################################### # 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 27745 _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' . . . 27745 1 2 '3D HNCO' . . . 27745 1 3 '3D HNCACB' . . . 27745 1 4 '3D CBCA(CO)NH' . . . 27745 1 5 '3D HN(CA)CO' . . . 27745 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 3 $Analysis . . 27745 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 ASP C C 13 175.651 0.000 . 1 . . . . . 2 ASP C . 27745 1 2 . 1 . 1 2 2 ASP CA C 13 54.730 0.031 . 1 . . . . . 2 ASP CA . 27745 1 3 . 1 . 1 2 2 ASP CB C 13 41.396 0.052 . 1 . . . . . 2 ASP CB . 27745 1 4 . 1 . 1 3 3 GLN H H 1 8.396 0.002 . 1 . . . . . 3 GLN H . 27745 1 5 . 1 . 1 3 3 GLN C C 13 175.655 0.011 . 1 . . . . . 3 GLN C . 27745 1 6 . 1 . 1 3 3 GLN CA C 13 55.580 0.000 . 1 . . . . . 3 GLN CA . 27745 1 7 . 1 . 1 3 3 GLN CB C 13 29.840 0.000 . 1 . . . . . 3 GLN CB . 27745 1 8 . 1 . 1 3 3 GLN N N 15 120.132 0.002 . 1 . . . . . 3 GLN N . 27745 1 9 . 1 . 1 4 4 LEU H H 1 8.338 0.002 . 1 . . . . . 4 LEU H . 27745 1 10 . 1 . 1 4 4 LEU C C 13 177.669 0.022 . 1 . . . . . 4 LEU C . 27745 1 11 . 1 . 1 4 4 LEU CA C 13 55.565 0.000 . 1 . . . . . 4 LEU CA . 27745 1 12 . 1 . 1 4 4 LEU CB C 13 43.657 0.000 . 1 . . . . . 4 LEU CB . 27745 1 13 . 1 . 1 4 4 LEU N N 15 123.482 0.055 . 1 . . . . . 4 LEU N . 27745 1 14 . 1 . 1 5 5 THR H H 1 8.681 0.003 . 1 . . . . . 5 THR H . 27745 1 15 . 1 . 1 5 5 THR C C 13 175.448 0.011 . 1 . . . . . 5 THR C . 27745 1 16 . 1 . 1 5 5 THR CA C 13 60.568 0.000 . 1 . . . . . 5 THR CA . 27745 1 17 . 1 . 1 5 5 THR CB C 13 71.206 0.000 . 1 . . . . . 5 THR CB . 27745 1 18 . 1 . 1 5 5 THR N N 15 113.132 0.011 . 1 . . . . . 5 THR N . 27745 1 19 . 1 . 1 6 6 GLU H H 1 9.001 0.002 . 1 . . . . . 6 GLU H . 27745 1 20 . 1 . 1 6 6 GLU C C 13 179.474 0.000 . 1 . . . . . 6 GLU C . 27745 1 21 . 1 . 1 6 6 GLU CA C 13 60.134 0.000 . 1 . . . . . 6 GLU CA . 27745 1 22 . 1 . 1 6 6 GLU CB C 13 29.264 0.000 . 1 . . . . . 6 GLU CB . 27745 1 23 . 1 . 1 6 6 GLU N N 15 120.517 0.009 . 1 . . . . . 6 GLU N . 27745 1 24 . 1 . 1 7 7 GLU H H 1 8.688 0.002 . 1 . . . . . 7 GLU H . 27745 1 25 . 1 . 1 7 7 GLU C C 13 179.268 0.035 . 1 . . . . . 7 GLU C . 27745 1 26 . 1 . 1 7 7 GLU CA C 13 59.959 0.015 . 1 . . . . . 7 GLU CA . 27745 1 27 . 1 . 1 7 7 GLU CB C 13 29.092 0.000 . 1 . . . . . 7 GLU CB . 27745 1 28 . 1 . 1 7 7 GLU N N 15 119.582 0.010 . 1 . . . . . 7 GLU N . 27745 1 29 . 1 . 1 8 8 GLN H H 1 7.735 0.004 . 1 . . . . . 8 GLN H . 27745 1 30 . 1 . 1 8 8 GLN C C 13 178.138 0.021 . 1 . . . . . 8 GLN C . 27745 1 31 . 1 . 1 8 8 GLN CA C 13 58.805 0.000 . 1 . . . . . 8 GLN CA . 27745 1 32 . 1 . 1 8 8 GLN CB C 13 29.309 0.000 . 1 . . . . . 8 GLN CB . 27745 1 33 . 1 . 1 8 8 GLN N N 15 120.333 0.005 . 1 . . . . . 8 GLN N . 27745 1 34 . 1 . 1 9 9 ILE H H 1 8.376 0.005 . 1 . . . . . 9 ILE H . 27745 1 35 . 1 . 1 9 9 ILE C C 13 177.810 0.008 . 1 . . . . . 9 ILE C . 27745 1 36 . 1 . 1 9 9 ILE CA C 13 66.223 0.000 . 1 . . . . . 9 ILE CA . 27745 1 37 . 1 . 1 9 9 ILE CB C 13 37.777 0.059 . 1 . . . . . 9 ILE CB . 27745 1 38 . 1 . 1 9 9 ILE N N 15 119.559 0.007 . 1 . . . . . 9 ILE N . 27745 1 39 . 1 . 1 10 10 ALA H H 1 8.027 0.004 . 1 . . . . . 10 ALA H . 27745 1 40 . 1 . 1 10 10 ALA C C 13 181.041 0.016 . 1 . . . . . 10 ALA C . 27745 1 41 . 1 . 1 10 10 ALA CA C 13 55.549 0.000 . 1 . . . . . 10 ALA CA . 27745 1 42 . 1 . 1 10 10 ALA CB C 13 18.004 0.000 . 1 . . . . . 10 ALA CB . 27745 1 43 . 1 . 1 10 10 ALA N N 15 121.175 0.011 . 1 . . . . . 10 ALA N . 27745 1 44 . 1 . 1 11 11 GLU H H 1 7.771 0.002 . 1 . . . . . 11 GLU H . 27745 1 45 . 1 . 1 11 11 GLU C C 13 180.403 0.043 . 1 . . . . . 11 GLU C . 27745 1 46 . 1 . 1 11 11 GLU CA C 13 59.447 0.000 . 1 . . . . . 11 GLU CA . 27745 1 47 . 1 . 1 11 11 GLU CB C 13 29.148 0.000 . 1 . . . . . 11 GLU CB . 27745 1 48 . 1 . 1 11 11 GLU N N 15 119.958 0.024 . 1 . . . . . 11 GLU N . 27745 1 49 . 1 . 1 12 12 PHE H H 1 8.584 0.002 . 1 . . . . . 12 PHE H . 27745 1 50 . 1 . 1 12 12 PHE C C 13 178.803 0.000 . 1 . . . . . 12 PHE C . 27745 1 51 . 1 . 1 12 12 PHE CA C 13 58.997 0.000 . 1 . . . . . 12 PHE CA . 27745 1 52 . 1 . 1 12 12 PHE CB C 13 37.512 0.000 . 1 . . . . . 12 PHE CB . 27745 1 53 . 1 . 1 12 12 PHE N N 15 120.408 0.007 . 1 . . . . . 12 PHE N . 27745 1 54 . 1 . 1 13 13 LYS H H 1 9.195 0.002 . 1 . . . . . 13 LYS H . 27745 1 55 . 1 . 1 13 13 LYS C C 13 179.290 0.003 . 1 . . . . . 13 LYS C . 27745 1 56 . 1 . 1 13 13 LYS CA C 13 60.185 0.000 . 1 . . . . . 13 LYS CA . 27745 1 57 . 1 . 1 13 13 LYS CB C 13 31.937 0.000 . 1 . . . . . 13 LYS CB . 27745 1 58 . 1 . 1 13 13 LYS N N 15 123.727 0.010 . 1 . . . . . 13 LYS N . 27745 1 59 . 1 . 1 14 14 GLU H H 1 7.807 0.004 . 1 . . . . . 14 GLU H . 27745 1 60 . 1 . 1 14 14 GLU C C 13 179.650 0.082 . 1 . . . . . 14 GLU C . 27745 1 61 . 1 . 1 14 14 GLU CA C 13 59.348 0.000 . 1 . . . . . 14 GLU CA . 27745 1 62 . 1 . 1 14 14 GLU CB C 13 29.295 0.016 . 1 . . . . . 14 GLU CB . 27745 1 63 . 1 . 1 14 14 GLU N N 15 120.494 0.009 . 1 . . . . . 14 GLU N . 27745 1 64 . 1 . 1 15 15 ALA H H 1 8.074 0.004 . 1 . . . . . 15 ALA H . 27745 1 65 . 1 . 1 15 15 ALA C C 13 178.421 0.003 . 1 . . . . . 15 ALA C . 27745 1 66 . 1 . 1 15 15 ALA CA C 13 55.483 0.020 . 1 . . . . . 15 ALA CA . 27745 1 67 . 1 . 1 15 15 ALA CB C 13 18.592 0.000 . 1 . . . . . 15 ALA CB . 27745 1 68 . 1 . 1 15 15 ALA N N 15 122.347 0.014 . 1 . . . . . 15 ALA N . 27745 1 69 . 1 . 1 16 16 PHE H H 1 8.795 0.006 . 1 . . . . . 16 PHE H . 27745 1 70 . 1 . 1 16 16 PHE C C 13 177.647 0.042 . 1 . . . . . 16 PHE C . 27745 1 71 . 1 . 1 16 16 PHE CA C 13 62.041 0.000 . 1 . . . . . 16 PHE CA . 27745 1 72 . 1 . 1 16 16 PHE CB C 13 39.734 0.000 . 1 . . . . . 16 PHE CB . 27745 1 73 . 1 . 1 16 16 PHE N N 15 119.253 0.007 . 1 . . . . . 16 PHE N . 27745 1 74 . 1 . 1 17 17 SER H H 1 7.967 0.007 . 1 . . . . . 17 SER H . 27745 1 75 . 1 . 1 17 17 SER C C 13 174.654 0.032 . 1 . . . . . 17 SER C . 27745 1 76 . 1 . 1 17 17 SER CA C 13 61.767 0.000 . 1 . . . . . 17 SER CA . 27745 1 77 . 1 . 1 17 17 SER CB C 13 63.365 0.000 . 1 . . . . . 17 SER CB . 27745 1 78 . 1 . 1 17 17 SER N N 15 113.093 0.012 . 1 . . . . . 17 SER N . 27745 1 79 . 1 . 1 18 18 LEU H H 1 7.405 0.003 . 1 . . . . . 18 LEU H . 27745 1 80 . 1 . 1 18 18 LEU C C 13 177.341 0.017 . 1 . . . . . 18 LEU C . 27745 1 81 . 1 . 1 18 18 LEU CA C 13 57.272 0.000 . 1 . . . . . 18 LEU CA . 27745 1 82 . 1 . 1 18 18 LEU CB C 13 41.497 0.000 . 1 . . . . . 18 LEU CB . 27745 1 83 . 1 . 1 18 18 LEU N N 15 120.911 0.009 . 1 . . . . . 18 LEU N . 27745 1 84 . 1 . 1 19 19 PHE H H 1 7.183 0.005 . 1 . . . . . 19 PHE H . 27745 1 85 . 1 . 1 19 19 PHE C C 13 176.892 0.000 . 1 . . . . . 19 PHE C . 27745 1 86 . 1 . 1 19 19 PHE CA C 13 59.397 0.026 . 1 . . . . . 19 PHE CA . 27745 1 87 . 1 . 1 19 19 PHE N N 15 113.819 0.036 . 1 . . . . . 19 PHE N . 27745 1 88 . 1 . 1 20 20 ASP H H 1 7.873 0.005 . 1 . . . . . 20 ASP H . 27745 1 89 . 1 . 1 20 20 ASP C C 13 177.249 0.022 . 1 . . . . . 20 ASP C . 27745 1 90 . 1 . 1 20 20 ASP CA C 13 52.566 0.004 . 1 . . . . . 20 ASP CA . 27745 1 91 . 1 . 1 20 20 ASP CB C 13 39.115 0.000 . 1 . . . . . 20 ASP CB . 27745 1 92 . 1 . 1 20 20 ASP N N 15 117.750 0.021 . 1 . . . . . 20 ASP N . 27745 1 93 . 1 . 1 21 21 LYS H H 1 7.694 0.003 . 1 . . . . . 21 LYS H . 27745 1 94 . 1 . 1 21 21 LYS C C 13 178.116 0.035 . 1 . . . . . 21 LYS C . 27745 1 95 . 1 . 1 21 21 LYS CA C 13 58.630 0.000 . 1 . . . . . 21 LYS CA . 27745 1 96 . 1 . 