################################### # 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 21098 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21098 1 3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 21098 1 4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 21098 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 $CCPNMR . . 21098 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 THR HA H 1 4.07 0.02 . 1 . . . . . 1 THR HA . 21098 1 2 . 1 . 1 1 1 THR HB H 1 4.29 0.02 . 1 . . . . . 1 THR HB . 21098 1 3 . 1 . 1 1 1 THR HG21 H 1 1.41 0.02 . 1 . . . . . 1 THR MG . 21098 1 4 . 1 . 1 1 1 THR HG22 H 1 1.41 0.02 . 1 . . . . . 1 THR MG . 21098 1 5 . 1 . 1 1 1 THR HG23 H 1 1.41 0.02 . 1 . . . . . 1 THR MG . 21098 1 6 . 1 . 1 1 1 THR CA C 13 60.12 0.1 . 1 . . . . . 1 THR CA . 21098 1 7 . 1 . 1 1 1 THR CB C 13 69.65 0.1 . 1 . . . . . 1 THR CB . 21098 1 8 . 1 . 1 1 1 THR CG2 C 13 20.93 0.1 . 1 . . . . . 1 THR CG2 . 21098 1 9 . 1 . 1 2 2 ILE H H 1 8.52 0.02 . 1 . . . . . 2 ILE H . 21098 1 10 . 1 . 1 2 2 ILE HA H 1 4.34 0.02 . 1 . . . . . 2 ILE HA . 21098 1 11 . 1 . 1 2 2 ILE HB H 1 1.84 0.02 . 1 . . . . . 2 ILE HB . 21098 1 12 . 1 . 1 2 2 ILE HD11 H 1 0.87 0.02 . 1 . . . . . 2 ILE MD . 21098 1 13 . 1 . 1 2 2 ILE HD12 H 1 0.87 0.02 . 1 . . . . . 2 ILE MD . 21098 1 14 . 1 . 1 2 2 ILE HD13 H 1 0.87 0.02 . 1 . . . . . 2 ILE MD . 21098 1 15 . 1 . 1 2 2 ILE HG12 H 1 1.15 0.02 . 2 . . . . . 2 ILE HG12 . 21098 1 16 . 1 . 1 2 2 ILE HG13 H 1 1.42 0.02 . 2 . . . . . 2 ILE HG13 . 21098 1 17 . 1 . 1 2 2 ILE HG21 H 1 0.90 0.02 . 1 . . . . . 2 ILE MG . 21098 1 18 . 1 . 1 2 2 ILE HG22 H 1 0.90 0.02 . 1 . . . . . 2 ILE MG . 21098 1 19 . 1 . 1 2 2 ILE HG23 H 1 0.90 0.02 . 1 . . . . . 2 ILE MG . 21098 1 20 . 1 . 1 2 2 ILE CA C 13 60.59 0.1 . 1 . . . . . 2 ILE CA . 21098 1 21 . 1 . 1 2 2 ILE CB C 13 39.96 0.1 . 1 . . . . . 2 ILE CB . 21098 1 22 . 1 . 1 2 2 ILE CD1 C 13 13.12 0.1 . 1 . . . . . 2 ILE CD1 . 21098 1 23 . 1 . 1 2 2 ILE CG1 C 13 26.99 0.1 . 1 . . . . . 2 ILE CG1 . 21098 1 24 . 1 . 1 2 2 ILE CG2 C 13 17.29 0.1 . 1 . . . . . 2 ILE CG2 . 21098 1 25 . 1 . 1 2 2 ILE N N 15 121.18 0.1 . 1 . . . . . 2 ILE N . 21098 1 26 . 1 . 1 3 3 ILE H H 1 8.29 0.02 . 1 . . . . . 3 ILE H . 21098 1 27 . 1 . 1 3 3 ILE HA H 1 4.12 0.02 . 1 . . . . . 3 ILE HA . 21098 1 28 . 1 . 1 3 3 ILE HB H 1 1.80 0.02 . 1 . . . . . 3 ILE HB . 21098 1 29 . 1 . 1 3 3 ILE HD11 H 1 0.87 0.02 . 1 . . . . . 