################################### # 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 51528 _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 . _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 COSY' . . . 51528 1 2 '2D 1H-1H TOCSY' . . . 51528 1 3 '2D 1H-1H NOESY' . . . 51528 1 4 '2D 1H-13C HSQC aliphatic' . . . 51528 1 7 '2D 1H-1H TOCSY' . . . 51528 1 8 '2D 1H-1H NOESY' . . . 51528 1 9 '2D 1H-13C HSQC aliphatic' . . . 51528 1 10 '2D 1H-13C HSQC aromatic' . . . 51528 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 2 $software_2 . . 51528 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 ASN HA H 1 3.904 0.004 . 1 . . . . . 1 ASN HA . 51528 1 2 . 1 . 1 1 1 ASN HB2 H 1 2.602 0.003 . 2 . . . . . 1 ASN HB2 . 51528 1 3 . 1 . 1 1 1 ASN HB3 H 1 2.602 0.003 . 2 . . . . . 1 ASN HB3 . 51528 1 4 . 1 . 1 1 1 ASN HD21 H 1 6.631 0.000 . 2 . . . . . 1 ASN HD21 . 51528 1 5 . 1 . 1 1 1 ASN HD22 H 1 7.293 0.000 . 2 . . . . . 1 ASN HD22 . 51528 1 6 . 1 . 1 1 1 ASN CA C 13 53.660 0.000 . 1 . . . . . 1 ASN CA . 51528 1 7 . 1 . 1 1 1 ASN CB C 13 41.129 0.000 . 1 . . . . . 1 ASN CB . 51528 1 8 . 1 . 1 2 2 TRP HA H 1 4.415 0.005 . 1 . . . . . 2 TRP HA . 51528 1 9 . 1 . 1 2 2 TRP HB2 H 1 3.185 0.003 . 2 . . . . . 2 TRP HB2 . 51528 1 10 . 1 . 1 2 2 TRP HB3 H 1 3.185 0.003 . 2 . . . . . 2 TRP HB3 . 51528 1 11 . 1 . 1 2 2 TRP HD1 H 1 7.382 0.002 . 1 . . . . . 2 TRP HD1 . 51528 1 12 . 1 . 1 2 2 TRP HE3 H 1 7.496 0.003 . 1 . . . . . 2 TRP HE3 . 51528 1 13 . 1 . 1 2 2 TRP HZ2 H 1 7.476 0.004 . 1 . . . . . 2 TRP HZ2 . 51528 1 14 . 1 . 1 2 2 TRP HZ3 H 1 6.963 0.002 . 1 . . . . . 2 TRP HZ3 . 51528 1 15 . 1 . 1 2 2 TRP HH2 H 1 7.062 0.004 . 1 . . . . . 2 TRP HH2 . 51528 1 16 . 1 . 1 2 2 TRP CA C 13 58.884 0.000 . 1 . . . . . 2 TRP CA . 51528 1 17 . 1 . 1 2 2 TRP CB C 13 29.484 0.000 . 1 . . . . . 2 TRP CB . 51528 1 18 . 1 . 1 2 2 TRP CD1 C 13 127.360 0.077 . 1 . . . . . 2 TRP CD1 . 51528 1 19 . 1 . 1 2 2 TRP CE3 C 13 120.901 0.006 . 1 . . . . . 2 TRP CE3 . 51528 1 20 . 1 . 1 2 2 TRP CZ2 C 13 114.656 0.038 . 1 . . . . . 2 TRP CZ2 . 51528 1 21 . 1 . 1 2 2 TRP CZ3 C 13 121.411 0.003 . 1 . . . . . 2 TRP CZ3 . 51528 1 22 . 1 . 1 2 2 TRP CH2 C 13 124.001 0.004 . 1 . . . . . 2 TRP CH2 . 51528 1 23 . 1 . 1 3 3 PHE H H 1 7.634 0.002 . 1 . . . . . 3 PHE H . 51528 1 24 . 1 . 1 3 3 PHE HA H 1 4.491 0.005 . 1 . . . . . 3 PHE HA . 51528 1 25 . 1 . 1 3 3 PHE HB2 H 1 2.767 0.005 . 2 . . . . . 3 PHE HB2 . 51528 1 26 . 1 . 1 3 3 PHE HB3 H 1 2.841 0.006 . 2 . . . . . 3 PHE HB3 . 51528 1 27 . 1 . 1 3 3 PHE HD1 H 1 6.977 0.003 . 1 . . . . . 3 PHE HD1 . 51528 1 28 . 1 . 1 3 3 PHE HD2 H 1 6.977 0.003 . 1 . . . . . 3 PHE HD2 . 51528 1 29 . 1 . 1 3 3 PHE HE1 H 1 7.172 0.002 . 1 . . . . . 3 PHE HE1 . 51528 1 30 . 1 . 1 3 3 PHE HE2 H 1 7.172 0.002 . 1 . . . . . 3 PHE HE2 . 