################################### # 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 6187 _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_1 _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 '3D 15N-SEPARATED NOESY' 4 $sample_4 . 6187 1 2 '3D 15N-SEPARATED TOCSY' 4 $sample_4 . 6187 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 9 9 SER H H 1 8.29 0.05 . 1 . . . . 1 . . . 6187 1 2 . 1 1 9 9 SER HA H 1 4.564 0.05 . 1 . . . . 1 . . . 6187 1 3 . 1 1 9 9 SER CA C 13 58.57 0.05 . 1 . . . . 1 . . . 6187 1 4 . 1 1 9 9 SER N N 15 116.14 0.1 . 1 . . . . 1 . . . 6187 1 5 . 1 1 10 10 LYS H H 1 9.07 0.05 . 1 . . . . 2 . . . 6187 1 6 . 1 1 10 10 LYS HA H 1 4.363 0.05 . 1 . . . . 2 . . . 6187 1 7 . 1 1 10 10 LYS CA C 13 57.02 0.05 . 1 . . . . 2 . . . 6187 1 8 . 1 1 10 10 LYS N N 15 124.15 0.1 . 1 . . . . 2 . . . 6187 1 9 . 1 1 11 11 MET H H 1 8.48 0.05 . 1 . . . . 3 . . . 6187 1 10 . 1 1 11 11 MET HA H 1 5.178 0.05 . 1 . . . . 3 . . . 6187 1 11 . 1 1 11 11 MET CA C 13 54.86 0.05 . 1 . . . . 3 . . . 6187 1 12 . 1 1 11 11 MET N N 15 119.32 0.1 . 1 . . . . 3 . . . 6187 1 13 . 1 1 12 12 ILE H H 1 9.16 0.05 . 1 . . . . 4 . . . 6187 1 14 . 1 1 12 12 ILE HA H 1 4.581 0.05 . 1 . . . . 4 . . . 6187 1 15 . 1 1 12 12 ILE CA C 13 59.79 0.05 . 1 . . . . 4 . . . 6187 1 16 . 1 1 12 12 ILE N N 15 120.88 0.1 . 1 . . . . 4 . . . 6187 1 17 . 1 1 13 13 LYS H H 1 8.17 0.05 . 1 . . . . 5 . . . 6187 1 18 . 1 1 13 13 LYS HA H 1 4.907 0.05 . 1 . . . . 5 . . . 6187 1 19 . 1 1 13 13 LYS CA C 13 55.74 0.05 . 1 . . . . 5 . . . 6187 1 20 . 1 1 13 13 LYS N N 15 126.12 0.1 . 1 . . . . 5 . . . 6187 1 21 . 1 1 14 14 VAL H H 1 8.93 0.05 . 1 . . . . 6 . . . 6187 1 22 . 1 1 14 14 VAL HA H 1 5.284 0.05 . 1 . . . . 6 . . . 6187 1 23 . 1 1 14 14 VAL CA C 13 59.43 0.05 . 1 . . . . 6 . . . 6187 1 24 . 1 1 14 14 VAL N N 15 123.39 0.1 . 1 . . . . 6 . . . 6187 1 25 . 1 1 15 15 LYS H H 1 8.62 0.05 . 1 . . . . 7 . . . 6187 1 26 . 1 1 15 15 LYS HA H 1 5.211 0.05 . 1 . . . . 7 . . . 6187 1 27 . 1 1 15 15 LYS CA C 13 54.68 0.05 . 1 . . . . 7 . . . 6187 1 28 . 1 1 15 15 LYS N N 15 127.39 0.1 . 1 . . . . 7 . . . 6187 1 29 . 1 1 16 16 VAL H H 1 8.58 0.05 . 1 . . . . 8 . . . 6187 1 30 . 1 1 16 16 VAL HA H 1 4.775 0.05 . 1 . . . . 8 . . . 6187 1 31 . 1 1 16 16 VAL CA C 13 60.82 0.05 . 1 . . . . 