################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25364 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '3D HNCA' . . . 25364 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 4 4 TYR CA C 13 52.4141 0.31 . 1 . . . . 187 TYR CA . 25364 1 2 . 1 1 4 4 TYR CB C 13 37.8905 0.5 . 1 . . . . 187 TYR CB . 25364 1 3 . 1 1 5 5 THR CA C 13 60.9221 0.31 . 1 . 32401 . . 188 THR CA . 25364 1 4 . 1 1 5 5 THR CB C 13 71.3750 0.5 . 1 . 24088 . . 188 THR CB . 25364 1 5 . 1 1 6 6 GLU H H 1 8.9449 0.01 . 1 . 24771 . . 189 GLU H . 25364 1 6 . 1 1 6 6 GLU CA C 13 56.7971 0.31 . 1 . 32734 . . 189 GLU CA . 25364 1 7 . 1 1 6 6 GLU CB C 13 30.9289 0.5 . 1 . 32738 . . 189 GLU CB . 25364 1 8 . 1 1 6 6 GLU N N 15 126.2218 0.12 . 1 . 24773 . . 189 GLU N . 25364 1 9 . 1 1 7 7 ALA H H 1 8.1891 0.01 . 1 . 24756 . . 190 ALA H . 25364 1 10 . 1 1 7 7 ALA CA C 13 51.1782 0.31 . 1 . 27021 . . 190 ALA CA . 25364 1 11 . 1 1 7 7 ALA CB C 13 21.3681 0.5 . 1 . 32728 . . 190 ALA CB . 25364 1 12 . 1 1 7 7 ALA N N 15 128.0213 0.12 . 1 . 24758 . . 190 ALA N . 25364 1 13 . 1 1 8 8 ASP H H 1 9.4872 0.01 . 1 . 24774 . . 191 ASP H . 25364 1 14 . 1 1 8 8 ASP CA C 13 53.1740 0.31 . 1 . 24403 . . 191 ASP CA . 25364 1 15 . 1 1 8 8 ASP CB C 13 42.3874 0.5 . 1 . 23641 . . 191 ASP CB . 25364 1 16 . 1 1 8 8 ASP N N 15 126.1112 0.12 . 1 . 24776 . . 191 ASP N . 25364 1 17 . 1 1 9 9 PRO CA C 13 65.0599 0.31 . 1 . 32634 . . 192 PRO CA . 25364 1 18 . 1 1 9 9 PRO CB C 13 32.1395 0.5 . 1 . 23263 . . 192 PRO CB . 25364 1 19 . 1 1 10 10 ALA H H 1 8.2027 0.01 . 1 . 24807 . . 193 ALA H . 25364 1 20 . 1 1 10 10 ALA CA C 13 55.1445 0.31 . 1 . 35774 . . 193 ALA CA . 25364 1 21 . 1 1 10 10 ALA CB C 13 18.4043 0.5 . 1 . 35801 . . 193 ALA CB . 25364 1 22 . 1 1 10 10 ALA N N 15 122.0317 0.12 . 1 . 24809 . . 193 ALA N . 25364 1 23 . 1 1 11 11 ILE H H 1 7.6507 0.01 . 1 . 24852 . . 194 ILE H . 25364 1 24 . 1 1 11 11 ILE CA C 13 65.9778 0.31 . 1 . 24511 . . 194 ILE CA . 25364 1 25 . 1 1 11 11 ILE CB C 13 38.0103 0.5 . 1 . 35836 . . 194 ILE CB . 25364 1 26 . 1 1 11 11 ILE N N 15 120.2822 0.12 . 1 . 24854 . . 194 ILE N . 25364 1 27 . 1 1 12 12 LEU H H 1 8.2111 0.01 . 1 . 24912 . . 195 LEU H . 25364 1 28 . 1 1 12 12 LEU CA C 13 58.4958 0.31 . 1 . 32794 . . 195 LEU CA . 25364 1 29 . 1 1 12 12 LEU CB C 13 41.4949 0.5 . 1 . 38210 . . 195 LEU CB . 25364 1 30 . 1 1 12 12 LEU N N 15 117.6149 0.12 . 1 . 24914 . . 195 LEU N . 25364 1 31 . 1 1 13 13 SER H H 1 8.1338 0.01 . 1 . 37356 . . 196 SER H . 25364 1 32 . 1 1 13 13 SER CA C 13 61.7043 0.31 . 1 . 37460 . . 196 SER CA . 25364 1 33 . 1 1 13 13 SER CB C 13 62.0094 0.5 . 