################################### # 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 30735 _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 $chem_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 1 '2D 1H-13C TROSY' . . . 30735 1 2 '2D 1H-15N HSQC' . . . 30735 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 . 3 . 2 4 4 LYS H H 1 9.0476 . . 1 . . . . B 5 LYS H . 30735 1 2 . 3 . 2 4 4 LYS N N 15 124.5980 . . 1 . . . . B 5 LYS N . 30735 1 3 . 3 . 2 5 5 LEU HD11 H 1 0.7649 . . 2 . . . . B 6 LEU HD11 . 30735 1 4 . 3 . 2 5 5 LEU HD12 H 1 0.7649 . . 2 . . . . B 6 LEU HD12 . 30735 1 5 . 3 . 2 5 5 LEU HD13 H 1 0.7649 . . 2 . . . . B 6 LEU HD13 . 30735 1 6 . 3 . 2 5 5 LEU HD21 H 1 0.4933 . . 2 . . . . B 6 LEU HD21 . 30735 1 7 . 3 . 2 5 5 LEU HD22 H 1 0.4933 . . 2 . . . . B 6 LEU HD22 . 30735 1 8 . 3 . 2 5 5 LEU HD23 H 1 0.4933 . . 2 . . . . B 6 LEU HD23 . 30735 1 9 . 3 . 2 5 5 LEU CD1 C 13 23.3906 . . 2 . . . . B 6 LEU CD1 . 30735 1 10 . 3 . 2 5 5 LEU CD2 C 13 21.4569 . . 2 . . . . B 6 LEU CD2 . 30735 1 11 . 3 . 2 7 7 VAL HG11 H 1 0.7753 . . 2 . . . . B 8 VAL HG11 . 30735 1 12 . 3 . 2 7 7 VAL HG12 H 1 0.7753 . . 2 . . . . B 8 VAL HG12 . 30735 1 13 . 3 . 2 7 7 VAL HG13 H 1 0.7753 . . 2 . . . . B 8 VAL HG13 . 30735 1 14 . 3 . 2 7 7 VAL CG1 C 13 17.3301 . . 2 . . . . B 8 VAL CG1 . 30735 1 15 . 3 . 2 13 13 VAL HG11 H 1 0.9972 . . 2 . . . . B 14 VAL HG11 . 30735 1 16 . 3 . 2 13 13 VAL HG12 H 1 0.9972 . . 2 . . . . B 14 VAL HG12 . 30735 1 17 . 3 . 2 13 13 VAL HG13 H 1 0.9972 . . 2 . . . . B 14 VAL HG13 . 30735 1 18 . 3 . 2 13 13 VAL CG1 C 13 19.1292 . . 2 . . . . B 14 VAL CG1 . 30735 1 19 . 3 . 2 18 18 LEU HD11 H 1 0.4324 . . 2 . . . . B 19 LEU HD11 . 30735 1 20 . 3 . 2 18 18 LEU HD12 H 1 0.4324 . . 2 . . . . B 19 LEU HD12 . 30735 1 21 . 3 . 2 18 18 LEU HD13 H 1 0.4324 . . 2 . . . . B 19 LEU HD13 . 30735 1 22 . 3 . 2 18 18 LEU HD21 H 1 0.5838 . . 2 . . . . B 19 LEU HD21 . 30735 1 23 . 3 . 2 18 18 LEU HD22 H 1 0.5838 . . 2 . . . . B 19 LEU HD22 . 30735 1 24 . 3 . 2 18 18 LEU HD23 H 1 0.5838 . . 2 . . . . B 19 LEU HD23 . 30735 1 25 . 3 . 2 18 18 LEU CD1 C 13 23.6769 . . 2 . . . . B 19 LEU CD1 . 30735 1 26 . 3 . 2 18 18 LEU CD2 C 13 22.4908 . . 2 . . . . B 19 LEU CD2 . 30735 1 27 . 3 . 2 20 20 ILE HD11 H 1 -0.1199 . . 1 . . . . B 21 ILE HD11 . 30735 1 28 . 3 . 2 20 20 ILE HD12 H 1 -0.1199 . . 1 . . . . B 21 ILE HD12 . 30735 1 29 . 3 . 2 20 20 ILE HD13 H 1 -0.1199 . . 1 . . . . B 21 ILE HD13 . 30735 1 30 . 3 . 