8 . . . 6187 1 32 . 1 1 16 16 VAL N N 15 125.33 0.1 . 1 . . . . 8 . . . 6187 1 33 . 1 1 17 17 ILE H H 1 8.86 0.05 . 1 . . . . 9 . . . 6187 1 34 . 1 1 17 17 ILE HA H 1 3.937 0.05 . 1 . . . . 9 . . . 6187 1 35 . 1 1 17 17 ILE CA C 13 61.4927 0.05 . 1 . . . . 9 . . . 6187 1 36 . 1 1 17 17 ILE N N 15 131.21 0.1 . 1 . . . . 9 . . . 6187 1 37 . 1 1 18 18 GLY H H 1 8.9 0.05 . 1 . . . . 10 . . . 6187 1 38 . 1 1 18 18 GLY CA C 13 45.44 0.05 . 1 . . . . 10 . . . 6187 1 39 . 1 1 18 18 GLY N N 15 115.12 0.1 . 1 . . . . 10 . . . 6187 1 40 . 1 1 18 18 GLY HA2 H 1 3.823 0.05 . 1 . . . . 10 . . . 6187 1 41 . 1 1 18 18 GLY HA3 H 1 4.364 0.05 . 1 . . . . 10 . . . 6187 1 42 . 1 1 19 19 ARG H H 1 7.52 0.05 . 1 . . . . 11 . . . 6187 1 43 . 1 1 19 19 ARG HA H 1 4.769 0.05 . 1 . . . . 11 . . . 6187 1 44 . 1 1 19 19 ARG CA C 13 53.77 0.05 . 1 . . . . 11 . . . 6187 1 45 . 1 1 19 19 ARG N N 15 116.43 0.1 . 1 . . . . 11 . . . 6187 1 46 . 1 1 20 20 ASN H H 1 8.61 0.05 . 1 . . . . 12 . . . 6187 1 47 . 1 1 20 20 ASN HA H 1 4.587 0.05 . 1 . . . . 12 . . . 6187 1 48 . 1 1 20 20 ASN CA C 13 53.89 0.05 . 1 . . . . 12 . . . 6187 1 49 . 1 1 20 20 ASN N N 15 117.49 0.1 . 1 . . . . 12 . . . 6187 1 50 . 1 1 21 21 ILE H H 1 6.96 0.05 . 1 . . . . 13 . . . 6187 1 51 . 1 1 21 21 ILE HA H 1 4.41 0.05 . 1 . . . . 13 . . . 6187 1 52 . 1 1 21 21 ILE CA C 13 60.48 0.05 . 1 . . . . 13 . . . 6187 1 53 . 1 1 21 21 ILE N N 15 116.56 0.1 . 1 . . . . 13 . . . 6187 1 54 . 1 1 22 22 GLU H H 1 8.49 0.05 . 1 . . . . 14 . . . 6187 1 55 . 1 1 22 22 GLU HA H 1 5.314 0.05 . 1 . . . . 14 . . . 6187 1 56 . 1 1 22 22 GLU CA C 13 55.54 0.05 . 1 . . . . 14 . . . 6187 1 57 . 1 1 22 22 GLU N N 15 128.23 0.1 . 1 . . . . 14 . . . 6187 1 58 . 1 1 23 23 LYS H H 1 9.05 0.05 . 1 . . . . 15 . . . 6187 1 59 . 1 1 23 23 LYS HA H 1 4.806 0.05 . 1 . . . . 15 . . . 6187 1 60 . 1 1 23 23 LYS CA C 13 54.747 0.05 . 1 . . . . 15 . . . 6187 1 61 . 1 1 23 23 LYS N N 15 123.17 0.1 . 1 . . . . 15 . . . 6187 1 62 . 1 1 24 24 GLU H H 1 8.39 0.05 . 1 . . . . 16 . . . 6187 1 63 . 1 1 24 24 GLU HA H 1 5.301 0.05 . 1 . . . . 16 . . . 6187 1 64 . 1 1 24 24 GLU CA C 13 55.07 0.05 . 1 . . . . 16 . . . 6187 1 65 . 1 1 24 24 GLU N N 15 121.07 0.1 . 1 . . . . 16 . . . 6187 1 66 . 1 1 25 25 ILE H H 1 9.06 0.05 . 1 . . . . 17 . . . 6187 1 67 . 