################################### # 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 27347 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 27347 1 2 '3D CBCA(CO)NH' . . . 27347 1 3 '3D HNCA' . . . 27347 1 4 '3D HNCACB' . . . 27347 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 27347 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 2 2 PRO CA C 13 64.733 0.03 . . . . . . . 2 PRO CA . 27347 1 2 . 1 . 1 2 2 PRO CB C 13 32.233 0.01 . . . . . . . 2 PRO CB . 27347 1 3 . 1 . 1 3 3 LEU H H 1 8.601 0.00 . . . . . . . 3 LEU H . 27347 1 4 . 1 . 1 3 3 LEU CA C 13 57.483 0.04 . . . . . . . 3 LEU CA . 27347 1 5 . 1 . 1 3 3 LEU CB C 13 41.395 0.01 . . . . . . . 3 LEU CB . 27347 1 6 . 1 . 1 3 3 LEU N N 15 120.172 0.00 . . . . . . . 3 LEU N . 27347 1 7 . 1 . 1 4 4 GLU H H 1 8.202 0.00 . . . . . . . 4 GLU H . 27347 1 8 . 1 . 1 4 4 GLU CA C 13 60.116 0.01 . . . . . . . 4 GLU CA . 27347 1 9 . 1 . 1 4 4 GLU CB C 13 28.677 0.01 . . . . . . . 4 GLU CB . 27347 1 10 . 1 . 1 4 4 GLU N N 15 120.275 0.00 . . . . . . . 4 GLU N . 27347 1 11 . 1 . 1 5 5 ASP H H 1 8.316 0.00 . . . . . . . 5 ASP H . 27347 1 12 . 1 . 1 5 5 ASP CA C 13 56.658 0.07 . . . . . . . 5 ASP CA . 27347 1 13 . 1 . 1 5 5 ASP CB C 13 40.162 0.04 . . . . . . . 5 ASP CB . 27347 1 14 . 1 . 1 5 5 ASP N N 15 120.013 0.00 . . . . . . . 5 ASP N . 27347 1 15 . 1 . 1 6 6 GLN H H 1 8.080 0.00 . . . . . . . 6 GLN H . 27347 1 16 . 1 . 1 6 6 GLN N N 15 120.254 0.00 . . . . . . . 6 GLN N . 27347 1 17 . 1 . 1 7 7 GLU CA C 13 60.123 0.00 . . . . . . . 7 GLU CA . 27347 1 18 . 1 . 1 7 7 GLU CB C 13 30.089 0.00 . . . . . . . 7 GLU CB . 27347 1 19 . 1 . 1 8 8 GLU H H 1 8.300 0.00 . . . . . . . 8 GLU H . 27347 1 20 . 1 . 1 8 8 GLU CA C 13 58.578 0.00 . . . . . . . 8 GLU CA . 27347 1 21 . 1 . 1 8 8 GLU CB C 13 28.923 0.16 . . . . . . . 8 GLU CB . 27347 1 22 . 1 . 1 8 8 GLU N N 15 117.417 0.00 . . . . . . . 8 GLU N . 27347 1 23 . 1 . 1 9 9 ASN H H 1 8.227 0.00 . . . . . . . 9 ASN H . 27347 1 24 . 1 . 1 9 9 ASN CA C 13 56.841 0.04 . . . . . . . 9 ASN CA . 27347 1 25 . 1 . 1 9 9 ASN CB C 13 38.298 0.03 . . . . . . . 9 ASN CB . 27347 1 26 . 1 . 1 9 9 ASN N N 15 118.797 0.00 . . . . . . . 9 ASN N . 27347 1 27 . 1 . 1 10 10 THR H H 1 7.982 0.00 . . . . . . . 10 THR H . 27347 1 28 . 1 . 1 10 10 THR CA C 13 67.231 0.08 . . . . . . . 10 THR CA . 27347 1 29 . 1 . 1 10 10 THR CB C 13 68.980 0.00 . . . . . . . 10 THR CB . 27347 1 30 . 1 . 1 10 10 THR N N 15 118.950 0.00 . . . . . . . 10 THR N . 27347 1 31 . 1 . 1 11 11 LEU H H 1 8.135 0.00 . . . . . . . 11 LEU H . 27347 1 32 . 1 . 1 11 11 LEU CA C 13 57.839 0.02 . . . . . . . 11 LEU CA . 27347 1 33 . 1 . 1 11 11 LEU CB C 13 40.648 0.12 . . . . . . . 11 LEU CB . 27347 1 34 . 1 . 1 11 11 LEU N N 15 119.833 0.04 . . . . . . . 11 LEU N . 27347 1 35 . 1 . 1 12 12 ARG H H 1 8.569 0.00 . . . . . . . 12 ARG H . 27347 1 36 . 1 . 1 12 12 ARG N N 15 121.260 0.00 . . . . . . . 12 ARG N . 27347 1 37 . 1 . 1 13 13 GLU CA C 13 59.569 0.00 . . . . . . . 13 GLU CA . 27347 1 38 . 1 . 1 13 13 GLU CB C 13 29.011 0.00 . . . . . . . 13 GLU CB . 27347 1 39 . 1 . 1 14 14 LEU H H 1 8.494 0.00 . . . . . . . 14 LEU H . 27347 1 40 . 1 . 1 14 14 LEU CA C 13 58.507 0.02 . . . . . . . 14 LEU CA . 27347 1 41 . 1 . 1 14 14 LEU CB C 13 40.544 0.06 . . . . . . . 14 LEU CB . 27347 1 42 . 1 . 1 14 14 LEU N N 15 121.496 0.01 . . . . . . . 14 LEU N . 27347 1 43 . 1 . 1 15 15 ARG H H 1 8.602 0.00 . . . . . . . 15 ARG H . 27347 1 44 . 1 . 1 15 15 ARG CA C 13 61.500 0.03 . . . . . . . 15 ARG CA . 27347 1 45 . 1 . 1 15 15 ARG CB C 13 30.594 0.10 . . . . . . . 15 ARG CB . 27347 1 46 . 1 . 1 15 15 ARG N N 15 118.716 0.03 . . . . . . . 15 ARG N . 27347 1 47 . 1 . 1 16 16 LEU H H 1 8.023 0.00 . . . . . . . 16 LEU H . 27347 1 48 . 1 . 1 16 16 LEU CA C 13 58.449 0.09 . . . . . . . 16 LEU CA . 27347 1 49 . 1 . 1 16 16 LEU CB C 13 41.549 0.27 . . . . . . . 16 LEU CB . 27347 1 50 . 1 . 1 16 16 LEU N N 15 118.942 0.03 . . . . . . . 16 LEU N . 27347 1 51 . 1 . 1 17 17 PHE H H 1 7.787 0.00 . . . . . . . 17 PHE H . 27347 1 52 . 1 . 1 17 17 PHE CA C 13 60.392 0.03 . . . . . . . 17 PHE CA . 27347 1 53 . 1 . 1 17 17 PHE CB C 13 38.844 0.00 . . . . . . . 17 PHE CB . 27347 1 54 . 1 . 1 17 17 PHE N N 15 120.949 0.00 . . . . . . . 17 PHE N . 27347 1 55 . 1 . 1 18 18 LEU H H 1 9.041 0.00 . . . . . . . 18 LEU H . 27347 1 56 . 1 . 1 18 18 LEU CA C 13 57.216 0.05 . . . . . . . 