################################### # 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 53015 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'FoxP1_m7 main conformation' _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 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 '13C chemical shift errors: 0.05 (CO) 0.1 (CA) 0.2 (CB)' _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' . . . 53015 1 2 '3D HNCA' . . . 53015 1 3 '3D HN(CO)CA' . . . 53015 1 4 '3D HNCO' . . . 53015 1 5 '3D HN(CA)CO' . . . 53015 1 6 '3D HNCACB' . . . 53015 1 7 '3D CBCA(CO)NH' . . . 53015 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 . . 53015 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 17 17 THR H H 1 8.4172 0.025 . 1 . . . . . 17 T HN . 53015 1 2 . 1 . 1 17 17 THR C C 13 174.8374 0.05 . 1 . . . . . 17 T CO . 53015 1 3 . 1 . 1 17 17 THR CA C 13 58.1474 0.1 . 1 . . . . . 17 T CA . 53015 1 4 . 1 . 1 17 17 THR CB C 13 64.2886 0.2 . 1 . . . . . 17 T CB . 53015 1 5 . 1 . 1 17 17 THR N N 15 119.6337 0.05 . 1 . . . . . 17 T N . 53015 1 6 . 1 . 1 18 18 GLN H H 1 8.3473 0.025 . 1 . . . . . 18 Q HN . 53015 1 7 . 1 . 1 18 18 GLN C C 13 176.0260 0.05 . 1 . . . . . 18 Q CO . 53015 1 8 . 1 . 1 18 18 GLN CA C 13 56.0819 0.1 . 1 . . . . . 18 Q CA . 53015 1 9 . 1 . 1 18 18 GLN CB C 13 31.1469 0.2 . 1 . . . . . 18 Q CB . 53015 1 10 . 1 . 1 18 18 GLN N N 15 122.3928 0.05 . 1 . . . . . 18 Q N . 53015 1 11 . 1 . 1 20 20 PRO C C 13 176.7874 0.05 . 1 . . . . . 20 P CO . 53015 1 12 . 1 . 1 20 20 PRO CA C 13 63.0304 0.1 . 1 . . . . . 20 P CA . 53015 1 13 . 1 . 1 20 20 PRO CB C 13 32.4938 0.2 . 1 . . . . . 20 P CB . 53015 1 14 . 1 . 1 21 21 SER H H 1 8.5240 0.025 . 1 . . . . . 21 S HN . 53015 1 15 . 1 . 1 21 21 SER C C 13 174.4123 0.05 . 1 . . . . . 21 S CO . 53015 1 16 . 1 . 1 21 21 SER CA C 13 58.4113 0.1 . 1 . . . . . 21 S CA . 53015 1 17 . 1 . 1 21 21 SER CB C 13 63.9111 0.2 . 1 . . . . . 21 S CB . 53015 1 18 . 1 . 1 21 21 SER N N 15 116.8738 0.05 . 1 . . . . . 21 S N . 53015 1 19 . 1 . 1 22 22 VAL H H 1 8.2119 0.025 . 1 . . . . . 22 V HN . 53015 1 20 . 1 . 1 22 22 VAL C C 13 175.9473 0.05 . 1 . . . . . 22 V CO . 53015 1 21 . 1 . 1 22 22 VAL CA C 13 62.2096 0.1 . 1 . . . . . 22 V CA . 53015 1 22 . 1 . 1 22 22 VAL CB C 13 33.0197 0.2 . 1 . . . . . 22 V CB . 53015 1 23 . 1 . 1 22 22 VAL N N 15 122.2917 0.05 . 1 . . . . . 22 V N . 53015 1 24 . 1 . 1 23 23 ILE H H 1 8.3080 0.025 . 1 . . . . . 23 I HN . 53015 1 25 . 1 . 1 23 23 ILE C C 13 176.4453 0.05 . 1 . . . . . 23 I CO . 53015 1 26 . 1 . 1 23 23 ILE CA C 13 60.9732 0.1 . 1 . . . . . 23 I CA . 53015 1 27 . 1 . 1 23 23 ILE CB C 13 38.6586 0.2 . 1 . . . . . 23 I CB . 53015 1 28 . 1 . 1 23 23 ILE N N 15 125.2063 0.05 . 1 . . . . . 23 I N . 53015 1 29 . 1 . 1 24 24 THR H H 1 8.3254 0.025 . 1 . . . . . 24 T HN . 53015 1 30 . 1 . 1 24 24 THR C C 13 174.7259 0.05 . 1 . . . . . 24 T CO . 53015 1 31 . 1 . 1 24 24 THR CA C 13 61.6280 0.1 . 1 . . . . . 24 T CA . 53015 1 32 . 1 . 1 24 24 THR CB C 13 69.9805 0.2 . 1 . . . . . 24 T CB . 53015 1 33 . 1 . 1 24 24 THR N N 15 119.0890 0.05 . 1 . . . . . 24 T N . 53015 1 34 . 1 . 1 25 25 THR H H 1 8.2303 0.025 . 1 . . . . . 25 T HN . 53015 1 35 . 1 . 1 25 25 THR C C 13 174.8376 0.05 . 1 . . . . . 25 T CO . 53015 1 36 . 1 . 1 25 25 THR CA C 13 61.9721 0.1 . 1 . . . . . 25 T CA . 53015 1 37 . 1 . 1 25 25 THR CB C 13 69.8988 0.2 . 1 . . . . . 25 T CB . 53015 1 38 . 1 . 1 25 25 THR N N 15 116.4587 0.05 . 1 . . . . . 25 T N . 53015 1 39 . 1 . 1 26 26 THR H H 1 8.1791 0.025 . 1 . . . . . 26 T HN . 53015 1 40 . 1 . 1 26 26 THR C C 13 174.6304 0.05 . 1 . . . . . 26 T CO . 53015 1 41 . 1 . 1 26 26 THR CA C 13 62.1124 0.1 . 1 . . . . . 26 T CA . 53015 1 42 . 1 . 1 26 26 THR CB C 13 69.7876 0.2 . 1 . . . . . 26 T CB . 53015 1 43 . 1 . 1 26 26 THR N N 15 115.9735 0.05 . 1 . . . . . 26 T N . 53015 1 44 . 1 . 1 27 27 SER H H 1 8.2956 0.025 . 1 . . . . . 27 S HN . 53015 1 45 . 1 . 1 27 27 SER C C 13 174.4461 0.05 . 1 . . . . . 27 S CO . 53015 1 46 . 1 . 1 27 27 SER CA C 13 58.4351 0.1 . 1 . . . . . 27 S CA . 53015 1 47 . 1 . 1 27 27 SER CB C 13 63.8976 0.2 . 1 . . . . . 27 S CB . 53015 1 48 . 1 . 1 27 27 SER N N 15 117.9865 0.05 . 1 . . . . . 27 S N . 53015 1 49 . 1 . 1 28 28 MET H H 1 8.2955 0.025 . 1 . . . . . 28 M HN . 53015 1 50 . 1 . 1 28 28 MET C C 13 175.9386 0.05 . 1 . . . . . 28 M CO . 53015 1 51 . 1 . 1 28 28 MET CA C 13 55.6343 0.1 . 1 . . . . . 28 M CA . 53015 1 52 . 1 . 1 28 28 MET CB C 13 32.9945 0.2 . 1 . . . . . 28 M CB . 53015 1 53 . 1 . 1 28 28 MET N N 15 121.9021 0.05 . 1 . . . . . 28 M N . 53015 1 54 . 1 . 1 29 29 HIS H H 1 8.4916 0.025 . 1 . . . . . 29 H HN . 53015 1 55 . 1 . 1 29 29 HIS C C 13 176.2380 0.05 . 1 . . . . . 29 H CO . 53015 1 56 . 1 . 1 29 29 HIS CA C 13 55.1658 0.1 . 1 . . . . . 29 H CA . 53015 1 57 . 1 . 1 29 29 HIS CB C 13 29.1396 0.2 . 1 . . . . . 29 H CB . 53015 1 58 . 1 . 1 29 29 HIS N N 15 119.5303 0.05 . 1 . . . . . 29 H N . 53015 1 59 . 1 . 1 30 30 THR H H 1 8.2082 0.025 . 1 . . . . . 30 T HN . 53015 1 60 . 1 . 1 30 30 THR C C 13 174.2416 0.05 . 1 . . . . . 30 T CO . 53015 1 61 . 1 . 1 30 30 THR CA C 13 61.8709 0.1 . 1 . . . . . 30 T CA . 53015 1 62 . 1 . 1 30 30 THR CB C 13 70.0899 0.2 . 1 . . . . . 30 T CB . 53015 1 63 . 1 . 1 30 30 THR N N 15 116.5805 0.05 . 1 . . . . . 30 T N . 53015 1 64 . 1 . 1 31 31 VAL H H 1 8.2896 0.025 . 1 . . . . . 31 V HN . 53015 1 65 . 1 . 1 31 31 VAL C C 13 176.1471 0.05 . 1 . . . . . 31 V CO . 53015 1 66 . 1 . 1 31 31 VAL CA C 13 62.1697 0.1 . 1 . . . . . 31 V CA . 53015 1 67 . 1 . 1 31 31 VAL CB C 13 33.1511 0.2 . 1 . . . . . 31 V CB . 53015 1 68 . 1 . 1 31 31 VAL N N 15 122.6624 0.05 . 1 . . . . . 31 V N . 53015 1 69 . 1 . 1 32 32 GLY H H 1 8.2980 0.025 . 1 . . . . . 32 G HN . 53015 1 70 . 1 . 1 32 32 GLY C C 13 171.5861 0.05 . 1 . . . . . 32 G CO . 53015 1 71 . 1 . 1 32 32 GLY CA C 13 44.5180 0.1 . 1 . . . . . 32 G CA . 53015 1 72 . 1 . 1 32 32 GLY N N 15 112.8403 0.05 . 1 . . . . . 32 G N . 53015 1 73 . 1 . 1 33 33 PRO C C 13 176.8217 0.05 . 1 . . . . . 33 P CO . 53015 1 74 . 1 . 1 33 33 PRO CA C 13 63.0345 0.1 . 1 . . . . . 33 P CA . 53015 1 75 . 1 . 1 33 33 PRO CB C 13 32.2608 0.2 . 1 . . . . . 33 P CB . 53015 1 76 . 1 . 1 34 34 ILE H H 1 8.2295 0.025 . 1 . . . . . 34 I HN . 53015 1 77 . 1 . 1 34 34 ILE C C 13 176.3394 0.05 . 1 . . . . . 34 I CO . 53015 1 78 . 1 . 1 34 34 ILE CA C 13 61.3166 0.1 . 1 . . . . . 34 I CA . 53015 1 79 . 1 . 1 34 34 ILE CB C 13 38.6600 0.2 . 1 . . . . . 34 I CB . 53015 1 80 . 1 . 1 34 34 ILE N N 15 121.4090 0.05 . 1 . . . . . 34 I N . 53015 1 81 . 1 . 1 35 35 ARG H H 1 8.3858 0.025 . 1 . . . . . 35 R HN . 53015 1 82 . 1 . 1 35 35 ARG C C 13 176.3321 0.05 . 1 . . . . . 35 R CO . 53015 1 83 . 1 . 1 35 35 ARG CA C 13 55.8239 0.1 . 1 . . . . . 35 R CA . 53015 1 84 . 1 . 1 35 35 ARG CB C 13 30.9399 0.2 . 1 . . . . . 35 R CB . 53015 1 85 . 1 . 1 35 35 ARG N N 15 125.7223 0.05 . 1 . . . . . 35 R N . 53015 1 86 . 1 . 1 36 36 ARG H H 1 8.3747 0.025 . 1 . . . . . 36 R HN . 53015 1 87 . 1 . 1 36 36 ARG C C 13 176.3734 0.05 . 1 . . . . . 36 R CO . 53015 1 88 . 1 . 1 36 36 ARG CA C 13 55.7986 0.1 . 1 . . . . . 36 R CA . 53015 1 89 . 1 . 1 36 36 ARG CB C 13 31.0719 0.2 . 1 . . . . . 36 R CB . 53015 1 90 . 1 . 1 36 36 ARG N N 15 123.0607 0.05 . 1 . . . . . 36 R N . 53015 1 91 . 1 . 1 37 37 ARG H H 1 8.3286 0.025 . 1 . . . . . 37 R HN . 53015 1 92 . 1 . 1 37 37 ARG C C 13 176.3793 0.05 . 1 . . . . . 37 R CO . 53015 1 93 . 1 . 1 37 37 ARG CA C 13 56.0397 0.1 . 1 . . . . . 37 R CA . 53015 1 94 . 1 . 1 37 37 ARG CB C 13 31.1378 0.2 . 1 . . . . . 37 R CB . 53015 1 95 . 1 . 1 37 37 ARG N N 15 122.9783 0.05 . 1 . . . . . 37 R N . 53015 1 96 . 1 . 1 38 38 TYR H H 1 8.3075 0.025 . 1 . . . . . 38 Y HN . 53015 1 97 . 1 . 1 38 38 TYR C C 13 175.7512 0.05 . 1 . . . . . 38 Y CO . 53015 1 98 . 1 . 1 38 38 TYR CA C 13 58.0934 0.1 . 1 . . . . . 38 Y CA . 53015 1 99 . 1 . 1 38 38 TYR CB C 13 39.0463 0.2 . 1 . . . . . 38 Y CB . 53015 1 100 . 1 . 1 38 38 TYR N N 15 121.5089 0.05 . 1 . . . . . 38 Y N . 53015 1 101 . 1 . 1 39 39 SER H H 1 8.1383 0.025 . 1 . . . . . 39 S HN . 53015 1 102 . 1 . 1 39 39 SER C C 13 174.1366 0.05 . 1 . . . . . 39 S CO . 53015 1 103 . 1 . 1 39 39 SER CA C 13 58.2336 0.1 . 1 . . . . . 39 S CA . 53015 1 104 . 1 . 1 39 39 SER CB C 13 64.1160 0.2 . 1 . . . . . 39 S CB . 53015 1 105 . 1 . 1 39 39 SER N N 15 116.4714 0.05 . 1 . . . . . 39 S N . 53015 1 106 . 1 . 1 40 40 ASP H H 1 8.3409 0.025 . 1 . . . . . 40 D HN . 53015 1 107 . 1 . 1 40 40 ASP C C 13 176.0171 0.05 . 1 . . . . . 40 D CO . 53015 1 108 . 1 . 1 40 40 ASP CA C 13 54.2619 0.1 . 1 . . . . . 40 D CA . 53015 1 109 . 1 . 1 40 40 ASP CB C 13 40.6149 0.2 . 1 . . . . . 40 D CB . 53015 1 110 . 1 . 1 40 40 ASP N N 15 122.4068 0.05 . 1 . . . . . 40 D N . 53015 1 111 . 1 . 1 41 41 LYS H H 1 8.0778 0.025 . 1 . . . . . 41 K HN . 53015 1 112 . 1 . 1 41 41 LYS C C 13 176.1703 0.05 . 1 . . . . . 41 K CO . 53015 1 113 . 1 . 1 41 41 LYS CA C 13 56.6414 0.1 . 1 . . . . . 41 K CA . 53015 1 114 . 1 . 1 41 41 LYS CB C 13 32.9691 0.2 . 1 . . . . . 41 K CB . 53015 1 115 . 1 . 1 41 41 LYS N N 15 120.2800 0.05 . 1 . . . . . 41 K N . 53015 1 116 . 1 . 1 42 42 TYR H H 1 7.9741 0.025 . 1 . . . . . 