################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27088 _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 $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' . . . 27088 1 2 '3D CBCA(CO)NH' . . . 27088 1 3 '3D HNCACB' . . . 27088 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 . 1 . 1 16 16 ASN CA C 13 54.142 0.02 . 1 . . . . . 16 ASN CA . 27088 1 2 . 1 . 1 16 16 ASN CB C 13 37.178 0.03 . 1 . . . . . 16 ASN CB . 27088 1 3 . 1 . 1 17 17 VAL H H 1 7.740 0.01 . 1 . . . . . 17 VAL H . 27088 1 4 . 1 . 1 17 17 VAL CA C 13 62.290 0.06 . 1 . . . . . 17 VAL CA . 27088 1 5 . 1 . 1 17 17 VAL CB C 13 31.532 0.12 . 1 . . . . . 17 VAL CB . 27088 1 6 . 1 . 1 17 17 VAL N N 15 119.086 0.14 . 1 . . . . . 17 VAL N . 27088 1 7 . 1 . 1 18 18 GLY H H 1 8.725 0.01 . 1 . . . . . 18 GLY H . 27088 1 8 . 1 . 1 18 18 GLY CA C 13 45.180 0.00 . 1 . . . . . 18 GLY CA . 27088 1 9 . 1 . 1 18 18 GLY N N 15 115.170 0.09 . 1 . . . . . 18 GLY N . 27088 1 10 . 1 . 1 19 19 SER CA C 13 57.168 0.08 . 1 . . . . . 19 SER CA . 27088 1 11 . 1 . 1 19 19 SER CB C 13 66.133 0.01 . 1 . . . . . 19 SER CB . 27088 1 12 . 1 . 1 20 20 LEU H H 1 8.388 0.01 . 1 . . . . . 20 LEU H . 27088 1 13 . 1 . 1 20 20 LEU CA C 13 52.950 0.00 . 1 . . . . . 20 LEU CA . 27088 1 14 . 1 . 1 20 20 LEU CB C 13 44.676 0.00 . 1 . . . . . 20 LEU CB . 27088 1 15 . 1 . 1 20 20 LEU N N 15 122.152 0.07 . 1 . . . . . 20 LEU N . 27088 1 16 . 1 . 1 21 21 ASP CA C 13 53.908 0.09 . 1 . . . . . 21 ASP CA . 27088 1 17 . 1 . 1 21 21 ASP CB C 13 40.388 0.02 . 1 . . . . . 21 ASP CB . 27088 1 18 . 1 . 1 22 22 LYS H H 1 8.223 0.01 . 1 . . . . . 22 LYS H . 27088 1 19 . 1 . 1 22 22 LYS CA C 13 58.106 0.09 . 1 . . . . . 22 LYS CA . 27088 1 20 . 1 . 1 22 22 LYS CB C 13 31.957 0.26 . 1 . . . . . 22 LYS CB . 27088 1 21 . 1 . 1 22 22 LYS N N 15 124.783 0.08 . 1 . . . . . 22 LYS N . 27088 1 22 . 1 . 1 23 23 THR H H 1 8.434 0.01 . 1 . . . . . 23 THR H . 27088 1 23 . 1 . 1 23 23 THR CA C 13 62.622 0.10 . 1 . . . . . 23 THR CA . 27088 1 24 . 1 . 1 23 23 THR CB C 13 69.274 0.09 . 1 . . . . . 23 THR CB . 27088 1 25 . 1 . 1 23 23 THR N N 15 110.683 0.10 . 1 . . . . . 23 THR N . 27088 1 26 . 1 . 1 24 24 SER H H 1 7.473 0.01 . 1 . . . . . 24 SER H . 27088 1 27 . 1 . 1 24 24 SER CA C 13 57.706 0.00 . 1 . . . . . 24 SER CA . 27088 1 28 . 1 . 1 24 24 SER CB C 13 63.532 0.00 . 1 . . . . . 24 SER CB . 27088 1 29 . 1 . 1 24 24 SER N N 15 117.221 0.08 . 1 . . . . . 24 SER N . 27088 1 30 . 1 . 1 25 25 LYS CA C 13 58.498 0.10 . 1 . . . . . 25 LYS CA . 27088 1 31 . 1 . 1 25 25 LYS CB C 13 32.622 0.08 . 1 . . . . . 25 LYS CB . 27088 1 32 . 1 . 1 26 26 ASN H H 1 8.100 0.01 . 1 . . . . . 26 ASN H . 27088 1 33 . 1 . 1 26 26 ASN CA C 13 52.773 0.08 . 1 . . . . . 26 ASN CA . 27088 1 34 . 1 . 1 26 26 ASN CB C 13 38.825 0.04 . 1 . . . . . 26 ASN CB . 27088 1 35 . 1 . 1 26 26 ASN N N 15 112.474 0.07 . 1 . . . . . 26 ASN N . 27088 1 36 . 1 . 1 27 27 VAL H H 1 7.289 0.01 . 1 . . . . . 27 VAL H . 27088 1 37 . 1 . 1 27 27 VAL CA C 13 59.850 0.06 . 1 . . . . . 27 VAL CA . 27088 1 38 . 1 . 1 27 27 VAL CB C 13 35.431 0.11 . 1 . . . . . 27 VAL CB . 27088 1 39 . 1 . 1 27 27 VAL N N 15 119.111 0.08 . 1 . . . . . 27 VAL N . 27088 1 40 . 1 . 1 28 28 GLY H H 1 8.835 0.01 . 1 . . . . . 28 GLY H . 27088 1 41 . 1 . 1 28 28 GLY CA C 13 43.931 0.02 . 1 . . . . . 28 GLY CA . 27088 1 42 . 1 . 1 28 28 GLY N N 15 112.432 0.08 . 1 . . . . . 28 GLY N . 27088 1 43 . 1 . 1 29 29 THR H H 1 10.386 0.01 . 1 . . . . . 29 THR H . 27088 1 44 . 1 . 1 29 29 THR CA C 13 62.509 0.07 . 1 . . . . . 29 THR CA . 27088 1 45 . 1 . 1 29 29 THR CB C 13 70.399 0.08 . 1 . . . . . 29 THR CB . 27088 1 46 . 1 . 1 29 29 THR N N 15 122.412 0.08 . 1 . . . . . 29 THR N . 27088 1 47 . 1 . 1 30 30 GLY H H 1 9.779 0.01 . 1 . . . . . 30 GLY H . 27088 1 48 . 1 . 1 30 30 GLY CA C 13 44.657 0.14 . 1 . . . . . 30 GLY CA . 27088 1 49 . 1 . 1 30 30 GLY N N 15 115.527 0.09 . 1 . . . . . 30 GLY N . 27088 1 50 . 1 . 1 31 31 LEU H H 1 8.456 0.01 . 1 . . . . . 31 LEU H . 27088 1 51 . 1 . 1 31 31 LEU CA C 13 54.285 0.08 . 1 . . . . . 31 LEU CA . 27088 1 52 . 1 . 