################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50807 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'H3 hexasome' _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 $chem_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' . . . 50807 1 2 '3D HNCACB' . . . 50807 1 3 '3D CBCA(CO)NH' . . . 50807 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 $software_1 . . 50807 1 2 $software_2 . . 50807 1 3 $software_3 . . 50807 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 ARG CA C 13 56.62758 0 . 6 . . . . . 2 R CA . 50807 1 2 . 1 . 1 2 2 ARG CB C 13 30.96073 0 . 6 . . . . . 2 R CB . 50807 1 3 . 1 . 1 3 3 THR H H 1 8.24785 0.00174 . 6 . . . . . 3 T HN . 50807 1 4 . 1 . 1 3 3 THR CA C 13 62.05091 0 . 6 . . . . . 3 T CA . 50807 1 5 . 1 . 1 3 3 THR CB C 13 70.10593 0 . 6 . . . . . 3 T CB . 50807 1 6 . 1 . 1 3 3 THR N N 15 115.82545 0 . 6 . . . . . 3 T N . 50807 1 7 . 1 . 1 4 4 LYS H H 1 8.41939 0.00287 . 6 . . . . . 4 K HN . 50807 1 8 . 1 . 1 4 4 LYS CA C 13 56.73141 0 . 6 . . . . . 4 K CA . 50807 1 9 . 1 . 1 4 4 LYS CB C 13 33.23817 0 . 6 . . . . . 4 K CB . 50807 1 10 . 1 . 1 4 4 LYS N N 15 123.46534 1.35E-06 . 6 . . . . . 4 K N . 50807 1 11 . 1 . 1 5 5 GLN H H 1 8.49771 0.0011 . 1 . . . . . 5 Q HN . 50807 1 12 . 1 . 1 5 5 GLN CA C 13 56.42836 0 . 1 . . . . . 5 Q CA . 50807 1 13 . 1 . 1 5 5 GLN CB C 13 29.54726 0 . 1 . . . . . 5 Q CB . 50807 1 14 . 1 . 1 5 5 GLN N N 15 121.66321 0.03539 . 1 . . . . . 5 Q N . 50807 1 15 . 1 . 1 6 6 THR H H 1 8.03583 0.0026 . 1 . . . . . 6 T HN . 50807 1 16 . 1 . 1 6 6 THR CA C 13 62.14633 0 . 1 . . . . . 6 T CA . 50807 1 17 . 1 . 1 6 6 THR CB C 13 69.8674 0 . 1 . . . . . 6 T CB . 50807 1 18 . 1 . 1 6 6 THR N N 15 114.65409 0.0172 . 1 . . . . . 6 T N . 50807 1 19 . 1 . 1 7 7 ALA H H 1 8.27356 0.00453 . 1 . . . . . 7 A HN . 50807 1 20 . 1 . 1 7 7 ALA CA C 13 52.74743 0 . 1 . . . . . 7 A CA . 50807 1 21 . 1 . 1 7 7 ALA CB C 13 19.39888 0 . 1 . . . . . 7 A CB . 50807 1 22 . 1 . 1 7 7 ALA N N 15 125.97207 1.91E-06 . 1 . . . . . 7 A N . 50807 1 23 . 1 . 1 8 8 ARG H H 1 8.22145 7.49E-04 . 1 . . . . . 8 R HN . 50807 1 24 . 1 . 1 8 8 ARG CA C 13 56.37947 0 . 1 . . . . . 8 R CA . 50807 1 25 . 1 . 