1 21 21 LYS CB C 13 32.822 0.000 . 1 . . . . . 21 LYS CB . 27745 1 97 . 1 . 1 21 21 LYS N N 15 124.449 0.005 . 1 . . . . . 21 LYS N . 27745 1 98 . 1 . 1 22 22 ASP H H 1 8.029 0.004 . 1 . . . . . 22 ASP H . 27745 1 99 . 1 . 1 22 22 ASP C C 13 177.680 0.011 . 1 . . . . . 22 ASP C . 27745 1 100 . 1 . 1 22 22 ASP CA C 13 52.882 0.000 . 1 . . . . . 22 ASP CA . 27745 1 101 . 1 . 1 22 22 ASP CB C 13 39.651 0.000 . 1 . . . . . 22 ASP CB . 27745 1 102 . 1 . 1 22 22 ASP N N 15 113.999 0.008 . 1 . . . . . 22 ASP N . 27745 1 103 . 1 . 1 23 23 GLY H H 1 7.680 0.003 . 1 . . . . . 23 GLY H . 27745 1 104 . 1 . 1 23 23 GLY C C 13 175.120 0.015 . 1 . . . . . 23 GLY C . 27745 1 105 . 1 . 1 23 23 GLY CA C 13 47.285 0.000 . 1 . . . . . 23 GLY CA . 27745 1 106 . 1 . 1 23 23 GLY N N 15 109.320 0.009 . 1 . . . . . 23 GLY N . 27745 1 107 . 1 . 1 24 24 ASP H H 1 8.395 0.002 . 1 . . . . . 24 ASP H . 27745 1 108 . 1 . 1 24 24 ASP C C 13 177.409 0.005 . 1 . . . . . 24 ASP C . 27745 1 109 . 1 . 1 24 24 ASP CA C 13 53.744 0.006 . 1 . . . . . 24 ASP CA . 27745 1 110 . 1 . 1 24 24 ASP CB C 13 40.508 0.000 . 1 . . . . . 24 ASP CB . 27745 1 111 . 1 . 1 24 24 ASP N N 15 120.779 0.014 . 1 . . . . . 24 ASP N . 27745 1 112 . 1 . 1 25 25 GLY H H 1 10.566 0.004 . 1 . . . . . 25 GLY H . 27745 1 113 . 1 . 1 25 25 GLY C C 13 173.681 0.032 . 1 . . . . . 25 GLY C . 27745 1 114 . 1 . 1 25 25 GLY CA C 13 45.478 0.044 . 1 . . . . . 25 GLY CA . 27745 1 115 . 1 . 1 25 25 GLY N N 15 113.019 0.010 . 1 . . . . . 25 GLY N . 27745 1 116 . 1 . 1 26 26 THR H H 1 8.166 0.003 . 1 . . . . . 26 THR H . 27745 1 117 . 1 . 1 26 26 THR C C 13 173.061 0.028 . 1 . . . . . 26 THR C . 27745 1 118 . 1 . 1 26 26 THR CA C 13 59.890 0.000 . 1 . . . . . 26 THR CA . 27745 1 119 . 1 . 1 26 26 THR CB C 13 72.697 0.000 . 1 . . . . . 26 THR CB . 27745 1 120 . 1 . 1 26 26 THR N N 15 112.801 0.011 . 1 . . . . . 26 THR N . 27745 1 121 . 1 . 1 27 27 ILE H H 1 9.790 0.004 . 1 . . . . . 27 ILE H . 27745 1 122 . 1 . 1 27 27 ILE C C 13 176.004 0.023 . 1 . . . . . 27 ILE C . 27745 1 123 . 1 . 1 27 27 ILE CA C 13 60.776 0.000 . 1 . . . . . 27 ILE CA . 27745 1 124 . 1 . 1 27 27 ILE CB C 13 39.818 0.000 . 1 . . . . . 27 ILE CB . 27745 1 125 . 1 . 1 27 27 ILE N N 15 126.947 0.032 . 1 . . . . . 27 ILE N . 27745 1 126 . 1 . 1 28 28 THR H H 1 8.424 0.005 . 1 . . . . . 28 THR H . 27745 1 127 . 1 . 1 28 28 THR C C 13 176.645 0.023 . 1 . . . . . 28 THR C . 27745 1 128 . 1 . 1 28 28 THR CA C 13 60.935 0.000 . 1 . . . . . 28 THR CA . 27745 1 129 . 1 . 1 28 28 THR CB C 13 72.491 0.000 . 1 . . . . . 28 THR CB . 27745 1 130 . 1 . 1 28 28 THR N N 15 116.567 0.018 . 1 . . . . . 28 THR N . 27745 1 131 . 1 . 1 29 29 THR H H 1 9.128 0.003 . 1 . . . . . 29 THR H . 27745 1 132 . 1 . 1 29 29 THR C C 13 177.322 0.026 . 1 . . . . . 29 THR C . 27745 1 133 . 1 . 1 29 29 THR CA C 13 66.384 0.000 . 1 . . . . . 29 THR CA . 27745 1 134 . 1 . 1 29 29 THR CB C 13 72.465 0.000 . 1 . . . . . 29 THR CB . 27745 1 135 . 1 . 1 29 29 THR N N 15 112.672 0.019 . 1 . . . . . 29 THR N . 27745 1 136 . 1 . 1 30 30 LYS H H 1 7.665 0.005 . 1 . . . . . 30 LYS H . 27745 1 137 . 1 . 1 30 30 LYS C C 13 179.939 0.004 . 1 . . . . . 30 LYS C . 27745 1 138 . 1 . 1 30 30 LYS CA C 13 59.299 0.000 . 1 . . . . . 30 LYS CA . 27745 1 139 . 1 . 1 30 30 LYS CB C 13 32.607 0.000 . 1 . . . . . 30 LYS CB . 27745 1 140 . 1 . 1 30 30 LYS N N 15 121.253 0.010 . 1 . . . . . 30 LYS N . 27745 1 141 . 1 . 1 31 31 GLU H H 1 7.691 0.003 . 1 . . . . . 31 GLU H . 27745 1 142 . 1 . 1 31 31 GLU C C 13 179.462 0.013 . 1 . . . . . 31 GLU C . 27745 1 143 . 1 . 1 31 31 GLU CA C 13 59.521 0.000 . 1 . . . . . 31 GLU CA . 27745 1 144 . 1 . 1 31 31 GLU CB C 13 29.541 0.000 . 1 . . . . . 31 GLU CB . 27745 1 145 . 1 . 1 31 31 GLU N N 15 121.894 0.004 . 1 . . . . . 31 GLU N . 27745 1 146 . 1 . 1 32 32 LEU H H 1 8.660 0.005 . 1 . . . . . 32 LEU H . 27745 1 147 . 1 . 1 32 32 LEU C C 13 178.941 0.060 . 1 . . . . . 32 LEU C . 27745 1 148 . 1 . 1 32 32 LEU CA C 13 58.357 0.000 . 1 . . . . . 32 LEU CA . 27745 1 149 . 1 . 1 32 32 LEU CB C 13 42.836 0.000 . 1 . . . . . 32 LEU CB . 27745 1 150 . 1 . 1 32 32 LEU N N 15 120.487 0.035 . 1 . . . . . 32 LEU N . 27745 1 151 . 1 . 1 33 33 GLY H H 1 8.652 0.004 . 1 . . . . . 33 GLY H . 27745 1 152 . 1 . 1 33 33 GLY C C 13 175.135 0.013 . 1 . . . . . 33 GLY C . 27745 1 153 . 1 . 1 33 33 GLY CA C 13 48.368 0.000 . 1 . . . . . 33 GLY CA . 27745 1 154 . 1 . 1 33 33 GLY N N 15 105.653 0.010 . 1 . . . . . 33 GLY N . 27745 1 155 . 1 . 1 34 34 THR H H 1 7.970 0.003 . 1 . . . . . 34 THR H . 27745 1 156 . 1 . 1 34 34 THR C C 13 177.186 0.009 . 1 . . . . . 34 THR C . 27745 1 157 . 1 . 1 34 34 THR CA C 13 67.071 0.000 . 1 . . . . . 34 THR CA . 27745 1 158 . 1 . 1 34 34 THR CB C 13 68.877 0.000 . 1 . . . . . 34 THR CB . 27745 1 159 . 1 . 1 34 34 THR N N 15 118.277 0.024 . 1 . . . . . 34 THR N . 27745 1 160 . 1 . 1 35 35 VAL H H 1 7.596 0.003 . 1 . . . . . 35 VAL H . 27745 1 161 . 1 . 1 35 35 VAL C C 13 179.258 0.003 . 1 . . . . . 35 VAL C . 27745 1 162 . 1 . 1 35 35 VAL CA C 13 66.387 0.000 . 1 . . . . . 35 VAL CA . 27745 1 163 . 1 . 1 35 35 VAL CB C 13 31.737 0.000 . 1 . . . . . 35 VAL CB . 27745 1 164 . 1 . 1 35 35 VAL N N 15 121.932 0.006 . 1 . . . . . 35 VAL N . 27745 1 165 . 1 . 1 36 36 MET H H 1 8.439 0.002 . 1 . . . . . 36 MET H . 27745 1 166 . 1 . 1 36 36 MET C C 13 179.151 0.005 . 1 . . . . . 36 MET C . 27745 1 167 . 1 . 1 36 36 MET CA C 13 59.312 0.000 . 1 . . . . . 36 MET CA . 27745 1 168 . 1 . 1 36 36 MET CB C 13 31.863 0.000 . 1 . . . . . 36 MET CB . 27745 1 169 . 1 . 1 36 36 MET N N 15 118.595 0.005 . 1 . . . . . 36 MET N . 27745 1 170 . 1 . 1 37 37 ARG H H 1 8.565 0.004 . 1 . . . . . 37 ARG H . 27745 1 171 . 1 . 1 37 37 ARG C C 13 181.337 0.024 . 1 . . . . . 37 ARG C . 27745 1 172 . 1 . 1 37 37 ARG CA C 13 59.344 0.000 . 1 . . . . . 37 ARG CA . 27745 1 173 . 1 . 1 37 37 ARG CB C 13 30.084 0.000 . 1 . . . . . 37 ARG CB . 27745 1 174 . 1 . 1 37 37 ARG N N 15 118.967 0.007 . 1 . . . . . 37 ARG N . 27745 1 175 . 1 . 1 38 38 SER H H 1 7.937 0.003 . 1 . . . . . 38 SER H . 27745 1 176 . 1 . 1 38 38 SER C C 13 174.895 0.033 . 1 . . . . . 38 SER C . 27745 1 177 . 1 . 1 38 38 SER CA C 13 61.593 0.000 . 1 . . . . . 38 SER CA . 27745 1 178 . 1 . 1 38 38 SER CB C 13 62.713 0.000 . 1 . . . . . 38 SER CB . 27745 1 179 . 1 . 1 38 38 SER N N 15 118.941 0.012 . 1 . . . . . 38 SER N . 27745 1 180 . 1 . 1 39 39 LEU H H 1 7.367 0.005 . 1 . . . . . 39 LEU H . 27745 1 181 . 1 . 1 39 39 LEU C C 13 177.303 0.035 . 1 . . . . . 39 LEU C . 27745 1 182 . 1 . 1 39 39 LEU CA C 13 54.574 0.000 . 1 . . . . . 39 LEU CA . 27745 1 183 . 1 . 1 39 39 LEU CB C 13 41.922 0.000 . 1 . . . . . 39 LEU CB . 27745 1 184 . 1 . 1 39 39 LEU N N 15 121.146 0.008 . 1 . . . . . 39 LEU N . 27745 1 185 . 1 . 1 40 40 GLY H H 1 7.878 0.004 . 1 . . . . . 40 GLY H . 27745 1 186 . 1 . 1 40 40 GLY C C 13 174.351 0.010 . 1 . . . . . 40 GLY C . 27745 1 187 . 1 . 1 40 40 GLY CA C 13 45.632 0.061 . 1 . . . . . 40 GLY CA . 27745 1 188 . 1 . 1 40 40 GLY N N 15 106.896 0.008 . 1 . . . . . 40 GLY N . 27745 1 189 . 1 . 1 41 41 GLN H H 1 7.830 0.004 . 1 . . . . . 41 GLN H . 27745 1 190 . 1 . 1 41 41 GLN C C 13 174.098 0.032 . 1 . . . . . 41 GLN C . 27745 1 191 . 1 . 1 41 41 GLN CA C 13 54.632 0.000 . 1 . . . . . 41 GLN CA . 27745 1 192 . 1 . 1 41 41 GLN CB C 13 30.691 0.042 . 1 . . . . . 41 GLN CB . 27745 1 193 . 1 . 1 41 41 GLN N N 15 118.490 0.011 . 1 . . . . . 