################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6618 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $P6_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '1H TOCSY' 1 $sample_1 isotropic 6618 1 2 '1H COSY' 1 $sample_1 isotropic 6618 1 3 '1H NOESY' 1 $sample_1 isotropic 6618 1 4 '1H ROESY' 1 $sample_1 isotropic 6618 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 $NMRView5 . . 6618 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 4.330 0.02 . 1 . . . . 1 PHE HA . 6618 1 2 . 1 1 1 1 PHE HB2 H 1 3.570 0.02 . 2 . . . . 1 PHE HB1 . 6618 1 3 . 1 1 1 1 PHE HB3 H 1 3.290 0.02 . 2 . . . . 1 PHE HB2 . 6618 1 4 . 1 1 1 1 PHE HD1 H 1 7.301 0.02 . 3 . . . . 1 PHE HD1 . 6618 1 5 . 1 1 1 1 PHE HE1 H 1 7.400 0.02 . 3 . . . . 1 PHE HE1 . 6618 1 6 . 1 1 2 2 LYS H H 1 8.368 0.02 . 1 . . . . 2 LYS HN . 6618 1 7 . 1 1 2 2 LYS HA H 1 4.446 0.02 . 1 . . . . 2 LYS HA . 6618 1 8 . 1 1 2 2 LYS HB2 H 1 1.726 0.02 . 2 . . . . 2 LYS HB1 . 6618 1 9 . 1 1 2 2 LYS HB3 H 1 1.818 0.02 . 2 . . . . 2 LYS HB2 . 6618 1 10 . 1 1 2 2 LYS HG2 H 1 1.427 0.02 . 2 . . . . 2 LYS HG2 . 6618 1 11 . 1 1 2 2 LYS HE2 H 1 2.992 0.02 . 2 . . . . 2 LYS HE2 . 6618 1 12 . 1 1 3 3 ILE H H 1 7.869 0.02 . 1 . . . . 3 ILE HN . 6618 1 13 . 1 1 3 3 ILE HA H 1 4.210 0.02 . 1 . . . . 3 ILE HA . 6618 1 14 . 1 1 3 3 ILE HB H 1 1.820 0.02 . 1 . . . . 3 ILE HB . 6618 1 15 . 1 1 3 3 ILE HG12 H 1 1.201 0.02 . 1 . . . . 3 ILE HG11 . 6618 1 16 . 1 1 3 3 ILE HG13 H 1 1.518 0.02 . 1 . . . . 3 ILE HG12 . 6618 1 17 . 1 1 3 3 ILE HD11 H 1 0.924 0.02 . 1 . . . . 3 ILE HD1 . 6618 1 18 . 1 1 3 3 ILE HD12 H 1 0.924 0.02 . 1 . . . . 3 ILE HD1 . 6618 1 19 . 1 1 3 3 ILE HD13 H 1 0.924 0.02 . 1 . . . . 3 ILE HD1 . 6618 1 20 . 1 1 4 4 LYS H H 1 7.966 0.02 . 1 . . . . 4 LYS HN . 6618 1 21 . 1 1 4 4 LYS HA H 1 4.714 0.02 . 1 . . . . 4 LYS HA . 6618 1 22 . 1 1 4 4 LYS HB2 H 1 1.771 0.02 . 2 . . . . 4 LYS HB1 . 6618 1 23 . 1 1 4 4 LYS HB3 H 1 1.891 0.02 . 2 . . . . 4 LYS HB2 . 6618 1 24 . 1 1 4 4 LYS HG2 H 1 1.530 0.02 . 2 . . . . 4 LYS HG2 . 6618 1 25 . 