################################### # 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 16933 _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 1 CBCA(CO)NH . . . 16933 1 2 HNCACB . . . 16933 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 1 1 GLY CA C 13 45.3435 . . 1 . . . . 1 GLY CA . 16933 1 2 . 1 1 2 2 VAL H H 1 7.6635 . . 1 . . . . 2 VAL HN . 16933 1 3 . 1 1 2 2 VAL CA C 13 59.1208 . . 1 . . . . 2 VAL CA . 16933 1 4 . 1 1 2 2 VAL CB C 13 34.5166 . . 1 . . . . 2 VAL CB . 16933 1 5 . 1 1 2 2 VAL N N 15 117.5987 . . 1 . . . . 2 VAL N . 16933 1 6 . 1 1 3 3 GLN H H 1 8.5233 . . 1 . . . . 3 GLN HN . 16933 1 7 . 1 1 3 3 GLN CA C 13 54.1748 . . 1 . . . . 3 GLN CA . 16933 1 8 . 1 1 3 3 GLN CB C 13 31.7176 . . 1 . . . . 3 GLN CB . 16933 1 9 . 1 1 3 3 GLN N N 15 127.3763 . . 1 . . . . 3 GLN N . 16933 1 10 . 1 1 4 4 VAL CA C 13 61.9434 . . 1 . . . . 4 VAL CA . 16933 1 11 . 1 1 5 5 GLU H H 1 8.9525 . . 1 . . . . 5 GLU HN . 16933 1 12 . 1 1 5 5 GLU CA C 13 54.3342 . . 1 . . . . 5 GLU CA . 16933 1 13 . 1 1 5 5 GLU CB C 13 32.9268 . . 1 . . . . 5 GLU CB . 16933 1 14 . 1 1 5 5 GLU N N 15 128.7394 . . 1 . . . . 5 GLU N . 16933 1 15 . 1 1 7 7 ILE H H 1 9.3640 . . 1 . . . . 7 ILE HN . 16933 1 16 . 1 1 7 7 ILE CA C 13 62.8988 . . 1 . . . . 7 ILE CA . 16933 1 17 . 1 1 7 7 ILE CB C 13 39.7496 . . 1 . . . . 7 ILE CB . 16933 1 18 . 1 1 7 7 ILE N N 15 129.9354 . . 1 . . . . 7 ILE N . 16933 1 19 . 1 1 8 8 SER H H 1 8.2986 . . 1 . . . . 8 SER HN . 16933 1 20 . 1 1 8 8 SER CA C 13 55.5443 . . 1 . . . . 8 SER CA . 16933 1 21 . 1 1 8 8 SER CB C 13 64.3142 . . 1 . . . . 8 SER CB . 16933 1 22 . 1 1 8 8 SER N N 15 114.8922 . . 1 . . . . 8 SER N . 16933 1 23 . 1 1 9 9 PRO CA C 13 63.5374 . . 1 . . . . 9 PRO CA . 16933 1 24 . 1 1 9 9 PRO CB C 13 32.7504 . . 1 . . . . 9 PRO CB . 16933 1 25 . 1 1 10 10 GLY H H 1 8.4826 . . 1 . . . . 10 GLY HN . 16933 1 26 . 1 1 10 10 GLY CA C 13 44.0795 . . 1 . . . . 10 GLY CA . 16933 1 27 . 1 1 10 10 GLY N N 15 107.9522 . . 1 . . . . 10 GLY N . 16933 1 28 . 1 1 11 11 ASP H H 1 8.0568 . . 1 . . . . 11 ASP HN . 16933 1 29 . 1 1 11 11 ASP CA C 13 54.4229 . . 1 . . . . 11 ASP CA . 16933 1 30 . 1 1 11 11 ASP CB C 13 39.3169 . . 1 . . . . 11 ASP CB . 16933 1 31 . 1 1 11 11 ASP N N 15 118.8753 . . 1 . . . . 11 ASP N . 16933 1 32 . 1 1 12 12 GLY H H 1 8.7188 . . 1 . . . . 12 GLY HN . 16933 1 33 . 1 1 12 12 GLY CA C 13 45.9825 . . 1 . . . . 12 GLY CA . 16933 1 34 . 1 1 12 12 GLY N N 15 108.3694 . . 1 . . . . 12 GLY N . 16933 1 35 . 1 1 13 13 ARG H H 1 8.5392 . . 1 . . . . 13 ARG HN . 16933 1 36 . 1 1 13 13 ARG CA C 13 56.6892 . . 1 . . . . 13 ARG CA . 16933 1 37 . 1 1 13 13 ARG CB C 13 34.3801 . . 1 . . . . 13 ARG CB . 16933 1 38 . 1 1 13 13 ARG N N 15 117.7481 . . 1 . . . . 13 ARG N . 16933 1 39 . 1 1 14 14 THR H H 1 10.2492 . . 1 . . . . 14 THR HN . 16933 1 40 . 1 1 14 14 THR CA C 13 61.9229 . . 1 . . . . 14 THR CA . 16933 1 41 . 1 1 14 14 THR CB C 13 66.2389 . . 1 . . . . 14 THR CB . 16933 1 42 . 1 1 14 14 THR N N 15 125.4917 . . 1 . . . . 14 THR N . 16933 1 43 . 1 1 15 15 PHE H H 1 8.1363 . . 1 . . . . 15 PHE HN . 16933 1 44 . 1 1 15 15 PHE CA C 13 54.4976 . . 1 . . . . 15 PHE CA . 16933 1 45 . 1 1 15 15 PHE CB C 13 39.7991 . . 1 . . . . 15 PHE CB . 16933 1 46 . 