1 8 8 ARG CB C 13 30.90763 0 . 1 . . . . . 8 R CB . 50807 1 26 . 1 . 1 8 8 ARG N N 15 119.85519 1.91E-06 . 1 . . . . . 8 R N . 50807 1 27 . 1 . 1 9 9 LYS H H 1 8.31678 0 . 9 . . . . . 9 K HN . 50807 1 28 . 1 . 1 9 9 LYS N N 15 122.14435 0 . 9 . . . . . 9 K N . 50807 1 29 . 1 . 1 10 10 SER H H 1 8.3556 6.62E-04 . 6 . . . . . 10 S HN . 50807 1 30 . 1 . 1 10 10 SER CA C 13 58.39859 0 . 6 . . . . . 10 S CA . 50807 1 31 . 1 . 1 10 10 SER CB C 13 63.96363 0 . 6 . . . . . 10 S CB . 50807 1 32 . 1 . 1 10 10 SER N N 15 116.85929 0.00855 . 6 . . . . . 10 S N . 50807 1 33 . 1 . 1 11 11 THR H H 1 8.16871 0.00283 . 6 . . . . . 11 T HN . 50807 1 34 . 1 . 1 11 11 THR CA C 13 62.16403 0 . 6 . . . . . 11 T CA . 50807 1 35 . 1 . 1 11 11 THR CB C 13 69.86249 0 . 6 . . . . . 11 T CB . 50807 1 36 . 1 . 1 11 11 THR N N 15 114.86717 1.35E-06 . 6 . . . . . 11 T N . 50807 1 37 . 1 . 1 12 12 GLY H H 1 8.39233 0.00169 . 9 . . . . . 12 G HN . 50807 1 38 . 1 . 1 12 12 GLY CA C 13 45.62011 0 . 9 . . . . . 12 G CA . 50807 1 39 . 1 . 1 12 12 GLY N N 15 110.81616 0.00604 . 9 . . . . . 12 G N . 50807 1 40 . 1 . 1 13 13 GLY H H 1 8.24637 0.00105 . 9 . . . . . 13 G HN . 50807 1 41 . 1 . 1 13 13 GLY CA C 13 45.41553 0 . 9 . . . . . 13 G CA . 50807 1 42 . 1 . 1 13 13 GLY N N 15 108.69284 0.00421 . 9 . . . . . 13 G N . 50807 1 43 . 1 . 1 14 14 LYS H H 1 8.09835 0.00217 . 6 . . . . . 14 K HN . 50807 1 44 . 1 . 1 14 14 LYS CA C 13 56.04748 0 . 6 . . . . . 14 K CA . 50807 1 45 . 1 . 1 14 14 LYS CB C 13 33.36501 0 . 6 . . . . . 14 K CB . 50807 1 46 . 1 . 1 14 14 LYS N N 15 120.44776 0.06844 . 6 . . . . . 14 K N . 50807 1 47 . 1 . 1 16 16 PRO CA C 13 63.21997 0.00107 . 6 . . . . . 16 P CA . 50807 1 48 . 1 . 1 16 16 PRO CB C 13 32.13706 0.07355 . 6 . . . . . 16 P CB . 50807 1 49 . 1 . 1 17 17 ARG H H 1 8.36993 0.00401 . 6 . . . . . 17 R HN . 50807 1 50 . 1 . 1 17 17 ARG CA C 13 56.47227 0 . 6 . . . . . 17 R CA . 50807 1 51 . 1 . 1 17 17 ARG CB C 13 30.96248 0 . 6 . . . . . 17 R CB . 50807 1 52 . 1 . 1 17 17 ARG N N 15 120.98912 2.70E-06 . 6 . . . . . 17 R N . 50807 1 53 . 1 . 1 18 18 LYS H H 1 8.33853 0 . 9 . . . . . 18 K HN . 50807 1 54 . 1 . 1 18 18 LYS N N 15 121.87538 0 . 9 . . . . . 18 K N . 