################################### # 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 52605 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Backbone-assignment_Loqs-PD_Nterm _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' . . . 52605 1 2 '3D HNCACB' . . . 52605 1 3 '3D CBCACONH' . . . 52605 1 4 '3D HNCO' . . . 52605 1 5 '3D HNCACO' . . . 52605 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 . . 52605 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 1 1 MET H H 1 8.473 0.000 . 1 . . . . . 1 M HN . 52605 1 2 . 1 . 1 1 1 MET C C 13 173.477 0.000 . 1 . . . . . 1 M C . 52605 1 3 . 1 . 1 1 1 MET CA C 13 55.572 0.103 . 1 . . . . . 1 M CA . 52605 1 4 . 1 . 1 1 1 MET CB C 13 32.275 0.000 . 1 . . . . . 1 M CB . 52605 1 5 . 1 . 1 1 1 MET N N 15 117.727 0.027 . 1 . . . . . 1 M N . 52605 1 6 . 1 . 1 2 2 ASP H H 1 8.023 0.002 . 1 . . . . . 2 D HN . 52605 1 7 . 1 . 1 2 2 ASP C C 13 173.583 0.000 . 1 . . . . . 2 D C . 52605 1 8 . 1 . 1 2 2 ASP CA C 13 54.769 0.065 . 1 . . . . . 2 D CA . 52605 1 9 . 1 . 1 2 2 ASP CB C 13 41.066 0.033 . 1 . . . . . 2 D CB . 52605 1 10 . 1 . 1 2 2 ASP N N 15 120.443 0.043 . 1 . . . . . 2 D N . 52605 1 11 . 1 . 1 3 3 GLN H H 1 8.157 0.001 . 1 . . . . . 3 Q HN . 52605 1 12 . 1 . 1 3 3 GLN C C 13 173.487 0.000 . 1 . . . . . 3 Q C . 52605 1 13 . 1 . 1 3 3 GLN CA C 13 56.119 0.000 . 1 . . . . . 3 Q CA . 52605 1 14 . 1 . 1 3 3 GLN CB C 13 29.481 0.000 . 1 . . . . . 3 Q CB . 52605 1 15 . 1 . 1 3 3 GLN N N 15 119.574 0.020 . 1 . . . . . 3 Q N . 52605 1 16 . 1 . 1 4 4 GLU H H 1 8.336 0.000 . 1 . . . . . 4 E HN . 52605 1 17 . 1 . 1 4 4 GLU C C 13 173.562 0.000 . 1 . . . . . 4 E C . 52605 1 18 . 1 . 1 4 4 GLU CA C 13 57.083 0.058 . 1 . . . . . 4 E CA . 52605 1 19 . 1 . 1 4 4 GLU CB C 13 30.090 0.023 . 1 . . . . . 4 E CB . 52605 1 20 . 1 . 1 4 4 GLU N N 15 121.223 0.020 . 1 . . . . . 4 E N . 52605 1 21 . 1 . 1 5 5 ASN H H 1 8.232 0.001 . 1 . . . . . 5 N HN . 52605 1 22 . 1 . 1 5 5 ASN C C 13 172.114 0.000 . 1 . . . . . 5 N C . 52605 1 23 . 1 . 1 5 5 ASN CA C 13 53.227 0.103 . 1 . . . . . 5 N CA . 52605 1 24 . 1 . 1 5 5 ASN CB C 13 38.872 0.025 . 1 . . . . . 5 N CB . 52605 1 25 . 1 . 1 5 5 ASN N N 15 118.647 0.021 . 1 . . . . . 5 N N . 52605 1 26 . 1 . 1 6 6 PHE H H 1 8.047 0.001 . 1 . . . . . 6 F HN . 52605 1 27 . 1 . 1 6 6 PHE C C 13 172.955 0.000 . 1 . . . . . 6 F C . 52605 1 28 . 1 . 1 6 6 PHE CA C 13 57.979 0.000 . 1 . . . . . 6 F CA . 52605 1 29 . 1 . 1 6 6 PHE CB C 13 39.327 0.000 . 1 . . . . . 6 F CB . 52605 1 30 . 1 . 1 6 6 PHE N N 15 120.476 0.011 . 1 . . . . . 6 F N . 52605 1 31 . 1 . 1 7 7 HIS H H 1 8.261 0.005 . 1 . . . . . 7 H HN . 52605 1 32 . 1 . 1 7 7 HIS C C 13 172.306 0.000 . 1 . . . . . 7 H C . 52605 1 33 . 1 . 1 7 7 HIS CA C 13 55.735 0.040 . 1 . . . . . 7 H CA . 52605 1 34 . 1 . 1 7 7 HIS CB C 13 29.613 0.017 . 1 . . . . . 7 H CB . 52605 1 35 . 1 . 1 7 7 HIS N N 15 120.912 0.049 . 1 . . . . . 7 H N . 52605 1 36 . 1 . 1 8 8 GLY H H 1 7.796 0.004 . 1 . . . . . 8 G HN . 52605 1 37 . 1 . 1 8 8 GLY C C 13 171.272 0.017 . 1 . . . . . 8 G C . 52605 1 38 . 1 . 1 8 8 GLY CA C 13 45.484 0.035 . 1 . . . . . 8 G CA . 52605 1 39 . 1 . 1 8 8 GLY N N 15 109.326 0.027 . 1 . . . . . 8 G N . 52605 1 40 . 1 . 1 9 9 SER H H 1 8.163 0.001 . 1 . . . . . 9 S HN . 52605 1 41 . 1 . 1 9 9 SER C C 13 171.843 0.000 . 1 . . . . . 9 S C . 52605 1 42 . 1 . 1 9 9 SER CA C 13 58.288 0.015 . 1 . . . . . 9 S CA . 52605 1 43 . 1 . 1 9 9 SER CB C 13 63.995 0.048 . 1 . . . . . 9 S CB . 52605 1 44 . 1 . 1 9 9 SER N N 15 115.390 0.022 . 1 . . . . . 9 S N . 52605 1 45 . 1 . 1 10 10 SER H H 1 8.295 0.001 . 1 . . . . . 10 S HN . 52605 1 46 . 1 . 1 10 10 SER C C 13 171.346 0.000 . 1 . . . . . 10 S C . 52605 1 47 . 1 . 1 10 10 SER CA C 13 58.249 0.009 . 1 . . . . . 10 S CA . 52605 1 48 . 1 . 1 10 10 SER CB C 13 63.905 0.039 . 1 . . . . . 10 S CB . 52605 1 49 . 1 . 1 10 10 SER N N 15 117.724 0.027 . 1 . . . . . 10 S N . 52605 1 50 . 1 . 1 11 11 LEU H H 1 8.149 0.001 . 1 . . . . . 11 L HN . 52605 1 51 . 1 . 1 11 11 LEU C C 13 172.581 0.000 . 1 . . . . . 11 L C . 52605 1 52 . 1 . 1 11 11 LEU CA C 13 53.593 0.000 . 1 . . . . . 11 L CA . 52605 1 53 . 1 . 1 11 11 LEU CB C 13 41.661 0.000 . 1 . . . . . 11 L CB . 52605 1 54 . 1 . 1 11 11 LEU N N 15 124.776 0.025 . 1 . . . . . 11 L N . 52605 1 55 . 1 . 1 12 12 PRO CA C 13 63.494 0.045 . 1 . . . . . 12 P CA . 52605 1 56 . 1 . 1 12 12 PRO CB C 13 32.050 0.000 . 1 . . . . . 12 P CB . 52605 1 57 . 1 . 1 13 13 GLN H H 1 8.382 0.001 . 1 . . . . . 13 Q HN . 52605 1 58 . 1 . 