51528 1 31 . 1 . 1 3 3 PHE HZ H 1 7.101 0.002 . 1 . . . . . 3 PHE HZ . 51528 1 32 . 1 . 1 3 3 PHE CA C 13 57.090 0.000 . 1 . . . . . 3 PHE CA . 51528 1 33 . 1 . 1 3 3 PHE CB C 13 38.902 0.000 . 1 . . . . . 3 PHE CB . 51528 1 34 . 1 . 1 3 3 PHE CD1 C 13 131.977 0.002 . 1 . . . . . 3 PHE CD1 . 51528 1 35 . 1 . 1 3 3 PHE CE1 C 13 131.127 0.006 . 1 . . . . . 3 PHE CE1 . 51528 1 36 . 1 . 1 3 3 PHE CZ C 13 129.282 0.005 . 1 . . . . . 3 PHE CZ . 51528 1 37 . 1 . 1 5 5 ILE H H 1 8.251 0.002 . 1 . . . . . 5 ILE H . 51528 1 38 . 1 . 1 5 5 ILE HA H 1 3.819 0.005 . 1 . . . . . 5 ILE HA . 51528 1 39 . 1 . 1 5 5 ILE HB H 1 1.903 0.004 . 1 . . . . . 5 ILE HB . 51528 1 40 . 1 . 1 5 5 ILE HG12 H 1 1.237 0.005 . 2 . . . . . 5 ILE HG12 . 51528 1 41 . 1 . 1 5 5 ILE HG13 H 1 1.467 0.004 . 2 . . . . . 5 ILE HG13 . 51528 1 42 . 1 . 1 5 5 ILE HG21 H 1 0.853 0.003 . 1 . . . . . 5 ILE QG2 . 51528 1 43 . 1 . 1 5 5 ILE HG22 H 1 0.853 0.003 . 1 . . . . . 5 ILE QG2 . 51528 1 44 . 1 . 1 5 5 ILE HG23 H 1 0.853 0.003 . 1 . . . . . 5 ILE QG2 . 51528 1 45 . 1 . 1 5 5 ILE HD11 H 1 0.856 0.003 . 1 . . . . . 5 ILE QD1 . 51528 1 46 . 1 . 1 5 5 ILE HD12 H 1 0.856 0.003 . 1 . . . . . 5 ILE QD1 . 51528 1 47 . 1 . 1 5 5 ILE HD13 H 1 0.856 0.003 . 1 . . . . . 5 ILE QD1 . 51528 1 48 . 1 . 1 5 5 ILE CA C 13 63.090 0.000 . 1 . . . . . 5 ILE CA . 51528 1 49 . 1 . 1 5 5 ILE CB C 13 38.343 0.000 . 1 . . . . . 5 ILE CB . 51528 1 50 . 1 . 1 5 5 ILE CG1 C 13 28.318 0.000 . 1 . . . . . 5 ILE CG1 . 51528 1 51 . 1 . 1 5 5 ILE CG2 C 13 17.942 0.000 . 1 . . . . . 5 ILE CG2 . 51528 1 52 . 1 . 1 5 5 ILE CD1 C 13 14.176 0.000 . 1 . . . . . 5 ILE CD1 . 51528 1 53 . 1 . 1 6 6 THR H H 1 8.201 0.001 . 1 . . . . . 6 THR H . 51528 1 54 . 1 . 1 6 6 THR HA H 1 3.934 0.003 . 1 . . . . . 6 THR HA . 51528 1 55 . 1 . 1 6 6 THR HB H 1 4.172 0.002 . 1 . . . . . 6 THR HB . 51528 1 56 . 1 . 1 6 6 THR HG21 H 1 1.228 0.002 . 1 . . . . . 6 THR QG2 . 51528 1 57 . 1 . 1 6 6 THR HG22 H 1 1.228 0.002 . 1 . . . . . 6 THR QG2 . 51528 1 58 . 1 . 1 6 6 THR HG23 H 1 1.228 0.002 . 1 . . . . . 6 THR QG2 . 51528 1 59 . 1 . 1 6 6 THR CA C 13 66.111 0.000 . 1 . . . . . 6 THR CA . 51528 1 60 . 1 . 1 6 6 THR CB C 13 68.477 0.000 . 1 . . . . . 6 THR CB . 51528 1 61 . 1 . 1 6 6 THR CG2 C 13 21.989 0.000 . 1 . . . . . 6 THR CG2 . 51528 1 62 . 1 . 1 7 7 ASN H H 1 8.118 0.000 . 1 . . . . . 7 ASN H . 51528 1 63 . 1 . 1 7 7 ASN HB2 H 1 2.726 0.003 . 2 . . . . . 7 ASN HB2 . 51528 1 64 . 1 . 1 7 7 ASN HB3 H 1 2.838 0.005 . 2 . . . . . 7 ASN HB3 . 51528 1 65 . 1 . 1 7 7 ASN HD21 H 1 6.896 0.000 . 2 . . . . . 7 ASN HD21 . 51528 1 66 . 1 . 1 7 7 ASN HD22 H 1 7.751 0.001 . 2 . . . . . 7 ASN HD22 . 51528 1 67 . 1 . 1 8 8 TRP H H 1 7.999 0.003 . 1 . . . . . 8 TRP H . 51528 1 68 . 1 . 1 8 8 TRP HB2 H 1 3.393 0.003 . 2 . . . . . 8 TRP HB2 . 51528 1 69 . 1 . 