1 1 25 25 ILE HA H 1 4.409 0.05 . 1 . . . . 17 . . . 6187 1 68 . 1 1 25 25 ILE CA C 13 59.148 0.05 . 1 . . . . 17 . . . 6187 1 69 . 1 1 25 25 ILE N N 15 123.35 0.1 . 1 . . . . 17 . . . 6187 1 70 . 1 1 26 26 GLU H H 1 8.59 0.05 . 1 . . . . 18 . . . 6187 1 71 . 1 1 26 26 GLU HA H 1 4.601 0.05 . 1 . . . . 18 . . . 6187 1 72 . 1 1 26 26 GLU CA C 13 57.4 0.05 . 1 . . . . 18 . . . 6187 1 73 . 1 1 26 26 GLU N N 15 126.7 0.1 . 1 . . . . 18 . . . 6187 1 74 . 1 1 27 27 TRP H H 1 8.59 0.05 . 1 . . . . 19 . . . 6187 1 75 . 1 1 27 27 TRP HA H 1 4.364 0.05 . 1 . . . . 19 . . . 6187 1 76 . 1 1 27 27 TRP CA C 13 58.42 0.05 . 1 . . . . 19 . . . 6187 1 77 . 1 1 27 27 TRP N N 15 126.29 0.1 . 1 . . . . 19 . . . 6187 1 78 . 1 1 28 28 ARG H H 1 5.99 0.05 . 1 . . . . 20 . . . 6187 1 79 . 1 1 28 28 ARG HA H 1 3.733 0.05 . 1 . . . . 20 . . . 6187 1 80 . 1 1 28 28 ARG CA C 13 53.78 0.05 . 1 . . . . 20 . . . 6187 1 81 . 1 1 28 28 ARG N N 15 123.86 0.1 . 1 . . . . 20 . . . 6187 1 82 . 1 1 29 29 GLU H H 1 7.7 0.05 . 1 . . . . 21 . . . 6187 1 83 . 1 1 29 29 GLU HA H 1 3.543 0.05 . 1 . . . . 21 . . . 6187 1 84 . 1 1 29 29 GLU CA C 13 57.92 0.05 . 1 . . . . 21 . . . 6187 1 85 . 1 1 29 29 GLU N N 15 120.1 0.1 . 1 . . . . 21 . . . 6187 1 86 . 1 1 30 30 GLY H H 1 8.82 0.05 . 1 . . . . 22 . . . 6187 1 87 . 1 1 30 30 GLY CA C 13 44.99 0.05 . 1 . . . . 22 . . . 6187 1 88 . 1 1 30 30 GLY N N 15 114.32 0.1 . 1 . . . . 22 . . . 6187 1 89 . 1 1 30 30 GLY HA3 H 1 4.16 0.05 . 1 . . . . 22 . . . 6187 1 90 . 1 1 30 30 GLY HA2 H 1 3.677 0.05 . 1 . . . . 22 . . . 6187 1 91 . 1 1 31 31 MET H H 1 7.53 0.05 . 1 . . . . 23 . . . 6187 1 92 . 1 1 31 31 MET HA H 1 4.036 0.05 . 1 . . . . 23 . . . 6187 1 93 . 1 1 31 31 MET CA C 13 58.02 0.05 . 1 . . . . 23 . . . 6187 1 94 . 1 1 31 31 MET N N 15 121.67 0.1 . 1 . . . . 23 . . . 6187 1 95 . 1 1 32 32 LYS H H 1 9.11 0.05 . 1 . . . . 24 . . . 6187 1 96 . 1 1 32 32 LYS HA H 1 5.343 0.05 . 1 . . . . 24 . . . 6187 1 97 . 1 1 32 32 LYS CA C 13 53.97 0.05 . 1 . . . . 24 . . . 6187 1 98 . 1 1 32 32 LYS N N 15 124.38 0.1 . 1 . . . . 24 . . . 6187 1 99 . 1 1 33 33 VAL H H 1 8.78 0.05 . 1 . . . . 25 . . . 6187 1 100 . 1 1 33 33 VAL HA H 1 3.27 0.05 . 1 . . . . 25 . . . 6187 1 101 . 1 1 33 33 VAL CA C 13 53.97 0.05 . 1 . . . . 25 . . . 6187 1 102 . 1 1 33 33 VAL N N 15 124.33 0.1 . 