################################### # 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_E2plip-chemical-shift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode E2plip-chemical-shift _Assigned_chem_shift_list.Entry_ID 15508 _Assigned_chem_shift_list.ID 1 _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 1 '2D 1H-15N HSQC' . . . 15508 1 4 '2D 1H-1H NOESY' . . . 15508 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 VAL H H 1 8.65 . . 1 . . . . 2 VAL HN . 15508 1 2 . 1 1 1 1 VAL HA H 1 5.75 . . 1 . . . . 2 VAL HA . 15508 1 3 . 1 1 1 1 VAL HB H 1 1.98 . . 1 . . . . 2 VAL HB . 15508 1 4 . 1 1 1 1 VAL N N 15 120.2 . . 1 . . . . 2 VAL NN . 15508 1 5 . 1 1 2 2 LYS H H 1 9.12 . . 1 . . . . 3 LYS HN . 15508 1 6 . 1 1 2 2 LYS HA H 1 4.61 . . 1 . . . . 3 LYS HA . 15508 1 7 . 1 1 2 2 LYS HB2 H 1 1.42 . . 1 . . . . 3 LYS QB . 15508 1 8 . 1 1 2 2 LYS HB3 H 1 1.42 . . 1 . . . . 3 LYS QB . 15508 1 9 . 1 1 2 2 LYS N N 15 122.1 . . 1 . . . . 3 LYS NN . 15508 1 10 . 1 1 3 3 GLU H H 1 8.76 . . 1 . . . . 4 GLU HN . 15508 1 11 . 1 1 3 3 GLU HA H 1 4.14 . . 1 . . . . 4 GLU HA . 15508 1 12 . 1 1 3 3 GLU HB2 H 1 1.89 . . 1 . . . . 4 GLU HB2 . 15508 1 13 . 1 1 3 3 GLU HB3 H 1 2.12 . . 1 . . . . 4 GLU HB3 . 15508 1 14 . 1 1 3 3 GLU N N 15 122.7 . . 1 . . . . 4 GLU NN . 15508 1 15 . 1 1 4 4 VAL H H 1 8.21 . . 1 . . . . 5 VAL HN . 15508 1 16 . 1 1 4 4 VAL HA H 1 3.97 . . 1 . . . . 5 VAL HA . 15508 1 17 . 1 1 4 4 VAL HB H 1 1.37 . . 1 . . . . 5 VAL HB . 15508 1 18 . 1 1 4 4 VAL N N 15 119.5 . . 1 . . . . 5 VAL NN . 15508 1 19 . 1 1 5 5 ASN H H 1 8.65 . . 1 . . . . 6 ASN HN . 15508 1 20 . 1 1 5 5 ASN HA H 1 5.65 . . 1 . . . . 6 ASN HA . 15508 1 21 . 1 1 5 5 ASN HB2 H 1 2.16 . . 1 . . . . 6 ASN HB2 . 15508 1 22 . 1 1 5 5 ASN HB3 H 1 2.29 . . 1 . . . . 6 ASN HB3 . 15508 1 23 . 1 1 5 5 ASN N N 15 124.6 . . 1 . . . . 6 ASN NN . 15508 1 24 . 1 1 6 6 VAL H H 1 8.82 . . 1 . . . . 7 VAL HN . 15508 1 25 . 1 1 6 6 VAL HA H 1 3.78 . . 1 . . . . 7 VAL HA . 15508 1 26 . 1 1 6 6 VAL HB H 1 2.38 . . 1 . . . . 7 VAL HB . 15508 1 27 . 1 1 6 6 VAL N N 15 121.6 . . 1 . . . . 7 VAL NN . 15508 1 28 . 1 1 8 8 ASP H H 1 8.01 . . 1 . . . . 9 ASP HN . 15508 1 29 . 1 1 8 8 ASP HA H 1 4.8 . . 1 . . . . 9 ASP HA . 15508 1 30 . 1 1 8 8 ASP HB2 H 1 2.55 . . 1 . . . . 9 ASP HB2 . 15508 1 31 . 1 1 8 8 ASP HB3 H 1 2.85 . . 1 . . . . 9 ASP HB3 . 15508 1 32 . 1 1 8 8 ASP N N 15 110.5 . . 1 . . . . 9 ASP NN . 15508 1 33 . 1 1 9 9 ILE H H 1 8.29 . . 1 . . . . 10 ILE HN . 15508 1 34 . 1 1 9 9 ILE HA H 1 4.46 . . 1 . . . . 10 ILE HA . 15508 1 35 . 1 1 9 9 ILE HB H 1 2.47 . . 1 . . . . 10 ILE HB . 15508 1 36 . 1 1 9 9 ILE N N 15 123.9 . . 1 . . . . 10 ILE NN . 15508 1 37 . 1 1 10 10 GLY H H 1 8.52 . . 1 . . . . 11 GLY HN . 15508 1 38 . 1 1 10 10 GLY HA2 H 1 3.81 . . 1 . . . . 11 GLY HA1 . 15508 1 39 . 1 1 10 10 GLY HA3 H 1 4.39 . . 1 . . . . 11 GLY HA2 . 15508 1 40 . 1 1 10 10 GLY N N 15 129.1 . . 1 . . . . 11 GLY N . 15508 1 41 . 1 1 11 11 GLY H H 1 8.67 . . 1 . . . . 12 GLY HN . 15508 1 42 . 1 1 11 11 GLY HA2 H 1 3.75 . . 