1 8 8 TRP HB3 H 1 3.450 0.000 . 2 . . . . . 8 TRP HB3 . 51528 1 70 . 1 . 1 8 8 TRP HD1 H 1 7.329 0.003 . 1 . . . . . 8 TRP HD1 . 51528 1 71 . 1 . 1 8 8 TRP HE3 H 1 7.435 0.004 . 1 . . . . . 8 TRP HE3 . 51528 1 72 . 1 . 1 8 8 TRP HZ2 H 1 7.427 0.003 . 1 . . . . . 8 TRP HZ2 . 51528 1 73 . 1 . 1 8 8 TRP HZ3 H 1 6.870 0.003 . 1 . . . . . 8 TRP HZ3 . 51528 1 74 . 1 . 1 8 8 TRP HH2 H 1 7.024 0.006 . 1 . . . . . 8 TRP HH2 . 51528 1 75 . 1 . 1 8 8 TRP CD1 C 13 126.422 0.091 . 1 . . . . . 8 TRP CD1 . 51528 1 76 . 1 . 1 8 8 TRP CE3 C 13 119.915 0.000 . 1 . . . . . 8 TRP CE3 . 51528 1 77 . 1 . 1 8 8 TRP CZ2 C 13 114.570 0.045 . 1 . . . . . 8 TRP CZ2 . 51528 1 78 . 1 . 1 8 8 TRP CZ3 C 13 121.296 0.013 . 1 . . . . . 8 TRP CZ3 . 51528 1 79 . 1 . 1 8 8 TRP CH2 C 13 123.970 0.016 . 1 . . . . . 8 TRP CH2 . 51528 1 80 . 1 . 1 9 9 LEU H H 1 8.174 0.002 . 1 . . . . . 9 LEU H . 51528 1 81 . 1 . 1 9 9 LEU HA H 1 4.084 0.004 . 1 . . . . . 9 LEU HA . 51528 1 82 . 1 . 1 9 9 LEU HB2 H 1 1.657 0.005 . 2 . . . . . 9 LEU HB2 . 51528 1 83 . 1 . 1 9 9 LEU HB3 H 1 1.841 0.006 . 2 . . . . . 9 LEU HB3 . 51528 1 84 . 1 . 1 9 9 LEU HG H 1 1.845 0.004 . 1 . . . . . 9 LEU HG . 51528 1 85 . 1 . 1 9 9 LEU HD11 H 1 0.931 0.003 . 2 . . . . . 9 LEU QD1 . 51528 1 86 . 1 . 1 9 9 LEU HD12 H 1 0.931 0.003 . 2 . . . . . 9 LEU QD1 . 51528 1 87 . 1 . 1 9 9 LEU HD13 H 1 0.931 0.003 . 2 . . . . . 9 LEU QD1 . 51528 1 88 . 1 . 1 9 9 LEU HD21 H 1 0.985 0.003 . 2 . . . . . 9 LEU QD2 . 51528 1 89 . 1 . 1 9 9 LEU HD22 H 1 0.985 0.003 . 2 . . . . . 9 LEU QD2 . 51528 1 90 . 1 . 1 9 9 LEU HD23 H 1 0.985 0.003 . 2 . . . . . 9 LEU QD2 . 51528 1 91 . 1 . 1 9 9 LEU CA C 13 58.219 0.000 . 1 . . . . . 9 LEU CA . 51528 1 92 . 1 . 1 9 9 LEU CB C 13 41.691 0.000 . 1 . . . . . 9 LEU CB . 51528 1 93 . 1 . 1 9 9 LEU CG C 13 27.070 0.000 . 1 . . . . . 9 LEU CG . 51528 1 94 . 1 . 1 9 9 LEU CD1 C 13 24.052 0.000 . 1 . . . . . 9 LEU CD1 . 51528 1 95 . 1 . 1 9 9 LEU CD2 C 13 25.045 0.000 . 1 . . . . . 9 LEU CD2 . 51528 1 96 . 1 . 1 10 10 TRP H H 1 8.062 0.002 . 1 . . . . . 10 TRP H . 51528 1 97 . 1 . 1 10 10 TRP HA H 1 4.080 0.004 . 1 . . . . . 10 TRP HA . 51528 1 98 . 1 . 1 10 10 TRP HB2 H 1 3.219 0.007 . 2 . . . . . 10 TRP HB2 . 51528 1 99 . 1 . 1 10 10 TRP HB3 H 1 3.326 0.002 . 2 . . . . . 10 TRP HB3 . 51528 1 100 . 1 . 1 10 10 TRP HD1 H 1 7.174 0.003 . 1 . . . . . 10 TRP HD1 . 51528 1 101 . 1 . 1 10 10 TRP HE3 H 1 6.543 0.006 . 1 . . . . . 10 TRP HE3 . 51528 1 102 . 1 . 1 10 10 TRP HZ2 H 1 7.425 0.010 . 1 . . . . . 10 TRP HZ2 . 51528 1 103 . 1 . 1 10 10 TRP HZ3 H 1 6.741 0.006 . 1 . . . . . 10 TRP HZ3 . 51528 1 104 . 1 . 1 10 10 TRP HH2 H 1 7.024 0.008 . 1 . . . . . 10 TRP HH2 . 51528 1 105 . 1 . 1 10 10 TRP CA C 13 58.916 0.000 . 1 . . . . . 10 TRP CA . 51528 1 106 . 1 . 1 10 10 TRP CZ2 C 13 114.627 0.042 . 1 . . . . . 