1 1 15 15 PHE N N 15 125.0618 . . 1 . . . . 15 PHE N . 16933 1 47 . 1 1 16 16 PRO CA C 13 62.8246 . . 1 . . . . 16 PRO CA . 16933 1 48 . 1 1 16 16 PRO CB C 13 33.3059 . . 1 . . . . 16 PRO CB . 16933 1 49 . 1 1 17 17 LYS H H 1 8.5373 . . 1 . . . . 17 LYS HN . 16933 1 50 . 1 1 17 17 LYS CA C 13 53.4702 . . 1 . . . . 17 LYS CA . 16933 1 51 . 1 1 17 17 LYS CB C 13 34.9479 . . 1 . . . . 17 LYS CB . 16933 1 52 . 1 1 17 17 LYS N N 15 121.5555 . . 1 . . . . 17 LYS N . 16933 1 53 . 1 1 18 18 ARG H H 1 8.4199 . . 1 . . . . 18 ARG HN . 16933 1 54 . 1 1 18 18 ARG CA C 13 58.5495 . . 1 . . . . 18 ARG CA . 16933 1 55 . 1 1 18 18 ARG CB C 13 29.7032 . . 1 . . . . 18 ARG CB . 16933 1 56 . 1 1 18 18 ARG N N 15 120.2824 . . 1 . . . . 18 ARG N . 16933 1 57 . 1 1 19 19 GLY H H 1 8.9412 . . 1 . . . . 19 GLY HN . 16933 1 58 . 1 1 19 19 GLY CA C 13 44.9184 . . 1 . . . . 19 GLY CA . 16933 1 59 . 1 1 19 19 GLY N N 15 113.3247 . . 1 . . . . 19 GLY N . 16933 1 60 . 1 1 20 20 GLN H H 1 8.0713 . . 1 . . . . 20 GLN HN . 16933 1 61 . 1 1 20 20 GLN CA C 13 56.3454 . . 1 . . . . 20 GLN CA . 16933 1 62 . 1 1 20 20 GLN CB C 13 30.8435 . . 1 . . . . 20 GLN CB . 16933 1 63 . 1 1 20 20 GLN N N 15 119.0948 . . 1 . . . . 20 GLN N . 16933 1 64 . 1 1 21 21 THR H H 1 8.6378 . . 1 . . . . 21 THR HN . 16933 1 65 . 1 1 21 21 THR CA C 13 62.8188 . . 1 . . . . 21 THR CA . 16933 1 66 . 1 1 21 21 THR CB C 13 68.8564 . . 1 . . . . 21 THR CB . 16933 1 67 . 1 1 21 21 THR N N 15 119.8224 . . 1 . . . . 21 THR N . 16933 1 68 . 1 1 22 22 CYS H H 1 8.7896 . . 1 . . . . 22 CYS HN . 16933 1 69 . 1 1 22 22 CYS CA C 13 58.1410 . . 1 . . . . 22 CYS CA . 16933 1 70 . 1 1 22 22 CYS CB C 13 29.4180 . . 1 . . . . 22 CYS CB . 16933 1 71 . 1 1 22 22 CYS N N 15 126.0608 . . 1 . . . . 22 CYS N . 16933 1 72 . 1 1 23 23 VAL H H 1 8.0938 . . 1 . . . . 23 VAL HN . 16933 1 73 . 1 1 23 23 VAL CA C 13 61.5042 . . 1 . . . . 23 VAL CA . 16933 1 74 . 1 1 23 23 VAL CB C 13 31.5688 . . 1 . . . . 23 VAL CB . 16933 1 75 . 1 1 23 23 VAL N N 15 123.5024 . . 1 . . . . 23 VAL N . 16933 1 76 . 1 1 24 24 VAL H H 1 9.7633 . . 1 . . . . 24 VAL HN . 16933 1 77 . 1 1 24 24 VAL CA C 13 58.1745 . . 1 . . . . 24 VAL CA . 16933 1 78 . 1 1 24 24 VAL CB C 13 36.1645 . . 1 . . . . 24 VAL CB . 16933 1 79 . 1 1 24 24 VAL N N 15 119.0728 . . 1 . . . . 24 VAL N . 16933 1 80 . 1 1 25 25 HIS H H 1 8.5343 . . 1 . . . . 25 HIS HN . 16933 1 81 . 1 1 25 25 HIS CA C 13 56.2707 . . 1 . . . . 25 HIS CA . 16933 1 82 . 1 1 25 25 HIS CB C 13 35.8200 . . 1 . . . . 25 HIS CB . 16933 1 83 . 1 1 25 25 HIS N N 15 118.1420 . . 1 . . . . 25 HIS N . 16933 1 84 . 1 1 26 26 TYR H H 1 10.0287 . . 1 . . . . 26 TYR HN . 16933 1 85 . 1 1 26 26 TYR N N 15 118.6733 . . 1 . . . . 26 TYR N . 16933 1 86 . 1 1 27 27 THR H H 1 8.9379 . . 1 . . . . 27 THR HN . 16933 1 87 . 1 1 27 27 THR CA C 13 62.8236 . . 1 . . . . 27 THR CA . 16933 1 88 . 1 1 27 27 THR CB C 13 72.1271 . . 1 . . . . 27 THR CB . 16933 1 89 . 1 1 27 27 THR N N 15 116.9487 . . 1 . . . . 27 THR N . 16933 1 90 . 1 1 28 28 GLY H H 1 9.3163 . . 1 . . . . 28 GLY HN . 16933 1 91 . 1 1 28 28 GLY CA C 13 45.4650 . . 1 . . . . 28 GLY CA . 16933 1 92 . 1 1 28 28 GLY N N 15 115.0525 . . 1 . . . . 28 GLY N . 16933 1 93 . 1 1 29 29 MET H H 1 9.0375 . . 1 . . . . 29 MET HN . 