18 LEU CA . 27347 1 57 . 1 . 1 18 18 LEU CB C 13 40.772 0.00 . . . . . . . 18 LEU CB . 27347 1 58 . 1 . 1 18 18 LEU N N 15 117.333 0.03 . . . . . . . 18 LEU N . 27347 1 59 . 1 . 1 19 19 ARG H H 1 8.895 0.00 . . . . . . . 19 ARG H . 27347 1 60 . 1 . 1 19 19 ARG CA C 13 60.358 0.03 . . . . . . . 19 ARG CA . 27347 1 61 . 1 . 1 19 19 ARG CB C 13 30.420 0.06 . . . . . . . 19 ARG CB . 27347 1 62 . 1 . 1 19 19 ARG N N 15 122.732 0.02 . . . . . . . 19 ARG N . 27347 1 63 . 1 . 1 20 20 ASP H H 1 7.494 0.00 . . . . . . . 20 ASP H . 27347 1 64 . 1 . 1 20 20 ASP N N 15 120.645 0.03 . . . . . . . 20 ASP N . 27347 1 65 . 1 . 1 21 21 VAL CA C 13 67.349 0.06 . . . . . . . 21 VAL CA . 27347 1 66 . 1 . 1 21 21 VAL CB C 13 31.466 0.00 . . . . . . . 21 VAL CB . 27347 1 67 . 1 . 1 22 22 THR H H 1 8.235 0.00 . . . . . . . 22 THR H . 27347 1 68 . 1 . 1 22 22 THR CA C 13 68.890 0.00 . . . . . . . 22 THR CA . 27347 1 69 . 1 . 1 22 22 THR N N 15 114.328 0.04 . . . . . . . 22 THR N . 27347 1 70 . 1 . 1 23 23 LYS H H 1 8.341 0.00 . . . . . . . 23 LYS H . 27347 1 71 . 1 . 1 23 23 LYS CA C 13 60.073 0.05 . . . . . . . 23 LYS CA . 27347 1 72 . 1 . 1 23 23 LYS CB C 13 31.919 0.05 . . . . . . . 23 LYS CB . 27347 1 73 . 1 . 1 23 23 LYS N N 15 122.267 0.05 . . . . . . . 23 LYS N . 27347 1 74 . 1 . 1 24 24 ARG H H 1 7.925 0.00 . . . . . . . 24 ARG H . 27347 1 75 . 1 . 1 24 24 ARG CA C 13 60.014 0.06 . . . . . . . 24 ARG CA . 27347 1 76 . 1 . 1 24 24 ARG CB C 13 30.796 0.10 . . . . . . . 24 ARG CB . 27347 1 77 . 1 . 1 24 24 ARG N N 15 120.299 0.00 . . . . . . . 24 ARG N . 27347 1 78 . 1 . 1 25 25 LEU H H 1 8.018 0.00 . . . . . . . 25 LEU H . 27347 1 79 . 1 . 1 25 25 LEU CA C 13 57.643 0.04 . . . . . . . 25 LEU CA . 27347 1 80 . 1 . 1 25 25 LEU CB C 13 41.798 0.13 . . . . . . . 25 LEU CB . 27347 1 81 . 1 . 1 25 25 LEU N N 15 118.666 0.18 . . . . . . . 25 LEU N . 27347 1 82 . 1 . 1 26 26 ALA H H 1 8.968 0.00 . . . . . . . 26 ALA H . 27347 1 83 . 1 . 1 26 26 ALA CA C 13 54.492 0.02 . . . . . . . 26 ALA CA . 27347 1 84 . 1 . 1 26 26 ALA CB C 13 18.592 0.01 . . . . . . . 26 ALA CB . 27347 1 85 . 1 . 1 26 26 ALA N N 15 117.483 0.00 . . . . . . . 26 ALA N . 27347 1 86 . 1 . 1 27 27 THR H H 1 7.640 0.00 . . . . . . . 27 THR H . 27347 1 87 . 1 . 1 27 27 THR CA C 13 61.887 0.04 . . . . . . . 27 THR CA . 27347 1 88 . 1 . 1 27 27 THR CB C 13 69.916 0.01 . . . . . . . 27 THR CB . 27347 1 89 . 1 . 1 27 27 THR N N 15 106.425 0.00 . . . . . . . 27 THR N . 27347 1 90 . 1 . 1 28 28 ASP H H 1 7.225 0.00 . . . . . . . 28 ASP H . 27347 1 91 . 1 . 1 28 28 ASP N N 15 125.434 0.00 . . . . . . . 28 ASP N . 27347 1 92 . 1 . 1 29 29 LYS CA C 13 59.099 0.03 . . . . . . . 29 LYS CA . 27347 1 93 . 1 . 1 29 29 LYS CB C 13 31.998 0.04 . . . . . . . 29 LYS CB . 27347 1 94 . 1 . 1 30 30 ARG H H 1 8.683 0.00 . . . . . . . 30 ARG H . 27347 1 95 . 1 . 1 30 30 ARG CA C 13 58.271 0.03 . . . . . . . 30 ARG CA . 27347 1 96 . 1 . 1 30 30 ARG CB C 13 30.909 0.08 . . . . . . . 30 ARG CB . 27347 1 97 . 1 . 1 30 30 ARG N N 15 116.966 0.00 . . . . . . . 30 ARG N . 27347 1 98 . 1 . 1 31 31 PHE H H 1 7.500 0.00 . . . . . . . 31 PHE H . 27347 1 99 . 1 . 1 31 31 PHE CA C 13 53.224 0.03 . . . . . . . 31 PHE CA . 27347 1 100 . 1 . 1 31 31 PHE CB C 13 37.779 0.00 . . . . . . . 31 PHE CB . 27347 1 101 . 1 . 1 31 31 PHE N N 15 113.994 0.06 . . . . . . . 31 PHE N . 27347 1 102 . 1 . 1 32 32 ASN H H 1 7.583 0.00 . . . . . . . 32 ASN H . 27347 1 103 . 1 . 1 32 32 ASN N N 15 121.177 0.00 . . . . . . . 32 ASN N . 27347 1 104 . 1 . 1 33 33 ILE CA C 13 63.460 0.02 . . . . . . . 33 ILE CA . 27347 1 105 . 1 . 1 33 33 ILE CB C 13 37.698 0.00 . . . . . . . 33 ILE CB . 27347 1 106 . 1 . 1 34 34 PHE H H 1 7.795 0.00 . . . . . . . 34 PHE H . 27347 1 107 . 1 . 1 34 34 PHE CA C 13 56.482 0.03 . . . . . . . 34 PHE CA . 27347 1 108 . 1 . 1 34 34 PHE CB C 13 38.502 0.28 . . . . . . . 34 PHE CB . 27347 1 109 . 1 . 1 34 34 PHE N N 15 119.292 0.00 . . . . . . . 34 PHE N . 27347 1 110 . 1 . 1 35 35 SER H H 1 8.048 0.00 . . . . . . . 35 SER H . 27347 1 111 . 1 . 1 35 35 SER CA C 13 61.161 0.03 . . . . . . . 35 SER CA . 27347 1 112 . 1 . 1 35 35 SER CB C 13 64.201 0.01 . . . . . . . 35 SER CB . 27347 1 113 . 1 . 1 35 35 SER N N 15 115.057 0.01 . . . . . . . 35 SER N . 27347 1 114 . 1 . 1 36 36 LYS H H 1 7.673 0.00 . . . . . . . 36 LYS H . 27347 1 115 . 1 . 1 36 36 LYS N N 15 120.303 0.00 . . . . . . . 36 LYS N . 