41 GLN N . 27745 1 194 . 1 . 1 42 42 ASN H H 1 8.691 0.004 . 1 . . . . . 42 ASN H . 27745 1 195 . 1 . 1 42 42 ASN C C 13 171.991 0.000 . 1 . . . . . 42 ASN C . 27745 1 196 . 1 . 1 42 42 ASN CA C 13 51.341 0.000 . 1 . . . . . 42 ASN CA . 27745 1 197 . 1 . 1 42 42 ASN CB C 13 39.422 0.000 . 1 . . . . . 42 ASN CB . 27745 1 198 . 1 . 1 42 42 ASN N N 15 116.595 0.011 . 1 . . . . . 42 ASN N . 27745 1 199 . 1 . 1 43 43 PRO C C 13 177.653 0.006 . 1 . . . . . 43 PRO C . 27745 1 200 . 1 . 1 43 43 PRO CA C 13 62.325 0.006 . 1 . . . . . 43 PRO CA . 27745 1 201 . 1 . 1 43 43 PRO CB C 13 32.008 0.000 . 1 . . . . . 43 PRO CB . 27745 1 202 . 1 . 1 44 44 THR H H 1 8.737 0.004 . 1 . . . . . 44 THR H . 27745 1 203 . 1 . 1 44 44 THR C C 13 175.140 0.017 . 1 . . . . . 44 THR C . 27745 1 204 . 1 . 1 44 44 THR CA C 13 62.319 0.000 . 1 . . . . . 44 THR CA . 27745 1 205 . 1 . 1 44 44 THR CB C 13 71.118 0.000 . 1 . . . . . 44 THR CB . 27745 1 206 . 1 . 1 44 44 THR N N 15 113.151 0.013 . 1 . . . . . 44 THR N . 27745 1 207 . 1 . 1 45 45 GLU H H 1 8.791 0.004 . 1 . . . . . 45 GLU H . 27745 1 208 . 1 . 1 45 45 GLU C C 13 178.925 0.016 . 1 . . . . . 45 GLU C . 27745 1 209 . 1 . 1 45 45 GLU CA C 13 60.564 0.000 . 1 . . . . . 45 GLU CA . 27745 1 210 . 1 . 1 45 45 GLU CB C 13 29.103 0.000 . 1 . . . . . 45 GLU CB . 27745 1 211 . 1 . 1 45 45 GLU N N 15 120.792 0.015 . 1 . . . . . 45 GLU N . 27745 1 212 . 1 . 1 46 46 ALA H H 1 8.243 0.001 . 1 . . . . . 46 ALA H . 27745 1 213 . 1 . 1 46 46 ALA C C 13 180.209 0.014 . 1 . . . . . 46 ALA C . 27745 1 214 . 1 . 1 46 46 ALA CA C 13 55.145 0.000 . 1 . . . . . 46 ALA CA . 27745 1 215 . 1 . 1 46 46 ALA CB C 13 18.290 0.000 . 1 . . . . . 46 ALA CB . 27745 1 216 . 1 . 1 46 46 ALA N N 15 120.766 0.013 . 1 . . . . . 46 ALA N . 27745 1 217 . 1 . 1 47 47 GLU H H 1 7.689 0.002 . 1 . . . . . 47 GLU H . 27745 1 218 . 1 . 1 47 47 GLU C C 13 180.128 0.005 . 1 . . . . . 47 GLU C . 27745 1 219 . 1 . 1 47 47 GLU CA C 13 59.084 0.000 . 1 . . . . . 47 GLU CA . 27745 1 220 . 1 . 1 47 47 GLU CB C 13 29.915 0.000 . 1 . . . . . 47 GLU CB . 27745 1 221 . 1 . 1 47 47 GLU N N 15 118.734 0.006 . 1 . . . . . 47 GLU N . 27745 1 222 . 1 . 1 48 48 LEU H H 1 8.121 0.002 . 1 . . . . . 48 LEU H . 27745 1 223 . 1 . 1 48 48 LEU C C 13 178.568 0.005 . 1 . . . . . 48 LEU C . 27745 1 224 . 1 . 1 48 48 LEU CA C 13 57.765 0.000 . 1 . . . . . 48 LEU CA . 27745 1 225 . 1 . 1 48 48 LEU CB C 13 42.455 0.048 . 1 . . . . . 48 LEU CB . 27745 1 226 . 1 . 1 48 48 LEU N N 15 120.287 0.084 . 1 . . . . . 48 LEU N . 27745 1 227 . 1 . 1 49 49 GLN H H 1 8.214 0.004 . 1 . . . . . 49 GLN H . 27745 1 228 . 1 . 1 49 49 GLN C C 13 178.471 0.011 . 1 . . . . . 49 GLN C . 27745 1 229 . 1 . 1 49 49 GLN CA C 13 58.542 0.000 . 1 . . . . . 49 GLN CA . 27745 1 230 . 1 . 1 49 49 GLN CB C 13 28.203 0.000 . 1 . . . . . 49 GLN CB . 27745 1 231 . 1 . 1 49 49 GLN N N 15 118.489 0.025 . 1 . . . . . 49 GLN N . 27745 1 232 . 1 . 1 50 50 ASP H H 1 8.094 0.004 . 1 . . . . . 50 ASP H . 27745 1 233 . 1 . 1 50 50 ASP C C 13 178.659 0.023 . 1 . . . . . 50 ASP C . 27745 1 234 . 1 . 1 50 50 ASP CA C 13 57.489 0.014 . 1 . . . . . 50 ASP CA . 27745 1 235 . 1 . 1 50 50 ASP CB C 13 40.398 0.000 . 1 . . . . . 50 ASP CB . 27745 1 236 . 1 . 1 50 50 ASP N N 15 119.996 0.013 . 1 . . . . . 50 ASP N . 27745 1 237 . 1 . 1 51 51 MET H H 1 7.795 0.003 . 1 . . . . . 51 MET H . 27745 1 238 . 1 . 1 51 51 MET C C 13 178.839 0.037 . 1 . . . . . 51 MET C . 27745 1 239 . 1 . 1 51 51 MET CA C 13 59.376 0.010 . 1 . . . . . 51 MET CA . 27745 1 240 . 1 . 1 51 51 MET CB C 13 33.459 0.000 . 1 . . . . . 51 MET CB . 27745 1 241 . 1 . 1 51 51 MET N N 15 119.184 0.006 . 1 . . . . . 51 MET N . 27745 1 242 . 1 . 1 52 52 ILE H H 1 7.713 0.005 . 1 . . . . . 52 ILE H . 27745 1 243 . 1 . 1 52 52 ILE C C 13 177.926 0.000 . 1 . . . . . 52 ILE C . 27745 1 244 . 1 . 1 52 52 ILE CA C 13 64.461 0.027 . 1 . . . . . 52 ILE CA . 27745 1 245 . 1 . 1 52 52 ILE CB C 13 37.128 0.000 . 1 . . . . . 52 ILE CB . 27745 1 246 . 1 . 1 52 52 ILE N N 15 118.147 0.007 . 1 . . . . . 52 ILE N . 27745 1 247 . 1 . 1 53 53 ASN H H 1 8.596 0.004 . 1 . . . . . 53 ASN H . 27745 1 248 . 1 . 1 53 53 ASN C C 13 177.239 0.027 . 1 . . . . . 53 ASN C . 27745 1 249 . 1 . 1 53 53 ASN CA C 13 55.926 0.000 . 1 . . . . . 53 ASN CA . 27745 1 250 . 1 . 1 53 53 ASN CB C 13 38.111 0.000 . 1 . . . . . 53 ASN CB . 27745 1 251 . 1 . 1 53 53 ASN N N 15 117.951 0.015 . 1 . . . . . 53 ASN N . 27745 1 252 . 1 . 1 54 54 GLU H H 1 7.504 0.003 . 1 . . . . . 54 GLU H . 27745 1 253 . 1 . 1 54 54 GLU C C 13 177.323 0.018 . 1 . . . . . 54 GLU C . 27745 1 254 . 1 . 1 54 54 GLU CA C 13 58.838 0.000 . 1 . . . . . 54 GLU CA . 27745 1 255 . 1 . 1 54 54 GLU CB C 13 30.489 0.000 . 1 . . . . . 54 GLU CB . 27745 1 256 . 1 . 1 54 54 GLU N N 15 116.321 0.010 . 1 . . . . . 54 GLU N . 27745 1 257 . 1 . 1 55 55 VAL H H 1 7.204 0.006 . 1 . . . . . 55 VAL H . 27745 1 258 . 1 . 1 55 55 VAL C C 13 175.746 0.000 . 1 . . . . . 55 VAL C . 27745 1 259 . 1 . 1 55 55 VAL CA C 13 60.960 0.000 . 1 . . . . . 55 VAL CA . 27745 1 260 . 1 . 1 55 55 VAL CB C 13 32.959 0.000 . 1 . . . . . 55 VAL CB . 27745 1 261 . 1 . 1 55 55 VAL N N 15 109.527 0.002 . 1 . . . . . 55 VAL N . 27745 1 262 . 1 . 1 56 56 ASP H H 1 7.723 0.006 . 1 . . . . . 56 ASP H . 27745 1 263 . 1 . 1 56 56 ASP C C 13 176.003 0.043 . 1 . . . . . 56 ASP C . 27745 1 264 . 1 . 1 56 56 ASP CA C 13 53.844 0.000 . 1 . . . . . 56 ASP CA . 27745 1 265 . 1 . 1 56 56 ASP CB C 13 40.454 0.000 . 1 . . . . . 56 ASP CB . 27745 1 266 . 1 . 1 56 56 ASP N N 15 121.497 0.013 . 1 . . . . . 56 ASP N . 27745 1 267 . 1 . 1 57 57 ALA H H 1 8.373 0.004 . 1 . . . . . 57 ALA H . 27745 1 268 . 1 . 1 57 57 ALA C C 13 178.669 0.003 . 1 . . . . . 57 ALA C . 27745 1 269 . 1 . 1 57 57 ALA CA C 13 54.224 0.000 . 1 . . . . . 57 ALA CA . 27745 1 270 . 1 . 1 57 57 ALA CB C 13 19.711 0.000 . 1 . . . . . 57 ALA CB . 27745 1 271 . 1 . 1 57 57 ALA N N 15 131.726 0.011 . 1 . . . . . 57 ALA N . 27745 1 272 . 1 . 1 58 58 ASP H H 1 8.161 0.003 . 1 . . . . . 58 ASP H . 27745 1 273 . 1 . 1 58 58 ASP C C 13 177.761 0.001 . 1 . . . . . 58 ASP C . 27745 1 274 . 1 . 1 58 58 ASP CA C 13 52.746 0.000 . 1 . . . . . 58 ASP CA . 27745 1 275 . 1 . 1 58 58 ASP CB C 13 39.894 0.000 . 1 . . . . . 58 ASP CB . 27745 1 276 . 1 . 1 58 58 ASP N N 15 113.936 0.009 . 1 . . . . . 58 ASP N . 27745 1 277 . 1 . 1 59 59 GLY H H 1 7.563 0.003 . 1 . . . . . 59 GLY H . 27745 1 278 . 1 . 1 59 59 GLY C C 13 174.960 0.000 . 1 . . . . . 59 GLY C . 27745 1 279 . 1 . 1 59 59 GLY CA C 13 47.164 0.008 . 1 . . . . . 59 GLY CA . 27745 1 280 . 1 . 1 59 59 GLY N N 15 108.598 0.004 . 1 . . . . . 59 GLY N . 27745 1 281 . 1 . 1 60 60 ASN H H 1 8.136 0.003 . 1 . . . . . 60 ASN H . 27745 1 282 . 1 . 1 60 60 ASN C C 13 176.853 0.006 . 1 . . . . . 60 ASN C . 27745 1 283 . 1 . 1 60 60 ASN CA C 13 52.737 0.000 . 1 . . . . . 60 ASN CA . 27745 1 284 . 1 . 1 60 60 ASN CB C 13 37.625 0.026 . 1 . . . . . 60 ASN CB . 27745 1 285 . 1 . 1 60 60 ASN N N 15 118.690 0.017 . 1 . . . . . 60 ASN N . 27745 1 286 . 1 . 1 61 61 GLY H H 1 10.581 0.004 . 1 . . . . . 61 GLY H . 27745 1 287 . 1 . 1 61 61 GLY C C 13 173.291 0.001 . 1 . . . . . 61 GLY C . 27745 1 288 . 1 . 1 61 61 GLY CA C 13 45.790 0.000 . 1 . . . . . 61 GLY CA . 27745 1 289 . 1 . 1 61 61 GLY N N 15 113.402 0.010 . 1 . . . . . 61 GLY N . 27745 1 290 . 1 . 1 62 62 THR H H 1 7.672 0.002 . 1 . . . . . 62 THR H . 27745 1 291 . 1 . 