42 Y HN . 53015 1 117 . 1 . 1 42 42 TYR C C 13 175.2919 0.05 . 1 . . . . . 42 Y CO . 53015 1 118 . 1 . 1 42 42 TYR CA C 13 57.5649 0.1 . 1 . . . . . 42 Y CA . 53015 1 119 . 1 . 1 42 42 TYR CB C 13 38.8363 0.2 . 1 . . . . . 42 Y CB . 53015 1 120 . 1 . 1 42 42 TYR N N 15 119.6166 0.05 . 1 . . . . . 42 Y N . 53015 1 121 . 1 . 1 43 43 ASN H H 1 8.1767 0.025 . 1 . . . . . 43 N HN . 53015 1 122 . 1 . 1 43 43 ASN C C 13 174.2465 0.05 . 1 . . . . . 43 N CO . 53015 1 123 . 1 . 1 43 43 ASN CA C 13 53.1055 0.1 . 1 . . . . . 43 N CA . 53015 1 124 . 1 . 1 43 43 ASN CB C 13 39.0583 0.2 . 1 . . . . . 43 N CB . 53015 1 125 . 1 . 1 43 43 ASN N N 15 120.5202 0.05 . 1 . . . . . 43 N N . 53015 1 126 . 1 . 1 44 44 VAL H H 1 7.9170 0.025 . 1 . . . . . 44 V HN . 53015 1 127 . 1 . 1 44 44 VAL C C 13 176.2375 0.05 . 1 . . . . . 44 V CO . 53015 1 128 . 1 . 1 44 44 VAL CA C 13 59.8621 0.1 . 1 . . . . . 44 V CA . 53015 1 129 . 1 . 1 44 44 VAL CB C 13 32.8080 0.2 . 1 . . . . . 44 V CB . 53015 1 130 . 1 . 1 44 44 VAL N N 15 121.2621 0.05 . 1 . . . . . 44 V N . 53015 1 131 . 1 . 1 45 45 PRO C C 13 177.0476 0.05 . 1 . . . . . 45 P CO . 53015 1 132 . 1 . 1 45 45 PRO CA C 13 63.0329 0.1 . 1 . . . . . 45 P CA . 53015 1 133 . 1 . 1 45 45 PRO CB C 13 32.2645 0.2 . 1 . . . . . 45 P CB . 53015 1 134 . 1 . 1 46 46 ILE H H 1 8.2362 0.025 . 1 . . . . . 46 I HN . 53015 1 135 . 1 . 1 46 46 ILE C C 13 176.3372 0.05 . 1 . . . . . 46 I CO . 53015 1 136 . 1 . 1 46 46 ILE CA C 13 61.3220 0.1 . 1 . . . . . 46 I CA . 53015 1 137 . 1 . 1 46 46 ILE CB C 13 39.0014 0.2 . 1 . . . . . 46 I CB . 53015 1 138 . 1 . 1 46 46 ILE N N 15 121.4084 0.05 . 1 . . . . . 46 I N . 53015 1 139 . 1 . 1 47 47 SER H H 1 8.4010 0.025 . 1 . . . . . 47 S HN . 53015 1 140 . 1 . 1 47 47 SER C C 13 174.8766 0.05 . 1 . . . . . 47 S CO . 53015 1 141 . 1 . 1 47 47 SER CA C 13 57.9886 0.1 . 1 . . . . . 47 S CA . 53015 1 142 . 1 . 1 47 47 SER CB C 13 64.2487 0.2 . 1 . . . . . 47 S CB . 53015 1 143 . 1 . 1 47 47 SER N N 15 119.6051 0.05 . 1 . . . . . 47 S N . 53015 1 144 . 1 . 1 48 48 SER H H 1 8.4835 0.025 . 1 . . . . . 48 S HN . 53015 1 145 . 1 . 1 48 48 SER C C 13 174.9136 0.05 . 1 . . . . . 48 S CO . 53015 1 146 . 1 . 1 48 48 SER CA C 13 59.2857 0.1 . 1 . . . . . 48 S CA . 53015 1 147 . 1 . 1 48 48 SER CB C 13 63.5668 0.2 . 1 . . . . . 48 S CB . 53015 1 148 . 1 . 1 48 48 SER N N 15 118.2587 0.05 . 1 . . . . . 48 S N . 53015 1 149 . 1 . 1 49 49 ALA H H 1 8.2463 0.025 . 1 . . . . . 49 A HN . 53015 1 150 . 1 . 1 49 49 ALA C C 13 177.8765 0.05 . 1 . . . . . 49 A CO . 53015 1 151 . 1 . 1 49 49 ALA CA C 13 53.3591 0.1 . 1 . . . . . 49 A CA . 53015 1 152 . 1 . 1 49 49 ALA CB C 13 19.1767 0.2 . 1 . . . . . 49 A CB . 53015 1 153 . 1 . 1 49 49 ALA N N 15 125.1585 0.05 . 1 . . . . . 49 A N . 53015 1 154 . 1 . 1 50 50 ASP H H 1 8.0950 0.025 . 1 . . . . . 50 D HN . 53015 1 155 . 1 . 1 50 50 ASP C C 13 176.5444 0.05 . 1 . . . . . 50 D CO . 53015 1 156 . 1 . 1 50 50 ASP CA C 13 54.5366 0.1 . 1 . . . . . 50 D CA . 53015 1 157 . 1 . 1 50 50 ASP CB C 13 40.2216 0.2 . 1 . . . . . 50 D CB . 53015 1 158 . 1 . 1 50 50 ASP N N 15 118.4017 0.05 . 1 . . . . . 50 D N . 53015 1 159 . 1 . 1 51 51 ILE H H 1 7.8527 0.025 . 1 . . . . . 51 I HN . 53015 1 160 . 1 . 1 51 51 ILE C C 13 176.5604 0.05 . 1 . . . . . 51 I CO . 53015 1 161 . 1 . 1 51 51 ILE CA C 13 62.5005 0.1 . 1 . . . . . 51 I CA . 53015 1 162 . 1 . 1 51 51 ILE CB C 13 38.6136 0.2 . 1 . . . . . 51 I CB . 53015 1 163 . 1 . 1 51 51 ILE N N 15 120.7563 0.05 . 1 . . . . . 51 I N . 53015 1 164 . 1 . 1 52 52 ALA H H 1 8.1591 0.025 . 1 . . . . . 52 A HN . 53015 1 165 . 1 . 1 52 52 ALA C C 13 178.8093 0.05 . 1 . . . . . 52 A CO . 53015 1 166 . 1 . 1 52 52 ALA CA C 13 53.5576 0.1 . 1 . . . . . 52 A CA . 53015 1 167 . 1 . 1 52 52 ALA CB C 13 18.8739 0.2 . 1 . . . . . 52 A CB . 53015 1 168 . 1 . 1 52 52 ALA N N 15 124.8495 0.05 . 1 . . . . . 52 A N . 53015 1 169 . 1 . 1 53 53 GLN H H 1 8.1039 0.025 . 1 . . . . . 53 Q HN . 53015 1 170 . 1 . 1 53 53 GLN C C 13 176.4594 0.05 . 1 . . . . . 53 Q CO . 53015 1 171 . 1 . 1 53 53 GLN CA C 13 56.8130 0.1 . 1 . . . . . 53 Q CA . 53015 1 172 . 1 . 1 53 53 GLN CB C 13 29.2222 0.2 . 1 . . . . . 53 Q CB . 53015 1 173 . 1 . 1 53 53 GLN N N 15 117.8191 0.05 . 1 . . . . . 53 Q N . 53015 1 174 . 1 . 1 54 54 ASN H H 1 8.1997 0.025 . 1 . . . . . 54 N HN . 53015 1 175 . 1 . 1 54 54 ASN C C 13 175.9410 0.05 . 1 . . . . . 54 N CO . 53015 1 176 . 1 . 1 54 54 ASN CA C 13 53.8222 0.1 . 1 . . . . . 54 N CA . 53015 1 177 . 1 . 1 54 54 ASN CB C 13 39.1058 0.2 . 1 . . . . . 54 N CB . 53015 1 178 . 1 . 1 54 54 ASN N N 15 118.0866 0.05 . 1 . . . . . 54 N N . 53015 1 179 . 1 . 1 56 56 GLU H H 1 8.4716 0.025 . 1 . . . . . 56 E HN . 53015 1 180 . 1 . 1 56 56 GLU CA C 13 58.3273 0.1 . 1 . . . . . 56 E CA . 53015 1 181 . 1 . 1 56 56 GLU CB C 13 28.5238 0.2 . 1 . . . . . 56 E CB . 53015 1 182 . 1 . 1 56 56 GLU N N 15 116.7194 0.05 . 1 . . . . . 56 E N . 53015 1 183 . 1 . 1 57 57 PHE H H 1 7.8781 0.025 . 1 . . . . . 57 F HN . 53015 1 184 . 1 . 1 57 57 PHE C C 13 176.9410 0.05 . 1 . . . . . 57 F CO . 53015 1 185 . 1 . 1 57 57 PHE CA C 13 59.8857 0.1 . 1 . . . . . 57 F CA . 53015 1 186 . 1 . 1 57 57 PHE CB C 13 39.2226 0.2 . 1 . . . . . 57 F CB . 53015 1 187 . 1 . 1 57 57 PHE N N 15 119.0143 0.05 . 1 . . . . . 57 F N . 53015 1 188 . 1 . 1 58 58 TYR H H 1 7.6423 0.025 . 1 . . . . . 58 Y HN . 53015 1 189 . 1 . 1 58 58 TYR C C 13 176.5972 0.05 . 1 . . . . . 58 Y CO . 53015 1 190 . 1 . 1 58 58 TYR CA C 13 59.8777 0.1 . 1 . . . . . 58 Y CA . 53015 1 191 . 1 . 1 58 58 TYR CB C 13 38.8253 0.2 . 1 . . . . . 58 Y CB . 53015 1 192 . 1 . 1 58 58 TYR N N 15 115.7794 0.05 . 1 . . . . . 58 Y N . 53015 1 193 . 1 . 1 59 59 LYS H H 1 7.7971 0.025 . 1 . . . . . 59 K HN . 53015 1 194 . 1 . 1 59 59 LYS C C 13 176.5401 0.05 . 1 . . . . . 59 K CO . 53015 1 195 . 1 . 1 59 59 LYS CA C 13 58.7170 0.1 . 1 . . . . . 59 K CA . 53015 1 196 . 1 . 1 59 59 LYS CB C 13 28.6038 0.2 . 1 . . . . . 59 K CB . 53015 1 197 . 1 . 1 59 59 LYS N N 15 120.0298 0.05 . 1 . . . . . 59 K N . 53015 1 198 . 1 . 1 60 60 ASN H H 1 7.6008 0.025 . 1 . . . . . 60 N HN . 53015 1 199 . 1 . 1 60 60 ASN C C 13 174.5568 0.05 . 1 . . . . . 60 N CO . 53015 1 200 . 1 . 1 60 60 ASN CA C 13 53.0862 0.1 . 1 . . . . . 60 N CA . 53015 1 201 . 1 . 1 60 60 ASN CB C 13 39.9919 0.2 . 1 . . . . . 60 N CB . 53015 1 202 . 1 . 1 60 60 ASN N N 15 114.4010 0.05 . 1 . . . . . 60 N N . 53015 1 203 . 1 . 1 61 61 ALA H H 1 7.8066 0.025 . 1 . . . . . 61 A HN . 53015 1 204 . 1 . 1 61 61 ALA C C 13 177.1255 0.05 . 1 . . . . . 61 A CO . 53015 1 205 . 1 . 1 61 61 ALA CA C 13 52.3313 0.1 . 1 . . . . . 61 A CA . 53015 1 206 . 1 . 1 61 61 ALA CB C 13 20.1681 0.2 . 1 . . . . . 61 A CB . 53015 1 207 . 1 . 1 61 61 ALA N N 15 123.9332 0.05 . 1 . . . . . 61 A N . 53015 1 208 . 1 . 1 62 62 GLU H H 1 8.6036 0.025 . 1 . . . . . 62 E HN . 53015 1 209 . 1 . 1 62 62 GLU C C 13 175.3955 0.05 . 1 . . . . . 62 E CO . 53015 1 210 . 1 . 1 62 62 GLU CA C 13 55.7511 0.1 . 1 . . . . . 62 E CA . 53015 1 211 . 1 . 1 62 62 GLU CB C 13 28.2246 0.2 . 1 . . . . . 62 E CB . 53015 1 212 . 1 . 1 62 62 GLU N N 15 120.1132 0.05 . 1 . . . . . 62 E N . 53015 1 213 . 1 . 1 63 63 VAL H H 1 7.5827 0.025 . 1 . . . . . 63 V HN . 53015 1 214 . 1 . 1 63 63 VAL C C 13 174.0726 0.05 . 1 . . . . . 63 V CO . 53015 1 215 . 1 . 1 63 63 VAL CA C 13 60.4669 0.1 . 1 . . . . . 63 V CA . 53015 1 216 . 1 . 1 63 63 VAL CB C 13 34.5338 0.2 . 1 . . . . . 63 V CB . 53015 1 217 . 1 . 1 63 63 VAL N N 15 119.9135 0.05 . 1 . . . . . 63 V N . 53015 1 218 . 1 . 1 64 64 ARG H H 1 8.2208 0.025 . 1 . . . . . 64 R HN . 53015 1 219 . 1 . 1 64 64 ARG C C 13 173.5611 0.05 . 1 . . . . . 64 R CO . 53015 1 220 . 1 . 1 64 64 ARG CA C 13 53.7943 0.1 . 1 . . . . . 64 R CA . 53015 1 221 . 1 . 1 64 64 ARG CB C 13 30.2563 0.2 . 1 . . . . . 64 R CB . 53015 1 222 . 1 . 1 64 64 ARG N N 15 128.3336 0.05 . 1 . . . . . 64 R N . 53015 1 223 . 1 . 1 66 66 PRO C C 13 174.2633 0.05 . 1 . . . . . 66 P CO . 53015 1 224 . 1 . 1 66 66 PRO CA C 13 62.8056 0.1 . 1 . . . . . 66 P CA . 53015 1 225 . 1 . 1 66 66 PRO CB C 13 28.7292 0.2 . 1 . . . . . 66 P CB . 53015 1 226 . 1 . 1 67 67 PHE H H 1 7.2753 0.025 . 1 . . . . . 67 F HN . 53015 1 227 . 1 . 1 67 67 PHE C C 13 175.4927 0.05 . 1 . . . . . 67 F CO . 53015 1 228 . 1 . 1 67 67 PHE CA C 13 55.1053 0.1 . 1 . . . . . 67 F CA . 53015 1 229 . 1 . 1 67 67 PHE CB C 13 43.0939 0.2 . 1 . . . . . 67 F CB . 53015 1 230 . 1 . 1 67 67 PHE N N 15 118.5177 0.05 . 1 . . . . . 67 F N . 53015 1 231 . 1 . 1 68 68 THR H H 1 8.7445 0.025 . 1 . . . . . 68 T HN . 53015 1 232 . 1 . 1 68 68 THR C C 13 176.1449 0.05 . 1 . . . . . 68 T CO . 53015 1 233 . 1 . 1 68 68 THR CA C 13 60.7836 0.1 . 1 . . . . . 68 T CA . 53015 1 234 . 1 . 1 68 68 THR CB C 13 70.4268 0.2 . 1 . . . . . 68 T CB . 53015 1 235 . 1 . 1 68 68 THR N N 15 112.6278 0.05 . 1 . . . . . 68 T N . 53015 1 236 . 1 . 1 69 69 TYR H H 1 8.9085 0.025 . 1 . . . . . 69 Y HN . 53015 1 237 . 1 . 1 69 69 TYR C C 13 178.5028 0.05 . 1 . . . . . 69 Y CO . 53015 1 238 . 1 . 1 69 69 TYR CA C 13 63.5490 0.1 . 1 . . . . . 69 Y CA . 53015 1 239 . 1 . 1 69 69 TYR CB C 13 38.4582 0.2 . 1 . . . . . 69 Y CB . 53015 1 240 . 1 . 1 69 69 TYR N N 15 120.2007 0.05 . 