27347 1 116 . 1 . 1 37 37 PRO CA C 13 62.569 0.03 . . . . . . . 37 PRO CA . 27347 1 117 . 1 . 1 37 37 PRO CB C 13 31.988 0.00 . . . . . . . 37 PRO CB . 27347 1 118 . 1 . 1 38 38 VAL H H 1 8.315 0.00 . . . . . . . 38 VAL H . 27347 1 119 . 1 . 1 38 38 VAL CA C 13 64.068 0.03 . . . . . . . 38 VAL CA . 27347 1 120 . 1 . 1 38 38 VAL CB C 13 32.020 0.05 . . . . . . . 38 VAL CB . 27347 1 121 . 1 . 1 38 38 VAL N N 15 124.775 0.01 . . . . . . . 38 VAL N . 27347 1 122 . 1 . 1 39 39 ASP H H 1 8.486 0.00 . . . . . . . 39 ASP H . 27347 1 123 . 1 . 1 39 39 ASP CA C 13 53.394 0.01 . . . . . . . 39 ASP CA . 27347 1 124 . 1 . 1 39 39 ASP CB C 13 40.955 0.17 . . . . . . . 39 ASP CB . 27347 1 125 . 1 . 1 39 39 ASP N N 15 127.276 0.06 . . . . . . . 39 ASP N . 27347 1 126 . 1 . 1 40 40 ILE H H 1 7.958 0.00 . . . . . . . 40 ILE H . 27347 1 127 . 1 . 1 40 40 ILE CA C 13 62.482 0.07 . . . . . . . 40 ILE CA . 27347 1 128 . 1 . 1 40 40 ILE CB C 13 37.563 0.02 . . . . . . . 40 ILE CB . 27347 1 129 . 1 . 1 40 40 ILE N N 15 123.213 0.00 . . . . . . . 40 ILE N . 27347 1 130 . 1 . 1 41 41 GLU H H 1 8.349 0.00 . . . . . . . 41 GLU H . 27347 1 131 . 1 . 1 41 41 GLU CA C 13 58.130 0.03 . . . . . . . 41 GLU CA . 27347 1 132 . 1 . 1 41 41 GLU CB C 13 29.402 0.01 . . . . . . . 41 GLU CB . 27347 1 133 . 1 . 1 41 41 GLU N N 15 120.176 0.00 . . . . . . . 41 GLU N . 27347 1 134 . 1 . 1 42 42 GLU H H 1 7.445 0.00 . . . . . . . 42 GLU H . 27347 1 135 . 1 . 1 42 42 GLU CA C 13 57.353 0.00 . . . . . . . 42 GLU CA . 27347 1 136 . 1 . 1 42 42 GLU CB C 13 30.986 0.02 . . . . . . . 42 GLU CB . 27347 1 137 . 1 . 1 42 42 GLU N N 15 118.466 0.00 . . . . . . . 42 GLU N . 27347 1 138 . 1 . 1 43 43 VAL H H 1 8.210 0.00 . . . . . . . 43 VAL H . 27347 1 139 . 1 . 1 43 43 VAL CA C 13 61.124 0.05 . . . . . . . 43 VAL CA . 27347 1 140 . 1 . 1 43 43 VAL CB C 13 29.970 0.03 . . . . . . . 43 VAL CB . 27347 1 141 . 1 . 1 43 43 VAL N N 15 121.400 0.00 . . . . . . . 43 VAL N . 27347 1 142 . 1 . 1 44 44 SER H H 1 7.916 0.00 . . . . . . . 44 SER H . 27347 1 143 . 1 . 1 44 44 SER CA C 13 61.214 0.06 . . . . . . . 44 SER CA . 27347 1 144 . 1 . 1 44 44 SER CB C 13 63.574 0.09 . . . . . . . 44 SER CB . 27347 1 145 . 1 . 1 44 44 SER N N 15 117.245 0.02 . . . . . . . 44 SER N . 27347 1 146 . 1 . 1 45 45 ASP H H 1 8.413 0.00 . . . . . . . 45 ASP H . 27347 1 147 . 1 . 1 45 45 ASP CA C 13 53.380 0.01 . . . . . . . 45 ASP CA . 27347 1 148 . 1 . 1 45 45 ASP CB C 13 40.657 0.02 . . . . . . . 45 ASP CB . 27347 1 149 . 1 . 1 45 45 ASP N N 15 120.163 0.04 . . . . . . . 45 ASP N . 27347 1 150 . 1 . 1 46 46 TYR H H 1 7.803 0.00 . . . . . . . 46 TYR H . 27347 1 151 . 1 . 1 46 46 TYR CA C 13 63.326 0.12 . . . . . . . 46 TYR CA . 27347 1 152 . 1 . 1 46 46 TYR CB C 13 39.201 0.00 . . . . . . . 46 TYR CB . 27347 1 153 . 1 . 1 46 46 TYR N N 15 121.863 0.00 . . . . . . . 46 TYR N . 27347 1 154 . 1 . 1 47 47 LEU H H 1 8.373 0.00 . . . . . . . 47 LEU H . 27347 1 155 . 1 . 1 47 47 LEU CA C 13 55.301 0.01 . . . . . . . 47 LEU CA . 27347 1 156 . 1 . 1 47 47 LEU CB C 13 40.389 0.07 . . . . . . . 47 LEU CB . 27347 1 157 . 1 . 1 47 47 LEU N N 15 113.139 0.02 . . . . . . . 47 LEU N . 27347 1 158 . 1 . 1 48 48 GLU H H 1 7.559 0.00 . . . . . . . 48 GLU H . 27347 1 159 . 1 . 1 48 48 GLU CA C 13 57.561 0.02 . . . . . . . 48 GLU CA . 27347 1 160 . 1 . 1 48 48 GLU CB C 13 29.567 0.01 . . . . . . . 48 GLU CB . 27347 1 161 . 1 . 1 48 48 GLU N N 15 117.693 0.03 . . . . . . . 48 GLU N . 27347 1 162 . 1 . 1 49 49 VAL H H 1 7.200 0.00 . . . . . . . 49 VAL H . 27347 1 163 . 1 . 1 49 49 VAL CA C 13 63.925 0.12 . . . . . . . 49 VAL CA . 27347 1 164 . 1 . 1 49 49 VAL CB C 13 34.353 0.02 . . . . . . . 49 VAL CB . 27347 1 165 . 1 . 1 49 49 VAL N N 15 117.724 0.00 . . . . . . . 49 VAL N . 27347 1 166 . 1 . 1 50 50 ILE H H 1 8.225 0.01 . . . . . . . 50 ILE H . 27347 1 167 . 1 . 1 50 50 ILE CA C 13 57.257 0.05 . . . . . . . 50 ILE CA . 27347 1 168 . 1 . 1 50 50 ILE CB C 13 35.457 0.03 . . . . . . . 50 ILE CB . 27347 1 169 . 1 . 1 50 50 ILE N N 15 121.642 0.15 . . . . . . . 50 ILE N . 27347 1 170 . 1 . 1 51 51 LYS H H 1 7.796 0.00 . . . . . . . 51 LYS H . 27347 1 171 . 1 . 1 51 51 LYS CA C 13 57.328 0.03 . . . . . . . 51 LYS CA . 27347 1 172 . 1 . 1 51 51 LYS CB C 13 32.766 0.20 . . . . . . . 51 LYS CB . 27347 1 173 . 1 . 1 51 51 LYS N N 15 124.177 0.08 . . . . . . . 51 LYS N . 27347 1 174 . 1 . 1 52 52 GLU H H 1 8.455 0.00 . . . . . . . 