16933 1 94 . 1 1 29 29 MET CA C 13 54.2272 . . 1 . . . . 29 MET CA . 16933 1 95 . 1 1 29 29 MET CB C 13 37.6511 . . 1 . . . . 29 MET CB . 16933 1 96 . 1 1 29 29 MET N N 15 125.1767 . . 1 . . . . 29 MET N . 16933 1 97 . 1 1 30 30 LEU H H 1 8.4176 . . 1 . . . . 30 LEU HN . 16933 1 98 . 1 1 30 30 LEU CA C 13 54.2268 . . 1 . . . . 30 LEU CA . 16933 1 99 . 1 1 30 30 LEU CB C 13 41.6676 . . 1 . . . . 30 LEU CB . 16933 1 100 . 1 1 30 30 LEU N N 15 119.6354 . . 1 . . . . 30 LEU N . 16933 1 101 . 1 1 31 31 GLU H H 1 9.0119 . . 1 . . . . 31 GLU HN . 16933 1 102 . 1 1 31 31 GLU CA C 13 59.6451 . . 1 . . . . 31 GLU CA . 16933 1 103 . 1 1 31 31 GLU CB C 13 29.8928 . . 1 . . . . 31 GLU CB . 16933 1 104 . 1 1 31 31 GLU N N 15 120.8810 . . 1 . . . . 31 GLU N . 16933 1 105 . 1 1 32 32 ASP H H 1 7.8699 . . 1 . . . . 32 ASP HN . 16933 1 106 . 1 1 32 32 ASP CA C 13 53.6801 . . 1 . . . . 32 ASP CA . 16933 1 107 . 1 1 32 32 ASP CB C 13 40.0300 . . 1 . . . . 32 ASP CB . 16933 1 108 . 1 1 32 32 ASP N N 15 115.6075 . . 1 . . . . 32 ASP N . 16933 1 109 . 1 1 33 33 GLY H H 1 8.2353 . . 1 . . . . 33 GLY HN . 16933 1 110 . 1 1 33 33 GLY CA C 13 44.8694 . . 1 . . . . 33 GLY CA . 16933 1 111 . 1 1 33 33 GLY N N 15 108.6046 . . 1 . . . . 33 GLY N . 16933 1 112 . 1 1 34 34 LYS H H 1 7.8842 . . 1 . . . . 34 LYS HN . 16933 1 113 . 1 1 34 34 LYS CA C 13 57.2661 . . 1 . . . . 34 LYS CA . 16933 1 114 . 1 1 34 34 LYS CB C 13 32.6393 . . 1 . . . . 34 LYS CB . 16933 1 115 . 1 1 34 34 LYS N N 15 121.7802 . . 1 . . . . 34 LYS N . 16933 1 116 . 1 1 35 35 LYS H H 1 8.5883 . . 1 . . . . 35 LYS HN . 16933 1 117 . 1 1 35 35 LYS CA C 13 56.7541 . . 1 . . . . 35 LYS CA . 16933 1 118 . 1 1 35 35 LYS CB C 13 32.9569 . . 1 . . . . 35 LYS CB . 16933 1 119 . 1 1 35 35 LYS N N 15 127.8565 . . 1 . . . . 35 LYS N . 16933 1 120 . 1 1 36 36 PHE H H 1 8.3719 . . 1 . . . . 36 PHE HN . 16933 1 121 . 1 1 36 36 PHE CA C 13 56.1128 . . 1 . . . . 36 PHE CA . 16933 1 122 . 1 1 36 36 PHE CB C 13 40.9368 . . 1 . . . . 36 PHE CB . 16933 1 123 . 1 1 36 36 PHE N N 15 120.7962 . . 1 . . . . 36 PHE N . 16933 1 124 . 1 1 37 37 ASP H H 1 7.0423 . . 1 . . . . 37 ASP HN . 16933 1 125 . 1 1 37 37 ASP CA C 13 54.6475 . . 1 . . . . 37 ASP CA . 16933 1 126 . 1 1 37 37 ASP CB C 13 43.2124 . . 1 . . . . 37 ASP CB . 16933 1 127 . 1 1 37 37 ASP N N 15 118.8693 . . 1 . . . . 37 ASP N . 16933 1 128 . 1 1 38 38 SER H H 1 8.4156 . . 1 . . . . 38 SER HN . 16933 1 129 . 1 1 38 38 SER CA C 13 56.9382 . . 1 . . . . 38 SER CA . 16933 1 130 . 1 1 38 38 SER N N 15 118.6171 . . 1 . . . . 38 SER N . 16933 1 131 . 1 1 39 39 SER CA C 13 62.2133 . . 1 . . . . 39 SER CA . 16933 1 132 . 1 1 40 40 ARG H H 1 7.6438 . . 1 . . . . 40 ARG HN . 16933 1 133 . 1 1 40 40 ARG CA C 13 58.7664 . . 1 . . . . 40 ARG CA . 16933 1 134 . 1 1 40 40 ARG CB C 13 29.0399 . . 1 . . . . 40 ARG CB . 16933 1 135 . 1 1 40 40 ARG N N 15 123.3990 . . 1 . . . . 40 ARG N . 16933 1 136 . 1 1 41 41 ASP H H 1 7.1626 . . 1 . . . . 41 ASP HN . 16933 1 137 . 1 1 41 41 ASP CA C 13 56.5303 . . 1 . . . . 41 ASP CA . 16933 1 138 . 1 1 41 41 ASP CB C 13 40.2737 . . 1 . . . . 41 ASP CB . 16933 1 139 . 1 1 41 41 ASP N N 15 118.6582 . . 1 . . . . 41 ASP N . 16933 1 140 . 1 1 42 42 ARG H H 1 6.9426 . . 1 . . . . 42 ARG HN . 