1 . 37603 . . 196 SER CB . 25364 1 34 . 1 1 13 13 SER N N 15 113.9235 0.12 . 1 . 37358 . . 196 SER N . 25364 1 35 . 1 1 14 14 ARG H H 1 7.4189 0.01 . 1 . 36651 . . 197 ARG H . 25364 1 36 . 1 1 14 14 ARG CA C 13 59.7114 0.31 . 1 . 37906 . . 197 ARG CA . 25364 1 37 . 1 1 14 14 ARG CB C 13 28.8939 0.5 . 1 . 38184 . . 197 ARG CB . 25364 1 38 . 1 1 14 14 ARG N N 15 124.3286 0.12 . 1 . 36653 . . 197 ARG N . 25364 1 39 . 1 1 15 15 ARG H H 1 8.2768 0.01 . 1 . 34761 . . 198 ARG H . 25364 1 40 . 1 1 15 15 ARG CA C 13 58.5913 0.31 . 1 . 38260 . . 198 ARG CA . 25364 1 41 . 1 1 15 15 ARG CB C 13 31.3943 0.5 . 1 . 38281 . . 198 ARG CB . 25364 1 42 . 1 1 15 15 ARG N N 15 117.0627 0.12 . 1 . 34763 . . 198 ARG N . 25364 1 43 . 1 1 16 16 GLN H H 1 8.3058 0.01 . 1 . 34758 . . 199 GLN H . 25364 1 44 . 1 1 16 16 GLN CA C 13 57.9177 0.31 . 1 . 37952 . . 199 GLN CA . 25364 1 45 . 1 1 16 16 GLN CB C 13 28.5255 0.5 . 1 . 38289 . . 199 GLN CB . 25364 1 46 . 1 1 16 16 GLN N N 15 116.5795 0.12 . 1 . 34760 . . 199 GLN N . 25364 1 47 . 1 1 17 17 LYS H H 1 7.4573 0.01 . 1 . 24819 . . 200 LYS H . 25364 1 48 . 1 1 17 17 LYS CA C 13 59.9457 0.31 . 1 . 38271 . . 200 LYS CA . 25364 1 49 . 1 1 17 17 LYS CB C 13 32.3076 0.5 . 1 . 38273 . . 200 LYS CB . 25364 1 50 . 1 1 17 17 LYS N N 15 121.6657 0.12 . 1 . 24821 . . 200 LYS N . 25364 1 51 . 1 1 18 18 GLN H H 1 7.7966 0.01 . 1 . 24240 . . 201 GLN H . 25364 1 52 . 1 1 18 18 GLN CA C 13 59.5599 0.31 . 1 . 38001 . . 201 GLN CA . 25364 1 53 . 1 1 18 18 GLN CB C 13 30.3079 0.5 . 1 . 38003 . . 201 GLN CB . 25364 1 54 . 1 1 18 18 GLN N N 15 116.5533 0.12 . 1 . 24242 . . 201 GLN N . 25364 1 55 . 1 1 19 19 ILE H H 1 8.0865 0.01 . 1 . 24855 . . 202 ILE H . 25364 1 56 . 1 1 19 19 ILE CA C 13 64.0594 0.31 . 1 . 37930 . . 202 ILE CA . 25364 1 57 . 1 1 19 19 ILE CB C 13 37.9730 0.5 . 1 . 37934 . . 202 ILE CB . 25364 1 58 . 1 1 19 19 ILE N N 15 120.1677 0.12 . 1 . 24857 . . 202 ILE N . 25364 1 59 . 1 1 20 20 ASP H H 1 9.5112 0.01 . 1 . 24780 . . 203 ASP H . 25364 1 60 . 1 1 20 20 ASP CA C 13 57.7855 0.31 . 1 . 35842 . . 203 ASP CA . 25364 1 61 . 1 1 20 20 ASP CB C 13 39.5179 0.5 . 1 . 35844 . . 203 ASP CB . 25364 1 62 . 1 1 20 20 ASP N N 15 125.1182 0.12 . 1 . 24782 . . 203 ASP N . 25364 1 63 . 1 1 21 21 TYR H H 1 8.3985 0.01 . 1 . 24873 . . 204 TYR H . 25364 1 64 . 1 1 21 21 TYR CA C 13 59.5745 0.31 . 1 . 35808 . . 204 TYR CA . 25364 1 65 . 1 1 21 21 TYR CB C 13 36.9896 0.5 . 1 . 35830 . . 204 TYR CB . 25364 1 66 . 1 1 21 21 TYR N N 15 119.4598 0.12 . 1 . 24875 . . 204 TYR N . 25364 1 67 . 1 1 22 22 GLY H H 1 7.6300 0.01 . 1 . 23586 . . 205 GLY H . 25364 1 68 . 