1 . . . . 12 GLY HA1 . 15508 1 43 . 1 1 11 11 GLY HA3 H 1 4.25 . . 1 . . . . 12 GLY HA2 . 15508 1 44 . 1 1 11 11 GLY N N 15 126 . . 1 . . . . 12 GLY NN . 15508 1 45 . 1 1 12 12 ASP H H 1 7.86 . . 1 . . . . 13 ASP HN . 15508 1 46 . 1 1 12 12 ASP HA H 1 4.85 . . 1 . . . . 13 ASP HA . 15508 1 47 . 1 1 12 12 ASP HB2 H 1 2.57 . . 1 . . . . 13 ASP HB2 . 15508 1 48 . 1 1 12 12 ASP HB3 H 1 2.72 . . 1 . . . . 13 ASP HB3 . 15508 1 49 . 1 1 12 12 ASP N N 15 118.1 . . 1 . . . . 13 ASP NN . 15508 1 50 . 1 1 13 13 GLU H H 1 8.6 . . 1 . . . . 14 GLU HN . 15508 1 51 . 1 1 13 13 GLU HA H 1 4.74 . . 1 . . . . 14 GLU HA . 15508 1 52 . 1 1 13 13 GLU HB2 H 1 1.91 . . 1 . . . . 14 GLU QB . 15508 1 53 . 1 1 13 13 GLU HB3 H 1 1.91 . . 1 . . . . 14 GLU QB . 15508 1 54 . 1 1 13 13 GLU N N 15 120.2 . . 1 . . . . 14 GLU NN . 15508 1 55 . 1 1 14 14 VAL H H 1 8.88 . . 1 . . . . 15 VAL HN . 15508 1 56 . 1 1 14 14 VAL HA H 1 4.73 . . 1 . . . . 15 VAL HA . 15508 1 57 . 1 1 14 14 VAL HB H 1 1.88 . . 1 . . . . 15 VAL HB . 15508 1 58 . 1 1 14 14 VAL N N 15 114.69 . . 1 . . . . 15 VAL NN . 15508 1 59 . 1 1 15 15 GLU H H 1 8.31 . . 1 . . . . 16 GLU HN . 15508 1 60 . 1 1 15 15 GLU HA H 1 5.06 . . 1 . . . . 16 GLU HA . 15508 1 61 . 1 1 15 15 GLU HB2 H 1 1.79 . . 1 . . . . 16 GLU HB2 . 15508 1 62 . 1 1 15 15 GLU HB3 H 1 1.85 . . 1 . . . . 16 GLU HB3 . 15508 1 63 . 1 1 15 15 GLU N N 15 119.05 . . 1 . . . . 16 GLU NN . 15508 1 64 . 1 1 16 16 VAL H H 1 9.13 . . 1 . . . . 17 VAL HN . 15508 1 65 . 1 1 16 16 VAL HA H 1 4.31 . . 1 . . . . 17 VAL HA . 15508 1 66 . 1 1 16 16 VAL HB H 1 2.36 . . 1 . . . . 17 VAL HB . 15508 1 67 . 1 1 16 16 VAL N N 15 123.88 . . 1 . . . . 17 VAL NN . 15508 1 68 . 1 1 17 17 THR H H 1 9.21 . . 1 . . . . 18 THR HN . 15508 1 69 . 1 1 17 17 THR HA H 1 4.59 . . 1 . . . . 18 THR HA . 15508 1 70 . 1 1 17 17 THR HB H 1 4.27 . . 1 . . . . 18 THR HB . 15508 1 71 . 1 1 17 17 THR N N 15 120.27 . . 1 . . . . 18 THR NN . 15508 1 72 . 1 1 18 18 GLU H H 1 7.53 . . 1 . . . . 19 GLU HN . 15508 1 73 . 1 1 18 18 GLU HA H 1 4.41 . . 1 . . . . 19 GLU HA . 15508 1 74 . 1 1 18 18 GLU HB2 H 1 1.87 . . 1 . . . . 19 GLU HB2 . 15508 1 75 . 1 1 18 18 GLU HB3 H 1 2 . . 1 . . . . 19 GLU HB3 . 15508 1 76 . 1 1 18 18 GLU N N 15 118.63 . . 1 . . . . 19 GLU NN . 15508 1 77 . 1 1 19 19 VAL H H 1 9.04 . . 1 . . . . 20 VAL HN . 15508 1 78 . 1 1 19 19 VAL HA H 1 4.41 . . 1 . . . . 20 VAL HA . 15508 1 79 . 1 1 19 19 VAL HB H 1 2.18 . . 1 . . . . 20 VAL HB . 15508 1 80 . 1 1 19 19 VAL N N 15 125.14 . . 1 . . . . 20 VAL NN . 15508 1 81 . 1 1 20 20 MET H H 1 8.4 . . 1 . . . . 21 MET HN . 15508 1 82 . 1 1 20 20 MET HA H 1 4.46 . . 1 . . . . 21 MET HA . 15508 1 83 . 1 1 20 20 MET HB2 H 1 1.66 . . 1 . . . . 21 MET HB2 . 15508 1 84 . 1 1 20 20 MET HB3 H 1 1.7 . . 1 . . . . 21 MET HB3 . 15508 1 85 . 1 1 20 20 MET N N 15 122.7 . . 1 . . . . 21 MET NN . 15508 1 86 . 1 1 21 21 VAL H H 1 7.04 . . 1 . . . . 22 VAL HN . 15508 1 87 . 1 1 21 21 VAL HA H 1 4.68 . . 1 . . . . 22 VAL HA . 15508 1 88 . 1 1 21 21 VAL HB H 1 2.17 . . 1 . . . . 22 VAL HB . 