3 ILE MD . 21098 1 30 . 1 . 1 3 3 ILE HD12 H 1 0.87 0.02 . 1 . . . . . 3 ILE MD . 21098 1 31 . 1 . 1 3 3 ILE HD13 H 1 0.87 0.02 . 1 . . . . . 3 ILE MD . 21098 1 32 . 1 . 1 3 3 ILE HG12 H 1 1.15 0.02 . 2 . . . . . 3 ILE HG12 . 21098 1 33 . 1 . 1 3 3 ILE HG13 H 1 1.47 0.02 . 2 . . . . . 3 ILE HG13 . 21098 1 34 . 1 . 1 3 3 ILE HG21 H 1 0.88 0.02 . 1 . . . . . 3 ILE MG . 21098 1 35 . 1 . 1 3 3 ILE HG22 H 1 0.88 0.02 . 1 . . . . . 3 ILE MG . 21098 1 36 . 1 . 1 3 3 ILE HG23 H 1 0.88 0.02 . 1 . . . . . 3 ILE MG . 21098 1 37 . 1 . 1 3 3 ILE CA C 13 61.01 0.1 . 1 . . . . . 3 ILE CA . 21098 1 38 . 1 . 1 3 3 ILE CB C 13 38.95 0.1 . 1 . . . . . 3 ILE CB . 21098 1 39 . 1 . 1 3 3 ILE CD1 C 13 13.08 0.1 . 1 . . . . . 3 ILE CD1 . 21098 1 40 . 1 . 1 3 3 ILE CG1 C 13 27.58 0.1 . 1 . . . . . 3 ILE CG1 . 21098 1 41 . 1 . 1 3 3 ILE CG2 C 13 17.29 0.1 . 1 . . . . . 3 ILE CG2 . 21098 1 42 . 1 . 1 3 3 ILE N N 15 124.08 0.1 . 1 . . . . . 3 ILE N . 21098 1 43 . 1 . 1 4 4 ASN H H 1 8.53 0.02 . 1 . . . . . 4 ASN H . 21098 1 44 . 1 . 1 4 4 ASN HA H 1 4.68 0.02 . 1 . . . . . 4 ASN HA . 21098 1 45 . 1 . 1 4 4 ASN HB2 H 1 2.76 0.02 . 2 . . . . . 4 ASN HB2 . 21098 1 46 . 1 . 1 4 4 ASN HB3 H 1 2.71 0.02 . 2 . . . . . 4 ASN HB3 . 21098 1 47 . 1 . 1 4 4 ASN HD21 H 1 6.86 0.02 . 2 . . . . . 4 ASN HD21 . 21098 1 48 . 1 . 1 4 4 ASN HD22 H 1 7.58 0.02 . 2 . . . . . 4 ASN HD22 . 21098 1 49 . 1 . 1 4 4 ASN CA C 13 53.05 0.1 . 1 . . . . . 4 ASN CA . 21098 1 50 . 1 . 1 4 4 ASN CB C 13 39.04 0.1 . 1 . . . . . 4 ASN CB . 21098 1 51 . 1 . 1 4 4 ASN N N 15 123.86 0.1 . 1 . . . . . 4 ASN N . 21098 1 52 . 1 . 1 4 4 ASN ND2 N 15 112.76 0.1 . 1 . . . . . 4 ASN ND2 . 21098 1 53 . 1 . 1 5 5 ALA H H 1 8.23 0.02 . 1 . . . . . 5 ALA H . 21098 1 54 . 1 . 1 5 5 ALA HA H 1 4.57 0.02 . 1 . . . . . 5 ALA HA . 21098 1 55 . 1 . 1 5 5 ALA HB1 H 1 1.34 0.02 . 1 . . . . . 5 ALA MB . 21098 1 56 . 1 . 1 5 5 ALA HB2 H 1 1.34 0.02 . 1 . . . . . 5 ALA MB . 21098 1 57 . 1 . 1 5 5 ALA HB3 H 1 1.34 0.02 . 1 . . . . . 5 ALA MB . 21098 1 58 . 1 . 1 5 5 ALA CA C 13 50.62 0.1 . 1 . . . . . 5 ALA CA . 21098 1 59 . 1 . 1 5 5 ALA CB C 13 18.41 0.1 . 1 . . . . . 5 ALA CB . 21098 1 60 . 1 . 1 5 5 ALA N N 15 125.86 0.1 . 1 . . . . . 5 ALA N . 21098 1 61 . 1 . 1 6 6 PRO HA H 1 4.40 0.02 . 1 . . . . . 6 PRO HA . 21098 1 62 . 1 . 1 6 6 PRO HB2 H 1 2.27 0.02 . 2 . . . . . 6 PRO HB2 . 21098 1 63 . 1 . 1 6 6 PRO HB3 H 1 1.87 0.02 . 2 . . . . . 6 PRO HB3 . 21098 1 64 . 