16933 1 141 . 1 1 42 42 ARG CA C 13 56.0492 . . 1 . . . . 42 ARG CA . 16933 1 142 . 1 1 42 42 ARG CB C 13 31.4365 . . 1 . . . . 42 ARG CB . 16933 1 143 . 1 1 42 42 ARG N N 15 115.1240 . . 1 . . . . 42 ARG N . 16933 1 144 . 1 1 43 43 ASN H H 1 7.8183 . . 1 . . . . 43 ASN HN . 16933 1 145 . 1 1 43 43 ASN CA C 13 53.7980 . . 1 . . . . 43 ASN CA . 16933 1 146 . 1 1 43 43 ASN CB C 13 37.6364 . . 1 . . . . 43 ASN CB . 16933 1 147 . 1 1 43 43 ASN N N 15 115.5354 . . 1 . . . . 43 ASN N . 16933 1 148 . 1 1 44 44 LYS H H 1 7.4009 . . 1 . . . . 44 LYS HN . 16933 1 149 . 1 1 44 44 LYS CA C 13 53.6120 . . 1 . . . . 44 LYS CA . 16933 1 150 . 1 1 44 44 LYS CB C 13 35.0577 . . 1 . . . . 44 LYS CB . 16933 1 151 . 1 1 44 44 LYS N N 15 115.6074 . . 1 . . . . 44 LYS N . 16933 1 152 . 1 1 45 45 PRO CA C 13 63.1659 . . 1 . . . . 45 PRO CA . 16933 1 153 . 1 1 45 45 PRO CB C 13 32.7285 . . 1 . . . . 45 PRO CB . 16933 1 154 . 1 1 46 46 PHE H H 1 9.2553 . . 1 . . . . 46 PHE HN . 16933 1 155 . 1 1 46 46 PHE CA C 13 57.0158 . . 1 . . . . 46 PHE CA . 16933 1 156 . 1 1 46 46 PHE CB C 13 42.1304 . . 1 . . . . 46 PHE CB . 16933 1 157 . 1 1 46 46 PHE N N 15 124.3304 . . 1 . . . . 46 PHE N . 16933 1 158 . 1 1 47 47 LYS H H 1 7.4585 . . 1 . . . . 47 LYS HN . 16933 1 159 . 1 1 47 47 LYS CA C 13 54.2767 . . 1 . . . . 47 LYS CA . 16933 1 160 . 1 1 47 47 LYS CB C 13 35.7847 . . 1 . . . . 47 LYS CB . 16933 1 161 . 1 1 47 47 LYS N N 15 124.6130 . . 1 . . . . 47 LYS N . 16933 1 162 . 1 1 48 48 PHE H H 1 8.0373 . . 1 . . . . 48 PHE HN . 16933 1 163 . 1 1 48 48 PHE CA C 13 55.6859 . . 1 . . . . 48 PHE CA . 16933 1 164 . 1 1 48 48 PHE CB C 13 40.7484 . . 1 . . . . 48 PHE CB . 16933 1 165 . 1 1 48 48 PHE N N 15 117.0918 . . 1 . . . . 48 PHE N . 16933 1 166 . 1 1 49 49 MET H H 1 9.1992 . . 1 . . . . 49 MET HN . 16933 1 167 . 1 1 49 49 MET CA C 13 54.4284 . . 1 . . . . 49 MET CA . 16933 1 168 . 1 1 49 49 MET CB C 13 34.2154 . . 1 . . . . 49 MET CB . 16933 1 169 . 1 1 49 49 MET N N 15 123.1067 . . 1 . . . . 49 MET N . 16933 1 170 . 1 1 50 50 LEU H H 1 8.2176 . . 1 . . . . 50 LEU HN . 16933 1 171 . 1 1 50 50 LEU CA C 13 56.4181 . . 1 . . . . 50 LEU CA . 16933 1 172 . 1 1 50 50 LEU CB C 13 42.8110 . . 1 . . . . 50 LEU CB . 16933 1 173 . 1 1 50 50 LEU N N 15 129.5086 . . 1 . . . . 50 LEU N . 16933 1 174 . 1 1 51 51 GLY H H 1 10.4666 . . 1 . . . . 51 GLY HN . 16933 1 175 . 1 1 51 51 GLY CA C 13 46.1133 . . 1 . . . . 51 GLY CA . 16933 1 176 . 1 1 51 51 GLY N N 15 117.8635 . . 1 . . . . 51 GLY N . 16933 1 177 . 1 1 52 52 LYS H H 1 8.1832 . . 1 . . . . 52 LYS HN . 16933 1 178 . 1 1 52 52 LYS CA C 13 54.4554 . . 1 . . . . 52 LYS CA . 16933 1 179 . 1 1 52 52 LYS CB C 13 33.2719 . . 1 . . . . 52 LYS CB . 16933 1 180 . 1 1 52 52 LYS N N 15 120.1722 . . 1 . . . . 52 LYS N . 16933 1 181 . 1 1 53 53 GLN H H 1 8.9365 . . 1 . . . . 53 GLN HN . 16933 1 182 . 1 1 53 53 GLN CA C 13 57.3118 . . 1 . . . . 53 GLN CA . 16933 1 183 . 1 1 53 53 GLN CB C 13 26.1500 . . 1 . . . . 53 GLN CB . 16933 1 184 . 1 1 53 53 GLN N N 15 116.2316 . . 1 . . . . 53 GLN N . 16933 1 185 . 1 1 54 54 GLU H H 1 9.6742 . . 1 . . . . 54 GLU HN . 16933 1 186 . 1 1 54 54 GLU CA C 13 57.6651 . . 1 . . . . 54 GLU CA . 16933 1 187 . 1 1 54 54 GLU CB C 13 31.1784 . . 1 . . . . 