15508 1 89 . 1 1 21 21 VAL N N 15 125.96 . . 1 . . . . 22 VAL NN . 15508 1 90 . 1 1 22 22 LYS H H 1 8.65 . . 1 . . . . 23 LYS HN . 15508 1 91 . 1 1 22 22 LYS HA H 1 4.64 . . 1 . . . . 23 LYS HA . 15508 1 92 . 1 1 22 22 LYS HB2 H 1 1.72 . . 1 . . . . 23 LYS QB . 15508 1 93 . 1 1 22 22 LYS HB3 H 1 1.72 . . 1 . . . . 23 LYS QB . 15508 1 94 . 1 1 22 22 LYS N N 15 117.24 . . 1 . . . . 23 LYS NN . 15508 1 95 . 1 1 23 23 VAL H H 1 8.41 . . 1 . . . . 24 VAL HN . 15508 1 96 . 1 1 23 23 VAL HA H 1 3.22 . . 1 . . . . 24 VAL HA . 15508 1 97 . 1 1 23 23 VAL HB H 1 1.89 . . 1 . . . . 24 VAL HB . 15508 1 98 . 1 1 23 23 VAL N N 15 117.99 . . 1 . . . . 24 VAL NN . 15508 1 99 . 1 1 24 24 GLY H H 1 9.19 . . 1 . . . . 25 GLY HN . 15508 1 100 . 1 1 24 24 GLY HA2 H 1 3.46 . . 1 . . . . 25 GLY HA1 . 15508 1 101 . 1 1 24 24 GLY HA3 H 1 4.43 . . 1 . . . . 25 GLY HA2 . 15508 1 102 . 1 1 24 24 GLY N N 15 114.64 . . 1 . . . . 25 GLY NN . 15508 1 103 . 1 1 25 25 ASP H H 1 8.06 . . 1 . . . . 26 ASP HN . 15508 1 104 . 1 1 25 25 ASP HA H 1 4.5 . . 1 . . . . 26 ASP HA . 15508 1 105 . 1 1 25 25 ASP HB2 H 1 2.43 . . 1 . . . . 26 ASP HB2 . 15508 1 106 . 1 1 25 25 ASP HB3 H 1 2.81 . . 1 . . . . 26 ASP HB3 . 15508 1 107 . 1 1 25 25 ASP N N 15 120.18 . . 1 . . . . 26 ASP NN . 15508 1 108 . 1 1 26 26 LYS H H 1 8.51 . . 1 . . . . 27 LYS HN . 15508 1 109 . 1 1 26 26 LYS HA H 1 4.49 . . 1 . . . . 27 LYS HA . 15508 1 110 . 1 1 26 26 LYS HB2 H 1 1.93 . . 1 . . . . 27 LYS QB . 15508 1 111 . 1 1 26 26 LYS HB3 H 1 1.93 . . 1 . . . . 27 LYS QB . 15508 1 112 . 1 1 26 26 LYS N N 15 120.54 . . 1 . . . . 27 LYS NN . 15508 1 113 . 1 1 27 27 VAL H H 1 8.96 . . 1 . . . . 28 VAL HN . 15508 1 114 . 1 1 27 27 VAL HA H 1 4.37 . . 1 . . . . 28 VAL HA . 15508 1 115 . 1 1 27 27 VAL HB H 1 1.59 . . 1 . . . . 28 VAL HB . 15508 1 116 . 1 1 27 27 VAL N N 15 124.82 . . 1 . . . . 28 VAL NN . 15508 1 117 . 1 1 28 28 ALA H H 1 8.2 . . 1 . . . . 29 ALA HN . 15508 1 118 . 1 1 28 28 ALA HA H 1 4.6 . . 1 . . . . 29 ALA HA . 15508 1 119 . 1 1 28 28 ALA HB1 H 1 1.42 . . 1 . . . . 29 ALA QB . 15508 1 120 . 1 1 28 28 ALA HB2 H 1 1.42 . . 1 . . . . 29 ALA QB . 15508 1 121 . 1 1 28 28 ALA HB3 H 1 1.42 . . 1 . . . . 29 ALA QB . 15508 1 122 . 1 1 28 28 ALA N N 15 128.22 . . 1 . . . . 29 ALA NN . 15508 1 123 . 1 1 29 29 ALA H H 1 8.52 . . 1 . . . . 30 ALA HN . 15508 1 124 . 1 1 29 29 ALA HA H 1 3.45 . . 1 . . . . 30 ALA HA . 15508 1 125 . 1 1 29 29 ALA HB1 H 1 1.36 . . 1 . . . . 30 ALA QB . 15508 1 126 . 1 1 29 29 ALA HB2 H 1 1.36 . . 1 . . . . 30 ALA QB . 15508 1 127 . 1 1 29 29 ALA HB3 H 1 1.36 . . 1 . . . . 30 ALA QB . 15508 1 128 . 1 1 29 29 ALA N N 15 120.12 . . 1 . . . . 30 ALA NN . 15508 1 129 . 1 1 30 30 GLU H H 1 8.77 . . 1 . . . . 31 GLU HN . 15508 1 130 . 1 1 30 30 GLU HA H 1 3.77 . . 1 . . . . 31 GLU HA . 15508 1 131 . 1 1 30 30 GLU HB2 H 1 2.4 . . 1 . . . . 31 GLU QB . 15508 1 132 . 1 1 30 30 GLU HB3 H 1 2.4 . . 1 . . . . 31 GLU QB . 15508 1 133 . 1 1 30 30 GLU N N 15 112.27 . . 1 . . . . 31 GLU NN . 15508 1 134 . 1 1 31 31 GLN H H 1 7.87 . . 