1 62 62 THR C C 13 173.299 0.002 . 1 . . . . . 62 THR C . 27745 1 292 . 1 . 1 62 62 THR CA C 13 59.538 0.000 . 1 . . . . . 62 THR CA . 27745 1 293 . 1 . 1 62 62 THR CB C 13 72.209 0.000 . 1 . . . . . 62 THR CB . 27745 1 294 . 1 . 1 62 62 THR N N 15 108.758 0.005 . 1 . . . . . 62 THR N . 27745 1 295 . 1 . 1 63 63 ILE H H 1 8.801 0.008 . 1 . . . . . 63 ILE H . 27745 1 296 . 1 . 1 63 63 ILE C C 13 175.540 0.024 . 1 . . . . . 63 ILE C . 27745 1 297 . 1 . 1 63 63 ILE CA C 13 59.639 0.000 . 1 . . . . . 63 ILE CA . 27745 1 298 . 1 . 1 63 63 ILE CB C 13 40.097 0.000 . 1 . . . . . 63 ILE CB . 27745 1 299 . 1 . 1 63 63 ILE N N 15 123.371 0.037 . 1 . . . . . 63 ILE N . 27745 1 300 . 1 . 1 64 64 ASP H H 1 8.900 0.004 . 1 . . . . . 64 ASP H . 27745 1 301 . 1 . 1 64 64 ASP C C 13 176.321 0.019 . 1 . . . . . 64 ASP C . 27745 1 302 . 1 . 1 64 64 ASP CA C 13 52.273 0.000 . 1 . . . . . 64 ASP CA . 27745 1 303 . 1 . 1 64 64 ASP CB C 13 42.299 0.000 . 1 . . . . . 64 ASP CB . 27745 1 304 . 1 . 1 64 64 ASP N N 15 128.378 0.015 . 1 . . . . . 64 ASP N . 27745 1 305 . 1 . 1 65 65 PHE H H 1 8.813 0.006 . 1 . . . . . 65 PHE H . 27745 1 306 . 1 . 1 65 65 PHE C C 13 173.548 0.000 . 1 . . . . . 65 PHE C . 27745 1 307 . 1 . 1 65 65 PHE CA C 13 63.300 0.000 . 1 . . . . . 65 PHE CA . 27745 1 308 . 1 . 1 65 65 PHE CB C 13 42.246 0.000 . 1 . . . . . 65 PHE CB . 27745 1 309 . 1 . 1 65 65 PHE N N 15 118.905 0.026 . 1 . . . . . 65 PHE N . 27745 1 310 . 1 . 1 66 66 PRO C C 13 180.027 0.000 . 1 . . . . . 66 PRO C . 27745 1 311 . 1 . 1 66 66 PRO CA C 13 66.766 0.000 . 1 . . . . . 66 PRO CA . 27745 1 312 . 1 . 1 66 66 PRO CB C 13 30.684 0.000 . 1 . . . . . 66 PRO CB . 27745 1 313 . 1 . 1 67 67 GLU H H 1 8.084 0.004 . 1 . . . . . 67 GLU H . 27745 1 314 . 1 . 1 67 67 GLU C C 13 179.054 0.011 . 1 . . . . . 67 GLU C . 27745 1 315 . 1 . 1 67 67 GLU CA C 13 58.814 0.000 . 1 . . . . . 67 GLU CA . 27745 1 316 . 1 . 1 67 67 GLU CB C 13 29.608 0.000 . 1 . . . . . 67 GLU CB . 27745 1 317 . 1 . 1 67 67 GLU N N 15 117.746 0.014 . 1 . . . . . 67 GLU N . 27745 1 318 . 1 . 1 68 68 PHE H H 1 8.825 0.004 . 1 . . . . . 68 PHE H . 27745 1 319 . 1 . 1 68 68 PHE C C 13 176.884 0.043 . 1 . . . . . 68 PHE C . 27745 1 320 . 1 . 1 68 68 PHE CA C 13 61.464 0.000 . 1 . . . . . 68 PHE CA . 27745 1 321 . 1 . 1 68 68 PHE CB C 13 40.336 0.000 . 1 . . . . . 68 PHE CB . 27745 1 322 . 1 . 1 68 68 PHE N N 15 123.700 0.021 . 1 . . . . . 68 PHE N . 27745 1 323 . 1 . 1 69 69 LEU H H 1 8.554 0.002 . 1 . . . . . 69 LEU H . 27745 1 324 . 1 . 1 69 69 LEU C C 13 179.060 0.000 . 1 . . . . . 69 LEU C . 27745 1 325 . 1 . 1 69 69 LEU CA C 13 58.039 0.000 . 1 . . . . . 69 LEU CA . 27745 1 326 . 1 . 1 69 69 LEU CB C 13 41.102 0.000 . 1 . . . . . 69 LEU CB . 27745 1 327 . 1 . 1 69 69 LEU N N 15 119.466 0.044 . 1 . . . . . 69 LEU N . 27745 1 328 . 1 . 1 70 70 THR H H 1 7.580 0.004 . 1 . . . . . 70 THR H . 27745 1 329 . 1 . 1 70 70 THR C C 13 176.200 0.000 . 1 . . . . . 70 THR C . 27745 1 330 . 1 . 1 70 70 THR CA C 13 66.489 0.000 . 1 . . . . . 70 THR CA . 27745 1 331 . 1 . 1 70 70 THR CB C 13 68.508 0.000 . 1 . . . . . 70 THR CB . 27745 1 332 . 1 . 1 70 70 THR N N 15 115.478 0.011 . 1 . . . . . 70 THR N . 27745 1 333 . 1 . 1 71 71 MET H H 1 7.639 0.004 . 1 . . . . . 71 MET H . 27745 1 334 . 1 . 1 71 71 MET C C 13 177.998 0.026 . 1 . . . . . 71 MET C . 27745 1 335 . 1 . 1 71 71 MET CA C 13 58.948 0.000 . 1 . . . . . 71 MET CA . 27745 1 336 . 1 . 1 71 71 MET CB C 13 32.749 0.000 . 1 . . . . . 71 MET CB . 27745 1 337 . 1 . 1 71 71 MET N N 15 121.328 0.010 . 1 . . . . . 71 MET N . 27745 1 338 . 1 . 1 72 72 MET H H 1 8.056 0.006 . 1 . . . . . 72 MET H . 27745 1 339 . 1 . 1 72 72 MET C C 13 178.311 0.000 . 1 . . . . . 72 MET C . 27745 1 340 . 1 . 1 72 72 MET CA C 13 56.052 0.033 . 1 . . . . . 72 MET CA . 27745 1 341 . 1 . 1 72 72 MET CB C 13 31.117 0.000 . 1 . . . . . 72 MET CB . 27745 1 342 . 1 . 1 72 72 MET N N 15 117.337 0.035 . 1 . . . . . 72 MET N . 27745 1 343 . 1 . 1 73 73 ALA H H 1 8.172 0.004 . 1 . . . . . 73 ALA H . 27745 1 344 . 1 . 1 73 73 ALA C C 13 179.771 0.016 . 1 . . . . . 73 ALA C . 27745 1 345 . 1 . 1 73 73 ALA CA C 13 54.698 0.000 . 1 . . . . . 73 ALA CA . 27745 1 346 . 1 . 1 73 73 ALA CB C 13 18.150 0.000 . 1 . . . . . 73 ALA CB . 27745 1 347 . 1 . 1 73 73 ALA N N 15 121.652 0.006 . 1 . . . . . 73 ALA N . 27745 1 348 . 1 . 1 74 74 ARG H H 1 7.512 0.004 . 1 . . . . . 74 ARG H . 27745 1 349 . 1 . 1 74 74 ARG C C 13 177.968 0.143 . 1 . . . . . 74 ARG C . 27745 1 350 . 1 . 1 74 74 ARG CA C 13 58.235 0.000 . 1 . . . . . 74 ARG CA . 27745 1 351 . 1 . 1 74 74 ARG CB C 13 30.335 0.000 . 1 . . . . . 74 ARG CB . 27745 1 352 . 1 . 1 74 74 ARG N N 15 116.666 0.011 . 1 . . . . . 74 ARG N . 27745 1 353 . 1 . 1 75 75 LYS H H 1 7.499 0.004 . 1 . . . . . 75 LYS H . 27745 1 354 . 1 . 1 75 75 LYS N N 15 118.841 0.001 . 1 . . . . . 75 LYS N . 27745 1 355 . 1 . 1 76 76 MET CA C 13 56.440 0.000 . 1 . . . . . 76 MET CA . 27745 1 356 . 1 . 1 76 76 MET CB C 13 32.365 0.000 . 1 . . . . . 76 MET CB . 27745 1 357 . 1 . 1 77 77 LYS H H 1 7.807 0.003 . 1 . . . . . 77 LYS H . 27745 1 358 . 1 . 1 77 77 LYS C C 13 176.052 0.000 . 1 . . . . . 77 LYS C . 27745 1 359 . 1 . 1 77 77 LYS CA C 13 56.622 0.082 . 1 . . . . . 77 LYS CA . 27745 1 360 . 1 . 1 77 77 LYS CB C 13 33.094 0.093 . 1 . . . . . 77 LYS CB . 27745 1 361 . 1 . 1 77 77 LYS N N 15 120.402 0.006 . 1 . . . . . 77 LYS N . 27745 1 362 . 1 . 1 78 78 ASP H H 1 8.594 0.002 . 1 . . . . . 78 ASP H . 27745 1 363 . 1 . 1 78 78 ASP C C 13 176.326 0.010 . 1 . . . . . 78 ASP C . 27745 1 364 . 1 . 1 78 78 ASP CA C 13 54.862 0.000 . 1 . . . . . 78 ASP CA . 27745 1 365 . 1 . 1 78 78 ASP CB C 13 41.176 0.000 . 1 . . . . . 78 ASP CB . 27745 1 366 . 1 . 1 78 78 ASP N N 15 122.278 0.067 . 1 . . . . . 78 ASP N . 27745 1 367 . 1 . 1 79 79 THR H H 1 8.083 0.003 . 1 . . . . . 79 THR H . 27745 1 368 . 1 . 1 79 79 THR C C 13 174.543 0.009 . 1 . . . . . 79 THR C . 27745 1 369 . 1 . 1 79 79 THR CA C 13 62.052 0.000 . 1 . . . . . 79 THR CA . 27745 1 370 . 1 . 1 79 79 THR CB C 13 69.639 0.000 . 1 . . . . . 79 THR CB . 27745 1 371 . 1 . 1 79 79 THR N N 15 113.318 0.017 . 1 . . . . . 79 THR N . 27745 1 372 . 1 . 1 80 80 ASP H H 1 8.354 0.002 . 1 . . . . . 80 ASP H . 27745 1 373 . 1 . 1 80 80 ASP C C 13 176.713 0.012 . 1 . . . . . 80 ASP C . 27745 1 374 . 1 . 1 80 80 ASP CA C 13 54.873 0.000 . 1 . . . . . 80 ASP CA . 27745 1 375 . 1 . 1 80 80 ASP CB C 13 41.297 0.000 . 1 . . . . . 80 ASP CB . 27745 1 376 . 1 . 1 80 80 ASP N N 15 122.850 0.025 . 1 . . . . . 80 ASP N . 27745 1 377 . 1 . 1 81 81 SER H H 1 8.412 0.003 . 1 . . . . . 81 SER H . 27745 1 378 . 1 . 1 81 81 SER C C 13 175.442 0.005 . 1 . . . . . 81 SER C . 27745 1 379 . 1 . 1 81 81 SER CA C 13 59.534 0.000 . 1 . . . . . 81 SER CA . 27745 1 380 . 1 . 1 81 81 SER CB C 13 63.854 0.000 . 1 . . . . . 81 SER CB . 27745 1 381 . 1 . 1 81 81 SER N N 15 116.700 0.019 . 1 . . . . . 81 SER N . 27745 1 382 . 1 . 1 82 82 GLU H H 1 8.606 0.005 . 1 . . . . . 82 GLU H . 27745 1 383 . 1 . 1 82 82 GLU C C 13 178.336 0.011 . 1 . . . . . 82 GLU C . 27745 1 384 . 1 . 1 82 82 GLU CA C 13 59.480 0.000 . 1 . . . . . 82 GLU CA . 27745 1 385 . 1 . 1 82 82 GLU CB C 13 29.491 0.000 . 1 . . . . . 82 GLU CB . 27745 1 386 . 1 . 1 82 82 GLU N N 15 122.583 0.015 . 1 . . . . . 82 GLU N . 27745 1 387 . 1 . 1 83 83 GLU H H 1 8.338 0.004 . 1 . . . . . 83 GLU H . 27745 1 388 . 1 . 1 83 83 GLU C C 13 178.621 0.021 . 1 . . . . . 83 GLU C . 