1 . 1 6 6 PRO HD2 H 1 3.76 0.02 . 2 . . . . . 6 PRO HD2 . 21098 1 65 . 1 . 1 6 6 PRO HD3 H 1 3.63 0.02 . 2 . . . . . 6 PRO HD3 . 21098 1 66 . 1 . 1 6 6 PRO HG2 H 1 2.01 0.02 . 2 . . . . . 6 PRO HG2 . 21098 1 67 . 1 . 1 6 6 PRO HG3 H 1 2.01 0.02 . 2 . . . . . 6 PRO HG3 . 21098 1 68 . 1 . 1 6 6 PRO CA C 13 63.22 0.1 . 1 . . . . . 6 PRO CA . 21098 1 69 . 1 . 1 6 6 PRO CB C 13 32.05 0.1 . 1 . . . . . 6 PRO CB . 21098 1 70 . 1 . 1 6 6 PRO CD C 13 50.50 0.1 . 1 . . . . . 6 PRO CD . 21098 1 71 . 1 . 1 6 6 PRO CG C 13 27.38 0.1 . 1 . . . . . 6 PRO CG . 21098 1 72 . 1 . 1 7 7 ASN H H 1 8.45 0.02 . 1 . . . . . 7 ASN H . 21098 1 73 . 1 . 1 7 7 ASN HA H 1 4.63 0.02 . 1 . . . . . 7 ASN HA . 21098 1 74 . 1 . 1 7 7 ASN HB2 H 1 2.78 0.02 . 2 . . . . . 7 ASN HB2 . 21098 1 75 . 1 . 1 7 7 ASN HB3 H 1 2.82 0.02 . 2 . . . . . 7 ASN HB3 . 21098 1 76 . 1 . 1 7 7 ASN HD21 H 1 6.91 0.02 . 2 . . . . . 7 ASN HD21 . 21098 1 77 . 1 . 1 7 7 ASN HD22 H 1 7.58 0.02 . 2 . . . . . 7 ASN HD22 . 21098 1 78 . 1 . 1 7 7 ASN CA C 13 53.34 0.1 . 1 . . . . . 7 ASN CA . 21098 1 79 . 1 . 1 7 7 ASN CB C 13 38.82 0.1 . 1 . . . . . 7 ASN CB . 21098 1 80 . 1 . 1 7 7 ASN N N 15 118.23 0.1 . 1 . . . . . 7 ASN N . 21098 1 81 . 1 . 1 7 7 ASN ND2 N 15 112.74 0.1 . 1 . . . . . 7 ASN ND2 . 21098 1 82 . 1 . 1 8 8 ARG H H 1 8.18 0.02 . 1 . . . . . 8 ARG H . 21098 1 83 . 1 . 1 8 8 ARG HA H 1 4.34 0.02 . 1 . . . . . 8 ARG HA . 21098 1 84 . 1 . 1 8 8 ARG HB2 H 1 1.74 0.02 . 2 . . . . . 8 ARG HB2 . 21098 1 85 . 1 . 1 8 8 ARG HB3 H 1 1.84 0.02 . 2 . . . . . 8 ARG HB3 . 21098 1 86 . 1 . 1 8 8 ARG HD2 H 1 3.17 0.02 . 2 . . . . . 8 ARG HD2 . 21098 1 87 . 1 . 1 8 8 ARG HD3 H 1 3.17 0.02 . 2 . . . . . 8 ARG HD3 . 21098 1 88 . 1 . 1 8 8 ARG HE H 1 7.17 0.02 . 1 . . . . . 8 ARG HE . 21098 1 89 . 1 . 1 8 8 ARG HG2 H 1 1.59 0.02 . 2 . . . . . 8 ARG HG2 . 21098 1 90 . 1 . 1 8 8 ARG HG3 H 1 1.59 0.02 . 2 . . . . . 8 ARG HG3 . 21098 1 91 . 1 . 1 8 8 ARG CA C 13 56.00 0.1 . 1 . . . . . 8 ARG CA . 21098 1 92 . 1 . 1 8 8 ARG CB C 13 30.89 0.1 . 1 . . . . . 8 ARG CB . 21098 1 93 . 1 . 1 8 8 ARG CD C 13 43.36 0.1 . 1 . . . . . 8 ARG CD . 21098 1 94 . 1 . 1 8 8 ARG CG C 13 26.92 0.1 . 1 . . . . . 8 ARG CG . 21098 1 95 . 1 . 1 8 8 ARG N N 15 120.86 0.1 . 1 . . . . . 8 ARG N . 21098 1 96 . 1 . 1 8 8 ARG NE N 15 84.93 0.1 . 1 . . . . . 8 ARG NE . 21098 1 97 . 1 . 1 9 9 CYS H H 1 8.42 0.02 . 1 . . . . . 9 CYS H . 21098 1 98 . 1 . 1 9 9 CYS HA H 1 5.12 0.02 . 