10 TRP CZ2 . 51528 1 107 . 1 . 1 11 11 TYR H H 1 7.657 0.002 . 1 . . . . . 11 TYR H . 51528 1 108 . 1 . 1 11 11 TYR HA H 1 4.015 0.003 . 1 . . . . . 11 TYR HA . 51528 1 109 . 1 . 1 11 11 TYR HB2 H 1 3.016 0.002 . 2 . . . . . 11 TYR HB2 . 51528 1 110 . 1 . 1 11 11 TYR HB3 H 1 3.188 0.007 . 2 . . . . . 11 TYR HB3 . 51528 1 111 . 1 . 1 11 11 TYR HD1 H 1 7.217 0.003 . 1 . . . . . 11 TYR HD1 . 51528 1 112 . 1 . 1 11 11 TYR HD2 H 1 7.217 0.003 . 1 . . . . . 11 TYR HD2 . 51528 1 113 . 1 . 1 11 11 TYR HE1 H 1 6.838 0.003 . 1 . . . . . 11 TYR HE1 . 51528 1 114 . 1 . 1 11 11 TYR HE2 H 1 6.838 0.003 . 1 . . . . . 11 TYR HE2 . 51528 1 115 . 1 . 1 11 11 TYR CD1 C 13 132.865 0.007 . 1 . . . . . 11 TYR CD1 . 51528 1 116 . 1 . 1 11 11 TYR CE1 C 13 118.317 0.041 . 1 . . . . . 11 TYR CE1 . 51528 1 117 . 1 . 1 12 12 ILE H H 1 8.141 0.004 . 1 . . . . . 12 ILE H . 51528 1 118 . 1 . 1 12 12 ILE HA H 1 3.746 0.002 . 1 . . . . . 12 ILE HA . 51528 1 119 . 1 . 1 12 12 ILE HB H 1 2.117 0.003 . 1 . . . . . 12 ILE HB . 51528 1 120 . 1 . 1 12 12 ILE HG12 H 1 1.194 0.005 . 2 . . . . . 12 ILE HG12 . 51528 1 121 . 1 . 1 12 12 ILE HG13 H 1 1.976 0.005 . 2 . . . . . 12 ILE HG13 . 51528 1 122 . 1 . 1 12 12 ILE HG21 H 1 0.990 0.004 . 1 . . . . . 12 ILE QG2 . 51528 1 123 . 1 . 1 12 12 ILE HG22 H 1 0.990 0.004 . 1 . . . . . 12 ILE QG2 . 51528 1 124 . 1 . 1 12 12 ILE HG23 H 1 0.990 0.004 . 1 . . . . . 12 ILE QG2 . 51528 1 125 . 1 . 1 12 12 ILE HD11 H 1 0.963 0.002 . 1 . . . . . 12 ILE QD1 . 51528 1 126 . 1 . 1 12 12 ILE HD12 H 1 0.963 0.002 . 1 . . . . . 12 ILE QD1 . 51528 1 127 . 1 . 1 12 12 ILE HD13 H 1 0.963 0.002 . 1 . . . . . 12 ILE QD1 . 51528 1 128 . 1 . 1 12 12 ILE CA C 13 65.379 0.000 . 1 . . . . . 12 ILE CA . 51528 1 129 . 1 . 1 12 12 ILE CB C 13 37.770 0.000 . 1 . . . . . 12 ILE CB . 51528 1 130 . 1 . 1 12 12 ILE CG1 C 13 29.713 0.000 . 1 . . . . . 12 ILE CG1 . 51528 1 131 . 1 . 1 12 12 ILE CG2 C 13 17.760 0.000 . 1 . . . . . 12 ILE CG2 . 51528 1 132 . 1 . 1 12 12 ILE CD1 C 13 13.249 0.000 . 1 . . . . . 12 ILE CD1 . 51528 1 133 . 1 . 1 13 13 LYS H H 1 8.318 0.003 . 1 . . . . . 13 LYS H . 51528 1 134 . 1 . 1 13 13 LYS HA H 1 3.825 0.003 . 1 . . . . . 13 LYS HA . 51528 1 135 . 1 . 1 13 13 LYS HB2 H 1 1.810 0.004 . 2 . . . . . 13 LYS HB2 . 51528 1 136 . 1 . 1 13 13 LYS HB3 H 1 1.810 0.004 . 2 . . . . . 13 LYS HB3 . 51528 1 137 . 1 . 1 13 13 LYS HG2 H 1 1.329 0.003 . 2 . . . . . 13 LYS HG2 . 51528 1 138 . 1 . 1 13 13 LYS HG3 H 1 1.580 0.003 . 2 . . . . . 13 LYS HG3 . 51528 1 139 . 1 . 1 13 13 LYS HD2 H 1 1.662 0.002 . 2 . . . . . 13 LYS HD2 . 51528 1 140 . 1 . 1 13 13 LYS HD3 H 1 1.662 0.002 . 2 . . . . . 13 LYS HD3 . 51528 1 141 . 1 . 1 13 13 LYS HE2 H 1 2.835 0.002 . 2 . . . . . 13 LYS HE2 . 51528 1 142 . 1 . 1 13 13 LYS HE3 H 1 2.878 0.007 . 2 . . . . . 13 LYS HE3 . 