1 31 31 LEU CB C 13 43.645 0.66 . 1 . . . . . 31 LEU CB . 27088 1 53 . 1 . 1 31 31 LEU N N 15 127.524 0.06 . 1 . . . . . 31 LEU N . 27088 1 54 . 1 . 1 32 32 VAL H H 1 8.872 0.24 . 1 . . . . . 32 VAL H . 27088 1 55 . 1 . 1 32 32 VAL CA C 13 58.417 1.71 . 1 . . . . . 32 VAL CA . 27088 1 56 . 1 . 1 32 32 VAL CB C 13 34.645 2.38 . 1 . . . . . 32 VAL CB . 27088 1 57 . 1 . 1 32 32 VAL N N 15 119.671 0.50 . 1 . . . . . 32 VAL N . 27088 1 58 . 1 . 1 33 33 GLY H H 1 8.500 0.01 . 1 . . . . . 33 GLY H . 27088 1 59 . 1 . 1 33 33 GLY CA C 13 48.015 3.61 . 1 . . . . . 33 GLY CA . 27088 1 60 . 1 . 1 33 33 GLY N N 15 107.522 0.31 . 1 . . . . . 33 GLY N . 27088 1 61 . 1 . 1 34 34 ALA H H 1 8.292 0.02 . 1 . . . . . 34 ALA H . 27088 1 62 . 1 . 1 34 34 ALA CA C 13 48.647 0.00 . 1 . . . . . 34 ALA CA . 27088 1 63 . 1 . 1 34 34 ALA CB C 13 19.954 0.00 . 1 . . . . . 34 ALA CB . 27088 1 64 . 1 . 1 34 34 ALA N N 15 121.712 0.04 . 1 . . . . . 34 ALA N . 27088 1 65 . 1 . 1 37 37 CYS CA C 13 60.255 0.20 . 1 . . . . . 37 CYS CA . 27088 1 66 . 1 . 1 37 37 CYS CB C 13 30.611 0.11 . 1 . . . . . 37 CYS CB . 27088 1 67 . 1 . 1 38 38 GLY H H 1 8.367 0.01 . 1 . . . . . 38 GLY H . 27088 1 68 . 1 . 1 38 38 GLY CA C 13 44.401 0.02 . 1 . . . . . 38 GLY CA . 27088 1 69 . 1 . 1 38 38 GLY N N 15 104.345 0.08 . 1 . . . . . 38 GLY N . 27088 1 70 . 1 . 1 39 39 ASP H H 1 6.759 0.01 . 1 . . . . . 39 ASP H . 27088 1 71 . 1 . 1 39 39 ASP CA C 13 54.790 0.10 . 1 . . . . . 39 ASP CA . 27088 1 72 . 1 . 1 39 39 ASP CB C 13 42.630 0.09 . 1 . . . . . 39 ASP CB . 27088 1 73 . 1 . 1 39 39 ASP N N 15 118.013 0.15 . 1 . . . . . 39 ASP N . 27088 1 74 . 1 . 1 40 40 VAL H H 1 9.261 0.01 . 1 . . . . . 40 VAL H . 27088 1 75 . 1 . 1 40 40 VAL CA C 13 62.943 0.11 . 1 . . . . . 40 VAL CA . 27088 1 76 . 1 . 1 40 40 VAL CB C 13 35.236 0.34 . 1 . . . . . 40 VAL CB . 27088 1 77 . 1 . 1 40 40 VAL N N 15 123.790 0.12 . 1 . . . . . 40 VAL N . 27088 1 78 . 1 . 1 41 41 MET H H 1 9.227 0.01 . 1 . . . . . 41 MET H . 27088 1 79 . 1 . 1 41 41 MET CA C 13 54.999 0.04 . 1 . . . . . 41 MET CA . 27088 1 80 . 1 . 1 41 41 MET CB C 13 36.815 0.06 . 1 . . . . . 41 MET CB . 27088 1 81 . 1 . 1 41 41 MET N N 15 128.463 0.23 . 1 . . . . . 41 MET N . 27088 1 82 . 1 . 1 42 42 LYS H H 1 8.524 0.01 . 1 . . . . . 42 LYS H . 27088 1 83 . 1 . 1 42 42 LYS CA C 13 54.193 0.08 . 1 . . . . . 42 LYS CA . 27088 1 84 . 1 . 1 42 42 LYS CB C 13 34.939 0.06 . 1 . . . . . 42 LYS CB . 27088 1 85 . 1 . 1 42 42 LYS N N 15 128.410 0.10 . 1 . . . . . 42 LYS N . 27088 1 86 . 1 . 1 43 43 LEU H H 1 9.231 0.01 . 1 . . . . . 43 LEU H . 27088 1 87 . 1 . 1 43 43 LEU CA C 13 53.678 0.03 . 1 . . . . . 43 LEU CA . 27088 1 88 . 1 . 1 43 43 LEU CB C 13 46.678 0.04 . 1 . . . . . 43 LEU CB . 27088 1 89 . 1 . 1 43 43 LEU N N 15 128.094 0.25 . 1 . . . . . 43 LEU N . 27088 1 90 . 1 . 1 44 44 GLN H H 1 9.434 0.01 . 1 . . . . . 44 GLN H . 27088 1 91 . 1 . 1 44 44 GLN CA C 13 53.491 0.11 . 1 . . . . . 44 GLN CA . 27088 1 92 . 1 . 1 44 44 GLN CB C 13 35.074 0.10 . 1 . . . . . 44 GLN CB . 27088 1 93 . 1 . 1 44 44 GLN N N 15 123.077 0.08 . 1 . . . . . 44 GLN N . 27088 1 94 . 1 . 1 45 45 ILE H H 1 9.007 0.01 . 1 . . . . . 45 ILE H . 27088 1 95 . 1 . 1 45 45 ILE CA C 13 58.889 0.05 . 1 . . . . . 45 ILE CA . 27088 1 96 . 1 . 1 45 45 ILE CB C 13 41.917 0.08 . 1 . . . . . 45 ILE CB . 27088 1 97 . 1 . 1 45 45 ILE N N 15 115.407 0.08 . 1 . . . . . 45 ILE N . 27088 1 98 . 1 . 1 46 46 GLN H H 1 8.404 0.01 . 1 . . . . . 46 GLN H . 27088 1 99 . 1 . 1 46 46 GLN CA C 13 54.109 0.06 . 1 . . . . . 46 GLN CA . 27088 1 100 . 1 . 1 46 46 GLN CB C 13 32.033 0.10 . 1 . . . . . 46 GLN CB . 27088 1 101 . 1 . 1 46 46 GLN N N 15 123.695 0.07 . 1 . . . . . 46 GLN N . 27088 1 102 . 1 . 1 47 47 VAL H H 1 8.801 0.01 . 1 . . . . . 47 VAL H . 27088 1 103 . 1 . 1 47 47 VAL CA C 13 60.758 0.05 . 1 . . . . . 47 VAL CA . 27088 1 104 . 1 . 1 47 47 VAL CB C 13 34.417 0.16 . 1 . . . . . 47 VAL CB . 27088 1 105 . 1 . 1 47 47 VAL N N 15 128.992 0.09 . 1 . . . . . 47 VAL N . 27088 1 106 . 1 . 1 48 48 ASP H H 1 8.976 0.43 . 1 . . . . . 48 ASP H . 27088 1 107 . 1 . 