################################### # 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 51996 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'DNAJB6 JD' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51996 1 2 '3D CBCA(CO)NH' . . . 51996 1 3 '3D HNCACB' . . . 51996 1 4 '3D HN(CA)CO' . . . 51996 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 1 $software_1 . . 51996 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 VAL H H 1 8.086 . . . . . . . . 2 V HN . 51996 1 2 . 1 . 1 2 2 VAL CA C 13 61.883 . . . . . . . . 2 V CA . 51996 1 3 . 1 . 1 2 2 VAL CB C 13 32.962 . . . . . . . . 2 V CB . 51996 1 4 . 1 . 1 2 2 VAL N N 15 121.701 . . . . . . . . 2 V N . 51996 1 5 . 1 . 1 3 3 ASP H H 1 8.458 . . . . . . . . 3 D HN . 51996 1 6 . 1 . 1 3 3 ASP CA C 13 52.483 . . . . . . . . 3 D CA . 51996 1 7 . 1 . 1 3 3 ASP CB C 13 41.536 . . . . . . . . 3 D CB . 51996 1 8 . 1 . 1 3 3 ASP N N 15 125.475 . . . . . . . . 3 D N . 51996 1 9 . 1 . 1 4 4 TYR H H 1 7.708 . . . . . . . . 4 Y HN . 51996 1 10 . 1 . 1 4 4 TYR CA C 13 58.604 . . . . . . . . 4 Y CA . 51996 1 11 . 1 . 1 4 4 TYR CB C 13 38.051 . . . . . . . . 4 Y CB . 51996 1 12 . 1 . 1 4 4 TYR N N 15 123.066 . . . . . . . . 4 Y N . 51996 1 13 . 1 . 1 5 5 TYR H H 1 7.872 . . . . . . . . 5 Y HN . 51996 1 14 . 1 . 1 5 5 TYR CA C 13 62.690 . . . . . . . . 5 Y CA . 51996 1 15 . 1 . 1 5 5 TYR CB C 13 35.719 . . . . . . . . 5 Y CB . 51996 1 16 . 1 . 1 5 5 TYR N N 15 116.491 . . . . . . . . 5 Y N . 51996 1 17 . 1 . 1 6 6 GLU H H 1 7.627 . . . . . . . . 6 E HN . 51996 1 18 . 1 . 1 6 6 GLU CA C 13 59.085 . . . . . . . . 6 E CA . 51996 1 19 . 1 . 1 6 6 GLU CB C 13 29.274 . . . . . . . . 6 E CB . 51996 1 20 . 1 . 1 6 6 GLU N N 15 120.485 . . . . . . . . 6 E N . 51996 1 21 . 1 . 1 7 7 VAL H H 1 7.983 . . . . . . . . 7 V HN . 51996 1 22 . 1 . 1 7 7 VAL CA C 13 57.295 . . . . . . . . 7 V CA . 51996 1 23 . 1 . 1 7 7 VAL CB C 13 31.486 . . . . . . . . 7 V CB . 51996 1 24 . 1 . 1 7 7 VAL N N 15 119.804 . . . . . . . . 7 V N . 51996 1 25 . 1 . 1 8 8 LEU H H 1 6.961 . . . . . . . . 8 L HN . 51996 1 26 . 1 . 1 8 8 LEU CA C 13 54.617 . . . . . . . . 8 L CA . 51996 1 27 . 1 . 1 8 8 LEU CB C 13 42.582 . . . . . . . . 8 L CB . 51996 1 28 . 1 . 1 8 8 LEU N N 15 113.846 . . . . . . . . 8 L N . 51996 1 29 . 1 . 1 9 9 GLY H H 1 7.906 . . . . . . . . 9 G HN . 51996 1 30 . 1 . 1 9 9 GLY CA C 13 46.660 . . . . . . . . 9 G CA . 51996 1 31 . 1 . 1 9 9 GLY N N 15 108.910 . . . . . . . . 9 G N . 51996 1 32 . 1 . 1 10 10 VAL H H 1 7.831 . . . . . . . . 10 V HN . 51996 1 33 . 1 . 1 10 10 VAL CA C 13 58.262 . . . . . . . . 10 V CA . 51996 1 34 . 1 . 1 10 10 VAL CB C 13 34.719 . . . . . . . . 10 V CB . 51996 1 35 . 1 . 1 10 10 VAL N N 15 110.403 . . . . . . . . 