1 13 13 GLN CA C 13 56.535 0.070 . 1 . . . . . 13 Q CA . 52605 1 59 . 1 . 1 13 13 GLN CB C 13 29.362 0.020 . 1 . . . . . 13 Q CB . 52605 1 60 . 1 . 1 13 13 GLN N N 15 120.114 0.015 . 1 . . . . . 13 Q N . 52605 1 61 . 1 . 1 14 14 GLN H H 1 8.362 0.000 . 1 . . . . . 14 Q HN . 52605 1 62 . 1 . 1 14 14 GLN CB C 13 29.135 0.007 . 1 . . . . . 14 Q CB . 52605 1 63 . 1 . 1 14 14 GLN N N 15 120.610 0.011 . 1 . . . . . 14 Q N . 52605 1 64 . 1 . 1 15 15 LEU H H 1 8.106 0.000 . 1 . . . . . 15 L HN . 52605 1 65 . 1 . 1 15 15 LEU CA C 13 55.479 0.097 . 1 . . . . . 15 L CA . 52605 1 66 . 1 . 1 15 15 LEU CB C 13 42.237 0.033 . 1 . . . . . 15 L CB . 52605 1 67 . 1 . 1 15 15 LEU N N 15 122.365 0.008 . 1 . . . . . 15 L N . 52605 1 68 . 1 . 1 16 16 GLN H H 1 8.175 0.001 . 1 . . . . . 16 Q HN . 52605 1 69 . 1 . 1 16 16 GLN CA C 13 56.224 0.050 . 1 . . . . . 16 Q CA . 52605 1 70 . 1 . 1 16 16 GLN CB C 13 29.388 0.028 . 1 . . . . . 16 Q CB . 52605 1 71 . 1 . 1 16 16 GLN N N 15 119.945 0.017 . 1 . . . . . 16 Q N . 52605 1 72 . 1 . 1 17 17 ASN H H 1 8.276 0.002 . 1 . . . . . 17 N HN . 52605 1 73 . 1 . 1 17 17 ASN CA C 13 53.377 0.056 . 1 . . . . . 17 N CA . 52605 1 74 . 1 . 1 17 17 ASN CB C 13 38.633 0.089 . 1 . . . . . 17 N CB . 52605 1 75 . 1 . 1 17 17 ASN N N 15 118.827 0.023 . 1 . . . . . 17 N N . 52605 1 76 . 1 . 1 18 18 LEU H H 1 7.990 0.004 . 1 . . . . . 18 L HN . 52605 1 77 . 1 . 1 18 18 LEU CA C 13 55.415 0.025 . 1 . . . . . 18 L CA . 52605 1 78 . 1 . 1 18 18 LEU CB C 13 42.330 0.043 . 1 . . . . . 18 L CB . 52605 1 79 . 1 . 1 18 18 LEU N N 15 121.673 0.027 . 1 . . . . . 18 L N . 52605 1 80 . 1 . 1 19 19 HIS H H 1 8.284 0.003 . 1 . . . . . 19 H HN . 52605 1 81 . 1 . 1 19 19 HIS CA C 13 55.759 0.054 . 1 . . . . . 19 H CA . 52605 1 82 . 1 . 1 19 19 HIS CB C 13 29.634 0.028 . 1 . . . . . 19 H CB . 52605 1 83 . 1 . 1 19 19 HIS N N 15 119.092 0.044 . 1 . . . . . 19 H N . 52605 1 84 . 1 . 1 20 20 ILE H H 1 7.868 0.003 . 1 . . . . . 20 I HN . 52605 1 85 . 1 . 1 20 20 ILE CA C 13 60.886 0.025 . 1 . . . . . 20 I CA . 52605 1 86 . 1 . 1 20 20 ILE CB C 13 38.775 0.049 . 1 . . . . . 20 I CB . 52605 1 87 . 1 . 1 20 20 ILE N N 15 121.723 0.005 . 1 . . . . . 20 I N . 52605 1 88 . 1 . 1 21 21 GLN H H 1 8.376 0.002 . 1 . . . . . 21 Q HN . 52605 1 89 . 1 . 1 21 21 GLN CA C 13 53.655 0.000 . 1 . . . . . 21 Q CA . 52605 1 90 . 1 . 1 21 21 GLN CB C 13 28.964 0.000 . 1 . . . . . 21 Q CB . 52605 1 91 . 1 . 1 21 21 GLN N N 15 125.700 0.006 . 1 . . . . . 21 Q N . 52605 1 92 . 1 . 1 22 22 PRO CA C 13 63.287 0.047 . 1 . . . . . 22 P CA . 52605 1 93 . 1 . 1 22 22 PRO CB C 13 32.178 0.002 . 1 . . . . . 22 P CB . 52605 1 94 . 1 . 1 23 23 GLN H H 1 8.434 0.001 . 1 . . . . . 23 Q HN . 52605 1 95 . 1 . 1 23 23 GLN CA C 13 55.962 0.046 . 1 . . . . . 23 Q CA . 52605 1 96 . 1 . 1 23 23 GLN CB C 13 29.464 0.049 . 1 . . . . . 23 Q CB . 52605 1 97 . 1 . 1 23 23 GLN N N 15 120.425 0.014 . 1 . . . . . 23 Q N . 52605 1 98 . 1 . 1 24 24 GLN H H 1 8.326 0.005 . 1 . . . . . 24 Q HN . 52605 1 99 . 1 . 1 24 24 GLN CA C 13 55.718 0.090 . 1 . . . . . 24 Q CA . 52605 1 100 . 1 . 1 24 24 GLN CB C 13 29.684 0.010 . 1 . . . . . 24 Q CB . 52605 1 101 . 1 . 1 24 24 GLN N N 15 121.574 0.063 . 1 . . . . . 24 Q N . 52605 1 102 . 1 . 1 25 25 ALA H H 1 8.309 0.002 . 1 . . . . . 25 A HN . 52605 1 103 . 1 . 1 25 25 ALA CA C 13 52.426 0.045 . 1 . . . . . 25 A CA . 52605 1 104 . 1 . 1 25 25 ALA CB C 13 19.410 0.038 . 1 . . . . . 25 A CB . 52605 1 105 . 1 . 1 25 25 ALA N N 15 125.658 0.018 . 1 . . . . . 25 A N . 52605 1 106 . 1 . 1 26 26 SER H H 1 8.240 0.002 . 1 . . . . . 26 S HN . 52605 1 107 . 1 . 1 26 26 SER CA C 13 56.238 0.000 . 1 . . . . . 26 S CA . 52605 1 108 . 1 . 1 26 26 SER CB C 13 63.550 0.000 . 1 . . . . . 26 S CB . 52605 1 109 . 1 . 1 26 26 SER N N 15 116.487 0.005 . 1 . . . . . 26 S N . 52605 1 110 . 1 . 1 27 27 PRO CA C 13 63.174 0.000 . 1 . . . . . 27 P CA . 52605 1 111 . 1 . 1 27 27 PRO CB C 13 32.078 0.000 . 1 . . . . . 27 P CB . 52605 1 112 . 1 . 1 28 28 ASN H H 1 8.323 0.001 . 1 . . . . . 28 N HN . 52605 1 113 . 1 . 1 28 28 ASN CA C 13 51.477 0.000 . 1 . . . . . 28 N CA . 52605 1 114 . 1 . 1 28 28 ASN CB C 13 38.783 0.000 . 1 . . . . . 28 N CB . 52605 1 115 . 1 . 1 28 28 ASN N N 15 119.733 0.009 . 1 . . . . . 28 N N . 52605 1 116 . 1 . 1 29 29 PRO CA C 13 63.433 0.090 . 1 . . . . . 29 P CA . 52605 1 117 . 1 . 1 29 29 PRO CB C 13 32.156 0.000 . 1 . . . . . 29 P CB . 52605 1 118 . 1 . 1 30 30 VAL H H 1 8.072 0.002 . 1 . . . . . 30 V HN . 52605 1 119 . 1 . 1 30 30 VAL CA C 13 62.561 0.007 . 