1 48 48 ASP CA C 13 54.654 2.22 . 1 . . . . . 48 ASP CA . 27088 1 108 . 1 . 1 48 48 ASP CB C 13 41.263 0.05 . 1 . . . . . 48 ASP CB . 27088 1 109 . 1 . 1 48 48 ASP N N 15 125.699 4.34 . 1 . . . . . 48 ASP N . 27088 1 110 . 1 . 1 49 49 GLU H H 1 8.953 0.01 . 1 . . . . . 49 GLU H . 27088 1 111 . 1 . 1 49 49 GLU CA C 13 58.430 0.07 . 1 . . . . . 49 GLU CA . 27088 1 112 . 1 . 1 49 49 GLU CB C 13 28.864 0.06 . 1 . . . . . 49 GLU CB . 27088 1 113 . 1 . 1 49 49 GLU N N 15 116.253 0.07 . 1 . . . . . 49 GLU N . 27088 1 114 . 1 . 1 50 50 LYS H H 1 8.304 0.01 . 1 . . . . . 50 LYS H . 27088 1 115 . 1 . 1 50 50 LYS CA C 13 55.083 0.05 . 1 . . . . . 50 LYS CA . 27088 1 116 . 1 . 1 50 50 LYS CB C 13 32.365 0.04 . 1 . . . . . 50 LYS CB . 27088 1 117 . 1 . 1 50 50 LYS N N 15 119.323 0.08 . 1 . . . . . 50 LYS N . 27088 1 118 . 1 . 1 51 51 GLY H H 1 7.875 0.01 . 1 . . . . . 51 GLY H . 27088 1 119 . 1 . 1 51 51 GLY CA C 13 45.804 0.04 . 1 . . . . . 51 GLY CA . 27088 1 120 . 1 . 1 51 51 GLY N N 15 108.199 0.07 . 1 . . . . . 51 GLY N . 27088 1 121 . 1 . 1 52 52 LYS H H 1 8.514 0.00 . 1 . . . . . 52 LYS H . 27088 1 122 . 1 . 1 52 52 LYS CA C 13 54.983 0.05 . 1 . . . . . 52 LYS CA . 27088 1 123 . 1 . 1 52 52 LYS CB C 13 33.444 0.03 . 1 . . . . . 52 LYS CB . 27088 1 124 . 1 . 1 52 52 LYS N N 15 121.320 0.08 . 1 . . . . . 52 LYS N . 27088 1 125 . 1 . 1 53 53 ILE H H 1 8.945 0.01 . 1 . . . . . 53 ILE H . 27088 1 126 . 1 . 1 53 53 ILE CA C 13 62.477 0.06 . 1 . . . . . 53 ILE CA . 27088 1 127 . 1 . 1 53 53 ILE CB C 13 36.289 0.04 . 1 . . . . . 53 ILE CB . 27088 1 128 . 1 . 1 53 53 ILE N N 15 125.167 0.08 . 1 . . . . . 53 ILE N . 27088 1 129 . 1 . 1 54 54 VAL H H 1 8.719 0.01 . 1 . . . . . 54 VAL H . 27088 1 130 . 1 . 1 54 54 VAL CA C 13 61.295 0.09 . 1 . . . . . 54 VAL CA . 27088 1 131 . 1 . 1 54 54 VAL CB C 13 34.662 2.19 . 1 . . . . . 54 VAL CB . 27088 1 132 . 1 . 1 54 54 VAL N N 15 123.795 0.07 . 1 . . . . . 54 VAL N . 27088 1 133 . 1 . 1 55 55 ASP H H 1 7.957 0.03 . 1 . . . . . 55 ASP H . 27088 1 134 . 1 . 1 55 55 ASP CA C 13 53.103 0.06 . 1 . . . . . 55 ASP CA . 27088 1 135 . 1 . 1 55 55 ASP CB C 13 43.955 0.05 . 1 . . . . . 55 ASP CB . 27088 1 136 . 1 . 1 55 55 ASP N N 15 119.035 0.90 . 1 . . . . . 55 ASP N . 27088 1 137 . 1 . 1 56 56 ALA H H 1 8.665 0.01 . 1 . . . . . 56 ALA H . 27088 1 138 . 1 . 1 56 56 ALA CA C 13 51.934 0.09 . 1 . . . . . 56 ALA CA . 27088 1 139 . 1 . 1 56 56 ALA CB C 13 22.457 0.06 . 1 . . . . . 56 ALA CB . 27088 1 140 . 1 . 1 56 56 ALA N N 15 123.645 0.08 . 1 . . . . . 56 ALA N . 27088 1 141 . 1 . 1 57 57 ARG H H 1 8.864 0.01 . 1 . . . . . 57 ARG H . 27088 1 142 . 1 . 1 57 57 ARG CA C 13 53.167 0.10 . 1 . . . . . 57 ARG CA . 27088 1 143 . 1 . 1 57 57 ARG CB C 13 36.584 0.07 . 1 . . . . . 57 ARG CB . 27088 1 144 . 1 . 1 57 57 ARG N N 15 117.604 0.07 . 1 . . . . . 57 ARG N . 27088 1 145 . 1 . 1 58 58 PHE H H 1 8.644 0.01 . 1 . . . . . 58 PHE H . 27088 1 146 . 1 . 1 58 58 PHE CA C 13 55.792 0.07 . 1 . . . . . 58 PHE CA . 27088 1 147 . 1 . 1 58 58 PHE CB C 13 43.531 0.05 . 1 . . . . . 58 PHE CB . 27088 1 148 . 1 . 1 58 58 PHE N N 15 117.630 0.13 . 1 . . . . . 58 PHE N . 27088 1 149 . 1 . 1 59 59 LYS H H 1 8.860 0.01 . 1 . . . . . 59 LYS H . 27088 1 150 . 1 . 1 59 59 LYS CA C 13 56.532 0.06 . 1 . . . . . 59 LYS CA . 27088 1 151 . 1 . 1 59 59 LYS CB C 13 35.407 0.00 . 1 . . . . . 59 LYS CB . 27088 1 152 . 1 . 1 59 59 LYS N N 15 119.512 0.07 . 1 . . . . . 59 LYS N . 27088 1 153 . 1 . 1 60 60 THR H H 1 7.326 0.00 . 1 . . . . . 60 THR H . 27088 1 154 . 1 . 1 60 60 THR CA C 13 60.566 0.01 . 1 . . . . . 60 THR CA . 27088 1 155 . 1 . 1 60 60 THR CB C 13 72.245 0.02 . 1 . . . . . 60 THR CB . 27088 1 156 . 1 . 1 60 60 THR N N 15 116.619 0.00 . 1 . . . . . 60 THR N . 27088 1 157 . 1 . 1 61 61 PHE H H 1 8.987 0.01 . 1 . . . . . 61 PHE H . 27088 1 158 . 1 . 1 61 61 PHE CA C 13 55.828 0.09 . 1 . . . . . 61 PHE CA . 27088 1 159 . 1 . 1 61 61 PHE CB C 13 41.153 0.09 . 1 . . . . . 61 PHE CB . 27088 1 160 . 1 . 1 61 61 PHE N N 15 127.075 0.07 . 1 . . . . . 61 PHE N . 27088 1 161 . 1 . 1 62 62 GLY H H 1 8.361 0.38 . 1 . . . . . 62 GLY H . 