2 20 20 ILE CD1 C 13 8.4502 . . 1 . . . . B 21 ILE CD1 . 30735 1 31 . 3 . 2 22 22 LEU HD11 H 1 -0.4194 . . 2 . . . . B 23 LEU HD11 . 30735 1 32 . 3 . 2 22 22 LEU HD12 H 1 -0.4194 . . 2 . . . . B 23 LEU HD12 . 30735 1 33 . 3 . 2 22 22 LEU HD13 H 1 -0.4194 . . 2 . . . . B 23 LEU HD13 . 30735 1 34 . 3 . 2 22 22 LEU CD1 C 13 21.1395 . . 2 . . . . B 23 LEU CD1 . 30735 1 35 . 3 . 2 23 23 ILE HD11 H 1 0.2711 . . 1 . . . . B 24 ILE HD11 . 30735 1 36 . 3 . 2 23 23 ILE HD12 H 1 0.2711 . . 1 . . . . B 24 ILE HD12 . 30735 1 37 . 3 . 2 23 23 ILE HD13 H 1 0.2711 . . 1 . . . . B 24 ILE HD13 . 30735 1 38 . 3 . 2 23 23 ILE CD1 C 13 7.7055 . . 1 . . . . B 24 ILE CD1 . 30735 1 39 . 3 . 2 28 28 VAL HG11 H 1 0.4389 . . 2 . . . . B 29 VAL HG11 . 30735 1 40 . 3 . 2 28 28 VAL HG12 H 1 0.4389 . . 2 . . . . B 29 VAL HG12 . 30735 1 41 . 3 . 2 28 28 VAL HG13 H 1 0.4389 . . 2 . . . . B 29 VAL HG13 . 30735 1 42 . 3 . 2 28 28 VAL HG21 H 1 0.5738 . . 2 . . . . B 29 VAL HG21 . 30735 1 43 . 3 . 2 28 28 VAL HG22 H 1 0.5738 . . 2 . . . . B 29 VAL HG22 . 30735 1 44 . 3 . 2 28 28 VAL HG23 H 1 0.5738 . . 2 . . . . B 29 VAL HG23 . 30735 1 45 . 3 . 2 28 28 VAL CG1 C 13 16.3304 . . 2 . . . . B 29 VAL CG1 . 30735 1 46 . 3 . 2 28 28 VAL CG2 C 13 19.0458 . . 2 . . . . B 29 VAL CG2 . 30735 1 47 . 3 . 2 35 35 ILE HD11 H 1 0.5128 . . 1 . . . . B 36 ILE HD11 . 30735 1 48 . 3 . 2 35 35 ILE HD12 H 1 0.5128 . . 1 . . . . B 36 ILE HD12 . 30735 1 49 . 3 . 2 35 35 ILE HD13 H 1 0.5128 . . 1 . . . . B 36 ILE HD13 . 30735 1 50 . 3 . 2 35 35 ILE CD1 C 13 9.7806 . . 1 . . . . B 36 ILE CD1 . 30735 1 51 . 3 . 2 41 41 LYS H H 1 8.4654 . . 1 . . . . B 42 LYS H . 30735 1 52 . 3 . 2 41 41 LYS N N 15 121.8049 . . 1 . . . . B 42 LYS N . 30735 1 53 . 3 . 2 43 43 VAL HG11 H 1 0.5439 . . 2 . . . . B 44 VAL HG11 . 30735 1 54 . 3 . 2 43 43 VAL HG12 H 1 0.5439 . . 2 . . . . B 44 VAL HG12 . 30735 1 55 . 3 . 2 43 43 VAL HG13 H 1 0.5439 . . 2 . . . . B 44 VAL HG13 . 30735 1 56 . 3 . 2 43 43 VAL CG1 C 13 16.9766 . . 2 . . . . B 44 VAL CG1 . 30735 1 57 . 3 . 2 44 44 VAL HG11 H 1 0.4386 . . 2 . . . . B 45 VAL HG11 . 30735 1 58 . 3 . 2 44 44 VAL HG12 H 1 0.4386 . . 2 . . . . B 45 VAL HG12 . 30735 1 59 . 3 . 2 44 44 VAL HG13 H 1 0.4386 . . 2 . . . . B 45 VAL HG13 . 30735 1 60 . 3 . 2 44 44 VAL CG1 C 13 17.8378 . . 2 . . . . B 45 VAL CG1 . 30735 1 61 . 3 . 2 45 45 ILE HD11 H 1 0.2688 . . 1 . . . . B 46 ILE HD11 . 30735 1 62 . 3 . 2 45 45 ILE HD12 H 1 0.2688 . . 1 . . . . B 46 ILE HD12 . 30735 1 63 . 3 . 