1 . . . . . 30 V CA . 52605 1 120 . 1 . 1 30 30 VAL CB C 13 32.620 0.003 . 1 . . . . . 30 V CB . 52605 1 121 . 1 . 1 30 30 VAL N N 15 119.936 0.010 . 1 . . . . . 30 V N . 52605 1 122 . 1 . 1 31 31 GLN H H 1 8.325 0.001 . 1 . . . . . 31 Q HN . 52605 1 123 . 1 . 1 31 31 GLN CA C 13 55.721 0.059 . 1 . . . . . 31 Q CA . 52605 1 124 . 1 . 1 31 31 GLN CB C 13 29.546 0.020 . 1 . . . . . 31 Q CB . 52605 1 125 . 1 . 1 31 31 GLN N N 15 123.928 0.006 . 1 . . . . . 31 Q N . 52605 1 126 . 1 . 1 32 32 THR H H 1 8.112 0.001 . 1 . . . . . 32 T HN . 52605 1 127 . 1 . 1 32 32 THR CA C 13 62.109 0.069 . 1 . . . . . 32 T CA . 52605 1 128 . 1 . 1 32 32 THR CB C 13 69.857 0.002 . 1 . . . . . 32 T CB . 52605 1 129 . 1 . 1 32 32 THR N N 15 115.297 0.002 . 1 . . . . . 32 T N . 52605 1 130 . 1 . 1 33 33 GLY H H 1 8.285 0.002 . 1 . . . . . 33 G HN . 52605 1 131 . 1 . 1 33 33 GLY CA C 13 45.223 0.027 . 1 . . . . . 33 G CA . 52605 1 132 . 1 . 1 33 33 GLY N N 15 110.740 0.018 . 1 . . . . . 33 G N . 52605 1 133 . 1 . 1 34 34 PHE H H 1 7.979 0.002 . 1 . . . . . 34 F HN . 52605 1 134 . 1 . 1 34 34 PHE CA C 13 57.600 0.010 . 1 . . . . . 34 F CA . 52605 1 135 . 1 . 1 34 34 PHE CB C 13 39.807 0.055 . 1 . . . . . 34 F CB . 52605 1 136 . 1 . 1 34 34 PHE N N 15 119.817 0.017 . 1 . . . . . 34 F N . 52605 1 137 . 1 . 1 35 35 ALA H H 1 8.112 0.003 . 1 . . . . . 35 A HN . 52605 1 138 . 1 . 1 35 35 ALA CA C 13 50.381 0.000 . 1 . . . . . 35 A CA . 52605 1 139 . 1 . 1 35 35 ALA CB C 13 18.437 0.000 . 1 . . . . . 35 A CB . 52605 1 140 . 1 . 1 35 35 ALA N N 15 127.163 0.012 . 1 . . . . . 35 A N . 52605 1 141 . 1 . 1 36 36 PRO CA C 13 63.033 0.002 . 1 . . . . . 36 P CA . 52605 1 142 . 1 . 1 36 36 PRO CB C 13 32.137 0.022 . 1 . . . . . 36 P CB . 52605 1 143 . 1 . 1 37 37 ARG H H 1 8.311 0.002 . 1 . . . . . 37 R HN . 52605 1 144 . 1 . 1 37 37 ARG CA C 13 56.001 0.028 . 1 . . . . . 37 R CA . 52605 1 145 . 1 . 1 37 37 ARG CB C 13 30.855 0.026 . 1 . . . . . 37 R CB . 52605 1 146 . 1 . 1 37 37 ARG N N 15 121.045 0.031 . 1 . . . . . 37 R N . 52605 1 147 . 1 . 1 38 38 ARG H H 1 8.232 0.001 . 1 . . . . . 38 R HN . 52605 1 148 . 1 . 1 38 38 ARG N N 15 122.144 0.012 . 1 . . . . . 38 R N . 52605 1 149 . 1 . 1 39 39 HIS CA C 13 55.821 0.000 . 1 . . . . . 39 H CA . 52605 1 150 . 1 . 1 39 39 HIS CB C 13 30.658 0.042 . 1 . . . . . 39 H CB . 52605 1 151 . 1 . 1 40 40 TYR H H 1 8.112 0.002 . 1 . . . . . 40 Y HN . 52605 1 152 . 1 . 1 40 40 TYR CA C 13 57.824 0.072 . 1 . . . . . 40 Y CA . 52605 1 153 . 1 . 1 40 40 TYR CB C 13 39.047 0.035 . 1 . . . . . 40 Y CB . 52605 1 154 . 1 . 1 40 40 TYR N N 15 121.640 0.049 . 1 . . . . . 40 Y N . 52605 1 155 . 1 . 1 41 41 ASN H H 1 8.403 0.002 . 1 . . . . . 41 N HN . 52605 1 156 . 1 . 1 41 41 ASN CA C 13 53.361 0.000 . 1 . . . . . 41 N CA . 52605 1 157 . 1 . 1 41 41 ASN CB C 13 39.104 0.000 . 1 . . . . . 41 N CB . 52605 1 158 . 1 . 1 41 41 ASN N N 15 120.309 0.044 . 1 . . . . . 41 N N . 52605 1 159 . 1 . 1 42 42 ASN H H 1 8.270 0.005 . 1 . . . . . 42 N HN . 52605 1 160 . 1 . 1 42 42 ASN CA C 13 53.404 0.001 . 1 . . . . . 42 N CA . 52605 1 161 . 1 . 1 42 42 ASN CB C 13 38.692 0.065 . 1 . . . . . 42 N CB . 52605 1 162 . 1 . 1 42 42 ASN N N 15 118.843 0.031 . 1 . . . . . 42 N N . 52605 1 163 . 1 . 1 43 43 LEU H H 1 8.085 0.001 . 1 . . . . . 43 L HN . 52605 1 164 . 1 . 1 43 43 LEU CA C 13 55.474 0.085 . 1 . . . . . 43 L CA . 52605 1 165 . 1 . 1 43 43 LEU CB C 13 42.197 0.044 . 1 . . . . . 43 L CB . 52605 1 166 . 1 . 1 43 43 LEU N N 15 121.747 0.020 . 1 . . . . . 43 L N . 52605 1 167 . 1 . 1 44 44 VAL H H 1 7.873 0.000 . 1 . . . . . 44 V HN . 52605 1 168 . 1 . 1 44 44 VAL CA C 13 62.672 0.013 . 1 . . . . . 44 V CA . 52605 1 169 . 1 . 1 44 44 VAL CB C 13 32.705 0.017 . 1 . . . . . 44 V CB . 52605 1 170 . 1 . 1 44 44 VAL N N 15 119.954 0.008 . 1 . . . . . 44 V N . 52605 1 171 . 1 . 1 45 45 GLY H H 1 8.310 0.001 . 1 . . . . . 45 G HN . 52605 1 172 . 1 . 1 45 45 GLY CA C 13 45.349 0.000 . 1 . . . . . 45 G CA . 52605 1 173 . 1 . 1 45 45 GLY N N 15 111.946 0.016 . 1 . . . . . 45 G N . 52605 1 174 . 1 . 1 46 46 LEU H H 1 8.157 0.002 . 1 . . . . . 46 L HN . 52605 1 175 . 1 . 1 46 46 LEU CA C 13 55.362 0.042 . 1 . . . . . 46 L CA . 52605 1 176 . 1 . 1 46 46 LEU CB C 13 42.614 0.022 . 1 . . . . . 46 L CB . 52605 1 177 . 1 . 1 46 46 LEU N N 15 121.731 0.013 . 1 . . . . . 46 L N . 52605 1 178 . 1 . 1 47 47 GLY H H 1 8.421 0.001 . 1 . . . . . 47 G HN . 52605 1 179 . 1 . 1 47 47 GLY CA C 13 45.460 0.033 . 1 . . . . . 47 G CA . 52605 1 180 . 1 . 