27088 1 162 . 1 . 1 62 62 GLY CA C 13 45.144 0.03 . 1 . . . . . 62 GLY CA . 27088 1 163 . 1 . 1 62 62 GLY N N 15 112.902 3.69 . 1 . . . . . 62 GLY N . 27088 1 164 . 1 . 1 63 63 CYS H H 1 9.283 0.00 . 1 . . . . . 63 CYS H . 27088 1 165 . 1 . 1 63 63 CYS CA C 13 51.419 6.32 . 1 . . . . . 63 CYS CA . 27088 1 166 . 1 . 1 63 63 CYS CB C 13 31.324 0.00 . 1 . . . . . 63 CYS CB . 27088 1 167 . 1 . 1 63 63 CYS N N 15 122.144 0.04 . 1 . . . . . 63 CYS N . 27088 1 168 . 1 . 1 65 65 SER CA C 13 62.577 0.14 . 1 . . . . . 65 SER CA . 27088 1 169 . 1 . 1 65 65 SER CB C 13 64.198 0.06 . 1 . . . . . 65 SER CB . 27088 1 170 . 1 . 1 66 66 ALA H H 1 8.530 0.01 . 1 . . . . . 66 ALA H . 27088 1 171 . 1 . 1 66 66 ALA CA C 13 55.799 0.10 . 1 . . . . . 66 ALA CA . 27088 1 172 . 1 . 1 66 66 ALA CB C 13 16.496 0.03 . 1 . . . . . 66 ALA CB . 27088 1 173 . 1 . 1 66 66 ALA N N 15 132.576 0.07 . 1 . . . . . 66 ALA N . 27088 1 174 . 1 . 1 67 67 ILE H H 1 7.597 0.01 . 1 . . . . . 67 ILE H . 27088 1 175 . 1 . 1 67 67 ILE CA C 13 65.828 0.04 . 1 . . . . . 67 ILE CA . 27088 1 176 . 1 . 1 67 67 ILE CB C 13 37.716 0.07 . 1 . . . . . 67 ILE CB . 27088 1 177 . 1 . 1 67 67 ILE N N 15 122.705 0.11 . 1 . . . . . 67 ILE N . 27088 1 178 . 1 . 1 68 68 ALA H H 1 8.005 0.01 . 1 . . . . . 68 ALA H . 27088 1 179 . 1 . 1 68 68 ALA CA C 13 54.729 0.06 . 1 . . . . . 68 ALA CA . 27088 1 180 . 1 . 1 68 68 ALA CB C 13 17.937 0.13 . 1 . . . . . 68 ALA CB . 27088 1 181 . 1 . 1 68 68 ALA N N 15 121.254 0.07 . 1 . . . . . 68 ALA N . 27088 1 182 . 1 . 1 69 69 SER H H 1 7.705 0.01 . 1 . . . . . 69 SER H . 27088 1 183 . 1 . 1 69 69 SER CA C 13 62.450 0.00 . 1 . . . . . 69 SER CA . 27088 1 184 . 1 . 1 69 69 SER N N 15 112.108 0.10 . 1 . . . . . 69 SER N . 27088 1 185 . 1 . 1 71 71 SER CA C 13 57.801 0.00 . 1 . . . . . 71 SER CA . 27088 1 186 . 1 . 1 72 72 LEU H H 1 7.595 0.01 . 1 . . . . . 72 LEU H . 27088 1 187 . 1 . 1 72 72 LEU CA C 13 55.997 1.64 . 1 . . . . . 72 LEU CA . 27088 1 188 . 1 . 1 72 72 LEU CB C 13 41.837 0.12 . 1 . . . . . 72 LEU CB . 27088 1 189 . 1 . 1 72 72 LEU N N 15 119.164 0.04 . 1 . . . . . 72 LEU N . 27088 1 190 . 1 . 1 73 73 ALA H H 1 8.032 0.19 . 1 . . . . . 73 ALA H . 27088 1 191 . 1 . 1 73 73 ALA CA C 13 55.989 0.06 . 1 . . . . . 73 ALA CA . 27088 1 192 . 1 . 1 73 73 ALA CB C 13 18.214 0.06 . 1 . . . . . 73 ALA CB . 27088 1 193 . 1 . 1 73 73 ALA N N 15 119.719 3.17 . 1 . . . . . 73 ALA N . 27088 1 194 . 1 . 1 74 74 THR H H 1 7.746 0.01 . 1 . . . . . 74 THR H . 27088 1 195 . 1 . 1 74 74 THR CA C 13 65.504 0.02 . 1 . . . . . 74 THR CA . 27088 1 196 . 1 . 1 74 74 THR CB C 13 68.554 0.12 . 1 . . . . . 74 THR CB . 27088 1 197 . 1 . 1 74 74 THR N N 15 105.044 0.07 . 1 . . . . . 74 THR N . 27088 1 198 . 1 . 1 75 75 GLU H H 1 7.487 0.01 . 1 . . . . . 75 GLU H . 27088 1 199 . 1 . 1 75 75 GLU CA C 13 58.519 0.04 . 1 . . . . . 75 GLU CA . 27088 1 200 . 1 . 1 75 75 GLU CB C 13 30.121 0.01 . 1 . . . . . 75 GLU CB . 27088 1 201 . 1 . 1 75 75 GLU N N 15 119.047 0.12 . 1 . . . . . 75 GLU N . 27088 1 202 . 1 . 1 76 76 TRP H H 1 8.788 0.01 . 1 . . . . . 76 TRP H . 27088 1 203 . 1 . 1 76 76 TRP HE1 H 1 10.265 0.00 . 1 . . . . . 76 TRP HE1 . 27088 1 204 . 1 . 1 76 76 TRP CA C 13 58.815 0.02 . 1 . . . . . 76 TRP CA . 27088 1 205 . 1 . 1 76 76 TRP CB C 13 29.606 0.07 . 1 . . . . . 76 TRP CB . 27088 1 206 . 1 . 1 76 76 TRP N N 15 118.879 0.09 . 1 . . . . . 76 TRP N . 27088 1 207 . 1 . 1 76 76 TRP NE1 N 15 128.953 0.00 . 1 . . . . . 76 TRP NE1 . 27088 1 208 . 1 . 1 77 77 VAL H H 1 8.063 0.46 . 1 . . . . . 77 VAL H . 27088 1 209 . 1 . 1 77 77 VAL CA C 13 63.825 0.07 . 1 . . . . . 77 VAL CA . 27088 1 210 . 1 . 1 77 77 VAL CB C 13 32.715 1.81 . 1 . . . . . 77 VAL CB . 27088 1 211 . 1 . 1 77 77 VAL N N 15 111.395 4.73 . 1 . . . . . 77 VAL N . 27088 1 212 . 1 . 1 78 78 LYS H H 1 6.754 0.01 . 1 . . . . . 78 LYS H . 27088 1 213 . 1 . 1 78 78 LYS CA C 13 59.298 0.08 . 1 . . . . . 78 LYS CA . 27088 1 214 . 1 . 1 78 78 LYS CB C 13 32.253 0.08 . 1 . . . . . 78 LYS CB . 27088 1 215 . 1 . 1 78 78 LYS N N 15 118.147 0.10 . 1 . . . . . 78 LYS N . 27088 1 216 . 1 . 