1 . . . . 32 GLN HN . 15508 1 135 . 1 1 31 31 GLN HA H 1 4.17 . . 1 . . . . 32 GLN HA . 15508 1 136 . 1 1 31 31 GLN HB2 H 1 2.02 . . 1 . . . . 32 GLN HB2 . 15508 1 137 . 1 1 31 31 GLN HB3 H 1 2.21 . . 1 . . . . 32 GLN HB3 . 15508 1 138 . 1 1 31 31 GLN N N 15 121.83 . . 1 . . . . 32 GLN NN . 15508 1 139 . 1 1 32 32 SER H H 1 8.96 . . 1 . . . . 33 SER HN . 15508 1 140 . 1 1 32 32 SER HA H 1 4.2 . . 1 . . . . 33 SER HA . 15508 1 141 . 1 1 32 32 SER HB2 H 1 3.75 . . 1 . . . . 33 SER HB2 . 15508 1 142 . 1 1 32 32 SER HB3 H 1 3.67 . . 1 . . . . 33 SER HB3 . 15508 1 143 . 1 1 32 32 SER N N 15 121.67 . . 1 . . . . 33 SER NN . 15508 1 144 . 1 1 33 33 LEU H H 1 9.05 . . 1 . . . . 34 LEU HN . 15508 1 145 . 1 1 33 33 LEU HA H 1 4.56 . . 1 . . . . 34 LEU HA . 15508 1 146 . 1 1 33 33 LEU HB2 H 1 1.31 . . 1 . . . . 34 LEU HB2 . 15508 1 147 . 1 1 33 33 LEU HB3 H 1 1.77 . . 1 . . . . 34 LEU HB3 . 15508 1 148 . 1 1 33 33 LEU N N 15 119.78 . . 1 . . . . 34 LEU NN . 15508 1 149 . 1 1 34 34 ILE H H 1 6.95 . . 1 . . . . 35 ILE HN . 15508 1 150 . 1 1 34 34 ILE HA H 1 5.07 . . 1 . . . . 35 ILE HA . 15508 1 151 . 1 1 34 34 ILE HB H 1 2.27 . . 1 . . . . 35 ILE HB . 15508 1 152 . 1 1 34 34 ILE N N 15 123.55 . . 1 . . . . 35 ILE NN . 15508 1 153 . 1 1 35 35 THR H H 1 8.83 . . 1 . . . . 36 THR HN . 15508 1 154 . 1 1 35 35 THR HA H 1 5.15 . . 1 . . . . 36 THR HA . 15508 1 155 . 1 1 35 35 THR HB H 1 3.9 . . 1 . . . . 36 THR HB . 15508 1 156 . 1 1 35 35 THR N N 15 116.78 . . 1 . . . . 36 THR NN . 15508 1 157 . 1 1 36 36 VAL H H 1 9.12 . . 1 . . . . 37 VAL HN . 15508 1 158 . 1 1 36 36 VAL HA H 1 5.63 . . 1 . . . . 37 VAL HA . 15508 1 159 . 1 1 36 36 VAL HB H 1 1.8 . . 1 . . . . 37 VAL HB . 15508 1 160 . 1 1 36 36 VAL N N 15 115.7 . . 1 . . . . 37 VAL NN . 15508 1 161 . 1 1 37 37 GLU H H 1 9.19 . . 1 . . . . 38 GLU HN . 15508 1 162 . 1 1 37 37 GLU HA H 1 4.91 . . 1 . . . . 38 GLU HA . 15508 1 163 . 1 1 37 37 GLU HB2 H 1 1.95 . . 1 . . . . 38 GLU HB2 . 15508 1 164 . 1 1 37 37 GLU HB3 H 1 2.01 . . 1 . . . . 38 GLU HB3 . 15508 1 165 . 1 1 37 37 GLU N N 15 119.1 . . 1 . . . . 38 GLU NN . 15508 1 166 . 1 1 38 38 GLY H H 1 8.42 . . 1 . . . . 39 GLY HN . 15508 1 167 . 1 1 38 38 GLY HA2 H 1 3.94 . . 1 . . . . 39 GLY HA1 . 15508 1 168 . 1 1 38 38 GLY HA3 H 1 4.71 . . 1 . . . . 39 GLY HA2 . 15508 1 169 . 1 1 38 38 GLY N N 15 113.2 . . 1 . . . . 39 GLY NN . 15508 1 170 . 1 1 39 39 ASP H H 1 8.73 . . 1 . . . . 40 ASP HN . 15508 1 171 . 1 1 39 39 ASP HA H 1 4.41 . . 1 . . . . 40 ASP HA . 15508 1 172 . 1 1 39 39 ASP HB2 H 1 2.7 . . 1 . . . . 40 ASP HB2 . 15508 1 173 . 1 1 39 39 ASP HB3 H 1 2.73 . . 1 . . . . 40 ASP HB3 . 15508 1 174 . 1 1 39 39 ASP N N 15 119.96 . . 1 . . . . 40 ASP NN . 15508 1 175 . 1 1 40 40 LYS H H 1 8.5 . . 1 . . . . 41 LYS HN . 15508 1 176 . 1 1 40 40 LYS HA H 1 4.36 . . 1 . . . . 41 LYS HA . 15508 1 177 . 1 1 40 40 LYS HB2 H 1 1.79 . . 1 . . . . 41 LYS QB . 15508 1 178 . 1 1 40 40 LYS HB3 H 1 1.79 . . 1 . . . . 41 LYS QB . 15508 1 179 . 1 1 40 40 LYS N N 15 114.02 . . 1 . . . . 41 LYS NN . 15508 1 180 . 