################################### # 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 21101 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21101 1 3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 21101 1 4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 21101 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 . . 21101 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 GLY HA2 H 1 3.85 . . 2 . . . . . 1 Gly HA2 . 21101 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.77 . . 2 . . . . . 1 Gly HA3 . 21101 1 3 . 1 . 1 1 1 GLY CA C 13 45.13 . . 1 . . . . . 1 Gly CA . 21101 1 4 . 1 . 1 2 2 ILE HA H 1 4.14 . . 1 . . . . . 2 Ile HA . 21101 1 5 . 1 . 1 2 2 ILE HB H 1 1.99 . . 1 . . . . . 2 Ile HB . 21101 1 6 . 1 . 1 2 2 ILE HD11 H 1 1.02 . . 1 . . . . . 2 Ile HD . 21101 1 7 . 1 . 1 2 2 ILE HD12 H 1 1.02 . . 1 . . . . . 2 Ile HD . 21101 1 8 . 1 . 1 2 2 ILE HD13 H 1 1.02 . . 1 . . . . . 2 Ile HD . 21101 1 9 . 1 . 1 2 2 ILE HG12 H 1 1.41 . . 2 . . . . . 2 Ile HG12 . 21101 1 10 . 1 . 1 2 2 ILE HG13 H 1 1.63 . . 2 . . . . . 2 Ile HG13 . 21101 1 11 . 1 . 1 2 2 ILE HG21 H 1 1.08 . . 1 . . . . . 2 Ile HG2 . 21101 1 12 . 1 . 1 2 2 ILE HG22 H 1 1.08 . . 1 . . . . . 2 Ile HG2 . 21101 1 13 . 1 . 1 2 2 ILE HG23 H 1 1.08 . . 1 . . . . . 2 Ile HG2 . 21101 1 14 . 1 . 1 2 2 ILE CA C 13 63.31 . . 1 . . . . . 2 Ile CA . 21101 1 15 . 1 . 1 2 2 ILE CB C 13 38.83 . . 1 . . . . . 2 Ile CB . 21101 1 16 . 1 . 1 2 2 ILE CD1 C 13 12.72 . . 1 . . . . . 2 Ile CD . 21101 1 17 . 1 . 1 2 2 ILE CG1 C 13 28.35 . . 1 . . . . . 2 Ile CG1 . 21101 1 18 . 1 . 1 2 2 ILE CG2 C 13 17.11 . . 1 . . . . . 2 Ile CG2 . 21101 1 19 . 1 . 1 3 3 VAL H H 1 7.87 . . 1 . . . . . 3 Val H . 21101 1 20 . 1 . 1 3 3 VAL HA H 1 3.86 . . 1 . . . . . 3 Val HA . 21101 1 21 . 1 . 1 3 3 VAL HB H 1 2.23 . . 1 . . . . . 3 Val HB . 21101 1 22 . 1 . 1 3 3 VAL HG11 H 1 1.07 . . 2 . . . . . 3 Val HG1 . 21101 1 23 . 1 . 1 3 3 VAL HG12 H 1 1.07 . . 2 . . . . . 3 Val HG1 . 21101 1 24 . 1 . 1 3 3 VAL HG13 H 1 1.07 . . 2 . . . . . 3 Val HG1 . 21101 1 25 . 1 . 1 3 3 VAL HG21 H 1 1.15 . . 2 . . . . . 3 Val HG2 . 21101 1 26 . 1 . 1 3 3 VAL HG22 H 1 1.15 . . 2 . . . . . 3 Val HG2 . 21101 1 27 . 1 . 1 3 3 VAL HG23 H 1 1.15 . . 2 . . . . . 3 Val HG2 . 21101 1 28 . 1 . 