################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5271 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5271 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 . 2 1 2 2 ASN N N 15 114.16 0.07 . 1 . . . . . . . . 5271 1 2 . 2 1 2 2 ASN H H 1 7.780 0.013 . 1 . . . . . . . . 5271 1 3 . 2 1 2 2 ASN CA C 13 54.23 0.18 . 1 . . . . . . . . 5271 1 4 . 2 1 2 2 ASN HA H 1 4.195 0.013 . 1 . . . . . . . . 5271 1 5 . 2 1 3 3 GLU N N 15 121.10 0.07 . 1 . . . . . . . . 5271 1 6 . 2 1 3 3 GLU H H 1 8.584 0.013 . 1 . . . . . . . . 5271 1 7 . 2 1 3 3 GLU CA C 13 60.59 0.18 . 1 . . . . . . . . 5271 1 8 . 2 1 3 3 GLU HA H 1 2.942 0.013 . 1 . . . . . . . . 5271 1 9 . 2 1 4 4 GLY N N 15 114.49 0.07 . 1 . . . . . . . . 5271 1 10 . 2 1 4 4 GLY H H 1 8.609 0.013 . 1 . . . . . . . . 5271 1 11 . 2 1 4 4 GLY CA C 13 47.22 0.18 . 1 . . . . . . . . 5271 1 12 . 2 1 4 4 GLY HA2 H 1 3.318 0.013 . 1 . . . . . . . . 5271 1 13 . 2 1 4 4 GLY HA3 H 1 4.130 0.013 . 1 . . . . . . . . 5271 1 14 . 2 1 5 5 ASP N N 15 121.42 0.07 . 1 . . . . . . . . 5271 1 15 . 2 1 5 5 ASP H H 1 7.603 0.013 . 1 . . . . . . . . 5271 1 16 . 2 1 5 5 ASP CA C 13 57.24 0.18 . 1 . . . . . . . . 5271 1 17 . 2 1 5 5 ASP HA H 1 4.180 0.013 . 1 . . . . . . . . 5271 1 18 . 2 1 6 6 VAL N N 15 121.55 0.07 . 1 . . . . . . . . 5271 1 19 . 2 1 6 6 VAL H H 1 8.476 0.013 . 1 . . . . . . . . 5271 1 20 . 2 1 6 6 VAL CA C 13 63.32 0.18 . 1 . . . . . . . . 5271 1 21 . 2 1 6 6 VAL HA H 1 4.672 0.013 . 1 . . . . . . . . 5271 1 22 . 2 1 7 7 TYR N N 15 125.77 0.07 . 1 . . . . . . . . 5271 1 23 . 2 1 7 7 TYR H H 1 8.765 0.013 . 1 . . . . . . . . 5271 1 24 . 2 1 7 7 TYR CA C 13 59.28 0.18 . 1 . . . . . . . . 5271 1 25 . 2 1 7 7 TYR HA H 1 4.726 0.013 . 1 . . . . . . . . 5271 1 26 . 2 1 8 8 LYS N N 15 121.40 0.07 . 1 . . . . . . . . 5271 1 27 . 2 1 8 8 LYS H H 1 8.795 0.013 . 1 . . . . . . . . 5271 1 28 . 2 1 8 8 LYS CA C 13 56.05 0.18 . 1 . . . . . . . . 5271 1 29 . 2 1 8 8 LYS HA H 1 5.309 0.013 . 1 . . . . . . . . 5271 1 30 . 2 1 9 9 CYS N N 15 129.40 0.07 . 1 . . . . . . . . 5271 1 31 . 2 1 9 9 CYS H H 1 9.226 0.013 . 1 . . . . . . . . 5271 1 32 . 2 1 9 9 CYS CA C 13 59.80 0.18 . 1 . . . . . . . . 5271 1 33 . 