1 . . . . . 9 CYS HA . 21098 1 99 . 1 . 1 9 9 CYS HB2 H 1 2.85 0.02 . 2 . . . . . 9 CYS HB2 . 21098 1 100 . 1 . 1 9 9 CYS HB3 H 1 2.60 0.02 . 2 . . . . . 9 CYS HB3 . 21098 1 101 . 1 . 1 9 9 CYS CA C 13 51.84 0.1 . 1 . . . . . 9 CYS CA . 21098 1 102 . 1 . 1 9 9 CYS CB C 13 38.12 0.1 . 1 . . . . . 9 CYS CB . 21098 1 103 . 1 . 1 9 9 CYS N N 15 119.36 0.1 . 1 . . . . . 9 CYS N . 21098 1 104 . 1 . 1 10 10 PRO HA H 1 4.67 0.02 . 1 . . . . . 10 PRO HA . 21098 1 105 . 1 . 1 10 10 PRO HB2 H 1 2.34 0.02 . 2 . . . . . 10 PRO HB2 . 21098 1 106 . 1 . 1 10 10 PRO HB3 H 1 1.35 0.02 . 2 . . . . . 10 PRO HB3 . 21098 1 107 . 1 . 1 10 10 PRO HD2 H 1 2.79 0.02 . 2 . . . . . 10 PRO HD2 . 21098 1 108 . 1 . 1 10 10 PRO HD3 H 1 3.78 0.02 . 2 . . . . . 10 PRO HD3 . 21098 1 109 . 1 . 1 10 10 PRO HG2 H 1 1.75 0.02 . 2 . . . . . 10 PRO HG2 . 21098 1 110 . 1 . 1 10 10 PRO HG3 H 1 1.29 0.02 . 2 . . . . . 10 PRO HG3 . 21098 1 111 . 1 . 1 10 10 PRO CA C 13 61.90 0.1 . 1 . . . . . 10 PRO CA . 21098 1 112 . 1 . 1 10 10 PRO CB C 13 30.11 0.1 . 1 . . . . . 10 PRO CB . 21098 1 113 . 1 . 1 10 10 PRO CD C 13 50.52 0.1 . 1 . . . . . 10 PRO CD . 21098 1 114 . 1 . 1 10 10 PRO CG C 13 27.10 0.1 . 1 . . . . . 10 PRO CG . 21098 1 115 . 1 . 1 11 11 PRO HA H 1 4.44 0.02 . 1 . . . . . 11 PRO HA . 21098 1 116 . 1 . 1 11 11 PRO HB2 H 1 2.38 0.02 . 2 . . . . . 11 PRO HB2 . 21098 1 117 . 1 . 1 11 11 PRO HB3 H 1 1.89 0.02 . 2 . . . . . 11 PRO HB3 . 21098 1 118 . 1 . 1 11 11 PRO HD2 H 1 3.83 0.02 . 2 . . . . . 11 PRO HD2 . 21098 1 119 . 1 . 1 11 11 PRO HD3 H 1 3.55 0.02 . 2 . . . . . 11 PRO HD3 . 21098 1 120 . 1 . 1 11 11 PRO HG2 H 1 2.04 0.02 . 2 . . . . . 11 PRO HG2 . 21098 1 121 . 1 . 1 11 11 PRO HG3 H 1 2.14 0.02 . 2 . . . . . 11 PRO HG3 . 21098 1 122 . 1 . 1 11 11 PRO CA C 13 63.88 0.1 . 1 . . . . . 11 PRO CA . 21098 1 123 . 1 . 1 11 11 PRO CB C 13 31.80 0.1 . 1 . . . . . 11 PRO CB . 21098 1 124 . 1 . 1 11 11 PRO CD C 13 50.41 0.1 . 1 . . . . . 11 PRO CD . 21098 1 125 . 1 . 1 11 11 PRO CG C 13 27.88 0.1 . 1 . . . . . 11 PRO CG . 21098 1 126 . 1 . 1 12 12 GLY H H 1 9.17 0.02 . 1 . . . . . 12 GLY H . 21098 1 127 . 1 . 1 12 12 GLY HA2 H 1 4.24 0.02 . 2 . . . . . 12 GLY HA2 . 21098 1 128 . 1 . 1 12 12 GLY HA3 H 1 3.80 0.02 . 2 . . . . . 12 GLY HA3 . 21098 1 129 . 1 . 1 12 12 GLY CA C 13 45.76 0.1 . 1 . . . . . 12 GLY CA . 21098 1 130 . 1 . 1 13 13 HIS H H 1 8.00 0.02 . 1 . . . . . 13 HIS H . 21098 1 131 . 1 . 