1 . . . . . 69 Y N . 53015 1 241 . 1 . 1 70 70 ALA H H 1 8.9788 0.025 . 1 . . . . . 70 A HN . 53015 1 242 . 1 . 1 70 70 ALA C C 13 179.2244 0.05 . 1 . . . . . 70 A CO . 53015 1 243 . 1 . 1 70 70 ALA CA C 13 56.1346 0.1 . 1 . . . . . 70 A CA . 53015 1 244 . 1 . 1 70 70 ALA CB C 13 17.3185 0.2 . 1 . . . . . 70 A CB . 53015 1 245 . 1 . 1 70 70 ALA N N 15 118.8640 0.05 . 1 . . . . . 70 A N . 53015 1 246 . 1 . 1 71 71 SER H H 1 7.9395 0.025 . 1 . . . . . 71 S HN . 53015 1 247 . 1 . 1 71 71 SER CA C 13 61.9679 0.1 . 1 . . . . . 71 S CA . 53015 1 248 . 1 . 1 71 71 SER CB C 13 62.9573 0.2 . 1 . . . . . 71 S CB . 53015 1 249 . 1 . 1 71 71 SER N N 15 113.4852 0.05 . 1 . . . . . 71 S N . 53015 1 250 . 1 . 1 72 72 LEU H H 1 7.8446 0.025 . 1 . . . . . 72 L HN . 53015 1 251 . 1 . 1 72 72 LEU C C 13 176.9155 0.05 . 1 . . . . . 72 L CO . 53015 1 252 . 1 . 1 72 72 LEU CA C 13 57.8201 0.1 . 1 . . . . . 72 L CA . 53015 1 253 . 1 . 1 72 72 LEU CB C 13 42.9473 0.2 . 1 . . . . . 72 L CB . 53015 1 254 . 1 . 1 72 72 LEU N N 15 123.8061 0.05 . 1 . . . . . 72 L N . 53015 1 255 . 1 . 1 73 73 ILE H H 1 8.6339 0.025 . 1 . . . . . 73 I HN . 53015 1 256 . 1 . 1 73 73 ILE C C 13 177.2056 0.05 . 1 . . . . . 73 I CO . 53015 1 257 . 1 . 1 73 73 ILE CA C 13 65.9707 0.1 . 1 . . . . . 73 I CA . 53015 1 258 . 1 . 1 73 73 ILE CB C 13 38.2900 0.2 . 1 . . . . . 73 I CB . 53015 1 259 . 1 . 1 73 73 ILE N N 15 118.2734 0.05 . 1 . . . . . 73 I N . 53015 1 260 . 1 . 1 74 74 ARG H H 1 7.8387 0.025 . 1 . . . . . 74 R HN . 53015 1 261 . 1 . 1 74 74 ARG C C 13 176.5350 0.05 . 1 . . . . . 74 R CO . 53015 1 262 . 1 . 1 74 74 ARG CA C 13 60.4052 0.1 . 1 . . . . . 74 R CA . 53015 1 263 . 1 . 1 74 74 ARG CB C 13 30.3601 0.2 . 1 . . . . . 74 R CB . 53015 1 264 . 1 . 1 74 74 ARG N N 15 116.3056 0.05 . 1 . . . . . 74 R N . 53015 1 265 . 1 . 1 75 75 GLN H H 1 7.6281 0.025 . 1 . . . . . 75 Q HN . 53015 1 266 . 1 . 1 75 75 GLN C C 13 176.6887 0.05 . 1 . . . . . 75 Q CO . 53015 1 267 . 1 . 1 75 75 GLN CA C 13 59.0559 0.1 . 1 . . . . . 75 Q CA . 53015 1 268 . 1 . 1 75 75 GLN CB C 13 28.0148 0.2 . 1 . . . . . 75 Q CB . 53015 1 269 . 1 . 1 75 75 GLN N N 15 118.3261 0.05 . 1 . . . . . 75 Q N . 53015 1 270 . 1 . 1 76 76 ALA H H 1 7.3909 0.025 . 1 . . . . . 76 A HN . 53015 1 271 . 1 . 1 76 76 ALA C C 13 179.9639 0.05 . 1 . . . . . 76 A CO . 53015 1 272 . 1 . 1 76 76 ALA CA C 13 54.7951 0.1 . 1 . . . . . 76 A CA . 53015 1 273 . 1 . 1 76 76 ALA CB C 13 16.5368 0.2 . 1 . . . . . 76 A CB . 53015 1 274 . 1 . 1 76 76 ALA N N 15 120.5700 0.05 . 1 . . . . . 76 A N . 53015 1 275 . 1 . 1 77 77 ILE H H 1 7.6417 0.025 . 1 . . . . . 77 I HN . 53015 1 276 . 1 . 1 77 77 ILE C C 13 179.7370 0.05 . 1 . . . . . 77 I CO . 53015 1 277 . 1 . 1 77 77 ILE CA C 13 65.7124 0.1 . 1 . . . . . 77 I CA . 53015 1 278 . 1 . 1 77 77 ILE CB C 13 38.4784 0.2 . 1 . . . . . 77 I CB . 53015 1 279 . 1 . 1 77 77 ILE N N 15 115.2441 0.05 . 1 . . . . . 77 I N . 53015 1 280 . 1 . 1 78 78 LEU H H 1 8.7057 0.025 . 1 . . . . . 78 L HN . 53015 1 281 . 1 . 1 78 78 LEU C C 13 178.5430 0.05 . 1 . . . . . 78 L CO . 53015 1 282 . 1 . 1 78 78 LEU CA C 13 57.6553 0.1 . 1 . . . . . 78 L CA . 53015 1 283 . 1 . 1 78 78 LEU CB C 13 41.1261 0.2 . 1 . . . . . 78 L CB . 53015 1 284 . 1 . 1 78 78 LEU N N 15 120.2433 0.05 . 1 . . . . . 78 L N . 53015 1 285 . 1 . 1 79 79 GLU H H 1 7.7192 0.025 . 1 . . . . . 79 E HN . 53015 1 286 . 1 . 1 79 79 GLU C C 13 176.7707 0.05 . 1 . . . . . 79 E CO . 53015 1 287 . 1 . 1 79 79 GLU CA C 13 56.7007 0.1 . 1 . . . . . 79 E CA . 53015 1 288 . 1 . 1 79 79 GLU CB C 13 29.4316 0.2 . 1 . . . . . 79 E CB . 53015 1 289 . 1 . 1 79 79 GLU N N 15 116.0455 0.05 . 1 . . . . . 79 E N . 53015 1 290 . 1 . 1 80 80 SER H H 1 7.5604 0.025 . 1 . . . . . 80 S HN . 53015 1 291 . 1 . 1 80 80 SER C C 13 174.6080 0.05 . 1 . . . . . 80 S CO . 53015 1 292 . 1 . 1 80 80 SER CA C 13 57.4618 0.1 . 1 . . . . . 80 S CA . 53015 1 293 . 1 . 1 80 80 SER CB C 13 63.8093 0.2 . 1 . . . . . 80 S CB . 53015 1 294 . 1 . 1 80 80 SER N N 15 118.6501 0.05 . 1 . . . . . 80 S N . 53015 1 295 . 1 . 1 93 93 TRP CA C 13 57.9198 0.1 . 1 . . . . . 93 W CA . 53015 1 296 . 1 . 1 93 93 TRP CB C 13 29.5025 0.2 . 1 . . . . . 93 W CB . 53015 1 297 . 1 . 1 94 94 PHE H H 1 8.5327 0.025 . 1 . . . . . 94 F HN . 53015 1 298 . 1 . 1 94 94 PHE C C 13 178.0564 0.05 . 1 . . . . . 94 F CO . 53015 1 299 . 1 . 1 94 94 PHE CA C 13 63.3958 0.1 . 1 . . . . . 94 F CA . 53015 1 300 . 1 . 1 94 94 PHE CB C 13 40.3611 0.2 . 1 . . . . . 94 F CB . 53015 1 301 . 1 . 1 94 94 PHE N N 15 118.5237 0.05 . 1 . . . . . 94 F N . 53015 1 302 . 1 . 1 95 95 THR H H 1 8.1070 0.025 . 1 . . . . . 95 T HN . 53015 1 303 . 1 . 1 95 95 THR C C 13 176.2979 0.05 . 1 . . . . . 95 T CO . 53015 1 304 . 1 . 1 95 95 THR CA C 13 65.1761 0.1 . 1 . . . . . 95 T CA . 53015 1 305 . 1 . 1 95 95 THR CB C 13 68.9959 0.2 . 1 . . . . . 95 T CB . 53015 1 306 . 1 . 1 95 95 THR N N 15 106.4930 0.05 . 1 . . . . . 95 T N . 53015 1 307 . 1 . 1 96 96 ARG H H 1 8.0732 0.025 . 1 . . . . . 96 R HN . 53015 1 308 . 1 . 1 96 96 ARG C C 13 178.6781 0.05 . 1 . . . . . 96 R CO . 53015 1 309 . 1 . 1 96 96 ARG CA C 13 58.6621 0.1 . 1 . . . . . 96 R CA . 53015 1 310 . 1 . 1 96 96 ARG CB C 13 30.6311 0.2 . 1 . . . . . 96 R CB . 53015 1 311 . 1 . 1 96 96 ARG N N 15 122.1147 0.05 . 1 . . . . . 96 R N . 53015 1 312 . 1 . 1 97 97 MET H H 1 7.5631 0.025 . 1 . . . . . 97 M HN . 53015 1 313 . 1 . 1 97 97 MET C C 13 176.2495 0.05 . 1 . . . . . 97 M CO . 53015 1 314 . 1 . 1 97 97 MET CA C 13 55.4854 0.1 . 1 . . . . . 97 M CA . 53015 1 315 . 1 . 1 97 97 MET CB C 13 32.0404 0.2 . 1 . . . . . 97 M CB . 53015 1 316 . 1 . 1 97 97 MET N N 15 115.1289 0.05 . 1 . . . . . 97 M N . 53015 1 317 . 1 . 1 98 98 PHE CA C 13 55.8241 0.1 . 1 . . . . . 98 F CA . 53015 1 318 . 1 . 1 98 98 PHE CB C 13 41.1734 0.2 . 1 . . . . . 98 F CB . 53015 1 319 . 1 . 1 99 99 ALA H H 1 8.4947 0.025 . 1 . . . . . 99 A HN . 53015 1 320 . 1 . 1 99 99 ALA C C 13 179.5411 0.05 . 1 . . . . . 99 A CO . 53015 1 321 . 1 . 1 99 99 ALA CA C 13 54.9442 0.1 . 1 . . . . . 99 A CA . 53015 1 322 . 1 . 1 99 99 ALA CB C 13 17.8279 0.2 . 1 . . . . . 99 A CB . 53015 1 323 . 1 . 1 99 99 ALA N N 15 127.2247 0.05 . 1 . . . . . 99 A N . 53015 1 324 . 1 . 1 100 100 TYR H H 1 9.1960 0.025 . 1 . . . . . 100 Y HN . 53015 1 325 . 1 . 1 100 100 TYR C C 13 176.4478 0.05 . 1 . . . . . 100 Y CO . 53015 1 326 . 1 . 1 100 100 TYR CA C 13 61.3956 0.1 . 1 . . . . . 100 Y CA . 53015 1 327 . 1 . 1 100 100 TYR CB C 13 40.1975 0.2 . 1 . . . . . 100 Y CB . 53015 1 328 . 1 . 1 100 100 TYR N N 15 117.2909 0.05 . 1 . . . . . 100 Y N . 53015 1 329 . 1 . 1 103 103 ARG CA C 13 55.8216 0.1 . 1 . . . . . 103 R CA . 53015 1 330 . 1 . 1 103 103 ARG CB C 13 32.2020 0.2 . 1 . . . . . 103 R CB . 53015 1 331 . 1 . 1 104 104 ASN H H 1 8.4461 0.025 . 1 . . . . . 104 N HN . 53015 1 332 . 1 . 1 104 104 ASN C C 13 174.9663 0.05 . 1 . . . . . 104 N CO . 53015 1 333 . 1 . 1 104 104 ASN CA C 13 53.7527 0.1 . 1 . . . . . 104 N CA . 53015 1 334 . 1 . 1 104 104 ASN CB C 13 38.4424 0.2 . 1 . . . . . 104 N CB . 53015 1 335 . 1 . 1 104 104 ASN N N 15 117.0711 0.05 . 1 . . . . . 104 N N . 53015 1 336 . 1 . 1 105 105 ALA H H 1 8.1194 0.025 . 1 . . . . . 105 A HN . 53015 1 337 . 1 . 1 105 105 ALA C C 13 177.6087 0.05 . 1 . . . . . 105 A CO . 53015 1 338 . 1 . 1 105 105 ALA CA C 13 53.6901 0.1 . 1 . . . . . 105 A CA . 53015 1 339 . 1 . 1 105 105 ALA CB C 13 19.3989 0.2 . 1 . . . . . 105 A CB . 53015 1 340 . 1 . 1 105 105 ALA N N 15 121.9052 0.05 . 1 . . . . . 105 A N . 53015 1 341 . 1 . 1 106 106 ALA H H 1 8.3515 0.025 . 1 . . . . . 106 A HN . 53015 1 342 . 1 . 1 106 106 ALA C C 13 176.2144 0.05 . 1 . . . . . 106 A CO . 53015 1 343 . 1 . 1 106 106 ALA CA C 13 54.2218 0.1 . 1 . . . . . 106 A CA . 53015 1 344 . 1 . 1 106 106 ALA CB C 13 18.9121 0.2 . 1 . . . . . 106 A CB . 53015 1 345 . 1 . 1 106 106 ALA N N 15 118.8441 0.05 . 1 . . . . . 106 A N . 53015 1 346 . 1 . 1 107 107 THR H H 1 7.8593 0.025 . 1 . . . . . 107 T HN . 53015 1 347 . 1 . 1 107 107 THR C C 13 179.9067 0.05 . 1 . . . . . 107 T CO . 53015 1 348 . 1 . 1 107 107 THR CA C 13 65.3747 0.1 . 1 . . . . . 107 T CA . 53015 1 349 . 1 . 1 107 107 THR CB C 13 68.8873 0.2 . 1 . . . . . 107 T CB . 53015 1 350 . 1 . 1 107 107 THR N N 15 111.8620 0.05 . 1 . . . . . 107 T N . 53015 1 351 . 1 . 1 108 108 TRP H H 1 7.7768 0.025 . 1 . . . . . 108 W HN . 53015 1 352 . 1 . 1 108 108 TRP C C 13 177.9860 0.05 . 1 . . . . . 108 W CO . 53015 1 353 . 1 . 1 108 108 TRP CA C 13 59.1704 0.1 . 1 . . . . . 108 W CA . 53015 1 354 . 1 . 1 108 108 TRP CB C 13 28.9395 0.2 . 1 . . . . . 108 W CB . 53015 1 355 . 1 . 1 108 108 TRP N N 15 121.4187 0.05 . 1 . . . . . 108 W N . 53015 1 356 . 1 . 1 109 109 LYS CA C 13 60.9411 0.1 . 1 . . . . . 109 K CA . 53015 1 357 . 1 . 1 109 109 LYS CB C 13 31.1367 0.2 . 1 . . . . . 109 K CB . 53015 1 358 . 1 . 1 110 110 ASN H H 1 7.3642 0.025 . 1 . . . . . 110 N HN . 53015 1 359 . 1 . 1 110 110 ASN C C 13 177.3492 0.05 . 1 . . . . . 110 N CO . 53015 1 360 . 1 . 1 110 110 ASN CA C 13 55.9896 0.1 . 1 . . . . . 110 N CA . 53015 1 361 . 1 . 1 110 110 ASN CB C 13 38.2861 0.2 . 1 . . . . . 110 N CB . 53015 1 362 . 1 . 1 110 110 ASN N N 15 117.3422 0.05 . 