1 1 22 22 GLY CA C 13 46.7238 0.31 . 1 . 24259 . . 205 GLY CA . 25364 1 69 . 1 1 22 22 GLY N N 15 104.3948 0.12 . 1 . 23588 . . 205 GLY N . 25364 1 70 . 1 1 23 23 LYS CA C 13 58.5007 0.31 . 1 . 35551 . . 206 LYS CA . 25364 1 71 . 1 1 23 23 LYS CB C 13 31.9843 0.5 . 1 . 35559 . . 206 LYS CB . 25364 1 72 . 1 1 24 24 ASN H H 1 7.7386 0.01 . 1 . 24228 . . 207 ASN H . 25364 1 73 . 1 1 24 24 ASN CA C 13 52.3877 0.31 . 1 . 27173 . . 207 ASN CA . 25364 1 74 . 1 1 24 24 ASN CB C 13 37.8905 0.5 . 1 . 30033 . . 207 ASN CB . 25364 1 75 . 1 1 24 24 ASN N N 15 117.5073 0.12 . 1 . 24230 . . 207 ASN N . 25364 1 76 . 1 1 25 25 THR H H 1 7.4796 0.01 . 1 . 24969 . . 208 THR H . 25364 1 77 . 1 1 25 25 THR CA C 13 60.3237 0.31 . 1 . 30127 . . 208 THR CA . 25364 1 78 . 1 1 25 25 THR CB C 13 73.3861 0.5 . 1 . 32220 . . 208 THR CB . 25364 1 79 . 1 1 25 25 THR N N 15 107.6413 0.12 . 1 . 24971 . . 208 THR N . 25364 1 80 . 1 1 26 26 ALA H H 1 8.7937 0.01 . 1 . 24777 . . 209 ALA H . 25364 1 81 . 1 1 26 26 ALA CA C 13 55.0004 0.31 . 1 . 25900 . . 209 ALA CA . 25364 1 82 . 1 1 26 26 ALA CB C 13 18.2474 0.5 . 1 . 32242 . . 209 ALA CB . 25364 1 83 . 1 1 26 26 ALA N N 15 125.3225 0.12 . 1 . 24779 . . 209 ALA N . 25364 1 84 . 1 1 27 27 ALA H H 1 8.1974 0.01 . 1 . 24888 . . 210 ALA H . 25364 1 85 . 1 1 27 27 ALA CA C 13 54.8171 0.31 . 1 . 32232 . . 210 ALA CA . 25364 1 86 . 1 1 27 27 ALA CB C 13 18.4455 0.5 . 1 . 35771 . . 210 ALA CB . 25364 1 87 . 1 1 27 27 ALA N N 15 118.4922 0.12 . 1 . 24890 . . 210 ALA N . 25364 1 88 . 1 1 28 28 TYR H H 1 7.4459 0.01 . 1 . 24237 . . 211 TYR H . 25364 1 89 . 1 1 28 28 TYR CA C 13 62.9997 0.31 . 1 . 24595 . . 211 TYR CA . 25364 1 90 . 1 1 28 28 TYR CB C 13 38.5726 0.5 . 1 . 24235 . . 211 TYR CB . 25364 1 91 . 1 1 28 28 TYR N N 15 117.1374 0.12 . 1 . 24239 . . 211 TYR N . 25364 1 92 . 1 1 29 29 GLU H H 1 7.5212 0.01 . 1 . 23565 . . 212 GLU H . 25364 1 93 . 1 1 29 29 GLU CA C 13 59.1730 0.31 . 1 . 24616 . . 212 GLU CA . 25364 1 94 . 1 1 29 29 GLU CB C 13 29.0709 0.5 . 1 . 24271 . . 212 GLU CB . 25364 1 95 . 1 1 29 29 GLU N N 15 115.6206 0.12 . 1 . 23567 . . 212 GLU N . 25364 1 96 . 1 1 30 30 ARG H H 1 7.6598 0.01 . 1 . 24891 . . 213 ARG H . 25364 1 97 . 1 1 30 30 ARG CA C 13 59.0848 0.31 . 1 . 24616 . . 213 ARG CA . 25364 1 98 . 1 1 30 30 ARG CB C 13 30.3614 0.5 . 1 . 27115 . . 213 ARG CB . 25364 1 99 . 1 1 30 30 ARG N N 15 118.6455 0.12 . 1 . 24893 . . 213 ARG N . 25364 1 100 . 1 1 31 31 TYR H H 1 8.1996 0.01 . 1 . . . . 214 TYR H . 25364 1 101 . 1 1 31 31 TYR CA C 13 60.6051 0.31 . 1 . 24061 . . 214 TYR CA . 25364 1 102 . 1 1 31 31 TYR CB C 13 37.7041 0.5 . 