2 45 45 ILE HD13 H 1 0.2688 . . 1 . . . . B 46 ILE HD13 . 30735 1 64 . 3 . 2 45 45 ILE CD1 C 13 12.3752 . . 1 . . . . B 46 ILE CD1 . 30735 1 65 . 3 . 2 54 54 ILE HD11 H 1 0.3484 . . 1 . . . . B 55 ILE HD11 . 30735 1 66 . 3 . 2 54 54 ILE HD12 H 1 0.3484 . . 1 . . . . B 55 ILE HD12 . 30735 1 67 . 3 . 2 54 54 ILE HD13 H 1 0.3484 . . 1 . . . . B 55 ILE HD13 . 30735 1 68 . 3 . 2 54 54 ILE CD1 C 13 12.5788 . . 1 . . . . B 55 ILE CD1 . 30735 1 69 . 3 . 2 55 55 LEU HD11 H 1 0.3279 . . 2 . . . . B 56 LEU HD11 . 30735 1 70 . 3 . 2 55 55 LEU HD12 H 1 0.3279 . . 2 . . . . B 56 LEU HD12 . 30735 1 71 . 3 . 2 55 55 LEU HD13 H 1 0.3279 . . 2 . . . . B 56 LEU HD13 . 30735 1 72 . 3 . 2 55 55 LEU CD1 C 13 23.8995 . . 2 . . . . B 56 LEU CD1 . 30735 1 73 . 3 . 2 78 78 LEU HD11 H 1 -0.0802 . . 2 . . . . B 79 LEU HD11 . 30735 1 74 . 3 . 2 78 78 LEU HD12 H 1 -0.0802 . . 2 . . . . B 79 LEU HD12 . 30735 1 75 . 3 . 2 78 78 LEU HD13 H 1 -0.0802 . . 2 . . . . B 79 LEU HD13 . 30735 1 76 . 3 . 2 78 78 LEU HD21 H 1 -0.0067 . . 2 . . . . B 79 LEU HD21 . 30735 1 77 . 3 . 2 78 78 LEU HD22 H 1 -0.0067 . . 2 . . . . B 79 LEU HD22 . 30735 1 78 . 3 . 2 78 78 LEU HD23 H 1 -0.0067 . . 2 . . . . B 79 LEU HD23 . 30735 1 79 . 3 . 2 78 78 LEU CD1 C 13 21.9696 . . 2 . . . . B 79 LEU CD1 . 30735 1 80 . 3 . 2 78 78 LEU CD2 C 13 22.4859 . . 2 . . . . B 79 LEU CD2 . 30735 1 81 . 3 . 2 80 80 VAL HG11 H 1 0.3718 . . 2 . . . . B 81 VAL HG11 . 30735 1 82 . 3 . 2 80 80 VAL HG12 H 1 0.3718 . . 2 . . . . B 81 VAL HG12 . 30735 1 83 . 3 . 2 80 80 VAL HG13 H 1 0.3718 . . 2 . . . . B 81 VAL HG13 . 30735 1 84 . 3 . 2 80 80 VAL HG21 H 1 0.4788 . . 2 . . . . B 81 VAL HG21 . 30735 1 85 . 3 . 2 80 80 VAL HG22 H 1 0.4788 . . 2 . . . . B 81 VAL HG22 . 30735 1 86 . 3 . 2 80 80 VAL HG23 H 1 0.4788 . . 2 . . . . B 81 VAL HG23 . 30735 1 87 . 3 . 2 80 80 VAL CG1 C 13 19.7314 . . 2 . . . . B 81 VAL CG1 . 30735 1 88 . 3 . 2 80 80 VAL CG2 C 13 18.7804 . . 2 . . . . B 81 VAL CG2 . 30735 1 89 . 3 . 2 83 83 ILE HD11 H 1 0.5835 . . 1 . . . . B 84 ILE HD11 . 30735 1 90 . 3 . 2 83 83 ILE HD12 H 1 0.5835 . . 1 . . . . B 84 ILE HD12 . 30735 1 91 . 3 . 2 83 83 ILE HD13 H 1 0.5835 . . 1 . . . . B 84 ILE HD13 . 30735 1 92 . 3 . 2 83 83 ILE CD1 C 13 12.3915 . . 1 . . . . B 84 ILE CD1 . 30735 1 93 . 3 . 2 92 92 ILE HD11 H 1 0.6278 . . 1 . . . . B 93 ILE HD11 . 30735 1 94 . 3 . 2 92 92 ILE HD12 H 1 0.6278 . . 1 . . . . B 93 ILE HD12 . 30735 1 95 . 3 . 2 92 92 ILE HD13 H 1 0.6278 . . 1 . . . . B 93 ILE HD13 . 