51528 1 143 . 1 . 1 13 13 LYS CA C 13 60.510 0.000 . 1 . . . . . 13 LYS CA . 51528 1 144 . 1 . 1 13 13 LYS CB C 13 31.903 0.000 . 1 . . . . . 13 LYS CB . 51528 1 145 . 1 . 1 13 13 LYS CG C 13 26.098 0.007 . 1 . . . . . 13 LYS CG . 51528 1 146 . 1 . 1 13 13 LYS CE C 13 41.751 0.003 . 1 . . . . . 13 LYS CE . 51528 1 147 . 1 . 1 14 14 LEU H H 1 7.679 0.003 . 1 . . . . . 14 LEU H . 51528 1 148 . 1 . 1 14 14 LEU HA H 1 3.878 0.003 . 1 . . . . . 14 LEU HA . 51528 1 149 . 1 . 1 14 14 LEU HB2 H 1 1.155 0.005 . 2 . . . . . 14 LEU HB2 . 51528 1 150 . 1 . 1 14 14 LEU HB3 H 1 1.587 0.005 . 2 . . . . . 14 LEU HB3 . 51528 1 151 . 1 . 1 14 14 LEU HG H 1 1.367 0.003 . 1 . . . . . 14 LEU HG . 51528 1 152 . 1 . 1 14 14 LEU HD11 H 1 0.591 0.003 . 2 . . . . . 14 LEU QD1 . 51528 1 153 . 1 . 1 14 14 LEU HD12 H 1 0.591 0.003 . 2 . . . . . 14 LEU QD1 . 51528 1 154 . 1 . 1 14 14 LEU HD13 H 1 0.591 0.003 . 2 . . . . . 14 LEU QD1 . 51528 1 155 . 1 . 1 14 14 LEU HD21 H 1 0.725 0.001 . 2 . . . . . 14 LEU QD2 . 51528 1 156 . 1 . 1 14 14 LEU HD22 H 1 0.725 0.001 . 2 . . . . . 14 LEU QD2 . 51528 1 157 . 1 . 1 14 14 LEU HD23 H 1 0.725 0.001 . 2 . . . . . 14 LEU QD2 . 51528 1 158 . 1 . 1 14 14 LEU CA C 13 58.077 0.000 . 1 . . . . . 14 LEU CA . 51528 1 159 . 1 . 1 14 14 LEU CB C 13 41.332 0.027 . 1 . . . . . 14 LEU CB . 51528 1 160 . 1 . 1 14 14 LEU CG C 13 26.910 0.000 . 1 . . . . . 14 LEU CG . 51528 1 161 . 1 . 1 14 14 LEU CD1 C 13 23.996 0.000 . 1 . . . . . 14 LEU CD1 . 51528 1 162 . 1 . 1 14 14 LEU CD2 C 13 25.068 0.000 . 1 . . . . . 14 LEU CD2 . 51528 1 163 . 1 . 1 15 15 PHE H H 1 8.268 0.003 . 1 . . . . . 15 PHE H . 51528 1 164 . 1 . 1 15 15 PHE HA H 1 4.098 0.005 . 1 . . . . . 15 PHE HA . 51528 1 165 . 1 . 1 15 15 PHE HB2 H 1 3.197 0.003 . 2 . . . . . 15 PHE HB2 . 51528 1 166 . 1 . 1 15 15 PHE HB3 H 1 3.344 0.004 . 2 . . . . . 15 PHE HB3 . 51528 1 167 . 1 . 1 15 15 PHE HD1 H 1 7.077 0.003 . 1 . . . . . 15 PHE HD1 . 51528 1 168 . 1 . 1 15 15 PHE HD2 H 1 7.077 0.003 . 1 . . . . . 15 PHE HD2 . 51528 1 169 . 1 . 1 15 15 PHE HE1 H 1 7.087 0.003 . 1 . . . . . 15 PHE HE1 . 51528 1 170 . 1 . 1 15 15 PHE HE2 H 1 7.087 0.003 . 1 . . . . . 15 PHE HE2 . 51528 1 171 . 1 . 1 15 15 PHE HZ H 1 7.042 0.003 . 1 . . . . . 15 PHE HZ . 51528 1 172 . 1 . 1 15 15 PHE CD1 C 13 131.424 0.005 . 1 . . . . . 15 PHE CD1 . 51528 1 173 . 1 . 1 15 15 PHE CE1 C 13 130.600 0.004 . 1 . . . . . 15 PHE CE1 . 51528 1 174 . 1 . 1 15 15 PHE CZ C 13 128.978 0.036 . 1 . . . . . 15 PHE CZ . 51528 1 175 . 1 . 1 16 16 ILE H H 1 8.409 0.002 . 1 . . . . . 16 ILE H . 51528 1 176 . 1 . 1 16 16 ILE HA H 1 3.452 0.002 . 1 . . . . . 16 ILE HA . 51528 1 177 . 1 . 1 16 16 ILE HB H 1 1.995 0.002 . 1 . . . . . 16 ILE HB . 51528 1 178 . 1 . 1 16 16 ILE HG12 H 1 1.154 0.005 . 2 . . . . . 16 ILE HG12 . 51528 1 179 . 1 . 