1 3 3 VAL CA C 13 66.52 . . 1 . . . . . 3 Val CA . 21101 1 29 . 1 . 1 3 3 VAL CB C 13 31.56 . . 1 . . . . . 3 Val CB . 21101 1 30 . 1 . 1 3 3 VAL CG1 C 13 20.55 . . 2 . . . . . 3 Val CG1 . 21101 1 31 . 1 . 1 3 3 VAL CG2 C 13 21.87 . . 2 . . . . . 3 Val CG2 . 21101 1 32 . 1 . 1 3 3 VAL N N 15 119.86 . . 1 . . . . . 3 Val N . 21101 1 33 . 1 . 1 4 4 THR H H 1 7.7 . . 1 . . . . . 4 Thr H . 21101 1 34 . 1 . 1 4 4 THR HA H 1 4.03 . . 1 . . . . . 4 Thr HA . 21101 1 35 . 1 . 1 4 4 THR HB H 1 4.35 . . 1 . . . . . 4 Thr HB . 21101 1 36 . 1 . 1 4 4 THR HG21 H 1 1.4 . . 1 . . . . . 4 Thr HG2 . 21101 1 37 . 1 . 1 4 4 THR HG22 H 1 1.4 . . 1 . . . . . 4 Thr HG2 . 21101 1 38 . 1 . 1 4 4 THR HG23 H 1 1.4 . . 1 . . . . . 4 Thr HG2 . 21101 1 39 . 1 . 1 4 4 THR CA C 13 65.92 . . 1 . . . . . 4 Thr CA . 21101 1 40 . 1 . 1 4 4 THR CB C 13 68.74 . . 1 . . . . . 4 Thr CB . 21101 1 41 . 1 . 1 4 4 THR CG2 C 13 22.03 . . 1 . . . . . 4 Thr CG2 . 21101 1 42 . 1 . 1 4 4 THR N N 15 111.83 . . 1 . . . . . 4 Thr N . 21101 1 43 . 1 . 1 5 5 LYS H H 1 7.76 . . 1 . . . . . 5 Lys H . 21101 1 44 . 1 . 1 5 5 LYS HA H 1 4.16 . . 1 . . . . . 5 Lys HA . 21101 1 45 . 1 . 1 5 5 LYS HB2 H 1 2.01 . . 2 . . . . . 5 Lys HB2 . 21101 1 46 . 1 . 1 5 5 LYS HB3 H 1 2.12 . . 2 . . . . . 5 Lys HB3 . 21101 1 47 . 1 . 1 5 5 LYS HD2 H 1 1.79 . . 2 . . . . . 5 Lys HD2 . 21101 1 48 . 1 . 1 5 5 LYS HD3 H 1 1.80 . . 2 . . . . . 5 Lys HD3 . 21101 1 49 . 1 . 1 5 5 LYS HE2 H 1 3.08 . . 2 . . . . . 5 Lys HE2 . 21101 1 50 . 1 . 1 5 5 LYS HE3 H 1 3.08 . . 2 . . . . . 5 Lys HE3 . 21101 1 51 . 1 . 1 5 5 LYS HG2 H 1 1.72 . . 2 . . . . . 5 Lys HG2 . 21101 1 52 . 1 . 1 5 5 LYS HG3 H 1 1.57 . . 2 . . . . . 5 Lys HG3 . 21101 1 53 . 1 . 1 5 5 LYS CA C 13 59.67 . . 1 . . . . . 5 Lys CA . 21101 1 54 . 1 . 1 5 5 LYS CB C 13 32.4 . . 1 . . . . . 5 Lys CB . 21101 1 55 . 1 . 1 5 5 LYS CD C 13 29.48 . . 1 . . . . . 5 Lys CD . 21101 1 56 . 1 . 1 5 5 LYS CE C 13 42.32 . . 1 . . . . . 5 Lys CE . 21101 1 57 . 1 . 1 5 5 LYS CG C 13 25.53 . . 1 . . . . . 5 Lys CG . 21101 1 58 . 1 . 1 5 5 LYS N N 15 120.36 . . 1 . . . . . 5 Lys N . 21101 1 59 . 1 . 1 6 6 LEU H H 1 8.14 . . 1 . . . . . 6 Leu H . 21101 1 60 . 1 . 1 6 6 LEU HA H 1 4.27 . . 1 . . . . . 6 Leu HA . 21101 1 61 . 1 . 1 6 6 LEU HB2 H 1 1.86 . . 2 . . . . . 