################################### # 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 52730 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name apo_10C _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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' . . . 52730 1 2 '3D HN(CO)CA' . . . 52730 1 3 '3D HNCA' . . . 52730 1 4 '3D CBCACONH' . . . 52730 1 5 '3D HNCACB' . . . 52730 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 $software_3 . . 52730 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 62.746 0.000 . . . . . . . 25 P CA . 52730 1 2 . 1 . 1 2 2 PRO CB C 13 32.257 0.000 . . . . . . . 25 P CB . 52730 1 3 . 1 . 1 3 3 GLN H H 1 8.678 0.000 . . . . . . . 26 Q HN . 52730 1 4 . 1 . 1 3 3 GLN CA C 13 53.625 0.000 . . . . . . . 26 Q CA . 52730 1 5 . 1 . 1 3 3 GLN CB C 13 28.798 0.000 . . . . . . . 26 Q CB . 52730 1 6 . 1 . 1 3 3 GLN N N 15 122.570 0.000 . . . . . . . 26 Q N . 52730 1 7 . 1 . 1 4 4 PRO CA C 13 62.885 0.000 . . . . . . . 27 P CA . 52730 1 8 . 1 . 1 4 4 PRO CB C 13 32.173 0.000 . . . . . . . 27 P CB . 52730 1 9 . 1 . 1 5 5 LYS H H 1 8.486 0.000 . . . . . . . 28 K HN . 52730 1 10 . 1 . 1 5 5 LYS CA C 13 56.267 0.015 . . . . . . . 28 K CA . 52730 1 11 . 1 . 1 5 5 LYS CB C 13 32.954 0.099 . . . . . . . 28 K CB . 52730 1 12 . 1 . 1 5 5 LYS N N 15 122.347 0.000 . . . . . . . 28 K N . 52730 1 13 . 1 . 1 6 6 LYS H H 1 8.454 0.000 . . . . . . . 29 K HN . 52730 1 14 . 1 . 1 6 6 LYS CA C 13 56.134 0.007 . . . . . . . 29 K CA . 52730 1 15 . 1 . 1 6 6 LYS CB C 13 33.028 0.004 . . . . . . . 29 K CB . 52730 1 16 . 1 . 1 6 6 LYS N N 15 123.848 0.000 . . . . . . . 29 K N . 52730 1 17 . 1 . 1 7 7 VAL H H 1 8.355 0.000 . . . . . . . 30 V HN . 52730 1 18 . 1 . 1 7 7 VAL CA C 13 62.404 0.003 . . . . . . . 30 V CA . 52730 1 19 . 1 . 1 7 7 VAL CB C 13 32.819 0.022 . . . . . . . 30 V CB . 52730 1 20 . 1 . 1 7 7 VAL N N 15 123.021 0.000 . . . . . . . 30 V N . 52730 1 21 . 1 . 1 8 8 GLY H H 1 8.547 0.000 . . . . . . . 31 G HN . 52730 1 22 . 1 . 1 8 8 GLY CA C 13 44.912 0.004 . . . . . . . 31 G CA . 52730 1 23 . 1 . 1 8 8 GLY N N 15 113.181 0.000 . . . . . . . 31 G N . 52730 1 24 . 1 . 1 9 9 ALA H H 1 8.187 0.000 . . . . . . . 32 A HN . 52730 1 25 . 1 . 1 9 9 ALA CA C 13 52.263 0.024 . . . . . . . 32 A CA . 52730 1 26 . 1 . 1 9 9 ALA CB C 13 19.467 0.035 . . . . . . . 32 A CB . 52730 1 27 . 1 . 1 9 9 ALA N N 15 123.927 0.000 . . . . . . . 32 A N . 52730 1 28 . 1 . 1 10 10 ILE H H 1 8.352 0.000 . . . . . . . 33 I HN . 52730 1 29 . 1 . 1 10 10 ILE CA C 13 60.794 0.002 . . . . . . . 33 I CA . 52730 1 30 . 1 . 1 10 10 ILE CB C 13 38.641 0.037 . . . . . . . 33 I CB . 52730 1 31 . 1 . 1 10 10 ILE N N 15 121.406 0.000 . . . . . . . 33 I N . 52730 1 32 . 1 . 1 11 11 VAL H H 1 8.605 0.000 . . . . . . . 34 V HN . 52730 1 33 . 1 . 1 11 11 VAL CA C 13 59.840 0.000 . . . . . . . 34 V CA . 52730 1 34 . 1 . 1 11 11 VAL CB C 13 32.754 0.000 . . . . . . . 34 V CB . 52730 1 35 . 1 . 1 11 11 VAL N N 15 128.492 0.000 . . . . . . . 34 V N . 52730 1 36 . 1 . 1 14 14 SER CA C 13 55.826 0.000 . . . . . . . 37 S CA . 52730 1 37 . 1 . 1 14 14 SER CB C 13 64.310 0.000 . . . . . . . 37 S CB . 52730 1 38 . 1 . 1 15 15 SER H H 1 9.042 0.000 . . . . . . . 38 S HN . 52730 1 39 . 1 . 1 15 15 SER CA C 13 61.552 0.021 . . . . . . . 38 S CA . 52730 1 40 . 1 . 1 15 15 SER CB C 13 62.286 0.000 . . . . . . . 38 S CB . 52730 1 41 . 1 . 1 15 15 SER N N 15 120.542 0.000 . . . . . . . 38 S N . 52730 1 42 . 1 . 1 16 16 ILE H H 1 8.005 0.000 . . . . . . . 39 I HN . 52730 1 43 . 1 . 1 16 16 ILE CA C 13 64.382 0.004 . . . . . . . 39 I CA . 52730 1 44 . 1 . 1 16 16 ILE CB C 13 38.290 0.000 . . . . . . . 39 I CB . 52730 1 45 . 1 . 1 16 16 ILE N N 15 123.560 0.000 . . . . . . . 39 I N . 52730 1 46 . 1 . 1 17 17 THR H H 1 7.140 0.000 . . . . . . . 40 T HN . 52730 1 47 . 1 . 1 17 17 THR CA C 13 65.467 0.024 . . . . . . . 40 T CA . 52730 1 48 . 1 . 1 17 17 THR N N 15 120.279 0.000 . . . . . . . 40 T N . 52730 1 49 . 1 . 1 18 18 ALA H H 1 8.141 0.000 . . . . . . . 41 A HN . 52730 1 50 . 1 . 1 18 18 ALA CA C 13 55.151 0.002 . . . . . . . 41 A CA . 52730 1 51 . 1 . 1 18 18 ALA CB C 13 20.237 0.000 . . . . . . . 41 A CB . 52730 1 52 . 1 . 1 18 18 ALA N N 15 122.853 0.000 . . . . . . . 41 A N . 52730 1 53 . 1 . 1 19 19 LYS H H 1 7.975 0.000 . . . . . . . 42 K HN . 52730 1 54 . 1 . 1 19 19 LYS CA C 13 59.680 0.004 . . . . . . . 42 K CA . 52730 1 55 . 1 . 1 19 19 LYS CB C 13 32.563 0.000 . . . . . . . 42 K CB . 52730 1 56 . 1 . 1 19 19 LYS N N 15 116.679 0.000 . . . . . . . 42 K N . 52730 1 57 . 1 . 1 20 20 LYS H H 1 7.622 0.000 . . . . . . . 43 K HN . 52730 1 58 . 1 . 1 20 20 LYS CA C 13 57.844 0.010 . . . . . . . 43 K CA . 52730 1 59 . 1 . 1 20 20 LYS CB C 13 31.251 0.000 . . . . . . . 43 K CB . 52730 1 60 . 1 . 1 20 20 LYS N N 15 119.752 0.000 . . . . . . . 43 K N . 52730 1 61 . 1 . 1 21 21 MET H H 1 8.432 0.000 . . . . . . . 44 M HN . 52730 1 62 . 1 . 1 21 21 MET CA C 13 61.188 0.004 . . . . . . . 44 M CA . 52730 1 63 . 1 . 1 21 21 MET N N 15 120.164 0.000 . . . . . . . 44 M N . 52730 1 64 . 1 . 1 22 22 ALA H H 1 7.926 0.000 . . . . . . . 45 A HN . 