50807 1 55 . 1 . 1 19 19 GLN H H 1 8.34306 0.0027 . 6 . . . . . 19 Q HN . 50807 1 56 . 1 . 1 19 19 GLN CA C 13 56.18808 0 . 6 . . . . . 19 Q CA . 50807 1 57 . 1 . 1 19 19 GLN CB C 13 29.58461 0 . 6 . . . . . 19 Q CB . 50807 1 58 . 1 . 1 19 19 GLN N N 15 121.02768 0 . 6 . . . . . 19 Q N . 50807 1 59 . 1 . 1 20 20 LEU H H 1 8.20317 0 . 9 . . . . . 20 L HN . 50807 1 60 . 1 . 1 20 20 LEU N N 15 122.94516 0 . 9 . . . . . 20 L N . 50807 1 61 . 1 . 1 21 21 ALA H H 1 8.29062 0.0029 . 6 . . . . . 21 A HN . 50807 1 62 . 1 . 1 21 21 ALA CA C 13 52.93062 0 . 6 . . . . . 21 A CA . 50807 1 63 . 1 . 1 21 21 ALA CB C 13 19.28829 0 . 6 . . . . . 21 A CB . 50807 1 64 . 1 . 1 21 21 ALA N N 15 124.06904 0.02073 . 6 . . . . . 21 A N . 50807 1 65 . 1 . 1 22 22 THR H H 1 7.98127 1.98E-04 . 6 . . . . . 22 T HN . 50807 1 66 . 1 . 1 22 22 THR N N 15 112.71242 0 . 6 . . . . . 22 T N . 50807 1 67 . 1 . 1 23 23 LYS H H 1 8.18776 0.00102 . 1 . . . . . 23 K HN . 50807 1 68 . 1 . 1 23 23 LYS CA C 13 57.10415 0 . 1 . . . . . 23 K CA . 50807 1 69 . 1 . 1 23 23 LYS CB C 13 32.94826 0 . 1 . . . . . 23 K CB . 50807 1 70 . 1 . 1 23 23 LYS N N 15 122.94864 0 . 1 . . . . . 23 K N . 50807 1 71 . 1 . 1 24 24 ALA H H 1 8.17443 0.00121 . 1 . . . . . 24 A HN . 50807 1 72 . 1 . 1 24 24 ALA CA C 13 53.11894 0 . 1 . . . . . 24 A CA . 50807 1 73 . 1 . 1 24 24 ALA CB C 13 19.22148 0 . 1 . . . . . 24 A CB . 50807 1 74 . 1 . 1 24 24 ALA N N 15 124.07739 0.00351 . 1 . . . . . 24 A N . 50807 1 75 . 1 . 1 25 25 ALA H H 1 8.08107 0.00102 . 1 . . . . . 25 A HN . 50807 1 76 . 1 . 1 25 25 ALA CA C 13 52.92549 0 . 1 . . . . . 25 A CA . 50807 1 77 . 1 . 1 25 25 ALA CB C 13 19.19347 0 . 1 . . . . . 25 A CB . 50807 1 78 . 1 . 1 25 25 ALA N N 15 122.57366 0.0195 . 1 . . . . . 25 A N . 50807 1 79 . 1 . 1 26 26 ARG H H 1 8.11128 0.00151 . 1 . . . . . 26 R HN . 50807 1 80 . 1 . 1 26 26 ARG CA C 13 56.58213 0 . 1 . . . . . 26 R CA . 50807 1 81 . 1 . 1 26 26 ARG CB C 13 30.83504 0 . 1 . . . . . 26 R CB . 50807 1 82 . 1 . 1 26 26 ARG N N 15 119.47167 0.00734 . 1 . . . . . 26 R N . 50807 1 83 . 1 . 1 27 27 LYS H H 1 8.22246 7.67E-04 . 9 . . . . . 27 K HN . 50807 1 84 . 1 . 1 27 27 LYS CA C 13 56.71624 0 . 9 . . . . . 27 K CA . 