10 V N . 51996 1 36 . 1 . 1 11 11 GLN H H 1 8.193 . . . . . . . . 11 Q HN . 51996 1 37 . 1 . 1 11 11 GLN CA C 13 54.636 . . . . . . . . 11 Q CA . 51996 1 38 . 1 . 1 11 11 GLN CB C 13 29.707 . . . . . . . . 11 Q CB . 51996 1 39 . 1 . 1 11 11 GLN N N 15 117.867 . . . . . . . . 11 Q N . 51996 1 40 . 1 . 1 12 12 ARG H H 1 8.186 . . . . . . . . 12 R HN . 51996 1 41 . 1 . 1 12 12 ARG CA C 13 58.271 . . . . . . . . 12 R CA . 51996 1 42 . 1 . 1 12 12 ARG CB C 13 29.640 . . . . . . . . 12 R CB . 51996 1 43 . 1 . 1 12 12 ARG N N 15 117.730 . . . . . . . . 12 R N . 51996 1 44 . 1 . 1 13 13 HIS H H 1 6.938 . . . . . . . . 13 H HN . 51996 1 45 . 1 . 1 13 13 HIS CA C 13 54.799 . . . . . . . . 13 H CA . 51996 1 46 . 1 . 1 13 13 HIS CB C 13 29.171 . . . . . . . . 13 H CB . 51996 1 47 . 1 . 1 13 13 HIS N N 15 111.985 . . . . . . . . 13 H N . 51996 1 48 . 1 . 1 14 14 ALA H H 1 7.474 . . . . . . . . 14 A HN . 51996 1 49 . 1 . 1 14 14 ALA CA C 13 52.819 . . . . . . . . 14 A CA . 51996 1 50 . 1 . 1 14 14 ALA CB C 13 19.383 . . . . . . . . 14 A CB . 51996 1 51 . 1 . 1 14 14 ALA N N 15 123.413 . . . . . . . . 14 A N . 51996 1 52 . 1 . 1 15 15 SER H H 1 9.237 . . . . . . . . 15 S HN . 51996 1 53 . 1 . 1 15 15 SER CA C 13 56.449 . . . . . . . . 15 S CA . 51996 1 54 . 1 . 1 15 15 SER CB C 13 63.249 . . . . . . . . 15 S CB . 51996 1 55 . 1 . 1 15 15 SER N N 15 119.988 . . . . . . . . 15 S N . 51996 1 56 . 1 . 1 16 16 PRO CA C 13 65.950 . . . . . . . . 16 P CA . 51996 1 57 . 1 . 1 16 16 PRO CB C 13 32.022 . . . . . . . . 16 P CB . 51996 1 58 . 1 . 1 17 17 GLU H H 1 8.352 . . . . . . . . 17 E HN . 51996 1 59 . 1 . 1 17 17 GLU CA C 13 59.799 . . . . . . . . 17 E CA . 51996 1 60 . 1 . 1 17 17 GLU CB C 13 29.221 . . . . . . . . 17 E CB . 51996 1 61 . 1 . 1 17 17 GLU N N 15 117.667 . . . . . . . . 17 E N . 51996 1 62 . 1 . 1 18 18 ASP H H 1 8.026 . . . . . . . . 18 D HN . 51996 1 63 . 1 . 1 18 18 ASP CA C 13 57.670 . . . . . . . . 18 D CA . 51996 1 64 . 1 . 1 18 18 ASP CB C 13 40.691 . . . . . . . . 18 D CB . 51996 1 65 . 1 . 1 18 18 ASP N N 15 122.122 . . . . . . . . 18 D N . 51996 1 66 . 1 . 1 19 19 ILE H H 1 7.985 . . . . . . . . 19 I HN . 51996 1 67 . 1 . 1 19 19 ILE CA C 13 65.805 . . . . . . . . 19 I CA . 51996 1 68 . 1 . 1 19 19 ILE CB C 13 37.952 . . . . . . . . 19 I CB . 51996 1 69 . 1 . 1 19 19 ILE N N 15 122.005 . . . . . . . . 19 I N . 51996 1 70 . 1 . 1 20 20 LYS H H 1 7.962 . . . . . . . . 20 K HN . 51996 1 71 . 1 . 1 20 20 LYS CA C 13 60.850 . . . . . . . . 20 K CA . 51996 1 72 . 1 . 1 20 20 LYS CB C 13 32.631 . . . . . . . . 20 K CB . 51996 1 73 . 1 . 1 20 20 LYS N N 15 120.236 . . . . . . . . 20 K N . 51996 1 74 . 1 . 1 21 21 LYS H H 1 8.227 . . . . . . . . 21 K HN . 