1 79 79 GLY H H 1 9.071 0.00 . 1 . . . . . 79 GLY H . 27088 1 217 . 1 . 1 79 79 GLY CA C 13 45.220 0.04 . 1 . . . . . 79 GLY CA . 27088 1 218 . 1 . 1 79 79 GLY N N 15 112.124 0.08 . 1 . . . . . 79 GLY N . 27088 1 219 . 1 . 1 80 80 LYS H H 1 7.732 0.00 . 1 . . . . . 80 LYS H . 27088 1 220 . 1 . 1 80 80 LYS CA C 13 55.049 0.00 . 1 . . . . . 80 LYS CA . 27088 1 221 . 1 . 1 80 80 LYS CB C 13 34.170 10.21 . 1 . . . . . 80 LYS CB . 27088 1 222 . 1 . 1 80 80 LYS N N 15 120.383 0.08 . 1 . . . . . 80 LYS N . 27088 1 223 . 1 . 1 81 81 THR H H 1 8.755 0.01 . 1 . . . . . 81 THR H . 27088 1 224 . 1 . 1 81 81 THR CA C 13 60.886 0.07 . 1 . . . . . 81 THR CA . 27088 1 225 . 1 . 1 81 81 THR CB C 13 71.234 0.05 . 1 . . . . . 81 THR CB . 27088 1 226 . 1 . 1 81 81 THR N N 15 110.150 0.08 . 1 . . . . . 81 THR N . 27088 1 227 . 1 . 1 82 82 VAL H H 1 8.247 0.01 . 1 . . . . . 82 VAL H . 27088 1 228 . 1 . 1 82 82 VAL CA C 13 66.954 0.08 . 1 . . . . . 82 VAL CA . 27088 1 229 . 1 . 1 82 82 VAL CB C 13 31.897 0.19 . 1 . . . . . 82 VAL CB . 27088 1 230 . 1 . 1 82 82 VAL N N 15 118.005 0.13 . 1 . . . . . 82 VAL N . 27088 1 231 . 1 . 1 83 83 GLU H H 1 8.136 0.01 . 1 . . . . . 83 GLU H . 27088 1 232 . 1 . 1 83 83 GLU CA C 13 59.854 0.06 . 1 . . . . . 83 GLU CA . 27088 1 233 . 1 . 1 83 83 GLU CB C 13 29.256 0.04 . 1 . . . . . 83 GLU CB . 27088 1 234 . 1 . 1 83 83 GLU N N 15 115.629 0.06 . 1 . . . . . 83 GLU N . 27088 1 235 . 1 . 1 84 84 GLU H H 1 7.856 0.00 . 1 . . . . . 84 GLU H . 27088 1 236 . 1 . 1 84 84 GLU CA C 13 58.544 0.07 . 1 . . . . . 84 GLU CA . 27088 1 237 . 1 . 1 84 84 GLU CB C 13 30.525 0.03 . 1 . . . . . 84 GLU CB . 27088 1 238 . 1 . 1 84 84 GLU N N 15 119.621 0.07 . 1 . . . . . 84 GLU N . 27088 1 239 . 1 . 1 85 85 ALA H H 1 8.925 0.01 . 1 . . . . . 85 ALA H . 27088 1 240 . 1 . 1 85 85 ALA CA C 13 54.941 0.08 . 1 . . . . . 85 ALA CA . 27088 1 241 . 1 . 1 85 85 ALA CB C 13 18.493 0.06 . 1 . . . . . 85 ALA CB . 27088 1 242 . 1 . 1 85 85 ALA N N 15 124.288 0.11 . 1 . . . . . 85 ALA N . 27088 1 243 . 1 . 1 86 86 LEU H H 1 7.411 0.01 . 1 . . . . . 86 LEU H . 27088 1 244 . 1 . 1 86 86 LEU CA C 13 56.517 0.06 . 1 . . . . . 86 LEU CA . 27088 1 245 . 1 . 1 86 86 LEU CB C 13 42.408 0.06 . 1 . . . . . 86 LEU CB . 27088 1 246 . 1 . 1 86 86 LEU N N 15 115.493 0.08 . 1 . . . . . 86 LEU N . 27088 1 247 . 1 . 1 87 87 THR H H 1 7.704 0.01 . 1 . . . . . 87 THR H . 27088 1 248 . 1 . 1 87 87 THR CA C 13 62.327 0.03 . 1 . . . . . 87 THR CA . 27088 1 249 . 1 . 1 87 87 THR CB C 13 70.066 0.07 . 1 . . . . . 87 THR CB . 27088 1 250 . 1 . 1 87 87 THR N N 15 107.711 0.07 . 1 . . . . . 87 THR N . 27088 1 251 . 1 . 1 88 88 ILE H H 1 7.066 0.01 . 1 . . . . . 88 ILE H . 27088 1 252 . 1 . 1 88 88 ILE CA C 13 62.189 0.05 . 1 . . . . . 88 ILE CA . 27088 1 253 . 1 . 1 88 88 ILE CB C 13 37.749 0.08 . 1 . . . . . 88 ILE CB . 27088 1 254 . 1 . 1 88 88 ILE N N 15 122.888 0.09 . 1 . . . . . 88 ILE N . 27088 1 255 . 1 . 1 89 89 LYS H H 1 8.479 0.01 . 1 . . . . . 89 LYS H . 27088 1 256 . 1 . 1 89 89 LYS CA C 13 53.781 0.05 . 1 . . . . . 89 LYS CA . 27088 1 257 . 1 . 1 89 89 LYS CB C 13 35.724 0.02 . 1 . . . . . 89 LYS CB . 27088 1 258 . 1 . 1 89 89 LYS N N 15 125.253 0.11 . 1 . . . . . 89 LYS N . 27088 1 259 . 1 . 1 90 90 ASN H H 1 9.665 0.28 . 1 . . . . . 90 ASN H . 27088 1 260 . 1 . 1 90 90 ASN CA C 13 57.113 0.02 . 1 . . . . . 90 ASN CA . 27088 1 261 . 1 . 1 90 90 ASN CB C 13 38.539 0.76 . 1 . . . . . 90 ASN CB . 27088 1 262 . 1 . 1 90 90 ASN N N 15 122.137 1.06 . 1 . . . . . 90 ASN N . 27088 1 263 . 1 . 1 91 91 THR H H 1 7.375 0.01 . 1 . . . . . 91 THR H . 27088 1 264 . 1 . 1 91 91 THR CA C 13 64.390 0.02 . 1 . . . . . 91 THR CA . 27088 1 265 . 1 . 1 91 91 THR CB C 13 67.778 0.01 . 1 . . . . . 91 THR CB . 27088 1 266 . 1 . 1 91 91 THR N N 15 110.166 0.09 . 1 . . . . . 91 THR N . 27088 1 267 . 1 . 1 92 92 ASP H H 1 7.371 0.28 . 1 . . . . . 92 ASP H . 27088 1 268 . 1 . 1 92 92 ASP CA C 13 57.641 0.13 . 1 . . . . . 92 ASP CA . 27088 1 269 . 1 . 1 92 92 ASP CB C 13 40.907 0.08 . 1 . . . . . 92 ASP CB . 27088 1 270 . 1 . 1 92 92 ASP N N 15 121.572 1.47 . 1 . . . . . 92 ASP N . 