52730 1 65 . 1 . 1 22 22 ALA CA C 13 52.910 0.006 . . . . . . . 45 A CA . 52730 1 66 . 1 . 1 22 22 ALA CB C 13 18.259 0.121 . . . . . . . 45 A CB . 52730 1 67 . 1 . 1 22 22 ALA N N 15 113.718 0.000 . . . . . . . 45 A N . 52730 1 68 . 1 . 1 23 23 SER H H 1 7.807 0.000 . . . . . . . 46 S HN . 52730 1 69 . 1 . 1 23 23 SER CA C 13 61.669 0.031 . . . . . . . 46 S CA . 52730 1 70 . 1 . 1 23 23 SER CB C 13 62.763 0.028 . . . . . . . 46 S CB . 52730 1 71 . 1 . 1 23 23 SER N N 15 116.337 0.000 . . . . . . . 46 S N . 52730 1 72 . 1 . 1 24 24 VAL H H 1 6.849 0.000 . . . . . . . 47 V HN . 52730 1 73 . 1 . 1 24 24 VAL CA C 13 62.386 0.010 . . . . . . . 47 V CA . 52730 1 74 . 1 . 1 24 24 VAL CB C 13 31.548 0.000 . . . . . . . 47 V CB . 52730 1 75 . 1 . 1 24 24 VAL N N 15 112.742 0.000 . . . . . . . 47 V N . 52730 1 76 . 1 . 1 25 25 ILE H H 1 6.930 0.000 . . . . . . . 48 I HN . 52730 1 77 . 1 . 1 25 25 ILE CA C 13 61.247 0.024 . . . . . . . 48 I CA . 52730 1 78 . 1 . 1 25 25 ILE CB C 13 39.742 0.000 . . . . . . . 48 I CB . 52730 1 79 . 1 . 1 25 25 ILE N N 15 121.080 0.000 . . . . . . . 48 I N . 52730 1 80 . 1 . 1 26 26 ASN H H 1 9.120 0.000 . . . . . . . 49 N HN . 52730 1 81 . 1 . 1 26 26 ASN CA C 13 49.128 0.000 . . . . . . . 49 N CA . 52730 1 82 . 1 . 1 26 26 ASN CB C 13 37.598 0.000 . . . . . . . 49 N CB . 52730 1 83 . 1 . 1 26 26 ASN N N 15 125.434 0.000 . . . . . . . 49 N N . 52730 1 84 . 1 . 1 27 27 PRO CA C 13 63.308 0.000 . . . . . . . 50 P CA . 52730 1 85 . 1 . 1 27 27 PRO CB C 13 31.964 0.000 . . . . . . . 50 P CB . 52730 1 86 . 1 . 1 28 28 HIS H H 1 7.833 0.000 . . . . . . . 51 H HN . 52730 1 87 . 1 . 1 28 28 HIS CA C 13 55.139 0.010 . . . . . . . 51 H CA . 52730 1 88 . 1 . 1 28 28 HIS CB C 13 30.133 0.022 . . . . . . . 51 H CB . 52730 1 89 . 1 . 1 28 28 HIS N N 15 116.009 0.000 . . . . . . . 51 H N . 52730 1 90 . 1 . 1 29 29 SER H H 1 7.677 0.000 . . . . . . . 52 S HN . 52730 1 91 . 1 . 1 29 29 SER CA C 13 59.736 0.018 . . . . . . . 52 S CA . 52730 1 92 . 1 . 1 29 29 SER CB C 13 64.288 0.099 . . . . . . . 52 S CB . 52730 1 93 . 1 . 1 29 29 SER N N 15 116.532 0.000 . . . . . . . 52 S N . 52730 1 94 . 1 . 1 30 30 GLY H H 1 8.257 0.000 . . . . . . . 53 G HN . 52730 1 95 . 1 . 1 30 30 GLY CA C 13 45.399 0.006 . . . . . . . 53 G CA . 52730 1 96 . 1 . 1 30 30 GLY N N 15 110.133 0.000 . . . . . . . 53 G N . 52730 1 97 . 1 . 1 31 31 LEU H H 1 7.704 0.000 . . . . . . . 54 L HN . 52730 1 98 . 1 . 1 31 31 LEU CA C 13 51.813 0.000 . . . . . . . 54 L CA . 52730 1 99 . 1 . 1 31 31 LEU CB C 13 42.728 0.000 . . . . . . . 54 L CB . 52730 1 100 . 1 . 1 31 31 LEU N N 15 121.574 0.000 . . . . . . . 54 L N . 52730 1 101 . 1 . 1 32 32 PRO CA C 13 62.356 0.000 . . . . . . . 55 P CA . 52730 1 102 . 1 . 1 33 33 VAL H H 1 8.895 0.000 . . . . . . . 56 V HN . 52730 1 103 . 1 . 1 33 33 VAL CA C 13 62.259 0.000 . . . . . . . 56 V CA . 52730 1 104 . 1 . 1 33 33 VAL N N 15 119.705 0.000 . . . . . . . 56 V N . 52730 1 105 . 1 . 1 34 34 LEU H H 1 7.108 0.000 . . . . . . . 57 L HN . 52730 1 106 . 1 . 1 34 34 LEU CA C 13 52.221 0.000 . . . . . . . 57 L CA . 52730 1 107 . 1 . 1 34 34 LEU N N 15 126.770 0.000 . . . . . . . 57 L N . 52730 1 108 . 1 . 1 35 35 GLU H H 1 9.390 0.000 . . . . . . . 58 E HN . 52730 1 109 . 1 . 1 35 35 GLU CA C 13 53.439 0.000 . . . . . . . 58 E CA . 52730 1 110 . 1 . 1 35 35 GLU N N 15 128.068 0.000 . . . . . . . 58 E N . 52730 1 111 . 1 . 1 36 36 LEU H H 1 9.207 0.000 . . . . . . . 59 L HN . 52730 1 112 . 1 . 1 36 36 LEU CA C 13 52.627 0.000 . . . . . . . 59 L CA . 52730 1 113 . 1 . 1 36 36 LEU N N 15 124.245 0.000 . . . . . . . 59 L N . 52730 1 114 . 1 . 1 39 39 GLY CA C 13 47.802 0.000 . . . . . . . 62 G CA . 52730 1 115 . 1 . 1 40 40 THR H H 1 8.110 0.000 . . . . . . . 63 T HN . 52730 1 116 . 1 . 1 40 40 THR CA C 13 62.635 0.000 . . . . . . . 63 T CA . 52730 1 117 . 1 . 1 40 40 THR N N 15 115.274 0.000 . . . . . . . 63 T N . 52730 1 118 . 1 . 1 45 45 LYS CA C 13 60.079 0.000 . . . . . . . 68 K CA . 52730 1 119 . 1 . 1 46 46 ALA H H 1 7.030 0.000 . . . . . . . 69 A HN . 52730 1 120 . 1 . 1 46 46 ALA CA C 13 54.552 0.000 . . . . . . . 69 A CA . 52730 1 121 . 1 . 1 46 46 ALA N N 15 122.137 0.000 . . . . . . . 69 A N . 52730 1 122 . 1 . 1 47 47 ILE CA C 13 66.310 0.000 . . . . . . . 70 I CA . 52730 1 123 . 1 . 1 47 47 ILE CB C 13 37.549 0.000 . . . . . . . 70 I CB . 52730 1 124 . 1 . 1 48 48 LEU H H 1 8.191 0.000 . . . . . . . 71 L HN . 52730 1 125 . 1 . 1 48 48 LEU CA C 13 57.582 0.006 . . . . . . . 71 L CA . 52730 1 126 . 1 . 1 48 48 LEU CB C 13 40.553 0.000 . . . . . . . 71 L CB . 52730 1 127 . 1 . 1 48 48 LEU N N 15 118.718 0.000 . . . . . . . 71 L N . 52730 1 128 . 1 . 1 49 49 ALA H H 1 8.007 0.000 . . . . . . . 72 A HN . 52730 1 129 . 1 . 1 49 49 ALA CA C 13 53.952 0.001 . . . . . . . 72 A CA . 52730 1 130 . 1 . 1 49 49 ALA CB C 13 17.718 0.024 . . . . . . . 72 A CB . 52730 1 131 . 1 . 1 49 49 ALA N N 15 121.855 0.000 . . . . . . . 72 A N . 52730 1 132 . 1 . 1 50 50 ARG H H 1 7.590 0.000 . . . . . . . 73 R HN . 52730 1 133 . 1 . 1 50 50 ARG CA C 13 54.562 0.017 . . . . . . . 73 R CA . 52730 1 134 . 1 . 1 50 50 ARG CB C 13 27.987 0.064 . . . . . . . 