52 GLU H . 27347 1 175 . 1 . 1 52 52 GLU N N 15 119.370 0.00 . . . . . . . 52 GLU N . 27347 1 176 . 1 . 1 55 55 ASP CA C 13 53.651 0.00 . . . . . . . 55 ASP CA . 27347 1 177 . 1 . 1 55 55 ASP CB C 13 43.639 0.10 . . . . . . . 55 ASP CB . 27347 1 178 . 1 . 1 56 56 LEU H H 1 9.277 0.00 . . . . . . . 56 LEU H . 27347 1 179 . 1 . 1 56 56 LEU CA C 13 58.582 0.09 . . . . . . . 56 LEU CA . 27347 1 180 . 1 . 1 56 56 LEU CB C 13 42.176 0.05 . . . . . . . 56 LEU CB . 27347 1 181 . 1 . 1 56 56 LEU N N 15 118.307 0.00 . . . . . . . 56 LEU N . 27347 1 182 . 1 . 1 57 57 SER H H 1 8.715 0.00 . . . . . . . 57 SER H . 27347 1 183 . 1 . 1 57 57 SER CA C 13 62.541 0.00 . . . . . . . 57 SER CA . 27347 1 184 . 1 . 1 57 57 SER CB C 13 62.311 0.00 . . . . . . . 57 SER CB . 27347 1 185 . 1 . 1 57 57 SER N N 15 118.357 0.04 . . . . . . . 57 SER N . 27347 1 186 . 1 . 1 58 58 THR H H 1 7.876 0.00 . . . . . . . 58 THR H . 27347 1 187 . 1 . 1 58 58 THR CA C 13 66.885 0.01 . . . . . . . 58 THR CA . 27347 1 188 . 1 . 1 58 58 THR CB C 13 67.666 0.13 . . . . . . . 58 THR CB . 27347 1 189 . 1 . 1 58 58 THR N N 15 124.565 0.00 . . . . . . . 58 THR N . 27347 1 190 . 1 . 1 59 59 VAL H H 1 7.762 0.00 . . . . . . . 59 VAL H . 27347 1 191 . 1 . 1 59 59 VAL CA C 13 66.816 0.03 . . . . . . . 59 VAL CA . 27347 1 192 . 1 . 1 59 59 VAL CB C 13 31.608 0.07 . . . . . . . 59 VAL CB . 27347 1 193 . 1 . 1 59 59 VAL N N 15 123.567 0.13 . . . . . . . 59 VAL N . 27347 1 194 . 1 . 1 60 60 ILE H H 1 7.714 0.00 . . . . . . . 60 ILE H . 27347 1 195 . 1 . 1 60 60 ILE CA C 13 65.953 0.25 . . . . . . . 60 ILE CA . 27347 1 196 . 1 . 1 60 60 ILE CB C 13 37.070 0.07 . . . . . . . 60 ILE CB . 27347 1 197 . 1 . 1 60 60 ILE N N 15 118.565 0.02 . . . . . . . 60 ILE N . 27347 1 198 . 1 . 1 61 61 THR H H 1 7.647 0.00 . . . . . . . 61 THR H . 27347 1 199 . 1 . 1 61 61 THR CA C 13 68.838 0.00 . . . . . . . 61 THR CA . 27347 1 200 . 1 . 1 61 61 THR CB C 13 68.896 0.06 . . . . . . . 61 THR CB . 27347 1 201 . 1 . 1 61 61 THR N N 15 115.055 0.03 . . . . . . . 61 THR N . 27347 1 202 . 1 . 1 62 62 LYS H H 1 8.341 0.00 . . . . . . . 62 LYS H . 27347 1 203 . 1 . 1 62 62 LYS CA C 13 60.849 0.01 . . . . . . . 62 LYS CA . 27347 1 204 . 1 . 1 62 62 LYS CB C 13 30.979 0.05 . . . . . . . 62 LYS CB . 27347 1 205 . 1 . 1 62 62 LYS N N 15 122.221 0.00 . . . . . . . 62 LYS N . 27347 1 206 . 1 . 1 63 63 ILE H H 1 8.690 0.00 . . . . . . . 63 ILE H . 27347 1 207 . 1 . 1 63 63 ILE CA C 13 65.493 0.02 . . . . . . . 63 ILE CA . 27347 1 208 . 1 . 1 63 63 ILE N N 15 121.595 0.02 . . . . . . . 63 ILE N . 27347 1 209 . 1 . 1 64 64 ASP H H 1 8.048 0.00 . . . . . . . 64 ASP H . 27347 1 210 . 1 . 1 64 64 ASP CA C 13 57.132 0.23 . . . . . . . 64 ASP CA . 27347 1 211 . 1 . 1 64 64 ASP CB C 13 40.022 0.11 . . . . . . . 64 ASP CB . 27347 1 212 . 1 . 1 64 64 ASP N N 15 120.566 0.01 . . . . . . . 64 ASP N . 27347 1 213 . 1 . 1 65 65 LYS H H 1 7.844 0.00 . . . . . . . 65 LYS H . 27347 1 214 . 1 . 1 65 65 LYS CA C 13 56.229 0.07 . . . . . . . 65 LYS CA . 27347 1 215 . 1 . 1 65 65 LYS CB C 13 31.916 0.05 . . . . . . . 65 LYS CB . 27347 1 216 . 1 . 1 65 65 LYS N N 15 118.247 0.08 . . . . . . . 65 LYS N . 27347 1 217 . 1 . 1 66 66 HIS H H 1 8.153 0.00 . . . . . . . 66 HIS H . 27347 1 218 . 1 . 1 66 66 HIS CA C 13 56.299 0.00 . . . . . . . 66 HIS CA . 27347 1 219 . 1 . 1 66 66 HIS CB C 13 26.299 0.00 . . . . . . . 66 HIS CB . 27347 1 220 . 1 . 1 66 66 HIS N N 15 112.785 0.00 . . . . . . . 66 HIS N . 27347 1 221 . 1 . 1 67 67 ASN H H 1 8.145 0.00 . . . . . . . 67 ASN H . 27347 1 222 . 1 . 1 67 67 ASN CA C 13 55.642 0.00 . . . . . . . 67 ASN CA . 27347 1 223 . 1 . 1 67 67 ASN CB C 13 40.012 0.17 . . . . . . . 67 ASN CB . 27347 1 224 . 1 . 1 67 67 ASN N N 15 113.560 0.00 . . . . . . . 67 ASN N . 27347 1 225 . 1 . 1 68 68 TYR H H 1 8.103 0.00 . . . . . . . 68 TYR H . 27347 1 226 . 1 . 1 68 68 TYR CA C 13 56.084 0.04 . . . . . . . 68 TYR CA . 27347 1 227 . 1 . 1 68 68 TYR CB C 13 38.731 0.04 . . . . . . . 68 TYR CB . 27347 1 228 . 1 . 1 68 68 TYR N N 15 116.938 0.06 . . . . . . . 68 TYR N . 27347 1 229 . 1 . 1 69 69 LEU H H 1 9.571 0.00 . . . . . . . 69 LEU H . 27347 1 230 . 1 . 1 69 69 LEU CA C 13 55.261 0.03 . . . . . . . 69 LEU CA . 27347 1 231 . 1 . 1 69 69 LEU CB C 13 43.829 0.06 . . . . . . . 69 LEU CB . 27347 1 232 . 1 . 1 69 69 LEU N N 15 123.949 0.00 . . . . . . . 69 LEU N . 27347 1 233 . 