50807 1 85 . 1 . 1 27 27 LYS CB C 13 33.08316 0 . 9 . . . . . 27 K CB . 50807 1 86 . 1 . 1 27 27 LYS N N 15 121.59625 0.0036 . 9 . . . . . 27 K N . 50807 1 87 . 1 . 1 28 28 SER H H 1 8.13318 0.00136 . 6 . . . . . 28 S HN . 50807 1 88 . 1 . 1 28 28 SER CA C 13 58.36495 0 . 6 . . . . . 28 S CA . 50807 1 89 . 1 . 1 28 28 SER CB C 13 64.11943 0 . 6 . . . . . 28 S CB . 50807 1 90 . 1 . 1 28 28 SER N N 15 116.20632 1.35E-06 . 6 . . . . . 28 S N . 50807 1 91 . 1 . 1 29 29 ALA H H 1 8.1625 4.54E-04 . 6 . . . . . 29 A HN . 50807 1 92 . 1 . 1 29 29 ALA CA C 13 50.73431 0 . 6 . . . . . 29 A CA . 50807 1 93 . 1 . 1 29 29 ALA CB C 13 18.49886 0 . 6 . . . . . 29 A CB . 50807 1 94 . 1 . 1 29 29 ALA N N 15 126.67904 1.91E-06 . 6 . . . . . 29 A N . 50807 1 95 . 1 . 1 30 30 PRO CA C 13 63.21333 0.00917 . 6 . . . . . 30 P CA . 50807 1 96 . 1 . 1 30 30 PRO CB C 13 32.1302 0.02471 . 6 . . . . . 30 P CB . 50807 1 97 . 1 . 1 31 31 ALA H H 1 8.39338 0.00123 . 6 . . . . . 31 A HN . 50807 1 98 . 1 . 1 31 31 ALA CA C 13 52.72527 0 . 6 . . . . . 31 A CA . 50807 1 99 . 1 . 1 31 31 ALA CB C 13 19.20639 0 . 6 . . . . . 31 A CB . 50807 1 100 . 1 . 1 31 31 ALA N N 15 124.15497 0.01248 . 6 . . . . . 31 A N . 50807 1 101 . 1 . 1 32 32 THR H H 1 7.97438 0.00119 . 6 . . . . . 32 T HN . 50807 1 102 . 1 . 1 32 32 THR CA C 13 62.01999 0 . 6 . . . . . 32 T CA . 50807 1 103 . 1 . 1 32 32 THR CB C 13 69.94778 0 . 6 . . . . . 32 T CB . 50807 1 104 . 1 . 1 32 32 THR N N 15 111.74165 0.00584 . 6 . . . . . 32 T N . 50807 1 105 . 1 . 1 33 33 GLY H H 1 8.31213 2.70E-04 . 9 . . . . . 33 G HN . 50807 1 106 . 1 . 1 33 33 GLY N N 15 110.77662 0.00671 . 9 . . . . . 33 G N . 50807 1 107 . 1 . 1 34 34 GLY H H 1 8.18668 0.00113 . 9 . . . . . 34 G HN . 50807 1 108 . 1 . 1 34 34 GLY CA C 13 45.37263 0 . 9 . . . . . 34 G CA . 50807 1 109 . 1 . 1 34 34 GLY N N 15 108.67031 0.00621 . 9 . . . . . 34 G N . 50807 1 110 . 1 . 1 35 35 VAL H H 1 7.92979 3.36E-04 . 6 . . . . . 35 V HN . 50807 1 111 . 1 . 1 35 35 VAL CA C 13 62.38133 0 . 6 . . . . . 35 V CA . 50807 1 112 . 1 . 1 35 35 VAL CB C 13 32.90047 0 . 6 . . . . . 35 V CB . 50807 1 113 . 1 . 1 35 35 VAL N N 15 119.08061 0.00442 . 6 . . . . . 35 V N . 50807 1 114 . 