1 1 4 4 LYS HE2 H 1 3.039 0.02 . 2 . . . . 4 LYS HE2 . 6618 1 26 . 1 1 5 5 PRO HA H 1 4.374 0.02 . 1 . . . . 5 PRO HA . 6618 1 27 . 1 1 5 5 PRO HB2 H 1 2.114 0.02 . 2 . . . . 5 PRO HB1 . 6618 1 28 . 1 1 5 5 PRO HB3 H 1 2.295 0.02 . 2 . . . . 5 PRO HB2 . 6618 1 29 . 1 1 5 5 PRO HG2 H 1 2.007 0.02 . 2 . . . . 5 PRO HG2 . 6618 1 30 . 1 1 5 5 PRO HD2 H 1 3.726 0.02 . 2 . . . . 5 PRO HD1 . 6618 1 31 . 1 1 5 5 PRO HD3 H 1 3.874 0.02 . 2 . . . . 5 PRO HD2 . 6618 1 32 . 1 1 6 6 GLY H H 1 8.237 0.02 . 1 . . . . 6 GLY HN . 6618 1 33 . 1 1 6 6 GLY HA2 H 1 3.975 0.02 . 2 . . . . 6 GLY HA2 . 6618 1 34 . 1 1 7 7 LYS H H 1 8.038 0.02 . 1 . . . . 7 LYS HN . 6618 1 35 . 1 1 7 7 LYS HA H 1 4.305 0.02 . 1 . . . . 7 LYS HA . 6618 1 36 . 1 1 7 7 LYS HB2 H 1 1.772 0.02 . 2 . . . . 7 LYS HB1 . 6618 1 37 . 1 1 7 7 LYS HB3 H 1 1.936 0.02 . 2 . . . . 7 LYS HB2 . 6618 1 38 . 1 1 7 7 LYS HG2 H 1 1.583 0.02 . 2 . . . . 7 LYS HG2 . 6618 1 39 . 1 1 7 7 LYS HE2 H 1 3.062 0.02 . 2 . . . . 7 LYS HE2 . 6618 1 40 . 1 1 8 8 VAL H H 1 7.740 0.02 . 1 . . . . 8 VAL HN . 6618 1 41 . 1 1 8 8 VAL HA H 1 3.950 0.02 . 1 . . . . 8 VAL HA . 6618 1 42 . 1 1 8 8 VAL HB H 1 2.192 0.02 . 1 . . . . 8 VAL HB . 6618 1 43 . 1 1 8 8 VAL HG11 H 1 0.989 0.02 . 2 . . . . 8 VAL HG1 . 6618 1 44 . 1 1 8 8 VAL HG12 H 1 0.989 0.02 . 2 . . . . 8 VAL HG1 . 6618 1 45 . 1 1 8 8 VAL HG13 H 1 0.989 0.02 . 2 . . . . 8 VAL HG1 . 6618 1 46 . 1 1 8 8 VAL HG21 H 1 1.038 0.02 . 2 . . . . 8 VAL HG2 . 6618 1 47 . 1 1 8 8 VAL HG22 H 1 1.038 0.02 . 2 . . . . 8 VAL HG2 . 6618 1 48 . 1 1 8 8 VAL HG23 H 1 1.038 0.02 . 2 . . . . 8 VAL HG2 . 6618 1 49 . 1 1 9 9 LEU H H 1 7.952 0.02 . 1 . . . . 9 LEU HN . 6618 1 50 . 1 1 9 9 LEU HA H 1 4.259 0.02 . 1 . . . . 9 LEU HA . 6618 1 51 . 1 1 9 9 LEU HB2 H 1 1.684 0.02 . 2 . . . . 9 LEU HB2 . 6618 1 52 . 1 1 9 9 LEU HD11 H 1 0.962 0.02 . 2 . . . . 9 LEU HD1 . 6618 1 53 . 1 1 9 9 LEU HD12 H 1 0.962 0.02 . 2 . . . . 9 LEU HD1 . 6618 1 54 . 1 1 9 9 LEU HD13 H 1 0.962 0.02 . 2 . . . . 9 LEU HD1 . 6618 1 55 . 1 1 9 9 LEU HD21 H 1 0.915 0.02 . 2 . . . . 9 LEU HD2 . 