1 . . . . 25 . . . 6187 1 103 . 1 1 34 34 ARG H H 1 8.93 0.05 . 1 . . . . 26 . . . 6187 1 104 . 1 1 34 34 ARG CA C 13 67.98 0.05 . 1 . . . . 26 . . . 6187 1 105 . 1 1 34 34 ARG N N 15 116.47 0.1 . 1 . . . . 26 . . . 6187 1 106 . 1 1 35 35 ASP H H 1 7.47 0.05 . 1 . . . . 27 . . . 6187 1 107 . 1 1 35 35 ASP HA H 1 4.454 0.05 . 1 . . . . 27 . . . 6187 1 108 . 1 1 35 35 ASP CA C 13 57.46 0.05 . 1 . . . . 27 . . . 6187 1 109 . 1 1 35 35 ASP N N 15 118.6 0.1 . 1 . . . . 27 . . . 6187 1 110 . 1 1 36 36 ILE H H 1 7.51 0.05 . 1 . . . . 28 . . . 6187 1 111 . 1 1 36 36 ILE HA H 1 3.672 0.05 . 1 . . . . 28 . . . 6187 1 112 . 1 1 36 36 ILE CA C 13 62.8 0.05 . 1 . . . . 28 . . . 6187 1 113 . 1 1 36 36 ILE N N 15 121.75 0.1 . 1 . . . . 28 . . . 6187 1 114 . 1 1 37 37 LEU H H 1 8.05 0.05 . 1 . . . . 29 . . . 6187 1 115 . 1 1 37 37 LEU HA H 1 3.752 0.05 . 1 . . . . 29 . . . 6187 1 116 . 1 1 37 37 LEU CA C 13 58.46 0.05 . 1 . . . . 29 . . . 6187 1 117 . 1 1 37 37 LEU N N 15 116.92 0.1 . 1 . . . . 29 . . . 6187 1 118 . 1 1 38 38 ARG H H 1 7.63 0.05 . 1 . . . . 30 . . . 6187 1 119 . 1 1 38 38 ARG HA H 1 4.259 0.05 . 1 . . . . 30 . . . 6187 1 120 . 1 1 38 38 ARG CA C 13 59.07 0.05 . 1 . . . . 30 . . . 6187 1 121 . 1 1 38 38 ARG N N 15 117.4 0.1 . 1 . . . . 30 . . . 6187 1 122 . 1 1 39 39 ALA H H 1 7.63 0.05 . 1 . . . . 31 . . . 6187 1 123 . 1 1 39 39 ALA HA H 1 4.253 0.05 . 1 . . . . 31 . . . 6187 1 124 . 1 1 39 39 ALA CA C 13 54.77 0.05 . 1 . . . . 31 . . . 6187 1 125 . 1 1 39 39 ALA N N 15 121.75 0.1 . 1 . . . . 31 . . . 6187 1 126 . 1 1 40 40 VAL H H 1 7.36 0.05 . 1 . . . . 32 . . . 6187 1 127 . 1 1 40 40 VAL HA H 1 4.64 0.05 . 1 . . . . 32 . . . 6187 1 128 . 1 1 40 40 VAL CA C 13 60.33 0.05 . 1 . . . . 32 . . . 6187 1 129 . 1 1 40 40 VAL N N 15 106.13 0.1 . 1 . . . . 32 . . . 6187 1 130 . 1 1 41 41 GLY H H 1 7.58 0.05 . 1 . . . . 33 . . . 6187 1 131 . 1 1 41 41 GLY CA C 13 46.17 0.05 . 1 . . . . 33 . . . 6187 1 132 . 1 1 41 41 GLY N N 15 107.18 0.1 . 1 . . . . 33 . . . 6187 1 133 . 1 1 41 41 GLY HA3 H 1 3.952 0.05 . 1 . . . . 33 . . . 6187 1 134 . 1 1 41 41 GLY HA2 H 1 3.712 0.05 . 1 . . . . 33 . . . 6187 1 135 . 1 1 42 42 PHE H H 1 8.3 0.05 . 1 . . . . 34 . . . 6187 1 136 . 1 1 42 42 PHE HA H 1 4.711 0.05 . 1 . . . . 34 . . . 6187 1 137 . 1 1 42 42 PHE CA C 13 57.27 0.05 . 