1 . 24067 . . 214 TYR CB . 25364 1 103 . 1 1 31 31 TYR N N 15 118.4657 0.12 . 1 . . . . 214 TYR N . 25364 1 104 . 1 1 32 32 VAL H H 1 7.8788 0.01 . 1 . 24063 . . 215 VAL H . 25364 1 105 . 1 1 32 32 VAL CA C 13 64.9658 0.31 . 1 . 35653 . . 215 VAL CA . 25364 1 106 . 1 1 32 32 VAL CB C 13 31.4586 0.5 . 1 . 38370 . . 215 VAL CB . 25364 1 107 . 1 1 32 32 VAL N N 15 114.2399 0.12 . 1 . 24065 . . 215 VAL N . 25364 1 108 . 1 1 33 33 GLU H H 1 7.2391 0.01 . 1 . 24219 . . 216 GLU H . 25364 1 109 . 1 1 33 33 GLU CA C 13 57.9726 0.31 . 1 . 38353 . . 216 GLU CA . 25364 1 110 . 1 1 33 33 GLU CB C 13 29.9450 0.5 . 1 . 38359 . . 216 GLU CB . 25364 1 111 . 1 1 33 33 GLU N N 15 118.2119 0.12 . 1 . 24221 . . 216 GLU N . 25364 1 112 . 1 1 34 34 MET H H 1 7.9313 0.01 . 1 . 24042 . . 217 MET H . 25364 1 113 . 1 1 34 34 MET CA C 13 56.6815 0.31 . 1 . 32206 . . 217 MET CA . 25364 1 114 . 1 1 34 34 MET CB C 13 33.6404 0.5 . 1 . 23833 . . 217 MET CB . 25364 1 115 . 1 1 34 34 MET N N 15 116.6761 0.12 . 1 . 24044 . . 217 MET N . 25364 1 116 . 1 1 42 42 ARG CA C 13 57.2245 0.31 . 1 . 38546 . . 225 ARG CA . 25364 1 117 . 1 1 42 42 ARG CB C 13 30.5130 0.5 . 1 . 38552 . . 225 ARG CB . 25364 1 118 . 1 1 43 43 ASP H H 1 8.2013 0.01 . 1 . 24333 . . 226 ASP H . 25364 1 119 . 1 1 43 43 ASP CA C 13 54.6610 0.31 . 1 . 38346 . . 226 ASP CA . 25364 1 120 . 1 1 43 43 ASP CB C 13 40.9575 0.5 . 1 . 38350 . . 226 ASP CB . 25364 1 121 . 1 1 43 43 ASP N N 15 118.5023 0.12 . 1 . 24335 . . 226 ASP N . 25364 1 122 . 1 1 44 44 HIS H H 1 7.8503 0.01 . 1 . 24006 . . 227 HIS H . 25364 1 123 . 1 1 44 44 HIS CA C 13 54.6198 0.31 . 1 . 25866 . . 227 HIS CA . 25364 1 124 . 1 1 44 44 HIS CB C 13 29.5119 0.5 . 1 . 35802 . . 227 HIS CB . 25364 1 125 . 1 1 44 44 HIS N N 15 118.8566 0.12 . 1 . 24008 . . 227 HIS N . 25364 1 126 . 1 1 45 45 PRO CA C 13 63.4231 0.31 . 1 . 23950 . . 228 PRO CA . 25364 1 127 . 1 1 45 45 PRO CB C 13 31.6760 0.5 . 1 . 23668 . . 228 PRO CB . 25364 1 128 . 1 1 46 46 ARG H H 1 8.9049 0.01 . 1 . 24789 . . 229 ARG H . 25364 1 129 . 1 1 46 46 ARG CA C 13 55.4613 0.31 . 1 . 23665 . . 229 ARG CA . 25364 1 130 . 1 1 46 46 ARG CB C 13 31.4798 0.5 . 1 . 27045 . . 229 ARG CB . 25364 1 131 . 1 1 46 46 ARG N N 15 124.6376 0.12 . 1 . 24791 . . 229 ARG N . 25364 1 132 . 1 1 47 47 GLU H H 1 8.5616 0.01 . 1 . 24798 . . 230 GLU H . 25364 1 133 . 1 1 47 47 GLU CA C 13 54.1155 0.31 . 1 . 24442 . . 230 GLU CA . 25364 1 134 . 1 1 47 47 GLU CB C 13 29.3572 0.5 . 1 . 23953 . . 230 GLU CB . 25364 1 135 . 1 1 47 47 GLU N N 15 124.1964 0.12 . 1 . 24800 . . 230 GLU N . 25364 1 136 . 1 1 48 48 PRO CA C 13 62.4620 0.31 . 