1 16 16 ILE HG13 H 1 1.963 0.003 . 2 . . . . . 16 ILE HG13 . 51528 1 180 . 1 . 1 16 16 ILE HG21 H 1 0.906 0.002 . 1 . . . . . 16 ILE QG2 . 51528 1 181 . 1 . 1 16 16 ILE HG22 H 1 0.906 0.002 . 1 . . . . . 16 ILE QG2 . 51528 1 182 . 1 . 1 16 16 ILE HG23 H 1 0.906 0.002 . 1 . . . . . 16 ILE QG2 . 51528 1 183 . 1 . 1 16 16 ILE HD11 H 1 0.866 0.003 . 1 . . . . . 16 ILE QD1 . 51528 1 184 . 1 . 1 16 16 ILE HD12 H 1 0.866 0.003 . 1 . . . . . 16 ILE QD1 . 51528 1 185 . 1 . 1 16 16 ILE HD13 H 1 0.866 0.003 . 1 . . . . . 16 ILE QD1 . 51528 1 186 . 1 . 1 16 16 ILE CA C 13 65.367 0.000 . 1 . . . . . 16 ILE CA . 51528 1 187 . 1 . 1 16 16 ILE CB C 13 37.861 0.000 . 1 . . . . . 16 ILE CB . 51528 1 188 . 1 . 1 16 16 ILE CG1 C 13 29.584 0.000 . 1 . . . . . 16 ILE CG1 . 51528 1 189 . 1 . 1 16 16 ILE CG2 C 13 17.549 0.000 . 1 . . . . . 16 ILE CG2 . 51528 1 190 . 1 . 1 16 16 ILE CD1 C 13 13.937 0.000 . 1 . . . . . 16 ILE CD1 . 51528 1 191 . 1 . 1 17 17 MET H H 1 8.005 0.004 . 1 . . . . . 17 MET H . 51528 1 192 . 1 . 1 17 17 MET HA H 1 4.071 0.004 . 1 . . . . . 17 MET HA . 51528 1 193 . 1 . 1 17 17 MET HB2 H 1 2.185 0.002 . 2 . . . . . 17 MET HB2 . 51528 1 194 . 1 . 1 17 17 MET HB3 H 1 2.271 0.004 . 2 . . . . . 17 MET HB3 . 51528 1 195 . 1 . 1 17 17 MET HG2 H 1 2.481 0.003 . 2 . . . . . 17 MET HG2 . 51528 1 196 . 1 . 1 17 17 MET HG3 H 1 2.729 0.002 . 2 . . . . . 17 MET HG3 . 51528 1 197 . 1 . 1 17 17 MET HE1 H 1 2.033 0.002 . 1 . . . . . 17 MET HE# . 51528 1 198 . 1 . 1 17 17 MET HE2 H 1 2.033 0.002 . 1 . . . . . 17 MET HE# . 51528 1 199 . 1 . 1 17 17 MET HE3 H 1 2.033 0.002 . 1 . . . . . 17 MET HE# . 51528 1 200 . 1 . 1 17 17 MET CA C 13 58.292 0.000 . 1 . . . . . 17 MET CA . 51528 1 201 . 1 . 1 17 17 MET CB C 13 32.480 0.006 . 1 . . . . . 17 MET CB . 51528 1 202 . 1 . 1 17 17 MET CG C 13 32.113 0.008 . 1 . . . . . 17 MET CG . 51528 1 203 . 1 . 1 17 17 MET CE C 13 17.023 0.000 . 1 . . . . . 17 MET CE . 51528 1 204 . 1 . 1 18 18 ILE H H 1 8.181 0.004 . 1 . . . . . 18 ILE H . 51528 1 205 . 1 . 1 18 18 ILE HA H 1 3.679 0.004 . 1 . . . . . 18 ILE HA . 51528 1 206 . 1 . 1 18 18 ILE HB H 1 1.923 0.004 . 1 . . . . . 18 ILE HB . 51528 1 207 . 1 . 1 18 18 ILE HG12 H 1 1.123 0.005 . 2 . . . . . 18 ILE HG12 . 51528 1 208 . 1 . 1 18 18 ILE HG13 H 1 1.783 0.003 . 2 . . . . . 18 ILE HG13 . 51528 1 209 . 1 . 1 18 18 ILE HG21 H 1 0.852 0.002 . 1 . . . . . 18 ILE QG2 . 51528 1 210 . 1 . 1 18 18 ILE HG22 H 1 0.852 0.002 . 1 . . . . . 18 ILE QG2 . 51528 1 211 . 1 . 1 18 18 ILE HG23 H 1 0.852 0.002 . 1 . . . . . 18 ILE QG2 . 51528 1 212 . 1 . 1 18 18 ILE HD11 H 1 0.819 0.002 . 1 . . . . . 18 ILE QD1 . 51528 1 213 . 1 . 1 18 18 ILE HD12 H 1 0.819 0.002 . 1 . . . . . 18 ILE QD1 . 51528 1 214 . 1 . 1 18 18 ILE HD13 H 1 0.819 0.002 . 1 . . . . . 18 ILE QD1 . 51528 1 215 . 1 . 1 18 18 ILE CA C 13 64.969 0.000 . 