73 R CB . 52730 1 135 . 1 . 1 50 50 ARG N N 15 115.278 0.000 . . . . . . . 73 R N . 52730 1 136 . 1 . 1 51 51 GLY H H 1 8.084 0.000 . . . . . . . 74 G HN . 52730 1 137 . 1 . 1 51 51 GLY CA C 13 44.704 0.003 . . . . . . . 74 G CA . 52730 1 138 . 1 . 1 51 51 GLY N N 15 104.098 0.000 . . . . . . . 74 G N . 52730 1 139 . 1 . 1 52 52 ILE H H 1 6.347 0.000 . . . . . . . 75 I HN . 52730 1 140 . 1 . 1 52 52 ILE CA C 13 58.231 0.029 . . . . . . . 75 I CA . 52730 1 141 . 1 . 1 52 52 ILE CB C 13 37.509 0.000 . . . . . . . 75 I CB . 52730 1 142 . 1 . 1 52 52 ILE N N 15 117.392 0.000 . . . . . . . 75 I N . 52730 1 143 . 1 . 1 53 53 LYS H H 1 8.720 0.000 . . . . . . . 76 K HN . 52730 1 144 . 1 . 1 53 53 LYS CA C 13 54.736 0.000 . . . . . . . 76 K CA . 52730 1 145 . 1 . 1 53 53 LYS CB C 13 30.843 0.000 . . . . . . . 76 K CB . 52730 1 146 . 1 . 1 53 53 LYS N N 15 127.774 0.000 . . . . . . . 76 K N . 52730 1 147 . 1 . 1 54 54 PRO CA C 13 66.386 0.000 . . . . . . . 77 P CA . 52730 1 148 . 1 . 1 54 54 PRO CB C 13 31.366 0.000 . . . . . . . 77 P CB . 52730 1 149 . 1 . 1 55 55 GLU H H 1 8.943 0.000 . . . . . . . 78 E HN . 52730 1 150 . 1 . 1 55 55 GLU CA C 13 58.382 0.017 . . . . . . . 78 E CA . 52730 1 151 . 1 . 1 55 55 GLU CB C 13 28.037 0.000 . . . . . . . 78 E CB . 52730 1 152 . 1 . 1 55 55 GLU N N 15 111.450 0.000 . . . . . . . 78 E N . 52730 1 153 . 1 . 1 56 56 SER H H 1 8.181 0.000 . . . . . . . 79 S HN . 52730 1 154 . 1 . 1 56 56 SER CA C 13 58.671 0.012 . . . . . . . 79 S CA . 52730 1 155 . 1 . 1 56 56 SER CB C 13 63.951 0.081 . . . . . . . 79 S CB . 52730 1 156 . 1 . 1 56 56 SER N N 15 117.410 0.000 . . . . . . . 79 S N . 52730 1 157 . 1 . 1 57 57 LEU H H 1 7.789 0.000 . . . . . . . 80 L HN . 52730 1 158 . 1 . 1 57 57 LEU CA C 13 53.397 0.006 . . . . . . . 80 L CA . 52730 1 159 . 1 . 1 57 57 LEU CB C 13 43.110 0.000 . . . . . . . 80 L CB . 52730 1 160 . 1 . 1 57 57 LEU N N 15 123.805 0.000 . . . . . . . 80 L N . 52730 1 161 . 1 . 1 58 58 THR H H 1 8.799 0.000 . . . . . . . 81 T HN . 52730 1 162 . 1 . 1 58 58 THR CA C 13 61.290 0.060 . . . . . . . 81 T CA . 52730 1 163 . 1 . 1 58 58 THR CB C 13 70.941 0.000 . . . . . . . 81 T CB . 52730 1 164 . 1 . 1 58 58 THR N N 15 123.268 0.000 . . . . . . . 81 T N . 52730 1 165 . 1 . 1 59 59 ALA H H 1 8.048 0.000 . . . . . . . 82 A HN . 52730 1 166 . 1 . 1 59 59 ALA CA C 13 49.237 0.000 . . . . . . . 82 A CA . 52730 1 167 . 1 . 1 59 59 ALA N N 15 128.664 0.000 . . . . . . . 82 A N . 52730 1 168 . 1 . 1 60 60 ILE CA C 13 60.757 0.000 . . . . . . . 83 I CA . 52730 1 169 . 1 . 1 61 61 GLU H H 1 9.562 0.000 . . . . . . . 84 E HN . 52730 1 170 . 1 . 1 61 61 GLU CA C 13 53.474 0.000 . . . . . . . 84 E CA . 52730 1 171 . 1 . 1 61 61 GLU CB C 13 33.696 0.000 . . . . . . . 84 E CB . 52730 1 172 . 1 . 1 61 61 GLU N N 15 132.421 0.000 . . . . . . . 84 E N . 52730 1 173 . 1 . 1 62 62 TYR CA C 13 60.714 0.000 . . . . . . . 85 Y CA . 52730 1 174 . 1 . 1 63 63 SER H H 1 9.882 0.000 . . . . . . . 86 S HN . 52730 1 175 . 1 . 1 63 63 SER CA C 13 57.293 0.010 . . . . . . . 86 S CA . 52730 1 176 . 1 . 1 63 63 SER CB C 13 62.889 0.089 . . . . . . . 86 S CB . 52730 1 177 . 1 . 1 63 63 SER N N 15 114.983 0.000 . . . . . . . 86 S N . 52730 1 178 . 1 . 1 64 64 THR H H 1 9.019 0.000 . . . . . . . 87 T HN . 52730 1 179 . 1 . 1 64 64 THR CA C 13 67.196 0.012 . . . . . . . 87 T CA . 52730 1 180 . 1 . 1 64 64 THR CB C 13 68.761 0.011 . . . . . . . 87 T CB . 52730 1 181 . 1 . 1 64 64 THR N N 15 129.377 0.000 . . . . . . . 87 T N . 52730 1 182 . 1 . 1 65 65 ASP H H 1 8.114 0.000 . . . . . . . 88 D HN . 52730 1 183 . 1 . 1 65 65 ASP CA C 13 57.523 0.009 . . . . . . . 88 D CA . 52730 1 184 . 1 . 1 65 65 ASP CB C 13 40.382 0.099 . . . . . . . 88 D CB . 52730 1 185 . 1 . 1 65 65 ASP N N 15 120.591 0.000 . . . . . . . 88 D N . 52730 1 186 . 1 . 1 66 66 PHE H H 1 7.768 0.000 . . . . . . . 89 F HN . 52730 1 187 . 1 . 1 66 66 PHE CA C 13 58.742 0.002 . . . . . . . 89 F CA . 52730 1 188 . 1 . 1 66 66 PHE CB C 13 36.839 0.000 . . . . . . . 89 F CB . 52730 1 189 . 1 . 1 66 66 PHE N N 15 118.716 0.000 . . . . . . . 89 F N . 52730 1 190 . 1 . 1 67 67 TYR H H 1 8.630 0.000 . . . . . . . 90 Y HN . 52730 1 191 . 1 . 1 67 67 TYR CA C 13 61.762 0.018 . . . . . . . 90 Y CA . 52730 1 192 . 1 . 1 67 67 TYR CB C 13 38.691 0.000 . . . . . . . 90 Y CB . 52730 1 193 . 1 . 1 67 67 TYR N N 15 120.891 0.000 . . . . . . . 90 Y N . 52730 1 194 . 1 . 1 68 68 ASN H H 1 8.390 0.000 . . . . . . . 91 N HN . 52730 1 195 . 1 . 1 68 68 ASN CA C 13 55.983 0.011 . . . . . . . 91 N CA . 52730 1 196 . 1 . 1 68 68 ASN CB C 13 38.126 0.000 . . . . . . . 91 N CB . 52730 1 197 . 1 . 1 68 68 ASN N N 15 115.396 0.000 . . . . . . . 91 N N . 52730 1 198 . 1 . 1 69 69 GLN H H 1 7.396 0.000 . . . . . . . 92 Q HN . 52730 1 199 . 1 . 1 69 69 GLN CA C 13 58.365 0.015 . . . . . . . 92 Q CA . 52730 1 200 . 1 . 1 69 69 GLN CB C 13 28.468 0.057 . . . . . . . 92 Q CB . 52730 1 201 . 1 . 1 69 69 GLN N N 15 118.770 0.000 . . . . . . . 92 Q N . 52730 1 202 . 1 . 1 70 70 LEU H H 1 8.640 0.000 . . . . . . . 93 L HN . 52730 1 203 . 1 . 1 70 70 LEU CA C 13 58.234 0.025 . . . . . . . 