30735 1 96 . 3 . 2 92 92 ILE CD1 C 13 6.1436 . . 1 . . . . B 93 ILE CD1 . 30735 1 97 . 3 . 2 99 99 ILE HD11 H 1 0.2013 . . 1 . . . . B 100 ILE HD11 . 30735 1 98 . 3 . 2 99 99 ILE HD12 H 1 0.2013 . . 1 . . . . B 100 ILE HD12 . 30735 1 99 . 3 . 2 99 99 ILE HD13 H 1 0.2013 . . 1 . . . . B 100 ILE HD13 . 30735 1 100 . 3 . 2 99 99 ILE CD1 C 13 12.6947 . . 1 . . . . B 100 ILE CD1 . 30735 1 101 . 3 . 2 100 100 LYS H H 1 7.6973 . . 1 . . . . B 101 LYS H . 30735 1 102 . 3 . 2 100 100 LYS N N 15 117.1583 . . 1 . . . . B 101 LYS N . 30735 1 103 . 3 . 2 102 102 VAL HG11 H 1 0.8609 . . 2 . . . . B 103 VAL HG11 . 30735 1 104 . 3 . 2 102 102 VAL HG12 H 1 0.8609 . . 2 . . . . B 103 VAL HG12 . 30735 1 105 . 3 . 2 102 102 VAL HG13 H 1 0.8609 . . 2 . . . . B 103 VAL HG13 . 30735 1 106 . 3 . 2 102 102 VAL HG21 H 1 0.7641 . . 2 . . . . B 103 VAL HG21 . 30735 1 107 . 3 . 2 102 102 VAL HG22 H 1 0.7641 . . 2 . . . . B 103 VAL HG22 . 30735 1 108 . 3 . 2 102 102 VAL HG23 H 1 0.7641 . . 2 . . . . B 103 VAL HG23 . 30735 1 109 . 3 . 2 102 102 VAL CG1 C 13 19.3964 . . 2 . . . . B 103 VAL CG1 . 30735 1 110 . 3 . 2 102 102 VAL CG2 C 13 18.6107 . . 2 . . . . B 103 VAL CG2 . 30735 1 111 . 3 . 2 103 103 LYS H H 1 7.8556 . . 1 . . . . B 104 LYS H . 30735 1 112 . 3 . 2 103 103 LYS N N 15 116.5665 . . 1 . . . . B 104 LYS N . 30735 1 113 . 3 . 2 108 108 VAL HG11 H 1 0.5231 . . 2 . . . . B 109 VAL HG11 . 30735 1 114 . 3 . 2 108 108 VAL HG12 H 1 0.5231 . . 2 . . . . B 109 VAL HG12 . 30735 1 115 . 3 . 2 108 108 VAL HG13 H 1 0.5231 . . 2 . . . . B 109 VAL HG13 . 30735 1 116 . 3 . 2 108 108 VAL CG1 C 13 18.3464 . . 2 . . . . B 109 VAL CG1 . 30735 1 117 . 3 . 2 111 111 VAL HG11 H 1 0.5984 . . 2 . . . . B 112 VAL HG11 . 30735 1 118 . 3 . 2 111 111 VAL HG12 H 1 0.5984 . . 2 . . . . B 112 VAL HG12 . 30735 1 119 . 3 . 2 111 111 VAL HG13 H 1 0.5984 . . 2 . . . . B 112 VAL HG13 . 30735 1 120 . 3 . 2 111 111 VAL CG1 C 13 19.8013 . . 2 . . . . B 112 VAL CG1 . 30735 1 121 . 3 . 2 112 112 LEU HD11 H 1 0.8924 . . 2 . . . . B 113 LEU HD11 . 30735 1 122 . 3 . 2 112 112 LEU HD12 H 1 0.8924 . . 2 . . . . B 113 LEU HD12 . 30735 1 123 . 3 . 2 112 112 LEU HD13 H 1 0.8924 . . 2 . . . . B 113 LEU HD13 . 30735 1 124 . 3 . 2 112 112 LEU CD1 C 13 24.3440 . . 2 . . . . B 113 LEU CD1 . 30735 1 125 . 3 . 2 113 113 VAL HG11 H 1 0.5110 . . 2 . . . . B 114 VAL HG11 . 30735 1 126 . 3 . 2 113 113 VAL HG12 H 1 0.5110 . . 2 . . . . B 114 VAL HG12 . 30735 1 127 . 3 . 2 113 113 VAL HG13 H 1 0.5110 . . 