6 Leu HB2 . 21101 1 62 . 1 . 1 6 6 LEU HB3 H 1 1.80 . . 2 . . . . . 6 Leu HB3 . 21101 1 63 . 1 . 1 6 6 LEU HD11 H 1 1.02 . . 2 . . . . . 6 Leu HD1 . 21101 1 64 . 1 . 1 6 6 LEU HD12 H 1 1.02 . . 2 . . . . . 6 Leu HD1 . 21101 1 65 . 1 . 1 6 6 LEU HD13 H 1 1.02 . . 2 . . . . . 6 Leu HD1 . 21101 1 66 . 1 . 1 6 6 LEU HD21 H 1 0.99 . . 2 . . . . . 6 Leu HD2 . 21101 1 67 . 1 . 1 6 6 LEU HD22 H 1 0.99 . . 2 . . . . . 6 Leu HD2 . 21101 1 68 . 1 . 1 6 6 LEU HD23 H 1 0.99 . . 2 . . . . . 6 Leu HD2 . 21101 1 69 . 1 . 1 6 6 LEU HG H 1 1.86 . . 1 . . . . . 6 Leu HG . 21101 1 70 . 1 . 1 6 6 LEU CA C 13 57.55 . . 1 . . . . . 6 Leu CA . 21101 1 71 . 1 . 1 6 6 LEU CB C 13 42.09 . . 1 . . . . . 6 Leu CB . 21101 1 72 . 1 . 1 6 6 LEU CD1 C 13 24.01 . . 2 . . . . . 6 Leu CD1 . 21101 1 73 . 1 . 1 6 6 LEU CD2 C 13 23.54 . . 2 . . . . . 6 Leu CD2 . 21101 1 74 . 1 . 1 6 6 LEU CG C 13 27 . . 1 . . . . . 6 Leu CG . 21101 1 75 . 1 . 1 6 6 LEU N N 15 119.42 . . 1 . . . . . 6 Leu N . 21101 1 76 . 1 . 1 7 7 ILE H H 1 8.32 . . 1 . . . . . 7 Ile H . 21101 1 77 . 1 . 1 7 7 ILE HA H 1 3.89 . . 1 . . . . . 7 Ile HA . 21101 1 78 . 1 . 1 7 7 ILE HB H 1 2.02 . . 1 . . . . . 7 Ile HB . 21101 1 79 . 1 . 1 7 7 ILE HD11 H 1 0.92 . . 1 . . . . . 7 Ile HD . 21101 1 80 . 1 . 1 7 7 ILE HD12 H 1 0.92 . . 1 . . . . . 7 Ile HD . 21101 1 81 . 1 . 1 7 7 ILE HD13 H 1 0.92 . . 1 . . . . . 7 Ile HD . 21101 1 82 . 1 . 1 7 7 ILE HG12 H 1 1.24 . . 2 . . . . . 7 Ile HG12 . 21101 1 83 . 1 . 1 7 7 ILE HG13 H 1 1.89 . . 2 . . . . . 7 Ile HG13 . 21101 1 84 . 1 . 1 7 7 ILE HG21 H 1 0.99 . . 1 . . . . . 7 Ile HG2 . 21101 1 85 . 1 . 1 7 7 ILE HG22 H 1 0.99 . . 1 . . . . . 7 Ile HG2 . 21101 1 86 . 1 . 1 7 7 ILE HG23 H 1 0.99 . . 1 . . . . . 7 Ile HG2 . 21101 1 87 . 1 . 1 7 7 ILE CA C 13 65.04 . . 1 . . . . . 7 Ile CA . 21101 1 88 . 1 . 1 7 7 ILE CB C 13 38.14 . . 1 . . . . . 7 Ile CB . 21101 1 89 . 1 . 1 7 7 ILE CD1 C 13 12.53 . . 1 . . . . . 7 Ile CD . 21101 1 90 . 1 . 1 7 7 ILE CG1 C 13 28.68 . . 1 . . . . . 7 Ile CG1 . 21101 1 91 . 1 . 1 7 7 ILE CG2 C 13 16.53 . . 1 . . . . . 7 Ile CG2 . 21101 1 92 . 1 . 1 7 7 ILE N N 15 120.16 . . 1 . . . . . 7 Ile N . 21101 1 93 . 1 . 1 8 8 LYS H H 1 8.14 . . 1 . . . . . 8 Lys H . 21101 1 94 . 1 . 1 8 8 LYS HA H 1 4.05 . . 1 . . . . . 8 Lys HA . 21101 1 95 . 