1 . . . . 34 . . . 6187 1 138 . 1 1 42 42 PHE N N 15 118.78 0.1 . 1 . . . . 34 . . . 6187 1 139 . 1 1 43 43 ASN H H 1 8.04 0.05 . 1 . . . . 35 . . . 6187 1 140 . 1 1 43 43 ASN HA H 1 4.73 0.05 . 1 . . . . 35 . . . 6187 1 141 . 1 1 43 43 ASN CA C 13 52.49 0.05 . 1 . . . . 35 . . . 6187 1 142 . 1 1 43 43 ASN N N 15 116.2 0.1 . 1 . . . . 35 . . . 6187 1 143 . 1 1 44 44 THR H H 1 8.32 0.05 . 1 . . . . 36 . . . 6187 1 144 . 1 1 44 44 THR HA H 1 4.294 0.05 . 1 . . . . 36 . . . 6187 1 145 . 1 1 44 44 THR CA C 13 64.17 0.05 . 1 . . . . 36 . . . 6187 1 146 . 1 1 44 44 THR N N 15 110 0.1 . 1 . . . . 36 . . . 6187 1 147 . 1 1 45 45 GLU H H 1 8.38 0.05 . 1 . . . . 37 . . . 6187 1 148 . 1 1 45 45 GLU HA H 1 4.443 0.05 . 1 . . . . 37 . . . 6187 1 149 . 1 1 45 45 GLU CA C 13 57.41 0.05 . 1 . . . . 37 . . . 6187 1 150 . 1 1 45 45 GLU N N 15 118.65 0.1 . 1 . . . . 37 . . . 6187 1 151 . 1 1 46 46 SER H H 1 8.01 0.05 . 1 . . . . 38 . . . 6187 1 152 . 1 1 46 46 SER HA H 1 4.702 0.05 . 1 . . . . 38 . . . 6187 1 153 . 1 1 46 46 SER CA C 13 57.82 0.05 . 1 . . . . 38 . . . 6187 1 154 . 1 1 46 46 SER N N 15 113.01 0.1 . 1 . . . . 38 . . . 6187 1 155 . 1 1 47 47 ALA H H 1 8 0.05 . 1 . . . . 39 . . . 6187 1 156 . 1 1 47 47 ALA HA H 1 4.891 0.05 . 1 . . . . 39 . . . 6187 1 157 . 1 1 47 47 ALA CA C 13 52.14 0.05 . 1 . . . . 39 . . . 6187 1 158 . 1 1 47 47 ALA N N 15 124.85 0.1 . 1 . . . . 39 . . . 6187 1 159 . 1 1 48 48 ILE H H 1 8.2 0.05 . 1 . . . . 40 . . . 6187 1 160 . 1 1 48 48 ILE HA H 1 4.254 0.05 . 1 . . . . 40 . . . 6187 1 161 . 1 1 48 48 ILE CA C 13 60.02 0.05 . 1 . . . . 40 . . . 6187 1 162 . 1 1 48 48 ILE N N 15 117.4 0.1 . 1 . . . . 40 . . . 6187 1 163 . 1 1 49 49 ALA H H 1 8.9 0.05 . 1 . . . . 41 . . . 6187 1 164 . 1 1 49 49 ALA HA H 1 5.416 0.05 . 1 . . . . 41 . . . 6187 1 165 . 1 1 49 49 ALA CA C 13 49.92 0.05 . 1 . . . . 41 . . . 6187 1 166 . 1 1 49 49 ALA N N 15 125.88 0.1 . 1 . . . . 41 . . . 6187 1 167 . 1 1 50 50 LYS H H 1 8.85 0.05 . 1 . . . . 42 . . . 6187 1 168 . 1 1 50 50 LYS HA H 1 5.18 0.05 . 1 . . . . 42 . . . 6187 1 169 . 1 1 50 50 LYS CA C 13 54.37 0.05 . 1 . . . . 42 . . . 6187 1 170 . 1 1 50 50 LYS N N 15 117.75 0.1 . 1 . . . . 42 . . . 6187 1 171 . 1 1 51 51 VAL H H 1 8.8 0.05 . 1 . . . . 43 . . . 6187 1 172 . 1 1 51 51 VAL HA H 1 4.673 0.05 . 