1 . 24004 . . 231 PRO CA . 25364 1 137 . 1 1 48 48 PRO CB C 13 32.5531 0.5 . 1 . 24211 . . 231 PRO CB . 25364 1 138 . 1 1 49 49 ASN H H 1 8.7908 0.01 . 1 . 24882 . . 232 ASN H . 25364 1 139 . 1 1 49 49 ASN CA C 13 52.0822 0.31 . 1 . 34698 . . 232 ASN CA . 25364 1 140 . 1 1 49 49 ASN CB C 13 38.1382 0.5 . 1 . 34692 . . 232 ASN CB . 25364 1 141 . 1 1 49 49 ASN N N 15 119.0230 0.12 . 1 . 24884 . . 232 ASN N . 25364 1 142 . 1 1 50 50 LYS H H 1 8.6485 0.01 . 1 . 23652 . . 233 LYS H . 25364 1 143 . 1 1 50 50 LYS CA C 13 57.7940 0.31 . 1 . 35832 . . 233 LYS CA . 25364 1 144 . 1 1 50 50 LYS CB C 13 32.9855 0.5 . 1 . 35306 . . 233 LYS CB . 25364 1 145 . 1 1 50 50 LYS N N 15 125.0987 0.12 . 1 . 23654 . . 233 LYS N . 25364 1 146 . 1 1 51 51 TYR H H 1 7.4848 0.01 . 1 . 24951 . . 234 TYR H . 25364 1 147 . 1 1 51 51 TYR CA C 13 58.6298 0.31 . 1 . 36399 . . 234 TYR CA . 25364 1 148 . 1 1 51 51 TYR CB C 13 38.1324 0.5 . 1 . 36573 . . 234 TYR CB . 25364 1 149 . 1 1 51 51 TYR N N 15 114.4474 0.12 . 1 . 24953 . . 234 TYR N . 25364 1 150 . 1 1 52 52 GLY H H 1 7.7806 0.01 . 1 . 30833 . . 235 GLY H . 25364 1 151 . 1 1 52 52 GLY CA C 13 45.3808 0.31 . 1 . 36563 . . 235 GLY CA . 25364 1 152 . 1 1 52 52 GLY N N 15 107.8635 0.12 . 1 . 30835 . . 235 GLY N . 25364 1 153 . 1 1 53 53 LYS H H 1 7.9276 0.01 . 1 . 23733 . . 236 LYS H . 25364 1 154 . 1 1 53 53 LYS CA C 13 53.4942 0.31 . 1 . 35703 . . 236 LYS CA . 25364 1 155 . 1 1 53 53 LYS N N 15 121.4037 0.12 . 1 . 23735 . . 236 LYS N . 25364 1 156 . 1 1 54 54 TYR H H 1 8.4843 0.01 . 1 . 34229 . . 237 TYR H . 25364 1 157 . 1 1 54 54 TYR CA C 13 57.0939 0.31 . 1 . 34464 . . 237 TYR CA . 25364 1 158 . 1 1 54 54 TYR CB C 13 45.3985 0.5 . 1 . 36353 . . 237 TYR CB . 25364 1 159 . 1 1 54 54 TYR N N 15 124.8155 0.12 . 1 . 34231 . . 237 TYR N . 25364 1 160 . 1 1 55 55 SER H H 1 9.4877 0.01 . 1 . 23466 . . 238 SER H . 25364 1 161 . 1 1 55 55 SER CA C 13 57.5069 0.31 . 1 . 33010 . . 238 SER CA . 25364 1 162 . 1 1 55 55 SER CB C 13 64.8419 0.5 . 1 . 35916 . . 238 SER CB . 25364 1 163 . 1 1 55 55 SER N N 15 120.2803 0.12 . 1 . 23468 . . 238 SER N . 25364 1 164 . 1 1 56 56 ARG H H 1 9.8196 0.01 . 1 . 24261 . . 239 ARG H . 25364 1 165 . 1 1 56 56 ARG CA C 13 58.3492 0.31 . 1 . 38538 . . 239 ARG CA . 25364 1 166 . 1 1 56 56 ARG CB C 13 27.1444 0.5 . 1 . 38540 . . 239 ARG CB . 25364 1 167 . 1 1 56 56 ARG N N 15 126.5056 0.12 . 1 . 24263 . . 239 ARG N . 25364 1 168 . 1 1 57 57 ARG H H 1 9.9963 0.01 . 1 . 24918 . . 240 ARG H . 25364 1 169 . 1 1 57 57 ARG CA C 13 59.4943 0.31 . 1 . 36321 . . 240 ARG CA . 25364 1 170 . 1 1 57 57 ARG CB C 13 30.0353 0.5 . 1 . 