54 GLU CB . 16933 1 188 . 1 1 54 54 GLU N N 15 119.4756 . . 1 . . . . 54 GLU N . 16933 1 189 . 1 1 55 55 VAL H H 1 6.5793 . . 1 . . . . 55 VAL HN . 16933 1 190 . 1 1 55 55 VAL CA C 13 56.6668 . . 1 . . . . 55 VAL CA . 16933 1 191 . 1 1 55 55 VAL CB C 13 36.0307 . . 1 . . . . 55 VAL CB . 16933 1 192 . 1 1 55 55 VAL N N 15 132.5391 . . 1 . . . . 55 VAL N . 16933 1 193 . 1 1 56 56 ILE H H 1 6.9993 . . 1 . . . . 56 ILE HN . 16933 1 194 . 1 1 56 56 ILE CA C 13 61.7900 . . 1 . . . . 56 ILE CA . 16933 1 195 . 1 1 56 56 ILE CB C 13 38.3340 . . 1 . . . . 56 ILE CB . 16933 1 196 . 1 1 56 56 ILE N N 15 108.6337 . . 1 . . . . 56 ILE N . 16933 1 197 . 1 1 57 57 ARG H H 1 8.6966 . . 1 . . . . 57 ARG HN . 16933 1 198 . 1 1 57 57 ARG CA C 13 59.9633 . . 1 . . . . 57 ARG CA . 16933 1 199 . 1 1 57 57 ARG CB C 13 30.4510 . . 1 . . . . 57 ARG CB . 16933 1 200 . 1 1 57 57 ARG N N 15 125.6573 . . 1 . . . . 57 ARG N . 16933 1 201 . 1 1 58 58 GLY H H 1 9.6520 . . 1 . . . . 58 GLY HN . 16933 1 202 . 1 1 58 58 GLY CA C 13 47.6876 . . 1 . . . . 58 GLY CA . 16933 1 203 . 1 1 58 58 GLY N N 15 101.4200 . . 1 . . . . 58 GLY N . 16933 1 204 . 1 1 59 59 TRP H H 1 7.7071 . . 1 . . . . 59 TRP HN . 16933 1 205 . 1 1 59 59 TRP HE1 H 1 5.1154 . . 1 . . . . 59 TRP HE1 . 16933 1 206 . 1 1 59 59 TRP CA C 13 61.9928 . . 1 . . . . 59 TRP CA . 16933 1 207 . 1 1 59 59 TRP CB C 13 28.3428 . . 1 . . . . 59 TRP CB . 16933 1 208 . 1 1 59 59 TRP N N 15 119.6422 . . 1 . . . . 59 TRP N . 16933 1 209 . 1 1 59 59 TRP NE1 N 15 119.9102 . . 1 . . . . 59 TRP NE1 . 16933 1 210 . 1 1 60 60 GLU H H 1 7.6532 . . 1 . . . . 60 GLU HN . 16933 1 211 . 1 1 60 60 GLU CA C 13 59.8882 . . 1 . . . . 60 GLU CA . 16933 1 212 . 1 1 60 60 GLU CB C 13 30.0137 . . 1 . . . . 60 GLU CB . 16933 1 213 . 1 1 60 60 GLU N N 15 119.3076 . . 1 . . . . 60 GLU N . 16933 1 214 . 1 1 61 61 GLU H H 1 8.2609 . . 1 . . . . 61 GLU HN . 16933 1 215 . 1 1 61 61 GLU CA C 13 57.9920 . . 1 . . . . 61 GLU CA . 16933 1 216 . 1 1 61 61 GLU CB C 13 30.1573 . . 1 . . . . 61 GLU CB . 16933 1 217 . 1 1 61 61 GLU N N 15 112.3611 . . 1 . . . . 61 GLU N . 16933 1 218 . 1 1 62 62 GLY H H 1 7.7346 . . 1 . . . . 62 GLY HN . 16933 1 219 . 1 1 62 62 GLY CA C 13 46.9631 . . 1 . . . . 62 GLY CA . 16933 1 220 . 1 1 62 62 GLY N N 15 108.0129 . . 1 . . . . 62 GLY N . 16933 1 221 . 1 1 63 63 VAL H H 1 8.9130 . . 1 . . . . 63 VAL HN . 16933 1 222 . 1 1 63 63 VAL CA C 13 65.6720 . . 1 . . . . 63 VAL CA . 16933 1 223 . 1 1 63 63 VAL CB C 13 30.5535 . . 1 . . . . 63 VAL CB . 16933 1 224 . 1 1 63 63 VAL N N 15 120.9383 . . 1 . . . . 63 VAL N . 16933 1 225 . 1 1 64 64 ALA H H 1 6.4713 . . 1 . . . . 64 ALA HN . 16933 1 226 . 1 1 64 64 ALA CA C 13 54.4636 . . 1 . . . . 64 ALA CA . 16933 1 227 . 1 1 64 64 ALA CB C 13 18.9420 . . 1 . . . . 64 ALA CB . 16933 1 228 . 1 1 64 64 ALA N N 15 115.4786 . . 1 . . . . 64 ALA N . 16933 1 229 . 1 1 65 65 GLN H H 1 7.0349 . . 1 . . . . 65 GLN HN . 16933 1 230 . 1 1 65 65 GLN CA C 13 55.5989 . . 1 . . . . 65 GLN CA . 16933 1 231 . 1 1 65 65 GLN CB C 13 30.0817 . . 1 . . . . 65 GLN CB . 16933 1 232 . 1 1 65 65 GLN N N 15 111.9646 . . 1 . . . . 65 GLN N . 16933 1 233 . 1 1 66 66 MET H H 1 7.8705 . . 1 . . . . 66 MET HN . 16933 1 234 . 1 1 66 66 MET CA C 13 55.2498 . . 1 . . . . 