27088 1 271 . 1 . 1 93 93 ILE H H 1 7.330 0.24 . 1 . . . . . 93 ILE H . 27088 1 272 . 1 . 1 93 93 ILE CA C 13 63.545 1.28 . 1 . . . . . 93 ILE CA . 27088 1 273 . 1 . 1 93 93 ILE CB C 13 38.681 0.59 . 1 . . . . . 93 ILE CB . 27088 1 274 . 1 . 1 93 93 ILE N N 15 120.773 0.72 . 1 . . . . . 93 ILE N . 27088 1 275 . 1 . 1 94 94 ALA H H 1 8.229 0.01 . 1 . . . . . 94 ALA H . 27088 1 276 . 1 . 1 94 94 ALA CA C 13 54.247 1.78 . 1 . . . . . 94 ALA CA . 27088 1 277 . 1 . 1 94 94 ALA CB C 13 18.547 0.04 . 1 . . . . . 94 ALA CB . 27088 1 278 . 1 . 1 94 94 ALA N N 15 118.481 0.67 . 1 . . . . . 94 ALA N . 27088 1 279 . 1 . 1 95 95 LYS H H 1 7.772 0.01 . 1 . . . . . 95 LYS H . 27088 1 280 . 1 . 1 95 95 LYS CA C 13 59.032 0.08 . 1 . . . . . 95 LYS CA . 27088 1 281 . 1 . 1 95 95 LYS CB C 13 32.616 0.05 . 1 . . . . . 95 LYS CB . 27088 1 282 . 1 . 1 95 95 LYS N N 15 116.542 0.08 . 1 . . . . . 95 LYS N . 27088 1 283 . 1 . 1 96 96 GLU H H 1 7.691 0.01 . 1 . . . . . 96 GLU H . 27088 1 284 . 1 . 1 96 96 GLU CA C 13 58.827 0.07 . 1 . . . . . 96 GLU CA . 27088 1 285 . 1 . 1 96 96 GLU CB C 13 29.478 0.05 . 1 . . . . . 96 GLU CB . 27088 1 286 . 1 . 1 96 96 GLU N N 15 120.444 0.11 . 1 . . . . . 96 GLU N . 27088 1 287 . 1 . 1 97 97 LEU H H 1 7.348 0.01 . 1 . . . . . 97 LEU H . 27088 1 288 . 1 . 1 97 97 LEU CA C 13 53.885 0.11 . 1 . . . . . 97 LEU CA . 27088 1 289 . 1 . 1 97 97 LEU CB C 13 41.966 0.11 . 1 . . . . . 97 LEU CB . 27088 1 290 . 1 . 1 97 97 LEU N N 15 112.723 0.08 . 1 . . . . . 97 LEU N . 27088 1 291 . 1 . 1 98 98 CYS H H 1 7.868 0.01 . 1 . . . . . 98 CYS H . 27088 1 292 . 1 . 1 98 98 CYS CA C 13 58.584 1.30 . 1 . . . . . 98 CYS CA . 27088 1 293 . 1 . 1 98 98 CYS CB C 13 25.318 0.08 . 1 . . . . . 98 CYS CB . 27088 1 294 . 1 . 1 98 98 CYS N N 15 117.655 0.06 . 1 . . . . . 98 CYS N . 27088 1 295 . 1 . 1 99 99 LEU H H 1 7.957 0.02 . 1 . . . . . 99 LEU H . 27088 1 296 . 1 . 1 99 99 LEU CA C 13 53.261 0.00 . 1 . . . . . 99 LEU CA . 27088 1 297 . 1 . 1 99 99 LEU CB C 13 41.576 0.00 . 1 . . . . . 99 LEU CB . 27088 1 298 . 1 . 1 99 99 LEU N N 15 118.686 3.83 . 1 . . . . . 99 LEU N . 27088 1 299 . 1 . 1 101 101 PRO CA C 13 62.935 0.00 . 1 . . . . . 101 PRO CA . 27088 1 300 . 1 . 1 102 102 VAL H H 1 8.048 0.01 . 1 . . . . . 102 VAL H . 27088 1 301 . 1 . 1 102 102 VAL CA C 13 63.907 0.03 . 1 . . . . . 102 VAL CA . 27088 1 302 . 1 . 1 102 102 VAL CB C 13 31.908 0.65 . 1 . . . . . 102 VAL CB . 27088 1 303 . 1 . 1 102 102 VAL N N 15 120.197 0.18 . 1 . . . . . 102 VAL N . 27088 1 304 . 1 . 1 103 103 LYS H H 1 8.236 0.01 . 1 . . . . . 103 LYS H . 27088 1 305 . 1 . 1 103 103 LYS CA C 13 53.563 0.03 . 1 . . . . . 103 LYS CA . 27088 1 306 . 1 . 1 103 103 LYS CB C 13 33.630 0.04 . 1 . . . . . 103 LYS CB . 27088 1 307 . 1 . 1 103 103 LYS N N 15 116.661 0.10 . 1 . . . . . 103 LYS N . 27088 1 308 . 1 . 1 104 104 LEU H H 1 7.789 0.01 . 1 . . . . . 104 LEU H . 27088 1 309 . 1 . 1 104 104 LEU CA C 13 58.472 0.00 . 1 . . . . . 104 LEU CA . 27088 1 310 . 1 . 1 104 104 LEU CB C 13 40.868 0.00 . 1 . . . . . 104 LEU CB . 27088 1 311 . 1 . 1 104 104 LEU N N 15 124.058 0.11 . 1 . . . . . 104 LEU N . 27088 1 312 . 1 . 1 105 105 HIS CA C 13 59.154 0.08 . 1 . . . . . 105 HIS CA . 27088 1 313 . 1 . 1 105 105 HIS CB C 13 27.106 0.00 . 1 . . . . . 105 HIS CB . 27088 1 314 . 1 . 1 106 106 CYS H H 1 7.501 0.01 . 1 . . . . . 106 CYS H . 27088 1 315 . 1 . 1 106 106 CYS CA C 13 62.573 0.06 . 1 . . . . . 106 CYS CA . 27088 1 316 . 1 . 1 106 106 CYS CB C 13 28.152 0.00 . 1 . . . . . 106 CYS CB . 27088 1 317 . 1 . 1 106 106 CYS N N 15 120.846 0.09 . 1 . . . . . 106 CYS N . 27088 1 318 . 1 . 1 107 107 SER H H 1 7.362 0.01 . 1 . . . . . 107 SER H . 27088 1 319 . 1 . 1 107 107 SER CA C 13 60.728 0.03 . 1 . . . . . 107 SER CA . 27088 1 320 . 1 . 1 107 107 SER CB C 13 62.197 0.16 . 1 . . . . . 107 SER CB . 27088 1 321 . 1 . 1 107 107 SER N N 15 114.060 0.09 . 1 . . . . . 107 SER N . 27088 1 322 . 1 . 1 108 108 ILE H H 1 7.086 0.01 . 1 . . . . . 108 ILE H . 27088 1 323 . 1 . 1 108 108 ILE CA C 13 65.001 0.11 . 1 . . . . . 108 ILE CA . 27088 1 324 . 1 . 