38004 . . 240 ARG CB . 25364 1 171 . 1 1 57 57 ARG N N 15 117.5433 0.12 . 1 . 24920 . . 240 ARG N . 25364 1 172 . 1 1 58 58 ALA H H 1 8.3090 0.01 . 1 . 24795 . . 241 ALA H . 25364 1 173 . 1 1 58 58 ALA CA C 13 55.9899 0.31 . 1 . 25092 . . 241 ALA CA . 25364 1 174 . 1 1 58 58 ALA CB C 13 20.1006 0.5 . 1 . 25182 . . 241 ALA CB . 25364 1 175 . 1 1 58 58 ALA N N 15 124.0873 0.12 . 1 . 24797 . . 241 ALA N . 25364 1 176 . 1 1 59 59 PHE CA C 13 52.0822 0.31 . 1 . . . . 242 PHE CA . 25364 1 177 . 1 1 60 60 ASP CB C 13 39.0103 0.5 . 1 . . . . 243 ASP CB . 25364 1 178 . 1 1 62 62 LEU CA C 13 61.1889 0.31 . 1 . 34737 . . 245 LEU CA . 25364 1 179 . 1 1 62 62 LEU CB C 13 43.0080 0.5 . 1 . 23584 . . 245 LEU CB . 25364 1 180 . 1 1 63 63 VAL H H 1 9.2328 0.01 . 1 . 23499 . . 246 VAL H . 25364 1 181 . 1 1 63 63 VAL CA C 13 55.7037 0.31 . 1 . 38333 . . 246 VAL CA . 25364 1 182 . 1 1 63 63 VAL CB C 13 27.8446 0.5 . 1 . 38396 . . 246 VAL CB . 25364 1 183 . 1 1 63 63 VAL N N 15 115.5173 0.12 . 1 . 23501 . . 246 VAL N . 25364 1 184 . 1 1 64 64 LYS H H 1 7.6054 0.01 . 1 . 23475 . . 247 LYS H . 25364 1 185 . 1 1 64 64 LYS CA C 13 60.3155 0.31 . 1 . 32064 . . 247 LYS CA . 25364 1 186 . 1 1 64 64 LYS CB C 13 32.9153 0.5 . 1 . 38412 . . 247 LYS CB . 25364 1 187 . 1 1 64 64 LYS N N 15 118.2300 0.12 . 1 . 23477 . . 247 LYS N . 25364 1 188 . 1 1 65 65 ILE H H 1 7.7826 0.01 . 1 . 24012 . . 248 ILE H . 25364 1 189 . 1 1 65 65 ILE CA C 13 64.7154 0.31 . 1 . 24559 . . 248 ILE CA . 25364 1 190 . 1 1 65 65 ILE CB C 13 39.0846 0.5 . 1 . 32188 . . 248 ILE CB . 25364 1 191 . 1 1 65 65 ILE N N 15 118.3291 0.12 . 1 . 24014 . . 248 ILE N . 25364 1 192 . 1 1 67 67 ARG CA C 13 55.5552 0.31 . 1 . 38333 . . 250 ARG CA . 25364 1 193 . 1 1 67 67 ARG CB C 13 27.8758 0.5 . 1 . . . . 250 ARG CB . 25364 1 194 . 1 1 68 68 LYS CA C 13 60.2191 0.31 . 1 . 38434 . . 251 LYS CA . 25364 1 195 . 1 1 68 68 LYS CB C 13 30.4604 0.5 . 1 . 38436 . . 251 LYS CB . 25364 1 196 . 1 1 69 69 SER H H 1 8.4192 0.01 . 1 . 24909 . . 252 SER H . 25364 1 197 . 1 1 69 69 SER CA C 13 61.8304 0.31 . 1 . 33035 . . 252 SER CA . 25364 1 198 . 1 1 69 69 SER CB C 13 63.0425 0.5 . 1 . 38196 . . 252 SER CB . 25364 1 199 . 1 1 69 69 SER N N 15 117.5852 0.12 . 1 . 24911 . . 252 SER N . 25364 1 200 . 1 1 70 70 LEU H H 1 7.5426 0.01 . 1 . 24867 . . 253 LEU H . 25364 1 201 . 1 1 70 70 LEU CA C 13 57.0400 0.31 . 1 . 32948 . . 253 LEU CA . 25364 1 202 . 1 1 70 70 LEU CB C 13 42.4241 0.5 . 1 . 38302 . . 253 LEU CB . 25364 1 203 . 1 1 70 70 LEU N N 15 119.9282 0.12 . 1 . 24869 . . 253 LEU N . 25364 1 204 . 1 1 71 71 HIS H H 1 7.0230 0.01 . 1 . 23514 . . 