2 . . . . B 114 VAL HG13 . 30735 1 128 . 3 . 2 113 113 VAL CG1 C 13 20.3663 . . 2 . . . . B 114 VAL CG1 . 30735 1 129 . 3 . 2 119 119 LEU HD11 H 1 0.7114 . . 2 . . . . B 120 LEU HD11 . 30735 1 130 . 3 . 2 119 119 LEU HD12 H 1 0.7114 . . 2 . . . . B 120 LEU HD12 . 30735 1 131 . 3 . 2 119 119 LEU HD13 H 1 0.7114 . . 2 . . . . B 120 LEU HD13 . 30735 1 132 . 3 . 2 119 119 LEU CD1 C 13 24.1351 . . 2 . . . . B 120 LEU CD1 . 30735 1 133 . 3 . 2 124 124 VAL HG11 H 1 -0.3500 . . 2 . . . . B 125 VAL HG11 . 30735 1 134 . 3 . 2 124 124 VAL HG12 H 1 -0.3500 . . 2 . . . . B 125 VAL HG12 . 30735 1 135 . 3 . 2 124 124 VAL HG13 H 1 -0.3500 . . 2 . . . . B 125 VAL HG13 . 30735 1 136 . 3 . 2 124 124 VAL HG21 H 1 0.4923 . . 2 . . . . B 125 VAL HG21 . 30735 1 137 . 3 . 2 124 124 VAL HG22 H 1 0.4923 . . 2 . . . . B 125 VAL HG22 . 30735 1 138 . 3 . 2 124 124 VAL HG23 H 1 0.4923 . . 2 . . . . B 125 VAL HG23 . 30735 1 139 . 3 . 2 124 124 VAL CG1 C 13 16.1121 . . 2 . . . . B 125 VAL CG1 . 30735 1 140 . 3 . 2 124 124 VAL CG2 C 13 17.0565 . . 2 . . . . B 125 VAL CG2 . 30735 1 141 . 3 . 2 127 127 LYS H H 1 8.3039 . . 1 . . . . B 128 LYS H . 30735 1 142 . 3 . 2 127 127 LYS N N 15 120.2040 . . 1 . . . . B 128 LYS N . 30735 1 143 . 3 . 2 132 132 LEU HD11 H 1 0.2492 . . 2 . . . . B 133 LEU HD11 . 30735 1 144 . 3 . 2 132 132 LEU HD12 H 1 0.2492 . . 2 . . . . B 133 LEU HD12 . 30735 1 145 . 3 . 2 132 132 LEU HD13 H 1 0.2492 . . 2 . . . . B 133 LEU HD13 . 30735 1 146 . 3 . 2 132 132 LEU CD1 C 13 23.0688 . . 2 . . . . B 133 LEU CD1 . 30735 1 147 . 3 . 2 138 138 ILE HD11 H 1 0.7014 . . 1 . . . . B 139 ILE HD11 . 30735 1 148 . 3 . 2 138 138 ILE HD12 H 1 0.7014 . . 1 . . . . B 139 ILE HD12 . 30735 1 149 . 3 . 2 138 138 ILE HD13 H 1 0.7014 . . 1 . . . . B 139 ILE HD13 . 30735 1 150 . 3 . 2 138 138 ILE CD1 C 13 12.1882 . . 1 . . . . B 139 ILE CD1 . 30735 1 151 . 3 . 2 141 141 ILE HD11 H 1 0.5153 . . 1 . . . . B 142 ILE HD11 . 30735 1 152 . 3 . 2 141 141 ILE HD12 H 1 0.5153 . . 1 . . . . B 142 ILE HD12 . 30735 1 153 . 3 . 2 141 141 ILE HD13 H 1 0.5153 . . 1 . . . . B 142 ILE HD13 . 30735 1 154 . 3 . 2 141 141 ILE CD1 C 13 10.8454 . . 1 . . . . B 142 ILE CD1 . 30735 1 155 . 3 . 2 146 146 LYS H H 1 6.8452 . . 1 . . . . B 147 LYS H . 30735 1 156 . 3 . 2 146 146 LYS N N 15 115.9404 . . 1 . . . . B 147 LYS N . 30735 1 157 . 3 . 2 158 158 LEU HD11 H 1 0.5167 . . 2 . . . . B 159 LEU HD11 . 30735 1 158 . 3 . 2 158 158 LEU HD12 H 1 0.5167 . . 2 . . . . B 159 LEU HD12 . 