1 . 1 36 36 LYS H H 1 8.24973 0.0065 . 6 . . . . . 36 K HN . 50807 1 115 . 1 . 1 36 36 LYS CA C 13 56.24768 0 . 6 . . . . . 36 K CA . 50807 1 116 . 1 . 1 36 36 LYS CB C 13 33.19641 0 . 6 . . . . . 36 K CB . 50807 1 117 . 1 . 1 36 36 LYS N N 15 125.252 1.91E-06 . 6 . . . . . 36 K N . 50807 1 118 . 2 . 1 2 2 ARG CA C 13 56.50641 0 . 6 . . . . . 2 R CA . 50807 1 119 . 2 . 1 2 2 ARG CB C 13 30.96034 0 . 6 . . . . . 2 R CB . 50807 1 120 . 2 . 1 3 3 THR H H 1 8.2705 0.00104 . 6 . . . . . 3 T HN . 50807 1 121 . 2 . 1 3 3 THR CA C 13 62.09862 0 . 6 . . . . . 3 T CA . 50807 1 122 . 2 . 1 3 3 THR CB C 13 70.12498 0 . 6 . . . . . 3 T CB . 50807 1 123 . 2 . 1 3 3 THR N N 15 116.12486 0.00988 . 6 . . . . . 3 T N . 50807 1 124 . 2 . 1 4 4 LYS H H 1 8.41885 0.00169 . 6 . . . . . 4 K HN . 50807 1 125 . 2 . 1 4 4 LYS CA C 13 56.64833 0 . 6 . . . . . 4 K CA . 50807 1 126 . 2 . 1 4 4 LYS CB C 13 33.19428 0 . 6 . . . . . 4 K CB . 50807 1 127 . 2 . 1 4 4 LYS N N 15 123.78218 0.02078 . 6 . . . . . 4 K N . 50807 1 128 . 2 . 1 5 5 GLN H H 1 8.52694 7.60E-04 . 1 . . . . . 5 Q HN . 50807 1 129 . 2 . 1 5 5 GLN CA C 13 56.27571 0 . 1 . . . . . 5 Q CA . 50807 1 130 . 2 . 1 5 5 GLN CB C 13 29.53368 0 . 1 . . . . . 5 Q CB . 50807 1 131 . 2 . 1 5 5 GLN N N 15 121.96169 0.00662 . 1 . . . . . 5 Q N . 50807 1 132 . 2 . 1 6 6 THR H H 1 8.09605 0.00132 . 1 . . . . . 6 T HN . 50807 1 133 . 2 . 1 6 6 THR CA C 13 62.1073 0 . 1 . . . . . 6 T CA . 50807 1 134 . 2 . 1 6 6 THR CB C 13 69.90038 0 . 1 . . . . . 6 T CB . 50807 1 135 . 2 . 1 6 6 THR N N 15 115.17449 0.00629 . 1 . . . . . 6 T N . 50807 1 136 . 2 . 1 7 7 ALA H H 1 8.278 0.00123 . 1 . . . . . 7 A HN . 50807 1 137 . 2 . 1 7 7 ALA CA C 13 52.62518 0 . 1 . . . . . 7 A CA . 50807 1 138 . 2 . 1 7 7 ALA CB C 13 19.44468 0 . 1 . . . . . 7 A CB . 50807 1 139 . 2 . 1 7 7 ALA N N 15 126.28017 0.01281 . 1 . . . . . 7 A N . 50807 1 140 . 2 . 1 8 8 ARG H H 1 8.25047 0.0011 . 1 . . . . . 8 R HN . 50807 1 141 . 2 . 1 8 8 ARG CA C 13 56.30076 0 . 1 . . . . . 8 R CA . 50807 1 142 . 2 . 1 8 8 ARG CB C 13 30.95818 0 . 1 . . . . . 8 R CB . 50807 1 143 . 2 . 1 8 8 ARG N N 15 120.46389 0.01353 . 1 . . . . . 8 R N . 50807 1 144 . 2 . 1 9 9 LYS H H 1 8.38009 0.00169 . 