 H 1 1.680 0.002 . 2 . . . . . 20 LYS HD2 . 51537 2 279 . 1 . 1 20 20 LYS HD3 H 1 1.680 0.002 . 2 . . . . . 20 LYS HD3 . 51537 2 280 . 1 . 1 20 20 LYS HE2 H 1 2.987 0.005 . 2 . . . . . 20 LYS HE2 . 51537 2 281 . 1 . 1 20 20 LYS HE3 H 1 2.987 0.005 . 2 . . . . . 20 LYS HE3 . 51537 2 282 . 1 . 1 20 20 LYS HZ1 H 1 7.534 0.000 . 1 . . . . . 20 LYS HZ1 . 51537 2 283 . 1 . 1 20 20 LYS HZ2 H 1 7.534 0.000 . 1 . . . . . 20 LYS HZ2 . 51537 2 284 . 1 . 1 20 20 LYS HZ3 H 1 7.534 0.000 . 1 . . . . . 20 LYS HZ3 . 51537 2 285 . 1 . 1 20 20 LYS CA C 13 56.452 0.000 . 1 . . . . . 20 LYS CA . 51537 2 286 . 1 . 1 20 20 LYS CB C 13 32.974 0.000 . 1 . . . . . 20 LYS CB . 51537 2 287 . 1 . 1 20 20 LYS CG C 13 24.859 0.000 . 1 . . . . . 20 LYS CG . 51537 2 288 . 1 . 1 20 20 LYS CD C 13 29.124 0.000 . 1 . . . . . 20 LYS CD . 51537 2 289 . 1 . 1 20 20 LYS CE C 13 42.131 0.000 . 1 . . . . . 20 LYS CE . 51537 2 290 . 1 . 1 21 21 NH2 HN1 H 1 7.059 0.001 . 2 . . . . . 21 NH2 HN1 . 51537 2 291 . 1 . 1 21 21 NH2 HN2 H 1 7.479 0.001 . 2 . . . . . 21 NH2 HN2 . 51537 2 stop_ save_