2 1 9 9 CYS HA H 1 4.785 0.013 . 1 . . . . . . . . 5271 1 34 . 2 1 10 10 GLU N N 15 129.07 0.07 . 1 . . . . . . . . 5271 1 35 . 2 1 10 10 GLU H H 1 9.425 0.013 . 1 . . . . . . . . 5271 1 36 . 2 1 10 10 GLU CA C 13 60.32 0.18 . 1 . . . . . . . . 5271 1 37 . 2 1 10 10 GLU HA H 1 4.062 0.013 . 1 . . . . . . . . 5271 1 38 . 2 1 11 11 LEU N N 15 122.82 0.07 . 1 . . . . . . . . 5271 1 39 . 2 1 11 11 LEU H H 1 8.978 0.013 . 1 . . . . . . . . 5271 1 40 . 2 1 11 11 LEU CA C 13 60.57 0.18 . 1 . . . . . . . . 5271 1 41 . 2 1 11 11 LEU HA H 1 4.365 0.013 . 1 . . . . . . . . 5271 1 42 . 2 1 12 12 CYS N N 15 120.29 0.07 . 1 . . . . . . . . 5271 1 43 . 2 1 12 12 CYS H H 1 9.164 0.013 . 1 . . . . . . . . 5271 1 44 . 2 1 12 12 CYS CA C 13 61.38 0.18 . 1 . . . . . . . . 5271 1 45 . 2 1 12 12 CYS HA H 1 4.852 0.013 . 1 . . . . . . . . 5271 1 46 . 2 1 13 13 GLY N N 15 113.14 0.07 . 1 . . . . . . . . 5271 1 47 . 2 1 13 13 GLY H H 1 7.596 0.013 . 1 . . . . . . . . 5271 1 48 . 2 1 13 13 GLY CA C 13 48.06 0.18 . 1 . . . . . . . . 5271 1 49 . 2 1 13 13 GLY HA2 H 1 4.101 0.013 . 1 . . . . . . . . 5271 1 50 . 2 1 13 13 GLY HA3 H 1 3.558 0.013 . 1 . . . . . . . . 5271 1 51 . 2 1 14 14 GLN N N 15 123.54 0.07 . 1 . . . . . . . . 5271 1 52 . 2 1 14 14 GLN H H 1 8.458 0.013 . 1 . . . . . . . . 5271 1 53 . 2 1 14 14 GLN CA C 13 60.48 0.18 . 1 . . . . . . . . 5271 1 54 . 2 1 14 14 GLN HA H 1 3.867 0.013 . 1 . . . . . . . . 5271 1 55 . 2 1 15 15 VAL N N 15 123.56 0.07 . 1 . . . . . . . . 5271 1 56 . 2 1 15 15 VAL H H 1 8.377 0.013 . 1 . . . . . . . . 5271 1 57 . 2 1 15 15 VAL CA C 13 63.15 0.18 . 1 . . . . . . . . 5271 1 58 . 2 1 15 15 VAL HA H 1 4.973 0.013 . 1 . . . . . . . . 5271 1 59 . 2 1 16 16 VAL N N 15 118.18 0.07 . 1 . . . . . . . . 5271 1 60 . 2 1 16 16 VAL H H 1 9.201 0.013 . 1 . . . . . . . . 5271 1 61 . 2 1 16 16 VAL CA C 13 59.79 0.18 . 1 . . . . . . . . 5271 1 62 . 2 1 16 16 VAL HA H 1 5.240 0.013 . 1 . . . . . . . . 5271 1 63 . 2 1 17 17 LYS N N 15 120.75 0.07 . 1 . . . . . . . . 5271 1 64 . 2 1 17 17 LYS H H 1 8.781 0.013 . 1 . . . . . . . . 5271 1 65 . 2 1 17 17 LYS CA C 13 55.43 0.18 . 1 . . . . . . . . 5271 1 66 . 2 1 17 17 LYS HA H 1 5.072 0.013 . 1 . . . . . . . . 5271 1 67 . 2 1 18 18 VAL N N 15 125.71 0.07 . 