9 . . . . . 9 K HN . 50807 1 145 . 2 . 1 9 9 LYS CA C 13 56.50709 0 . 9 . . . . . 9 K CA . 50807 1 146 . 2 . 1 9 9 LYS CB C 13 33.24295 0 . 9 . . . . . 9 K CB . 50807 1 147 . 2 . 1 9 9 LYS N N 15 122.59776 0.00762 . 9 . . . . . 9 K N . 50807 1 148 . 2 . 1 11 11 THR H H 1 8.18481 0.00249 . 6 . . . . . 11 T HN . 50807 1 149 . 2 . 1 11 11 THR CA C 13 62.1331 0 . 6 . . . . . 11 T CA . 50807 1 150 . 2 . 1 11 11 THR CB C 13 69.8722 0 . 6 . . . . . 11 T CB . 50807 1 151 . 2 . 1 11 11 THR N N 15 115.07401 0.0084 . 6 . . . . . 11 T N . 50807 1 152 . 2 . 1 14 14 LYS H H 1 8.12911 0.00184 . 6 . . . . . 14 K HN . 50807 1 153 . 2 . 1 14 14 LYS CA C 13 56.07421 0 . 6 . . . . . 14 K CA . 50807 1 154 . 2 . 1 14 14 LYS CB C 13 33.36795 0 . 6 . . . . . 14 K CB . 50807 1 155 . 2 . 1 14 14 LYS N N 15 120.69834 0.00172 . 6 . . . . . 14 K N . 50807 1 156 . 2 . 1 15 15 ALA H H 1 8.31481 0.00139 . 6 . . . . . 15 A HN . 50807 1 157 . 2 . 1 15 15 ALA CA C 13 50.6156 0 . 6 . . . . . 15 A CA . 50807 1 158 . 2 . 1 15 15 ALA CB C 13 18.40398 0 . 6 . . . . . 15 A CB . 50807 1 159 . 2 . 1 15 15 ALA N N 15 126.57636 0.01778 . 6 . . . . . 15 A N . 50807 1 160 . 2 . 1 16 16 PRO CA C 13 63.07974 0.015 . 6 . . . . . 16 P CA . 50807 1 161 . 2 . 1 16 16 PRO CB C 13 32.14048 0.02305 . 6 . . . . . 16 P CB . 50807 1 162 . 2 . 1 17 17 ARG H H 1 8.38747 8.36E-04 . 6 . . . . . 17 R HN . 50807 1 163 . 2 . 1 17 17 ARG CA C 13 56.45776 0 . 6 . . . . . 17 R CA . 50807 1 164 . 2 . 1 17 17 ARG CB C 13 30.9477 0 . 6 . . . . . 17 R CB . 50807 1 165 . 2 . 1 17 17 ARG N N 15 121.24994 0.01525 . 6 . . . . . 17 R N . 50807 1 166 . 2 . 1 18 18 LYS H H 1 8.33747 6.53E-04 . 9 . . . . . 18 K HN . 50807 1 167 . 2 . 1 18 18 LYS CA C 13 56.61991 0 . 9 . . . . . 18 K CA . 50807 1 168 . 2 . 1 18 18 LYS CB C 13 33.19563 0 . 9 . . . . . 18 K CB . 50807 1 169 . 2 . 1 18 18 LYS N N 15 122.15637 0.00509 . 9 . . . . . 18 K N . 50807 1 170 . 2 . 1 19 19 GLN H H 1 8.3321 0.00152 . 6 . . . . . 19 Q HN . 50807 1 171 . 2 . 1 19 19 GLN CA C 13 56.12169 0 . 6 . . . . . 19 Q CA . 50807 1 172 . 2 . 1 19 19 GLN CB C 13 29.55204 0 . 6 . . . . . 19 Q CB . 50807 1 173 . 2 . 1 19 19 GLN N N 15 121.32768 0.01278 . 6 . . . . . 