1 108 108 ILE CB C 13 38.658 0.03 . 1 . . . . . 108 ILE CB . 27088 1 325 . 1 . 1 108 108 ILE N N 15 125.905 0.10 . 1 . . . . . 108 ILE N . 27088 1 326 . 1 . 1 109 109 LEU H H 1 7.731 0.01 . 1 . . . . . 109 LEU H . 27088 1 327 . 1 . 1 109 109 LEU CA C 13 57.538 0.07 . 1 . . . . . 109 LEU CA . 27088 1 328 . 1 . 1 109 109 LEU CB C 13 43.575 1.69 . 1 . . . . . 109 LEU CB . 27088 1 329 . 1 . 1 109 109 LEU N N 15 119.334 0.12 . 1 . . . . . 109 LEU N . 27088 1 330 . 1 . 1 110 110 ALA H H 1 7.145 0.31 . 1 . . . . . 110 ALA H . 27088 1 331 . 1 . 1 110 110 ALA CA C 13 54.989 0.06 . 1 . . . . . 110 ALA CA . 27088 1 332 . 1 . 1 110 110 ALA CB C 13 18.289 0.04 . 1 . . . . . 110 ALA CB . 27088 1 333 . 1 . 1 110 110 ALA N N 15 116.642 0.58 . 1 . . . . . 110 ALA N . 27088 1 334 . 1 . 1 111 111 GLU H H 1 7.502 0.01 . 1 . . . . . 111 GLU H . 27088 1 335 . 1 . 1 111 111 GLU CA C 13 60.139 0.05 . 1 . . . . . 111 GLU CA . 27088 1 336 . 1 . 1 111 111 GLU CB C 13 29.460 0.00 . 1 . . . . . 111 GLU CB . 27088 1 337 . 1 . 1 111 111 GLU N N 15 117.532 0.09 . 1 . . . . . 111 GLU N . 27088 1 338 . 1 . 1 112 112 ASP H H 1 8.951 0.01 . 1 . . . . . 112 ASP H . 27088 1 339 . 1 . 1 112 112 ASP CA C 13 57.347 0.07 . 1 . . . . . 112 ASP CA . 27088 1 340 . 1 . 1 112 112 ASP CB C 13 39.465 0.03 . 1 . . . . . 112 ASP CB . 27088 1 341 . 1 . 1 112 112 ASP N N 15 119.348 0.10 . 1 . . . . . 112 ASP N . 27088 1 342 . 1 . 1 113 113 ALA H H 1 8.939 0.01 . 1 . . . . . 113 ALA H . 27088 1 343 . 1 . 1 113 113 ALA CA C 13 55.755 0.02 . 1 . . . . . 113 ALA CA . 27088 1 344 . 1 . 1 113 113 ALA CB C 13 19.017 0.07 . 1 . . . . . 113 ALA CB . 27088 1 345 . 1 . 1 113 113 ALA N N 15 124.630 0.11 . 1 . . . . . 113 ALA N . 27088 1 346 . 1 . 1 114 114 ILE H H 1 7.993 0.01 . 1 . . . . . 114 ILE H . 27088 1 347 . 1 . 1 114 114 ILE CA C 13 65.948 0.08 . 1 . . . . . 114 ILE CA . 27088 1 348 . 1 . 1 114 114 ILE CB C 13 37.988 0.06 . 1 . . . . . 114 ILE CB . 27088 1 349 . 1 . 1 114 114 ILE N N 15 119.065 0.08 . 1 . . . . . 114 ILE N . 27088 1 350 . 1 . 1 115 115 LYS H H 1 8.256 0.01 . 1 . . . . . 115 LYS H . 27088 1 351 . 1 . 1 115 115 LYS CA C 13 60.938 0.07 . 1 . . . . . 115 LYS CA . 27088 1 352 . 1 . 1 115 115 LYS CB C 13 32.186 0.05 . 1 . . . . . 115 LYS CB . 27088 1 353 . 1 . 1 115 115 LYS N N 15 117.407 0.07 . 1 . . . . . 115 LYS N . 27088 1 354 . 1 . 1 116 116 ALA H H 1 8.626 0.01 . 1 . . . . . 116 ALA H . 27088 1 355 . 1 . 1 116 116 ALA CA C 13 54.847 0.06 . 1 . . . . . 116 ALA CA . 27088 1 356 . 1 . 1 116 116 ALA CB C 13 18.292 0.04 . 1 . . . . . 116 ALA CB . 27088 1 357 . 1 . 1 116 116 ALA N N 15 122.164 0.08 . 1 . . . . . 116 ALA N . 27088 1 358 . 1 . 1 117 117 ALA H H 1 8.680 0.01 . 1 . . . . . 117 ALA H . 27088 1 359 . 1 . 1 117 117 ALA CA C 13 55.395 0.11 . 1 . . . . . 117 ALA CA . 27088 1 360 . 1 . 1 117 117 ALA CB C 13 18.201 0.06 . 1 . . . . . 117 ALA CB . 27088 1 361 . 1 . 1 117 117 ALA N N 15 124.395 0.08 . 1 . . . . . 117 ALA N . 27088 1 362 . 1 . 1 118 118 LEU H H 1 8.368 0.01 . 1 . . . . . 118 LEU H . 27088 1 363 . 1 . 1 118 118 LEU CA C 13 57.747 0.05 . 1 . . . . . 118 LEU CA . 27088 1 364 . 1 . 1 118 118 LEU CB C 13 41.367 0.01 . 1 . . . . . 118 LEU CB . 27088 1 365 . 1 . 1 118 118 LEU N N 15 117.533 0.08 . 1 . . . . . 118 LEU N . 27088 1 366 . 1 . 1 119 119 ALA H H 1 8.271 0.01 . 1 . . . . . 119 ALA H . 27088 1 367 . 1 . 1 119 119 ALA CA C 13 55.287 0.04 . 1 . . . . . 119 ALA CA . 27088 1 368 . 1 . 1 119 119 ALA CB C 13 17.931 0.03 . 1 . . . . . 119 ALA CB . 27088 1 369 . 1 . 1 119 119 ALA N N 15 122.671 0.07 . 1 . . . . . 119 ALA N . 27088 1 370 . 1 . 1 120 120 ASP H H 1 7.935 0.01 . 1 . . . . . 120 ASP H . 27088 1 371 . 1 . 1 120 120 ASP CA C 13 57.820 0.07 . 1 . . . . . 120 ASP CA . 27088 1 372 . 1 . 1 120 120 ASP CB C 13 43.725 0.18 . 1 . . . . . 120 ASP CB . 27088 1 373 . 1 . 1 120 120 ASP N N 15 119.553 0.08 . 1 . . . . . 120 ASP N . 27088 1 374 . 1 . 1 121 121 TYR H H 1 8.121 0.01 . 1 . . . . . 121 TYR H . 27088 1 375 . 1 . 1 121 121 TYR CA C 13 61.612 0.06 . 1 . . . . . 121 TYR CA . 27088 1 376 . 1 . 1 121 121 TYR CB C 13 38.182 0.09 . 1 . . . . . 