93 L CA . 52730 1 204 . 1 . 1 70 70 LEU CB C 13 38.044 0.000 . . . . . . . 93 L CB . 52730 1 205 . 1 . 1 70 70 LEU N N 15 125.112 0.000 . . . . . . . 93 L N . 52730 1 206 . 1 . 1 71 71 LEU H H 1 7.319 0.000 . . . . . . . 94 L HN . 52730 1 207 . 1 . 1 71 71 LEU CA C 13 57.355 0.020 . . . . . . . 94 L CA . 52730 1 208 . 1 . 1 71 71 LEU CB C 13 42.791 0.000 . . . . . . . 94 L CB . 52730 1 209 . 1 . 1 71 71 LEU N N 15 115.955 0.000 . . . . . . . 94 L N . 52730 1 210 . 1 . 1 72 72 ARG H H 1 6.751 0.000 . . . . . . . 95 R HN . 52730 1 211 . 1 . 1 72 72 ARG CA C 13 57.403 0.012 . . . . . . . 95 R CA . 52730 1 212 . 1 . 1 72 72 ARG CB C 13 30.567 0.009 . . . . . . . 95 R CB . 52730 1 213 . 1 . 1 72 72 ARG N N 15 113.537 0.000 . . . . . . . 95 R N . 52730 1 214 . 1 . 1 73 73 SER H H 1 8.000 0.000 . . . . . . . 96 S HN . 52730 1 215 . 1 . 1 73 73 SER CA C 13 61.267 0.012 . . . . . . . 96 S CA . 52730 1 216 . 1 . 1 73 73 SER CB C 13 64.302 0.114 . . . . . . . 96 S CB . 52730 1 217 . 1 . 1 73 73 SER N N 15 115.928 0.000 . . . . . . . 96 S N . 52730 1 218 . 1 . 1 74 74 TYR H H 1 8.292 0.000 . . . . . . . 97 Y HN . 52730 1 219 . 1 . 1 74 74 TYR CA C 13 55.805 0.000 . . . . . . . 97 Y CA . 52730 1 220 . 1 . 1 74 74 TYR CB C 13 38.662 0.000 . . . . . . . 97 Y CB . 52730 1 221 . 1 . 1 74 74 TYR N N 15 118.368 0.000 . . . . . . . 97 Y N . 52730 1 222 . 1 . 1 75 75 PRO CA C 13 63.924 0.000 . . . . . . . 98 P CA . 52730 1 223 . 1 . 1 75 75 PRO CB C 13 31.677 0.000 . . . . . . . 98 P CB . 52730 1 224 . 1 . 1 76 76 GLY H H 1 8.663 0.000 . . . . . . . 99 G HN . 52730 1 225 . 1 . 1 76 76 GLY CA C 13 45.475 0.008 . . . . . . . 99 G CA . 52730 1 226 . 1 . 1 76 76 GLY N N 15 113.015 0.000 . . . . . . . 99 G N . 52730 1 227 . 1 . 1 77 77 VAL H H 1 6.945 0.000 . . . . . . . 100 V HN . 52730 1 228 . 1 . 1 77 77 VAL CA C 13 61.797 0.016 . . . . . . . 100 V CA . 52730 1 229 . 1 . 1 77 77 VAL CB C 13 32.551 0.000 . . . . . . . 100 V CB . 52730 1 230 . 1 . 1 77 77 VAL N N 15 121.240 0.000 . . . . . . . 100 V N . 52730 1 231 . 1 . 1 78 78 ASN H H 1 7.940 0.000 . . . . . . . 101 N HN . 52730 1 232 . 1 . 1 78 78 ASN CA C 13 51.985 0.025 . . . . . . . 101 N CA . 52730 1 233 . 1 . 1 78 78 ASN N N 15 125.669 0.000 . . . . . . . 101 N N . 52730 1 234 . 1 . 1 79 79 PHE H H 1 7.667 0.000 . . . . . . . 102 F HN . 52730 1 235 . 1 . 1 79 79 PHE CA C 13 59.389 0.017 . . . . . . . 102 F CA . 52730 1 236 . 1 . 1 79 79 PHE CB C 13 41.120 0.000 . . . . . . . 102 F CB . 52730 1 237 . 1 . 1 79 79 PHE N N 15 122.264 0.000 . . . . . . . 102 F N . 52730 1 238 . 1 . 1 80 80 VAL H H 1 9.360 0.000 . . . . . . . 103 V HN . 52730 1 239 . 1 . 1 80 80 VAL CA C 13 61.212 0.010 . . . . . . . 103 V CA . 52730 1 240 . 1 . 1 80 80 VAL CB C 13 35.871 0.000 . . . . . . . 103 V CB . 52730 1 241 . 1 . 1 80 80 VAL N N 15 123.194 0.000 . . . . . . . 103 V N . 52730 1 242 . 1 . 1 81 81 ASN H H 1 9.110 0.000 . . . . . . . 104 N HN . 52730 1 243 . 1 . 1 81 81 ASN CA C 13 49.336 0.014 . . . . . . . 104 N CA . 52730 1 244 . 1 . 1 81 81 ASN CB C 13 36.681 0.166 . . . . . . . 104 N CB . 52730 1 245 . 1 . 1 81 81 ASN N N 15 128.081 0.000 . . . . . . . 104 N N . 52730 1 246 . 1 . 1 82 82 GLY H H 1 7.493 0.000 . . . . . . . 105 G HN . 52730 1 247 . 1 . 1 82 82 GLY CA C 13 45.460 0.003 . . . . . . . 105 G CA . 52730 1 248 . 1 . 1 82 82 GLY N N 15 111.877 0.000 . . . . . . . 105 G N . 52730 1 249 . 1 . 1 83 83 ASP H H 1 8.291 0.000 . . . . . . . 106 D HN . 52730 1 250 . 1 . 1 83 83 ASP CA C 13 52.709 0.001 . . . . . . . 106 D CA . 52730 1 251 . 1 . 1 83 83 ASP CB C 13 41.926 0.023 . . . . . . . 106 D CB . 52730 1 252 . 1 . 1 83 83 ASP N N 15 118.801 0.000 . . . . . . . 106 D N . 52730 1 253 . 1 . 1 84 84 ALA H H 1 9.256 0.000 . . . . . . . 107 A HN . 52730 1 254 . 1 . 1 84 84 ALA CA C 13 54.169 0.003 . . . . . . . 107 A CA . 52730 1 255 . 1 . 1 84 84 ALA CB C 13 18.765 0.000 . . . . . . . 107 A CB . 52730 1 256 . 1 . 1 84 84 ALA N N 15 130.584 0.000 . . . . . . . 107 A N . 52730 1 257 . 1 . 1 85 85 PHE H H 1 7.873 0.000 . . . . . . . 108 F HN . 52730 1 258 . 1 . 1 85 85 PHE CA C 13 60.422 0.023 . . . . . . . 108 F CA . 52730 1 259 . 1 . 1 85 85 PHE CB C 13 37.448 0.000 . . . . . . . 108 F CB . 52730 1 260 . 1 . 1 85 85 PHE N N 15 107.704 0.000 . . . . . . . 108 F N . 52730 1 261 . 1 . 1 86 86 ASP H H 1 7.650 0.000 . . . . . . . 109 D HN . 52730 1 262 . 1 . 1 86 86 ASP CA C 13 51.627 0.027 . . . . . . . 109 D CA . 52730 1 263 . 1 . 1 86 86 ASP CB C 13 39.933 0.115 . . . . . . . 109 D CB . 52730 1 264 . 1 . 1 86 86 ASP N N 15 122.350 0.000 . . . . . . . 109 D N . 52730 1 265 . 1 . 1 87 87 LEU H H 1 7.936 0.000 . . . . . . . 110 L HN . 52730 1 266 . 1 . 1 87 87 LEU CA C 13 58.297 0.007 . . . . . . . 110 L CA . 52730 1 267 . 1 . 1 87 87 LEU CB C 13 41.497 0.000 . . . . . . . 110 L CB . 52730 1 268 . 1 . 1 87 87 LEU N N 15 123.813 0.000 . . . . . . . 110 L N . 52730 1 269 . 1 . 1 88 88 ASP H H 1 8.358 0.000 . . . . . . . 111 D HN . 52730 1 270 . 1 . 1 88 88 ASP CA C 13 57.320 0.022 . . . . . . . 111 D CA . 52730 1 271 . 1 . 1 88 88 ASP CB C 13 39.877 0.113 . . . . . . . 111 D CB . 