1 . . . . 43 . . . 6187 1 173 . 1 1 51 51 VAL CA C 13 61.4 0.05 . 1 . . . . 43 . . . 6187 1 174 . 1 1 51 51 VAL N N 15 121.05 0.1 . 1 . . . . 43 . . . 6187 1 175 . 1 1 52 52 ASN H H 1 9.94 0.05 . 1 . . . . 44 . . . 6187 1 176 . 1 1 52 52 ASN HA H 1 4.579 0.05 . 1 . . . . 44 . . . 6187 1 177 . 1 1 52 52 ASN CA C 13 54.34 0.05 . 1 . . . . 44 . . . 6187 1 178 . 1 1 52 52 ASN N N 15 128.77 0.1 . 1 . . . . 44 . . . 6187 1 179 . 1 1 53 53 GLY H H 1 9.51 0.05 . 1 . . . . 45 . . . 6187 1 180 . 1 1 53 53 GLY CA C 13 45.37 0.05 . 1 . . . . 45 . . . 6187 1 181 . 1 1 53 53 GLY N N 15 103.74 0.1 . 1 . . . . 45 . . . 6187 1 182 . 1 1 53 53 GLY HA3 H 1 4.277 0.05 . 1 . . . . 45 . . . 6187 1 183 . 1 1 53 53 GLY HA2 H 1 3.642 0.05 . 1 . . . . 45 . . . 6187 1 184 . 1 1 54 54 LYS H H 1 7.7 0.05 . 1 . . . . 46 . . . 6187 1 185 . 1 1 54 54 LYS HA H 1 4.751 0.05 . 1 . . . . 46 . . . 6187 1 186 . 1 1 54 54 LYS CA C 13 54.48 0.05 . 1 . . . . 46 . . . 6187 1 187 . 1 1 54 54 LYS N N 15 121.8 0.1 . 1 . . . . 46 . . . 6187 1 188 . 1 1 55 55 VAL H H 1 8.58 0.05 . 1 . . . . 47 . . . 6187 1 189 . 1 1 55 55 VAL HA H 1 4.305 0.05 . 1 . . . . 47 . . . 6187 1 190 . 1 1 55 55 VAL CA C 13 64.56 0.05 . 1 . . . . 47 . . . 6187 1 191 . 1 1 55 55 VAL N N 15 124.49 0.1 . 1 . . . . 47 . . . 6187 1 192 . 1 1 56 56 VAL H H 1 7.97 0.05 . 1 . . . . 48 . . . 6187 1 193 . 1 1 56 56 VAL HA H 1 4.789 0.05 . 1 . . . . 48 . . . 6187 1 194 . 1 1 56 56 VAL CA C 13 59.58 0.05 . 1 . . . . 48 . . . 6187 1 195 . 1 1 56 56 VAL N N 15 121.3 0.1 . 1 . . . . 48 . . . 6187 1 196 . 1 1 57 57 LEU H H 1 8.47 0.05 . 1 . . . . 49 . . . 6187 1 197 . 1 1 57 57 LEU HA H 1 5.301 0.05 . 1 . . . . 49 . . . 6187 1 198 . 1 1 57 57 LEU CA C 13 53.59 0.05 . 1 . . . . 49 . . . 6187 1 199 . 1 1 57 57 LEU N N 15 120.32 0.1 . 1 . . . . 49 . . . 6187 1 200 . 1 1 58 58 GLU H H 1 8.67 0.05 . 1 . . . . 50 . . . 6187 1 201 . 1 1 58 58 GLU HA H 1 3.863 0.05 . 1 . . . . 50 . . . 6187 1 202 . 1 1 58 58 GLU CA C 13 59.27 0.05 . 1 . . . . 50 . . . 6187 1 203 . 1 1 58 58 GLU N N 15 116.72 0.1 . 1 . . . . 50 . . . 6187 1 204 . 1 1 59 59 ASP H H 1 7.77 0.05 . 1 . . . . 51 . . . 6187 1 205 . 1 1 59 59 ASP HA H 1 4.809 0.05 . 1 . . . . 51 . . . 6187 1 206 . 1 1 59 59 ASP CA C 13 53.77 0.05 . 1 . . . . 51 . . . 6187 1 207 . 1 1 59 59 ASP N N 15 115.12 0.1 . 