1 . 1 70 70 THR H H 1 7.127 0.00 . . . . . . . 70 THR H . 27347 1 234 . 1 . 1 70 70 THR CA C 13 58.612 0.03 . . . . . . . 70 THR CA . 27347 1 235 . 1 . 1 70 70 THR CB C 13 73.472 0.10 . . . . . . . 70 THR CB . 27347 1 236 . 1 . 1 70 70 THR N N 15 98.601 0.00 . . . . . . . 70 THR N . 27347 1 237 . 1 . 1 71 71 ALA H H 1 9.400 0.00 . . . . . . . 71 ALA H . 27347 1 238 . 1 . 1 71 71 ALA CA C 13 54.814 0.05 . . . . . . . 71 ALA CA . 27347 1 239 . 1 . 1 71 71 ALA CB C 13 18.565 0.01 . . . . . . . 71 ALA CB . 27347 1 240 . 1 . 1 71 71 ALA N N 15 123.227 0.00 . . . . . . . 71 ALA N . 27347 1 241 . 1 . 1 72 72 LYS H H 1 8.438 0.00 . . . . . . . 72 LYS H . 27347 1 242 . 1 . 1 72 72 LYS CA C 13 59.981 0.21 . . . . . . . 72 LYS CA . 27347 1 243 . 1 . 1 72 72 LYS CB C 13 32.161 0.10 . . . . . . . 72 LYS CB . 27347 1 244 . 1 . 1 72 72 LYS N N 15 118.589 0.00 . . . . . . . 72 LYS N . 27347 1 245 . 1 . 1 73 73 ASP H H 1 7.787 0.00 . . . . . . . 73 ASP H . 27347 1 246 . 1 . 1 73 73 ASP CA C 13 57.846 0.02 . . . . . . . 73 ASP CA . 27347 1 247 . 1 . 1 73 73 ASP CB C 13 41.132 0.14 . . . . . . . 73 ASP CB . 27347 1 248 . 1 . 1 73 73 ASP N N 15 120.053 0.00 . . . . . . . 73 ASP N . 27347 1 249 . 1 . 1 74 74 PHE H H 1 6.850 0.00 . . . . . . . 74 PHE H . 27347 1 250 . 1 . 1 74 74 PHE N N 15 122.394 0.00 . . . . . . . 74 PHE N . 27347 1 251 . 1 . 1 75 75 LEU CA C 13 57.229 0.00 . . . . . . . 75 LEU CA . 27347 1 252 . 1 . 1 75 75 LEU CB C 13 41.212 0.09 . . . . . . . 75 LEU CB . 27347 1 253 . 1 . 1 76 76 LYS H H 1 7.583 0.00 . . . . . . . 76 LYS H . 27347 1 254 . 1 . 1 76 76 LYS CA C 13 59.912 0.02 . . . . . . . 76 LYS CA . 27347 1 255 . 1 . 1 76 76 LYS CB C 13 32.241 0.01 . . . . . . . 76 LYS CB . 27347 1 256 . 1 . 1 76 76 LYS N N 15 118.123 0.00 . . . . . . . 76 LYS N . 27347 1 257 . 1 . 1 77 77 ASP H H 1 6.972 0.00 . . . . . . . 77 ASP H . 27347 1 258 . 1 . 1 77 77 ASP CA C 13 56.584 0.01 . . . . . . . 77 ASP CA . 27347 1 259 . 1 . 1 77 77 ASP CB C 13 39.398 0.13 . . . . . . . 77 ASP CB . 27347 1 260 . 1 . 1 77 77 ASP N N 15 119.722 0.00 . . . . . . . 77 ASP N . 27347 1 261 . 1 . 1 78 78 ILE H H 1 7.054 0.00 . . . . . . . 78 ILE H . 27347 1 262 . 1 . 1 78 78 ILE CA C 13 62.278 0.04 . . . . . . . 78 ILE CA . 27347 1 263 . 1 . 1 78 78 ILE CB C 13 33.797 0.07 . . . . . . . 78 ILE CB . 27347 1 264 . 1 . 1 78 78 ILE N N 15 121.072 0.00 . . . . . . . 78 ILE N . 27347 1 265 . 1 . 1 79 79 ASP H H 1 8.960 0.00 . . . . . . . 79 ASP H . 27347 1 266 . 1 . 1 79 79 ASP CA C 13 57.599 0.00 . . . . . . . 79 ASP CA . 27347 1 267 . 1 . 1 79 79 ASP CB C 13 39.063 0.02 . . . . . . . 79 ASP CB . 27347 1 268 . 1 . 1 79 79 ASP N N 15 121.003 0.00 . . . . . . . 79 ASP N . 27347 1 269 . 1 . 1 80 80 LEU H H 1 7.494 0.00 . . . . . . . 80 LEU H . 27347 1 270 . 1 . 1 80 80 LEU CA C 13 57.465 0.12 . . . . . . . 80 LEU CA . 27347 1 271 . 1 . 1 80 80 LEU CB C 13 42.652 0.04 . . . . . . . 80 LEU CB . 27347 1 272 . 1 . 1 80 80 LEU N N 15 123.280 0.00 . . . . . . . 80 LEU N . 27347 1 273 . 1 . 1 81 81 ILE H H 1 7.510 0.00 . . . . . . . 81 ILE H . 27347 1 274 . 1 . 1 81 81 ILE CA C 13 66.490 0.03 . . . . . . . 81 ILE CA . 27347 1 275 . 1 . 1 81 81 ILE CB C 13 37.740 0.05 . . . . . . . 81 ILE CB . 27347 1 276 . 1 . 1 81 81 ILE N N 15 119.174 0.01 . . . . . . . 81 ILE N . 27347 1 277 . 1 . 1 82 82 CYS H H 1 7.331 0.00 . . . . . . . 82 CYS H . 27347 1 278 . 1 . 1 82 82 CYS CA C 13 62.188 0.02 . . . . . . . 82 CYS CA . 27347 1 279 . 1 . 1 82 82 CYS CB C 13 26.530 0.03 . . . . . . . 82 CYS CB . 27347 1 280 . 1 . 1 82 82 CYS N N 15 117.151 0.00 . . . . . . . 82 CYS N . 27347 1 281 . 1 . 1 83 83 SER H H 1 9.212 0.00 . . . . . . . 83 SER H . 27347 1 282 . 1 . 1 83 83 SER CA C 13 60.157 0.00 . . . . . . . 83 SER CA . 27347 1 283 . 1 . 1 83 83 SER N N 15 115.679 0.00 . . . . . . . 83 SER N . 27347 1 284 . 1 . 1 84 84 ASN CA C 13 55.227 0.06 . . . . . . . 84 ASN CA . 27347 1 285 . 1 . 1 84 84 ASN CB C 13 37.520 0.05 . . . . . . . 84 ASN CB . 27347 1 286 . 1 . 1 85 85 ALA H H 1 7.483 0.00 . . . . . . . 85 ALA H . 27347 1 287 . 1 . 1 85 85 ALA N N 15 121.907 0.04 . . . . . . . 85 ALA N . 27347 1 288 . 1 . 1 87 87 GLU H H 1 8.121 0.00 . . . . . . . 87 GLU H . 27347 1 289 . 1 . 1 87 87 GLU CA C 13 58.246 0.00 . . . . . . . 87 GLU CA . 27347 1 290 . 1 . 1 87 87 GLU CB C 13 30.290 0.06 . . . . . . . 87 GLU CB . 27347 1 291 . 1 . 1 87 87 GLU N N 15 118.946 0.05 . . . . . . . 