52730 1 272 . 1 . 1 88 88 ASP N N 15 118.243 0.000 . . . . . . . 111 D N . 52730 1 273 . 1 . 1 89 89 ALA H H 1 7.467 0.000 . . . . . . . 112 A HN . 52730 1 274 . 1 . 1 89 89 ALA CA C 13 54.153 0.029 . . . . . . . 112 A CA . 52730 1 275 . 1 . 1 89 89 ALA CB C 13 19.215 0.080 . . . . . . . 112 A CB . 52730 1 276 . 1 . 1 89 89 ALA N N 15 120.434 0.000 . . . . . . . 112 A N . 52730 1 277 . 1 . 1 90 90 THR H H 1 7.998 0.000 . . . . . . . 113 T HN . 52730 1 278 . 1 . 1 90 90 THR CA C 13 64.617 0.001 . . . . . . . 113 T CA . 52730 1 279 . 1 . 1 90 90 THR CB C 13 69.114 0.000 . . . . . . . 113 T CB . 52730 1 280 . 1 . 1 90 90 THR N N 15 112.100 0.000 . . . . . . . 113 T N . 52730 1 281 . 1 . 1 91 91 LEU H H 1 8.585 0.000 . . . . . . . 114 L HN . 52730 1 282 . 1 . 1 91 91 LEU CA C 13 54.814 0.010 . . . . . . . 114 L CA . 52730 1 283 . 1 . 1 91 91 LEU CB C 13 42.725 0.048 . . . . . . . 114 L CB . 52730 1 284 . 1 . 1 91 91 LEU N N 15 118.474 0.000 . . . . . . . 114 L N . 52730 1 285 . 1 . 1 92 92 GLY H H 1 7.380 0.000 . . . . . . . 115 G HN . 52730 1 286 . 1 . 1 92 92 GLY CA C 13 45.392 0.004 . . . . . . . 115 G CA . 52730 1 287 . 1 . 1 92 92 GLY N N 15 109.295 0.000 . . . . . . . 115 G N . 52730 1 288 . 1 . 1 93 93 GLU H H 1 8.789 0.000 . . . . . . . 116 E HN . 52730 1 289 . 1 . 1 93 93 GLU CA C 13 57.050 0.000 . . . . . . . 116 E CA . 52730 1 290 . 1 . 1 93 93 GLU N N 15 121.896 0.000 . . . . . . . 116 E N . 52730 1 291 . 1 . 1 96 96 GLY CA C 13 45.155 0.000 . . . . . . . 119 G CA . 52730 1 292 . 1 . 1 97 97 GLN H H 1 7.823 0.000 . . . . . . . 120 Q HN . 52730 1 293 . 1 . 1 97 97 GLN CA C 13 56.151 0.013 . . . . . . . 120 Q CA . 52730 1 294 . 1 . 1 97 97 GLN N N 15 121.169 0.000 . . . . . . . 120 Q N . 52730 1 295 . 1 . 1 98 98 MET H H 1 7.975 0.000 . . . . . . . 121 M HN . 52730 1 296 . 1 . 1 98 98 MET CA C 13 53.030 0.008 . . . . . . . 121 M CA . 52730 1 297 . 1 . 1 98 98 MET N N 15 124.250 0.000 . . . . . . . 121 M N . 52730 1 298 . 1 . 1 99 99 PHE H H 1 9.300 0.000 . . . . . . . 122 F HN . 52730 1 299 . 1 . 1 99 99 PHE CA C 13 56.560 0.022 . . . . . . . 122 F CA . 52730 1 300 . 1 . 1 99 99 PHE N N 15 119.507 0.000 . . . . . . . 122 F N . 52730 1 301 . 1 . 1 100 100 ASP H H 1 9.687 0.000 . . . . . . . 123 D HN . 52730 1 302 . 1 . 1 100 100 ASP CA C 13 58.204 0.019 . . . . . . . 123 D CA . 52730 1 303 . 1 . 1 100 100 ASP CB C 13 46.562 0.000 . . . . . . . 123 D CB . 52730 1 304 . 1 . 1 100 100 ASP N N 15 117.514 0.000 . . . . . . . 123 D N . 52730 1 305 . 1 . 1 101 101 SER H H 1 7.456 0.000 . . . . . . . 124 S HN . 52730 1 306 . 1 . 1 101 101 SER CA C 13 56.937 0.024 . . . . . . . 124 S CA . 52730 1 307 . 1 . 1 101 101 SER CB C 13 63.504 0.000 . . . . . . . 124 S CB . 52730 1 308 . 1 . 1 101 101 SER N N 15 100.886 0.000 . . . . . . . 124 S N . 52730 1 309 . 1 . 1 102 102 VAL H H 1 7.830 0.000 . . . . . . . 125 V HN . 52730 1 310 . 1 . 1 102 102 VAL CA C 13 59.699 0.000 . . . . . . . 125 V CA . 52730 1 311 . 1 . 1 102 102 VAL N N 15 116.247 0.000 . . . . . . . 125 V N . 52730 1 312 . 1 . 1 103 103 ILE H H 1 9.175 0.000 . . . . . . . 126 I HN . 52730 1 313 . 1 . 1 103 103 ILE N N 15 128.447 0.000 . . . . . . . 126 I N . 52730 1 314 . 1 . 1 104 104 SER H H 1 9.333 0.000 . . . . . . . 127 S HN . 52730 1 315 . 1 . 1 104 104 SER CA C 13 57.536 0.000 . . . . . . . 127 S CA . 52730 1 316 . 1 . 1 104 104 SER CB C 13 63.561 0.000 . . . . . . . 127 S CB . 52730 1 317 . 1 . 1 104 104 SER N N 15 119.520 0.000 . . . . . . . 127 S N . 52730 1 318 . 1 . 1 105 105 ALA H H 1 8.332 0.000 . . . . . . . 128 A HN . 52730 1 319 . 1 . 1 105 105 ALA CA C 13 50.466 0.000 . . . . . . . 128 A CA . 52730 1 320 . 1 . 1 105 105 ALA N N 15 128.617 0.000 . . . . . . . 128 A N . 52730 1 321 . 1 . 1 107 107 PRO CA C 13 64.825 0.000 . . . . . . . 130 P CA . 52730 1 322 . 1 . 1 107 107 PRO CB C 13 31.964 0.000 . . . . . . . 130 P CB . 52730 1 323 . 1 . 1 108 108 MET H H 1 8.394 0.000 . . . . . . . 131 M HN . 52730 1 324 . 1 . 1 108 108 MET CA C 13 56.710 0.006 . . . . . . . 131 M CA . 52730 1 325 . 1 . 1 108 108 MET CB C 13 29.254 0.053 . . . . . . . 131 M CB . 52730 1 326 . 1 . 1 108 108 MET N N 15 113.130 0.000 . . . . . . . 131 M N . 52730 1 327 . 1 . 1 109 109 LEU H H 1 7.803 0.000 . . . . . . . 132 L HN . 52730 1 328 . 1 . 1 109 109 LEU CA C 13 55.581 0.006 . . . . . . . 132 L CA . 52730 1 329 . 1 . 1 109 109 LEU CB C 13 46.097 0.000 . . . . . . . 132 L CB . 52730 1 330 . 1 . 1 109 109 LEU N N 15 120.578 0.000 . . . . . . . 132 L N . 52730 1 331 . 1 . 1 110 110 ASN H H 1 7.488 0.000 . . . . . . . 133 N HN . 52730 1 332 . 1 . 1 110 110 ASN CA C 13 55.236 0.000 . . . . . . . 133 N CA . 52730 1 333 . 1 . 1 110 110 ASN CB C 13 40.346 0.000 . . . . . . . 133 N CB . 52730 1 334 . 1 . 1 110 110 ASN N N 15 115.540 0.000 . . . . . . . 133 N N . 52730 1 335 . 1 . 1 112 112 PRO CA C 13 62.615 0.000 . . . . . . . 135 P CA . 52730 1 336 . 1 . 1 112 112 PRO CB C 13 32.230 0.000 . . . . . . . 135 P CB . 52730 1 337 . 1 . 1 113 113 MET H H 1 9.136 0.000 . . . . . . . 136 M HN . 52730 1 338 . 1 . 1 113 113 MET CA C 13 57.962 0.021 . . . . . . . 136 M CA . 52730 1 339 . 