1 13 13 HIS HA H 1 5.18 0.02 . 1 . . . . . 13 HIS HA . 21098 1 132 . 1 . 1 13 13 HIS HB2 H 1 3.29 0.02 . 2 . . . . . 13 HIS HB2 . 21098 1 133 . 1 . 1 13 13 HIS HB3 H 1 2.84 0.02 . 2 . . . . . 13 HIS HB3 . 21098 1 134 . 1 . 1 13 13 HIS HD2 H 1 6.57 0.02 . 1 . . . . . 13 HIS HD2 . 21098 1 135 . 1 . 1 13 13 HIS HE1 H 1 8.44 0.02 . 1 . . . . . 13 HIS HE1 . 21098 1 136 . 1 . 1 13 13 HIS CA C 13 55.11 0.1 . 1 . . . . . 13 HIS CA . 21098 1 137 . 1 . 1 13 13 HIS CB C 13 32.22 0.1 . 1 . . . . . 13 HIS CB . 21098 1 138 . 1 . 1 13 13 HIS N N 15 117.77 0.1 . 1 . . . . . 13 HIS N . 21098 1 139 . 1 . 1 14 14 VAL H H 1 9.27 0.02 . 1 . . . . . 14 VAL H . 21098 1 140 . 1 . 1 14 14 VAL HA H 1 4.60 0.02 . 1 . . . . . 14 VAL HA . 21098 1 141 . 1 . 1 14 14 VAL HB H 1 2.12 0.02 . 1 . . . . . 14 VAL HB . 21098 1 142 . 1 . 1 14 14 VAL HG11 H 1 0.88 0.02 . 1 . . . . . 14 VAL MG1 . 21098 1 143 . 1 . 1 14 14 VAL HG12 H 1 0.88 0.02 . 1 . . . . . 14 VAL MG1 . 21098 1 144 . 1 . 1 14 14 VAL HG13 H 1 0.88 0.02 . 1 . . . . . 14 VAL MG1 . 21098 1 145 . 1 . 1 14 14 VAL HG21 H 1 0.78 0.02 . 1 . . . . . 14 VAL MG2 . 21098 1 146 . 1 . 1 14 14 VAL HG22 H 1 0.78 0.02 . 1 . . . . . 14 VAL MG2 . 21098 1 147 . 1 . 1 14 14 VAL HG23 H 1 0.78 0.02 . 1 . . . . . 14 VAL MG2 . 21098 1 148 . 1 . 1 14 14 VAL CA C 13 59.73 0.1 . 1 . . . . . 14 VAL CA . 21098 1 149 . 1 . 1 14 14 VAL CB C 13 35.40 0.1 . 1 . . . . . 14 VAL CB . 21098 1 150 . 1 . 1 14 14 VAL CG1 C 13 21.64 0.1 . 1 . . . . . 14 VAL CG1 . 21098 1 151 . 1 . 1 14 14 VAL CG2 C 13 18.80 0.1 . 1 . . . . . 14 VAL CG2 . 21098 1 152 . 1 . 1 14 14 VAL N N 15 116.59 0.1 . 1 . . . . . 14 VAL N . 21098 1 153 . 1 . 1 15 15 VAL H H 1 8.45 0.02 . 1 . . . . . 15 VAL H . 21098 1 154 . 1 . 1 15 15 VAL HA H 1 4.28 0.02 . 1 . . . . . 15 VAL HA . 21098 1 155 . 1 . 1 15 15 VAL HB H 1 1.95 0.02 . 1 . . . . . 15 VAL HB . 21098 1 156 . 1 . 1 15 15 VAL HG11 H 1 0.77 0.02 . 1 . . . . . 15 VAL MG1 . 21098 1 157 . 1 . 1 15 15 VAL HG12 H 1 0.77 0.02 . 1 . . . . . 15 VAL MG1 . 21098 1 158 . 1 . 1 15 15 VAL HG13 H 1 0.77 0.02 . 1 . . . . . 15 VAL MG1 . 21098 1 159 . 1 . 1 15 15 VAL HG21 H 1 0.91 0.02 . 1 . . . . . 15 VAL MG2 . 21098 1 160 . 1 . 1 15 15 VAL HG22 H 1 0.91 0.02 . 1 . . . . . 15 VAL MG2 . 21098 1 161 . 1 . 1 15 15 VAL HG23 H 1 0.91 0.02 . 1 . . . . . 15 VAL MG2 . 21098 1 162 . 1 . 1 15 15 VAL CA C 13 62.90 0.1 . 1 . . . . . 15 VAL CA . 21098 1 163 . 1 . 1 15 15 VAL CB C 13 31.69 0.1 . 