51996 1 75 . 1 . 1 21 21 LYS CA C 13 60.260 . . . . . . . . 21 K CA . 51996 1 76 . 1 . 1 21 21 LYS CB C 13 32.750 . . . . . . . . 21 K CB . 51996 1 77 . 1 . 1 21 21 LYS N N 15 118.436 . . . . . . . . 21 K N . 51996 1 78 . 1 . 1 22 22 ALA H H 1 7.783 . . . . . . . . 22 A HN . 51996 1 79 . 1 . 1 22 22 ALA CA C 13 55.300 . . . . . . . . 22 A CA . 51996 1 80 . 1 . 1 22 22 ALA CB C 13 18.989 . . . . . . . . 22 A CB . 51996 1 81 . 1 . 1 22 22 ALA N N 15 122.307 . . . . . . . . 22 A N . 51996 1 82 . 1 . 1 23 23 TYR H H 1 8.266 . . . . . . . . 23 Y HN . 51996 1 83 . 1 . 1 23 23 TYR CA C 13 61.011 . . . . . . . . 23 Y CA . 51996 1 84 . 1 . 1 23 23 TYR CB C 13 38.982 . . . . . . . . 23 Y CB . 51996 1 85 . 1 . 1 23 23 TYR N N 15 117.441 . . . . . . . . 23 Y N . 51996 1 86 . 1 . 1 24 24 ARG H H 1 8.114 . . . . . . . . 24 R HN . 51996 1 87 . 1 . 1 24 24 ARG CA C 13 59.514 . . . . . . . . 24 R CA . 51996 1 88 . 1 . 1 24 24 ARG CB C 13 29.593 . . . . . . . . 24 R CB . 51996 1 89 . 1 . 1 24 24 ARG N N 15 117.400 . . . . . . . . 24 R N . 51996 1 90 . 1 . 1 25 25 LYS H H 1 7.391 . . . . . . . . 25 K HN . 51996 1 91 . 1 . 1 25 25 LYS CA C 13 59.511 . . . . . . . . 25 K CA . 51996 1 92 . 1 . 1 25 25 LYS CB C 13 32.568 . . . . . . . . 25 K CB . 51996 1 93 . 1 . 1 25 25 LYS N N 15 116.962 . . . . . . . . 25 K N . 51996 1 94 . 1 . 1 26 26 LEU H H 1 7.964 . . . . . . . . 26 L HN . 51996 1 95 . 1 . 1 26 26 LEU CA C 13 57.608 . . . . . . . . 26 L CA . 51996 1 96 . 1 . 1 26 26 LEU CB C 13 43.227 . . . . . . . . 26 L CB . 51996 1 97 . 1 . 1 26 26 LEU N N 15 121.550 . . . . . . . . 26 L N . 51996 1 98 . 1 . 1 27 27 ALA H H 1 8.934 . . . . . . . . 27 A HN . 51996 1 99 . 1 . 1 27 27 ALA CA C 13 54.984 . . . . . . . . 27 A CA . 51996 1 100 . 1 . 1 27 27 ALA CB C 13 16.990 . . . . . . . . 27 A CB . 51996 1 101 . 1 . 1 27 27 ALA N N 15 122.813 . . . . . . . . 27 A N . 51996 1 102 . 1 . 1 28 28 LEU H H 1 6.979 . . . . . . . . 28 L HN . 51996 1 103 . 1 . 1 28 28 LEU CA C 13 57.295 . . . . . . . . 28 L CA . 51996 1 104 . 1 . 1 28 28 LEU CB C 13 42.064 . . . . . . . . 28 L CB . 51996 1 105 . 1 . 1 28 28 LEU N N 15 115.488 . . . . . . . . 28 L N . 51996 1 106 . 1 . 1 29 29 LYS H H 1 7.322 . . . . . . . . 29 K HN . 51996 1 107 . 1 . 1 29 29 LYS CA C 13 58.997 . . . . . . . . 29 K CA . 51996 1 108 . 1 . 1 29 29 LYS CB C 13 33.151 . . . . . . . . 29 K CB . 51996 1 109 . 1 . 1 29 29 LYS N N 15 118.239 . . . . . . . . 29 K N . 51996 1 110 . 1 . 1 30 30 TRP H H 1 7.955 . . . . . . . . 30 W HN . 51996 1 111 . 1 . 1 30 30 TRP CA C 13 56.116 . . . . . . . . 30 W CA . 51996 1 112 . 1 . 1 30 30 TRP CB C 13 29.800 . . . . . . . . 30 W CB . 51996 1 113 . 1 . 1 30 30 TRP N N 15 114.151 . . . . . . . . 30 W N . 