1 . . . . . 110 N N . 53015 1 363 . 1 . 1 111 111 ALA H H 1 7.4193 0.025 . 1 . . . . . 111 A HN . 53015 1 364 . 1 . 1 111 111 ALA C C 13 181.6143 0.05 . 1 . . . . . 111 A CO . 53015 1 365 . 1 . 1 111 111 ALA CA C 13 55.2785 0.1 . 1 . . . . . 111 A CA . 53015 1 366 . 1 . 1 111 111 ALA CB C 13 17.6670 0.2 . 1 . . . . . 111 A CB . 53015 1 367 . 1 . 1 111 111 ALA N N 15 123.5020 0.05 . 1 . . . . . 111 A N . 53015 1 368 . 1 . 1 117 117 SER CA C 13 60.5778 0.1 . 1 . . . . . 117 S CA . 53015 1 369 . 1 . 1 117 117 SER CB C 13 63.9103 0.2 . 1 . . . . . 117 S CB . 53015 1 370 . 1 . 1 118 118 LEU H H 1 7.6671 0.025 . 1 . . . . . 118 L HN . 53015 1 371 . 1 . 1 118 118 LEU C C 13 177.2613 0.05 . 1 . . . . . 118 L CO . 53015 1 372 . 1 . 1 118 118 LEU CA C 13 56.1062 0.1 . 1 . . . . . 118 L CA . 53015 1 373 . 1 . 1 118 118 LEU CB C 13 44.2394 0.2 . 1 . . . . . 118 L CB . 53015 1 374 . 1 . 1 118 118 LEU N N 15 119.0575 0.05 . 1 . . . . . 118 L N . 53015 1 375 . 1 . 1 119 119 HIS H H 1 7.5028 0.025 . 1 . . . . . 119 H HN . 53015 1 376 . 1 . 1 119 119 HIS C C 13 174.1230 0.05 . 1 . . . . . 119 H CO . 53015 1 377 . 1 . 1 119 119 HIS CA C 13 55.6710 0.1 . 1 . . . . . 119 H CA . 53015 1 378 . 1 . 1 119 119 HIS CB C 13 29.4959 0.2 . 1 . . . . . 119 H CB . 53015 1 379 . 1 . 1 119 119 HIS N N 15 115.4766 0.05 . 1 . . . . . 119 H N . 53015 1 380 . 1 . 1 120 120 LYS H H 1 8.5939 0.025 . 1 . . . . . 120 K HN . 53015 1 381 . 1 . 1 120 120 LYS C C 13 177.2114 0.05 . 1 . . . . . 120 K CO . 53015 1 382 . 1 . 1 120 120 LYS CA C 13 57.5875 0.1 . 1 . . . . . 120 K CA . 53015 1 383 . 1 . 1 120 120 LYS CB C 13 31.7219 0.2 . 1 . . . . . 120 K CB . 53015 1 384 . 1 . 1 120 120 LYS N N 15 123.1633 0.05 . 1 . . . . . 120 K N . 53015 1 385 . 1 . 1 130 130 GLY H H 1 7.8155 0.025 . 1 . . . . . 130 G HN . 53015 1 386 . 1 . 1 130 130 GLY C C 13 171.7551 0.05 . 1 . . . . . 130 G CO . 53015 1 387 . 1 . 1 130 130 GLY CA C 13 44.5640 0.1 . 1 . . . . . 130 G CA . 53015 1 388 . 1 . 1 130 130 GLY N N 15 109.4970 0.05 . 1 . . . . . 130 G N . 53015 1 389 . 1 . 1 131 131 ALA H H 1 8.1673 0.025 . 1 . . . . . 131 A HN . 53015 1 390 . 1 . 1 131 131 ALA C C 13 177.0196 0.05 . 1 . . . . . 131 A CO . 53015 1 391 . 1 . 1 131 131 ALA CA C 13 51.8913 0.1 . 1 . . . . . 131 A CA . 53015 1 392 . 1 . 1 131 131 ALA CB C 13 19.2192 0.2 . 1 . . . . . 131 A CB . 53015 1 393 . 1 . 1 131 131 ALA N N 15 124.3664 0.05 . 1 . . . . . 131 A N . 53015 1 394 . 1 . 1 133 133 TRP H H 1 9.0161 0.025 . 1 . . . . . 133 W HN . 53015 1 395 . 1 . 1 133 133 TRP C C 13 175.4020 0.05 . 1 . . . . . 133 W CO . 53015 1 396 . 1 . 1 133 133 TRP CA C 13 56.6657 0.1 . 1 . . . . . 133 W CA . 53015 1 397 . 1 . 1 133 133 TRP CB C 13 31.2446 0.2 . 1 . . . . . 133 W CB . 53015 1 398 . 1 . 1 133 133 TRP N N 15 122.4855 0.05 . 1 . . . . . 133 W N . 53015 1 399 . 1 . 1 134 134 THR H H 1 8.8479 0.025 . 1 . . . . . 134 T HN . 53015 1 400 . 1 . 1 134 134 THR C C 13 173.2193 0.05 . 1 . . . . . 134 T CO . 53015 1 401 . 1 . 1 134 134 THR CA C 13 59.5148 0.1 . 1 . . . . . 134 T CA . 53015 1 402 . 1 . 1 134 134 THR CB C 13 72.5328 0.2 . 1 . . . . . 134 T CB . 53015 1 403 . 1 . 1 134 134 THR N N 15 113.0243 0.05 . 1 . . . . . 134 T N . 53015 1 404 . 1 . 1 135 135 VAL H H 1 8.8849 0.025 . 1 . . . . . 135 V HN . 53015 1 405 . 1 . 1 135 135 VAL C C 13 175.3461 0.05 . 1 . . . . . 135 V CO . 53015 1 406 . 1 . 1 135 135 VAL CA C 13 59.7366 0.1 . 1 . . . . . 135 V CA . 53015 1 407 . 1 . 1 135 135 VAL CB C 13 34.7233 0.2 . 1 . . . . . 135 V CB . 53015 1 408 . 1 . 1 135 135 VAL N N 15 118.9718 0.05 . 1 . . . . . 135 V N . 53015 1 409 . 1 . 1 136 136 ASP H H 1 9.1926 0.025 . 1 . . . . . 136 D HN . 53015 1 410 . 1 . 1 136 136 ASP C C 13 175.9411 0.05 . 1 . . . . . 136 D CO . 53015 1 411 . 1 . 1 136 136 ASP CA C 13 53.3503 0.1 . 1 . . . . . 136 D CA . 53015 1 412 . 1 . 1 136 136 ASP CB C 13 39.9724 0.2 . 1 . . . . . 136 D CB . 53015 1 413 . 1 . 1 136 136 ASP N N 15 126.7116 0.05 . 1 . . . . . 136 D N . 53015 1 414 . 1 . 1 137 137 GLU H H 1 8.5723 0.025 . 1 . . . . . 137 E HN . 53015 1 415 . 1 . 1 137 137 GLU C C 13 177.2139 0.05 . 1 . . . . . 137 E CO . 53015 1 416 . 1 . 1 137 137 GLU CA C 13 57.1849 0.1 . 1 . . . . . 137 E CA . 53015 1 417 . 1 . 1 137 137 GLU CB C 13 29.9845 0.2 . 1 . . . . . 137 E CB . 53015 1 418 . 1 . 1 137 137 GLU N N 15 123.4897 0.05 . 1 . . . . . 137 E N . 53015 1 419 . 1 . 1 138 138 VAL H H 1 7.9868 0.025 . 1 . . . . . 138 V HN . 53015 1 420 . 1 . 1 138 138 VAL C C 13 177.4007 0.05 . 1 . . . . . 138 V CO . 53015 1 421 . 1 . 1 138 138 VAL CA C 13 64.3128 0.1 . 1 . . . . . 138 V CA . 53015 1 422 . 1 . 1 138 138 VAL CB C 13 32.0427 0.2 . 1 . . . . . 138 V CB . 53015 1 423 . 1 . 1 138 138 VAL N N 15 119.9302 0.05 . 1 . . . . . 138 V N . 53015 1 424 . 1 . 1 139 139 GLU H H 1 7.8967 0.025 . 1 . . . . . 139 E HN . 53015 1 425 . 1 . 1 139 139 GLU C C 13 177.1983 0.05 . 1 . . . . . 139 E CO . 53015 1 426 . 1 . 1 139 139 GLU CA C 13 57.1321 0.1 . 1 . . . . . 139 E CA . 53015 1 427 . 1 . 1 139 139 GLU CB C 13 29.1359 0.2 . 1 . . . . . 139 E CB . 53015 1 428 . 1 . 1 139 139 GLU N N 15 120.7460 0.05 . 1 . . . . . 139 E N . 53015 1 429 . 1 . 1 140 140 PHE H H 1 8.2153 0.025 . 1 . . . . . 140 F HN . 53015 1 430 . 1 . 1 140 140 PHE C C 13 176.3268 0.05 . 1 . . . . . 140 F CO . 53015 1 431 . 1 . 1 140 140 PHE CA C 13 59.2400 0.1 . 1 . . . . . 140 F CA . 53015 1 432 . 1 . 1 140 140 PHE CB C 13 39.4579 0.2 . 1 . . . . . 140 F CB . 53015 1 433 . 1 . 1 140 140 PHE N N 15 119.8201 0.05 . 1 . . . . . 140 F N . 53015 1 434 . 1 . 1 141 141 GLN H H 1 8.0015 0.025 . 1 . . . . . 141 Q HN . 53015 1 435 . 1 . 1 141 141 GLN C C 13 176.2326 0.05 . 1 . . . . . 141 Q CO . 53015 1 436 . 1 . 1 141 141 GLN CA C 13 56.4687 0.1 . 1 . . . . . 141 Q CA . 53015 1 437 . 1 . 1 141 141 GLN CB C 13 29.1724 0.2 . 1 . . . . . 141 Q CB . 53015 1 438 . 1 . 1 141 141 GLN N N 15 118.8129 0.05 . 1 . . . . . 141 Q N . 53015 1 439 . 1 . 1 142 142 LYS H H 1 7.9338 0.025 . 1 . . . . . 142 K HN . 53015 1 440 . 1 . 1 142 142 LYS C C 13 176.6339 0.05 . 1 . . . . . 142 K CO . 53015 1 441 . 1 . 1 142 142 LYS CA C 13 57.0027 0.1 . 1 . . . . . 142 K CA . 53015 1 442 . 1 . 1 142 142 LYS CB C 13 33.0179 0.2 . 1 . . . . . 142 K CB . 53015 1 443 . 1 . 1 142 142 LYS N N 15 120.8397 0.05 . 1 . . . . . 142 K N . 53015 1 444 . 1 . 1 143 143 ARG H H 1 8.0126 0.025 . 1 . . . . . 143 R HN . 53015 1 445 . 1 . 1 143 143 ARG C C 13 175.9246 0.05 . 1 . . . . . 143 R CO . 53015 1 446 . 1 . 1 143 143 ARG CA C 13 55.8676 0.1 . 1 . . . . . 143 R CA . 53015 1 447 . 1 . 1 143 143 ARG CB C 13 30.8214 0.2 . 1 . . . . . 143 R CB . 53015 1 448 . 1 . 1 143 143 ARG N N 15 120.9281 0.05 . 1 . . . . . 143 R N . 53015 1 449 . 1 . 1 144 144 ARG H H 1 8.2488 0.025 . 1 . . . . . 144 R HN . 53015 1 450 . 1 . 1 144 144 ARG C C 13 174.1815 0.05 . 1 . . . . . 144 R CO . 53015 1 451 . 1 . 1 144 144 ARG CA C 13 54.1319 0.1 . 1 . . . . . 144 R CA . 53015 1 452 . 1 . 1 144 144 ARG CB C 13 30.1530 0.2 . 1 . . . . . 144 R CB . 53015 1 453 . 1 . 1 144 144 ARG N N 15 123.5120 0.05 . 1 . . . . . 144 R N . 53015 1 454 . 1 . 1 145 145 PRO C C 13 176.7537 0.05 . 1 . . . . . 145 P CO . 53015 1 455 . 1 . 1 145 145 PRO CA C 13 63.1968 0.1 . 1 . . . . . 145 P CA . 53015 1 456 . 1 . 1 145 145 PRO CB C 13 32.1937 0.2 . 1 . . . . . 145 P CB . 53015 1 457 . 1 . 1 146 146 GLN H H 1 8.4543 0.025 . 1 . . . . . 146 Q HN . 53015 1 458 . 1 . 1 146 146 GLN C C 13 175.7779 0.05 . 1 . . . . . 146 Q CO . 53015 1 459 . 1 . 1 146 146 GLN CA C 13 55.7669 0.1 . 1 . . . . . 146 Q CA . 53015 1 460 . 1 . 1 146 146 GLN CB C 13 30.0383 0.2 . 1 . . . . . 146 Q CB . 53015 1 461 . 1 . 1 146 146 GLN N N 15 121.0406 0.05 . 1 . . . . . 146 Q N . 53015 1 462 . 1 . 1 147 147 LYS H H 1 8.3707 0.025 . 1 . . . . . 147 K HN . 53015 1 463 . 1 . 1 147 147 LYS C C 13 176.3807 0.05 . 1 . . . . . 147 K CO . 53015 1 464 . 1 . 1 147 147 LYS CA C 13 56.3607 0.1 . 1 . . . . . 147 K CA . 53015 1 465 . 1 . 1 147 147 LYS CB C 13 33.2614 0.2 . 1 . . . . . 147 K CB . 53015 1 466 . 1 . 1 147 147 LYS N N 15 123.0394 0.05 . 1 . . . . . 147 K N . 53015 1 467 . 1 . 1 148 148 ILE H H 1 8.3073 0.025 . 1 . . . . . 148 I HN . 53015 1 468 . 1 . 1 148 148 ILE C C 13 176.1683 0.05 . 1 . . . . . 148 I CO . 53015 1 469 . 1 . 1 148 148 ILE CA C 13 61.2837 0.1 . 1 . . . . . 148 I CA . 53015 1 470 . 1 . 1 148 148 ILE CB C 13 38.9189 0.2 . 1 . . . . . 148 I CB . 53015 1 471 . 1 . 1 148 148 ILE N N 15 122.9637 0.05 . 1 . . . . . 148 I N . 53015 1 472 . 1 . 1 149 149 SER H H 1 8.3315 0.025 . 1 . . . . . 149 S HN . 53015 1 473 . 1 . 1 149 149 SER C C 13 173.8681 0.05 . 1 . . . . . 149 S CO . 53015 1 474 . 1 . 1 149 149 SER CA C 13 58.2331 0.1 . 1 . . . . . 149 S CA . 53015 1 475 . 1 . 1 149 149 SER CB C 13 64.2220 0.2 . 1 . . . . . 149 S CB . 53015 1 476 . 1 . 1 149 149 SER N N 15 119.7983 0.05 . 1 . . . . . 149 S N . 53015 1 477 . 1 . 1 150 150 GLY H H 1 8.0454 0.025 . 1 . . . . . 150 G HN . 53015 1 478 . 1 . 1 150 150 GLY C C 13 178.5316 0.05 . 1 . . . . . 150 G CO . 53015 1 479 . 1 . 1 150 150 GLY CA C 13 45.9889 0.1 . 1 . . . . . 150 G CA . 53015 1 480 . 1 . 1 150 150 GLY N N 15 116.3829 0.05 . 1 . . . . . 150 G N . 