1 . . . . 51 . . . 6187 1 208 . 1 1 60 60 ASP H H 1 7.62 0.05 . 1 . . . . 52 . . . 6187 1 209 . 1 1 60 60 ASP HA H 1 4.64 0.05 . 1 . . . . 52 . . . 6187 1 210 . 1 1 60 60 ASP CA C 13 55.19 0.05 . 1 . . . . 52 . . . 6187 1 211 . 1 1 60 60 ASP N N 15 120.33 0.1 . 1 . . . . 52 . . . 6187 1 212 . 1 1 61 61 GLU H H 1 8.52 0.05 . 1 . . . . 53 . . . 6187 1 213 . 1 1 61 61 GLU HA H 1 4.679 0.05 . 1 . . . . 53 . . . 6187 1 214 . 1 1 61 61 GLU CA C 13 56.69 0.05 . 1 . . . . 53 . . . 6187 1 215 . 1 1 61 61 GLU N N 15 120.07 0.1 . 1 . . . . 53 . . . 6187 1 216 . 1 1 62 62 VAL H H 1 7.77 0.05 . 1 . . . . 54 . . . 6187 1 217 . 1 1 62 62 VAL HA H 1 4.48 0.05 . 1 . . . . 54 . . . 6187 1 218 . 1 1 62 62 VAL CA C 13 60.54 0.05 . 1 . . . . 54 . . . 6187 1 219 . 1 1 62 62 VAL N N 15 116.88 0.1 . 1 . . . . 54 . . . 6187 1 220 . 1 1 63 63 LYS H H 1 9.13 0.05 . 1 . . . . 55 . . . 6187 1 221 . 1 1 63 63 LYS HA H 1 4.386 0.05 . 1 . . . . 55 . . . 6187 1 222 . 1 1 63 63 LYS CA C 13 54.64 0.05 . 1 . . . . 55 . . . 6187 1 223 . 1 1 63 63 LYS N N 15 126.44 0.1 . 1 . . . . 55 . . . 6187 1 224 . 1 1 64 64 ASP H H 1 7.06 0.05 . 1 . . . . 56 . . . 6187 1 225 . 1 1 64 64 ASP HA H 1 3.425 0.05 . 1 . . . . 56 . . . 6187 1 226 . 1 1 64 64 ASP CA C 13 55.5 0.05 . 1 . . . . 56 . . . 6187 1 227 . 1 1 64 64 ASP N N 15 117.4 0.1 . 1 . . . . 56 . . . 6187 1 228 . 1 1 65 65 GLY H H 1 7.95 0.05 . 1 . . . . 57 . . . 6187 1 229 . 1 1 65 65 GLY CA C 13 45.22 0.05 . 1 . . . . 57 . . . 6187 1 230 . 1 1 65 65 GLY N N 15 113.81 0.1 . 1 . . . . 57 . . . 6187 1 231 . 1 1 65 65 GLY HA3 H 1 4.163 0.05 . 1 . . . . 57 . . . 6187 1 232 . 1 1 65 65 GLY HA2 H 1 3.743 0.05 . 1 . . . . 57 . . . 6187 1 233 . 1 1 66 66 ASP H H 1 7.87 0.05 . 1 . . . . 58 . . . 6187 1 234 . 1 1 66 66 ASP HA H 1 4.706 0.05 . 1 . . . . 58 . . . 6187 1 235 . 1 1 66 66 ASP CA C 13 55.99 0.05 . 1 . . . . 58 . . . 6187 1 236 . 1 1 66 66 ASP N N 15 122.2 0.1 . 1 . . . . 58 . . . 6187 1 237 . 1 1 67 67 PHE H H 1 8.23 0.05 . 1 . . . . 59 . . . 6187 1 238 . 1 1 67 67 PHE HA H 1 5.445 0.05 . 1 . . . . 59 . . . 6187 1 239 . 1 1 67 67 PHE CA C 13 55.1156 0.05 . 1 . . . . 59 . . . 6187 1 240 . 1 1 67 67 PHE N N 15 120.22 0.1 . 1 . . . . 59 . . . 6187 1 241 . 1 1 68 68 VAL H H 1 9.21 0.05 . 1 . . . . 60 . . . 6187 1 242 . 