27745 1 389 . 1 . 1 83 83 GLU CA C 13 59.479 0.000 . 1 . . . . . 83 GLU CA . 27745 1 390 . 1 . 1 83 83 GLU CB C 13 29.547 0.000 . 1 . . . . . 83 GLU CB . 27745 1 391 . 1 . 1 83 83 GLU N N 15 119.124 0.015 . 1 . . . . . 83 GLU N . 27745 1 392 . 1 . 1 84 84 GLU H H 1 8.071 0.005 . 1 . . . . . 84 GLU H . 27745 1 393 . 1 . 1 84 84 GLU C C 13 178.615 0.000 . 1 . . . . . 84 GLU C . 27745 1 394 . 1 . 1 84 84 GLU CA C 13 59.853 0.000 . 1 . . . . . 84 GLU CA . 27745 1 395 . 1 . 1 84 84 GLU CB C 13 29.911 0.000 . 1 . . . . . 84 GLU CB . 27745 1 396 . 1 . 1 84 84 GLU N N 15 118.984 0.059 . 1 . . . . . 84 GLU N . 27745 1 397 . 1 . 1 85 85 ILE C C 13 177.908 0.000 . 1 . . . . . 85 ILE C . 27745 1 398 . 1 . 1 85 85 ILE CA C 13 64.985 0.000 . 1 . . . . . 85 ILE CA . 27745 1 399 . 1 . 1 86 86 ARG H H 1 8.260 0.015 . 1 . . . . . 86 ARG H . 27745 1 400 . 1 . 1 86 86 ARG C C 13 179.207 0.010 . 1 . . . . . 86 ARG C . 27745 1 401 . 1 . 1 86 86 ARG CA C 13 59.963 0.000 . 1 . . . . . 86 ARG CA . 27745 1 402 . 1 . 1 86 86 ARG CB C 13 29.604 0.000 . 1 . . . . . 86 ARG CB . 27745 1 403 . 1 . 1 86 86 ARG N N 15 121.221 0.011 . 1 . . . . . 86 ARG N . 27745 1 404 . 1 . 1 87 87 GLU H H 1 8.035 0.005 . 1 . . . . . 87 GLU H . 27745 1 405 . 1 . 1 87 87 GLU C C 13 178.643 0.003 . 1 . . . . . 87 GLU C . 27745 1 406 . 1 . 1 87 87 GLU CA C 13 59.105 0.000 . 1 . . . . . 87 GLU CA . 27745 1 407 . 1 . 1 87 87 GLU CB C 13 29.576 0.000 . 1 . . . . . 87 GLU CB . 27745 1 408 . 1 . 1 87 87 GLU N N 15 118.742 0.022 . 1 . . . . . 87 GLU N . 27745 1 409 . 1 . 1 88 88 ALA H H 1 8.077 0.009 . 1 . . . . . 88 ALA H . 27745 1 410 . 1 . 1 88 88 ALA C C 13 178.867 0.010 . 1 . . . . . 88 ALA C . 27745 1 411 . 1 . 1 88 88 ALA CA C 13 55.704 0.000 . 1 . . . . . 88 ALA CA . 27745 1 412 . 1 . 1 88 88 ALA CB C 13 16.893 0.037 . 1 . . . . . 88 ALA CB . 27745 1 413 . 1 . 1 88 88 ALA N N 15 122.022 0.011 . 1 . . . . . 88 ALA N . 27745 1 414 . 1 . 1 89 89 PHE H H 1 8.483 0.005 . 1 . . . . . 89 PHE H . 27745 1 415 . 1 . 1 89 89 PHE C C 13 176.191 0.055 . 1 . . . . . 89 PHE C . 27745 1 416 . 1 . 1 89 89 PHE CA C 13 55.464 0.000 . 1 . . . . . 89 PHE CA . 27745 1 417 . 1 . 1 89 89 PHE CB C 13 38.858 0.000 . 1 . . . . . 89 PHE CB . 27745 1 418 . 1 . 1 89 89 PHE N N 15 118.589 0.041 . 1 . . . . . 89 PHE N . 27745 1 419 . 1 . 1 90 90 ARG H H 1 7.434 0.003 . 1 . . . . . 90 ARG H . 27745 1 420 . 1 . 1 90 90 ARG C C 13 178.012 0.000 . 1 . . . . . 90 ARG C . 27745 1 421 . 1 . 1 90 90 ARG CA C 13 58.634 0.000 . 1 . . . . . 90 ARG CA . 27745 1 422 . 1 . 1 90 90 ARG N N 15 114.650 0.006 . 1 . . . . . 90 ARG N . 27745 1 423 . 1 . 1 91 91 VAL H H 1 7.390 0.006 . 1 . . . . . 91 VAL H . 27745 1 424 . 1 . 1 91 91 VAL CA C 13 65.461 0.000 . 1 . . . . . 91 VAL CA . 27745 1 425 . 1 . 1 91 91 VAL CB C 13 31.204 0.000 . 1 . . . . . 91 VAL CB . 27745 1 426 . 1 . 1 91 91 VAL N N 15 118.826 0.004 . 1 . . . . . 91 VAL N . 27745 1 427 . 1 . 1 93 93 ASP H H 1 7.827 0.012 . 1 . . . . . 93 ASP H . 27745 1 428 . 1 . 1 93 93 ASP C C 13 177.783 0.000 . 1 . . . . . 93 ASP C . 27745 1 429 . 1 . 1 93 93 ASP CA C 13 51.818 0.129 . 1 . . . . . 93 ASP CA . 27745 1 430 . 1 . 1 93 93 ASP CB C 13 38.168 0.077 . 1 . . . . . 93 ASP CB . 27745 1 431 . 1 . 1 93 93 ASP N N 15 115.831 0.004 . 1 . . . . . 93 ASP N . 27745 1 432 . 1 . 1 94 94 LYS H H 1 7.511 0.006 . 1 . . . . . 94 LYS H . 27745 1 433 . 1 . 1 94 94 LYS C C 13 178.211 0.000 . 1 . . . . . 94 LYS C . 27745 1 434 . 1 . 1 94 94 LYS CA C 13 59.229 0.000 . 1 . . . . . 94 LYS CA . 27745 1 435 . 1 . 1 94 94 LYS CB C 13 32.852 0.000 . 1 . . . . . 94 LYS CB . 27745 1 436 . 1 . 1 94 94 LYS N N 15 125.645 0.011 . 1 . . . . . 94 LYS N . 27745 1 437 . 1 . 1 95 95 ASP H H 1 8.325 0.005 . 1 . . . . . 95 ASP H . 27745 1 438 . 1 . 1 95 95 ASP C C 13 177.761 0.025 . 1 . . . . . 95 ASP C . 27745 1 439 . 1 . 1 95 95 ASP CA C 13 53.159 0.000 . 1 . . . . . 95 ASP CA . 27745 1 440 . 1 . 1 95 95 ASP CB C 13 39.787 0.000 . 1 . . . . . 95 ASP CB . 27745 1 441 . 1 . 1 95 95 ASP N N 15 114.023 0.008 . 1 . . . . . 95 ASP N . 27745 1 442 . 1 . 1 96 96 GLY H H 1 7.835 0.007 . 1 . . . . . 96 GLY H . 27745 1 443 . 1 . 1 96 96 GLY C C 13 175.137 0.051 . 1 . . . . . 96 GLY C . 27745 1 444 . 1 . 1 96 96 GLY CA C 13 47.203 0.000 . 1 . . . . . 96 GLY CA . 27745 1 445 . 1 . 1 96 96 GLY N N 15 109.600 0.011 . 1 . . . . . 96 GLY N . 27745 1 446 . 1 . 1 97 97 ASN H H 1 8.350 0.002 . 1 . . . . . 97 ASN H . 27745 1 447 . 1 . 1 97 97 ASN C C 13 176.041 0.010 . 1 . . . . . 97 ASN C . 27745 1 448 . 1 . 1 97 97 ASN CA C 13 52.737 0.000 . 1 . . . . . 97 ASN CA . 27745 1 449 . 1 . 1 97 97 ASN CB C 13 38.233 0.000 . 1 . . . . . 97 ASN CB . 27745 1 450 . 1 . 1 97 97 ASN N N 15 119.882 0.022 . 1 . . . . . 97 ASN N . 27745 1 451 . 1 . 1 98 98 GLY H H 1 10.700 0.003 . 1 . . . . . 98 GLY H . 27745 1 452 . 1 . 1 98 98 GLY C C 13 172.475 0.007 . 1 . . . . . 98 GLY C . 27745 1 453 . 1 . 1 98 98 GLY CA C 13 45.032 0.000 . 1 . . . . . 98 GLY CA . 27745 1 454 . 1 . 1 98 98 GLY N N 15 113.103 0.019 . 1 . . . . . 98 GLY N . 27745 1 455 . 1 . 1 99 99 TYR H H 1 7.633 0.003 . 1 . . . . . 99 TYR H . 27745 1 456 . 1 . 1 99 99 TYR C C 13 174.588 0.015 . 1 . . . . . 99 TYR C . 27745 1 457 . 1 . 1 99 99 TYR CA C 13 56.159 0.000 . 1 . . . . . 99 TYR CA . 27745 1 458 . 1 . 1 99 99 TYR CB C 13 43.128 0.000 . 1 . . . . . 99 TYR CB . 27745 1 459 . 1 . 1 99 99 TYR N N 15 116.212 0.036 . 1 . . . . . 99 TYR N . 27745 1 460 . 1 . 1 100 100 ILE H H 1 10.148 0.004 . 1 . . . . . 100 ILE H . 27745 1 461 . 1 . 1 100 100 ILE C C 13 175.541 0.003 . 1 . . . . . 100 ILE C . 27745 1 462 . 1 . 1 100 100 ILE CA C 13 61.008 0.000 . 1 . . . . . 100 ILE CA . 27745 1 463 . 1 . 1 100 100 ILE CB C 13 43.061 0.000 . 1 . . . . . 100 ILE CB . 27745 1 464 . 1 . 1 100 100 ILE N N 15 127.435 0.047 . 1 . . . . . 100 ILE N . 27745 1 465 . 1 . 1 101 101 SER H H 1 8.901 0.007 . 1 . . . . . 101 SER H . 27745 1 466 . 1 . 1 101 101 SER C C 13 175.174 0.023 . 1 . . . . . 101 SER C . 27745 1 467 . 1 . 1 101 101 SER CA C 13 60.803 0.000 . 1 . . . . . 101 SER CA . 27745 1 468 . 1 . 1 101 101 SER CB C 13 66.710 0.014 . 1 . . . . . 101 SER CB . 27745 1 469 . 1 . 1 101 101 SER N N 15 123.843 0.017 . 1 . . . . . 101 SER N . 27745 1 470 . 1 . 1 102 102 ALA H H 1 9.303 0.003 . 1 . . . . . 102 ALA H . 27745 1 471 . 1 . 1 102 102 ALA C C 13 179.311 0.011 . 1 . . . . . 102 ALA C . 27745 1 472 . 1 . 1 102 102 ALA CA C 13 55.622 0.000 . 1 . . . . . 102 ALA CA . 27745 1 473 . 1 . 1 102 102 ALA CB C 13 18.070 0.000 . 1 . . . . . 102 ALA CB . 27745 1 474 . 1 . 1 102 102 ALA N N 15 123.261 0.013 . 1 . . . . . 102 ALA N . 27745 1 475 . 1 . 1 103 103 ALA H H 1 8.297 0.004 . 1 . . . . . 103 ALA H . 27745 1 476 . 1 . 1 103 103 ALA C C 13 181.535 0.019 . 1 . . . . . 103 ALA C . 27745 1 477 . 1 . 1 103 103 ALA CA C 13 56.145 0.000 . 1 . . . . . 103 ALA CA . 27745 1 478 . 1 . 1 103 103 ALA CB C 13 18.006 0.000 . 1 . . . . . 103 ALA CB . 27745 1 479 . 1 . 1 103 103 ALA N N 15 118.502 0.008 . 1 . . . . . 103 ALA N . 27745 1 480 . 1 . 1 104 104 GLU H H 1 7.906 0.004 . 1 . . . . . 104 GLU H . 27745 1 481 . 1 . 1 104 104 GLU C C 13 178.310 0.020 . 1 . . . . . 104 GLU C . 27745 1 482 . 1 . 1 104 104 GLU CA C 13 55.197 0.000 . 1 . . . . . 104 GLU CA . 27745 1 483 . 1 . 1 104 104 GLU CB C 13 29.339 0.000 . 1 . . . . . 104 GLU CB . 27745 1 484 . 1 . 1 104 104 GLU N N 15 119.966 0.014 . 1 . . . . . 104 GLU N . 27745 1 485 . 1 . 