1 47 47 GLY N N 15 109.428 0.054 . 1 . . . . . 47 G N . 52605 1 181 . 1 . 1 48 48 ASN H H 1 8.248 0.002 . 1 . . . . . 48 N HN . 52605 1 182 . 1 . 1 48 48 ASN CA C 13 53.222 0.074 . 1 . . . . . 48 N CA . 52605 1 183 . 1 . 1 48 48 ASN CB C 13 38.997 0.032 . 1 . . . . . 48 N CB . 52605 1 184 . 1 . 1 48 48 ASN N N 15 118.468 0.022 . 1 . . . . . 48 N N . 52605 1 185 . 1 . 1 49 49 GLY H H 1 8.390 0.003 . 1 . . . . . 49 G HN . 52605 1 186 . 1 . 1 49 49 GLY CA C 13 45.587 0.020 . 1 . . . . . 49 G CA . 52605 1 187 . 1 . 1 49 49 GLY N N 15 109.136 0.013 . 1 . . . . . 49 G N . 52605 1 188 . 1 . 1 50 50 ASN H H 1 8.184 0.002 . 1 . . . . . 50 N HN . 52605 1 189 . 1 . 1 50 50 ASN CA C 13 53.223 0.099 . 1 . . . . . 50 N CA . 52605 1 190 . 1 . 1 50 50 ASN CB C 13 39.058 0.023 . 1 . . . . . 50 N CB . 52605 1 191 . 1 . 1 50 50 ASN N N 15 118.447 0.011 . 1 . . . . . 50 N N . 52605 1 192 . 1 . 1 51 51 ALA H H 1 8.161 0.001 . 1 . . . . . 51 A HN . 52605 1 193 . 1 . 1 51 51 ALA CA C 13 52.760 0.099 . 1 . . . . . 51 A CA . 52605 1 194 . 1 . 1 51 51 ALA CB C 13 19.294 0.011 . 1 . . . . . 51 A CB . 52605 1 195 . 1 . 1 51 51 ALA N N 15 124.136 0.006 . 1 . . . . . 51 A N . 52605 1 196 . 1 . 1 52 52 VAL H H 1 8.050 0.003 . 1 . . . . . 52 V HN . 52605 1 197 . 1 . 1 52 52 VAL CA C 13 62.273 0.055 . 1 . . . . . 52 V CA . 52605 1 198 . 1 . 1 52 52 VAL CB C 13 32.928 0.074 . 1 . . . . . 52 V CB . 52605 1 199 . 1 . 1 52 52 VAL N N 15 118.938 0.028 . 1 . . . . . 52 V N . 52605 1 200 . 1 . 1 53 53 SER H H 1 8.275 0.001 . 1 . . . . . 53 S HN . 52605 1 201 . 1 . 1 53 53 SER CA C 13 58.407 0.045 . 1 . . . . . 53 S CA . 52605 1 202 . 1 . 1 53 53 SER CB C 13 63.975 0.066 . 1 . . . . . 53 S CB . 52605 1 203 . 1 . 1 53 53 SER N N 15 119.398 0.025 . 1 . . . . . 53 S N . 52605 1 204 . 1 . 1 54 54 GLY H H 1 8.324 0.004 . 1 . . . . . 54 G HN . 52605 1 205 . 1 . 1 54 54 GLY CA C 13 45.125 0.048 . 1 . . . . . 54 G CA . 52605 1 206 . 1 . 1 54 54 GLY N N 15 110.882 0.052 . 1 . . . . . 54 G N . 52605 1 207 . 1 . 1 55 55 SER H H 1 8.099 0.002 . 1 . . . . . 55 S HN . 52605 1 208 . 1 . 1 55 55 SER CA C 13 56.386 0.000 . 1 . . . . . 55 S CA . 52605 1 209 . 1 . 1 55 55 SER CB C 13 63.497 0.000 . 1 . . . . . 55 S CB . 52605 1 210 . 1 . 1 55 55 SER N N 15 116.685 0.018 . 1 . . . . . 55 S N . 52605 1 211 . 1 . 1 56 56 PRO CA C 13 63.320 0.063 . 1 . . . . . 56 P CA . 52605 1 212 . 1 . 1 56 56 PRO CB C 13 32.099 0.000 . 1 . . . . . 56 P CB . 52605 1 213 . 1 . 1 57 57 VAL H H 1 8.114 0.002 . 1 . . . . . 57 V HN . 52605 1 214 . 1 . 1 57 57 VAL CA C 13 62.386 0.044 . 1 . . . . . 57 V CA . 52605 1 215 . 1 . 1 57 57 VAL CB C 13 32.830 0.000 . 1 . . . . . 57 V CB . 52605 1 216 . 1 . 1 57 57 VAL N N 15 120.651 0.006 . 1 . . . . . 57 V N . 52605 1 217 . 1 . 1 58 58 LYS H H 1 8.335 0.002 . 1 . . . . . 58 K HN . 52605 1 218 . 1 . 1 58 58 LYS CA C 13 56.491 0.046 . 1 . . . . . 58 K CA . 52605 1 219 . 1 . 1 58 58 LYS CB C 13 33.022 0.051 . 1 . . . . . 58 K CB . 52605 1 220 . 1 . 1 58 58 LYS N N 15 125.653 0.045 . 1 . . . . . 58 K N . 52605 1 221 . 1 . 1 59 59 GLY H H 1 8.337 0.001 . 1 . . . . . 59 G HN . 52605 1 222 . 1 . 1 59 59 GLY CA C 13 44.975 0.036 . 1 . . . . . 59 G CA . 52605 1 223 . 1 . 1 59 59 GLY N N 15 110.687 0.013 . 1 . . . . . 59 G N . 52605 1 224 . 1 . 1 60 60 ALA H H 1 8.028 0.001 . 1 . . . . . 60 A HN . 52605 1 225 . 1 . 1 60 60 ALA CA C 13 50.621 0.000 . 1 . . . . . 60 A CA . 52605 1 226 . 1 . 1 60 60 ALA CB C 13 18.278 0.000 . 1 . . . . . 60 A CB . 52605 1 227 . 1 . 1 60 60 ALA N N 15 124.718 0.010 . 1 . . . . . 60 A N . 52605 1 228 . 1 . 1 61 61 PRO CA C 13 63.094 0.054 . 1 . . . . . 61 P CA . 52605 1 229 . 1 . 1 61 61 PRO CB C 13 32.013 0.035 . 1 . . . . . 61 P CB . 52605 1 230 . 1 . 1 62 62 LEU H H 1 8.309 0.000 . 1 . . . . . 62 L HN . 52605 1 231 . 1 . 1 62 62 LEU CA C 13 55.579 0.074 . 1 . . . . . 62 L CA . 52605 1 232 . 1 . 1 62 62 LEU CB C 13 42.445 0.024 . 1 . . . . . 62 L CB . 52605 1 233 . 1 . 1 62 62 LEU N N 15 122.310 0.000 . 1 . . . . . 62 L N . 52605 1 234 . 1 . 1 63 63 GLY H H 1 8.357 0.002 . 1 . . . . . 63 G HN . 52605 1 235 . 1 . 1 63 63 GLY CA C 13 45.371 0.045 . 1 . . . . . 63 G CA . 52605 1 236 . 1 . 1 63 63 GLY N N 15 109.132 0.012 . 1 . . . . . 63 G N . 52605 1 237 . 1 . 1 64 64 GLN H H 1 8.117 0.001 . 1 . . . . . 64 Q HN . 52605 1 238 . 1 . 1 64 64 GLN CA C 13 55.837 0.058 . 1 . . . . . 64 Q CA . 52605 1 239 . 1 . 1 64 64 GLN CB C 13 29.619 0.034 . 1 . . . . . 64 Q CB . 52605 1 240 . 1 . 1 64 64 GLN N N 15 119.560 0.010 . 1 . . . . . 64 Q N . 52605 1 241 . 1 . 