6618 1 56 . 1 1 9 9 LEU HD22 H 1 0.915 0.02 . 2 . . . . 9 LEU HD2 . 6618 1 57 . 1 1 9 9 LEU HD23 H 1 0.915 0.02 . 2 . . . . 9 LEU HD2 . 6618 1 58 . 1 1 10 10 ASP H H 1 8.085 0.02 . 1 . . . . 10 ASP HN . 6618 1 59 . 1 1 10 10 ASP HA H 1 4.539 0.02 . 1 . . . . 10 ASP HA . 6618 1 60 . 1 1 10 10 ASP HB2 H 1 2.888 0.02 . 2 . . . . 10 ASP HB1 . 6618 1 61 . 1 1 10 10 ASP HB3 H 1 2.945 0.02 . 2 . . . . 10 ASP HB2 . 6618 1 62 . 1 1 11 11 LYS H H 1 7.824 0.02 . 1 . . . . 11 LYS HN . 6618 1 63 . 1 1 11 11 LYS HA H 1 4.165 0.02 . 1 . . . . 11 LYS HA . 6618 1 64 . 1 1 11 11 LYS HB2 H 1 1.679 0.02 . 2 . . . . 11 LYS HB1 . 6618 1 65 . 1 1 11 11 LYS HB3 H 1 1.866 0.02 . 2 . . . . 11 LYS HB2 . 6618 1 66 . 1 1 11 11 LYS HG2 H 1 1.350 0.02 . 2 . . . . 11 LYS HG2 . 6618 1 67 . 1 1 11 11 LYS HE2 H 1 2.996 0.02 . 2 . . . . 11 LYS HE2 . 6618 1 68 . 1 1 12 12 PHE H H 1 8.239 0.02 . 1 . . . . 12 PHE HN . 6618 1 69 . 1 1 12 12 PHE HA H 1 4.487 0.02 . 1 . . . . 12 PHE HA . 6618 1 70 . 1 1 12 12 PHE HB2 H 1 3.157 0.02 . 2 . . . . 12 PHE HB1 . 6618 1 71 . 1 1 12 12 PHE HB3 H 1 3.228 0.02 . 2 . . . . 12 PHE HB2 . 6618 1 72 . 1 1 12 12 PHE HD1 H 1 7.235 0.02 . 3 . . . . 12 PHE HD1 . 6618 1 73 . 1 1 12 12 PHE HE1 H 1 7.297 0.02 . 3 . . . . 12 PHE HE1 . 6618 1 74 . 1 1 13 13 GLY H H 1 8.442 0.02 . 1 . . . . 13 GLY HN . 6618 1 75 . 1 1 13 13 GLY HA2 H 1 3.786 0.02 . 2 . . . . 13 GLY HA1 . 6618 1 76 . 1 1 13 13 GLY HA3 H 1 4.004 0.02 . 2 . . . . 13 GLY HA2 . 6618 1 77 . 1 1 14 14 LYS H H 1 7.841 0.02 . 1 . . . . 14 LYS HN . 6618 1 78 . 1 1 14 14 LYS HA H 1 4.211 0.02 . 1 . . . . 14 LYS HA . 6618 1 79 . 1 1 14 14 LYS HB2 H 1 1.753 0.02 . 2 . . . . 14 LYS HB1 . 6618 1 80 . 1 1 14 14 LYS HB3 H 1 2.031 0.02 . 2 . . . . 14 LYS HB2 . 6618 1 81 . 1 1 14 14 LYS HG2 H 1 1.518 0.02 . 2 . . . . 14 LYS HG2 . 6618 1 82 . 1 1 14 14 LYS HD2 H 1 1.940 0.02 . 2 . . . . 14 LYS HD2 . 6618 1 83 . 1 1 14 14 LYS HE2 H 1 3.038 0.02 . 2 . . . . 14 LYS HE2 . 6618 1 84 . 1 1 15 15 ILE H H 1 7.711 0.02 . 1 . . . . 15 ILE HN . 6618 1 85 . 1 1 15 15 ILE HA H 1 3.930 0.02 . 1 . . . . 