1 . . . . . . . . 5271 1 68 . 2 1 18 18 VAL H H 1 8.589 0.013 . 1 . . . . . . . . 5271 1 69 . 2 1 18 18 VAL CA C 13 65.63 0.18 . 1 . . . . . . . . 5271 1 70 . 2 1 18 18 VAL HA H 1 3.261 0.013 . 1 . . . . . . . . 5271 1 71 . 2 1 19 19 LEU N N 15 130.71 0.07 . 1 . . . . . . . . 5271 1 72 . 2 1 19 19 LEU H H 1 8.855 0.013 . 1 . . . . . . . . 5271 1 73 . 2 1 19 19 LEU CA C 13 57.79 0.18 . 1 . . . . . . . . 5271 1 74 . 2 1 19 19 LEU HA H 1 4.141 0.013 . 1 . . . . . . . . 5271 1 75 . 2 1 20 20 GLU N N 15 116.00 0.07 . 1 . . . . . . . . 5271 1 76 . 2 1 20 20 GLU H H 1 7.053 0.013 . 1 . . . . . . . . 5271 1 77 . 2 1 20 20 GLU CA C 13 56.96 0.18 . 1 . . . . . . . . 5271 1 78 . 2 1 20 20 GLU HA H 1 4.335 0.013 . 1 . . . . . . . . 5271 1 79 . 2 1 21 21 GLU N N 15 123.07 0.07 . 1 . . . . . . . . 5271 1 80 . 2 1 21 21 GLU H H 1 8.289 0.013 . 1 . . . . . . . . 5271 1 81 . 2 1 26 26 LEU N N 15 127.40 0.07 . 1 . . . . . . . . 5271 1 82 . 2 1 26 26 LEU H H 1 8.975 0.013 . 1 . . . . . . . . 5271 1 83 . 2 1 27 27 VAL CA C 13 64.27 0.18 . 1 . . . . . . . . 5271 1 84 . 2 1 27 27 VAL HA H 1 4.940 0.013 . 1 . . . . . . . . 5271 1 85 . 2 1 28 28 CYS N N 15 127.36 0.07 . 1 . . . . . . . . 5271 1 86 . 2 1 28 28 CYS H H 1 8.623 0.013 . 1 . . . . . . . . 5271 1 87 . 2 1 28 28 CYS CA C 13 63.15 0.18 . 1 . . . . . . . . 5271 1 88 . 2 1 28 28 CYS HA H 1 4.489 0.013 . 1 . . . . . . . . 5271 1 89 . 2 1 29 29 CYS N N 15 123.99 0.07 . 1 . . . . . . . . 5271 1 90 . 2 1 29 29 CYS H H 1 7.291 0.013 . 1 . . . . . . . . 5271 1 91 . 2 1 29 29 CYS CA C 13 65.79 0.18 . 1 . . . . . . . . 5271 1 92 . 2 1 29 29 CYS HA H 1 3.975 0.013 . 1 . . . . . . . . 5271 1 93 . 2 1 30 30 GLY N N 15 101.72 0.07 . 1 . . . . . . . . 5271 1 94 . 2 1 30 30 GLY H H 1 8.378 0.013 . 1 . . . . . . . . 5271 1 95 . 2 1 30 30 GLY CA C 13 45.59 0.18 . 1 . . . . . . . . 5271 1 96 . 2 1 30 30 GLY HA2 H 1 3.865 0.013 . 1 . . . . . . . . 5271 1 97 . 2 1 31 31 GLU N N 15 121.53 0.07 . 1 . . . . . . . . 5271 1 98 . 2 1 31 31 GLU H H 1 8.266 0.013 . 1 . . . . . . . . 5271 1 99 . 2 1 31 31 GLU CA C 13 56.47 0.18 . 1 . . . . . . . . 5271 1 100 . 2 1 31 31 GLU HA H 1 4.993 0.013 . 1 . . . . . . . . 5271 1 101 . 2 1 32 32 ASP N N 15 127.25 0.07 . 