1 65 65 ARG H H 1 8.283 0.002 . 1 . . . . . 65 R HN . 52605 1 242 . 1 . 1 65 65 ARG CA C 13 56.232 0.000 . 1 . . . . . 65 R CA . 52605 1 243 . 1 . 1 65 65 ARG CB C 13 30.887 0.000 . 1 . . . . . 65 R CB . 52605 1 244 . 1 . 1 65 65 ARG N N 15 121.810 0.016 . 1 . . . . . 65 R N . 52605 1 245 . 1 . 1 66 66 HIS CA C 13 55.989 0.000 . 1 . . . . . 66 H CA . 52605 1 246 . 1 . 1 66 66 HIS CB C 13 30.535 0.014 . 1 . . . . . 66 H CB . 52605 1 247 . 1 . 1 67 67 VAL H H 1 7.983 0.002 . 1 . . . . . 67 V HN . 52605 1 248 . 1 . 1 67 67 VAL CA C 13 62.370 0.000 . 1 . . . . . 67 V CA . 52605 1 249 . 1 . 1 67 67 VAL CB C 13 32.962 0.000 . 1 . . . . . 67 V CB . 52605 1 250 . 1 . 1 67 67 VAL N N 15 121.965 0.012 . 1 . . . . . 67 V N . 52605 1 251 . 1 . 1 68 68 LYS H H 1 8.336 0.000 . 1 . . . . . 68 K HN . 52605 1 252 . 1 . 1 68 68 LYS CA C 13 56.224 0.002 . 1 . . . . . 68 K CA . 52605 1 253 . 1 . 1 68 68 LYS CB C 13 33.044 0.035 . 1 . . . . . 68 K CB . 52605 1 254 . 1 . 1 68 68 LYS N N 15 125.430 0.000 . 1 . . . . . 68 K N . 52605 1 255 . 1 . 1 69 69 LEU H H 1 8.203 0.001 . 1 . . . . . 69 L HN . 52605 1 256 . 1 . 1 69 69 LEU CA C 13 55.092 0.061 . 1 . . . . . 69 L CA . 52605 1 257 . 1 . 1 69 69 LEU CB C 13 42.624 0.019 . 1 . . . . . 69 L CB . 52605 1 258 . 1 . 1 69 69 LEU N N 15 124.228 0.014 . 1 . . . . . 69 L N . 52605 1 259 . 1 . 1 70 70 LYS H H 1 8.239 0.002 . 1 . . . . . 70 K HN . 52605 1 260 . 1 . 1 70 70 LYS CA C 13 56.319 0.032 . 1 . . . . . 70 K CA . 52605 1 261 . 1 . 1 70 70 LYS CB C 13 33.151 0.026 . 1 . . . . . 70 K CB . 52605 1 262 . 1 . 1 70 70 LYS N N 15 122.777 0.033 . 1 . . . . . 70 K N . 52605 1 263 . 1 . 1 71 71 LYS H H 1 8.281 0.000 . 1 . . . . . 71 K HN . 52605 1 264 . 1 . 1 71 71 LYS CA C 13 56.378 0.031 . 1 . . . . . 71 K CA . 52605 1 265 . 1 . 1 71 71 LYS CB C 13 33.084 0.033 . 1 . . . . . 71 K CB . 52605 1 266 . 1 . 1 71 71 LYS N N 15 123.103 0.010 . 1 . . . . . 71 K N . 52605 1 267 . 1 . 1 72 72 GLU H H 1 8.390 0.001 . 1 . . . . . 72 E HN . 52605 1 268 . 1 . 1 72 72 GLU CA C 13 56.512 0.013 . 1 . . . . . 72 E CA . 52605 1 269 . 1 . 1 72 72 GLU CB C 13 30.588 0.003 . 1 . . . . . 72 E CB . 52605 1 270 . 1 . 1 72 72 GLU N N 15 122.480 0.010 . 1 . . . . . 72 E N . 52605 1 271 . 1 . 1 73 73 LYS H H 1 8.322 0.001 . 1 . . . . . 73 K HN . 52605 1 272 . 1 . 1 73 73 LYS CA C 13 56.273 0.000 . 1 . . . . . 73 K CA . 52605 1 273 . 1 . 1 73 73 LYS CB C 13 33.037 0.051 . 1 . . . . . 73 K CB . 52605 1 274 . 1 . 1 73 73 LYS N N 15 122.523 0.004 . 1 . . . . . 73 K N . 52605 1 275 . 1 . 1 74 74 ILE H H 1 8.111 0.005 . 1 . . . . . 74 I HN . 52605 1 276 . 1 . 1 74 74 ILE CA C 13 61.195 0.078 . 1 . . . . . 74 I CA . 52605 1 277 . 1 . 1 74 74 ILE CB C 13 38.796 0.052 . 1 . . . . . 74 I CB . 52605 1 278 . 1 . 1 74 74 ILE N N 15 122.438 0.022 . 1 . . . . . 74 I N . 52605 1 279 . 1 . 1 75 75 SER H H 1 8.317 0.000 . 1 . . . . . 75 S HN . 52605 1 280 . 1 . 1 75 75 SER CA C 13 58.294 0.007 . 1 . . . . . 75 S CA . 52605 1 281 . 1 . 1 75 75 SER CB C 13 63.920 0.033 . 1 . . . . . 75 S CB . 52605 1 282 . 1 . 1 75 75 SER N N 15 120.100 0.052 . 1 . . . . . 75 S N . 52605 1 283 . 1 . 1 76 76 ALA H H 1 8.278 0.001 . 1 . . . . . 76 A HN . 52605 1 284 . 1 . 1 76 76 ALA CA C 13 52.846 0.039 . 1 . . . . . 76 A CA . 52605 1 285 . 1 . 1 76 76 ALA CB C 13 19.246 0.089 . 1 . . . . . 76 A CB . 52605 1 286 . 1 . 1 76 76 ALA N N 15 125.999 0.025 . 1 . . . . . 76 A N . 52605 1 287 . 1 . 1 77 77 GLN H H 1 8.197 0.001 . 1 . . . . . 77 Q HN . 52605 1 288 . 1 . 1 77 77 GLN CA C 13 56.121 0.075 . 1 . . . . . 77 Q CA . 52605 1 289 . 1 . 1 77 77 GLN CB C 13 29.405 0.035 . 1 . . . . . 77 Q CB . 52605 1 290 . 1 . 1 77 77 GLN N N 15 119.183 0.012 . 1 . . . . . 77 Q N . 52605 1 291 . 1 . 1 78 78 VAL H H 1 7.981 0.002 . 1 . . . . . 78 V HN . 52605 1 292 . 1 . 1 78 78 VAL CA C 13 62.559 0.002 . 1 . . . . . 78 V CA . 52605 1 293 . 1 . 1 78 78 VAL CB C 13 32.818 0.032 . 1 . . . . . 78 V CB . 52605 1 294 . 1 . 1 78 78 VAL N N 15 120.991 0.010 . 1 . . . . . 78 V N . 52605 1 295 . 1 . 1 79 79 ALA H H 1 8.264 0.001 . 1 . . . . . 79 A HN . 52605 1 296 . 1 . 1 79 79 ALA CA C 13 52.875 0.050 . 1 . . . . . 79 A CA . 52605 1 297 . 1 . 1 79 79 ALA CB C 13 19.172 0.016 . 1 . . . . . 79 A CB . 52605 1 298 . 1 . 1 79 79 ALA N N 15 126.985 0.023 . 1 . . . . . 79 A N . 52605 1 299 . 1 . 1 80 80 GLN H H 1 8.197 0.004 . 1 . . . . . 80 Q HN . 52605 1 300 . 1 . 1 80 80 GLN CA C 13 55.928 0.088 . 1 . . . . . 80 Q CA . 52605 1 301 . 1 . 1 80 80 GLN CB C 13 29.455 0.007 . 1 . . . . . 80 Q CB . 