1 . . . . . 18 ILE CA . 51528 1 216 . 1 . 1 18 18 ILE CB C 13 37.935 0.000 . 1 . . . . . 18 ILE CB . 51528 1 217 . 1 . 1 18 18 ILE CG2 C 13 17.554 0.000 . 1 . . . . . 18 ILE CG2 . 51528 1 218 . 1 . 1 18 18 ILE CD1 C 13 13.586 0.000 . 1 . . . . . 18 ILE CD1 . 51528 1 219 . 1 . 1 19 19 VAL H H 1 8.173 0.002 . 1 . . . . . 19 VAL H . 51528 1 220 . 1 . 1 19 19 VAL HA H 1 3.539 0.002 . 1 . . . . . 19 VAL HA . 51528 1 221 . 1 . 1 19 19 VAL HB H 1 1.909 0.003 . 1 . . . . . 19 VAL HB . 51528 1 222 . 1 . 1 19 19 VAL HG11 H 1 0.745 0.003 . 2 . . . . . 19 VAL QG1 . 51528 1 223 . 1 . 1 19 19 VAL HG12 H 1 0.745 0.003 . 2 . . . . . 19 VAL QG1 . 51528 1 224 . 1 . 1 19 19 VAL HG13 H 1 0.745 0.003 . 2 . . . . . 19 VAL QG1 . 51528 1 225 . 1 . 1 19 19 VAL HG21 H 1 0.636 0.002 . 2 . . . . . 19 VAL QG2 . 51528 1 226 . 1 . 1 19 19 VAL HG22 H 1 0.636 0.002 . 2 . . . . . 19 VAL QG2 . 51528 1 227 . 1 . 1 19 19 VAL HG23 H 1 0.636 0.002 . 2 . . . . . 19 VAL QG2 . 51528 1 228 . 1 . 1 19 19 VAL CA C 13 66.088 0.000 . 1 . . . . . 19 VAL CA . 51528 1 229 . 1 . 1 19 19 VAL CB C 13 31.419 0.000 . 1 . . . . . 19 VAL CB . 51528 1 230 . 1 . 1 19 19 VAL CG1 C 13 21.929 0.000 . 1 . . . . . 19 VAL CG1 . 51528 1 231 . 1 . 1 19 19 VAL CG2 C 13 22.495 0.000 . 1 . . . . . 19 VAL CG2 . 51528 1 232 . 1 . 1 20 20 GLY H H 1 8.154 0.007 . 1 . . . . . 20 GLY H . 51528 1 233 . 1 . 1 20 20 GLY HA2 H 1 3.691 0.000 . 2 . . . . . 20 GLY HA2 . 51528 1 234 . 1 . 1 20 20 GLY HA3 H 1 3.836 0.001 . 2 . . . . . 20 GLY HA3 . 51528 1 235 . 1 . 1 21 21 LYS H H 1 7.731 0.003 . 1 . . . . . 21 LYS H . 51528 1 236 . 1 . 1 21 21 LYS HA H 1 4.174 0.002 . 1 . . . . . 21 LYS HA . 51528 1 237 . 1 . 1 21 21 LYS HB2 H 1 1.887 0.004 . 2 . . . . . 21 LYS HB2 . 51528 1 238 . 1 . 1 21 21 LYS HB3 H 1 1.946 0.004 . 2 . . . . . 21 LYS HB3 . 51528 1 239 . 1 . 1 21 21 LYS HG2 H 1 1.528 0.004 . 2 . . . . . 21 LYS HG2 . 51528 1 240 . 1 . 1 21 21 LYS HG3 H 1 1.528 0.004 . 2 . . . . . 21 LYS HG3 . 51528 1 241 . 1 . 1 21 21 LYS HD2 H 1 1.679 0.004 . 2 . . . . . 21 LYS HD2 . 51528 1 242 . 1 . 1 21 21 LYS HD3 H 1 1.679 0.004 . 2 . . . . . 21 LYS HD3 . 51528 1 243 . 1 . 1 21 21 LYS HE2 H 1 2.943 0.007 . 2 . . . . . 21 LYS HE2 . 51528 1 244 . 1 . 1 21 21 LYS HE3 H 1 2.943 0.007 . 2 . . . . . 21 LYS HE3 . 51528 1 245 . 1 . 1 21 21 LYS CA C 13 57.549 0.000 . 1 . . . . . 21 LYS CA . 51528 1 246 . 1 . 1 21 21 LYS CB C 13 32.581 0.004 . 1 . . . . . 21 LYS CB . 51528 1 247 . 1 . 1 21 21 LYS CG C 13 25.184 0.000 . 1 . . . . . 21 LYS CG . 51528 1 248 . 1 . 1 21 21 LYS CD C 13 29.550 0.000 . 1 . . . . . 21 LYS CD . 51528 1 249 . 1 . 1 21 21 LYS CE C 13 41.761 0.000 . 1 . . . . . 21 LYS CE . 51528 1 250 . 1 . 1 22 22 LYS H H 1 7.949 0.003 . 1 . . . . . 22 LYS H . 51528 1 251 . 1 . 1 22 22 LYS HA H 1 4.188 0.005 . 1 . . . . . 