1 . . . . . 15 VAL CB . 21098 1 164 . 1 . 1 15 15 VAL CG1 C 13 22.57 0.1 . 1 . . . . . 15 VAL CG1 . 21098 1 165 . 1 . 1 15 15 VAL CG2 C 13 21.35 0.1 . 1 . . . . . 15 VAL CG2 . 21098 1 166 . 1 . 1 15 15 VAL N N 15 122.61 0.1 . 1 . . . . . 15 VAL N . 21098 1 167 . 1 . 1 16 16 VAL H H 1 9.03 0.02 . 1 . . . . . 16 VAL H . 21098 1 168 . 1 . 1 16 16 VAL HA H 1 4.19 0.02 . 1 . . . . . 16 VAL HA . 21098 1 169 . 1 . 1 16 16 VAL HB H 1 1.85 0.02 . 1 . . . . . 16 VAL HB . 21098 1 170 . 1 . 1 16 16 VAL HG11 H 1 0.90 0.02 . 1 . . . . . 16 VAL MG1 . 21098 1 171 . 1 . 1 16 16 VAL HG12 H 1 0.90 0.02 . 1 . . . . . 16 VAL MG1 . 21098 1 172 . 1 . 1 16 16 VAL HG13 H 1 0.90 0.02 . 1 . . . . . 16 VAL MG1 . 21098 1 173 . 1 . 1 16 16 VAL HG21 H 1 0.92 0.02 . 1 . . . . . 16 VAL MG2 . 21098 1 174 . 1 . 1 16 16 VAL HG22 H 1 0.92 0.02 . 1 . . . . . 16 VAL MG2 . 21098 1 175 . 1 . 1 16 16 VAL HG23 H 1 0.92 0.02 . 1 . . . . . 16 VAL MG2 . 21098 1 176 . 1 . 1 16 16 VAL CA C 13 61.94 0.1 . 1 . . . . . 16 VAL CA . 21098 1 177 . 1 . 1 16 16 VAL CB C 13 34.63 0.1 . 1 . . . . . 16 VAL CB . 21098 1 178 . 1 . 1 16 16 VAL CG1 C 13 20.93 0.1 . 1 . . . . . 16 VAL CG1 . 21098 1 179 . 1 . 1 16 16 VAL CG2 C 13 21.01 0.1 . 1 . . . . . 16 VAL CG2 . 21098 1 180 . 1 . 1 16 16 VAL N N 15 129.21 0.1 . 1 . . . . . 16 VAL N . 21098 1 181 . 1 . 1 17 17 LYS H H 1 9.57 0.02 . 1 . . . . . 17 LYS H . 21098 1 182 . 1 . 1 17 17 LYS HA H 1 3.85 0.02 . 1 . . . . . 17 LYS HA . 21098 1 183 . 1 . 1 17 17 LYS HB2 H 1 1.79 0.02 . 2 . . . . . 17 LYS HB2 . 21098 1 184 . 1 . 1 17 17 LYS HB3 H 1 2.01 0.02 . 2 . . . . . 17 LYS HB3 . 21098 1 185 . 1 . 1 17 17 LYS HD2 H 1 1.68 0.02 . 2 . . . . . 17 LYS HD2 . 21098 1 186 . 1 . 1 17 17 LYS HD3 H 1 1.67 0.02 . 2 . . . . . 17 LYS HD3 . 21098 1 187 . 1 . 1 17 17 LYS HE2 H 1 3.00 0.02 . 2 . . . . . 17 LYS HE2 . 21098 1 188 . 1 . 1 17 17 LYS HE3 H 1 3.01 0.02 . 2 . . . . . 17 LYS HE3 . 21098 1 189 . 1 . 1 17 17 LYS HG2 H 1 1.45 0.02 . 2 . . . . . 17 LYS HG2 . 21098 1 190 . 1 . 1 17 17 LYS HG3 H 1 1.45 0.02 . 2 . . . . . 17 LYS HG3 . 21098 1 191 . 1 . 1 17 17 LYS CA C 13 57.25 0.1 . 1 . . . . . 17 LYS CA . 21098 1 192 . 1 . 1 17 17 LYS CB C 13 30.42 0.1 . 1 . . . . . 17 LYS CB . 21098 1 193 . 1 . 1 17 17 LYS CD C 13 26.70 0.1 . 1 . . . . . 17 LYS CD . 21098 1 194 . 1 . 1 17 17 LYS CE C 13 42.27 0.1 . 1 . . . . . 17 LYS CE . 21098 1 195 . 1 . 1 17 17 LYS CG C 13 25.45 0.1 . 1 . . . . . 17 LYS CG . 