1 1 41 41 ALA H H 1 7.57 . . 1 . . . . 42 ALA HN . 15508 1 181 . 1 1 41 41 ALA HA H 1 4.59 . . 1 . . . . 42 ALA HA . 15508 1 182 . 1 1 41 41 ALA HB1 H 1 1.38 . . 1 . . . . 42 ALA QB . 15508 1 183 . 1 1 41 41 ALA HB2 H 1 1.38 . . 1 . . . . 42 ALA QB . 15508 1 184 . 1 1 41 41 ALA HB3 H 1 1.38 . . 1 . . . . 42 ALA QB . 15508 1 185 . 1 1 41 41 ALA N N 15 119.53 . . 1 . . . . 42 ALA NN . 15508 1 186 . 1 1 42 42 SER H H 1 8.35 . . 1 . . . . 43 SER HN . 15508 1 187 . 1 1 42 42 SER HA H 1 5.25 . . 1 . . . . 43 SER HA . 15508 1 188 . 1 1 42 42 SER HB2 H 1 3.78 . . 1 . . . . 43 SER QB . 15508 1 189 . 1 1 42 42 SER HB3 H 1 3.78 . . 1 . . . . 43 SER QB . 15508 1 190 . 1 1 42 42 SER N N 15 113.69 . . 1 . . . . 43 SER NN . 15508 1 191 . 1 1 43 43 MET H H 1 9.01 . . 1 . . . . 44 MET HN . 15508 1 192 . 1 1 43 43 MET HA H 1 4.79 . . 1 . . . . 44 MET HA . 15508 1 193 . 1 1 43 43 MET HB2 H 1 1.94 . . 1 . . . . 44 MET QB . 15508 1 194 . 1 1 43 43 MET HB3 H 1 1.94 . . 1 . . . . 44 MET QB . 15508 1 195 . 1 1 43 43 MET N N 15 119.49 . . 1 . . . . 44 MET NN . 15508 1 196 . 1 1 44 44 GLU H H 1 8.63 . . 1 . . . . 45 GLU HN . 15508 1 197 . 1 1 44 44 GLU HA H 1 5.07 . . 1 . . . . 45 GLU HA . 15508 1 198 . 1 1 44 44 GLU HB2 H 1 2.08 . . 1 . . . . 45 GLU QB . 15508 1 199 . 1 1 44 44 GLU HB3 H 1 2.08 . . 1 . . . . 45 GLU QB . 15508 1 200 . 1 1 44 44 GLU N N 15 119.64 . . 1 . . . . 45 GLU NN . 15508 1 201 . 1 1 45 45 VAL H H 1 8.51 . . 1 . . . . 46 VAL HN . 15508 1 202 . 1 1 45 45 VAL HA H 1 4.39 . . 1 . . . . 46 VAL HA . 15508 1 203 . 1 1 45 45 VAL HB H 1 1.97 . . 1 . . . . 46 VAL HB . 15508 1 204 . 1 1 45 45 VAL N N 15 122.52 . . 1 . . . . 46 VAL NN . 15508 1 205 . 1 1 46 46 PRO HA H 1 4.57 . . 1 . . . . 47 PRO HA . 15508 1 206 . 1 1 46 46 PRO HB2 H 1 1.58 . . 1 . . . . 47 PRO QB . 15508 1 207 . 1 1 46 46 PRO HB3 H 1 1.58 . . 1 . . . . 47 PRO QB . 15508 1 208 . 1 1 47 47 ALA H H 1 8.81 . . 1 . . . . 48 ALA HN . 15508 1 209 . 1 1 47 47 ALA HA H 1 4.27 . . 1 . . . . 48 ALA HA . 15508 1 210 . 1 1 47 47 ALA HB1 H 1 1.55 . . 1 . . . . 48 ALA QB . 15508 1 211 . 1 1 47 47 ALA HB2 H 1 1.55 . . 1 . . . . 48 ALA QB . 15508 1 212 . 1 1 47 47 ALA HB3 H 1 1.55 . . 1 . . . . 48 ALA QB . 15508 1 213 . 1 1 47 47 ALA N N 15 121.6 . . 1 . . . . 48 ALA NN . 15508 1 214 . 1 1 48 48 PRO HA H 1 4.4 . . 1 . . . . 49 PRO HA . 15508 1 215 . 1 1 48 48 PRO HB2 H 1 2.16 . . 1 . . . . 49 PRO QB . 15508 1 216 . 1 1 48 48 PRO HB3 H 1 2.16 . . 1 . . . . 49 PRO QB . 15508 1 217 . 1 1 49 49 PHE H H 1 6.86 . . 1 . . . . 50 PHE HN . 15508 1 218 . 1 1 49 49 PHE HA H 1 4.57 . . 1 . . . . 50 PHE HA . 15508 1 219 . 1 1 49 49 PHE HB2 H 1 3.43 . . 1 . . . . 50 PHE QB . 15508 1 220 . 1 1 49 49 PHE HB3 H 1 3.43 . . 1 . . . . 50 PHE QB . 15508 1 221 . 1 1 49 49 PHE N N 15 110.4 . . 1 . . . . 50 PHE NN . 15508 1 222 . 1 1 50 50 ALA H H 1 8.48 . . 1 . . . . 51 ALA HN . 15508 1 223 . 1 1 50 50 ALA HA H 1 4.59 . . 1 . . . . 51 ALA HA . 15508 1 224 . 1 1 50 50 ALA HB1 H 1 1.61 . . 1 . . . . 51 ALA QB . 15508 1 225 . 1 1 50 50 ALA HB2 H 1 1.61 . . 