15 ILE HA . 6618 1 86 . 1 1 15 15 ILE HB H 1 2.031 0.02 . 1 . . . . 15 ILE HB . 6618 1 87 . 1 1 15 15 ILE HG12 H 1 1.236 0.02 . 1 . . . . 15 ILE HG11 . 6618 1 88 . 1 1 15 15 ILE HG13 H 1 1.714 0.02 . 1 . . . . 15 ILE HG12 . 6618 1 89 . 1 1 15 15 ILE HD11 H 1 0.944 0.02 . 1 . . . . 15 ILE HD1 . 6618 1 90 . 1 1 15 15 ILE HD12 H 1 0.944 0.02 . 1 . . . . 15 ILE HD1 . 6618 1 91 . 1 1 15 15 ILE HD13 H 1 0.944 0.02 . 1 . . . . 15 ILE HD1 . 6618 1 92 . 1 1 16 16 VAL H H 1 8.086 0.02 . 1 . . . . 16 VAL HN . 6618 1 93 . 1 1 16 16 VAL HA H 1 3.584 0.02 . 1 . . . . 16 VAL HA . 6618 1 94 . 1 1 16 16 VAL HB H 1 1.931 0.02 . 1 . . . . 16 VAL HB . 6618 1 95 . 1 1 16 16 VAL HG11 H 1 0.849 0.02 . 2 . . . . 16 VAL HG1 . 6618 1 96 . 1 1 16 16 VAL HG12 H 1 0.849 0.02 . 2 . . . . 16 VAL HG1 . 6618 1 97 . 1 1 16 16 VAL HG13 H 1 0.849 0.02 . 2 . . . . 16 VAL HG1 . 6618 1 98 . 1 1 16 16 VAL HG21 H 1 0.888 0.02 . 2 . . . . 16 VAL HG2 . 6618 1 99 . 1 1 16 16 VAL HG22 H 1 0.888 0.02 . 2 . . . . 16 VAL HG2 . 6618 1 100 . 1 1 16 16 VAL HG23 H 1 0.888 0.02 . 2 . . . . 16 VAL HG2 . 6618 1 101 . 1 1 17 17 GLY H H 1 8.045 0.02 . 1 . . . . 17 GLY HN . 6618 1 102 . 1 1 17 17 GLY HA2 H 1 3.812 0.02 . 2 . . . . 17 GLY HA1 . 6618 1 103 . 1 1 17 17 GLY HA3 H 1 3.885 0.02 . 2 . . . . 17 GLY HA2 . 6618 1 104 . 1 1 18 18 LYS H H 1 7.553 0.02 . 1 . . . . 18 LYS HN . 6618 1 105 . 1 1 18 18 LYS HA H 1 4.142 0.02 . 1 . . . . 18 LYS HA . 6618 1 106 . 1 1 18 18 LYS HB2 H 1 1.752 0.02 . 2 . . . . 18 LYS HB1 . 6618 1 107 . 1 1 18 18 LYS HB3 H 1 2.061 0.02 . 2 . . . . 18 LYS HB2 . 6618 1 108 . 1 1 18 18 LYS HG2 H 1 1.506 0.02 . 2 . . . . 18 LYS HG2 . 6618 1 109 . 1 1 18 18 LYS HE2 H 1 3.039 0.02 . 2 . . . . 18 LYS HE2 . 6618 1 110 . 1 1 19 19 VAL H H 1 8.027 0.02 . 1 . . . . 19 VAL HN . 6618 1 111 . 1 1 19 19 VAL HA H 1 3.681 0.02 . 1 . . . . 19 VAL HA . 6618 1 112 . 1 1 19 19 VAL HB H 1 2.265 0.02 . 1 . . . . 19 VAL HB . 6618 1 113 . 1 1 19 19 VAL HG11 H 1 0.960 0.02 . 2 . . . . 19 VAL HG1 . 6618 1 114 . 1 1 19 19 VAL HG12 H 1 0.960 0.02 . 2 . . . . 19 VAL HG1 . 