87 GLU N . 27347 1 292 . 1 . 1 88 88 TYR H H 1 8.422 0.00 . . . . . . . 88 TYR H . 27347 1 293 . 1 . 1 88 88 TYR CA C 13 61.168 0.01 . . . . . . . 88 TYR CA . 27347 1 294 . 1 . 1 88 88 TYR CB C 13 39.826 0.08 . . . . . . . 88 TYR CB . 27347 1 295 . 1 . 1 88 88 TYR N N 15 116.966 0.04 . . . . . . . 88 TYR N . 27347 1 296 . 1 . 1 89 89 ASN H H 1 7.697 0.00 . . . . . . . 89 ASN H . 27347 1 297 . 1 . 1 89 89 ASN N N 15 116.367 0.05 . . . . . . . 89 ASN N . 27347 1 298 . 1 . 1 90 90 PRO CA C 13 62.958 0.07 . . . . . . . 90 PRO CA . 27347 1 299 . 1 . 1 90 90 PRO CB C 13 32.230 0.00 . . . . . . . 90 PRO CB . 27347 1 300 . 1 . 1 91 91 ASP H H 1 8.463 0.00 . . . . . . . 91 ASP H . 27347 1 301 . 1 . 1 91 91 ASP CA C 13 53.562 0.14 . . . . . . . 91 ASP CA . 27347 1 302 . 1 . 1 91 91 ASP CB C 13 40.341 0.02 . . . . . . . 91 ASP CB . 27347 1 303 . 1 . 1 91 91 ASP N N 15 118.817 0.05 . . . . . . . 91 ASP N . 27347 1 304 . 1 . 1 92 92 LYS H H 1 8.113 0.00 . . . . . . . 92 LYS H . 27347 1 305 . 1 . 1 92 92 LYS CA C 13 57.519 0.05 . . . . . . . 92 LYS CA . 27347 1 306 . 1 . 1 92 92 LYS CB C 13 34.328 0.03 . . . . . . . 92 LYS CB . 27347 1 307 . 1 . 1 92 92 LYS N N 15 121.419 0.06 . . . . . . . 92 LYS N . 27347 1 308 . 1 . 1 93 93 ASP H H 1 9.025 0.00 . . . . . . . 93 ASP H . 27347 1 309 . 1 . 1 93 93 ASP N N 15 123.047 0.10 . . . . . . . 93 ASP N . 27347 1 310 . 1 . 1 94 94 PRO CA C 13 65.966 0.00 . . . . . . . 94 PRO CA . 27347 1 311 . 1 . 1 94 94 PRO CB C 13 32.028 0.00 . . . . . . . 94 PRO CB . 27347 1 312 . 1 . 1 95 95 GLY H H 1 8.911 0.00 . . . . . . . 95 GLY H . 27347 1 313 . 1 . 1 95 95 GLY CA C 13 46.762 0.01 . . . . . . . 95 GLY CA . 27347 1 314 . 1 . 1 95 95 GLY N N 15 105.910 0.00 . . . . . . . 95 GLY N . 27347 1 315 . 1 . 1 96 96 ASP H H 1 7.657 0.00 . . . . . . . 96 ASP H . 27347 1 316 . 1 . 1 96 96 ASP CA C 13 56.932 0.09 . . . . . . . 96 ASP CA . 27347 1 317 . 1 . 1 96 96 ASP CB C 13 41.586 0.03 . . . . . . . 96 ASP CB . 27347 1 318 . 1 . 1 96 96 ASP N N 15 122.699 0.00 . . . . . . . 96 ASP N . 27347 1 319 . 1 . 1 97 97 LYS H H 1 7.982 0.00 . . . . . . . 97 LYS H . 27347 1 320 . 1 . 1 97 97 LYS CA C 13 59.761 0.04 . . . . . . . 97 LYS CA . 27347 1 321 . 1 . 1 97 97 LYS CB C 13 32.425 0.09 . . . . . . . 97 LYS CB . 27347 1 322 . 1 . 1 97 97 LYS N N 15 118.562 0.17 . . . . . . . 97 LYS N . 27347 1 323 . 1 . 1 98 98 ILE H H 1 7.729 0.00 . . . . . . . 98 ILE H . 27347 1 324 . 1 . 1 98 98 ILE CA C 13 64.464 0.02 . . . . . . . 98 ILE CA . 27347 1 325 . 1 . 1 98 98 ILE CB C 13 37.993 0.10 . . . . . . . 98 ILE CB . 27347 1 326 . 1 . 1 98 98 ILE N N 15 119.739 0.02 . . . . . . . 98 ILE N . 27347 1 327 . 1 . 1 99 99 ILE H H 1 7.584 0.00 . . . . . . . 99 ILE H . 27347 1 328 . 1 . 1 99 99 ILE CA C 13 65.981 0.03 . . . . . . . 99 ILE CA . 27347 1 329 . 1 . 1 99 99 ILE N N 15 121.223 0.10 . . . . . . . 99 ILE N . 27347 1 330 . 1 . 1 100 100 ARG H H 1 8.105 0.00 . . . . . . . 100 ARG H . 27347 1 331 . 1 . 1 100 100 ARG N N 15 118.422 0.00 . . . . . . . 100 ARG N . 27347 1 332 . 1 . 1 101 101 HIS H H 1 8.333 0.00 . . . . . . . 101 HIS H . 27347 1 333 . 1 . 1 101 101 HIS CA C 13 60.017 0.01 . . . . . . . 101 HIS CA . 27347 1 334 . 1 . 1 101 101 HIS CB C 13 30.878 0.13 . . . . . . . 101 HIS CB . 27347 1 335 . 1 . 1 101 101 HIS N N 15 119.348 0.00 . . . . . . . 101 HIS N . 27347 1 336 . 1 . 1 102 102 ARG H H 1 8.935 0.00 . . . . . . . 102 ARG H . 27347 1 337 . 1 . 1 102 102 ARG CA C 13 60.134 0.04 . . . . . . . 102 ARG CA . 27347 1 338 . 1 . 1 102 102 ARG CB C 13 30.457 0.13 . . . . . . . 102 ARG CB . 27347 1 339 . 1 . 1 102 102 ARG N N 15 122.082 0.00 . . . . . . . 102 ARG N . 27347 1 340 . 1 . 1 103 103 ALA H H 1 8.740 0.00 . . . . . . . 103 ALA H . 27347 1 341 . 1 . 1 103 103 ALA N N 15 122.849 0.00 . . . . . . . 103 ALA N . 27347 1 342 . 1 . 1 104 104 CYS CA C 13 63.281 0.07 . . . . . . . 104 CYS CA . 27347 1 343 . 1 . 1 104 104 CYS CB C 13 26.880 0.02 . . . . . . . 104 CYS CB . 27347 1 344 . 1 . 1 105 105 THR H H 1 8.365 0.00 . . . . . . . 105 THR H . 27347 1 345 . 1 . 1 105 105 THR CA C 13 66.792 0.00 . . . . . . . 105 THR CA . 27347 1 346 . 1 . 1 105 105 THR CB C 13 66.994 0.00 . . . . . . . 105 THR CB . 27347 1 347 . 1 . 1 105 105 THR N N 15 116.958 0.01 . . . . . . . 105 THR N . 27347 1 348 . 1 . 1 106 106 LEU H H 1 8.544 0.00 . . . . . . . 106 LEU H . 27347 1 349 . 1 . 1 106 106 LEU CA C 13 58.915 0.05 . . . . . . . 