1 . 1 113 113 MET CB C 13 29.729 0.000 . . . . . . . 136 M CB . 52730 1 340 . 1 . 1 113 113 MET N N 15 123.701 0.000 . . . . . . . 136 M N . 52730 1 341 . 1 . 1 114 114 ALA H H 1 9.075 0.000 . . . . . . . 137 A HN . 52730 1 342 . 1 . 1 114 114 ALA CA C 13 55.518 0.006 . . . . . . . 137 A CA . 52730 1 343 . 1 . 1 114 114 ALA CB C 13 18.078 0.014 . . . . . . . 137 A CB . 52730 1 344 . 1 . 1 114 114 ALA N N 15 118.379 0.000 . . . . . . . 137 A N . 52730 1 345 . 1 . 1 115 115 ALA H H 1 7.256 0.000 . . . . . . . 138 A HN . 52730 1 346 . 1 . 1 115 115 ALA CA C 13 54.224 0.003 . . . . . . . 138 A CA . 52730 1 347 . 1 . 1 115 115 ALA CB C 13 18.239 0.104 . . . . . . . 138 A CB . 52730 1 348 . 1 . 1 115 115 ALA N N 15 118.839 0.000 . . . . . . . 138 A N . 52730 1 349 . 1 . 1 116 116 ARG H H 1 7.729 0.000 . . . . . . . 139 R HN . 52730 1 350 . 1 . 1 116 116 ARG CA C 13 59.514 0.028 . . . . . . . 139 R CA . 52730 1 351 . 1 . 1 116 116 ARG CB C 13 31.905 0.000 . . . . . . . 139 R CB . 52730 1 352 . 1 . 1 116 116 ARG N N 15 118.622 0.000 . . . . . . . 139 R N . 52730 1 353 . 1 . 1 117 117 ILE H H 1 7.921 0.000 . . . . . . . 140 I HN . 52730 1 354 . 1 . 1 117 117 ILE CA C 13 65.309 0.014 . . . . . . . 140 I CA . 52730 1 355 . 1 . 1 117 117 ILE N N 15 115.851 0.000 . . . . . . . 140 I N . 52730 1 356 . 1 . 1 118 118 LYS H H 1 7.366 0.000 . . . . . . . 141 K HN . 52730 1 357 . 1 . 1 118 118 LYS CA C 13 59.166 0.016 . . . . . . . 141 K CA . 52730 1 358 . 1 . 1 118 118 LYS CB C 13 32.662 0.000 . . . . . . . 141 K CB . 52730 1 359 . 1 . 1 118 118 LYS N N 15 118.071 0.000 . . . . . . . 141 K N . 52730 1 360 . 1 . 1 119 119 LEU H H 1 7.749 0.000 . . . . . . . 142 L HN . 52730 1 361 . 1 . 1 119 119 LEU CA C 13 57.615 0.001 . . . . . . . 142 L CA . 52730 1 362 . 1 . 1 119 119 LEU CB C 13 40.511 0.000 . . . . . . . 142 L CB . 52730 1 363 . 1 . 1 119 119 LEU N N 15 117.974 0.000 . . . . . . . 142 L N . 52730 1 364 . 1 . 1 120 120 LEU H H 1 7.866 0.000 . . . . . . . 143 L HN . 52730 1 365 . 1 . 1 120 120 LEU CA C 13 58.106 0.023 . . . . . . . 143 L CA . 52730 1 366 . 1 . 1 120 120 LEU CB C 13 40.753 0.049 . . . . . . . 143 L CB . 52730 1 367 . 1 . 1 120 120 LEU N N 15 118.617 0.000 . . . . . . . 143 L N . 52730 1 368 . 1 . 1 121 121 ASP H H 1 8.471 0.000 . . . . . . . 144 D HN . 52730 1 369 . 1 . 1 121 121 ASP CA C 13 57.953 0.013 . . . . . . . 144 D CA . 52730 1 370 . 1 . 1 121 121 ASP CB C 13 42.291 0.000 . . . . . . . 144 D CB . 52730 1 371 . 1 . 1 121 121 ASP N N 15 116.542 0.000 . . . . . . . 144 D N . 52730 1 372 . 1 . 1 122 122 GLU H H 1 8.170 0.000 . . . . . . . 145 E HN . 52730 1 373 . 1 . 1 122 122 GLU CA C 13 59.404 0.027 . . . . . . . 145 E CA . 52730 1 374 . 1 . 1 122 122 GLU CB C 13 29.479 0.000 . . . . . . . 145 E CB . 52730 1 375 . 1 . 1 122 122 GLU N N 15 115.866 0.000 . . . . . . . 145 E N . 52730 1 376 . 1 . 1 123 123 LEU H H 1 9.022 0.000 . . . . . . . 146 L HN . 52730 1 377 . 1 . 1 123 123 LEU CA C 13 57.907 0.005 . . . . . . . 146 L CA . 52730 1 378 . 1 . 1 123 123 LEU CB C 13 42.569 0.000 . . . . . . . 146 L CB . 52730 1 379 . 1 . 1 123 123 LEU N N 15 122.702 0.000 . . . . . . . 146 L N . 52730 1 380 . 1 . 1 124 124 LEU H H 1 8.197 0.000 . . . . . . . 147 L HN . 52730 1 381 . 1 . 1 124 124 LEU CA C 13 56.422 0.008 . . . . . . . 147 L CA . 52730 1 382 . 1 . 1 124 124 LEU CB C 13 41.604 0.000 . . . . . . . 147 L CB . 52730 1 383 . 1 . 1 124 124 LEU N N 15 115.848 0.000 . . . . . . . 147 L N . 52730 1 384 . 1 . 1 125 125 LYS H H 1 7.310 0.000 . . . . . . . 148 K HN . 52730 1 385 . 1 . 1 125 125 LYS CA C 13 58.037 0.015 . . . . . . . 148 K CA . 52730 1 386 . 1 . 1 125 125 LYS N N 15 116.981 0.000 . . . . . . . 148 K N . 52730 1 387 . 1 . 1 126 126 ARG H H 1 7.811 0.000 . . . . . . . 149 R HN . 52730 1 388 . 1 . 1 126 126 ARG CA C 13 55.582 0.009 . . . . . . . 149 R CA . 52730 1 389 . 1 . 1 126 126 ARG CB C 13 30.099 0.000 . . . . . . . 149 R CB . 52730 1 390 . 1 . 1 126 126 ARG N N 15 115.944 0.000 . . . . . . . 149 R N . 52730 1 391 . 1 . 1 127 127 VAL H H 1 6.982 0.000 . . . . . . . 150 V HN . 52730 1 392 . 1 . 1 127 127 VAL CA C 13 57.124 0.000 . . . . . . . 150 V CA . 52730 1 393 . 1 . 1 127 127 VAL CB C 13 32.686 0.000 . . . . . . . 150 V CB . 52730 1 394 . 1 . 1 127 127 VAL N N 15 109.379 0.000 . . . . . . . 150 V N . 52730 1 395 . 1 . 1 128 128 PRO CA C 13 62.510 0.000 . . . . . . . 151 P CA . 52730 1 396 . 1 . 1 129 129 HIS H H 1 8.859 0.000 . . . . . . . 152 H HN . 52730 1 397 . 1 . 1 129 129 HIS CA C 13 59.890 0.008 . . . . . . . 152 H CA . 52730 1 398 . 1 . 1 129 129 HIS CB C 13 30.116 0.144 . . . . . . . 152 H CB . 52730 1 399 . 1 . 1 129 129 HIS N N 15 122.426 0.000 . . . . . . . 152 H N . 52730 1 400 . 1 . 1 130 130 GLY H H 1 8.502 0.000 . . . . . . . 153 G HN . 52730 1 401 . 1 . 1 130 130 GLY CA C 13 44.925 0.009 . . . . . . . 153 G CA . 52730 1 402 . 1 . 1 130 130 GLY N N 15 116.832 0.000 . . . . . . . 153 G N . 52730 1 403 . 1 . 1 131 131 ARG H H 1 8.348 0.000 . . . . . . . 154 R HN . 52730 1 404 . 1 . 1 131 131 ARG CA C 13 50.376 0.000 . . . . . . . 154 R CA . 52730 1 405 . 1 . 1 131 131 ARG N N 15 121.754 0.000 . . . . . . . 