6618 1 115 . 1 1 19 19 VAL HG13 H 1 0.960 0.02 . 2 . . . . 19 VAL HG1 . 6618 1 116 . 1 1 19 19 VAL HG21 H 1 1.057 0.02 . 2 . . . . 19 VAL HG2 . 6618 1 117 . 1 1 19 19 VAL HG22 H 1 1.057 0.02 . 2 . . . . 19 VAL HG2 . 6618 1 118 . 1 1 19 19 VAL HG23 H 1 1.057 0.02 . 2 . . . . 19 VAL HG2 . 6618 1 119 . 1 1 20 20 LEU H H 1 8.555 0.02 . 1 . . . . 20 LEU HN . 6618 1 120 . 1 1 20 20 LEU HA H 1 4.083 0.02 . 1 . . . . 20 LEU HA . 6618 1 121 . 1 1 20 20 LEU HB2 H 1 1.898 0.02 . 2 . . . . 20 LEU HB2 . 6618 1 122 . 1 1 20 20 LEU HG H 1 1.538 0.02 . 1 . . . . 20 LEU HG . 6618 1 123 . 1 1 20 20 LEU HD11 H 1 0.884 0.02 . 2 . . . . 20 LEU HD1 . 6618 1 124 . 1 1 20 20 LEU HD12 H 1 0.884 0.02 . 2 . . . . 20 LEU HD1 . 6618 1 125 . 1 1 20 20 LEU HD13 H 1 0.884 0.02 . 2 . . . . 20 LEU HD1 . 6618 1 126 . 1 1 21 21 LYS H H 1 7.710 0.02 . 1 . . . . 21 LYS HN . 6618 1 127 . 1 1 21 21 LYS HA H 1 4.024 0.02 . 1 . . . . 21 LYS HA . 6618 1 128 . 1 1 21 21 LYS HB2 H 1 1.750 0.02 . 2 . . . . 21 LYS HB1 . 6618 1 129 . 1 1 21 21 LYS HB3 H 1 1.980 0.02 . 2 . . . . 21 LYS HB2 . 6618 1 130 . 1 1 21 21 LYS HG2 H 1 1.480 0.02 . 2 . . . . 21 LYS HG2 . 6618 1 131 . 1 1 21 21 LYS HE2 H 1 3.034 0.02 . 2 . . . . 21 LYS HE2 . 6618 1 132 . 1 1 22 22 GLN H H 1 7.903 0.02 . 1 . . . . 22 GLN HN . 6618 1 133 . 1 1 22 22 GLN HA H 1 4.245 0.02 . 1 . . . . 22 GLN HA . 6618 1 134 . 1 1 22 22 GLN HB2 H 1 2.320 0.02 . 2 . . . . 22 GLN HB1 . 6618 1 135 . 1 1 22 22 GLN HB3 H 1 2.267 0.02 . 2 . . . . 22 GLN HB2 . 6618 1 136 . 1 1 22 22 GLN HG2 H 1 2.575 0.02 . 2 . . . . 22 GLN HG2 . 6618 1 137 . 1 1 23 23 LEU H H 1 8.598 0.02 . 1 . . . . 23 LEU HN . 6618 1 138 . 1 1 23 23 LEU HA H 1 4.165 0.02 . 1 . . . . 23 LEU HA . 6618 1 139 . 1 1 23 23 LEU HB2 H 1 1.913 0.02 . 2 . . . . 23 LEU HB2 . 6618 1 140 . 1 1 23 23 LEU HG H 1 1.608 0.02 . 1 . . . . 23 LEU HG . 6618 1 141 . 1 1 23 23 LEU HD11 H 1 0.894 0.02 . 2 . . . . 23 LEU HD1 . 6618 1 142 . 1 1 23 23 LEU HD12 H 1 0.894 0.02 . 2 . . . . 23 LEU HD1 . 6618 1 143 . 1 1 23 23 LEU HD13 H 1 0.894 0.02 . 2 . . . . 23 LEU HD1 . 