254 HIS H . 25364 1 205 . 1 1 71 71 HIS CA C 13 58.0638 0.31 . 1 . 37767 . . 254 HIS CA . 25364 1 206 . 1 1 71 71 HIS CB C 13 27.3418 0.5 . 1 . 37771 . . 254 HIS CB . 25364 1 207 . 1 1 71 71 HIS N N 15 110.0405 0.12 . 1 . 23516 . . 254 HIS N . 25364 1 208 . 1 1 72 72 ILE H H 1 7.6053 0.01 . 1 . 24291 . . 255 ILE H . 25364 1 209 . 1 1 72 72 ILE CA C 13 63.9328 0.31 . 1 . 35869 . . 255 ILE CA . 25364 1 210 . 1 1 72 72 ILE CB C 13 38.0036 0.5 . 1 . 37933 . . 255 ILE CB . 25364 1 211 . 1 1 72 72 ILE N N 15 121.8894 0.12 . 1 . 24293 . . 255 ILE N . 25364 1 212 . 1 1 73 73 TYR H H 1 7.8706 0.01 . 1 . 24906 . . 256 TYR H . 25364 1 213 . 1 1 73 73 TYR CA C 13 58.0872 0.31 . 1 . 37825 . . 256 TYR CA . 25364 1 214 . 1 1 73 73 TYR CB C 13 38.0237 0.5 . 1 . 37829 . . 256 TYR CB . 25364 1 215 . 1 1 73 73 TYR N N 15 117.9174 0.12 . 1 . 24908 . . 256 TYR N . 25364 1 216 . 1 1 74 74 ASP H H 1 7.4179 0.01 . 1 . 24174 . . 257 ASP H . 25364 1 217 . 1 1 74 74 ASP CA C 13 53.9771 0.31 . 1 . 36544 . . 257 ASP CA . 25364 1 218 . 1 1 74 74 ASP CB C 13 39.2067 0.5 . 1 . 37923 . . 257 ASP CB . 25364 1 219 . 1 1 74 74 ASP N N 15 121.5199 0.12 . 1 . 24176 . . 257 ASP N . 25364 1 220 . 1 1 76 76 PRO CA C 13 62.9569 0.31 . 1 . 24622 . . 259 PRO CA . 25364 1 221 . 1 1 76 76 PRO CB C 13 32.1396 0.5 . 1 . 23851 . . 259 PRO CB . 25364 1 222 . 1 1 77 77 THR H H 1 8.3092 0.01 . 1 . 24945 . . 260 THR H . 25364 1 223 . 1 1 77 77 THR CA C 13 62.0336 0.31 . 1 . 24625 . . 260 THR CA . 25364 1 224 . 1 1 77 77 THR CB C 13 69.8587 0.5 . 1 . . . . 260 THR CB . 25364 1 225 . 1 1 77 77 THR N N 15 114.9757 0.12 . 1 . 24947 . . 260 THR N . 25364 1 226 . 1 1 78 78 GLN H H 1 8.4096 0.01 . 1 . 24804 . . 261 GLN H . 25364 1 227 . 1 1 78 78 GLN CA C 13 55.7344 0.31 . 1 . 26470 . . 261 GLN CA . 25364 1 228 . 1 1 78 78 GLN CB C 13 29.8037 0.5 . 1 . 27445 . . 261 GLN CB . 25364 1 229 . 1 1 78 78 GLN N N 15 122.9896 0.12 . 1 . 24806 . . 261 GLN N . 25364 1 230 . 1 1 79 79 ALA H H 1 8.4355 0.01 . 1 . 24762 . . 262 ALA H . 25364 1 231 . 1 1 79 79 ALA CA C 13 52.7524 0.31 . 1 . 26605 . . 262 ALA CA . 25364 1 232 . 1 1 79 79 ALA CB C 13 19.3321 0.5 . 1 . 27485 . . 262 ALA CB . 25364 1 233 . 1 1 79 79 ALA N N 15 126.4457 0.12 . 1 . 24764 . . 262 ALA N . 25364 1 234 . 1 1 80 80 ARG H H 1 8.3819 0.01 . 1 . 24843 . . 263 ARG H . 25364 1 235 . 1 1 80 80 ARG CA C 13 56.0310 0.31 . 1 . 27435 . . 263 ARG CA . 25364 1 236 . 1 1 80 80 ARG CB C 13 31.0686 0.5 . 1 . 27429 . . 263 ARG CB . 25364 1 237 . 1 1 80 80 ARG N N 15 120.7219 0.12 . 1 . 24845 . . 263 ARG N . 25364 1 238 . 1 1 81 81 ASP H H 1 8.4832 0.01 . 1 . 24816 . . 