1 . . . . 51 ALA QB . 15508 1 226 . 1 1 50 50 ALA HB3 H 1 1.61 . . 1 . . . . 51 ALA QB . 15508 1 227 . 1 1 50 50 ALA N N 15 117.45 . . 1 . . . . 51 ALA NN . 15508 1 228 . 1 1 51 51 GLY H H 1 8.15 . . 1 . . . . 52 GLY HN . 15508 1 229 . 1 1 51 51 GLY HA2 H 1 4.02 . . 1 . . . . 52 GLY HA . 15508 1 230 . 1 1 51 51 GLY HA3 H 1 4.02 . . 1 . . . . 52 GLY HA . 15508 1 231 . 1 1 51 51 GLY N N 15 121.61 . . 1 . . . . 52 GLY NN . 15508 1 232 . 1 1 52 52 VAL H H 1 8.36 . . 1 . . . . 53 VAL HN . 15508 1 233 . 1 1 52 52 VAL HA H 1 4.73 . . 1 . . . . 53 VAL HA . 15508 1 234 . 1 1 52 52 VAL HB H 1 1.72 . . 1 . . . . 53 VAL HB . 15508 1 235 . 1 1 52 52 VAL N N 15 117.96 . . 1 . . . . 53 VAL NN . 15508 1 236 . 1 1 53 53 VAL H H 1 8.53 . . 1 . . . . 54 VAL HN . 15508 1 237 . 1 1 53 53 VAL HA H 1 3.61 . . 1 . . . . 54 VAL HA . 15508 1 238 . 1 1 53 53 VAL HB H 1 2.37 . . 1 . . . . 54 VAL HB . 15508 1 239 . 1 1 53 53 VAL N N 15 124.54 . . 1 . . . . 54 VAL NN . 15508 1 240 . 1 1 54 54 LYS H H 1 9.45 . . 1 . . . . 55 LYS HN . 15508 1 241 . 1 1 54 54 LYS HA H 1 4.58 . . 1 . . . . 55 LYS HA . 15508 1 242 . 1 1 54 54 LYS HB2 H 1 1.74 . . 1 . . . . 55 LYS QB . 15508 1 243 . 1 1 54 54 LYS HB3 H 1 1.74 . . 1 . . . . 55 LYS QB . 15508 1 244 . 1 1 54 54 LYS N N 15 112.99 . . 1 . . . . 55 LYS NN . 15508 1 245 . 1 1 55 55 GLU H H 1 7.79 . . 1 . . . . 56 GLU HN . 15508 1 246 . 1 1 55 55 GLU HA H 1 4.5 . . 1 . . . . 56 GLU HA . 15508 1 247 . 1 1 55 55 GLU HB2 H 1 1.84 . . 1 . . . . 56 GLU QB . 15508 1 248 . 1 1 55 55 GLU HB3 H 1 1.84 . . 1 . . . . 56 GLU QB . 15508 1 249 . 1 1 55 55 GLU N N 15 112.88 . . 1 . . . . 56 GLU NN . 15508 1 250 . 1 1 56 56 LEU H H 1 9.21 . . 1 . . . . 57 LEU HN . 15508 1 251 . 1 1 56 56 LEU HA H 1 4.6 . . 1 . . . . 57 LEU HA . 15508 1 252 . 1 1 56 56 LEU HB2 H 1 1.9 . . 1 . . . . 57 LEU QB . 15508 1 253 . 1 1 56 56 LEU HB3 H 1 1.9 . . 1 . . . . 57 LEU QB . 15508 1 254 . 1 1 56 56 LEU N N 15 125.47 . . 1 . . . . 57 LEU NN . 15508 1 255 . 1 1 57 57 LYS H H 1 8.01 . . 1 . . . . 58 LYS HN . 15508 1 256 . 1 1 57 57 LYS HA H 1 4.66 . . 1 . . . . 58 LYS HA . 15508 1 257 . 1 1 57 57 LYS HB2 H 1 1.08 . . 1 . . . . 58 LYS HB2 . 15508 1 258 . 1 1 57 57 LYS HB3 H 1 2.07 . . 1 . . . . 58 LYS HB3 . 15508 1 259 . 1 1 57 57 LYS N N 15 119.49 . . 1 . . . . 58 LYS NN . 15508 1 260 . 1 1 58 58 VAL H H 1 7.03 . . 1 . . . . 59 VAL HN . 15508 1 261 . 1 1 58 58 VAL HA H 1 4.68 . . 1 . . . . 59 VAL HA . 15508 1 262 . 1 1 58 58 VAL HB H 1 2.23 . . 1 . . . . 59 VAL HB . 15508 1 263 . 1 1 58 58 VAL N N 15 110.45 . . 1 . . . . 59 VAL NN . 15508 1 264 . 1 1 59 59 ASN H H 1 8.63 . . 1 . . . . 60 ASN HN . 15508 1 265 . 1 1 59 59 ASN HA H 1 4.96 . . 1 . . . . 60 ASN HA . 15508 1 266 . 1 1 59 59 ASN HB2 H 1 2.54 . . 1 . . . . 60 ASN HB2 . 15508 1 267 . 1 1 59 59 ASN HB3 H 1 2.65 . . 1 . . . . 60 ASN HB3 . 15508 1 268 . 1 1 59 59 ASN N N 15 120.56 . . 1 . . . . 60 ASN NN . 15508 1 269 . 1 1 60 60 VAL H H 1 8.66 . . 1 . . . . 61 VAL HN . 15508 1 270 . 1 1 60 60 VAL HA H 1 3.32 . . 1 . . . . 61 VAL HA . 15508 1 271 . 