53015 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53015 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'FoxP1_m7 secondary conformation' _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 0.025 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 '13C chemical shift errors: 0.05 (CO) 0.1 (CA) 0.2 (CB)' _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' . . . 53015 2 2 '3D HNCA' . . . 53015 2 3 '3D HN(CO)CA' . . . 53015 2 4 '3D HNCO' . . . 53015 2 5 '3D HN(CA)CO' . . . 53015 2 6 '3D HNCACB' . . . 53015 2 7 '3D CBCA(CO)NH' . . . 53015 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 53015 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 17 17 THR H H 1 8.4172 0.025 . 1 . . . . . 17 T HN . 53015 2 2 . 1 . 1 17 17 THR C C 13 174.8374 0.05 . 1 . . . . . 17 T CO . 53015 2 3 . 1 . 1 17 17 THR CA C 13 58.1474 0.1 . 1 . . . . . 17 T CA . 53015 2 4 . 1 . 1 17 17 THR CB C 13 64.2886 0.2 . 1 . . . . . 17 T CB . 53015 2 5 . 1 . 1 17 17 THR N N 15 119.6337 0.05 . 1 . . . . . 17 T N . 53015 2 6 . 1 . 1 18 18 GLN H H 1 8.3473 0.025 . 1 . . . . . 18 Q HN . 53015 2 7 . 1 . 1 18 18 GLN C C 13 176.0260 0.05 . 1 . . . . . 18 Q CO . 53015 2 8 . 1 . 1 18 18 GLN CA C 13 56.0819 0.1 . 1 . . . . . 18 Q CA . 53015 2 9 . 1 . 1 18 18 GLN CB C 13 31.1469 0.2 . 1 . . . . . 18 Q CB . 53015 2 10 . 1 . 1 18 18 GLN N N 15 122.3928 0.05 . 1 . . . . . 18 Q N . 53015 2 11 . 1 . 1 20 20 PRO C C 13 176.7874 0.05 . 1 . . . . . 20 P CO . 53015 2 12 . 1 . 1 20 20 PRO CA C 13 63.0304 0.1 . 1 . . . . . 20 P CA . 53015 2 13 . 1 . 1 20 20 PRO CB C 13 32.4938 0.2 . 1 . . . . . 20 P CB . 53015 2 14 . 1 . 1 21 21 SER H H 1 8.5240 0.025 . 1 . . . . . 21 S HN . 53015 2 15 . 1 . 1 21 21 SER C C 13 174.4123 0.05 . 1 . . . . . 21 S CO . 53015 2 16 . 1 . 1 21 21 SER CA C 13 58.4113 0.1 . 1 . . . . . 21 S CA . 53015 2 17 . 1 . 1 21 21 SER CB C 13 63.9111 0.2 . 1 . . . . . 21 S CB . 53015 2 18 . 1 . 1 21 21 SER N N 15 116.8738 0.05 . 1 . . . . . 21 S N . 53015 2 19 . 1 . 1 22 22 VAL H H 1 8.2119 0.025 . 1 . . . . . 22 V HN . 53015 2 20 . 1 . 1 22 22 VAL C C 13 175.9473 0.05 . 1 . . . . . 22 V CO . 53015 2 21 . 1 . 1 22 22 VAL CA C 13 62.2096 0.1 . 1 . . . . . 22 V CA . 53015 2 22 . 1 . 1 22 22 VAL CB C 13 33.0197 0.2 . 1 . . . . . 22 V CB . 53015 2 23 . 1 . 1 22 22 VAL N N 15 122.2917 0.05 . 1 . . . . . 22 V N . 53015 2 24 . 1 . 1 23 23 ILE H H 1 8.3080 0.025 . 1 . . . . . 23 I HN . 53015 2 25 . 1 . 1 23 23 ILE C C 13 176.4453 0.05 . 1 . . . . . 23 I CO . 53015 2 26 . 1 . 1 23 23 ILE CA C 13 60.9732 0.1 . 1 . . . . . 23 I CA . 53015 2 27 . 1 . 1 23 23 ILE CB C 13 38.6586 0.2 . 1 . . . . . 23 I CB . 53015 2 28 . 1 . 1 23 23 ILE N N 15 125.2063 0.05 . 1 . . . . . 23 I N . 53015 2 29 . 1 . 1 24 24 THR H H 1 8.3254 0.025 . 1 . . . . . 24 T HN . 53015 2 30 . 1 . 1 24 24 THR C C 13 174.7259 0.05 . 1 . . . . . 24 T CO . 53015 2 31 . 1 . 1 24 24 THR CA C 13 61.6280 0.1 . 1 . . . . . 24 T CA . 53015 2 32 . 1 . 1 24 24 THR CB C 13 69.9805 0.2 . 1 . . . . . 24 T CB . 53015 2 33 . 1 . 1 24 24 THR N N 15 119.0890 0.05 . 1 . . . . . 24 T N . 53015 2 34 . 1 . 1 25 25 THR H H 1 8.2303 0.025 . 1 . . . . . 25 T HN . 53015 2 35 . 1 . 1 25 25 THR C C 13 174.8376 0.05 . 1 . . . . . 25 T CO . 53015 2 36 . 1 . 1 25 25 THR CA C 13 61.9721 0.1 . 1 . . . . . 25 T CA . 53015 2 37 . 1 . 1 25 25 THR CB C 13 69.8988 0.2 . 1 . . . . . 25 T CB . 53015 2 38 . 1 . 1 25 25 THR N N 15 116.4587 0.05 . 1 . . . . . 25 T N . 53015 2 39 . 1 . 1 26 26 THR H H 1 8.1791 0.025 . 1 . . . . . 26 T HN . 53015 2 40 . 1 . 1 26 26 THR C C 13 174.6304 0.05 . 1 . . . . . 26 T CO . 53015 2 41 . 1 . 1 26 26 THR CA C 13 62.1124 0.1 . 1 . . . . . 26 T CA . 53015 2 42 . 1 . 1 26 26 THR CB C 13 69.7876 0.2 . 1 . . . . . 26 T CB . 53015 2 43 . 1 . 1 26 26 THR N N 15 115.9735 0.05 . 1 . . . . . 26 T N . 53015 2 44 . 1 . 1 27 27 SER H H 1 8.2956 0.025 . 1 . . . . . 27 S HN . 53015 2 45 . 1 . 1 27 27 SER C C 13 174.4461 0.05 . 1 . . . . . 27 S CO . 53015 2 46 . 1 . 1 27 27 SER CA C 13 58.4351 0.1 . 1 . . . . . 27 S CA . 53015 2 47 . 1 . 1 27 27 SER CB C 13 63.8976 0.2 . 1 . . . . . 27 S CB . 53015 2 48 . 1 . 1 27 27 SER N N 15 117.9865 0.05 . 1 . . . . . 27 S N . 53015 2 49 . 1 . 1 28 28 MET H H 1 8.2955 0.025 . 1 . . . . . 28 M HN . 53015 2 50 . 1 . 1 28 28 MET C C 13 175.9386 0.05 . 1 . . . . . 28 M CO . 53015 2 51 . 1 . 1 28 28 MET CA C 13 55.6343 0.1 . 1 . . . . . 28 M CA . 53015 2 52 . 1 . 1 28 28 MET CB C 13 32.9945 0.2 . 1 . . . . . 28 M CB . 53015 2 53 . 1 . 1 28 28 MET N N 15 121.9021 0.05 . 1 . . . . . 28 M N . 53015 2 54 . 1 . 1 29 29 HIS H H 1 8.4916 0.025 . 1 . . . . . 29 H HN . 53015 2 55 . 1 . 1 29 29 HIS C C 13 176.2380 0.05 . 1 . . . . . 29 H CO . 53015 2 56 . 1 . 1 29 29 HIS CA C 13 55.1658 0.1 . 1 . . . . . 29 H CA . 53015 2 57 . 1 . 1 29 29 HIS CB C 13 29.1396 0.2 . 1 . . . . . 29 H CB . 53015 2 58 . 1 . 1 29 29 HIS N N 15 119.5303 0.05 . 1 . . . . . 29 H N . 53015 2 59 . 1 . 1 30 30 THR H H 1 8.2082 0.025 . 1 . . . . . 30 T HN . 53015 2 60 . 1 . 1 30 30 THR C C 13 174.2416 0.05 . 1 . . . . . 30 T CO . 53015 2 61 . 1 . 1 30 30 THR CA C 13 61.8709 0.1 . 1 . . . . . 30 T CA . 53015 2 62 . 1 . 1 30 30 THR CB C 13 70.0899 0.2 . 1 . . . . . 30 T CB . 53015 2 63 . 1 . 1 30 30 THR N N 15 116.5805 0.05 . 1 . . . . . 30 T N . 53015 2 64 . 1 . 1 31 31 VAL H H 1 8.2896 0.025 . 1 . . . . . 31 V HN . 53015 2 65 . 1 . 1 31 31 VAL C C 13 176.1471 0.05 . 1 . . . . . 31 V CO . 53015 2 66 . 1 . 1 31 31 VAL CA C 13 62.1697 0.1 . 1 . . . . . 31 V CA . 53015 2 67 . 1 . 1 31 31 VAL CB C 13 33.1511 0.2 . 1 . . . . . 31 V CB . 53015 2 68 . 1 . 1 31 31 VAL N N 15 122.6624 0.05 . 1 . . . . . 31 V N . 53015 2 69 . 1 . 1 32 32 GLY H H 1 8.2980 0.025 . 1 . . . . . 32 G HN . 53015 2 70 . 1 . 1 32 32 GLY C C 13 171.5861 0.05 . 1 . . . . . 32 G CO . 53015 2 71 . 1 . 1 32 32 GLY CA C 13 44.5180 0.1 . 1 . . . . . 32 G CA . 53015 2 72 . 1 . 1 32 32 GLY N N 15 112.8403 0.05 . 1 . . . . . 32 G N . 53015 2 73 . 1 . 1 33 33 PRO C C 13 176.8217 0.05 . 1 . . . . . 33 P CO . 53015 2 74 . 1 . 1 33 33 PRO CA C 13 63.0345 0.1 . 1 . . . . . 33 P CA . 53015 2 75 . 1 . 1 33 33 PRO CB C 13 32.2608 0.2 . 1 . . . . . 33 P CB . 53015 2 76 . 1 . 1 34 34 ILE H H 1 8.2295 0.025 . 1 . . . . . 34 I HN . 53015 2 77 . 1 . 1 34 34 ILE C C 13 176.3394 0.05 . 1 . . . . . 34 I CO . 53015 2 78 . 1 . 1 34 34 ILE CA C 13 61.3166 0.1 . 1 . . . . . 34 I CA . 53015 2 79 . 1 . 1 34 34 ILE CB C 13 38.6600 0.2 . 1 . . . . . 34 I CB . 53015 2 80 . 1 . 1 34 34 ILE N N 15 121.4090 0.05 . 1 . . . . . 34 I N . 53015 2 81 . 1 . 1 35 35 ARG H H 1 8.3858 0.025 . 1 . . . . . 35 R HN . 53015 2 82 . 1 . 1 35 35 ARG C C 13 176.3321 0.05 . 1 . . . . . 35 R CO . 53015 2 83 . 1 . 1 35 35 ARG CA C 13 55.8239 0.1 . 1 . . . . . 35 R CA . 53015 2 84 . 1 . 1 35 35 ARG CB C 13 30.9399 0.2 . 1 . . . . . 35 R CB . 53015 2 85 . 1 . 1 35 35 ARG N N 15 125.7223 0.05 . 1 . . . . . 35 R N . 53015 2 86 . 1 . 1 36 36 ARG H H 1 8.3747 0.025 . 1 . . . . . 36 R HN . 53015 2 87 . 1 . 1 36 36 ARG C C 13 176.3734 0.05 . 1 . . . . . 36 R CO . 53015 2 88 . 1 . 1 36 36 ARG CA C 13 55.7986 0.1 . 1 . . . . . 36 R CA . 53015 2 89 . 1 . 1 36 36 ARG CB C 13 31.0719 0.2 . 1 . . . . . 36 R CB . 53015 2 90 . 1 . 1 36 36 ARG N N 15 123.0607 0.05 . 1 . . . . . 36 R N . 53015 2 91 . 1 . 1 37 37 ARG H H 1 8.3286 0.025 . 1 . . . . . 37 R HN . 53015 2 92 . 1 . 1 37 37 ARG C C 13 176.3793 0.05 . 1 . . . . . 37 R CO . 53015 2 93 . 1 . 1 37 37 ARG CA C 13 56.0397 0.1 . 1 . . . . . 37 R CA . 53015 2 94 . 1 . 1 37 37 ARG CB C 13 31.1378 0.2 . 1 . . . . . 37 R CB . 53015 2 95 . 1 . 1 37 37 ARG N N 15 122.9783 0.05 . 1 . . . . . 37 R N . 53015 2 96 . 1 . 1 38 38 TYR H H 1 8.3075 0.025 . 1 . . . . . 38 Y HN . 53015 2 97 . 1 . 1 38 38 TYR C C 13 175.7512 0.05 . 1 . . . . . 38 Y CO . 53015 2 98 . 1 . 1 38 38 TYR CA C 13 58.0934 0.1 . 1 . . . . . 38 Y CA . 53015 2 99 . 1 . 1 38 38 TYR CB C 13 39.0463 0.2 . 1 . . . . . 38 Y CB . 53015 2 100 . 1 . 1 38 38 TYR N N 15 121.5089 0.05 . 1 . . . . . 38 Y N . 53015 2 101 . 1 . 1 39 39 SER H H 1 8.1383 0.025 . 1 . . . . . 39 S HN . 53015 2 102 . 1 . 1 39 39 SER C C 13 174.1366 0.05 . 1 . . . . . 39 S CO . 53015 2 103 . 1 . 1 39 39 SER CA C 13 58.2336 0.1 . 1 . . . . . 39 S CA . 53015 2 104 . 1 . 1 39 39 SER CB C 13 64.1160 0.2 . 1 . . . . . 39 S CB . 53015 2 105 . 1 . 1 39 39 SER N N 15 116.4714 0.05 . 1 . . . . . 39 S N . 53015 2 106 . 1 . 1 40 40 ASP H H 1 8.3409 0.025 . 1 . . . . . 40 D HN . 53015 2 107 . 1 . 1 40 40 ASP C C 13 176.0171 0.05 . 1 . . . . . 40 D CO . 53015 2 108 . 1 . 1 40 40 ASP CA C 13 54.2619 0.1 . 1 . . . . . 40 D CA . 53015 2 109 . 1 . 1 40 40 ASP CB C 13 40.6149 0.2 . 1 . . . . . 40 D CB . 53015 2 110 . 1 . 1 40 40 ASP N N 15 122.4068 0.05 . 1 . . . . . 40 D N . 53015 2 111 . 1 . 1 41 41 LYS H H 1 8.0778 0.025 . 1 . . . . . 41 K HN . 53015 2 112 . 1 . 1 41 41 LYS C C 13 176.1703 0.05 . 1 . . . . . 41 K CO . 53015 2 113 . 1 . 1 41 41 LYS CA C 13 56.6414 0.1 . 1 . . . . . 41 K CA . 53015 2 114 . 1 . 1 41 41 LYS CB C 13 32.9691 0.2 . 1 . . . . . 41 K CB . 53015 2 115 . 1 . 1 41 41 LYS N N 15 120.2800 0.05 . 1 . . . . . 41 K N . 53015 2 116 . 1 . 1 42 42 TYR H H 1 8.0238 0.025 . 1 . . . . . 42 Y HN . 53015 2 117 . 1 . 1 42 42 TYR C C 13 175.2774 0.05 . 