19 Q N . 50807 1 174 . 2 . 1 20 20 LEU H H 1 8.21202 0.001 . 6 . . . . . 20 L HN . 50807 1 175 . 2 . 1 20 20 LEU CA C 13 55.43347 0.09507 . 6 . . . . . 20 L CA . 50807 1 176 . 2 . 1 20 20 LEU CB C 13 42.64334 0.02021 . 6 . . . . . 20 L CB . 50807 1 177 . 2 . 1 20 20 LEU N N 15 123.4778 0.00407 . 6 . . . . . 20 L N . 50807 1 178 . 2 . 1 21 21 ALA H H 1 8.28382 0.00108 . 6 . . . . . 21 A HN . 50807 1 179 . 2 . 1 21 21 ALA CA C 13 52.76389 0 . 6 . . . . . 21 A CA . 50807 1 180 . 2 . 1 21 21 ALA CB C 13 19.30747 0 . 6 . . . . . 21 A CB . 50807 1 181 . 2 . 1 21 21 ALA N N 15 124.52168 0.01145 . 6 . . . . . 21 A N . 50807 1 182 . 2 . 1 22 22 THR H H 1 7.94903 3.99E-04 . 6 . . . . . 22 T HN . 50807 1 183 . 2 . 1 22 22 THR CA C 13 62.18442 0 . 6 . . . . . 22 T CA . 50807 1 184 . 2 . 1 22 22 THR CB C 13 69.90551 0 . 6 . . . . . 22 T CB . 50807 1 185 . 2 . 1 22 22 THR N N 15 112.82732 0.00329 . 6 . . . . . 22 T N . 50807 1 186 . 2 . 1 23 23 LYS H H 1 8.24111 0.00124 . 1 . . . . . 23 K HN . 50807 1 187 . 2 . 1 23 23 LYS CA C 13 56.8851 0 . 1 . . . . . 23 K CA . 50807 1 188 . 2 . 1 23 23 LYS CB C 13 33.03135 0 . 1 . . . . . 23 K CB . 50807 1 189 . 2 . 1 23 23 LYS N N 15 123.21007 0.00497 . 1 . . . . . 23 K N . 50807 1 190 . 2 . 1 24 24 ALA H H 1 8.1972 0.0016 . 1 . . . . . 24 A HN . 50807 1 191 . 2 . 1 24 24 ALA CA C 13 52.73703 0 . 1 . . . . . 24 A CA . 50807 1 192 . 2 . 1 24 24 ALA CB C 13 19.30143 0 . 1 . . . . . 24 A CB . 50807 1 193 . 2 . 1 24 24 ALA N N 15 124.54506 0.00763 . 1 . . . . . 24 A N . 50807 1 194 . 2 . 1 25 25 ALA H H 1 8.10627 7.54E-04 . 1 . . . . . 25 A HN . 50807 1 195 . 2 . 1 25 25 ALA CA C 13 52.76221 0 . 1 . . . . . 25 A CA . 50807 1 196 . 2 . 1 25 25 ALA CB C 13 19.25925 0 . 1 . . . . . 25 A CB . 50807 1 197 . 2 . 1 25 25 ALA N N 15 122.98955 0.00465 . 1 . . . . . 25 A N . 50807 1 198 . 2 . 1 26 26 ARG H H 1 8.17251 0.00149 . 1 . . . . . 26 R HN . 50807 1 199 . 2 . 1 26 26 ARG CA C 13 56.39987 0 . 1 . . . . . 26 R CA . 50807 1 200 . 2 . 1 26 26 ARG CB C 13 30.90257 0 . 1 . . . . . 26 R CB . 50807 1 201 . 2 . 1 26 26 ARG N N 15 119.87102 0.00848 . 1 . . . . . 26 R N . 50807 1 202 . 2 . 1 27 27 LYS H H 1 8.27019 0.00134 . 9 . . . . . 27 K HN . 