1 . 1 8 8 LYS HB2 H 1 2.06 . . 2 . . . . . 8 Lys HB2 . 21101 1 96 . 1 . 1 8 8 LYS HB3 H 1 2.01 . . 2 . . . . . 8 Lys HB3 . 21101 1 97 . 1 . 1 8 8 LYS HD2 H 1 1.81 . . 2 . . . . . 8 Lys HD2 . 21101 1 98 . 1 . 1 8 8 LYS HD3 H 1 1.81 . . 2 . . . . . 8 Lys HD3 . 21101 1 99 . 1 . 1 8 8 LYS HE2 H 1 3.04 . . 2 . . . . . 8 Lys HE2 . 21101 1 100 . 1 . 1 8 8 LYS HE3 H 1 3.04 . . 2 . . . . . 8 Lys HE3 . 21101 1 101 . 1 . 1 8 8 LYS HG2 H 1 1.53 . . 2 . . . . . 8 Lys HG2 . 21101 1 102 . 1 . 1 8 8 LYS HG3 H 1 1.81 . . 2 . . . . . 8 Lys HG3 . 21101 1 103 . 1 . 1 8 8 LYS CA C 13 60.1 . . 1 . . . . . 8 Lys CA . 21101 1 104 . 1 . 1 8 8 LYS CB C 13 32.4 . . 1 . . . . . 8 Lys CB . 21101 1 105 . 1 . 1 8 8 LYS CD C 13 29.59 . . 1 . . . . . 8 Lys CD . 21101 1 106 . 1 . 1 8 8 LYS CE C 13 42.29 . . 1 . . . . . 8 Lys CE . 21101 1 107 . 1 . 1 8 8 LYS CG C 13 25.98 . . 1 . . . . . 8 Lys CG . 21101 1 108 . 1 . 1 8 8 LYS N N 15 118.75 . . 1 . . . . . 8 Lys N . 21101 1 109 . 1 . 1 9 9 LYS H H 1 8.02 . . 1 . . . . . 9 Lys H . 21101 1 110 . 1 . 1 9 9 LYS HA H 1 4.2 . . 1 . . . . . 9 Lys HA . 21101 1 111 . 1 . 1 9 9 LYS HB2 H 1 2.10 . . 2 . . . . . 9 Lys HB2 . 21101 1 112 . 1 . 1 9 9 LYS HB3 H 1 2.10 . . 2 . . . . . 9 Lys HB3 . 21101 1 113 . 1 . 1 9 9 LYS HD2 H 1 1.80 . . 2 . . . . . 9 Lys HD2 . 21101 1 114 . 1 . 1 9 9 LYS HD3 H 1 1.80 . . 2 . . . . . 9 Lys HD3 . 21101 1 115 . 1 . 1 9 9 LYS HE2 H 1 3.07 . . 2 . . . . . 9 Lys HE2 . 21101 1 116 . 1 . 1 9 9 LYS HE3 H 1 3.07 . . 2 . . . . . 9 Lys HE3 . 21101 1 117 . 1 . 1 9 9 LYS HG2 H 1 1.58 . . 2 . . . . . 9 Lys HG2 . 21101 1 118 . 1 . 1 9 9 LYS HG3 H 1 1.71 . . 2 . . . . . 9 Lys HG3 . 21101 1 119 . 1 . 1 9 9 LYS CA C 13 59.15 . . 1 . . . . . 9 Lys CA . 21101 1 120 . 1 . 1 9 9 LYS CB C 13 32.44 . . 1 . . . . . 9 Lys CB . 21101 1 121 . 1 . 1 9 9 LYS CD C 13 29.58 . . 1 . . . . . 9 Lys CD . 21101 1 122 . 1 . 1 9 9 LYS CE C 13 42.26 . . 1 . . . . . 9 Lys CE . 21101 1 123 . 1 . 1 9 9 LYS CG C 13 25.07 . . 1 . . . . . 9 Lys CG . 21101 1 124 . 1 . 1 9 9 LYS N N 15 118.57 . . 1 . . . . . 9 Lys N . 21101 1 125 . 1 . 1 10 10 GLY H H 1 8.27 . . 1 . . . . . 10 Gly H . 21101 1 126 . 1 . 1 10 10 GLY HA2 H 1 3.96 . . 2 . . . . . 10 Gly HA2 . 21101 1 127 . 1 . 1 10 10 GLY HA3 H 1 4.09 . . 2 . . . . . 10 Gly HA3 . 