1 . . . . . 42 Y CO . 53015 2 118 . 1 . 1 42 42 TYR CA C 13 57.7187 0.1 . 1 . . . . . 42 Y CA . 53015 2 119 . 1 . 1 42 42 TYR CB C 13 38.8476 0.2 . 1 . . . . . 42 Y CB . 53015 2 120 . 1 . 1 42 42 TYR N N 15 119.8324 0.05 . 1 . . . . . 42 Y N . 53015 2 121 . 1 . 1 43 43 ASN H H 1 8.2111 0.025 . 1 . . . . . 43 N HN . 53015 2 122 . 1 . 1 43 43 ASN C C 13 174.2571 0.05 . 1 . . . . . 43 N CO . 53015 2 123 . 1 . 1 43 43 ASN CA C 13 53.1048 0.1 . 1 . . . . . 43 N CA . 53015 2 124 . 1 . 1 43 43 ASN CB C 13 39.1149 0.2 . 1 . . . . . 43 N CB . 53015 2 125 . 1 . 1 43 43 ASN N N 15 120.5764 0.05 . 1 . . . . . 43 N N . 53015 2 126 . 1 . 1 44 44 VAL H H 1 7.9268 0.025 . 1 . . . . . 44 V HN . 53015 2 127 . 1 . 1 44 44 VAL C C 13 176.2403 0.05 . 1 . . . . . 44 V CO . 53015 2 128 . 1 . 1 44 44 VAL CA C 13 59.9418 0.1 . 1 . . . . . 44 V CA . 53015 2 129 . 1 . 1 44 44 VAL CB C 13 32.7733 0.2 . 1 . . . . . 44 V CB . 53015 2 130 . 1 . 1 44 44 VAL N N 15 121.5222 0.05 . 1 . . . . . 44 V N . 53015 2 131 . 1 . 1 45 45 PRO C C 13 177.0476 0.05 . 1 . . . . . 45 P CO . 53015 2 132 . 1 . 1 45 45 PRO CA C 13 63.0329 0.1 . 1 . . . . . 45 P CA . 53015 2 133 . 1 . 1 45 45 PRO CB C 13 32.2645 0.2 . 1 . . . . . 45 P CB . 53015 2 134 . 1 . 1 46 46 ILE H H 1 8.2362 0.025 . 1 . . . . . 46 I HN . 53015 2 135 . 1 . 1 46 46 ILE C C 13 176.3372 0.05 . 1 . . . . . 46 I CO . 53015 2 136 . 1 . 1 46 46 ILE CA C 13 61.3220 0.1 . 1 . . . . . 46 I CA . 53015 2 137 . 1 . 1 46 46 ILE CB C 13 39.0014 0.2 . 1 . . . . . 46 I CB . 53015 2 138 . 1 . 1 46 46 ILE N N 15 121.4084 0.05 . 1 . . . . . 46 I N . 53015 2 139 . 1 . 1 47 47 SER H H 1 8.4010 0.025 . 1 . . . . . 47 S HN . 53015 2 140 . 1 . 1 47 47 SER C C 13 174.8766 0.05 . 1 . . . . . 47 S CO . 53015 2 141 . 1 . 1 47 47 SER CA C 13 57.9886 0.1 . 1 . . . . . 47 S CA . 53015 2 142 . 1 . 1 47 47 SER CB C 13 64.2487 0.2 . 1 . . . . . 47 S CB . 53015 2 143 . 1 . 1 47 47 SER N N 15 119.6051 0.05 . 1 . . . . . 47 S N . 53015 2 144 . 1 . 1 48 48 SER H H 1 8.4451 0.025 . 1 . . . . . 48 S HN . 53015 2 145 . 1 . 1 48 48 SER C C 13 174.7120 0.05 . 1 . . . . . 48 S CO . 53015 2 146 . 1 . 1 48 48 SER CA C 13 58.9817 0.1 . 1 . . . . . 48 S CA . 53015 2 147 . 1 . 1 48 48 SER CB C 13 63.6314 0.2 . 1 . . . . . 48 S CB . 53015 2 148 . 1 . 1 48 48 SER N N 15 118.3381 0.05 . 1 . . . . . 48 S N . 53015 2 149 . 1 . 1 49 49 ALA H H 1 8.2596 0.025 . 1 . . . . . 49 A HN . 53015 2 150 . 1 . 1 49 49 ALA C C 13 177.7351 0.05 . 1 . . . . . 49 A CO . 53015 2 151 . 1 . 1 49 49 ALA CA C 13 53.1642 0.1 . 1 . . . . . 49 A CA . 53015 2 152 . 1 . 1 49 49 ALA CB C 13 19.1805 0.2 . 1 . . . . . 49 A CB . 53015 2 153 . 1 . 1 49 49 ALA N N 15 125.2372 0.05 . 1 . . . . . 49 A N . 53015 2 154 . 1 . 1 50 50 ASP H H 1 8.1599 0.025 . 1 . . . . . 50 D HN . 53015 2 155 . 1 . 1 50 50 ASP C C 13 176.2695 0.05 . 1 . . . . . 50 D CO . 53015 2 156 . 1 . 1 50 50 ASP CA C 13 54.3219 0.1 . 1 . . . . . 50 D CA . 53015 2 157 . 1 . 1 50 50 ASP CB C 13 40.2371 0.2 . 1 . . . . . 50 D CB . 53015 2 158 . 1 . 1 50 50 ASP N N 15 118.6160 0.05 . 1 . . . . . 50 D N . 53015 2 159 . 1 . 1 51 51 ILE H H 1 7.8793 0.025 . 1 . . . . . 51 I HN . 53015 2 160 . 1 . 1 51 51 ILE C C 13 176.4625 0.05 . 1 . . . . . 51 I CO . 53015 2 161 . 1 . 1 51 51 ILE CA C 13 61.8783 0.1 . 1 . . . . . 51 I CA . 53015 2 162 . 1 . 1 51 51 ILE CB C 13 38.7506 0.2 . 1 . . . . . 51 I CB . 53015 2 163 . 1 . 1 51 51 ILE N N 15 120.6410 0.05 . 1 . . . . . 51 I N . 53015 2 164 . 1 . 1 52 52 ALA H H 1 8.2271 0.025 . 1 . . . . . 52 A HN . 53015 2 165 . 1 . 1 52 52 ALA C C 13 178.2310 0.05 . 1 . . . . . 52 A CO . 53015 2 166 . 1 . 1 52 52 ALA CA C 13 53.1859 0.1 . 1 . . . . . 52 A CA . 53015 2 167 . 1 . 1 52 52 ALA CB C 13 19.0324 0.2 . 1 . . . . . 52 A CB . 53015 2 168 . 1 . 1 52 52 ALA N N 15 126.2209 0.05 . 1 . . . . . 52 A N . 53015 2 169 . 1 . 1 53 53 GLN H H 1 8.1836 0.025 . 1 . . . . . 53 Q HN . 53015 2 170 . 1 . 1 53 53 GLN C C 13 176.1869 0.05 . 1 . . . . . 53 Q CO . 53015 2 171 . 1 . 1 53 53 GLN CA C 13 56.3948 0.1 . 1 . . . . . 53 Q CA . 53015 2 172 . 1 . 1 53 53 GLN CB C 13 29.3152 0.2 . 1 . . . . . 53 Q CB . 53015 2 173 . 1 . 1 53 53 GLN N N 15 118.4186 0.05 . 1 . . . . . 53 Q N . 53015 2 174 . 1 . 1 54 54 ASN H H 1 8.2785 0.025 . 1 . . . . . 54 N HN . 53015 2 175 . 1 . 1 54 54 ASN C C 13 175.5576 0.05 . 1 . . . . . 54 N CO . 53015 2 176 . 1 . 1 54 54 ASN CA C 13 53.7094 0.1 . 1 . . . . . 54 N CA . 53015 2 177 . 1 . 1 54 54 ASN CB C 13 38.8839 0.2 . 1 . . . . . 54 N CB . 53015 2 178 . 1 . 1 54 54 ASN N N 15 118.8427 0.05 . 1 . . . . . 54 N N . 53015 2 179 . 1 . 1 55 55 GLN H H 1 8.3043 0.025 . 1 . . . . . 55 Q HN . 53015 2 180 . 1 . 1 55 55 GLN C C 13 176.4033 0.05 . 1 . . . . . 55 Q CO . 53015 2 181 . 1 . 1 55 55 GLN CA C 13 56.6770 0.1 . 1 . . . . . 55 Q CA . 53015 2 182 . 1 . 1 55 55 GLN CB C 13 29.2763 0.2 . 1 . . . . . 55 Q CB . 53015 2 183 . 1 . 1 55 55 GLN N N 15 119.9884 0.05 . 1 . . . . . 55 Q N . 53015 2 184 . 1 . 1 56 56 GLU H H 1 8.2739 0.025 . 1 . . . . . 56 E HN . 53015 2 185 . 1 . 1 56 56 GLU C C 13 176.2916 0.05 . 1 . . . . . 56 E CO . 53015 2 186 . 1 . 1 56 56 GLU CA C 13 56.8668 0.1 . 1 . . . . . 56 E CA . 53015 2 187 . 1 . 1 56 56 GLU CB C 13 29.2449 0.2 . 1 . . . . . 56 E CB . 53015 2 188 . 1 . 1 56 56 GLU N N 15 120.3376 0.05 . 1 . . . . . 56 E N . 53015 2 189 . 1 . 1 57 57 PHE H H 1 8.0179 0.025 . 1 . . . . . 57 F HN . 53015 2 190 . 1 . 1 57 57 PHE C C 13 176.2397 0.05 . 1 . . . . . 57 F CO . 53015 2 191 . 1 . 1 57 57 PHE CA C 13 58.4218 0.1 . 1 . . . . . 57 F CA . 53015 2 192 . 1 . 1 57 57 PHE CB C 13 39.5442 0.2 . 1 . . . . . 57 F CB . 53015 2 193 . 1 . 1 57 57 PHE N N 15 119.8427 0.05 . 1 . . . . . 57 F N . 53015 2 194 . 1 . 1 58 58 TYR H H 1 7.9005 0.025 . 1 . . . . . 58 Y HN . 53015 2 195 . 1 . 1 58 58 TYR C C 13 175.9101 0.05 . 1 . . . . . 58 Y CO . 53015 2 196 . 1 . 1 58 58 TYR CA C 13 58.2941 0.1 . 1 . . . . . 58 Y CA . 53015 2 197 . 1 . 1 58 58 TYR CB C 13 38.7061 0.2 . 1 . . . . . 58 Y CB . 53015 2 198 . 1 . 1 58 58 TYR N N 15 119.9311 0.05 . 1 . . . . . 58 Y N . 53015 2 199 . 1 . 1 59 59 LYS H H 1 8.0319 0.025 . 1 . . . . . 59 K HN . 53015 2 200 . 1 . 1 59 59 LYS C C 13 176.3840 0.05 . 1 . . . . . 59 K CO . 53015 2 201 . 1 . 1 59 59 LYS CA C 13 57.0257 0.1 . 1 . . . . . 59 K CA . 53015 2 202 . 1 . 1 59 59 LYS CB C 13 32.9334 0.2 . 1 . . . . . 59 K CB . 53015 2 203 . 1 . 1 59 59 LYS N N 15 122.0260 0.05 . 1 . . . . . 59 K N . 53015 2 204 . 1 . 1 60 60 ASN H H 1 8.1521 0.025 . 1 . . . . . 60 N HN . 53015 2 205 . 1 . 1 60 60 ASN C C 13 174.9875 0.05 . 1 . . . . . 60 N CO . 53015 2 206 . 1 . 1 60 60 ASN CA C 13 53.4705 0.1 . 1 . . . . . 60 N CA . 53015 2 207 . 1 . 1 60 60 ASN CB C 13 38.9644 0.2 . 1 . . . . . 60 N CB . 53015 2 208 . 1 . 1 60 60 ASN N N 15 118.3479 0.05 . 1 . . . . . 60 N N . 53015 2 209 . 1 . 1 61 61 ALA H H 1 8.1277 0.025 . 1 . . . . . 61 A HN . 53015 2 210 . 1 . 1 61 61 ALA C C 13 177.7016 0.05 . 1 . . . . . 61 A CO . 53015 2 211 . 1 . 1 61 61 ALA CA C 13 52.9643 0.1 . 1 . . . . . 61 A CA . 53015 2 212 . 1 . 1 61 61 ALA CB C 13 19.2841 0.2 . 1 . . . . . 61 A CB . 53015 2 213 . 1 . 1 61 61 ALA N N 15 123.5687 0.05 . 1 . . . . . 61 A N . 53015 2 214 . 1 . 1 62 62 GLU H H 1 8.2405 0.025 . 1 . . . . . 62 E HN . 53015 2 215 . 1 . 1 62 62 GLU C C 13 176.3767 0.05 . 1 . . . . . 62 E CO . 53015 2 216 . 1 . 1 62 62 GLU CA C 13 56.4628 0.1 . 1 . . . . . 62 E CA . 53015 2 217 . 1 . 1 62 62 GLU CB C 13 29.7335 0.2 . 1 . . . . . 62 E CB . 53015 2 218 . 1 . 1 62 62 GLU N N 15 119.1156 0.05 . 1 . . . . . 62 E N . 53015 2 219 . 1 . 1 63 63 VAL H H 1 8.0268 0.025 . 1 . . . . . 63 V HN . 53015 2 220 . 1 . 1 63 63 VAL C C 13 176.0262 0.05 . 1 . . . . . 63 V CO . 53015 2 221 . 1 . 1 63 63 VAL CA C 13 62.3411 0.1 . 1 . . . . . 63 V CA . 53015 2 222 . 1 . 1 63 63 VAL CB C 13 32.9392 0.2 . 1 . . . . . 63 V CB . 53015 2 223 . 1 . 1 63 63 VAL N N 15 120.6025 0.05 . 1 . . . . . 63 V N . 53015 2 224 . 1 . 1 66 66 PRO C C 13 174.2633 0.05 . 1 . . . . . 66 P CO . 53015 2 225 . 1 . 1 66 66 PRO CA C 13 62.8056 0.1 . 1 . . . . . 66 P CA . 53015 2 226 . 1 . 1 66 66 PRO CB C 13 28.7292 0.2 . 1 . . . . . 66 P CB . 53015 2 227 . 1 . 1 67 67 PHE H H 1 7.2753 0.025 . 1 . . . . . 67 F HN . 53015 2 228 . 1 . 1 67 67 PHE C C 13 175.4927 0.05 . 1 . . . . . 67 F CO . 53015 2 229 . 1 . 1 67 67 PHE CA C 13 55.1053 0.1 . 1 . . . . . 67 F CA . 53015 2 230 . 1 . 1 67 67 PHE CB C 13 43.0939 0.2 . 1 . . . . . 67 F CB . 53015 2 231 . 1 . 1 67 67 PHE N N 15 118.5177 0.05 . 1 . . . . . 67 F N . 53015 2 232 . 1 . 1 68 68 THR H H 1 8.7445 0.025 . 1 . . . . . 68 T HN . 53015 2 233 . 1 . 1 68 68 THR C C 13 176.1449 0.05 . 1 . . . . . 68 T CO . 53015 2 234 . 1 . 1 68 68 THR CA C 13 60.7836 0.1 . 1 . . . . . 68 T CA . 53015 2 235 . 1 . 1 68 68 THR CB C 13 70.4268 0.2 . 1 . . . . . 68 T CB . 53015 2 236 . 1 . 1 68 68 THR N N 15 112.6278 0.05 . 1 . . . . . 68 T N . 53015 2 237 . 1 . 1 69 69 TYR H H 1 8.9085 0.025 . 1 . . . . . 69 Y HN . 53015 2 238 . 1 . 1 69 69 TYR C C 13 178.5028 0.05 . 1 . . . . . 69 Y CO . 53015 2 239 . 1 . 1 69 69 TYR CA C 13 63.5490 0.1 . 1 . . . . . 69 Y CA . 53015 2 240 . 1 . 1 69 69 TYR CB C 13 38.4582 0.2 . 1 . . . . . 69 Y CB . 53015 2 241 . 1 . 