1 . . . . . . . . 5271 1 102 . 2 1 32 32 ASP H H 1 9.161 0.013 . 1 . . . . . . . . 5271 1 103 . 2 1 32 32 ASP CA C 13 58.16 0.18 . 1 . . . . . . . . 5271 1 104 . 2 1 32 32 ASP HA H 1 5.071 0.013 . 1 . . . . . . . . 5271 1 105 . 2 1 33 33 MET N N 15 122.28 0.07 . 1 . . . . . . . . 5271 1 106 . 2 1 33 33 MET H H 1 8.765 0.013 . 1 . . . . . . . . 5271 1 107 . 2 1 33 33 MET CA C 13 59.54 0.013 . 1 . . . . . . . . 5271 1 108 . 2 1 33 33 MET HA H 1 4.579 0.013 . 1 . . . . . . . . 5271 1 109 . 2 1 34 34 VAL N N 15 123.10 0.07 . 1 . . . . . . . . 5271 1 110 . 2 1 34 34 VAL H H 1 9.305 0.013 . 1 . . . . . . . . 5271 1 111 . 2 1 34 34 VAL CA C 13 64.77 0.18 . 1 . . . . . . . . 5271 1 112 . 2 1 34 34 VAL HA H 1 4.196 0.013 . 1 . . . . . . . . 5271 1 113 . 2 1 35 35 LYS N N 15 134.17 0.07 . 1 . . . . . . . . 5271 1 114 . 2 1 35 35 LYS H H 1 8.814 0.013 . 1 . . . . . . . . 5271 1 115 . 2 1 35 35 LYS CA C 13 59.71 0.18 . 1 . . . . . . . . 5271 1 116 . 2 1 35 35 LYS HA H 1 3.152 0.013 . 1 . . . . . . . . 5271 1 117 . 2 1 36 36 GLN N N 15 132.04 0.07 . 1 . . . . . . . . 5271 1 118 . 2 1 36 36 GLN H H 1 8.591 0.013 . 1 . . . . . . . . 5271 1 119 . 2 1 36 36 GLN CA C 13 57.90 0.18 . 1 . . . . . . . . 5271 1 120 . 2 1 36 36 GLN HA H 1 3.873 0.013 . 1 . . . . . . . . 5271 1 stop_ save_ ################################### # 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_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 5271 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5271 2 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 ALA CA C 13 52.89 0.18 . 1 . . . . . . . . 5271 2 2 . 1 1 1 1 ALA HA H 1 3.264 0.013 . 1 . . . . . . . . 5271 2 3 . 1 1 2 2 ASN N N 15 114.73 0.07 . 1 . . . . . . . . 5271 2 4 . 1 1 2 2 ASN H H 1 8.307 0.013 . 1 . . . . . . . . 5271 2 5 . 1 1 2 2 ASN CA C 13 54.73 0.18 . 1 . . . . . . . . 5271 2 6 . 1 1 2 2 ASN HA H 1 4.723 0.013 . 1 . . . . . . . . 5271 2 7 . 1 1 3 3 GLU N N 15 121.45 0.07 . 1 . . . . . . . . 5271 2 8 . 1 1 3 3 GLU H H 1 8.960 0.013 . 1 . . . . . . . . 5271 2 9 . 1 1 3 3 GLU CA C 13 60.93 0.18 . 1 . . . . . . . . 5271 2 10 . 1 1 3 3 GLU HA H 1 3.333 0.013 . 1 . . . . . . . . 5271 2 11 . 1 1 4 4 GLY N N 15 114.77 0.07 . 