264 ASP H . 25364 1 239 . 1 1 81 81 ASP CA C 13 54.4845 0.31 . 1 . 26626 . . 264 ASP CA . 25364 1 240 . 1 1 81 81 ASP CB C 13 41.0765 0.5 . 1 . 27491 . . 264 ASP CB . 25364 1 241 . 1 1 81 81 ASP N N 15 121.9981 0.12 . 1 . 24818 . . 264 ASP N . 25364 1 242 . 1 1 82 82 THR H H 1 8.0948 0.01 . 1 . 24948 . . 265 THR H . 25364 1 243 . 1 1 82 82 THR CA C 13 62.0066 0.31 . 1 . 26616 . . 265 THR CA . 25364 1 244 . 1 1 82 82 THR CB C 13 69.7652 0.5 . 1 . 27501 . . 265 THR CB . 25364 1 245 . 1 1 82 82 THR N N 15 114.6073 0.12 . 1 . 24950 . . 265 THR N . 25364 1 246 . 1 1 83 83 ALA H H 1 8.3255 0.01 . 1 . 24765 . . 266 ALA H . 25364 1 247 . 1 1 83 83 ALA CA C 13 52.9433 0.31 . 1 . 27478 . . 266 ALA CA . 25364 1 248 . 1 1 83 83 ALA CB C 13 19.2899 0.5 . 1 . 27484 . . 266 ALA CB . 25364 1 249 . 1 1 83 83 ALA N N 15 126.5022 0.12 . 1 . 24767 . . 266 ALA N . 25364 1 250 . 1 1 84 84 LYS H H 1 8.2011 0.01 . 1 . 24846 . . 267 LYS H . 25364 1 251 . 1 1 84 84 LYS CA C 13 56.4287 0.31 . 1 . 26477 . . 267 LYS CA . 25364 1 252 . 1 1 84 84 LYS CB C 13 33.3133 0.5 . 1 . 33775 . . 267 LYS CB . 25364 1 253 . 1 1 84 84 LYS N N 15 120.5523 0.12 . 1 . 24848 . . 267 LYS N . 25364 1 254 . 1 1 85 85 ASP H H 1 8.3837 0.01 . 1 . 24813 . . 268 ASP H . 25364 1 255 . 1 1 85 85 ASP CA C 13 54.5355 0.31 . 1 . 33824 . . 268 ASP CA . 25364 1 256 . 1 1 85 85 ASP CB C 13 41.0157 0.5 . 1 . 33830 . . 268 ASP CB . 25364 1 257 . 1 1 85 85 ASP N N 15 121.9638 0.12 . 1 . 24815 . . 268 ASP N . 25364 1 258 . 1 1 86 86 GLU H H 1 8.3232 0.01 . 1 . 33470 . . 269 GLU H . 25364 1 259 . 1 1 86 86 GLU CA C 13 56.1296 0.31 . 1 . 33976 . . 269 GLU CA . 25364 1 260 . 1 1 86 86 GLU CB C 13 30.4951 0.5 . 1 . 33985 . . 269 GLU CB . 25364 1 261 . 1 1 86 86 GLU N N 15 121.3881 0.12 . 1 . 33472 . . 269 GLU N . 25364 1 262 . 1 1 87 87 ASN H H 1 8.0741 0.01 . 1 . 24759 . . 270 ASN H . 25364 1 263 . 1 1 87 87 ASN CA C 13 55.6488 0.31 . 1 . 24382 . . 270 ASN CA . 25364 1 264 . 1 1 87 87 ASN CB C 13 41.8380 0.5 . 1 . 23602 . . 270 ASN CB . 25364 1 265 . 1 1 87 87 ASN N N 15 126.7381 0.12 . 1 . 24761 . . 270 ASN N . 25364 1 266 . 1 1 89 89 ASP CA C 13 58.5100 0.31 . 1 . . . . 272 ASP CA . 25364 1 267 . 1 1 89 89 ASP CB C 13 41.4672 0.5 . 1 . . . . 272 ASP CB . 25364 1 268 . 1 1 90 90 GLU H H 1 8.1310 0.01 . 1 . . . . 273 GLU H . 25364 1 269 . 1 1 90 90 GLU CA C 13 61.7705 0.31 . 1 . . . . 273 GLU CA . 25364 1 270 . 1 1 90 90 GLU CB C 13 30.0876 0.5 . 1 . . . . 273 GLU CB . 25364 1 271 . 1 1 90 90 GLU N N 15 113.9550 0.12 . 1 . . . . 273 GLU N . 25364 1 272 . 1 1 91 91 ASP CB C 13 42.0081 0.5 . 1 . . . . 274 ASP CB . 25364 1 stop_ save_