22 LYS HA . 51528 1 252 . 1 . 1 22 22 LYS HB2 H 1 1.831 0.003 . 2 . . . . . 22 LYS HB2 . 51528 1 253 . 1 . 1 22 22 LYS HB3 H 1 1.918 0.004 . 2 . . . . . 22 LYS HB3 . 51528 1 254 . 1 . 1 22 22 LYS HG2 H 1 1.487 0.005 . 2 . . . . . 22 LYS HG2 . 51528 1 255 . 1 . 1 22 22 LYS HG3 H 1 1.487 0.005 . 2 . . . . . 22 LYS HG3 . 51528 1 256 . 1 . 1 22 22 LYS HD2 H 1 1.671 0.005 . 2 . . . . . 22 LYS HD2 . 51528 1 257 . 1 . 1 22 22 LYS HD3 H 1 1.671 0.005 . 2 . . . . . 22 LYS HD3 . 51528 1 258 . 1 . 1 22 22 LYS HE2 H 1 2.938 0.004 . 2 . . . . . 22 LYS HE2 . 51528 1 259 . 1 . 1 22 22 LYS HE3 H 1 2.938 0.004 . 2 . . . . . 22 LYS HE3 . 51528 1 260 . 1 . 1 22 22 LYS CA C 13 56.964 0.000 . 1 . . . . . 22 LYS CA . 51528 1 261 . 1 . 1 22 22 LYS CB C 13 32.596 0.010 . 1 . . . . . 22 LYS CB . 51528 1 262 . 1 . 1 22 22 LYS CG C 13 24.947 0.000 . 1 . . . . . 22 LYS CG . 51528 1 263 . 1 . 1 22 22 LYS CD C 13 29.566 0.000 . 1 . . . . . 22 LYS CD . 51528 1 264 . 1 . 1 22 22 LYS CE C 13 41.729 0.000 . 1 . . . . . 22 LYS CE . 51528 1 265 . 1 . 1 23 23 LYS H H 1 8.109 0.007 . 1 . . . . . 23 LYS H . 51528 1 266 . 1 . 1 23 23 LYS HA H 1 4.235 0.000 . 1 . . . . . 23 LYS HA . 51528 1 267 . 1 . 1 23 23 LYS HB2 H 1 1.795 0.007 . 2 . . . . . 23 LYS HB2 . 51528 1 268 . 1 . 1 23 23 LYS HB3 H 1 1.867 0.000 . 2 . . . . . 23 LYS HB3 . 51528 1 269 . 1 . 1 23 23 LYS HG2 H 1 1.481 0.000 . 2 . . . . . 23 LYS HG2 . 51528 1 270 . 1 . 1 23 23 LYS HG3 H 1 1.481 0.000 . 2 . . . . . 23 LYS HG3 . 51528 1 271 . 1 . 1 23 23 LYS HE2 H 1 2.934 0.004 . 2 . . . . . 23 LYS HE2 . 51528 1 272 . 1 . 1 23 23 LYS HE3 H 1 2.934 0.004 . 2 . . . . . 23 LYS HE3 . 51528 1 273 . 1 . 1 23 23 LYS CA C 13 56.705 0.000 . 1 . . . . . 23 LYS CA . 51528 1 274 . 1 . 1 25 25 LYS HA H 1 4.232 0.004 . 1 . . . . . 25 LYS HA . 51528 1 275 . 1 . 1 25 25 LYS HB2 H 1 1.799 0.004 . 2 . . . . . 25 LYS HB2 . 51528 1 276 . 1 . 1 25 25 LYS HB3 H 1 1.854 0.001 . 2 . . . . . 25 LYS HB3 . 51528 1 277 . 1 . 1 25 25 LYS HG2 H 1 1.473 0.005 . 2 . . . . . 25 LYS HG2 . 51528 1 278 . 1 . 1 25 25 LYS HG3 H 1 1.473 0.005 . 2 . . . . . 25 LYS HG3 . 51528 1 279 . 1 . 1 25 25 LYS HD2 H 1 1.678 0.002 . 2 . . . . . 25 LYS HD2 . 51528 1 280 . 1 . 1 25 25 LYS HD3 H 1 1.678 0.002 . 2 . . . . . 25 LYS HD3 . 51528 1 281 . 1 . 1 25 25 LYS HE2 H 1 2.979 0.003 . 2 . . . . . 25 LYS HE2 . 51528 1 282 . 1 . 1 25 25 LYS HE3 H 1 2.979 0.003 . 2 . . . . . 25 LYS HE3 . 51528 1 283 . 1 . 1 25 25 LYS CA C 13 56.192 0.000 . 1 . . . . . 25 LYS CA . 51528 1 284 . 1 . 1 25 25 LYS CB C 13 32.987 0.005 . 1 . . . . . 25 LYS CB . 51528 1 285 . 1 . 1 25 25 LYS CG C 13 24.847 0.000 . 1 . . . . . 25 LYS CG . 51528 1 286 . 1 . 1 25 25 LYS CD C 13 28.973 0.000 . 1 . . . . . 25 LYS CD . 51528 1 287 . 1 . 1 25 25 LYS CE C 13 41.881 0.000 . 1 . . . . . 25 LYS CE . 51528 1 stop_ save_