21101 1 128 . 1 . 1 10 10 GLY CA C 13 46.94 . . 1 . . . . . 10 Gly CA . 21101 1 129 . 1 . 1 10 10 GLY N N 15 106.77 . . 1 . . . . . 10 Gly N . 21101 1 130 . 1 . 1 11 11 VAL H H 1 8.45 . . 1 . . . . . 11 Val H . 21101 1 131 . 1 . 1 11 11 VAL HA H 1 3.88 . . 1 . . . . . 11 Val HA . 21101 1 132 . 1 . 1 11 11 VAL HB H 1 2.27 . . 1 . . . . . 11 Val HB . 21101 1 133 . 1 . 1 11 11 VAL HG11 H 1 1.03 . . 2 . . . . . 11 Val HG1 . 21101 1 134 . 1 . 1 11 11 VAL HG12 H 1 1.03 . . 2 . . . . . 11 Val HG1 . 21101 1 135 . 1 . 1 11 11 VAL HG13 H 1 1.03 . . 2 . . . . . 11 Val HG1 . 21101 1 136 . 1 . 1 11 11 VAL HG21 H 1 1.15 . . 2 . . . . . 11 Val HG2 . 21101 1 137 . 1 . 1 11 11 VAL HG22 H 1 1.15 . . 2 . . . . . 11 Val HG2 . 21101 1 138 . 1 . 1 11 11 VAL HG23 H 1 1.15 . . 2 . . . . . 11 Val HG2 . 21101 1 139 . 1 . 1 11 11 VAL CA C 13 65.94 . . 1 . . . . . 11 Val CA . 21101 1 140 . 1 . 1 11 11 VAL CB C 13 31.89 . . 1 . . . . . 11 Val CB . 21101 1 141 . 1 . 1 11 11 VAL CG1 C 13 20.70 . . 2 . . . . . 11 Val CG1 . 21101 1 142 . 1 . 1 11 11 VAL CG2 C 13 21.87 . . 2 . . . . . 11 Val CG2 . 21101 1 143 . 1 . 1 11 11 VAL N N 15 122.66 . . 1 . . . . . 11 Val N . 21101 1 144 . 1 . 1 12 12 LYS H H 1 8.07 . . 1 . . . . . 12 Lys H . 21101 1 145 . 1 . 1 12 12 LYS HA H 1 4.13 . . 1 . . . . . 12 Lys HA . 21101 1 146 . 1 . 1 12 12 LYS HB2 H 1 2.04 . . 2 . . . . . 12 Lys HB2 . 21101 1 147 . 1 . 1 12 12 LYS HB3 H 1 2.08 . . 2 . . . . . 12 Lys HB3 . 21101 1 148 . 1 . 1 12 12 LYS HD2 H 1 1.82 . . 2 . . . . . 12 Lys HD2 . 21101 1 149 . 1 . 1 12 12 LYS HD3 H 1 1.76 . . 2 . . . . . 12 Lys HD3 . 21101 1 150 . 1 . 1 12 12 LYS HE2 H 1 3.07 . . 2 . . . . . 12 Lys HE2 . 21101 1 151 . 1 . 1 12 12 LYS HE3 H 1 3.07 . . 2 . . . . . 12 Lys HE3 . 21101 1 152 . 1 . 1 12 12 LYS HG2 H 1 1.75 . . 2 . . . . . 12 Lys HG2 . 21101 1 153 . 1 . 1 12 12 LYS HG3 H 1 1.54 . . 2 . . . . . 12 Lys HG3 . 21101 1 154 . 1 . 1 12 12 LYS CA C 13 59.63 . . 1 . . . . . 12 Lys CA . 21101 1 155 . 1 . 1 12 12 LYS CB C 13 32.38 . . 1 . . . . . 12 Lys CB . 21101 1 156 . 1 . 1 12 12 LYS CD C 13 29.32 . . 1 . . . . . 12 Lys CD . 21101 1 157 . 1 . 1 12 12 LYS CE C 13 42.28 . . 1 . . . . . 12 Lys CE . 21101 1 158 . 1 . 1 12 12 LYS CG C 13 25.55 . . 1 . . . . . 12 Lys CG . 21101 1 159 . 1 . 1 12 12 LYS N N 15 119.67 . . 