52605 1 302 . 1 . 1 80 80 GLN N N 15 119.191 0.005 . 1 . . . . . 80 Q N . 52605 1 303 . 1 . 1 81 81 LEU H H 1 8.141 0.002 . 1 . . . . . 81 L HN . 52605 1 304 . 1 . 1 81 81 LEU CA C 13 55.309 0.106 . 1 . . . . . 81 L CA . 52605 1 305 . 1 . 1 81 81 LEU CB C 13 42.423 0.024 . 1 . . . . . 81 L CB . 52605 1 306 . 1 . 1 81 81 LEU N N 15 122.901 0.009 . 1 . . . . . 81 L N . 52605 1 307 . 1 . 1 82 82 SER H H 1 8.149 0.002 . 1 . . . . . 82 S HN . 52605 1 308 . 1 . 1 82 82 SER CA C 13 58.289 0.006 . 1 . . . . . 82 S CA . 52605 1 309 . 1 . 1 82 82 SER CB C 13 63.881 0.025 . 1 . . . . . 82 S CB . 52605 1 310 . 1 . 1 82 82 SER N N 15 116.205 0.011 . 1 . . . . . 82 S N . 52605 1 311 . 1 . 1 83 83 GLN H H 1 8.202 0.002 . 1 . . . . . 83 Q HN . 52605 1 312 . 1 . 1 83 83 GLN CA C 13 53.725 0.000 . 1 . . . . . 83 Q CA . 52605 1 313 . 1 . 1 83 83 GLN CB C 13 29.086 0.000 . 1 . . . . . 83 Q CB . 52605 1 314 . 1 . 1 83 83 GLN N N 15 122.388 0.017 . 1 . . . . . 83 Q N . 52605 1 315 . 1 . 1 84 84 PRO CA C 13 63.742 0.100 . 1 . . . . . 84 P CA . 52605 1 316 . 1 . 1 84 84 PRO CB C 13 32.056 0.017 . 1 . . . . . 84 P CB . 52605 1 317 . 1 . 1 85 85 GLY H H 1 8.460 0.000 . 1 . . . . . 85 G HN . 52605 1 318 . 1 . 1 85 85 GLY CA C 13 45.373 0.025 . 1 . . . . . 85 G CA . 52605 1 319 . 1 . 1 85 85 GLY N N 15 109.296 0.012 . 1 . . . . . 85 G N . 52605 1 320 . 1 . 1 86 86 GLN H H 1 8.008 0.001 . 1 . . . . . 86 Q HN . 52605 1 321 . 1 . 1 86 86 GLN CA C 13 55.814 0.052 . 1 . . . . . 86 Q CA . 52605 1 322 . 1 . 1 86 86 GLN CB C 13 29.583 0.025 . 1 . . . . . 86 Q CB . 52605 1 323 . 1 . 1 86 86 GLN N N 15 119.461 0.016 . 1 . . . . . 86 Q N . 52605 1 324 . 1 . 1 87 87 LEU H H 1 8.206 0.001 . 1 . . . . . 87 L HN . 52605 1 325 . 1 . 1 87 87 LEU CA C 13 55.316 0.000 . 1 . . . . . 87 L CA . 52605 1 326 . 1 . 1 87 87 LEU CB C 13 42.446 0.061 . 1 . . . . . 87 L CB . 52605 1 327 . 1 . 1 87 87 LEU N N 15 123.311 0.008 . 1 . . . . . 87 L N . 52605 1 328 . 1 . 1 88 88 GLN H H 1 8.351 0.001 . 1 . . . . . 88 Q HN . 52605 1 329 . 1 . 1 88 88 GLN CA C 13 55.432 0.000 . 1 . . . . . 88 Q CA . 52605 1 330 . 1 . 1 88 88 GLN CB C 13 29.423 0.003 . 1 . . . . . 88 Q CB . 52605 1 331 . 1 . 1 88 88 GLN N N 15 121.537 0.015 . 1 . . . . . 88 Q N . 52605 1 332 . 1 . 1 89 89 LEU H H 1 8.253 0.002 . 1 . . . . . 89 L HN . 52605 1 333 . 1 . 1 89 89 LEU CA C 13 55.350 0.102 . 1 . . . . . 89 L CA . 52605 1 334 . 1 . 1 89 89 LEU CB C 13 42.435 0.032 . 1 . . . . . 89 L CB . 52605 1 335 . 1 . 1 89 89 LEU N N 15 123.861 0.010 . 1 . . . . . 89 L N . 52605 1 336 . 1 . 1 90 90 SER H H 1 8.189 0.001 . 1 . . . . . 90 S HN . 52605 1 337 . 1 . 1 90 90 SER CA C 13 58.345 0.000 . 1 . . . . . 90 S CA . 52605 1 338 . 1 . 1 90 90 SER CB C 13 64.057 0.000 . 1 . . . . . 90 S CB . 52605 1 339 . 1 . 1 90 90 SER N N 15 115.636 0.017 . 1 . . . . . 90 S N . 52605 1 340 . 1 . 1 91 91 ASP H H 1 8.281 0.000 . 1 . . . . . 91 D HN . 52605 1 341 . 1 . 1 91 91 ASP CA C 13 54.469 0.003 . 1 . . . . . 91 D CA . 52605 1 342 . 1 . 1 91 91 ASP CB C 13 41.293 0.017 . 1 . . . . . 91 D CB . 52605 1 343 . 1 . 1 91 91 ASP N N 15 122.333 0.000 . 1 . . . . . 91 D N . 52605 1 344 . 1 . 1 92 92 VAL H H 1 7.908 0.002 . 1 . . . . . 92 V HN . 52605 1 345 . 1 . 1 92 92 VAL CA C 13 62.421 0.027 . 1 . . . . . 92 V CA . 52605 1 346 . 1 . 1 92 92 VAL CB C 13 32.635 0.015 . 1 . . . . . 92 V CB . 52605 1 347 . 1 . 1 92 92 VAL N N 15 118.658 0.005 . 1 . . . . . 92 V N . 52605 1 348 . 1 . 1 93 93 GLY H H 1 8.259 0.001 . 1 . . . . . 93 G HN . 52605 1 349 . 1 . 1 93 93 GLY CA C 13 45.113 0.040 . 1 . . . . . 93 G CA . 52605 1 350 . 1 . 1 93 93 GLY N N 15 111.439 0.006 . 1 . . . . . 93 G N . 52605 1 351 . 1 . 1 94 94 ASP H H 1 8.007 0.003 . 1 . . . . . 94 D HN . 52605 1 352 . 1 . 1 94 94 ASP CA C 13 52.025 0.000 . 1 . . . . . 94 D CA . 52605 1 353 . 1 . 1 94 94 ASP CB C 13 41.690 0.000 . 1 . . . . . 94 D CB . 52605 1 354 . 1 . 1 94 94 ASP N N 15 121.564 0.026 . 1 . . . . . 94 D N . 52605 1 355 . 1 . 1 95 95 PRO CA C 13 63.944 0.000 . 1 . . . . . 95 P CA . 52605 1 356 . 1 . 1 95 95 PRO CB C 13 32.123 0.017 . 1 . . . . . 95 P CB . 52605 1 357 . 1 . 1 96 96 ALA H H 1 8.360 0.001 . 1 . . . . . 96 A HN . 52605 1 358 . 1 . 1 96 96 ALA CA C 13 53.224 0.067 . 1 . . . . . 96 A CA . 52605 1 359 . 1 . 1 96 96 ALA CB C 13 18.778 0.018 . 1 . . . . . 96 A CB . 52605 1 360 . 1 . 1 96 96 ALA N N 15 121.897 0.005 . 1 . . . . . 96 A N . 52605 1 361 . 1 . 1 97 97 LEU H H 1 7.733 0.001 . 1 . . . . . 97 L HN . 52605 1 362 . 1 . 1 97 97 LEU CA C 13 55.060 0.075 . 1 . . . . . 