1 105 105 LEU H H 1 8.594 0.002 . 1 . . . . . 105 LEU H . 27745 1 486 . 1 . 1 105 105 LEU C C 13 178.543 0.000 . 1 . . . . . 105 LEU C . 27745 1 487 . 1 . 1 105 105 LEU CA C 13 58.590 0.013 . 1 . . . . . 105 LEU CA . 27745 1 488 . 1 . 1 105 105 LEU CB C 13 41.994 0.000 . 1 . . . . . 105 LEU CB . 27745 1 489 . 1 . 1 105 105 LEU N N 15 119.745 0.010 . 1 . . . . . 105 LEU N . 27745 1 490 . 1 . 1 106 106 ARG H H 1 8.696 0.007 . 1 . . . . . 106 ARG H . 27745 1 491 . 1 . 1 106 106 ARG C C 13 178.884 0.000 . 1 . . . . . 106 ARG C . 27745 1 492 . 1 . 1 106 106 ARG CA C 13 60.089 0.000 . 1 . . . . . 106 ARG CA . 27745 1 493 . 1 . 1 106 106 ARG CB C 13 31.062 0.008 . 1 . . . . . 106 ARG CB . 27745 1 494 . 1 . 1 106 106 ARG N N 15 116.904 0.042 . 1 . . . . . 106 ARG N . 27745 1 495 . 1 . 1 107 107 HIS H H 1 8.046 0.005 . 1 . . . . . 107 HIS H . 27745 1 496 . 1 . 1 107 107 HIS CA C 13 60.160 0.000 . 1 . . . . . 107 HIS CA . 27745 1 497 . 1 . 1 107 107 HIS CB C 13 31.020 0.000 . 1 . . . . . 107 HIS CB . 27745 1 498 . 1 . 1 107 107 HIS N N 15 119.688 0.009 . 1 . . . . . 107 HIS N . 27745 1 499 . 1 . 1 111 111 ASN C C 13 177.836 0.000 . 1 . . . . . 111 ASN C . 27745 1 500 . 1 . 1 111 111 ASN CA C 13 57.302 0.000 . 1 . . . . . 111 ASN CA . 27745 1 501 . 1 . 1 112 112 LEU H H 1 7.922 0.008 . 1 . . . . . 112 LEU H . 27745 1 502 . 1 . 1 112 112 LEU C C 13 176.563 0.037 . 1 . . . . . 112 LEU C . 27745 1 503 . 1 . 1 112 112 LEU CA C 13 54.763 0.000 . 1 . . . . . 112 LEU CA . 27745 1 504 . 1 . 1 112 112 LEU N N 15 118.575 0.026 . 1 . . . . . 112 LEU N . 27745 1 505 . 1 . 1 113 113 GLY H H 1 7.648 0.004 . 1 . . . . . 113 GLY H . 27745 1 506 . 1 . 1 113 113 GLY C C 13 174.233 0.051 . 1 . . . . . 113 GLY C . 27745 1 507 . 1 . 1 113 113 GLY CA C 13 46.082 0.000 . 1 . . . . . 113 GLY CA . 27745 1 508 . 1 . 1 113 113 GLY N N 15 105.843 0.002 . 1 . . . . . 113 GLY N . 27745 1 509 . 1 . 1 114 114 GLU H H 1 8.148 0.007 . 1 . . . . . 114 GLU H . 27745 1 510 . 1 . 1 114 114 GLU C C 13 176.369 0.000 . 1 . . . . . 114 GLU C . 27745 1 511 . 1 . 1 114 114 GLU CA C 13 54.651 0.000 . 1 . . . . . 114 GLU CA . 27745 1 512 . 1 . 1 114 114 GLU CB C 13 30.754 0.000 . 1 . . . . . 114 GLU CB . 27745 1 513 . 1 . 1 114 114 GLU N N 15 120.612 0.010 . 1 . . . . . 114 GLU N . 27745 1 514 . 1 . 1 115 115 LYS H H 1 8.669 0.001 . 1 . . . . . 115 LYS H . 27745 1 515 . 1 . 1 115 115 LYS C C 13 175.471 0.037 . 1 . . . . . 115 LYS C . 27745 1 516 . 1 . 1 115 115 LYS CA C 13 55.842 0.000 . 1 . . . . . 115 LYS CA . 27745 1 517 . 1 . 1 115 115 LYS CB C 13 32.723 0.000 . 1 . . . . . 115 LYS CB . 27745 1 518 . 1 . 1 115 115 LYS N N 15 125.167 0.030 . 1 . . . . . 115 LYS N . 27745 1 519 . 1 . 1 116 116 LEU H H 1 8.160 0.003 . 1 . . . . . 116 LEU H . 27745 1 520 . 1 . 1 116 116 LEU C C 13 177.854 0.098 . 1 . . . . . 116 LEU C . 27745 1 521 . 1 . 1 116 116 LEU CA C 13 53.865 0.000 . 1 . . . . . 116 LEU CA . 27745 1 522 . 1 . 1 116 116 LEU CB C 13 45.295 0.000 . 1 . . . . . 116 LEU CB . 27745 1 523 . 1 . 1 116 116 LEU N N 15 125.595 0.008 . 1 . . . . . 116 LEU N . 27745 1 524 . 1 . 1 117 117 THR H H 1 9.338 0.002 . 1 . . . . . 117 THR H . 27745 1 525 . 1 . 1 117 117 THR C C 13 175.460 0.011 . 1 . . . . . 117 THR C . 27745 1 526 . 1 . 1 117 117 THR CA C 13 60.722 0.009 . 1 . . . . . 117 THR CA . 27745 1 527 . 1 . 1 117 117 THR CB C 13 71.187 0.000 . 1 . . . . . 117 THR CB . 27745 1 528 . 1 . 1 117 117 THR N N 15 114.761 0.012 . 1 . . . . . 117 THR N . 27745 1 529 . 1 . 1 118 118 ASP H H 1 8.915 0.002 . 1 . . . . . 118 ASP H . 27745 1 530 . 1 . 1 118 118 ASP C C 13 178.572 0.002 . 1 . . . . . 118 ASP C . 27745 1 531 . 1 . 1 118 118 ASP CA C 13 58.154 0.025 . 1 . . . . . 118 ASP CA . 27745 1 532 . 1 . 1 118 118 ASP CB C 13 39.729 0.000 . 1 . . . . . 118 ASP CB . 27745 1 533 . 1 . 1 118 118 ASP N N 15 121.005 0.014 . 1 . . . . . 118 ASP N . 27745 1 534 . 1 . 1 119 119 GLU H H 1 8.665 0.003 . 1 . . . . . 119 GLU H . 27745 1 535 . 1 . 1 119 119 GLU C C 13 179.238 0.011 . 1 . . . . . 119 GLU C . 27745 1 536 . 1 . 1 119 119 GLU CA C 13 60.024 0.000 . 1 . . . . . 119 GLU CA . 27745 1 537 . 1 . 1 119 119 GLU CB C 13 29.194 0.000 . 1 . . . . . 119 GLU CB . 27745 1 538 . 1 . 1 119 119 GLU N N 15 119.157 0.087 . 1 . . . . . 119 GLU N . 27745 1 539 . 1 . 1 120 120 GLU H H 1 8.592 0.000 . 1 . . . . . 120 GLU H . 27745 1 540 . 1 . 1 120 120 GLU C C 13 179.878 0.015 . 1 . . . . . 120 GLU C . 27745 1 541 . 1 . 1 120 120 GLU CA C 13 59.411 0.000 . 1 . . . . . 120 GLU CA . 27745 1 542 . 1 . 1 120 120 GLU CB C 13 29.332 0.000 . 1 . . . . . 120 GLU CB . 27745 1 543 . 1 . 1 120 120 GLU N N 15 120.674 0.003 . 1 . . . . . 120 GLU N . 27745 1 544 . 1 . 1 121 121 VAL H H 1 8.072 0.004 . 1 . . . . . 121 VAL H . 27745 1 545 . 1 . 1 121 121 VAL C C 13 177.340 0.009 . 1 . . . . . 121 VAL C . 27745 1 546 . 1 . 1 121 121 VAL CA C 13 66.998 0.000 . 1 . . . . . 121 VAL CA . 27745 1 547 . 1 . 1 121 121 VAL CB C 13 31.578 0.000 . 1 . . . . . 121 VAL CB . 27745 1 548 . 1 . 1 121 121 VAL N N 15 120.304 0.006 . 1 . . . . . 121 VAL N . 27745 1 549 . 1 . 1 122 122 ASP H H 1 8.097 0.003 . 1 . . . . . 122 ASP H . 27745 1 550 . 1 . 1 122 122 ASP C C 13 179.297 0.061 . 1 . . . . . 122 ASP C . 27745 1 551 . 1 . 1 122 122 ASP CA C 13 57.782 0.000 . 1 . . . . . 122 ASP CA . 27745 1 552 . 1 . 1 122 122 ASP CB C 13 40.566 0.000 . 1 . . . . . 122 ASP CB . 27745 1 553 . 1 . 1 122 122 ASP N N 15 119.770 0.034 . 1 . . . . . 122 ASP N . 27745 1 554 . 1 . 1 123 123 GLU H H 1 7.977 0.005 . 1 . . . . . 123 GLU H . 27745 1 555 . 1 . 1 123 123 GLU C C 13 178.088 0.004 . 1 . . . . . 123 GLU C . 27745 1 556 . 1 . 1 123 123 GLU CA C 13 59.319 0.000 . 1 . . . . . 123 GLU CA . 27745 1 557 . 1 . 1 123 123 GLU CB C 13 29.489 0.000 . 1 . . . . . 123 GLU CB . 27745 1 558 . 1 . 1 123 123 GLU N N 15 119.577 0.016 . 1 . . . . . 123 GLU N . 27745 1 559 . 1 . 1 124 124 MET H H 1 7.847 0.002 . 1 . . . . . 124 MET H . 27745 1 560 . 1 . 1 124 124 MET C C 13 179.010 0.003 . 1 . . . . . 124 MET C . 27745 1 561 . 1 . 1 124 124 MET CA C 13 59.508 0.000 . 1 . . . . . 124 MET CA . 27745 1 562 . 1 . 1 124 124 MET CB C 13 33.448 0.000 . 1 . . . . . 124 MET CB . 27745 1 563 . 1 . 1 124 124 MET N N 15 119.660 0.003 . 1 . . . . . 124 MET N . 27745 1 564 . 1 . 1 125 125 ILE H H 1 7.958 0.004 . 1 . . . . . 125 ILE H . 27745 1 565 . 1 . 1 125 125 ILE C C 13 177.131 0.003 . 1 . . . . . 125 ILE C . 27745 1 566 . 1 . 1 125 125 ILE CA C 13 63.574 0.000 . 1 . . . . . 125 ILE CA . 27745 1 567 . 1 . 1 125 125 ILE CB C 13 36.105 0.000 . 1 . . . . . 125 ILE CB . 27745 1 568 . 1 . 1 125 125 ILE N N 15 117.982 0.058 . 1 . . . . . 125 ILE N . 27745 1 569 . 1 . 1 126 126 ARG H H 1 8.224 0.003 . 1 . . . . . 126 ARG H . 27745 1 570 . 1 . 1 126 126 ARG C C 13 179.366 0.006 . 1 . . . . . 126 ARG C . 27745 1 571 . 1 . 1 126 126 ARG CA C 13 59.867 0.000 . 1 . . . . . 126 ARG CA . 27745 1 572 . 1 . 1 126 126 ARG CB C 13 30.298 0.000 . 1 . . . . . 126 ARG CB . 27745 1 573 . 1 . 1 126 126 ARG N N 15 118.134 0.017 . 1 . . . . . 126 ARG N . 27745 1 574 . 1 . 1 127 127 GLU H H 1 7.976 0.003 . 1 . . . . . 127 GLU H . 27745 1 575 . 1 . 1 127 127 GLU C C 13 177.325 0.015 . 1 . . . . . 127 GLU C . 27745 1 576 . 1 . 1 127 127 GLU CA C 13 59.944 0.000 . 1 . . . . . 127 GLU CA . 27745 1 577 . 1 . 1 127 127 GLU CB C 13 29.695 0.000 . 1 . . . . . 127 GLU CB . 27745 1 578 . 1 . 1 127 127 GLU N N 15 116.267 0.015 . 1 . . . . . 127 GLU N . 27745 1 579 . 1 . 