30735 1 159 . 3 . 2 158 158 LEU HD13 H 1 0.5167 . . 2 . . . . B 159 LEU HD13 . 30735 1 160 . 3 . 2 158 158 LEU CD1 C 13 24.3797 . . 2 . . . . B 159 LEU CD1 . 30735 1 161 . 3 . 2 159 159 VAL HG11 H 1 -0.1460 . . 2 . . . . B 160 VAL HG11 . 30735 1 162 . 3 . 2 159 159 VAL HG12 H 1 -0.1460 . . 2 . . . . B 160 VAL HG12 . 30735 1 163 . 3 . 2 159 159 VAL HG13 H 1 -0.1460 . . 2 . . . . B 160 VAL HG13 . 30735 1 164 . 3 . 2 159 159 VAL HG21 H 1 0.4847 . . 2 . . . . B 160 VAL HG21 . 30735 1 165 . 3 . 2 159 159 VAL HG22 H 1 0.4847 . . 2 . . . . B 160 VAL HG22 . 30735 1 166 . 3 . 2 159 159 VAL HG23 H 1 0.4847 . . 2 . . . . B 160 VAL HG23 . 30735 1 167 . 3 . 2 159 159 VAL CG1 C 13 16.4930 . . 2 . . . . B 160 VAL CG1 . 30735 1 168 . 3 . 2 159 159 VAL CG2 C 13 20.5101 . . 2 . . . . B 160 VAL CG2 . 30735 1 169 . 3 . 2 162 162 ILE HD11 H 1 0.4805 . . 1 . . . . B 163 ILE HD11 . 30735 1 170 . 3 . 2 162 162 ILE HD12 H 1 0.4805 . . 1 . . . . B 163 ILE HD12 . 30735 1 171 . 3 . 2 162 162 ILE HD13 H 1 0.4805 . . 1 . . . . B 163 ILE HD13 . 30735 1 172 . 3 . 2 162 162 ILE CD1 C 13 12.9477 . . 1 . . . . B 163 ILE CD1 . 30735 1 173 . 3 . 2 164 164 LYS H H 1 7.8024 . . 1 . . . . B 165 LYS H . 30735 1 174 . 3 . 2 164 164 LYS N N 15 118.4272 . . 1 . . . . B 165 LYS N . 30735 1 175 . 3 . 2 166 166 LYS H H 1 8.5896 . . 1 . . . . B 167 LYS H . 30735 1 176 . 3 . 2 166 166 LYS N N 15 118.8828 . . 1 . . . . B 167 LYS N . 30735 1 177 . 3 . 2 168 168 LYS H H 1 7.6958 . . 1 . . . . B 169 LYS H . 30735 1 178 . 3 . 2 168 168 LYS N N 15 120.4802 . . 1 . . . . B 169 LYS N . 30735 1 179 . 3 . 2 171 171 LYS H H 1 7.8866 . . 1 . . . . B 172 LYS H . 30735 1 180 . 3 . 2 171 171 LYS N N 15 122.2474 . . 1 . . . . B 172 LYS N . 30735 1 181 . 3 . 2 174 174 LYS H H 1 7.9375 . . 1 . . . . B 175 LYS H . 30735 1 182 . 3 . 2 174 174 LYS N N 15 120.2556 . . 1 . . . . B 175 LYS N . 30735 1 183 . 3 . 2 175 175 LYS H H 1 8.0065 . . 1 . . . . B 176 LYS H . 30735 1 184 . 3 . 2 175 175 LYS N N 15 121.4329 . . 1 . . . . B 176 LYS N . 30735 1 185 . 3 . 2 176 176 LYS H H 1 8.1286 . . 1 . . . . B 177 LYS H . 30735 1 186 . 3 . 2 176 176 LYS N N 15 122.5825 . . 1 . . . . B 177 LYS N . 30735 1 187 . 3 . 2 177 177 LYS H H 1 8.2097 . . 1 . . . . B 178 LYS H . 30735 1 188 . 3 . 2 177 177 LYS N N 15 123.3062 . . 1 . . . . B 178 LYS N . 30735 1 189 . 3 . 2 178 178 LYS H H 1 8.2670 . . 1 . . . . B 179 LYS H . 30735 1 190 . 3 . 2 178 178 LYS N N 15 123.7591 . . 1 . . . . B 179 LYS N . 30735 1 stop_ save_