97 L CA . 52605 1 363 . 1 . 1 97 97 LEU CB C 13 42.177 0.024 . 1 . . . . . 97 L CB . 52605 1 364 . 1 . 1 97 97 LEU N N 15 119.144 0.010 . 1 . . . . . 97 L N . 52605 1 365 . 1 . 1 98 98 ALA H H 1 7.878 0.001 . 1 . . . . . 98 A HN . 52605 1 366 . 1 . 1 98 98 ALA CA C 13 52.933 0.067 . 1 . . . . . 98 A CA . 52605 1 367 . 1 . 1 98 98 ALA CB C 13 19.191 0.023 . 1 . . . . . 98 A CB . 52605 1 368 . 1 . 1 98 98 ALA N N 15 123.682 0.003 . 1 . . . . . 98 A N . 52605 1 369 . 1 . 1 99 99 GLY H H 1 8.226 0.001 . 1 . . . . . 99 G HN . 52605 1 370 . 1 . 1 99 99 GLY CA C 13 45.487 0.051 . 1 . . . . . 99 G CA . 52605 1 371 . 1 . 1 99 99 GLY N N 15 107.644 0.010 . 1 . . . . . 99 G N . 52605 1 372 . 1 . 1 100 100 GLY H H 1 8.150 0.005 . 1 . . . . . 100 G HN . 52605 1 373 . 1 . 1 100 100 GLY CA C 13 45.362 0.020 . 1 . . . . . 100 G CA . 52605 1 374 . 1 . 1 100 100 GLY N N 15 108.470 0.007 . 1 . . . . . 100 G N . 52605 1 375 . 1 . 1 101 101 SER H H 1 8.245 0.004 . 1 . . . . . 101 S HN . 52605 1 376 . 1 . 1 101 101 SER CA C 13 58.700 0.004 . 1 . . . . . 101 S CA . 52605 1 377 . 1 . 1 101 101 SER CB C 13 64.007 0.050 . 1 . . . . . 101 S CB . 52605 1 378 . 1 . 1 101 101 SER N N 15 115.365 0.049 . 1 . . . . . 101 S N . 52605 1 379 . 1 . 1 102 102 GLY H H 1 8.411 0.001 . 1 . . . . . 102 G HN . 52605 1 380 . 1 . 1 102 102 GLY CA C 13 45.401 0.101 . 1 . . . . . 102 G CA . 52605 1 381 . 1 . 1 102 102 GLY N N 15 110.517 0.012 . 1 . . . . . 102 G N . 52605 1 382 . 1 . 1 103 103 LEU H H 1 8.041 0.000 . 1 . . . . . 103 L HN . 52605 1 383 . 1 . 1 103 103 LEU CA C 13 55.190 0.000 . 1 . . . . . 103 L CA . 52605 1 384 . 1 . 1 103 103 LEU CB C 13 42.268 0.030 . 1 . . . . . 103 L CB . 52605 1 385 . 1 . 1 103 103 LEU N N 15 121.505 0.004 . 1 . . . . . 103 L N . 52605 1 386 . 1 . 1 104 104 GLN H H 1 8.363 0.001 . 1 . . . . . 104 Q HN . 52605 1 387 . 1 . 1 104 104 GLN CA C 13 56.061 0.062 . 1 . . . . . 104 Q CA . 52605 1 388 . 1 . 1 104 104 GLN CB C 13 29.268 0.011 . 1 . . . . . 104 Q CB . 52605 1 389 . 1 . 1 104 104 GLN N N 15 120.710 0.038 . 1 . . . . . 104 Q N . 52605 1 390 . 1 . 1 105 105 GLY H H 1 8.320 0.001 . 1 . . . . . 105 G HN . 52605 1 391 . 1 . 1 105 105 GLY CA C 13 45.458 0.000 . 1 . . . . . 105 G CA . 52605 1 392 . 1 . 1 105 105 GLY N N 15 109.751 0.014 . 1 . . . . . 105 G N . 52605 1 393 . 1 . 1 106 106 GLY H H 1 8.162 0.000 . 1 . . . . . 106 G HN . 52605 1 394 . 1 . 1 106 106 GLY CA C 13 45.185 0.000 . 1 . . . . . 106 G CA . 52605 1 395 . 1 . 1 106 106 GLY N N 15 108.458 0.000 . 1 . . . . . 106 G N . 52605 1 396 . 1 . 1 107 107 VAL H H 1 7.944 0.002 . 1 . . . . . 107 V HN . 52605 1 397 . 1 . 1 107 107 VAL CA C 13 62.489 0.008 . 1 . . . . . 107 V CA . 52605 1 398 . 1 . 1 107 107 VAL CB C 13 32.742 0.010 . 1 . . . . . 107 V CB . 52605 1 399 . 1 . 1 107 107 VAL N N 15 118.626 0.065 . 1 . . . . . 107 V N . 52605 1 400 . 1 . 1 108 108 GLY H H 1 8.412 0.001 . 1 . . . . . 108 G HN . 52605 1 401 . 1 . 1 108 108 GLY CA C 13 45.298 0.045 . 1 . . . . . 108 G CA . 52605 1 402 . 1 . 1 108 108 GLY N N 15 111.963 0.007 . 1 . . . . . 108 G N . 52605 1 403 . 1 . 1 109 109 LEU H H 1 8.025 0.007 . 1 . . . . . 109 L HN . 52605 1 404 . 1 . 1 109 109 LEU CA C 13 55.350 0.106 . 1 . . . . . 109 L CA . 52605 1 405 . 1 . 1 109 109 LEU CB C 13 42.425 0.024 . 1 . . . . . 109 L CB . 52605 1 406 . 1 . 1 109 109 LEU N N 15 121.410 0.059 . 1 . . . . . 109 L N . 52605 1 407 . 1 . 1 110 110 MET H H 1 8.305 0.001 . 1 . . . . . 110 M HN . 52605 1 408 . 1 . 1 110 110 MET CA C 13 55.615 0.060 . 1 . . . . . 110 M CA . 52605 1 409 . 1 . 1 110 110 MET CB C 13 32.478 0.000 . 1 . . . . . 110 M CB . 52605 1 410 . 1 . 1 110 110 MET N N 15 120.093 0.017 . 1 . . . . . 110 M N . 52605 1 411 . 1 . 1 111 111 GLY H H 1 8.239 0.001 . 1 . . . . . 111 G HN . 52605 1 412 . 1 . 1 111 111 GLY CA C 13 45.333 0.025 . 1 . . . . . 111 G CA . 52605 1 413 . 1 . 1 111 111 GLY N N 15 109.509 0.008 . 1 . . . . . 111 G N . 52605 1 414 . 1 . 1 112 112 VAL H H 1 7.769 0.000 . 1 . . . . . 112 V HN . 52605 1 415 . 1 . 1 112 112 VAL CA C 13 62.224 0.052 . 1 . . . . . 112 V CA . 52605 1 416 . 1 . 1 112 112 VAL CB C 13 32.993 0.002 . 1 . . . . . 112 V CB . 52605 1 417 . 1 . 1 112 112 VAL N N 15 119.277 0.006 . 1 . . . . . 112 V N . 52605 1 418 . 1 . 1 113 113 ILE H H 1 8.190 0.001 . 1 . . . . . 113 I HN . 52605 1 419 . 1 . 1 113 113 ILE CA C 13 60.587 0.012 . 1 . . . . . 113 I CA . 52605 1 420 . 1 . 1 113 113 ILE CB C 13 38.458 0.052 . 1 . . . . . 113 I CB . 52605 1 421 . 1 . 1 113 113 ILE N N 15 125.703 0.005 . 1 . . . . . 