6618 1 144 . 1 1 23 23 LEU HD21 H 1 0.870 0.02 . 2 . . . . 23 LEU HD2 . 6618 1 145 . 1 1 23 23 LEU HD22 H 1 0.870 0.02 . 2 . . . . 23 LEU HD2 . 6618 1 146 . 1 1 23 23 LEU HD23 H 1 0.870 0.02 . 2 . . . . 23 LEU HD2 . 6618 1 147 . 1 1 24 24 LYS H H 1 8.182 0.02 . 1 . . . . 24 LYS HN . 6618 1 148 . 1 1 24 24 LYS HA H 1 4.060 0.02 . 1 . . . . 24 LYS HA . 6618 1 149 . 1 1 24 24 LYS HB2 H 1 1.730 0.02 . 2 . . . . 24 LYS HB1 . 6618 1 150 . 1 1 24 24 LYS HB3 H 1 1.991 0.02 . 2 . . . . 24 LYS HB2 . 6618 1 151 . 1 1 24 24 LYS HG2 H 1 1.538 0.02 . 2 . . . . 24 LYS HG2 . 6618 1 152 . 1 1 25 25 LYS H H 1 7.710 0.02 . 1 . . . . 25 LYS HN . 6618 1 153 . 1 1 25 25 LYS HA H 1 4.189 0.02 . 1 . . . . 25 LYS HA . 6618 1 154 . 1 1 25 25 LYS HB2 H 1 1.634 0.02 . 2 . . . . 25 LYS HB1 . 6618 1 155 . 1 1 25 25 LYS HB3 H 1 2.047 0.02 . 2 . . . . 25 LYS HB2 . 6618 1 156 . 1 1 25 25 LYS HG2 H 1 1.500 0.02 . 2 . . . . 25 LYS HG2 . 6618 1 157 . 1 1 25 25 LYS HE2 H 1 3.034 0.02 . 2 . . . . 25 LYS HE2 . 6618 1 158 . 1 1 26 26 VAL H H 1 8.174 0.02 . 1 . . . . 26 VAL HN . 6618 1 159 . 1 1 26 26 VAL HA H 1 3.907 0.02 . 1 . . . . 26 VAL HA . 6618 1 160 . 1 1 26 26 VAL HB H 1 2.241 0.02 . 1 . . . . 26 VAL HB . 6618 1 161 . 1 1 26 26 VAL HG11 H 1 1.007 0.02 . 2 . . . . 26 VAL HG1 . 6618 1 162 . 1 1 26 26 VAL HG12 H 1 1.007 0.02 . 2 . . . . 26 VAL HG1 . 6618 1 163 . 1 1 26 26 VAL HG13 H 1 1.007 0.02 . 2 . . . . 26 VAL HG1 . 6618 1 164 . 1 1 26 26 VAL HG21 H 1 1.102 0.02 . 2 . . . . 26 VAL HG2 . 6618 1 165 . 1 1 26 26 VAL HG22 H 1 1.102 0.02 . 2 . . . . 26 VAL HG2 . 6618 1 166 . 1 1 26 26 VAL HG23 H 1 1.102 0.02 . 2 . . . . 26 VAL HG2 . 6618 1 167 . 1 1 27 27 SER H H 1 8.113 0.02 . 1 . . . . 27 SER HN . 6618 1 168 . 1 1 27 27 SER HA H 1 4.284 0.02 . 1 . . . . 27 SER HA . 6618 1 169 . 1 1 27 27 SER HB2 H 1 3.989 0.02 . 2 . . . . 27 SER HB1 . 6618 1 170 . 1 1 27 27 SER HB3 H 1 4.033 0.02 . 2 . . . . 27 SER HB2 . 6618 1 171 . 1 1 28 28 ALA H H 1 7.705 0.02 . 1 . . . . 28 ALA HN . 6618 1 172 . 1 1 28 28 ALA HA H 1 4.329 0.02 . 1 . . . . 28 ALA HA . 6618 1 173 . 