1 1 68 68 VAL HA H 1 4.875 0.05 . 1 . . . . 60 . . . 6187 1 243 . 1 1 68 68 VAL CA C 13 60.64 0.05 . 1 . . . . 60 . . . 6187 1 244 . 1 1 68 68 VAL N N 15 129.68 0.1 . 1 . . . . 60 . . . 6187 1 245 . 1 1 69 69 GLU H H 1 8.87 0.05 . 1 . . . . 61 . . . 6187 1 246 . 1 1 69 69 GLU HA H 1 4.899 0.05 . 1 . . . . 61 . . . 6187 1 247 . 1 1 69 69 GLU CA C 13 54.45 0.05 . 1 . . . . 61 . . . 6187 1 248 . 1 1 69 69 GLU N N 15 126.24 0.1 . 1 . . . . 61 . . . 6187 1 249 . 1 1 70 70 VAL H H 1 8.89 0.05 . 1 . . . . 62 . . . 6187 1 250 . 1 1 70 70 VAL HA H 1 4.365 0.05 . 1 . . . . 62 . . . 6187 1 251 . 1 1 70 70 VAL CA C 13 61.44 0.05 . 1 . . . . 62 . . . 6187 1 252 . 1 1 70 70 VAL N N 15 123.54 0.1 . 1 . . . . 62 . . . 6187 1 253 . 1 1 71 71 ILE H H 1 9.22 0.05 . 1 . . . . 63 . . . 6187 1 254 . 1 1 71 71 ILE HA H 1 4.487 0.05 . 1 . . . . 63 . . . 6187 1 255 . 1 1 71 71 ILE CA C 13 58.73 0.05 . 1 . . . . 63 . . . 6187 1 256 . 1 1 71 71 ILE N N 15 129.06 0.1 . 1 . . . . 63 . . . 6187 1 257 . 1 1 73 73 VAL H H 1 8.1 0.05 . 1 . . . . 65 . . . 6187 1 258 . 1 1 73 73 VAL HA H 1 4.16 0.05 . 1 . . . . 65 . . . 6187 1 259 . 1 1 73 73 VAL CA C 13 62.45 0.05 . 1 . . . . 65 . . . 6187 1 260 . 1 1 73 73 VAL N N 15 122.64 0.1 . 1 . . . . 65 . . . 6187 1 261 . 1 1 74 74 VAL H H 1 8.2 0.05 . 1 . . . . 66 . . . 6187 1 262 . 1 1 74 74 VAL HA H 1 4.264 0.05 . 1 . . . . 66 . . . 6187 1 263 . 1 1 74 74 VAL CA C 13 61.85 0.05 . 1 . . . . 66 . . . 6187 1 264 . 1 1 74 74 VAL N N 15 123.46 0.1 . 1 . . . . 66 . . . 6187 1 265 . 1 1 75 75 SER H H 1 8.46 0.05 . 1 . . . . 67 . . . 6187 1 266 . 1 1 75 75 SER HA H 1 4.489 0.05 . 1 . . . . 67 . . . 6187 1 267 . 1 1 75 75 SER CA C 13 58.51 0.05 . 1 . . . . 67 . . . 6187 1 268 . 1 1 75 75 SER N N 15 120.58 0.1 . 1 . . . . 67 . . . 6187 1 269 . 1 1 76 76 GLY H H 1 8.47 0.05 . 1 . . . . 68 . . . 6187 1 270 . 1 1 76 76 GLY CA C 13 45.44 0.05 . 1 . . . . 68 . . . 6187 1 271 . 1 1 76 76 GLY N N 15 111.96 0.1 . 1 . . . . 68 . . . 6187 1 272 . 1 1 76 76 GLY HA2 H 1 4.005 0.05 . 2 . . . . 68 . . . 6187 1 273 . 1 1 77 77 GLY H H 1 7.98 0.05 . 1 . . . . 69 . . . 6187 1 274 . 1 1 77 77 GLY CA C 13 46 0.05 . 1 . . . . 69 . . . 6187 1 275 . 1 1 77 77 GLY N N 15 115.1 0.1 . 1 . . . . 69 . . . 6187 1 276 . 1 1 77 77 GLY HA2 H 1 3.786 0.05 . 2 . . . . 69 . . . 6187 1 stop_ save_