106 LEU CA . 27347 1 350 . 1 . 1 106 106 LEU CB C 13 39.452 0.04 . . . . . . . 106 LEU CB . 27347 1 351 . 1 . 1 106 106 LEU N N 15 129.616 0.03 . . . . . . . 106 LEU N . 27347 1 352 . 1 . 1 107 107 LYS H H 1 7.308 0.00 . . . . . . . 107 LYS H . 27347 1 353 . 1 . 1 107 107 LYS N N 15 119.166 0.00 . . . . . . . 107 LYS N . 27347 1 354 . 1 . 1 108 108 ASP H H 1 8.337 0.00 . . . . . . . 108 ASP H . 27347 1 355 . 1 . 1 108 108 ASP CA C 13 57.819 0.00 . . . . . . . 108 ASP CA . 27347 1 356 . 1 . 1 108 108 ASP CB C 13 40.509 0.13 . . . . . . . 108 ASP CB . 27347 1 357 . 1 . 1 108 108 ASP N N 15 118.330 0.05 . . . . . . . 108 ASP N . 27347 1 358 . 1 . 1 109 109 THR H H 1 8.577 0.00 . . . . . . . 109 THR H . 27347 1 359 . 1 . 1 109 109 THR CA C 13 67.340 0.02 . . . . . . . 109 THR CA . 27347 1 360 . 1 . 1 109 109 THR CB C 13 67.396 0.00 . . . . . . . 109 THR CB . 27347 1 361 . 1 . 1 109 109 THR N N 15 117.797 0.00 . . . . . . . 109 THR N . 27347 1 362 . 1 . 1 110 110 ALA H H 1 8.414 0.00 . . . . . . . 110 ALA H . 27347 1 363 . 1 . 1 110 110 ALA CA C 13 56.091 0.02 . . . . . . . 110 ALA CA . 27347 1 364 . 1 . 1 110 110 ALA CB C 13 19.602 0.05 . . . . . . . 110 ALA CB . 27347 1 365 . 1 . 1 110 110 ALA N N 15 122.939 0.00 . . . . . . . 110 ALA N . 27347 1 366 . 1 . 1 111 111 HIS H H 1 8.217 0.00 . . . . . . . 111 HIS H . 27347 1 367 . 1 . 1 111 111 HIS CA C 13 61.069 0.03 . . . . . . . 111 HIS CA . 27347 1 368 . 1 . 1 111 111 HIS N N 15 113.589 0.03 . . . . . . . 111 HIS N . 27347 1 369 . 1 . 1 112 112 ALA H H 1 8.186 0.00 . . . . . . . 112 ALA H . 27347 1 370 . 1 . 1 112 112 ALA CA C 13 55.337 0.02 . . . . . . . 112 ALA CA . 27347 1 371 . 1 . 1 112 112 ALA CB C 13 18.242 0.03 . . . . . . . 112 ALA CB . 27347 1 372 . 1 . 1 112 112 ALA N N 15 122.805 0.00 . . . . . . . 112 ALA N . 27347 1 373 . 1 . 1 113 113 ILE H H 1 8.487 0.00 . . . . . . . 113 ILE H . 27347 1 374 . 1 . 1 113 113 ILE CB C 13 38.490 0.02 . . . . . . . 113 ILE CB . 27347 1 375 . 1 . 1 113 113 ILE N N 15 121.045 0.00 . . . . . . . 113 ILE N . 27347 1 376 . 1 . 1 114 114 ILE H H 1 7.678 0.01 . . . . . . . 114 ILE H . 27347 1 377 . 1 . 1 114 114 ILE CA C 13 64.151 0.02 . . . . . . . 114 ILE CA . 27347 1 378 . 1 . 1 114 114 ILE CB C 13 35.913 0.06 . . . . . . . 114 ILE CB . 27347 1 379 . 1 . 1 114 114 ILE N N 15 118.460 0.07 . . . . . . . 114 ILE N . 27347 1 380 . 1 . 1 115 115 ALA H H 1 8.088 0.00 . . . . . . . 115 ALA H . 27347 1 381 . 1 . 1 115 115 ALA CA C 13 54.921 0.02 . . . . . . . 115 ALA CA . 27347 1 382 . 1 . 1 115 115 ALA CB C 13 18.390 0.08 . . . . . . . 115 ALA CB . 27347 1 383 . 1 . 1 115 115 ALA N N 15 119.592 0.00 . . . . . . . 115 ALA N . 27347 1 384 . 1 . 1 116 116 ALA H H 1 7.844 0.00 . . . . . . . 116 ALA H . 27347 1 385 . 1 . 1 116 116 ALA CA C 13 54.038 0.03 . . . . . . . 116 ALA CA . 27347 1 386 . 1 . 1 116 116 ALA CB C 13 20.234 0.04 . . . . . . . 116 ALA CB . 27347 1 387 . 1 . 1 116 116 ALA N N 15 117.014 0.00 . . . . . . . 116 ALA N . 27347 1 388 . 1 . 1 117 117 GLU H H 1 8.276 0.00 . . . . . . . 117 GLU H . 27347 1 389 . 1 . 1 117 117 GLU CA C 13 57.543 0.08 . . . . . . . 117 GLU CA . 27347 1 390 . 1 . 1 117 117 GLU CB C 13 31.961 0.04 . . . . . . . 117 GLU CB . 27347 1 391 . 1 . 1 117 117 GLU N N 15 113.886 0.02 . . . . . . . 117 GLU N . 27347 1 392 . 1 . 1 118 118 LEU H H 1 7.851 0.00 . . . . . . . 118 LEU H . 27347 1 393 . 1 . 1 118 118 LEU CA C 13 54.014 0.05 . . . . . . . 118 LEU CA . 27347 1 394 . 1 . 1 118 118 LEU CB C 13 43.270 0.03 . . . . . . . 118 LEU CB . 27347 1 395 . 1 . 1 118 118 LEU N N 15 120.761 0.00 . . . . . . . 118 LEU N . 27347 1 396 . 1 . 1 119 119 ASP H H 1 8.838 0.00 . . . . . . . 119 ASP H . 27347 1 397 . 1 . 1 119 119 ASP N N 15 131.915 0.00 . . . . . . . 119 ASP N . 27347 1 398 . 1 . 1 120 120 PRO CA C 13 65.272 0.00 . . . . . . . 120 PRO CA . 27347 1 399 . 1 . 1 120 120 PRO CB C 13 32.395 0.17 . . . . . . . 120 PRO CB . 27347 1 400 . 1 . 1 121 121 GLU H H 1 8.455 0.00 . . . . . . . 121 GLU H . 27347 1 401 . 1 . 1 121 121 GLU CA C 13 59.160 0.00 . . . . . . . 121 GLU CA . 27347 1 402 . 1 . 1 121 121 GLU CB C 13 28.772 0.05 . . . . . . . 121 GLU CB . 27347 1 403 . 1 . 1 121 121 GLU N N 15 120.042 0.00 . . . . . . . 121 GLU N . 27347 1 404 . 1 . 1 122 122 PHE H H 1 8.093 0.00 . . . . . . . 122 PHE H . 27347 1 405 . 1 . 1 122 122 PHE CA C 13 61.029 0.02 . . . . . . . 122 PHE CA . 