50807 1 203 . 2 . 1 27 27 LYS CA C 13 56.59273 0 . 9 . . . . . 27 K CA . 50807 1 204 . 2 . 1 27 27 LYS CB C 13 33.16092 0 . 9 . . . . . 27 K CB . 50807 1 205 . 2 . 1 27 27 LYS N N 15 121.9831 0.01788 . 9 . . . . . 27 K N . 50807 1 206 . 2 . 1 28 28 SER H H 1 8.1656 0.00189 . 6 . . . . . 28 S HN . 50807 1 207 . 2 . 1 28 28 SER CA C 13 58.24522 0 . 6 . . . . . 28 S CA . 50807 1 208 . 2 . 1 28 28 SER CB C 13 64.14352 0 . 6 . . . . . 28 S CB . 50807 1 209 . 2 . 1 28 28 SER N N 15 116.53438 0.01591 . 6 . . . . . 28 S N . 50807 1 210 . 2 . 1 29 29 ALA H H 1 8.19418 0.00122 . 6 . . . . . 29 A HN . 50807 1 211 . 2 . 1 29 29 ALA CA C 13 50.69673 0 . 6 . . . . . 29 A CA . 50807 1 212 . 2 . 1 29 29 ALA CB C 13 18.49404 0 . 6 . . . . . 29 A CB . 50807 1 213 . 2 . 1 29 29 ALA N N 15 126.72831 0.00691 . 6 . . . . . 29 A N . 50807 1 214 . 2 . 1 32 32 THR H H 1 8.01743 0.00163 . 6 . . . . . 32 T HN . 50807 1 215 . 2 . 1 32 32 THR CA C 13 61.90513 0 . 6 . . . . . 32 T CA . 50807 1 216 . 2 . 1 32 32 THR CB C 13 70.00022 0 . 6 . . . . . 32 T CB . 50807 1 217 . 2 . 1 32 32 THR N N 15 112.23361 0.00674 . 6 . . . . . 32 T N . 50807 1 218 . 2 . 1 33 33 GLY H H 1 8.33324 0.00188 . 9 . . . . . 33 G HN . 50807 1 219 . 2 . 1 33 33 GLY CA C 13 45.57866 0 . 9 . . . . . 33 G CA . 50807 1 220 . 2 . 1 33 33 GLY N N 15 110.75619 0.0099 . 9 . . . . . 33 G N . 50807 1 221 . 2 . 1 34 34 GLY H H 1 8.24637 0.00105 . 9 . . . . . 34 G HN . 50807 1 222 . 2 . 1 34 34 GLY CA C 13 45.41553 0 . 9 . . . . . 34 G CA . 50807 1 223 . 2 . 1 34 34 GLY N N 15 108.69284 0.00421 . 9 . . . . . 34 G N . 50807 1 224 . 2 . 1 36 36 LYS H H 1 8.33598 5.48E-04 . 6 . . . . . 36 K HN . 50807 1 225 . 2 . 1 36 36 LYS CA C 13 56.19052 0 . 6 . . . . . 36 K CA . 50807 1 226 . 2 . 1 36 36 LYS CB C 13 33.10408 0 . 6 . . . . . 36 K CB . 50807 1 227 . 2 . 1 36 36 LYS N N 15 125.2832 0.00548 . 6 . . . . . 36 K N . 50807 1 228 . 2 . 1 37 37 LYS H H 1 8.29348 0.0038 . 6 . . . . . 37 K HN . 50807 1 229 . 2 . 1 37 37 LYS CA C 13 54.31779 0 . 6 . . . . . 37 K CA . 50807 1 230 . 2 . 1 37 37 LYS CB C 13 32.75313 0 . 6 . . . . . 37 K CB . 50807 1 231 . 2 . 1 37 37 LYS N N 15 123.77493 0.0141 . 6 . . . . . 37 K N . 50807 1 stop_ save_