1 1 28 28 ALA HB1 H 1 1.557 0.02 . 1 . . . . 28 ALA HB1 . 6618 1 174 . 1 1 28 28 ALA HB2 H 1 1.557 0.02 . 1 . . . . 28 ALA HB1 . 6618 1 175 . 1 1 28 28 ALA HB3 H 1 1.557 0.02 . 1 . . . . 28 ALA HB1 . 6618 1 176 . 1 1 29 29 VAL H H 1 7.758 0.02 . 1 . . . . 29 VAL HN . 6618 1 177 . 1 1 29 29 VAL HA H 1 4.046 0.02 . 1 . . . . 29 VAL HA . 6618 1 178 . 1 1 29 29 VAL HB H 1 2.232 0.02 . 1 . . . . 29 VAL HB . 6618 1 179 . 1 1 29 29 VAL HG11 H 1 1.002 0.02 . 2 . . . . 29 VAL HG1 . 6618 1 180 . 1 1 29 29 VAL HG12 H 1 1.002 0.02 . 2 . . . . 29 VAL HG1 . 6618 1 181 . 1 1 29 29 VAL HG13 H 1 1.002 0.02 . 2 . . . . 29 VAL HG1 . 6618 1 182 . 1 1 29 29 VAL HG21 H 1 1.060 0.02 . 2 . . . . 29 VAL HG2 . 6618 1 183 . 1 1 29 29 VAL HG22 H 1 1.060 0.02 . 2 . . . . 29 VAL HG2 . 6618 1 184 . 1 1 29 29 VAL HG23 H 1 1.060 0.02 . 2 . . . . 29 VAL HG2 . 6618 1 185 . 1 1 30 30 ALA H H 1 8.051 0.02 . 1 . . . . 30 ALA HN . 6618 1 186 . 1 1 30 30 ALA HA H 1 4.294 0.02 . 1 . . . . 30 ALA HA . 6618 1 187 . 1 1 30 30 ALA HB1 H 1 1.463 0.02 . 1 . . . . 30 ALA HB1 . 6618 1 188 . 1 1 30 30 ALA HB2 H 1 1.463 0.02 . 1 . . . . 30 ALA HB1 . 6618 1 189 . 1 1 30 30 ALA HB3 H 1 1.463 0.02 . 1 . . . . 30 ALA HB1 . 6618 1 190 . 1 1 31 31 LYS H H 1 7.805 0.02 . 1 . . . . 31 LYS HN . 6618 1 191 . 1 1 31 31 LYS HA H 1 4.328 0.02 . 1 . . . . 31 LYS HA . 6618 1 192 . 1 1 31 31 LYS HB2 H 1 1.772 0.02 . 2 . . . . 31 LYS HB1 . 6618 1 193 . 1 1 31 31 LYS HB3 H 1 1.936 0.02 . 2 . . . . 31 LYS HB2 . 6618 1 194 . 1 1 31 31 LYS HG2 H 1 1.583 0.02 . 2 . . . . 31 LYS HG2 . 6618 1 195 . 1 1 31 31 LYS HE2 H 1 3.049 0.02 . 2 . . . . 31 LYS HE1 . 6618 1 196 . 1 1 32 32 VAL H H 1 7.742 0.02 . 1 . . . . 32 VAL HN . 6618 1 197 . 1 1 32 32 VAL HA H 1 4.141 0.02 . 1 . . . . 32 VAL HA . 6618 1 198 . 1 1 32 32 VAL HB H 1 2.160 0.02 . 1 . . . . 32 VAL HB . 6618 1 199 . 1 1 32 32 VAL HG21 H 1 1.008 0.02 . 2 . . . . 32 VAL HG2 . 6618 1 200 . 1 1 32 32 VAL HG22 H 1 1.008 0.02 . 2 . . . . 32 VAL HG2 . 6618 1 201 . 1 1 32 32 VAL HG23 H 1 1.008 0.02 . 2 . . . . 32 VAL HG2 . 6618 1 stop_ save_