1 69 69 TYR N N 15 120.2007 0.05 . 1 . . . . . 69 Y N . 53015 2 242 . 1 . 1 70 70 ALA H H 1 8.9788 0.025 . 1 . . . . . 70 A HN . 53015 2 243 . 1 . 1 70 70 ALA C C 13 179.2244 0.05 . 1 . . . . . 70 A CO . 53015 2 244 . 1 . 1 70 70 ALA CA C 13 56.1346 0.1 . 1 . . . . . 70 A CA . 53015 2 245 . 1 . 1 70 70 ALA CB C 13 17.3185 0.2 . 1 . . . . . 70 A CB . 53015 2 246 . 1 . 1 70 70 ALA N N 15 118.8640 0.05 . 1 . . . . . 70 A N . 53015 2 247 . 1 . 1 71 71 SER H H 1 7.9395 0.025 . 1 . . . . . 71 S HN . 53015 2 248 . 1 . 1 71 71 SER CA C 13 61.9679 0.1 . 1 . . . . . 71 S CA . 53015 2 249 . 1 . 1 71 71 SER CB C 13 62.9573 0.2 . 1 . . . . . 71 S CB . 53015 2 250 . 1 . 1 71 71 SER N N 15 113.4852 0.05 . 1 . . . . . 71 S N . 53015 2 251 . 1 . 1 72 72 LEU H H 1 7.8446 0.025 . 1 . . . . . 72 L HN . 53015 2 252 . 1 . 1 72 72 LEU C C 13 176.9155 0.05 . 1 . . . . . 72 L CO . 53015 2 253 . 1 . 1 72 72 LEU CA C 13 57.8201 0.1 . 1 . . . . . 72 L CA . 53015 2 254 . 1 . 1 72 72 LEU CB C 13 42.9473 0.2 . 1 . . . . . 72 L CB . 53015 2 255 . 1 . 1 72 72 LEU N N 15 123.8061 0.05 . 1 . . . . . 72 L N . 53015 2 256 . 1 . 1 73 73 ILE H H 1 8.6339 0.025 . 1 . . . . . 73 I HN . 53015 2 257 . 1 . 1 73 73 ILE C C 13 177.2056 0.05 . 1 . . . . . 73 I CO . 53015 2 258 . 1 . 1 73 73 ILE CA C 13 65.9707 0.1 . 1 . . . . . 73 I CA . 53015 2 259 . 1 . 1 73 73 ILE CB C 13 38.2900 0.2 . 1 . . . . . 73 I CB . 53015 2 260 . 1 . 1 73 73 ILE N N 15 118.2734 0.05 . 1 . . . . . 73 I N . 53015 2 261 . 1 . 1 74 74 ARG H H 1 7.8387 0.025 . 1 . . . . . 74 R HN . 53015 2 262 . 1 . 1 74 74 ARG C C 13 176.5350 0.05 . 1 . . . . . 74 R CO . 53015 2 263 . 1 . 1 74 74 ARG CA C 13 60.4052 0.1 . 1 . . . . . 74 R CA . 53015 2 264 . 1 . 1 74 74 ARG CB C 13 30.3601 0.2 . 1 . . . . . 74 R CB . 53015 2 265 . 1 . 1 74 74 ARG N N 15 116.3056 0.05 . 1 . . . . . 74 R N . 53015 2 266 . 1 . 1 75 75 GLN H H 1 7.6281 0.025 . 1 . . . . . 75 Q HN . 53015 2 267 . 1 . 1 75 75 GLN C C 13 176.6887 0.05 . 1 . . . . . 75 Q CO . 53015 2 268 . 1 . 1 75 75 GLN CA C 13 59.0559 0.1 . 1 . . . . . 75 Q CA . 53015 2 269 . 1 . 1 75 75 GLN CB C 13 28.0148 0.2 . 1 . . . . . 75 Q CB . 53015 2 270 . 1 . 1 75 75 GLN N N 15 118.3261 0.05 . 1 . . . . . 75 Q N . 53015 2 271 . 1 . 1 76 76 ALA H H 1 7.3909 0.025 . 1 . . . . . 76 A HN . 53015 2 272 . 1 . 1 76 76 ALA C C 13 179.9639 0.05 . 1 . . . . . 76 A CO . 53015 2 273 . 1 . 1 76 76 ALA CA C 13 54.7951 0.1 . 1 . . . . . 76 A CA . 53015 2 274 . 1 . 1 76 76 ALA CB C 13 16.5368 0.2 . 1 . . . . . 76 A CB . 53015 2 275 . 1 . 1 76 76 ALA N N 15 120.5700 0.05 . 1 . . . . . 76 A N . 53015 2 276 . 1 . 1 77 77 ILE H H 1 7.6417 0.025 . 1 . . . . . 77 I HN . 53015 2 277 . 1 . 1 77 77 ILE C C 13 179.7370 0.05 . 1 . . . . . 77 I CO . 53015 2 278 . 1 . 1 77 77 ILE CA C 13 65.7124 0.1 . 1 . . . . . 77 I CA . 53015 2 279 . 1 . 1 77 77 ILE CB C 13 38.4784 0.2 . 1 . . . . . 77 I CB . 53015 2 280 . 1 . 1 77 77 ILE N N 15 115.2441 0.05 . 1 . . . . . 77 I N . 53015 2 281 . 1 . 1 78 78 LEU H H 1 8.7057 0.025 . 1 . . . . . 78 L HN . 53015 2 282 . 1 . 1 78 78 LEU C C 13 178.5430 0.05 . 1 . . . . . 78 L CO . 53015 2 283 . 1 . 1 78 78 LEU CA C 13 57.6553 0.1 . 1 . . . . . 78 L CA . 53015 2 284 . 1 . 1 78 78 LEU CB C 13 41.1261 0.2 . 1 . . . . . 78 L CB . 53015 2 285 . 1 . 1 78 78 LEU N N 15 120.2433 0.05 . 1 . . . . . 78 L N . 53015 2 286 . 1 . 1 79 79 GLU H H 1 7.7192 0.025 . 1 . . . . . 79 E HN . 53015 2 287 . 1 . 1 79 79 GLU C C 13 176.7707 0.05 . 1 . . . . . 79 E CO . 53015 2 288 . 1 . 1 79 79 GLU CA C 13 56.7007 0.1 . 1 . . . . . 79 E CA . 53015 2 289 . 1 . 1 79 79 GLU CB C 13 29.4316 0.2 . 1 . . . . . 79 E CB . 53015 2 290 . 1 . 1 79 79 GLU N N 15 116.0455 0.05 . 1 . . . . . 79 E N . 53015 2 291 . 1 . 1 80 80 SER H H 1 7.5604 0.025 . 1 . . . . . 80 S HN . 53015 2 292 . 1 . 1 80 80 SER C C 13 174.6080 0.05 . 1 . . . . . 80 S CO . 53015 2 293 . 1 . 1 80 80 SER CA C 13 57.4618 0.1 . 1 . . . . . 80 S CA . 53015 2 294 . 1 . 1 80 80 SER CB C 13 63.8093 0.2 . 1 . . . . . 80 S CB . 53015 2 295 . 1 . 1 80 80 SER N N 15 118.6501 0.05 . 1 . . . . . 80 S N . 53015 2 296 . 1 . 1 93 93 TRP CA C 13 57.9198 0.1 . 1 . . . . . 93 W CA . 53015 2 297 . 1 . 1 93 93 TRP CB C 13 29.5025 0.2 . 1 . . . . . 93 W CB . 53015 2 298 . 1 . 1 94 94 PHE H H 1 8.5327 0.025 . 1 . . . . . 94 F HN . 53015 2 299 . 1 . 1 94 94 PHE C C 13 178.0564 0.05 . 1 . . . . . 94 F CO . 53015 2 300 . 1 . 1 94 94 PHE CA C 13 63.3958 0.1 . 1 . . . . . 94 F CA . 53015 2 301 . 1 . 1 94 94 PHE CB C 13 40.3611 0.2 . 1 . . . . . 94 F CB . 53015 2 302 . 1 . 1 94 94 PHE N N 15 118.5237 0.05 . 1 . . . . . 94 F N . 53015 2 303 . 1 . 1 95 95 THR H H 1 8.1070 0.025 . 1 . . . . . 95 T HN . 53015 2 304 . 1 . 1 95 95 THR C C 13 176.2979 0.05 . 1 . . . . . 95 T CO . 53015 2 305 . 1 . 1 95 95 THR CA C 13 65.1761 0.1 . 1 . . . . . 95 T CA . 53015 2 306 . 1 . 1 95 95 THR CB C 13 68.9959 0.2 . 1 . . . . . 95 T CB . 53015 2 307 . 1 . 1 95 95 THR N N 15 106.4930 0.05 . 1 . . . . . 95 T N . 53015 2 308 . 1 . 1 96 96 ARG H H 1 8.0732 0.025 . 1 . . . . . 96 R HN . 53015 2 309 . 1 . 1 96 96 ARG C C 13 178.6781 0.05 . 1 . . . . . 96 R CO . 53015 2 310 . 1 . 1 96 96 ARG CA C 13 58.6621 0.1 . 1 . . . . . 96 R CA . 53015 2 311 . 1 . 1 96 96 ARG CB C 13 30.6311 0.2 . 1 . . . . . 96 R CB . 53015 2 312 . 1 . 1 96 96 ARG N N 15 122.1147 0.05 . 1 . . . . . 96 R N . 53015 2 313 . 1 . 1 97 97 MET H H 1 7.5631 0.025 . 1 . . . . . 97 M HN . 53015 2 314 . 1 . 1 97 97 MET C C 13 176.2495 0.05 . 1 . . . . . 97 M CO . 53015 2 315 . 1 . 1 97 97 MET CA C 13 55.4854 0.1 . 1 . . . . . 97 M CA . 53015 2 316 . 1 . 1 97 97 MET CB C 13 32.0404 0.2 . 1 . . . . . 97 M CB . 53015 2 317 . 1 . 1 97 97 MET N N 15 115.1289 0.05 . 1 . . . . . 97 M N . 53015 2 318 . 1 . 1 98 98 PHE CA C 13 55.8241 0.1 . 1 . . . . . 98 F CA . 53015 2 319 . 1 . 1 98 98 PHE CB C 13 41.1734 0.2 . 1 . . . . . 98 F CB . 53015 2 320 . 1 . 1 99 99 ALA H H 1 8.4947 0.025 . 1 . . . . . 99 A HN . 53015 2 321 . 1 . 1 99 99 ALA C C 13 179.5411 0.05 . 1 . . . . . 99 A CO . 53015 2 322 . 1 . 1 99 99 ALA CA C 13 54.9442 0.1 . 1 . . . . . 99 A CA . 53015 2 323 . 1 . 1 99 99 ALA CB C 13 17.8279 0.2 . 1 . . . . . 99 A CB . 53015 2 324 . 1 . 1 99 99 ALA N N 15 127.2247 0.05 . 1 . . . . . 99 A N . 53015 2 325 . 1 . 1 100 100 TYR H H 1 9.1960 0.025 . 1 . . . . . 100 Y HN . 53015 2 326 . 1 . 1 100 100 TYR C C 13 176.4478 0.05 . 1 . . . . . 100 Y CO . 53015 2 327 . 1 . 1 100 100 TYR CA C 13 61.3956 0.1 . 1 . . . . . 100 Y CA . 53015 2 328 . 1 . 1 100 100 TYR CB C 13 40.1975 0.2 . 1 . . . . . 100 Y CB . 53015 2 329 . 1 . 1 100 100 TYR N N 15 117.2909 0.05 . 1 . . . . . 100 Y N . 53015 2 330 . 1 . 1 103 103 ARG CA C 13 55.8216 0.1 . 1 . . . . . 103 R CA . 53015 2 331 . 1 . 1 103 103 ARG CB C 13 32.2020 0.2 . 1 . . . . . 103 R CB . 53015 2 332 . 1 . 1 104 104 ASN H H 1 8.4461 0.025 . 1 . . . . . 104 N HN . 53015 2 333 . 1 . 1 104 104 ASN C C 13 174.9663 0.05 . 1 . . . . . 104 N CO . 53015 2 334 . 1 . 1 104 104 ASN CA C 13 53.7527 0.1 . 1 . . . . . 104 N CA . 53015 2 335 . 1 . 1 104 104 ASN CB C 13 38.4424 0.2 . 1 . . . . . 104 N CB . 53015 2 336 . 1 . 1 104 104 ASN N N 15 117.0711 0.05 . 1 . . . . . 104 N N . 53015 2 337 . 1 . 1 105 105 ALA H H 1 8.1194 0.025 . 1 . . . . . 105 A HN . 53015 2 338 . 1 . 1 105 105 ALA C C 13 177.6087 0.05 . 1 . . . . . 105 A CO . 53015 2 339 . 1 . 1 105 105 ALA CA C 13 53.6901 0.1 . 1 . . . . . 105 A CA . 53015 2 340 . 1 . 1 105 105 ALA CB C 13 19.3989 0.2 . 1 . . . . . 105 A CB . 53015 2 341 . 1 . 1 105 105 ALA N N 15 121.9052 0.05 . 1 . . . . . 105 A N . 53015 2 342 . 1 . 1 106 106 ALA H H 1 8.3515 0.025 . 1 . . . . . 106 A HN . 53015 2 343 . 1 . 1 106 106 ALA C C 13 176.2144 0.05 . 1 . . . . . 106 A CO . 53015 2 344 . 1 . 1 106 106 ALA CA C 13 54.2218 0.1 . 1 . . . . . 106 A CA . 53015 2 345 . 1 . 1 106 106 ALA CB C 13 18.9121 0.2 . 1 . . . . . 106 A CB . 53015 2 346 . 1 . 1 106 106 ALA N N 15 118.8441 0.05 . 1 . . . . . 106 A N . 53015 2 347 . 1 . 1 107 107 THR H H 1 7.8593 0.025 . 1 . . . . . 107 T HN . 53015 2 348 . 1 . 1 107 107 THR C C 13 179.9067 0.05 . 1 . . . . . 107 T CO . 53015 2 349 . 1 . 1 107 107 THR CA C 13 65.3747 0.1 . 1 . . . . . 107 T CA . 53015 2 350 . 1 . 1 107 107 THR CB C 13 68.8873 0.2 . 1 . . . . . 107 T CB . 53015 2 351 . 1 . 1 107 107 THR N N 15 111.8620 0.05 . 1 . . . . . 107 T N . 53015 2 352 . 1 . 1 108 108 TRP H H 1 7.7768 0.025 . 1 . . . . . 108 W HN . 53015 2 353 . 1 . 1 108 108 TRP C C 13 177.9860 0.05 . 1 . . . . . 108 W CO . 53015 2 354 . 1 . 1 108 108 TRP CA C 13 59.1704 0.1 . 1 . . . . . 108 W CA . 53015 2 355 . 1 . 1 108 108 TRP CB C 13 28.9395 0.2 . 1 . . . . . 108 W CB . 53015 2 356 . 1 . 1 108 108 TRP N N 15 121.4187 0.05 . 1 . . . . . 108 W N . 53015 2 357 . 1 . 1 109 109 LYS CA C 13 60.9411 0.1 . 1 . . . . . 109 K CA . 53015 2 358 . 1 . 1 109 109 LYS CB C 13 31.1367 0.2 . 1 . . . . . 109 K CB . 53015 2 359 . 1 . 1 110 110 ASN H H 1 7.3642 0.025 . 1 . . . . . 110 N HN . 53015 2 360 . 1 . 1 110 110 ASN C C 13 177.3492 0.05 . 1 . . . . . 110 N CO . 53015 2 361 . 1 . 1 110 110 ASN CA C 13 55.9896 0.1 . 1 . . . . . 110 N CA . 53015 2 362 . 1 . 1 110 110 ASN CB C 13 38.2861 0.2 . 1 . . . . . 110 N CB . 53015 2 363 . 1 . 