154 R N . 52730 1 406 . 1 . 1 132 132 PRO CA C 13 63.070 0.000 . . . . . . . 155 P CA . 52730 1 407 . 1 . 1 132 132 PRO CB C 13 32.462 0.000 . . . . . . . 155 P CB . 52730 1 408 . 1 . 1 133 133 VAL H H 1 8.178 0.000 . . . . . . . 156 V HN . 52730 1 409 . 1 . 1 133 133 VAL CA C 13 61.335 0.000 . . . . . . . 156 V CA . 52730 1 410 . 1 . 1 133 133 VAL N N 15 116.077 0.000 . . . . . . . 156 V N . 52730 1 411 . 1 . 1 134 134 VAL H H 1 9.190 0.000 . . . . . . . 157 V HN . 52730 1 412 . 1 . 1 134 134 VAL CA C 13 59.100 0.013 . . . . . . . 157 V CA . 52730 1 413 . 1 . 1 134 134 VAL N N 15 126.820 0.000 . . . . . . . 157 V N . 52730 1 414 . 1 . 1 135 135 GLN H H 1 9.334 0.000 . . . . . . . 158 Q HN . 52730 1 415 . 1 . 1 135 135 GLN CA C 13 53.327 0.028 . . . . . . . 158 Q CA . 52730 1 416 . 1 . 1 135 135 GLN N N 15 128.201 0.000 . . . . . . . 158 Q N . 52730 1 417 . 1 . 1 136 136 ILE H H 1 7.598 0.000 . . . . . . . 159 I HN . 52730 1 418 . 1 . 1 136 136 ILE CA C 13 58.904 0.040 . . . . . . . 159 I CA . 52730 1 419 . 1 . 1 136 136 ILE N N 15 124.294 0.000 . . . . . . . 159 I N . 52730 1 420 . 1 . 1 137 137 SER H H 1 9.349 0.000 . . . . . . . 160 S HN . 52730 1 421 . 1 . 1 137 137 SER CA C 13 57.834 0.001 . . . . . . . 160 S CA . 52730 1 422 . 1 . 1 137 137 SER CB C 13 64.621 0.000 . . . . . . . 160 S CB . 52730 1 423 . 1 . 1 137 137 SER N N 15 124.282 0.000 . . . . . . . 160 S N . 52730 1 424 . 1 . 1 138 138 TYR H H 1 8.391 0.000 . . . . . . . 161 Y HN . 52730 1 425 . 1 . 1 138 138 TYR CA C 13 57.362 0.005 . . . . . . . 161 Y CA . 52730 1 426 . 1 . 1 138 138 TYR CB C 13 39.943 0.000 . . . . . . . 161 Y CB . 52730 1 427 . 1 . 1 138 138 TYR N N 15 117.060 0.000 . . . . . . . 161 Y N . 52730 1 428 . 1 . 1 139 139 GLY H H 1 8.658 0.000 . . . . . . . 162 G HN . 52730 1 429 . 1 . 1 139 139 GLY CA C 13 44.548 0.000 . . . . . . . 162 G CA . 52730 1 430 . 1 . 1 139 139 GLY N N 15 111.331 0.000 . . . . . . . 162 G N . 52730 1 431 . 1 . 1 140 140 PRO CA C 13 64.680 0.000 . . . . . . . 163 P CA . 52730 1 432 . 1 . 1 140 140 PRO CB C 13 32.554 0.000 . . . . . . . 163 P CB . 52730 1 433 . 1 . 1 141 141 ILE H H 1 7.511 0.000 . . . . . . . 164 I HN . 52730 1 434 . 1 . 1 141 141 ILE CA C 13 59.204 0.006 . . . . . . . 164 I CA . 52730 1 435 . 1 . 1 141 141 ILE CB C 13 40.567 0.079 . . . . . . . 164 I CB . 52730 1 436 . 1 . 1 141 141 ILE N N 15 114.204 0.000 . . . . . . . 164 I N . 52730 1 437 . 1 . 1 142 142 SER H H 1 8.405 0.000 . . . . . . . 165 S HN . 52730 1 438 . 1 . 1 142 142 SER CA C 13 55.018 0.000 . . . . . . . 165 S CA . 52730 1 439 . 1 . 1 142 142 SER CB C 13 63.489 0.000 . . . . . . . 165 S CB . 52730 1 440 . 1 . 1 142 142 SER N N 15 122.981 0.000 . . . . . . . 165 S N . 52730 1 441 . 1 . 1 143 143 PRO CA C 13 63.470 0.000 . . . . . . . 166 P CA . 52730 1 442 . 1 . 1 143 143 PRO CB C 13 31.614 0.000 . . . . . . . 166 P CB . 52730 1 443 . 1 . 1 144 144 ILE H H 1 6.797 0.000 . . . . . . . 167 I HN . 52730 1 444 . 1 . 1 144 144 ILE CA C 13 60.603 0.002 . . . . . . . 167 I CA . 52730 1 445 . 1 . 1 144 144 ILE CB C 13 40.177 0.000 . . . . . . . 167 I CB . 52730 1 446 . 1 . 1 144 144 ILE N N 15 116.812 0.000 . . . . . . . 167 I N . 52730 1 447 . 1 . 1 145 145 VAL H H 1 7.165 0.000 . . . . . . . 168 V HN . 52730 1 448 . 1 . 1 145 145 VAL CA C 13 61.546 0.024 . . . . . . . 168 V CA . 52730 1 449 . 1 . 1 145 145 VAL CB C 13 32.803 0.000 . . . . . . . 168 V CB . 52730 1 450 . 1 . 1 145 145 VAL N N 15 126.312 0.000 . . . . . . . 168 V N . 52730 1 451 . 1 . 1 146 146 ALA H H 1 8.384 0.000 . . . . . . . 169 A HN . 52730 1 452 . 1 . 1 146 146 ALA CA C 13 53.847 0.000 . . . . . . . 169 A CA . 52730 1 453 . 1 . 1 146 146 ALA N N 15 125.806 0.000 . . . . . . . 169 A N . 52730 1 454 . 1 . 1 151 151 TYR CA C 13 55.251 0.000 . . . . . . . 174 Y CA . 52730 1 455 . 1 . 1 152 152 HIS H H 1 9.433 0.000 . . . . . . . 175 H HN . 52730 1 456 . 1 . 1 152 152 HIS CA C 13 54.543 0.013 . . . . . . . 175 H CA . 52730 1 457 . 1 . 1 152 152 HIS CB C 13 32.779 0.111 . . . . . . . 175 H CB . 52730 1 458 . 1 . 1 152 152 HIS N N 15 118.613 0.000 . . . . . . . 175 H N . 52730 1 459 . 1 . 1 153 153 ILE H H 1 8.663 0.000 . . . . . . . 176 I HN . 52730 1 460 . 1 . 1 153 153 ILE CA C 13 61.659 0.000 . . . . . . . 176 I CA . 52730 1 461 . 1 . 1 153 153 ILE CB C 13 39.827 0.148 . . . . . . . 176 I CB . 52730 1 462 . 1 . 1 153 153 ILE N N 15 123.712 0.000 . . . . . . . 176 I N . 52730 1 463 . 1 . 1 154 154 ARG H H 1 9.060 0.000 . . . . . . . 177 R HN . 52730 1 464 . 1 . 1 154 154 ARG CA C 13 54.700 0.036 . . . . . . . 177 R CA . 52730 1 465 . 1 . 1 154 154 ARG CB C 13 33.136 0.052 . . . . . . . 177 R CB . 52730 1 466 . 1 . 1 154 154 ARG N N 15 127.932 0.000 . . . . . . . 177 R N . 52730 1 467 . 1 . 1 155 155 HIS H H 1 9.224 0.000 . . . . . . . 178 H HN . 52730 1 468 . 1 . 1 155 155 HIS CA C 13 57.682 0.023 . . . . . . . 178 H CA . 52730 1 469 . 1 . 1 155 155 HIS N N 15 125.852 0.000 . . . . . . . 178 H N . 52730 1 470 . 1 . 1 156 156 PHE H H 1 8.452 0.000 . . . . . . . 179 F HN . 52730 1 471 . 1 . 1 156 156 PHE CA C 13 57.142 0.020 . . . . . . . 179 F CA . 