1 . . . . . . . . 5271 2 12 . 1 1 4 4 GLY H H 1 8.889 0.013 . 1 . . . . . . . . 5271 2 13 . 1 1 4 4 GLY CA C 13 47.09 0.18 . 1 . . . . . . . . 5271 2 14 . 1 1 4 4 GLY HA2 H 1 3.159 0.013 . 1 . . . . . . . . 5271 2 15 . 1 1 4 4 GLY HA3 H 1 4.143 0.013 . 1 . . . . . . . . 5271 2 16 . 1 1 5 5 ASP N N 15 121.70 0.07 . 1 . . . . . . . . 5271 2 17 . 1 1 5 5 ASP H H 1 7.924 0.013 . 1 . . . . . . . . 5271 2 18 . 1 1 5 5 ASP CA C 13 57.57 0.18 . 1 . . . . . . . . 5271 2 19 . 1 1 5 5 ASP HA H 1 4.406 0.013 . 1 . . . . . . . . 5271 2 20 . 1 1 6 6 VAL N N 15 121.75 0.07 . 1 . . . . . . . . 5271 2 21 . 1 1 6 6 VAL H H 1 8.652 0.013 . 1 . . . . . . . . 5271 2 22 . 1 1 6 6 VAL CA C 13 63.45 0.18 . 1 . . . . . . . . 5271 2 23 . 1 1 6 6 VAL HA H 1 4.778 0.013 . 1 . . . . . . . . 5271 2 24 . 1 1 7 7 TYR N N 15 125.90 0.07 . 1 . . . . . . . . 5271 2 25 . 1 1 7 7 TYR H H 1 8.817 0.013 . 1 . . . . . . . . 5271 2 26 . 1 1 7 7 TYR CA C 13 59.50 0.18 . 1 . . . . . . . . 5271 2 27 . 1 1 7 7 TYR HA H 1 4.882 0.013 . 1 . . . . . . . . 5271 2 28 . 1 1 16 16 VAL N N 15 117.72 0.07 . 1 . . . . . . . . 5271 2 29 . 1 1 16 16 VAL H H 1 8.880 0.013 . 1 . . . . . . . . 5271 2 30 . 1 1 17 17 LYS N N 15 120.73 0.07 . 1 . . . . . . . . 5271 2 31 . 1 1 17 17 LYS H H 1 8.719 0.013 . 1 . . . . . . . . 5271 2 32 . 1 1 17 17 LYS CA C 13 55.52 0.18 . 1 . . . . . . . . 5271 2 33 . 1 1 17 17 LYS HA H 1 5.179 0.013 . 1 . . . . . . . . 5271 2 34 . 1 1 18 18 VAL N N 15 126.07 0.07 . 1 . . . . . . . . 5271 2 35 . 1 1 18 18 VAL H H 1 8.898 0.013 . 1 . . . . . . . . 5271 2 36 . 1 1 18 18 VAL CA C 13 66.14 0.18 . 1 . . . . . . . . 5271 2 37 . 1 1 18 18 VAL HA H 1 3.816 0.013 . 1 . . . . . . . . 5271 2 38 . 1 1 19 19 LEU N N 15 131.03 0.07 . 1 . . . . . . . . 5271 2 39 . 1 1 19 19 LEU H H 1 9.263 0.013 . 1 . . . . . . . . 5271 2 40 . 1 1 19 19 LEU CA C 13 57.97 0.18 . 1 . . . . . . . . 5271 2 41 . 1 1 19 19 LEU HA H 1 4.326 0.013 . 1 . . . . . . . . 5271 2 42 . 1 1 20 20 GLU N N 15 116.32 0.07 . 1 . . . . . . . . 5271 2 43 . 1 1 20 20 GLU H H 1 7.493 0.013 . 1 . . . . . . . . 5271 2 44 . 1 1 20 20 GLU CA C 13 57.21 0.18 . 1 . . . . . . . . 5271 2 45 . 1 1 20 20 GLU HA H 1 4.551 0.013 . 1 . . . . . . . . 5271 2 46 . 