1 128 128 ALA H H 1 7.290 0.008 . 1 . . . . . 128 ALA H . 27745 1 580 . 1 . 1 128 128 ALA C C 13 177.909 0.008 . 1 . . . . . 128 ALA C . 27745 1 581 . 1 . 1 128 128 ALA CA C 13 52.119 0.000 . 1 . . . . . 128 ALA CA . 27745 1 582 . 1 . 1 128 128 ALA CB C 13 21.194 0.000 . 1 . . . . . 128 ALA CB . 27745 1 583 . 1 . 1 128 128 ALA N N 15 118.859 0.005 . 1 . . . . . 128 ALA N . 27745 1 584 . 1 . 1 129 129 ASP H H 1 7.891 0.003 . 1 . . . . . 129 ASP H . 27745 1 585 . 1 . 1 129 129 ASP C C 13 175.978 0.011 . 1 . . . . . 129 ASP C . 27745 1 586 . 1 . 1 129 129 ASP CA C 13 52.120 0.000 . 1 . . . . . 129 ASP CA . 27745 1 587 . 1 . 1 129 129 ASP CB C 13 40.422 0.000 . 1 . . . . . 129 ASP CB . 27745 1 588 . 1 . 1 129 129 ASP N N 15 117.755 0.009 . 1 . . . . . 129 ASP N . 27745 1 589 . 1 . 1 130 130 ILE H H 1 8.367 0.003 . 1 . . . . . 130 ILE H . 27745 1 590 . 1 . 1 130 130 ILE C C 13 177.889 0.001 . 1 . . . . . 130 ILE C . 27745 1 591 . 1 . 1 130 130 ILE CA C 13 63.408 0.000 . 1 . . . . . 130 ILE CA . 27745 1 592 . 1 . 1 130 130 ILE CB C 13 38.534 0.000 . 1 . . . . . 130 ILE CB . 27745 1 593 . 1 . 1 130 130 ILE N N 15 127.927 0.009 . 1 . . . . . 130 ILE N . 27745 1 594 . 1 . 1 131 131 ASP H H 1 8.330 0.003 . 1 . . . . . 131 ASP H . 27745 1 595 . 1 . 1 131 131 ASP C C 13 178.263 0.023 . 1 . . . . . 131 ASP C . 27745 1 596 . 1 . 1 131 131 ASP CA C 13 53.900 0.053 . 1 . . . . . 131 ASP CA . 27745 1 597 . 1 . 1 131 131 ASP CB C 13 39.966 0.048 . 1 . . . . . 131 ASP CB . 27745 1 598 . 1 . 1 131 131 ASP N N 15 116.657 0.021 . 1 . . . . . 131 ASP N . 27745 1 599 . 1 . 1 132 132 GLY H H 1 7.596 0.003 . 1 . . . . . 132 GLY H . 27745 1 600 . 1 . 1 132 132 GLY C C 13 175.224 0.073 . 1 . . . . . 132 GLY C . 27745 1 601 . 1 . 1 132 132 GLY CA C 13 47.502 0.000 . 1 . . . . . 132 GLY CA . 27745 1 602 . 1 . 1 132 132 GLY N N 15 108.599 0.006 . 1 . . . . . 132 GLY N . 27745 1 603 . 1 . 1 133 133 ASP H H 1 8.340 0.002 . 1 . . . . . 133 ASP H . 27745 1 604 . 1 . 1 133 133 ASP C C 13 177.590 0.024 . 1 . . . . . 133 ASP C . 27745 1 605 . 1 . 1 133 133 ASP CA C 13 53.701 0.000 . 1 . . . . . 133 ASP CA . 27745 1 606 . 1 . 1 133 133 ASP CB C 13 40.262 0.014 . 1 . . . . . 133 ASP CB . 27745 1 607 . 1 . 1 133 133 ASP N N 15 120.925 0.007 . 1 . . . . . 133 ASP N . 27745 1 608 . 1 . 1 134 134 GLY H H 1 10.368 0.003 . 1 . . . . . 134 GLY H . 27745 1 609 . 1 . 1 134 134 GLY C C 13 172.776 0.003 . 1 . . . . . 134 GLY C . 27745 1 610 . 1 . 1 134 134 GLY CA C 13 45.770 0.015 . 1 . . . . . 134 GLY CA . 27745 1 611 . 1 . 1 134 134 GLY N N 15 112.940 0.042 . 1 . . . . . 134 GLY N . 27745 1 612 . 1 . 1 135 135 GLN H H 1 7.973 0.002 . 1 . . . . . 135 GLN H . 27745 1 613 . 1 . 1 135 135 GLN C C 13 174.664 0.000 . 1 . . . . . 135 GLN C . 27745 1 614 . 1 . 1 135 135 GLN CA C 13 53.289 0.013 . 1 . . . . . 135 GLN CA . 27745 1 615 . 1 . 1 135 135 GLN CB C 13 32.519 0.000 . 1 . . . . . 135 GLN CB . 27745 1 616 . 1 . 1 135 135 GLN N N 15 115.385 0.006 . 1 . . . . . 135 GLN N . 27745 1 617 . 1 . 1 136 136 VAL H H 1 9.166 0.004 . 1 . . . . . 136 VAL H . 27745 1 618 . 1 . 1 136 136 VAL C C 13 175.815 0.026 . 1 . . . . . 136 VAL C . 27745 1 619 . 1 . 1 136 136 VAL CA C 13 61.707 0.000 . 1 . . . . . 136 VAL CA . 27745 1 620 . 1 . 1 136 136 VAL CB C 13 33.893 0.000 . 1 . . . . . 136 VAL CB . 27745 1 621 . 1 . 1 136 136 VAL N N 15 125.507 0.016 . 1 . . . . . 136 VAL N . 27745 1 622 . 1 . 1 137 137 ASN H H 1 9.490 0.005 . 1 . . . . . 137 ASN H . 27745 1 623 . 1 . 1 137 137 ASN C C 13 174.943 0.040 . 1 . . . . . 137 ASN C . 27745 1 624 . 1 . 1 137 137 ASN CA C 13 51.175 0.000 . 1 . . . . . 137 ASN CA . 27745 1 625 . 1 . 1 137 137 ASN CB C 13 38.324 0.026 . 1 . . . . . 137 ASN CB . 27745 1 626 . 1 . 1 137 137 ASN N N 15 129.138 0.060 . 1 . . . . . 137 ASN N . 27745 1 627 . 1 . 1 138 138 TYR H H 1 8.475 0.003 . 1 . . . . . 138 TYR H . 27745 1 628 . 1 . 1 138 138 TYR C C 13 176.098 0.016 . 1 . . . . . 138 TYR C . 27745 1 629 . 1 . 1 138 138 TYR CA C 13 62.735 0.000 . 1 . . . . . 138 TYR CA . 27745 1 630 . 1 . 1 138 138 TYR CB C 13 37.728 0.096 . 1 . . . . . 138 TYR CB . 27745 1 631 . 1 . 1 138 138 TYR N N 15 118.618 0.029 . 1 . . . . . 138 TYR N . 27745 1 632 . 1 . 1 139 139 GLU H H 1 8.121 0.003 . 1 . . . . . 139 GLU H . 27745 1 633 . 1 . 1 139 139 GLU C C 13 180.599 0.010 . 1 . . . . . 139 GLU C . 27745 1 634 . 1 . 1 139 139 GLU CA C 13 60.464 0.000 . 1 . . . . . 139 GLU CA . 27745 1 635 . 1 . 1 139 139 GLU CB C 13 28.914 0.000 . 1 . . . . . 139 GLU CB . 27745 1 636 . 1 . 1 139 139 GLU N N 15 118.485 0.006 . 1 . . . . . 139 GLU N . 27745 1 637 . 1 . 1 140 140 GLU H H 1 8.762 0.003 . 1 . . . . . 140 GLU H . 27745 1 638 . 1 . 1 140 140 GLU C C 13 179.549 0.007 . 1 . . . . . 140 GLU C . 27745 1 639 . 1 . 1 140 140 GLU CA C 13 58.482 0.015 . 1 . . . . . 140 GLU CA . 27745 1 640 . 1 . 1 140 140 GLU CB C 13 29.902 0.000 . 1 . . . . . 140 GLU CB . 27745 1 641 . 1 . 1 140 140 GLU N N 15 119.821 0.007 . 1 . . . . . 140 GLU N . 27745 1 642 . 1 . 1 141 141 PHE H H 1 8.925 0.001 . 1 . . . . . 141 PHE H . 27745 1 643 . 1 . 1 141 141 PHE C C 13 176.703 0.026 . 1 . . . . . 141 PHE C . 27745 1 644 . 1 . 1 141 141 PHE CA C 13 58.520 0.000 . 1 . . . . . 141 PHE CA . 27745 1 645 . 1 . 1 141 141 PHE CB C 13 39.802 0.000 . 1 . . . . . 141 PHE CB . 27745 1 646 . 1 . 1 141 141 PHE N N 15 124.857 0.050 . 1 . . . . . 141 PHE N . 27745 1 647 . 1 . 1 142 142 VAL H H 1 8.634 0.002 . 1 . . . . . 142 VAL H . 27745 1 648 . 1 . 1 142 142 VAL C C 13 179.455 0.012 . 1 . . . . . 142 VAL C . 27745 1 649 . 1 . 1 142 142 VAL CA C 13 67.042 0.046 . 1 . . . . . 142 VAL CA . 27745 1 650 . 1 . 1 142 142 VAL CB C 13 31.547 0.038 . 1 . . . . . 142 VAL CB . 27745 1 651 . 1 . 1 142 142 VAL N N 15 119.634 0.012 . 1 . . . . . 142 VAL N . 27745 1 652 . 1 . 1 143 143 GLN H H 1 7.351 0.002 . 1 . . . . . 143 GLN H . 27745 1 653 . 1 . 1 143 143 GLN C C 13 177.817 0.002 . 1 . . . . . 143 GLN C . 27745 1 654 . 1 . 1 143 143 GLN CA C 13 58.928 0.000 . 1 . . . . . 143 GLN CA . 27745 1 655 . 1 . 1 143 143 GLN CB C 13 28.106 0.098 . 1 . . . . . 143 GLN CB . 27745 1 656 . 1 . 1 143 143 GLN N N 15 118.025 0.009 . 1 . . . . . 143 GLN N . 27745 1 657 . 1 . 1 144 144 MET H H 1 7.717 0.005 . 1 . . . . . 144 MET H . 27745 1 658 . 1 . 1 144 144 MET C C 13 177.435 0.036 . 1 . . . . . 144 MET C . 27745 1 659 . 1 . 1 144 144 MET CA C 13 58.587 0.062 . 1 . . . . . 144 MET CA . 27745 1 660 . 1 . 1 144 144 MET CB C 13 33.267 0.000 . 1 . . . . . 144 MET CB . 27745 1 661 . 1 . 1 144 144 MET N N 15 119.449 0.003 . 1 . . . . . 144 MET N . 27745 1 662 . 1 . 1 145 145 MET H H 1 7.839 0.003 . 1 . . . . . 145 MET H . 27745 1 663 . 1 . 1 145 145 MET C C 13 176.903 0.014 . 1 . . . . . 145 MET C . 27745 1 664 . 1 . 1 145 145 MET CA C 13 55.471 0.028 . 1 . . . . . 145 MET CA . 27745 1 665 . 1 . 1 145 145 MET CB C 13 31.867 0.000 . 1 . . . . . 145 MET CB . 27745 1 666 . 1 . 1 145 145 MET N N 15 114.031 0.004 . 1 . . . . . 145 MET N . 27745 1 667 . 1 . 1 146 146 THR H H 1 7.430 0.005 . 1 . . . . . 146 THR H . 27745 1 668 . 1 . 1 146 146 THR C C 13 174.180 0.009 . 1 . . . . . 146 THR C . 27745 1 669 . 1 . 1 146 146 THR CA C 13 61.781 0.000 . 1 . . . . . 146 THR CA . 27745 1 670 . 1 . 1 146 146 THR CB C 13 70.355 0.192 . 1 . . . . . 146 THR CB . 27745 1 671 . 1 . 1 146 146 THR N N 15 109.420 0.010 . 1 . . . . . 146 THR N . 27745 1 672 . 1 . 1 147 147 ALA H H 1 7.582 0.004 . 1 . . . . . 147 ALA H . 27745 1 673 . 