52730 1 472 . 1 . 1 156 156 PHE N N 15 131.163 0.000 . . . . . . . 179 F N . 52730 1 473 . 1 . 1 157 157 ASP H H 1 7.224 0.000 . . . . . . . 180 D HN . 52730 1 474 . 1 . 1 157 157 ASP CA C 13 53.423 0.001 . . . . . . . 180 D CA . 52730 1 475 . 1 . 1 157 157 ASP CB C 13 44.704 0.000 . . . . . . . 180 D CB . 52730 1 476 . 1 . 1 157 157 ASP N N 15 114.093 0.000 . . . . . . . 180 D N . 52730 1 477 . 1 . 1 158 158 PHE H H 1 9.049 0.000 . . . . . . . 181 F HN . 52730 1 478 . 1 . 1 158 158 PHE CA C 13 55.434 0.010 . . . . . . . 181 F CA . 52730 1 479 . 1 . 1 158 158 PHE CB C 13 40.869 0.000 . . . . . . . 181 F CB . 52730 1 480 . 1 . 1 158 158 PHE N N 15 120.826 0.000 . . . . . . . 181 F N . 52730 1 481 . 1 . 1 159 159 ILE H H 1 9.286 0.000 . . . . . . . 182 I HN . 52730 1 482 . 1 . 1 159 159 ILE CA C 13 59.299 0.031 . . . . . . . 182 I CA . 52730 1 483 . 1 . 1 159 159 ILE CB C 13 37.291 0.000 . . . . . . . 182 I CB . 52730 1 484 . 1 . 1 159 159 ILE N N 15 129.339 0.000 . . . . . . . 182 I N . 52730 1 485 . 1 . 1 160 160 VAL H H 1 7.943 0.000 . . . . . . . 183 V HN . 52730 1 486 . 1 . 1 160 160 VAL CA C 13 63.873 0.053 . . . . . . . 183 V CA . 52730 1 487 . 1 . 1 160 160 VAL CB C 13 31.631 0.150 . . . . . . . 183 V CB . 52730 1 488 . 1 . 1 160 160 VAL N N 15 126.626 0.000 . . . . . . . 183 V N . 52730 1 489 . 1 . 1 161 161 ARG H H 1 7.525 0.000 . . . . . . . 184 R HN . 52730 1 490 . 1 . 1 161 161 ARG CA C 13 55.589 0.005 . . . . . . . 184 R CA . 52730 1 491 . 1 . 1 161 161 ARG CB C 13 29.329 0.000 . . . . . . . 184 R CB . 52730 1 492 . 1 . 1 161 161 ARG N N 15 118.076 0.000 . . . . . . . 184 R N . 52730 1 493 . 1 . 1 162 162 ASN H H 1 7.398 0.000 . . . . . . . 185 N HN . 52730 1 494 . 1 . 1 162 162 ASN CA C 13 53.697 0.005 . . . . . . . 185 N CA . 52730 1 495 . 1 . 1 162 162 ASN CB C 13 42.014 0.000 . . . . . . . 185 N CB . 52730 1 496 . 1 . 1 162 162 ASN N N 15 120.526 0.000 . . . . . . . 185 N N . 52730 1 497 . 1 . 1 163 163 ILE H H 1 8.689 0.000 . . . . . . . 186 I HN . 52730 1 498 . 1 . 1 163 163 ILE CA C 13 57.797 0.000 . . . . . . . 186 I CA . 52730 1 499 . 1 . 1 163 163 ILE N N 15 125.159 0.000 . . . . . . . 186 I N . 52730 1 500 . 1 . 1 165 165 PRO CA C 13 65.065 0.000 . . . . . . . 188 P CA . 52730 1 501 . 1 . 1 165 165 PRO CB C 13 33.187 0.000 . . . . . . . 188 P CB . 52730 1 502 . 1 . 1 166 166 ALA H H 1 7.727 0.000 . . . . . . . 189 A HN . 52730 1 503 . 1 . 1 166 166 ALA CA C 13 51.046 0.038 . . . . . . . 189 A CA . 52730 1 504 . 1 . 1 166 166 ALA CB C 13 21.873 0.000 . . . . . . . 189 A CB . 52730 1 505 . 1 . 1 166 166 ALA N N 15 124.342 0.000 . . . . . . . 189 A N . 52730 1 506 . 1 . 1 167 167 GLN H H 1 8.840 0.000 . . . . . . . 190 Q HN . 52730 1 507 . 1 . 1 167 167 GLN CA C 13 54.423 0.001 . . . . . . . 190 Q CA . 52730 1 508 . 1 . 1 167 167 GLN N N 15 121.025 0.000 . . . . . . . 190 Q N . 52730 1 509 . 1 . 1 168 168 LEU H H 1 8.427 0.000 . . . . . . . 191 L HN . 52730 1 510 . 1 . 1 168 168 LEU CA C 13 52.476 0.042 . . . . . . . 191 L CA . 52730 1 511 . 1 . 1 168 168 LEU CB C 13 44.922 0.000 . . . . . . . 191 L CB . 52730 1 512 . 1 . 1 168 168 LEU N N 15 118.709 0.000 . . . . . . . 191 L N . 52730 1 513 . 1 . 1 169 169 TRP H H 1 8.786 0.000 . . . . . . . 192 W HN . 52730 1 514 . 1 . 1 169 169 TRP HE1 H 1 9.990 0.000 . . . . . . . 192 W HE1 . 52730 1 515 . 1 . 1 169 169 TRP CA C 13 55.189 0.006 . . . . . . . 192 W CA . 52730 1 516 . 1 . 1 169 169 TRP CB C 13 33.396 0.000 . . . . . . . 192 W CB . 52730 1 517 . 1 . 1 169 169 TRP N N 15 124.404 0.000 . . . . . . . 192 W N . 52730 1 518 . 1 . 1 169 169 TRP NE1 N 15 129.668 0.000 . . . . . . . 192 W NE1 . 52730 1 519 . 1 . 1 170 170 THR H H 1 9.133 0.000 . . . . . . . 193 T HN . 52730 1 520 . 1 . 1 170 170 THR CA C 13 59.258 0.039 . . . . . . . 193 T CA . 52730 1 521 . 1 . 1 170 170 THR CB C 13 71.305 0.041 . . . . . . . 193 T CB . 52730 1 522 . 1 . 1 170 170 THR N N 15 111.063 0.000 . . . . . . . 193 T N . 52730 1 523 . 1 . 1 171 171 TYR H H 1 8.882 0.000 . . . . . . . 194 Y HN . 52730 1 524 . 1 . 1 171 171 TYR CA C 13 55.711 0.010 . . . . . . . 194 Y CA . 52730 1 525 . 1 . 1 171 171 TYR CB C 13 43.007 0.000 . . . . . . . 194 Y CB . 52730 1 526 . 1 . 1 171 171 TYR N N 15 121.594 0.000 . . . . . . . 194 Y N . 52730 1 527 . 1 . 1 172 172 THR H H 1 8.072 0.000 . . . . . . . 195 T HN . 52730 1 528 . 1 . 1 172 172 THR CA C 13 59.105 0.010 . . . . . . . 195 T CA . 52730 1 529 . 1 . 1 172 172 THR CB C 13 72.248 0.005 . . . . . . . 195 T CB . 52730 1 530 . 1 . 1 172 172 THR N N 15 110.057 0.000 . . . . . . . 195 T N . 52730 1 531 . 1 . 1 173 173 ARG H H 1 9.443 0.000 . . . . . . . 196 R HN . 52730 1 532 . 1 . 1 173 173 ARG CA C 13 55.927 0.032 . . . . . . . 196 R CA . 52730 1 533 . 1 . 1 173 173 ARG CB C 13 29.325 0.000 . . . . . . . 196 R CB . 52730 1 534 . 1 . 1 173 173 ARG N N 15 123.435 0.000 . . . . . . . 196 R N . 52730 1 535 . 1 . 1 174 174 ALA H H 1 7.003 0.000 . . . . . . . 197 A HN . 52730 1 536 . 1 . 1 174 174 ALA CA C 13 53.655 0.000 . . . . . . . 197 A CA . 52730 1 537 . 1 . 1 174 174 ALA N N 15 133.684 0.000 . . . . . . . 197 A N . 52730 1 stop_ save_