1 1 21 21 GLU N N 15 122.99 0.07 . 1 . . . . . . . . 5271 2 47 . 1 1 21 21 GLU H H 1 8.660 0.013 . 1 . . . . . . . . 5271 2 48 . 1 1 21 21 GLU CA C 13 58.65 0.18 . 1 . . . . . . . . 5271 2 49 . 1 1 21 21 GLU HA H 1 4.061 0.013 . 1 . . . . . . . . 5271 2 50 . 1 1 22 22 GLY N N 15 106.53 0.07 . 1 . . . . . . . . 5271 2 51 . 1 1 22 22 GLY H H 1 7.184 0.013 . 1 . . . . . . . . 5271 2 52 . 1 1 22 22 GLY CA C 13 47.44 0.18 . 1 . . . . . . . . 5271 2 53 . 1 1 22 22 GLY HA2 H 1 3.896 0.013 . 1 . . . . . . . . 5271 2 54 . 1 1 23 23 GLY N N 15 102.84 0.07 . 1 . . . . . . . . 5271 2 55 . 1 1 23 23 GLY H H 1 7.905 0.013 . 1 . . . . . . . . 5271 2 56 . 1 1 24 24 GLY N N 15 112.58 0.07 . 1 . . . . . . . . 5271 2 57 . 1 1 24 24 GLY H H 1 8.520 0.013 . 1 . . . . . . . . 5271 2 58 . 1 1 24 24 GLY CA C 13 49.11 0.18 . 1 . . . . . . . . 5271 2 59 . 1 1 24 24 GLY HA2 H 1 4.759 0.013 . 1 . . . . . . . . 5271 2 60 . 1 1 25 25 THR N N 15 120.05 0.07 . 1 . . . . . . . . 5271 2 61 . 1 1 25 25 THR H H 1 8.847 0.013 . 1 . . . . . . . . 5271 2 62 . 1 1 25 25 THR CA C 13 64.36 0.18 . 1 . . . . . . . . 5271 2 63 . 1 1 25 25 THR HA H 1 4.051 0.013 . 1 . . . . . . . . 5271 2 64 . 1 1 26 26 LEU N N 15 126.98 0.07 . 1 . . . . . . . . 5271 2 65 . 1 1 26 26 LEU H H 1 7.968 0.013 . 1 . . . . . . . . 5271 2 66 . 1 1 26 26 LEU CA C 13 57.36 0.18 . 1 . . . . . . . . 5271 2 67 . 1 1 26 26 LEU HA H 1 4.438 0.013 . 1 . . . . . . . . 5271 2 68 . 1 1 32 32 ASP N N 15 126.47 0.18 . 1 . . . . . . . . 5271 2 69 . 1 1 32 32 ASP H H 1 8.177 0.013 . 1 . . . . . . . . 5271 2 70 . 1 1 34 34 VAL CA C 13 64.74 0.18 . 1 . . . . . . . . 5271 2 71 . 1 1 34 34 VAL HA H 1 4.046 0.013 . 1 . . . . . . . . 5271 2 72 . 1 1 35 35 LYS N N 15 134.18 0.07 . 1 . . . . . . . . 5271 2 73 . 1 1 35 35 LYS H H 1 8.788 0.013 . 1 . . . . . . . . 5271 2 74 . 1 1 35 35 LYS CA C 13 59.78 0.18 . 1 . . . . . . . . 5271 2 75 . 1 1 35 35 LYS HA H 1 3.221 0.013 . 1 . . . . . . . . 5271 2 76 . 1 1 36 36 GLN N N 15 132.04 0.07 . 1 . . . . . . . . 5271 2 77 . 1 1 36 36 GLN H H 1 8.591 0.013 . 1 . . . . . . . . 5271 2 78 . 1 1 36 36 GLN CA C 13 58.12 0.18 . 1 . . . . . . . . 5271 2 79 . 1 1 36 36 GLN HA H 1 4.039 0.013 . 1 . . . . . . . . 5271 2 stop_ save_