66 MET CA . 16933 1 235 . 1 1 66 66 MET CB C 13 35.3540 . . 1 . . . . 66 MET CB . 16933 1 236 . 1 1 66 66 MET N N 15 122.3094 . . 1 . . . . 66 MET N . 16933 1 237 . 1 1 67 67 SER H H 1 8.1743 . . 1 . . . . 67 SER HN . 16933 1 238 . 1 1 67 67 SER CA C 13 54.4544 . . 1 . . . . 67 SER CA . 16933 1 239 . 1 1 67 67 SER CB C 13 65.8848 . . 1 . . . . 67 SER CB . 16933 1 240 . 1 1 67 67 SER N N 15 107.8651 . . 1 . . . . 67 SER N . 16933 1 241 . 1 1 68 68 VAL H H 1 7.7138 . . 1 . . . . 68 VAL HN . 16933 1 242 . 1 1 68 68 VAL CA C 13 67.0483 . . 1 . . . . 68 VAL CA . 16933 1 243 . 1 1 68 68 VAL CB C 13 31.5165 . . 1 . . . . 68 VAL CB . 16933 1 244 . 1 1 68 68 VAL N N 15 119.3812 . . 1 . . . . 68 VAL N . 16933 1 245 . 1 1 69 69 GLY H H 1 8.8703 . . 1 . . . . 69 GLY HN . 16933 1 246 . 1 1 69 69 GLY CA C 13 44.4931 . . 1 . . . . 69 GLY CA . 16933 1 247 . 1 1 69 69 GLY N N 15 117.0902 . . 1 . . . . 69 GLY N . 16933 1 248 . 1 1 70 70 GLN H H 1 8.6359 . . 1 . . . . 70 GLN HN . 16933 1 249 . 1 1 70 70 GLN CA C 13 55.7006 . . 1 . . . . 70 GLN CA . 16933 1 250 . 1 1 70 70 GLN CB C 13 30.5755 . . 1 . . . . 70 GLN CB . 16933 1 251 . 1 1 70 70 GLN N N 15 123.2795 . . 1 . . . . 70 GLN N . 16933 1 252 . 1 1 71 71 ARG H H 1 8.8489 . . 1 . . . . 71 ARG HN . 16933 1 253 . 1 1 71 71 ARG CA C 13 53.8646 . . 1 . . . . 71 ARG CA . 16933 1 254 . 1 1 71 71 ARG CB C 13 33.7651 . . 1 . . . . 71 ARG CB . 16933 1 255 . 1 1 71 71 ARG N N 15 124.8863 . . 1 . . . . 71 ARG N . 16933 1 256 . 1 1 72 72 ALA H H 1 9.9632 . . 1 . . . . 72 ALA HN . 16933 1 257 . 1 1 72 72 ALA CA C 13 50.9934 . . 1 . . . . 72 ALA CA . 16933 1 258 . 1 1 72 72 ALA CB C 13 23.5044 . . 1 . . . . 72 ALA CB . 16933 1 259 . 1 1 72 72 ALA N N 15 131.3136 . . 1 . . . . 72 ALA N . 16933 1 260 . 1 1 73 73 LYS H H 1 9.2213 . . 1 . . . . 73 LYS HN . 16933 1 261 . 1 1 73 73 LYS CA C 13 54.7572 . . 1 . . . . 73 LYS CA . 16933 1 262 . 1 1 73 73 LYS CB C 13 34.4306 . . 1 . . . . 73 LYS CB . 16933 1 263 . 1 1 73 73 LYS N N 15 120.6748 . . 1 . . . . 73 LYS N . 16933 1 264 . 1 1 74 74 LEU H H 1 9.9672 . . 1 . . . . 74 LEU HN . 16933 1 265 . 1 1 74 74 LEU CA C 13 53.5382 . . 1 . . . . 74 LEU CA . 16933 1 266 . 1 1 74 74 LEU CB C 13 43.5382 . . 1 . . . . 74 LEU CB . 16933 1 267 . 1 1 74 74 LEU N N 15 130.4616 . . 1 . . . . 74 LEU N . 16933 1 268 . 1 1 75 75 THR H H 1 8.8609 . . 1 . . . . 75 THR HN . 16933 1 269 . 1 1 75 75 THR CA C 13 63.2267 . . 1 . . . . 75 THR CA . 16933 1 270 . 1 1 75 75 THR CB C 13 68.6256 . . 1 . . . . 75 THR CB . 16933 1 271 . 1 1 75 75 THR N N 15 122.0194 . . 1 . . . . 75 THR N . 16933 1 272 . 1 1 76 76 ILE H H 1 9.9596 . . 1 . . . . 76 ILE HN . 16933 1 273 . 1 1 76 76 ILE CA C 13 60.9707 . . 1 . . . . 76 ILE CA . 16933 1 274 . 1 1 76 76 ILE CB C 13 41.3744 . . 1 . . . . 76 ILE CB . 16933 1 275 . 1 1 76 76 ILE N N 15 129.7216 . . 1 . . . . 76 ILE N . 16933 1 276 . 1 1 77 77 SER H H 1 8.6898 . . 1 . . . . 77 SER HN . 16933 1 277 . 1 1 77 77 SER CA C 13 57.6984 . . 1 . . . . 77 SER CA . 16933 1 278 . 1 1 77 77 SER CB C 13 62.4762 . . 1 . . . . 77 SER CB . 16933 1 279 . 1 1 77 77 SER N N 15 123.5572 . . 1 . . . . 77 SER N . 16933 1 280 . 1 1 78 78 PRO CA C 13 65.6077 . . 1 . . . . 78 PRO CA . 16933 1 281 . 1 1 78 78 PRO CB C 13 30.8376 . . 1 . . . . 