113 I N . 52605 1 422 . 1 . 1 114 114 LEU H H 1 8.404 0.001 . 1 . . . . . 114 L HN . 52605 1 423 . 1 . 1 114 114 LEU CA C 13 52.820 0.000 . 1 . . . . . 114 L CA . 52605 1 424 . 1 . 1 114 114 LEU CB C 13 41.852 0.000 . 1 . . . . . 114 L CB . 52605 1 425 . 1 . 1 114 114 LEU N N 15 128.782 0.038 . 1 . . . . . 114 L N . 52605 1 426 . 1 . 1 115 115 PRO CA C 13 63.257 0.000 . 1 . . . . . 115 P CA . 52605 1 427 . 1 . 1 115 115 PRO CB C 13 32.135 0.002 . 1 . . . . . 115 P CB . 52605 1 428 . 1 . 1 116 116 SER H H 1 8.230 0.002 . 1 . . . . . 116 S HN . 52605 1 429 . 1 . 1 116 116 SER CA C 13 58.469 0.057 . 1 . . . . . 116 S CA . 52605 1 430 . 1 . 1 116 116 SER CB C 13 63.940 0.031 . 1 . . . . . 116 S CB . 52605 1 431 . 1 . 1 116 116 SER N N 15 115.313 0.021 . 1 . . . . . 116 S N . 52605 1 432 . 1 . 1 117 117 ASP H H 1 8.280 0.001 . 1 . . . . . 117 D HN . 52605 1 433 . 1 . 1 117 117 ASP CA C 13 54.922 0.000 . 1 . . . . . 117 D CA . 52605 1 434 . 1 . 1 117 117 ASP CB C 13 41.118 0.068 . 1 . . . . . 117 D CB . 52605 1 435 . 1 . 1 117 117 ASP N N 15 122.228 0.027 . 1 . . . . . 117 D N . 52605 1 436 . 1 . 1 118 118 GLU H H 1 8.198 0.001 . 1 . . . . . 118 E HN . 52605 1 437 . 1 . 1 118 118 GLU CA C 13 57.495 0.100 . 1 . . . . . 118 E CA . 52605 1 438 . 1 . 1 118 118 GLU CB C 13 30.143 0.031 . 1 . . . . . 118 E CB . 52605 1 439 . 1 . 1 118 118 GLU N N 15 121.313 0.009 . 1 . . . . . 118 E N . 52605 1 440 . 1 . 1 119 119 ALA H H 1 8.099 0.000 . 1 . . . . . 119 A HN . 52605 1 441 . 1 . 1 119 119 ALA CA C 13 53.177 0.064 . 1 . . . . . 119 A CA . 52605 1 442 . 1 . 1 119 119 ALA CB C 13 18.940 0.013 . 1 . . . . . 119 A CB . 52605 1 443 . 1 . 1 119 119 ALA N N 15 123.157 0.009 . 1 . . . . . 119 A N . 52605 1 444 . 1 . 1 120 120 LEU H H 1 7.831 0.003 . 1 . . . . . 120 L HN . 52605 1 445 . 1 . 1 120 120 LEU CA C 13 55.397 0.086 . 1 . . . . . 120 L CA . 52605 1 446 . 1 . 1 120 120 LEU CB C 13 42.094 0.045 . 1 . . . . . 120 L CB . 52605 1 447 . 1 . 1 120 120 LEU N N 15 119.549 0.028 . 1 . . . . . 120 L N . 52605 1 448 . 1 . 1 121 121 LYS H H 1 7.830 0.003 . 1 . . . . . 121 K HN . 52605 1 449 . 1 . 1 121 121 LYS CA C 13 56.425 0.022 . 1 . . . . . 121 K CA . 52605 1 450 . 1 . 1 121 121 LYS CB C 13 33.105 0.032 . 1 . . . . . 121 K CB . 52605 1 451 . 1 . 1 121 121 LYS N N 15 120.883 0.017 . 1 . . . . . 121 K N . 52605 1 452 . 1 . 1 122 122 PHE H H 1 8.034 0.004 . 1 . . . . . 122 F HN . 52605 1 453 . 1 . 1 122 122 PHE CA C 13 57.742 0.136 . 1 . . . . . 122 F CA . 52605 1 454 . 1 . 1 122 122 PHE CB C 13 39.567 0.050 . 1 . . . . . 122 F CB . 52605 1 455 . 1 . 1 122 122 PHE N N 15 120.694 0.057 . 1 . . . . . 122 F N . 52605 1 456 . 1 . 1 123 123 VAL H H 1 7.903 0.001 . 1 . . . . . 123 V HN . 52605 1 457 . 1 . 1 123 123 VAL CA C 13 62.190 0.028 . 1 . . . . . 123 V CA . 52605 1 458 . 1 . 1 123 123 VAL CB C 13 33.016 0.052 . 1 . . . . . 123 V CB . 52605 1 459 . 1 . 1 123 123 VAL N N 15 122.146 0.039 . 1 . . . . . 123 V N . 52605 1 460 . 1 . 1 124 124 SER H H 1 8.277 0.002 . 1 . . . . . 124 S HN . 52605 1 461 . 1 . 1 124 124 SER CA C 13 58.155 0.049 . 1 . . . . . 124 S CA . 52605 1 462 . 1 . 1 124 124 SER CB C 13 64.053 0.017 . 1 . . . . . 124 S CB . 52605 1 463 . 1 . 1 124 124 SER N N 15 119.370 0.049 . 1 . . . . . 124 S N . 52605 1 464 . 1 . 1 125 125 GLU H H 1 8.515 0.001 . 1 . . . . . 125 E HN . 52605 1 465 . 1 . 1 125 125 GLU CA C 13 57.023 0.064 . 1 . . . . . 125 E CA . 52605 1 466 . 1 . 1 125 125 GLU CB C 13 30.335 0.008 . 1 . . . . . 125 E CB . 52605 1 467 . 1 . 1 125 125 GLU N N 15 123.265 0.006 . 1 . . . . . 125 E N . 52605 1 468 . 1 . 1 126 126 THR H H 1 8.050 0.000 . 1 . . . . . 126 T HN . 52605 1 469 . 1 . 1 126 126 THR CA C 13 61.883 0.074 . 1 . . . . . 126 T CA . 52605 1 470 . 1 . 1 126 126 THR CB C 13 69.950 0.008 . 1 . . . . . 126 T CB . 52605 1 471 . 1 . 1 126 126 THR N N 15 113.633 0.009 . 1 . . . . . 126 T N . 52605 1 472 . 1 . 1 127 127 ASP H H 1 8.189 0.001 . 1 . . . . . 127 D HN . 52605 1 473 . 1 . 1 127 127 ASP CA C 13 54.489 0.060 . 1 . . . . . 127 D CA . 52605 1 474 . 1 . 1 127 127 ASP CB C 13 41.179 0.018 . 1 . . . . . 127 D CB . 52605 1 475 . 1 . 1 127 127 ASP N N 15 123.111 0.056 . 1 . . . . . 127 D N . 52605 1 476 . 1 . 1 128 128 ALA H H 1 7.726 0.000 . 1 . . . . . 128 A HN . 52605 1 477 . 1 . 1 128 128 ALA CA C 13 54.406 0.000 . 1 . . . . . 128 A CA . 52605 1 478 . 1 . 1 128 128 ALA CB C 13 20.300 0.000 . 1 . . . . . 128 A CB . 52605 1 479 . 1 . 1 128 128 ALA N N 15 129.357 0.009 . 1 . . . . . 128 A N . 52605 1 stop_ save_