1 . . . . . 12 Lys N . 21101 1 160 . 1 . 1 13 13 LEU H H 1 8.07 . . 1 . . . . . 13 Leu H . 21101 1 161 . 1 . 1 13 13 LEU HA H 1 4.21 . . 1 . . . . . 13 Leu HA . 21101 1 162 . 1 . 1 13 13 LEU HB2 H 1 1.65 . . 2 . . . . . 13 Leu HB2 . 21101 1 163 . 1 . 1 13 13 LEU HB3 H 1 2.10 . . 2 . . . . . 13 Leu HB3 . 21101 1 164 . 1 . 1 13 13 LEU HD11 H 1 0.96 . . 2 . . . . . 13 Leu HD1 . 21101 1 165 . 1 . 1 13 13 LEU HD12 H 1 0.96 . . 2 . . . . . 13 Leu HD1 . 21101 1 166 . 1 . 1 13 13 LEU HD13 H 1 0.96 . . 2 . . . . . 13 Leu HD1 . 21101 1 167 . 1 . 1 13 13 LEU HD21 H 1 1.00 . . 2 . . . . . 13 Leu HD2 . 21101 1 168 . 1 . 1 13 13 LEU HD22 H 1 1.00 . . 2 . . . . . 13 Leu HD2 . 21101 1 169 . 1 . 1 13 13 LEU HD23 H 1 1.00 . . 2 . . . . . 13 Leu HD2 . 21101 1 170 . 1 . 1 13 13 LEU HG H 1 1.94 . . 1 . . . . . 13 Leu HG . 21101 1 171 . 1 . 1 13 13 LEU CA C 13 57.98 . . 1 . . . . . 13 Leu CA . 21101 1 172 . 1 . 1 13 13 LEU CB C 13 41.84 . . 1 . . . . . 13 Leu CB . 21101 1 173 . 1 . 1 13 13 LEU CD1 C 13 22.26 . . 2 . . . . . 13 Leu CD1 . 21101 1 174 . 1 . 1 13 13 LEU CD2 C 13 24.84 . . 2 . . . . . 13 Leu CD2 . 21101 1 175 . 1 . 1 13 13 LEU CG C 13 26.8 . . 1 . . . . . 13 Leu CG . 21101 1 176 . 1 . 1 13 13 LEU N N 15 119.98 . . 1 . . . . . 13 Leu N . 21101 1 177 . 1 . 1 14 14 GLY H H 1 8.32 . . 1 . . . . . 14 Gly H . 21101 1 178 . 1 . 1 14 14 GLY HA2 H 1 3.94 . . 2 . . . . . 14 Gly HA2 . 21101 1 179 . 1 . 1 14 14 GLY HA3 H 1 3.99 . . 2 . . . . . 14 Gly HA3 . 21101 1 180 . 1 . 1 14 14 GLY CA C 13 46.98 . . 1 . . . . . 14 Gly CA . 21101 1 181 . 1 . 1 14 14 GLY N N 15 106.71 . . 1 . . . . . 14 Gly N . 21101 1 182 . 1 . 1 15 15 LEU H H 1 8.29 . . 1 . . . . . 15 Leu H . 21101 1 183 . 1 . 1 15 15 LEU HA H 1 4.27 . . 1 . . . . . 15 Leu HA . 21101 1 184 . 1 . 1 15 15 LEU HB2 H 1 1.93 . . 2 . . . . . 15 Leu HB2 . 21101 1 185 . 1 . 1 15 15 LEU HB3 H 1 1.65 . . 2 . . . . . 15 Leu HB3 . 21101 1 186 . 1 . 1 15 15 LEU HD11 H 1 0.98 . . 2 . . . . . 15 Leu HD1 . 21101 1 187 . 1 . 1 15 15 LEU HD12 H 1 0.98 . . 2 . . . . . 15 Leu HD1 . 21101 1 188 . 1 . 1 15 15 LEU HD13 H 1 0.98 . . 2 . . . . . 15 Leu HD1 . 21101 1 189 . 1 . 1 15 15 LEU HD21 H 1 0.96 . . 2 . . . . . 15 Leu HD2 . 21101 1 190 . 1 . 1 15 15 LEU HD22 H 1 0.96 . . 2 . . . . . 15 Leu HD2 . 