27347 1 406 . 1 . 1 122 122 PHE CB C 13 39.446 0.10 . . . . . . . 122 PHE CB . 27347 1 407 . 1 . 1 122 122 PHE N N 15 123.611 0.10 . . . . . . . 122 PHE N . 27347 1 408 . 1 . 1 123 123 ASN H H 1 8.561 0.00 . . . . . . . 123 ASN H . 27347 1 409 . 1 . 1 123 123 ASN CA C 13 57.840 0.02 . . . . . . . 123 ASN CA . 27347 1 410 . 1 . 1 123 123 ASN CB C 13 39.147 0.10 . . . . . . . 123 ASN CB . 27347 1 411 . 1 . 1 123 123 ASN N N 15 116.850 0.01 . . . . . . . 123 ASN N . 27347 1 412 . 1 . 1 124 124 LYS H H 1 7.795 0.00 . . . . . . . 124 LYS H . 27347 1 413 . 1 . 1 124 124 LYS CA C 13 59.714 0.04 . . . . . . . 124 LYS CA . 27347 1 414 . 1 . 1 124 124 LYS CB C 13 32.267 0.05 . . . . . . . 124 LYS CB . 27347 1 415 . 1 . 1 124 124 LYS N N 15 118.793 0.00 . . . . . . . 124 LYS N . 27347 1 416 . 1 . 1 125 125 LEU H H 1 7.437 0.00 . . . . . . . 125 LEU H . 27347 1 417 . 1 . 1 125 125 LEU CA C 13 58.009 0.06 . . . . . . . 125 LEU CA . 27347 1 418 . 1 . 1 125 125 LEU CB C 13 41.717 0.07 . . . . . . . 125 LEU CB . 27347 1 419 . 1 . 1 125 125 LEU N N 15 119.298 0.00 . . . . . . . 125 LEU N . 27347 1 420 . 1 . 1 126 126 CYS H H 1 7.460 0.00 . . . . . . . 126 CYS H . 27347 1 421 . 1 . 1 126 126 CYS CA C 13 63.792 0.04 . . . . . . . 126 CYS CA . 27347 1 422 . 1 . 1 126 126 CYS CB C 13 26.418 0.08 . . . . . . . 126 CYS CB . 27347 1 423 . 1 . 1 126 126 CYS N N 15 116.623 0.02 . . . . . . . 126 CYS N . 27347 1 424 . 1 . 1 127 127 GLU H H 1 8.162 0.00 . . . . . . . 127 GLU H . 27347 1 425 . 1 . 1 127 127 GLU CA C 13 59.858 0.00 . . . . . . . 127 GLU CA . 27347 1 426 . 1 . 1 127 127 GLU CB C 13 28.944 0.00 . . . . . . . 127 GLU CB . 27347 1 427 . 1 . 1 127 127 GLU N N 15 118.187 0.03 . . . . . . . 127 GLU N . 27347 1 428 . 1 . 1 128 128 GLU H H 1 8.284 0.00 . . . . . . . 128 GLU H . 27347 1 429 . 1 . 1 128 128 GLU CA C 13 59.593 0.09 . . . . . . . 128 GLU CA . 27347 1 430 . 1 . 1 128 128 GLU CB C 13 29.231 0.10 . . . . . . . 128 GLU CB . 27347 1 431 . 1 . 1 128 128 GLU N N 15 120.637 0.00 . . . . . . . 128 GLU N . 27347 1 432 . 1 . 1 129 129 ILE H H 1 8.072 0.00 . . . . . . . 129 ILE H . 27347 1 433 . 1 . 1 129 129 ILE CA C 13 65.578 0.03 . . . . . . . 129 ILE CA . 27347 1 434 . 1 . 1 129 129 ILE CB C 13 38.150 0.05 . . . . . . . 129 ILE CB . 27347 1 435 . 1 . 1 129 129 ILE N N 15 123.057 0.04 . . . . . . . 129 ILE N . 27347 1 436 . 1 . 1 130 130 LYS H H 1 8.227 0.00 . . . . . . . 130 LYS H . 27347 1 437 . 1 . 1 130 130 LYS CA C 13 60.261 0.00 . . . . . . . 130 LYS CA . 27347 1 438 . 1 . 1 130 130 LYS CB C 13 32.223 0.10 . . . . . . . 130 LYS CB . 27347 1 439 . 1 . 1 130 130 LYS N N 15 119.842 0.00 . . . . . . . 130 LYS N . 27347 1 440 . 1 . 1 131 131 GLU H H 1 7.982 0.00 . . . . . . . 131 GLU H . 27347 1 441 . 1 . 1 131 131 GLU CA C 13 58.830 0.02 . . . . . . . 131 GLU CA . 27347 1 442 . 1 . 1 131 131 GLU CB C 13 29.385 0.21 . . . . . . . 131 GLU CB . 27347 1 443 . 1 . 1 131 131 GLU N N 15 116.800 0.00 . . . . . . . 131 GLU N . 27347 1 444 . 1 . 1 132 132 ALA H H 1 7.844 0.00 . . . . . . . 132 ALA H . 27347 1 445 . 1 . 1 132 132 ALA CA C 13 54.382 0.05 . . . . . . . 132 ALA CA . 27347 1 446 . 1 . 1 132 132 ALA CB C 13 18.459 0.06 . . . . . . . 132 ALA CB . 27347 1 447 . 1 . 1 132 132 ALA N N 15 120.125 0.05 . . . . . . . 132 ALA N . 27347 1 448 . 1 . 1 133 133 ARG H H 1 8.095 0.00 . . . . . . . 133 ARG H . 27347 1 449 . 1 . 1 133 133 ARG CA C 13 58.417 0.05 . . . . . . . 133 ARG CA . 27347 1 450 . 1 . 1 133 133 ARG CB C 13 30.565 0.05 . . . . . . . 133 ARG CB . 27347 1 451 . 1 . 1 133 133 ARG N N 15 116.447 0.03 . . . . . . . 133 ARG N . 27347 1 452 . 1 . 1 134 134 ILE H H 1 7.779 0.00 . . . . . . . 134 ILE H . 27347 1 453 . 1 . 1 134 134 ILE CA C 13 62.833 0.01 . . . . . . . 134 ILE CA . 27347 1 454 . 1 . 1 134 134 ILE CB C 13 38.194 0.02 . . . . . . . 134 ILE CB . 27347 1 455 . 1 . 1 134 134 ILE N N 15 118.460 0.00 . . . . . . . 134 ILE N . 27347 1 456 . 1 . 1 135 135 LYS H H 1 7.632 0.00 . . . . . . . 135 LYS H . 27347 1 457 . 1 . 1 135 135 LYS CA C 13 56.278 0.01 . . . . . . . 135 LYS CA . 27347 1 458 . 1 . 1 135 135 LYS CB C 13 32.902 0.02 . . . . . . . 135 LYS CB . 27347 1 459 . 1 . 1 135 135 LYS N N 15 121.890 0.00 . . . . . . . 135 LYS N . 27347 1 460 . 1 . 1 136 136 ARG H H 1 7.640 0.00 . . . . . . . 136 ARG H . 27347 1 461 . 1 . 1 136 136 ARG N N 15 127.438 0.00 . . . . . . . 136 ARG N . 27347 1 stop_ save_