1 1 60 60 VAL HB H 1 1.9 . . 1 . . . . 61 VAL HB . 15508 1 272 . 1 1 60 60 VAL N N 15 119.24 . . 1 . . . . 61 VAL NN . 15508 1 273 . 1 1 61 61 GLY H H 1 9.25 . . 1 . . . . 62 GLY HN . 15508 1 274 . 1 1 61 61 GLY HA2 H 1 3.76 . . 1 . . . . 62 GLY HA1 . 15508 1 275 . 1 1 61 61 GLY HA3 H 1 4.49 . . 1 . . . . 62 GLY HA2 . 15508 1 276 . 1 1 61 61 GLY N N 15 115.69 . . 1 . . . . 62 GLY NN . 15508 1 277 . 1 1 62 62 ASP H H 1 7.92 . . 1 . . . . 63 ASP HN . 15508 1 278 . 1 1 62 62 ASP HA H 1 4.61 . . 1 . . . . 63 ASP HA . 15508 1 279 . 1 1 62 62 ASP HB2 H 1 2.68 . . 1 . . . . 63 ASP HB2 . 15508 1 280 . 1 1 62 62 ASP HB3 H 1 2.83 . . 1 . . . . 63 ASP HB3 . 15508 1 281 . 1 1 62 62 ASP N N 15 119.7 . . 1 . . . . 63 ASP NN . 15508 1 282 . 1 1 63 63 LYS H H 1 8.53 . . 1 . . . . 64 LYS HN . 15508 1 283 . 1 1 63 63 LYS HA H 1 5.35 . . 1 . . . . 64 LYS HA . 15508 1 284 . 1 1 63 63 LYS HB2 H 1 1.54 . . 1 . . . . 64 LYS HB2 . 15508 1 285 . 1 1 63 63 LYS HB3 H 1 1.83 . . 1 . . . . 64 LYS HB3 . 15508 1 286 . 1 1 63 63 LYS N N 15 117.15 . . 1 . . . . 64 LYS NN . 15508 1 287 . 1 1 64 64 VAL H H 1 9.03 . . 1 . . . . 65 VAL HN . 15508 1 288 . 1 1 64 64 VAL HA H 1 4.72 . . 1 . . . . 65 VAL HA . 15508 1 289 . 1 1 64 64 VAL HB H 1 2.12 . . 1 . . . . 65 VAL HB . 15508 1 290 . 1 1 64 64 VAL N N 15 112.85 . . 1 . . . . 65 VAL NN . 15508 1 291 . 1 1 65 65 LYS H H 1 8.41 . . 1 . . . . 66 LYS HN . 15508 1 292 . 1 1 65 65 LYS HA H 1 4.74 . . 1 . . . . 66 LYS HA . 15508 1 293 . 1 1 65 65 LYS HB2 H 1 1.73 . . 1 . . . . 66 LYS HB2 . 15508 1 294 . 1 1 65 65 LYS HB3 H 1 1.88 . . 1 . . . . 66 LYS HB3 . 15508 1 295 . 1 1 65 65 LYS N N 15 114.32 . . 1 . . . . 66 LYS NN . 15508 1 296 . 1 1 66 66 THR H H 1 8.94 . . 1 . . . . 67 THR HN . 15508 1 297 . 1 1 66 66 THR HA H 1 3.95 . . 1 . . . . 67 THR HA . 15508 1 298 . 1 1 66 66 THR HB H 1 4.03 . . 1 . . . . 67 THR HB . 15508 1 299 . 1 1 66 66 THR N N 15 116.9 . . 1 . . . . 67 THR NN . 15508 1 300 . 1 1 67 67 GLY H H 1 8.7 . . 1 . . . . 68 GLY HN . 15508 1 301 . 1 1 67 67 GLY HA2 H 1 3.59 . . 1 . . . . 68 GLY HA1 . 15508 1 302 . 1 1 67 67 GLY HA3 H 1 4.35 . . 1 . . . . 68 GLY HA2 . 15508 1 303 . 1 1 67 67 GLY N N 15 114.67 . . 1 . . . . 68 GLY NN . 15508 1 304 . 1 1 68 68 SER H H 1 8.65 . . 1 . . . . 69 SER HN . 15508 1 305 . 1 1 68 68 SER HA H 1 4.26 . . 1 . . . . 69 SER HA . 15508 1 306 . 1 1 68 68 SER HB2 H 1 3.77 . . 1 . . . . 69 SER QB . 15508 1 307 . 1 1 68 68 SER HB3 H 1 3.77 . . 1 . . . . 69 SER QB . 15508 1 308 . 1 1 68 68 SER N N 15 118.42 . . 1 . . . . 69 SER NN . 15508 1 309 . 1 1 69 69 LEU H H 1 8.69 . . 1 . . . . 70 LEU HN . 15508 1 310 . 1 1 69 69 LEU HA H 1 4.25 . . 1 . . . . 70 LEU HA . 15508 1 311 . 1 1 69 69 LEU HB2 H 1 1.85 . . 1 . . . . 70 LEU QB . 15508 1 312 . 1 1 69 69 LEU HB3 H 1 1.85 . . 1 . . . . 70 LEU QB . 15508 1 313 . 1 1 69 69 LEU N N 15 126.82 . . 1 . . . . 70 LEU NN . 15508 1 314 . 1 1 70 70 ILE H H 1 8.78 . . 1 . . . . 71 ILE HN . 15508 1 315 . 1 1 70 70 ILE HA H 1 3.77 . . 1 . . . . 71 ILE HA . 15508 1 316 . 1 1 70 70 ILE HB H 1 1.79 . . 1 . . . . 