1 . 1 147 147 ALA C C 13 176.419 0.014 . 1 . . . . . 147 ALA C . 27745 1 674 . 1 . 1 147 147 ALA CA C 13 53.122 0.000 . 1 . . . . . 147 ALA CA . 27745 1 675 . 1 . 1 147 147 ALA CB C 13 18.913 0.000 . 1 . . . . . 147 ALA CB . 27745 1 676 . 1 . 1 147 147 ALA N N 15 127.674 0.009 . 1 . . . . . 147 ALA N . 27745 1 677 . 1 . 1 148 148 LYS H H 1 7.880 0.002 . 1 . . . . . 148 LYS H . 27745 1 678 . 1 . 1 148 148 LYS C C 13 181.208 0.000 . 1 . . . . . 148 LYS C . 27745 1 679 . 1 . 1 148 148 LYS CA C 13 57.379 0.000 . 1 . . . . . 148 LYS CA . 27745 1 680 . 1 . 1 148 148 LYS CB C 13 34.109 0.000 . 1 . . . . . 148 LYS CB . 27745 1 681 . 1 . 1 148 148 LYS N N 15 125.896 0.015 . 1 . . . . . 148 LYS N . 27745 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27745 _Assigned_chem_shift_list.ID 2 _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' . . . 27745 2 2 '3D HNCO' . . . 27745 2 3 '3D HNCACB' . . . 27745 2 4 '3D CBCA(CO)NH' . . . 27745 2 5 '3D HN(CA)CO' . . . 27745 2 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 3 $Analysis . . 27745 2 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 . 2 . 2 2 2 PRO C C 13 177.476 0.000 . 1 . . . . . -3 PRO C . 27745 2 2 . 2 . 2 2 2 PRO CA C 13 63.537 0.021 . 1 . . . . . -3 PRO CA . 27745 2 3 . 2 . 2 2 2 PRO CB C 13 32.191 0.000 . 1 . . . . . -3 PRO CB . 27745 2 4 . 2 . 2 3 3 GLY C C 13 174.229 0.023 . 1 . . . . . -2 GLY C . 27745 2 5 . 2 . 2 3 3 GLY CA C 13 45.318 0.000 . 1 . . . . . -2 GLY CA . 27745 2 6 . 2 . 2 3 3 GLY H H 1 8.657 0.004 . 1 . . . . . -2 GLY H . 27745 2 7 . 2 . 2 3 3 GLY N N 15 109.930 0.027 . 1 . . . . . -2 GLY N . 27745 2 8 . 2 . 2 4 4 SER C C 13 174.529 0.034 . 1 . . . . . -1 SER C . 27745 2 9 . 2 . 2 4 4 SER CA C 13 58.476 0.000 . 1 . . . . . -1 SER CA . 27745 2 10 . 2 . 2 4 4 SER CB C 13 63.841 0.000 . 1 . . . . . -1 SER CB . 27745 2 11 . 2 . 2 4 4 SER H H 1 8.157 0.003 . 1 . . . . . -1 SER H . 27745 2 12 . 2 . 2 4 4 SER N N 15 115.791 0.015 . 1 . . . . . -1 SER N . 27745 2 13 . 2 . 2 5 5 LYS C C 13 176.539 0.018 . 1 . . . . . 1901 LYS C . 27745 2 14 . 2 . 2 5 5 LYS CA C 13 56.414 0.000 . 1 . . . . . 1901 LYS CA . 27745 2 15 . 2 . 2 5 5 LYS CB C 13 33.032 0.000 . 1 . . . . . 1901 LYS CB . 27745 2 16 . 2 . 2 5 5 LYS H H 1 8.412 0.003 . 1 . . . . . 1901 LYS H . 27745 2 17 . 2 . 2 5 5 LYS N N 15 123.470 0.008 . 1 . . . . . 1901 LYS N . 27745 2 18 . 2 . 2 6 6 ARG C C 13 176.372 0.000 . 1 . . . . . 1902 ARG C . 27745 2 19 . 2 . 2 6 6 ARG CA C 13 56.371 0.000 . 1 . . . . . 1902 ARG CA . 27745 2 20 . 2 . 2 6 6 ARG CB C 13 31.008 0.000 . 1 . . . . . 1902 ARG CB . 27745 2 21 . 2 . 2 6 6 ARG H H 1 8.360 0.002 . 1 . . . . . 1902 ARG H . 27745 2 22 . 2 . 2 6 6 ARG N N 15 122.665 0.005 . 1 . . . . . 1902 ARG N . 27745 2 23 . 2 . 2 7 7 LYS C C 13 176.841 0.030 . 1 . . . . . 1903 LYS C . 27745 2 24 . 2 . 2 7 7 LYS CA C 13 56.157 0.000 . 1 . . . . . 1903 LYS CA . 27745 2 25 . 2 . 2 7 7 LYS CB C 13 32.988 0.000 . 1 . . . . . 1903 LYS CB . 27745 2 26 . 2 . 2 7 7 LYS H H 1 8.512 0.003 . 1 . . . . . 1903 LYS H . 27745 2 27 . 2 . 2 7 7 LYS N N 15 123.375 0.011 . 1 . . . . . 1903 LYS N . 27745 2 28 . 2 . 2 8 8 GLN C C 13 176.074 0.006 . 1 . . . . . 1904 GLN C . 27745 2 29 . 2 . 2 8 8 GLN CA C 13 57.064 0.000 . 1 . . . . . 1904 GLN CA . 27745 2 30 . 2 . 2 8 8 GLN CB C 13 30.083 0.000 . 1 . . . . . 1904 GLN CB . 27745 2 31 . 2 . 2 8 8 GLN H H 1 8.522 0.002 . 1 . . . . . 1904 GLN H . 27745 2 32 . 2 . 2 8 8 GLN N N 15 121.676 0.010 . 1 . . . . . 1904 GLN N . 27745 2 33 . 2 . 2 9 9 GLU C C 13 176.530 0.002 . 1 . . . . . 1905 GLU C . 27745 2 34 . 2 . 2 9 9 GLU CA C 13 56.736 0.000 . 1 . . . . . 1905 GLU CA . 27745 2 35 . 2 . 2 9 9 GLU CB C 13 29.246 0.000 . 1 . . . . . 1905 GLU CB . 27745 2 36 . 2 . 2 9 9 GLU H H 1 8.589 0.002 . 1 . . . . . 1905 GLU H . 27745 2 37 . 2 . 2 9 9 GLU N N 15 120.694 0.016 . 1 . . . . . 1905 GLU N . 27745 2 38 . 2 . 2 10 10 GLU C C 13 176.179 0.003 . 1 . . . . . 1906 GLU C . 27745 2 39 . 2 . 2 10 10 GLU CA C 13 56.290 0.000 . 1 . . . . . 1906 GLU CA . 27745 2 40 . 2 . 2 10 10 GLU CB C 13 30.844 0.000 . 1 . . . . . 1906 GLU CB . 27745 2 41 . 2 . 2 10 10 GLU H H 1 8.155 0.003 . 1 . . . . . 1906 GLU H . 27745 2 42 . 2 . 2 10 10 GLU N N 15 120.895 0.062 . 1 . . . . . 1906 GLU N . 27745 2 43 . 2 . 2 11 11 VAL C C 13 177.232 0.000 . 1 . . . . . 1907 VAL C . 27745 2 44 . 2 . 2 11 11 VAL CA C 13 62.626 0.000 . 1 . . . . . 1907 VAL CA . 27745 2 45 . 2 . 2 11 11 VAL CB C 13 32.566 0.000 . 1 . . . . . 1907 VAL CB . 27745 2 46 . 2 . 2 11 11 VAL H H 1 8.080 0.006 . 1 . . . . . 1907 VAL H . 27745 2 47 . 2 . 2 11 11 VAL N N 15 119.301 0.043 . 1 . . . . . 1907 VAL N . 27745 2 48 . 2 . 2 24 24 LEU C C 13 180.132 0.000 . 1 . . . . . 1920 LEU C . 27745 2 49 . 2 . 2 24 24 LEU CA C 13 55.036 0.000 . 1 . . . . . 1920 LEU CA . 27745 2 50 . 2 . 2 25 25 LEU C C 13 178.934 0.014 . 1 . . . . . 1921 LEU C . 27745 2 51 . 2 . 2 25 25 LEU CA C 13 57.264 0.000 . 1 . . . . . 1921 LEU CA . 27745 2 52 . 2 . 2 25 25 LEU CB C 13 42.031 0.000 . 1 . . . . . 1921 LEU CB . 27745 2 53 . 2 . 2 25 25 LEU H H 1 7.665 0.004 . 1 . . . . . 1921 LEU H . 27745 2 54 . 2 . 2 25 25 LEU N N 15 118.825 0.023 . 1 . . . . . 1921 LEU N . 27745 2 55 . 2 . 2 26 26 LYS C C 13 177.840 0.000 . 1 . . . . . 1922 LYS C . 27745 2 56 . 2 . 2 26 26 LYS CA C 13 57.899 0.000 . 1 . . . . . 1922 LYS CA . 27745 2 57 . 2 . 2 26 26 LYS H H 1 7.630 0.005 . 1 . . . . . 1922 LYS H . 27745 2 58 . 2 . 2 26 26 LYS N N 15 118.228 0.005 . 1 . . . . . 1922 LYS N . 27745 2 59 . 2 . 2 27 27 GLN C C 13 176.577 0.000 . 1 . . . . . 1923 GLN C . 27745 2 60 . 2 . 2 27 27 GLN CA C 13 58.880 0.000 . 1 . . . . . 1923 GLN CA . 27745 2 61 . 2 . 2 27 27 GLN CB C 13 28.091 0.000 . 1 . . . . . 1923 GLN CB . 27745 2 62 . 2 . 2 27 27 GLN H H 1 7.573 0.000 . 1 . . . . . 1923 GLN H . 27745 2 63 . 2 . 2 27 27 GLN N N 15 117.745 0.000 . 1 . . . . . 1923 GLN N . 27745 2 64 . 2 . 2 28 28 LYS C C 13 176.619 0.000 . 1 . . . . . 1924 LYS C . 27745 2 65 . 2 . 2 28 28 LYS CA C 13 56.758 0.012 . 1 . . . . . 1924 LYS CA . 27745 2 66 . 2 . 2 28 28 LYS CB C 13 32.942 0.000 . 1 . . . . . 1924 LYS CB . 27745 2 67 . 2 . 2 28 28 LYS H H 1 7.720 0.007 . 1 . . . . . 1924 LYS H . 27745 2 68 . 2 . 2 28 28 LYS N N 15 119.810 0.024 . 1 . . . . . 1924 LYS N . 27745 2 69 . 2 . 2 29 29 VAL C C 13 175.729 0.000 . 1 . . . . . 1925 VAL C . 27745 2 70 . 2 . 2 29 29 VAL CA C 13 62.669 0.000 . 1 . . . . . 1925 VAL CA . 27745 2 71 . 2 . 2 29 29 VAL CB C 13 32.632 0.000 . 1 . . . . . 1925 VAL CB . 27745 2 72 . 2 . 2 29 29 VAL H H 1 7.771 0.006 . 1 . . . . . 1925 VAL H . 27745 2 73 . 2 . 2 29 29 VAL N N 15 119.795 0.066 . 1 . . . . . 1925 VAL N . 27745 2 74 . 2 . 2 30 30 LYS C C 13 175.359 0.024 . 1 . . . . . 1926 LYS C . 27745 2 75 . 2 . 2 30 30 LYS CA C 13 56.263 0.000 . 1 . . . . . 1926 LYS CA . 27745 2 76 . 2 . 2 30 30 LYS CB C 13 33.047 0.000 . 1 . . . . . 1926 LYS CB . 27745 2 77 . 2 . 2 30 30 LYS H H 1 8.201 0.001 . 1 . . . . . 1926 LYS H . 27745 2 78 . 2 . 2 30 30 LYS N N 15 125.778 0.060 . 1 . . . . . 1926 LYS N . 27745 2 79 . 2 . 2 31 31 LYS C C 13 175.324 0.000 . 1 . . . . . 1927 LYS C . 27745 2 80 . 2 . 2 31 31 LYS CA C 13 57.918 0.000 . 1 . . . . . 1927 LYS CA . 27745 2 81 . 2 . 2 31 31 LYS CB C 13 33.741 0.000 . 1 . . . . . 1927 LYS CB . 27745 2 82 . 2 . 2 31 31 LYS H H 1 7.979 0.002 . 1 . . . . . 1927 LYS H . 27745 2 83 . 2 . 2 31 31 LYS N N 15 128.718 0.015 . 1 . . . . . 1927 LYS N . 27745 2 stop_ save_