121 TYR CB . 27088 1 377 . 1 . 1 121 121 TYR N N 15 117.687 0.10 . 1 . . . . . 121 TYR N . 27088 1 378 . 1 . 1 122 122 LYS H H 1 8.466 0.01 . 1 . . . . . 122 LYS H . 27088 1 379 . 1 . 1 122 122 LYS CA C 13 60.198 0.08 . 1 . . . . . 122 LYS CA . 27088 1 380 . 1 . 1 122 122 LYS CB C 13 32.254 0.00 . 1 . . . . . 122 LYS CB . 27088 1 381 . 1 . 1 122 122 LYS N N 15 119.492 0.06 . 1 . . . . . 122 LYS N . 27088 1 382 . 1 . 1 123 123 LEU H H 1 8.020 0.01 . 1 . . . . . 123 LEU H . 27088 1 383 . 1 . 1 123 123 LEU CA C 13 57.660 0.05 . 1 . . . . . 123 LEU CA . 27088 1 384 . 1 . 1 123 123 LEU CB C 13 41.956 0.07 . 1 . . . . . 123 LEU CB . 27088 1 385 . 1 . 1 123 123 LEU N N 15 120.572 0.10 . 1 . . . . . 123 LEU N . 27088 1 386 . 1 . 1 124 124 LYS H H 1 7.542 0.01 . 1 . . . . . 124 LYS H . 27088 1 387 . 1 . 1 124 124 LYS CA C 13 58.341 0.10 . 1 . . . . . 124 LYS CA . 27088 1 388 . 1 . 1 124 124 LYS CB C 13 33.413 0.06 . 1 . . . . . 124 LYS CB . 27088 1 389 . 1 . 1 124 124 LYS N N 15 117.070 0.09 . 1 . . . . . 124 LYS N . 27088 1 390 . 1 . 1 125 125 GLN H H 1 7.353 0.01 . 1 . . . . . 125 GLN H . 27088 1 391 . 1 . 1 125 125 GLN CA C 13 54.279 0.06 . 1 . . . . . 125 GLN CA . 27088 1 392 . 1 . 1 125 125 GLN CB C 13 27.947 0.07 . 1 . . . . . 125 GLN CB . 27088 1 393 . 1 . 1 125 125 GLN N N 15 114.398 0.07 . 1 . . . . . 125 GLN N . 27088 1 394 . 1 . 1 126 126 GLU H H 1 7.641 0.01 . 1 . . . . . 126 GLU H . 27088 1 395 . 1 . 1 126 126 GLU CA C 13 54.688 0.00 . 1 . . . . . 126 GLU CA . 27088 1 396 . 1 . 1 126 126 GLU CB C 13 29.797 0.00 . 1 . . . . . 126 GLU CB . 27088 1 397 . 1 . 1 126 126 GLU N N 15 121.017 0.09 . 1 . . . . . 126 GLU N . 27088 1 398 . 1 . 1 127 127 PRO CA C 13 63.035 0.00 . 1 . . . . . 127 PRO CA . 27088 1 399 . 1 . 1 127 127 PRO CB C 13 32.067 0.00 . 1 . . . . . 127 PRO CB . 27088 1 400 . 1 . 1 128 128 LYS H H 1 8.467 0.01 . 1 . . . . . 128 LYS H . 27088 1 401 . 1 . 1 128 128 LYS CA C 13 56.006 0.03 . 1 . . . . . 128 LYS CA . 27088 1 402 . 1 . 1 128 128 LYS CB C 13 32.930 0.01 . 1 . . . . . 128 LYS CB . 27088 1 403 . 1 . 1 128 128 LYS N N 15 121.904 0.08 . 1 . . . . . 128 LYS N . 27088 1 404 . 1 . 1 129 129 LYS H H 1 8.465 0.01 . 1 . . . . . 129 LYS H . 27088 1 405 . 1 . 1 129 129 LYS CA C 13 56.508 0.00 . 1 . . . . . 129 LYS CA . 27088 1 406 . 1 . 1 129 129 LYS CB C 13 33.052 0.00 . 1 . . . . . 129 LYS CB . 27088 1 407 . 1 . 1 129 129 LYS N N 15 123.453 0.10 . 1 . . . . . 129 LYS N . 27088 1 408 . 1 . 1 130 130 GLY CA C 13 45.276 0.01 . 1 . . . . . 130 GLY CA . 27088 1 409 . 1 . 1 131 131 GLU H H 1 8.258 0.01 . 1 . . . . . 131 GLU H . 27088 1 410 . 1 . 1 131 131 GLU CA C 13 58.031 2.47 . 1 . . . . . 131 GLU CA . 27088 1 411 . 1 . 1 131 131 GLU CB C 13 30.511 0.04 . 1 . . . . . 131 GLU CB . 27088 1 412 . 1 . 1 131 131 GLU N N 15 120.656 0.10 . 1 . . . . . 131 GLU N . 27088 1 413 . 1 . 1 132 132 ALA H H 1 8.384 0.01 . 1 . . . . . 132 ALA H . 27088 1 414 . 1 . 1 132 132 ALA CA C 13 52.586 0.05 . 1 . . . . . 132 ALA CA . 27088 1 415 . 1 . 1 132 132 ALA CB C 13 19.282 0.04 . 1 . . . . . 132 ALA CB . 27088 1 416 . 1 . 1 132 132 ALA N N 15 124.547 0.12 . 1 . . . . . 132 ALA N . 27088 1 417 . 1 . 1 133 133 GLU H H 1 8.317 0.01 . 1 . . . . . 133 GLU H . 27088 1 418 . 1 . 1 133 133 GLU CA C 13 56.517 0.09 . 1 . . . . . 133 GLU CA . 27088 1 419 . 1 . 1 133 133 GLU CB C 13 30.429 0.04 . 1 . . . . . 133 GLU CB . 27088 1 420 . 1 . 1 133 133 GLU N N 15 120.078 0.08 . 1 . . . . . 133 GLU N . 27088 1 421 . 1 . 1 134 134 LYS H H 1 8.300 0.01 . 1 . . . . . 134 LYS H . 27088 1 422 . 1 . 1 134 134 LYS CA C 13 56.286 0.09 . 1 . . . . . 134 LYS CA . 27088 1 423 . 1 . 1 134 134 LYS CB C 13 32.904 0.03 . 1 . . . . . 134 LYS CB . 27088 1 424 . 1 . 1 134 134 LYS N N 15 123.490 0.08 . 1 . . . . . 134 LYS N . 27088 1 425 . 1 . 1 135 135 LYS H H 1 8.009 0.01 . 1 . . . . . 135 LYS H . 27088 1 426 . 1 . 1 135 135 LYS CA C 13 57.628 0.00 . 1 . . . . . 135 LYS CA . 27088 1 427 . 1 . 1 135 135 LYS CB C 13 33.721 0.00 . 1 . . . . . 135 LYS CB . 27088 1 428 . 1 . 1 135 135 LYS N N 15 128.722 0.09 . 1 . . . . . 135 LYS N . 27088 1 stop_ save_