78 PRO CB . 16933 1 282 . 1 1 79 79 ASP H H 1 8.7916 . . 1 . . . . 79 ASP HN . 16933 1 283 . 1 1 79 79 ASP CA C 13 56.2846 . . 1 . . . . 79 ASP CA . 16933 1 284 . 1 1 79 79 ASP CB C 13 39.4876 . . 1 . . . . 79 ASP CB . 16933 1 285 . 1 1 79 79 ASP N N 15 116.0839 . . 1 . . . . 79 ASP N . 16933 1 286 . 1 1 80 80 TYR H H 1 8.1492 . . 1 . . . . 80 TYR HN . 16933 1 287 . 1 1 80 80 TYR CA C 13 57.3014 . . 1 . . . . 80 TYR CA . 16933 1 288 . 1 1 80 80 TYR CB C 13 39.0103 . . 1 . . . . 80 TYR CB . 16933 1 289 . 1 1 80 80 TYR N N 15 122.0495 . . 1 . . . . 80 TYR N . 16933 1 290 . 1 1 81 81 ALA H H 1 7.8248 . . 1 . . . . 81 ALA HN . 16933 1 291 . 1 1 81 81 ALA CA C 13 51.9487 . . 1 . . . . 81 ALA CA . 16933 1 292 . 1 1 81 81 ALA CB C 13 19.2194 . . 1 . . . . 81 ALA CB . 16933 1 293 . 1 1 81 81 ALA N N 15 125.5294 . . 1 . . . . 81 ALA N . 16933 1 294 . 1 1 82 82 TYR H H 1 9.1839 . . 1 . . . . 82 TYR HN . 16933 1 295 . 1 1 82 82 TYR CA C 13 58.8576 . . 1 . . . . 82 TYR CA . 16933 1 296 . 1 1 82 82 TYR CB C 13 37.9201 . . 1 . . . . 82 TYR CB . 16933 1 297 . 1 1 82 82 TYR N N 15 121.8474 . . 1 . . . . 82 TYR N . 16933 1 298 . 1 1 83 83 GLY H H 1 8.6423 . . 1 . . . . 83 GLY HN . 16933 1 299 . 1 1 83 83 GLY CA C 13 46.7558 . . 1 . . . . 83 GLY CA . 16933 1 300 . 1 1 83 83 GLY N N 15 108.2617 . . 1 . . . . 83 GLY N . 16933 1 301 . 1 1 84 84 ALA CA C 13 53.5100 . . 1 . . . . 84 ALA CA . 16933 1 302 . 1 1 85 85 THR H H 1 7.8972 . . 1 . . . . 85 THR HN . 16933 1 303 . 1 1 85 85 THR CA C 13 63.6808 . . 1 . . . . 85 THR CA . 16933 1 304 . 1 1 85 85 THR CB C 13 69.4550 . . 1 . . . . 85 THR CB . 16933 1 305 . 1 1 85 85 THR N N 15 107.9666 . . 1 . . . . 85 THR N . 16933 1 306 . 1 1 86 86 GLY H H 1 7.4279 . . 1 . . . . 86 GLY HN . 16933 1 307 . 1 1 86 86 GLY CA C 13 45.1864 . . 1 . . . . 86 GLY CA . 16933 1 308 . 1 1 86 86 GLY N N 15 107.2362 . . 1 . . . . 86 GLY N . 16933 1 309 . 1 1 90 90 ILE H H 1 8.1200 . . 1 . . . . 90 ILE HN . 16933 1 310 . 1 1 90 90 ILE CA C 13 63.6210 . . 1 . . . . 90 ILE CA . 16933 1 311 . 1 1 90 90 ILE CB C 13 42.2638 . . 1 . . . . 90 ILE CB . 16933 1 312 . 1 1 90 90 ILE N N 15 117.2935 . . 1 . . . . 90 ILE N . 16933 1 313 . 1 1 91 91 ILE H H 1 8.2680 . . 1 . . . . 91 ILE HN . 16933 1 314 . 1 1 91 91 ILE CA C 13 55.1905 . . 1 . . . . 91 ILE CA . 16933 1 315 . 1 1 91 91 ILE CB C 13 39.0347 . . 1 . . . . 91 ILE CB . 16933 1 316 . 1 1 91 91 ILE N N 15 118.7756 . . 1 . . . . 91 ILE N . 16933 1 317 . 1 1 93 93 PRO CA C 13 63.7114 . . 1 . . . . 93 PRO CA . 16933 1 318 . 1 1 94 94 HIS H H 1 7.9462 . . 1 . . . . 94 HIS HN . 16933 1 319 . 1 1 94 94 HIS CA C 13 57.1068 . . 1 . . . . 94 HIS CA . 16933 1 320 . 1 1 94 94 HIS CB C 13 28.0530 . . 1 . . . . 94 HIS CB . 16933 1 321 . 1 1 94 94 HIS N N 15 116.1364 . . 1 . . . . 94 HIS N . 16933 1 322 . 1 1 95 95 ALA H H 1 7.6983 . . 1 . . . . 95 ALA HN . 16933 1 323 . 1 1 95 95 ALA CA C 13 52.7616 . . 1 . . . . 95 ALA CA . 16933 1 324 . 1 1 95 95 ALA CB C 13 20.6477 . . 1 . . . . 95 ALA CB . 16933 1 325 . 1 1 95 95 ALA N N 15 122.1010 . . 1 . . . . 95 ALA N . 16933 1 326 . 1 1 96 96 THR H H 1 8.4756 . . 1 . . . . 96 THR HN . 16933 1 327 . 1 1 96 96 THR CA C 13 63.6774 . . 1 . . . . 96 THR CA . 16933 1 328 . 1 1 96 96 THR CB C 13 69.4727 . . 