21101 1 191 . 1 . 1 15 15 LEU HD23 H 1 0.96 . . 2 . . . . . 15 Leu HD2 . 21101 1 192 . 1 . 1 15 15 LEU HG H 1 1.91 . . 1 . . . . . 15 Leu HG . 21101 1 193 . 1 . 1 15 15 LEU CA C 13 57.63 . . 1 . . . . . 15 Leu CA . 21101 1 194 . 1 . 1 15 15 LEU CB C 13 42.03 . . 1 . . . . . 15 Leu CB . 21101 1 195 . 1 . 1 15 15 LEU CD1 C 13 22.74 . . 2 . . . . . 15 Leu CD1 . 21101 1 196 . 1 . 1 15 15 LEU CD2 C 13 24.79 . . 2 . . . . . 15 Leu CD2 . 21101 1 197 . 1 . 1 15 15 LEU CG C 13 26.9 . . 1 . . . . . 15 Leu CG . 21101 1 198 . 1 . 1 15 15 LEU N N 15 121.85 . . 1 . . . . . 15 Leu N . 21101 1 199 . 1 . 1 16 16 LYS H H 1 8.1 . . 1 . . . . . 16 Lys H . 21101 1 200 . 1 . 1 16 16 LYS HA H 1 4.12 . . 1 . . . . . 16 Lys HA . 21101 1 201 . 1 . 1 16 16 LYS HB2 H 1 2.08 . . 2 . . . . . 16 Lys HB2 . 21101 1 202 . 1 . 1 16 16 LYS HB3 H 1 2.08 . . 2 . . . . . 16 Lys HB3 . 21101 1 203 . 1 . 1 16 16 LYS HD2 H 1 1.77 . . 2 . . . . . 16 Lys HD2 . 21101 1 204 . 1 . 1 16 16 LYS HD3 H 1 1.77 . . 2 . . . . . 16 Lys HD3 . 21101 1 205 . 1 . 1 16 16 LYS HE2 H 1 3.07 . . 2 . . . . . 16 Lys HE2 . 21101 1 206 . 1 . 1 16 16 LYS HE3 H 1 3.07 . . 2 . . . . . 16 Lys HE3 . 21101 1 207 . 1 . 1 16 16 LYS HG2 H 1 1.55 . . 2 . . . . . 16 Lys HG2 . 21101 1 208 . 1 . 1 16 16 LYS HG3 H 1 1.66 . . 2 . . . . . 16 Lys HG3 . 21101 1 209 . 1 . 1 16 16 LYS CA C 13 59.1 . . 1 . . . . . 16 Lys CA . 21101 1 210 . 1 . 1 16 16 LYS CB C 13 32.38 . . 1 . . . . . 16 Lys CB . 21101 1 211 . 1 . 1 16 16 LYS CD C 13 29.42 . . 1 . . . . . 16 Lys CD . 21101 1 212 . 1 . 1 16 16 LYS CE C 13 42.25 . . 1 . . . . . 16 Lys CE . 21101 1 213 . 1 . 1 16 16 LYS CG C 13 25.01 . . 1 . . . . . 16 Lys CG . 21101 1 214 . 1 . 1 16 16 LYS N N 15 118.71 . . 1 . . . . . 16 Lys N . 21101 1 215 . 1 . 1 17 17 MET H H 1 8.27 . . 1 . . . . . 17 Met H . 21101 1 216 . 1 . 1 17 17 MET HA H 1 4.32 . . 1 . . . . . 17 Met HA . 21101 1 217 . 1 . 1 17 17 MET HB2 H 1 2.21 . . 2 . . . . . 17 Met HB2 . 21101 1 218 . 1 . 1 17 17 MET HB3 H 1 2.29 . . 2 . . . . . 17 Met HB3 . 21101 1 219 . 1 . 1 17 17 MET HE1 H 1 2.15 . . 1 . . . . . 17 Met HE . 21101 1 220 . 1 . 1 17 17 MET HE2 H 1 2.15 . . 1 . . . . . 17 Met HE . 21101 1 221 . 1 . 1 17 17 MET HE3 H 1 2.15 . . 1 . . . . . 17 Met HE . 21101 1 222 . 1 . 1 17 17 MET HG2 H 1 2.82 . . 