21098 1 196 . 1 . 1 17 17 LYS N N 15 128.44 0.1 . 1 . . . . . 17 LYS N . 21098 1 197 . 1 . 1 18 18 GLY H H 1 8.15 0.02 . 1 . . . . . 18 GLY H . 21098 1 198 . 1 . 1 18 18 GLY HA2 H 1 4.12 0.02 . 2 . . . . . 18 GLY HA2 . 21098 1 199 . 1 . 1 18 18 GLY HA3 H 1 3.54 0.02 . 2 . . . . . 18 GLY HA3 . 21098 1 200 . 1 . 1 18 18 GLY CA C 13 45.70 0.1 . 1 . . . . . 18 GLY CA . 21098 1 201 . 1 . 1 18 18 GLY N N 15 102.85 0.1 . 1 . . . . . 18 GLY N . 21098 1 202 . 1 . 1 19 19 ARG H H 1 7.77 0.02 . 1 . . . . . 19 ARG H . 21098 1 203 . 1 . 1 19 19 ARG HA H 1 4.77 0.02 . 1 . . . . . 19 ARG HA . 21098 1 204 . 1 . 1 19 19 ARG HB2 H 1 1.75 0.02 . 2 . . . . . 19 ARG HB2 . 21098 1 205 . 1 . 1 19 19 ARG HB3 H 1 1.86 0.02 . 2 . . . . . 19 ARG HB3 . 21098 1 206 . 1 . 1 19 19 ARG HD2 H 1 3.22 0.02 . 2 . . . . . 19 ARG HD2 . 21098 1 207 . 1 . 1 19 19 ARG HD3 H 1 3.22 0.02 . 2 . . . . . 19 ARG HD3 . 21098 1 208 . 1 . 1 19 19 ARG HE H 1 7.18 0.02 . 1 . . . . . 19 ARG HE . 21098 1 209 . 1 . 1 19 19 ARG HG2 H 1 1.65 0.02 . 2 . . . . . 19 ARG HG2 . 21098 1 210 . 1 . 1 19 19 ARG HG3 H 1 1.65 0.02 . 2 . . . . . 19 ARG HG3 . 21098 1 211 . 1 . 1 19 19 ARG CB C 13 33.25 0.1 . 1 . . . . . 19 ARG CB . 21098 1 212 . 1 . 1 19 19 ARG CD C 13 43.37 0.1 . 1 . . . . . 19 ARG CD . 21098 1 213 . 1 . 1 19 19 ARG CG C 13 26.86 0.1 . 1 . . . . . 19 ARG CG . 21098 1 214 . 1 . 1 19 19 ARG N N 15 119.37 0.1 . 1 . . . . . 19 ARG N . 21098 1 215 . 1 . 1 20 20 CYS H H 1 8.92 0.02 . 1 . . . . . 20 CYS H . 21098 1 216 . 1 . 1 20 20 CYS HA H 1 4.96 0.02 . 1 . . . . . 20 CYS HA . 21098 1 217 . 1 . 1 20 20 CYS HB2 H 1 2.71 0.02 . 2 . . . . . 20 CYS HB2 . 21098 1 218 . 1 . 1 20 20 CYS HB3 H 1 3.02 0.02 . 2 . . . . . 20 CYS HB3 . 21098 1 219 . 1 . 1 20 20 CYS CA C 13 55.88 0.1 . 1 . . . . . 20 CYS CA . 21098 1 220 . 1 . 1 20 20 CYS CB C 13 40.06 0.1 . 1 . . . . . 20 CYS CB . 21098 1 221 . 1 . 1 20 20 CYS N N 15 120.81 0.1 . 1 . . . . . 20 CYS N . 21098 1 222 . 1 . 1 21 21 ARG H H 1 9.63 0.02 . 1 . . . . . 21 ARG H . 21098 1 223 . 1 . 1 21 21 ARG HA H 1 4.80 0.02 . 1 . . . . . 21 ARG HA . 21098 1 224 . 1 . 1 21 21 ARG HB2 H 1 1.90 0.02 . 2 . . . . . 21 ARG HB2 . 21098 1 225 . 1 . 1 21 21 ARG HB3 H 1 1.69 0.02 . 2 . . . . . 21 ARG HB3 . 21098 1 226 . 1 . 1 21 21 ARG HD2 H 1 3.17 0.02 . 2 . . . . . 21 ARG HD2 . 21098 1 227 . 1 . 1 21 21 ARG HD3 H 1 3.17 0.02 . 2 . . . . . 21 ARG HD3 . 21098 1 228 . 1 . 1 21 21 ARG HE H 1 7.17 0.02 . 