1 . . . . 96 THR CB . 16933 1 329 . 1 1 96 96 THR N N 15 123.2256 . . 1 . . . . 96 THR N . 16933 1 330 . 1 1 97 97 LEU H H 1 8.8393 . . 1 . . . . 97 LEU HN . 16933 1 331 . 1 1 97 97 LEU CA C 13 52.9188 . . 1 . . . . 97 LEU CA . 16933 1 332 . 1 1 97 97 LEU CB C 13 46.2853 . . 1 . . . . 97 LEU CB . 16933 1 333 . 1 1 97 97 LEU N N 15 124.8262 . . 1 . . . . 97 LEU N . 16933 1 334 . 1 1 98 98 VAL H H 1 8.7946 . . 1 . . . . 98 VAL HN . 16933 1 335 . 1 1 98 98 VAL CA C 13 60.7049 . . 1 . . . . 98 VAL CA . 16933 1 336 . 1 1 98 98 VAL CB C 13 34.1826 . . 1 . . . . 98 VAL CB . 16933 1 337 . 1 1 98 98 VAL N N 15 121.6337 . . 1 . . . . 98 VAL N . 16933 1 338 . 1 1 99 99 PHE H H 1 9.6696 . . 1 . . . . 99 PHE HN . 16933 1 339 . 1 1 99 99 PHE CA C 13 55.0173 . . 1 . . . . 99 PHE CA . 16933 1 340 . 1 1 99 99 PHE CB C 13 43.3533 . . 1 . . . . 99 PHE CB . 16933 1 341 . 1 1 99 99 PHE N N 15 122.5036 . . 1 . . . . 99 PHE N . 16933 1 342 . 1 1 100 100 ASP H H 1 8.9603 . . 1 . . . . 100 ASP HN . 16933 1 343 . 1 1 100 100 ASP CA C 13 52.8291 . . 1 . . . . 100 ASP CA . 16933 1 344 . 1 1 100 100 ASP CB C 13 42.7668 . . 1 . . . . 100 ASP CB . 16933 1 345 . 1 1 100 100 ASP N N 15 125.3000 . . 1 . . . . 100 ASP N . 16933 1 346 . 1 1 101 101 VAL H H 1 9.5352 . . 1 . . . . 101 VAL HN . 16933 1 347 . 1 1 101 101 VAL CA C 13 61.2859 . . 1 . . . . 101 VAL CA . 16933 1 348 . 1 1 101 101 VAL CB C 13 35.3195 . . 1 . . . . 101 VAL CB . 16933 1 349 . 1 1 101 101 VAL N N 15 126.7222 . . 1 . . . . 101 VAL N . 16933 1 350 . 1 1 102 102 GLU H H 1 9.1822 . . 1 . . . . 102 GLU HN . 16933 1 351 . 1 1 102 102 GLU CA C 13 53.9508 . . 1 . . . . 102 GLU CA . 16933 1 352 . 1 1 102 102 GLU CB C 13 33.8282 . . 1 . . . . 102 GLU CB . 16933 1 353 . 1 1 102 102 GLU N N 15 128.3014 . . 1 . . . . 102 GLU N . 16933 1 354 . 1 1 103 103 LEU H H 1 8.6608 . . 1 . . . . 103 LEU HN . 16933 1 355 . 1 1 103 103 LEU CA C 13 54.3205 . . 1 . . . . 103 LEU CA . 16933 1 356 . 1 1 103 103 LEU CB C 13 41.3841 . . 1 . . . . 103 LEU CB . 16933 1 357 . 1 1 103 103 LEU N N 15 128.5764 . . 1 . . . . 103 LEU N . 16933 1 358 . 1 1 104 104 LEU H H 1 9.1136 . . 1 . . . . 104 LEU HN . 16933 1 359 . 1 1 104 104 LEU CA C 13 57.3368 . . 1 . . . . 104 LEU CA . 16933 1 360 . 1 1 104 104 LEU CB C 13 43.0424 . . 1 . . . . 104 LEU CB . 16933 1 361 . 1 1 104 104 LEU N N 15 128.9964 . . 1 . . . . 104 LEU N . 16933 1 362 . 1 1 105 105 LYS H H 1 7.7262 . . 1 . . . . 105 LYS HN . 16933 1 363 . 1 1 105 105 LYS CA C 13 55.5129 . . 1 . . . . 105 LYS CA . 16933 1 364 . 1 1 105 105 LYS CB C 13 35.1898 . . 1 . . . . 105 LYS CB . 16933 1 365 . 1 1 105 105 LYS N N 15 112.2809 . . 1 . . . . 105 LYS N . 16933 1 366 . 1 1 106 106 LEU H H 1 8.2415 . . 1 . . . . 106 LEU HN . 16933 1 367 . 1 1 106 106 LEU CA C 13 50.1295 . . 1 . . . . 106 LEU CA . 16933 1 368 . 1 1 106 106 LEU CB C 13 44.1137 . . 1 . . . . 106 LEU CB . 16933 1 369 . 1 1 106 106 LEU N N 15 120.4142 . . 1 . . . . 106 LEU N . 16933 1 370 . 1 1 107 107 GLU H H 1 9.0030 . . 1 . . . . 107 GLU HN . 16933 1 371 . 1 1 107 107 GLU CA C 13 56.6300 . . 1 . . . . 107 GLU CA . 16933 1 372 . 1 1 107 107 GLU CB C 13 32.6265 . . 1 . . . . 107 GLU CB . 16933 1 373 . 1 1 107 107 GLU N N 15 127.0117 . . 1 . . . . 107 GLU N . 16933 1 stop_ save_