2 . . . . . 17 Met HG2 . 21101 1 223 . 1 . 1 17 17 MET HG3 H 1 2.68 . . 2 . . . . . 17 Met HG3 . 21101 1 224 . 1 . 1 17 17 MET CA C 13 57.73 . . 1 . . . . . 17 Met CA . 21101 1 225 . 1 . 1 17 17 MET CB C 13 32.58 . . 1 . . . . . 17 Met CB . 21101 1 226 . 1 . 1 17 17 MET CE C 13 16.28 . . 1 . . . . . 17 Met CE . 21101 1 227 . 1 . 1 17 17 MET CG C 13 32.26 . . 1 . . . . . 17 Met CG . 21101 1 228 . 1 . 1 17 17 MET N N 15 117.25 . . 1 . . . . . 17 Met N . 21101 1 229 . 1 . 1 18 18 ALA H H 1 8.1 . . 1 . . . . . 18 Ala H . 21101 1 230 . 1 . 1 18 18 ALA HA H 1 4.3 . . 1 . . . . . 18 Ala HA . 21101 1 231 . 1 . 1 18 18 ALA HB1 H 1 1.58 . . 1 . . . . . 18 Ala HB . 21101 1 232 . 1 . 1 18 18 ALA HB2 H 1 1.58 . . 1 . . . . . 18 Ala HB . 21101 1 233 . 1 . 1 18 18 ALA HB3 H 1 1.58 . . 1 . . . . . 18 Ala HB . 21101 1 234 . 1 . 1 18 18 ALA CA C 13 54.21 . . 1 . . . . . 18 Ala CA . 21101 1 235 . 1 . 1 18 18 ALA CB C 13 18.67 . . 1 . . . . . 18 Ala CB . 21101 1 236 . 1 . 1 18 18 ALA N N 15 121.65 . . 1 . . . . . 18 Ala N . 21101 1 237 . 1 . 1 19 19 LEU H H 1 8.1 . . 1 . . . . . 19 Leu H . 21101 1 238 . 1 . 1 19 19 LEU HA H 1 4.37 . . 1 . . . . . 19 Leu HA . 21101 1 239 . 1 . 1 19 19 LEU HB2 H 1 1.90 . . 2 . . . . . 19 Leu HB2 . 21101 1 240 . 1 . 1 19 19 LEU HB3 H 1 1.68 . . 2 . . . . . 19 Leu HB3 . 21101 1 241 . 1 . 1 19 19 LEU HD11 H 1 0.98 . . 2 . . . . . 19 Leu HD1 . 21101 1 242 . 1 . 1 19 19 LEU HD12 H 1 0.98 . . 2 . . . . . 19 Leu HD1 . 21101 1 243 . 1 . 1 19 19 LEU HD13 H 1 0.98 . . 2 . . . . . 19 Leu HD1 . 21101 1 244 . 1 . 1 19 19 LEU HD21 H 1 0.97 . . 2 . . . . . 19 Leu HD2 . 21101 1 245 . 1 . 1 19 19 LEU HD22 H 1 0.97 . . 2 . . . . . 19 Leu HD2 . 21101 1 246 . 1 . 1 19 19 LEU HD23 H 1 0.97 . . 2 . . . . . 19 Leu HD2 . 21101 1 247 . 1 . 1 19 19 LEU HG H 1 1.88 . . 1 . . . . . 19 Leu HG . 21101 1 248 . 1 . 1 19 19 LEU CA C 13 55.48 . . 1 . . . . . 19 Leu CA . 21101 1 249 . 1 . 1 19 19 LEU CB C 13 42.66 . . 1 . . . . . 19 Leu CB . 21101 1 250 . 1 . 1 19 19 LEU CD1 C 13 22.18 . . 2 . . . . . 19 Leu CD1 . 21101 1 251 . 1 . 1 19 19 LEU CD2 C 13 24.48 . . 2 . . . . . 19 Leu CD2 . 21101 1 252 . 1 . 1 19 19 LEU CG C 13 26.91 . . 1 . . . . . 19 Leu CG . 21101 1 253 . 1 . 1 19 19 LEU N N 15 117.64 . . 1 . . . . . 19 Leu N . 21101 1 stop_ save_