1 . . . . . 21 ARG HE . 21098 1 229 . 1 . 1 21 21 ARG HG2 H 1 1.69 0.02 . 2 . . . . . 21 ARG HG2 . 21098 1 230 . 1 . 1 21 21 ARG HG3 H 1 1.69 0.02 . 2 . . . . . 21 ARG HG3 . 21098 1 231 . 1 . 1 21 21 ARG CB C 13 33.82 0.1 . 1 . . . . . 21 ARG CB . 21098 1 232 . 1 . 1 21 21 ARG CD C 13 43.36 0.1 . 1 . . . . . 21 ARG CD . 21098 1 233 . 1 . 1 21 21 ARG CG C 13 29.30 0.1 . 1 . . . . . 21 ARG CG . 21098 1 234 . 1 . 1 21 21 ARG N N 15 125.65 0.1 . 1 . . . . . 21 ARG N . 21098 1 235 . 1 . 1 21 21 ARG NE N 15 84.93 0.1 . 1 . . . . . 21 ARG NE . 21098 1 236 . 1 . 1 22 22 ILE H H 1 8.44 0.02 . 1 . . . . . 22 ILE H . 21098 1 237 . 1 . 1 22 22 ILE HA H 1 3.52 0.02 . 1 . . . . . 22 ILE HA . 21098 1 238 . 1 . 1 22 22 ILE HB H 1 1.54 0.02 . 1 . . . . . 22 ILE HB . 21098 1 239 . 1 . 1 22 22 ILE HD11 H 1 0.71 0.02 . 1 . . . . . 22 ILE MD . 21098 1 240 . 1 . 1 22 22 ILE HD12 H 1 0.71 0.02 . 1 . . . . . 22 ILE MD . 21098 1 241 . 1 . 1 22 22 ILE HD13 H 1 0.71 0.02 . 1 . . . . . 22 ILE MD . 21098 1 242 . 1 . 1 22 22 ILE HG12 H 1 0.78 0.02 . 2 . . . . . 22 ILE HG12 . 21098 1 243 . 1 . 1 22 22 ILE HG13 H 1 0.87 0.02 . 2 . . . . . 22 ILE HG13 . 21098 1 244 . 1 . 1 22 22 ILE HG21 H 1 1.21 0.02 . 1 . . . . . 22 ILE MG . 21098 1 245 . 1 . 1 22 22 ILE HG22 H 1 1.21 0.02 . 1 . . . . . 22 ILE MG . 21098 1 246 . 1 . 1 22 22 ILE HG23 H 1 1.21 0.02 . 1 . . . . . 22 ILE MG . 21098 1 247 . 1 . 1 22 22 ILE CA C 13 62.09 0.1 . 1 . . . . . 22 ILE CA . 21098 1 248 . 1 . 1 22 22 ILE CB C 13 38.38 0.1 . 1 . . . . . 22 ILE CB . 21098 1 249 . 1 . 1 22 22 ILE CD1 C 13 13.06 0.1 . 1 . . . . . 22 ILE CD1 . 21098 1 250 . 1 . 1 22 22 ILE CG1 C 13 28.20 0.1 . 1 . . . . . 22 ILE CG1 . 21098 1 251 . 1 . 1 22 22 ILE CG2 C 13 17.16 0.1 . 1 . . . . . 22 ILE CG2 . 21098 1 252 . 1 . 1 22 22 ILE N N 15 123.33 0.1 . 1 . . . . . 22 ILE N . 21098 1 253 . 1 . 1 23 23 ALA H H 1 8.17 0.02 . 1 . . . . . 23 ALA H . 21098 1 254 . 1 . 1 23 23 ALA HA H 1 4.15 0.02 . 1 . . . . . 23 ALA HA . 21098 1 255 . 1 . 1 23 23 ALA HB1 H 1 1.27 0.02 . 1 . . . . . 23 ALA MB . 21098 1 256 . 1 . 1 23 23 ALA HB2 H 1 1.27 0.02 . 1 . . . . . 23 ALA MB . 21098 1 257 . 1 . 1 23 23 ALA HB3 H 1 1.27 0.02 . 1 . . . . . 23 ALA MB . 21098 1 258 . 1 . 1 23 23 ALA CA C 13 52.49 0.1 . 1 . . . . . 23 ALA CA . 21098 1 259 . 1 . 1 23 23 ALA CB C 13 19.61 0.1 . 1 . . . . . 23 ALA CB . 21098 1 260 . 1 . 1 23 23 ALA N N 15 129.53 0.1 . 1 . . . . . 23 ALA N . 21098 1 stop_ save_