71 ILE HB . 15508 1 317 . 1 1 70 70 ILE N N 15 114.49 . . 1 . . . . 71 ILE NN . 15508 1 318 . 1 1 71 71 MET H H 1 7.88 . . 1 . . . . 72 MET HN . 15508 1 319 . 1 1 71 71 MET HA H 1 4.79 . . 1 . . . . 72 MET HA . 15508 1 320 . 1 1 71 71 MET HB2 H 1 2.02 . . 1 . . . . 72 MET HB2 . 15508 1 321 . 1 1 71 71 MET HB3 H 1 2.73 . . 1 . . . . 72 MET HB3 . 15508 1 322 . 1 1 71 71 MET N N 15 114.53 . . 1 . . . . 72 MET NN . 15508 1 323 . 1 1 72 72 ILE H H 1 8.7 . . 1 . . . . 73 ILE HN . 15508 1 324 . 1 1 72 72 ILE HA H 1 4.74 . . 1 . . . . 73 ILE HA . 15508 1 325 . 1 1 72 72 ILE HB H 1 1.85 . . 1 . . . . 73 ILE HB . 15508 1 326 . 1 1 72 72 ILE N N 15 115.85 . . 1 . . . . 73 ILE NN . 15508 1 327 . 1 1 73 73 PHE H H 1 9.51 . . 1 . . . . 74 PHE HN . 15508 1 328 . 1 1 73 73 PHE HA H 1 5.9 . . 1 . . . . 74 PHE HA . 15508 1 329 . 1 1 73 73 PHE HB2 H 1 3.03 . . 1 . . . . 74 PHE HB2 . 15508 1 330 . 1 1 73 73 PHE HB3 H 1 3.19 . . 1 . . . . 74 PHE HB3 . 15508 1 331 . 1 1 73 73 PHE N N 15 127.07 . . 1 . . . . 74 PHE NN . 15508 1 332 . 1 1 74 74 GLU H H 1 9.4 . . 1 . . . . 75 GLU HN . 15508 1 333 . 1 1 74 74 GLU HA H 1 4.98 . . 1 . . . . 75 GLU HA . 15508 1 334 . 1 1 74 74 GLU HB2 H 1 1.88 . . 1 . . . . 75 GLU HB2 . 15508 1 335 . 1 1 74 74 GLU HB3 H 1 2.03 . . 1 . . . . 75 GLU HB3 . 15508 1 336 . 1 1 74 74 GLU N N 15 119.26 . . 1 . . . . 75 GLU NN . 15508 1 337 . 1 1 75 75 VAL H H 1 9.04 . . 1 . . . . 76 VAL HN . 15508 1 338 . 1 1 75 75 VAL HA H 1 5.24 . . 1 . . . . 76 VAL HA . 15508 1 339 . 1 1 75 75 VAL HB H 1 2.17 . . 1 . . . . 76 VAL HB . 15508 1 340 . 1 1 75 75 VAL N N 15 122.83 . . 1 . . . . 76 VAL NN . 15508 1 341 . 1 1 76 76 GLU H H 1 8.7 . . 1 . . . . 77 GLU HN . 15508 1 342 . 1 1 76 76 GLU HA H 1 4.3 . . 1 . . . . 77 GLU HA . 15508 1 343 . 1 1 76 76 GLU HB2 H 1 1.95 . . 1 . . . . 77 GLU HB2 . 15508 1 344 . 1 1 76 76 GLU HB3 H 1 2.03 . . 1 . . . . 77 GLU HB3 . 15508 1 345 . 1 1 76 76 GLU N N 15 123.27 . . 1 . . . . 77 GLU NN . 15508 1 346 . 1 1 77 77 GLY H H 1 8.49 . . 1 . . . . 78 GLY HN . 15508 1 347 . 1 1 77 77 GLY HA2 H 1 3.94 . . 1 . . . . 78 GLY HA . 15508 1 348 . 1 1 77 77 GLY HA3 H 1 3.94 . . 1 . . . . 78 GLY HA . 15508 1 349 . 1 1 77 77 GLY N N 15 128 . . 1 . . . . 78 GLY NN . 15508 1 350 . 1 1 78 78 ALA H H 1 8.16 . . 1 . . . . 79 ALA HN . 15508 1 351 . 1 1 78 78 ALA HA H 1 4.31 . . 1 . . . . 79 ALA HA . 15508 1 352 . 1 1 78 78 ALA HB1 H 1 1.35 . . 1 . . . . 79 ALA QB . 15508 1 353 . 1 1 78 78 ALA HB2 H 1 1.35 . . 1 . . . . 79 ALA QB . 15508 1 354 . 1 1 78 78 ALA HB3 H 1 1.35 . . 1 . . . . 79 ALA QB . 15508 1 355 . 1 1 78 78 ALA N N 15 122.47 . . 1 . . . . 79 ALA NN . 15508 1 356 . 1 1 79 79 ALA H H 1 8.33 . . 1 . . . . 80 ALA HN . 15508 1 357 . 1 1 79 79 ALA HA H 1 4.57 . . 1 . . . . 80 ALA HA . 15508 1 358 . 1 1 79 79 ALA HB1 H 1 1.34 . . 1 . . . . 80 ALA QB . 15508 1 359 . 1 1 79 79 ALA HB2 H 1 1.34 . . 1 . . . . 80 ALA QB . 15508 1 360 . 1 1 79 79 ALA HB3 H 1 1.34 . . 1 . . . . 80 ALA QB . 15508 1 361 . 1 1 79 79 ALA N N 15 124 . . 1 . . . . 80 ALA NN . 15508 1 stop_ save_