1 110 110 ASN N N 15 117.3422 0.05 . 1 . . . . . 110 N N . 53015 2 364 . 1 . 1 111 111 ALA H H 1 7.4193 0.025 . 1 . . . . . 111 A HN . 53015 2 365 . 1 . 1 111 111 ALA C C 13 181.6143 0.05 . 1 . . . . . 111 A CO . 53015 2 366 . 1 . 1 111 111 ALA CA C 13 55.2785 0.1 . 1 . . . . . 111 A CA . 53015 2 367 . 1 . 1 111 111 ALA CB C 13 17.6670 0.2 . 1 . . . . . 111 A CB . 53015 2 368 . 1 . 1 111 111 ALA N N 15 123.5020 0.05 . 1 . . . . . 111 A N . 53015 2 369 . 1 . 1 117 117 SER CA C 13 60.5778 0.1 . 1 . . . . . 117 S CA . 53015 2 370 . 1 . 1 117 117 SER CB C 13 63.9103 0.2 . 1 . . . . . 117 S CB . 53015 2 371 . 1 . 1 118 118 LEU H H 1 7.6671 0.025 . 1 . . . . . 118 L HN . 53015 2 372 . 1 . 1 118 118 LEU C C 13 177.2613 0.05 . 1 . . . . . 118 L CO . 53015 2 373 . 1 . 1 118 118 LEU CA C 13 56.1062 0.1 . 1 . . . . . 118 L CA . 53015 2 374 . 1 . 1 118 118 LEU CB C 13 44.2394 0.2 . 1 . . . . . 118 L CB . 53015 2 375 . 1 . 1 118 118 LEU N N 15 119.0575 0.05 . 1 . . . . . 118 L N . 53015 2 376 . 1 . 1 119 119 HIS H H 1 7.5028 0.025 . 1 . . . . . 119 H HN . 53015 2 377 . 1 . 1 119 119 HIS C C 13 174.1230 0.05 . 1 . . . . . 119 H CO . 53015 2 378 . 1 . 1 119 119 HIS CA C 13 55.6710 0.1 . 1 . . . . . 119 H CA . 53015 2 379 . 1 . 1 119 119 HIS CB C 13 29.4959 0.2 . 1 . . . . . 119 H CB . 53015 2 380 . 1 . 1 119 119 HIS N N 15 115.4766 0.05 . 1 . . . . . 119 H N . 53015 2 381 . 1 . 1 120 120 LYS H H 1 8.5939 0.025 . 1 . . . . . 120 K HN . 53015 2 382 . 1 . 1 120 120 LYS C C 13 177.2114 0.05 . 1 . . . . . 120 K CO . 53015 2 383 . 1 . 1 120 120 LYS CA C 13 57.5875 0.1 . 1 . . . . . 120 K CA . 53015 2 384 . 1 . 1 120 120 LYS CB C 13 31.7219 0.2 . 1 . . . . . 120 K CB . 53015 2 385 . 1 . 1 120 120 LYS N N 15 123.1633 0.05 . 1 . . . . . 120 K N . 53015 2 386 . 1 . 1 130 130 GLY H H 1 7.8155 0.025 . 1 . . . . . 130 G HN . 53015 2 387 . 1 . 1 130 130 GLY C C 13 171.7551 0.05 . 1 . . . . . 130 G CO . 53015 2 388 . 1 . 1 130 130 GLY CA C 13 44.5640 0.1 . 1 . . . . . 130 G CA . 53015 2 389 . 1 . 1 130 130 GLY N N 15 109.4970 0.05 . 1 . . . . . 130 G N . 53015 2 390 . 1 . 1 131 131 ALA H H 1 8.1673 0.025 . 1 . . . . . 131 A HN . 53015 2 391 . 1 . 1 131 131 ALA C C 13 177.0196 0.05 . 1 . . . . . 131 A CO . 53015 2 392 . 1 . 1 131 131 ALA CA C 13 51.8913 0.1 . 1 . . . . . 131 A CA . 53015 2 393 . 1 . 1 131 131 ALA CB C 13 19.2192 0.2 . 1 . . . . . 131 A CB . 53015 2 394 . 1 . 1 131 131 ALA N N 15 124.3664 0.05 . 1 . . . . . 131 A N . 53015 2 395 . 1 . 1 133 133 TRP H H 1 9.0161 0.025 . 1 . . . . . 133 W HN . 53015 2 396 . 1 . 1 133 133 TRP C C 13 175.4020 0.05 . 1 . . . . . 133 W CO . 53015 2 397 . 1 . 1 133 133 TRP CA C 13 56.6657 0.1 . 1 . . . . . 133 W CA . 53015 2 398 . 1 . 1 133 133 TRP CB C 13 31.2446 0.2 . 1 . . . . . 133 W CB . 53015 2 399 . 1 . 1 133 133 TRP N N 15 122.4855 0.05 . 1 . . . . . 133 W N . 53015 2 400 . 1 . 1 134 134 THR H H 1 8.8479 0.025 . 1 . . . . . 134 T HN . 53015 2 401 . 1 . 1 134 134 THR C C 13 173.2193 0.05 . 1 . . . . . 134 T CO . 53015 2 402 . 1 . 1 134 134 THR CA C 13 59.5148 0.1 . 1 . . . . . 134 T CA . 53015 2 403 . 1 . 1 134 134 THR CB C 13 72.5328 0.2 . 1 . . . . . 134 T CB . 53015 2 404 . 1 . 1 134 134 THR N N 15 113.0243 0.05 . 1 . . . . . 134 T N . 53015 2 405 . 1 . 1 135 135 VAL H H 1 8.8849 0.025 . 1 . . . . . 135 V HN . 53015 2 406 . 1 . 1 135 135 VAL C C 13 175.3461 0.05 . 1 . . . . . 135 V CO . 53015 2 407 . 1 . 1 135 135 VAL CA C 13 59.7366 0.1 . 1 . . . . . 135 V CA . 53015 2 408 . 1 . 1 135 135 VAL CB C 13 34.7233 0.2 . 1 . . . . . 135 V CB . 53015 2 409 . 1 . 1 135 135 VAL N N 15 118.9718 0.05 . 1 . . . . . 135 V N . 53015 2 410 . 1 . 1 136 136 ASP H H 1 9.1926 0.025 . 1 . . . . . 136 D HN . 53015 2 411 . 1 . 1 136 136 ASP C C 13 175.9411 0.05 . 1 . . . . . 136 D CO . 53015 2 412 . 1 . 1 136 136 ASP CA C 13 53.3503 0.1 . 1 . . . . . 136 D CA . 53015 2 413 . 1 . 1 136 136 ASP CB C 13 39.9724 0.2 . 1 . . . . . 136 D CB . 53015 2 414 . 1 . 1 136 136 ASP N N 15 126.7116 0.05 . 1 . . . . . 136 D N . 53015 2 415 . 1 . 1 137 137 GLU H H 1 8.5723 0.025 . 1 . . . . . 137 E HN . 53015 2 416 . 1 . 1 137 137 GLU C C 13 177.2139 0.05 . 1 . . . . . 137 E CO . 53015 2 417 . 1 . 1 137 137 GLU CA C 13 57.1849 0.1 . 1 . . . . . 137 E CA . 53015 2 418 . 1 . 1 137 137 GLU CB C 13 29.9845 0.2 . 1 . . . . . 137 E CB . 53015 2 419 . 1 . 1 137 137 GLU N N 15 123.4897 0.05 . 1 . . . . . 137 E N . 53015 2 420 . 1 . 1 138 138 VAL H H 1 7.9868 0.025 . 1 . . . . . 138 V HN . 53015 2 421 . 1 . 1 138 138 VAL C C 13 177.4007 0.05 . 1 . . . . . 138 V CO . 53015 2 422 . 1 . 1 138 138 VAL CA C 13 64.3128 0.1 . 1 . . . . . 138 V CA . 53015 2 423 . 1 . 1 138 138 VAL CB C 13 32.0427 0.2 . 1 . . . . . 138 V CB . 53015 2 424 . 1 . 1 138 138 VAL N N 15 119.9302 0.05 . 1 . . . . . 138 V N . 53015 2 425 . 1 . 1 139 139 GLU H H 1 7.8967 0.025 . 1 . . . . . 139 E HN . 53015 2 426 . 1 . 1 139 139 GLU C C 13 177.1983 0.05 . 1 . . . . . 139 E CO . 53015 2 427 . 1 . 1 139 139 GLU CA C 13 57.1321 0.1 . 1 . . . . . 139 E CA . 53015 2 428 . 1 . 1 139 139 GLU CB C 13 29.1359 0.2 . 1 . . . . . 139 E CB . 53015 2 429 . 1 . 1 139 139 GLU N N 15 120.7460 0.05 . 1 . . . . . 139 E N . 53015 2 430 . 1 . 1 140 140 PHE H H 1 8.2153 0.025 . 1 . . . . . 140 F HN . 53015 2 431 . 1 . 1 140 140 PHE C C 13 176.3268 0.05 . 1 . . . . . 140 F CO . 53015 2 432 . 1 . 1 140 140 PHE CA C 13 59.2400 0.1 . 1 . . . . . 140 F CA . 53015 2 433 . 1 . 1 140 140 PHE CB C 13 39.4579 0.2 . 1 . . . . . 140 F CB . 53015 2 434 . 1 . 1 140 140 PHE N N 15 119.8201 0.05 . 1 . . . . . 140 F N . 53015 2 435 . 1 . 1 141 141 GLN H H 1 8.0015 0.025 . 1 . . . . . 141 Q HN . 53015 2 436 . 1 . 1 141 141 GLN C C 13 176.2326 0.05 . 1 . . . . . 141 Q CO . 53015 2 437 . 1 . 1 141 141 GLN CA C 13 56.4687 0.1 . 1 . . . . . 141 Q CA . 53015 2 438 . 1 . 1 141 141 GLN CB C 13 29.1724 0.2 . 1 . . . . . 141 Q CB . 53015 2 439 . 1 . 1 141 141 GLN N N 15 118.8129 0.05 . 1 . . . . . 141 Q N . 53015 2 440 . 1 . 1 142 142 LYS H H 1 7.9338 0.025 . 1 . . . . . 142 K HN . 53015 2 441 . 1 . 1 142 142 LYS C C 13 176.6339 0.05 . 1 . . . . . 142 K CO . 53015 2 442 . 1 . 1 142 142 LYS CA C 13 57.0027 0.1 . 1 . . . . . 142 K CA . 53015 2 443 . 1 . 1 142 142 LYS CB C 13 33.0179 0.2 . 1 . . . . . 142 K CB . 53015 2 444 . 1 . 1 142 142 LYS N N 15 120.8397 0.05 . 1 . . . . . 142 K N . 53015 2 445 . 1 . 1 143 143 ARG H H 1 8.0126 0.025 . 1 . . . . . 143 R HN . 53015 2 446 . 1 . 1 143 143 ARG C C 13 175.9246 0.05 . 1 . . . . . 143 R CO . 53015 2 447 . 1 . 1 143 143 ARG CA C 13 55.8676 0.1 . 1 . . . . . 143 R CA . 53015 2 448 . 1 . 1 143 143 ARG CB C 13 30.8214 0.2 . 1 . . . . . 143 R CB . 53015 2 449 . 1 . 1 143 143 ARG N N 15 120.9281 0.05 . 1 . . . . . 143 R N . 53015 2 450 . 1 . 1 144 144 ARG H H 1 8.2488 0.025 . 1 . . . . . 144 R HN . 53015 2 451 . 1 . 1 144 144 ARG C C 13 174.1815 0.05 . 1 . . . . . 144 R CO . 53015 2 452 . 1 . 1 144 144 ARG CA C 13 54.1319 0.1 . 1 . . . . . 144 R CA . 53015 2 453 . 1 . 1 144 144 ARG CB C 13 30.1530 0.2 . 1 . . . . . 144 R CB . 53015 2 454 . 1 . 1 144 144 ARG N N 15 123.5120 0.05 . 1 . . . . . 144 R N . 53015 2 455 . 1 . 1 145 145 PRO C C 13 176.7537 0.05 . 1 . . . . . 145 P CO . 53015 2 456 . 1 . 1 145 145 PRO CA C 13 63.1968 0.1 . 1 . . . . . 145 P CA . 53015 2 457 . 1 . 1 145 145 PRO CB C 13 32.1937 0.2 . 1 . . . . . 145 P CB . 53015 2 458 . 1 . 1 146 146 GLN H H 1 8.4543 0.025 . 1 . . . . . 146 Q HN . 53015 2 459 . 1 . 1 146 146 GLN C C 13 175.7779 0.05 . 1 . . . . . 146 Q CO . 53015 2 460 . 1 . 1 146 146 GLN CA C 13 55.7669 0.1 . 1 . . . . . 146 Q CA . 53015 2 461 . 1 . 1 146 146 GLN CB C 13 30.0383 0.2 . 1 . . . . . 146 Q CB . 53015 2 462 . 1 . 1 146 146 GLN N N 15 121.0406 0.05 . 1 . . . . . 146 Q N . 53015 2 463 . 1 . 1 147 147 LYS H H 1 8.3707 0.025 . 1 . . . . . 147 K HN . 53015 2 464 . 1 . 1 147 147 LYS C C 13 176.3807 0.05 . 1 . . . . . 147 K CO . 53015 2 465 . 1 . 1 147 147 LYS CA C 13 56.3607 0.1 . 1 . . . . . 147 K CA . 53015 2 466 . 1 . 1 147 147 LYS CB C 13 33.2614 0.2 . 1 . . . . . 147 K CB . 53015 2 467 . 1 . 1 147 147 LYS N N 15 123.0394 0.05 . 1 . . . . . 147 K N . 53015 2 468 . 1 . 1 148 148 ILE H H 1 8.3073 0.025 . 1 . . . . . 148 I HN . 53015 2 469 . 1 . 1 148 148 ILE C C 13 176.1683 0.05 . 1 . . . . . 148 I CO . 53015 2 470 . 1 . 1 148 148 ILE CA C 13 61.2837 0.1 . 1 . . . . . 148 I CA . 53015 2 471 . 1 . 1 148 148 ILE CB C 13 38.9189 0.2 . 1 . . . . . 148 I CB . 53015 2 472 . 1 . 1 148 148 ILE N N 15 122.9637 0.05 . 1 . . . . . 148 I N . 53015 2 473 . 1 . 1 149 149 SER H H 1 8.3315 0.025 . 1 . . . . . 149 S HN . 53015 2 474 . 1 . 1 149 149 SER C C 13 173.8681 0.05 . 1 . . . . . 149 S CO . 53015 2 475 . 1 . 1 149 149 SER CA C 13 58.2331 0.1 . 1 . . . . . 149 S CA . 53015 2 476 . 1 . 1 149 149 SER CB C 13 64.2220 0.2 . 1 . . . . . 149 S CB . 53015 2 477 . 1 . 1 149 149 SER N N 15 119.7983 0.05 . 1 . . . . . 149 S N . 53015 2 478 . 1 . 1 150 150 GLY H H 1 8.0454 0.025 . 1 . . . . . 150 G HN . 53015 2 479 . 1 . 1 150 150 GLY C C 13 178.5316 0.05 . 1 . . . . . 150 G CO . 53015 2 480 . 1 . 1 150 150 GLY CA C 13 45.9889 0.1 . 1 . . . . . 150 G CA . 53015 2 481 . 1 . 1 150 150 GLY N N 15 116.3829 0.05 . 1 . . . . . 150 G N . 53015 2 stop_ save_