51996 1 114 . 1 . 1 31 31 HIS H H 1 7.092 . . . . . . . . 31 H HN . 51996 1 115 . 1 . 1 31 31 HIS CA C 13 57.277 . . . . . . . . 31 H CA . 51996 1 116 . 1 . 1 31 31 HIS CB C 13 30.912 . . . . . . . . 31 H CB . 51996 1 117 . 1 . 1 31 31 HIS N N 15 120.833 . . . . . . . . 31 H N . 51996 1 118 . 1 . 1 32 32 PRO CA C 13 66.290 . . . . . . . . 32 P CA . 51996 1 119 . 1 . 1 32 32 PRO CB C 13 32.005 . . . . . . . . 32 P CB . 51996 1 120 . 1 . 1 33 33 ASP H H 1 10.637 . . . . . . . . 33 D HN . 51996 1 121 . 1 . 1 33 33 ASP CA C 13 56.829 . . . . . . . . 33 D CA . 51996 1 122 . 1 . 1 33 33 ASP CB C 13 39.957 . . . . . . . . 33 D CB . 51996 1 123 . 1 . 1 33 33 ASP N N 15 120.181 . . . . . . . . 33 D N . 51996 1 124 . 1 . 1 34 34 LYS H H 1 7.779 . . . . . . . . 34 K HN . 51996 1 125 . 1 . 1 34 34 LYS CA C 13 54.426 . . . . . . . . 34 K CA . 51996 1 126 . 1 . 1 34 34 LYS CB C 13 32.361 . . . . . . . . 34 K CB . 51996 1 127 . 1 . 1 34 34 LYS N N 15 116.399 . . . . . . . . 34 K N . 51996 1 128 . 1 . 1 35 35 ASN H H 1 7.487 . . . . . . . . 35 N HN . 51996 1 129 . 1 . 1 35 35 ASN CA C 13 57.968 . . . . . . . . 35 N CA . 51996 1 130 . 1 . 1 35 35 ASN CB C 13 42.140 . . . . . . . . 35 N CB . 51996 1 131 . 1 . 1 35 35 ASN N N 15 118.807 . . . . . . . . 35 N N . 51996 1 132 . 1 . 1 36 36 PRO CA C 13 65.250 . . . . . . . . 36 P CA . 51996 1 133 . 1 . 1 36 36 PRO CB C 13 31.605 . . . . . . . . 36 P CB . 51996 1 134 . 1 . 1 37 37 GLU H H 1 8.682 . . . . . . . . 37 E HN . 51996 1 135 . 1 . 1 37 37 GLU CA C 13 56.899 . . . . . . . . 37 E CA . 51996 1 136 . 1 . 1 37 37 GLU CB C 13 29.326 . . . . . . . . 37 E CB . 51996 1 137 . 1 . 1 37 37 GLU N N 15 117.210 . . . . . . . . 37 E N . 51996 1 138 . 1 . 1 38 38 ASN H H 1 7.864 . . . . . . . . 38 N HN . 51996 1 139 . 1 . 1 38 38 ASN CA C 13 52.237 . . . . . . . . 38 N CA . 51996 1 140 . 1 . 1 38 38 ASN CB C 13 38.756 . . . . . . . . 38 N CB . 51996 1 141 . 1 . 1 38 38 ASN N N 15 120.016 . . . . . . . . 38 N N . 51996 1 142 . 1 . 1 39 39 LYS H H 1 8.081 . . . . . . . . 39 K HN . 51996 1 143 . 1 . 1 39 39 LYS CA C 13 61.045 . . . . . . . . 39 K CA . 51996 1 144 . 1 . 1 39 39 LYS CB C 13 33.132 . . . . . . . . 39 K CB . 51996 1 145 . 1 . 1 39 39 LYS N N 15 121.999 . . . . . . . . 39 K N . 51996 1 146 . 1 . 1 40 40 GLU H H 1 8.532 . . . . . . . . 40 E HN . 51996 1 147 . 1 . 1 40 40 GLU CA C 13 60.353 . . . . . . . . 40 E CA . 51996 1 148 . 1 . 1 40 40 GLU CB C 13 28.762 . . . . . . . . 40 E CB . 51996 1 149 . 1 . 1 40 40 GLU N N 15 118.991 . . . . . . . . 40 E N . 51996 1 150 . 1 . 1 41 41 GLU H H 1 8.167 . . . . . . . . 41 E HN . 51996 1 151 . 1 . 1 41 41 GLU N N 15 120.414 . . . . . . . . 41 E N . 51996 1 152 . 1 . 1 42 42 ALA H H 1 8.013 . . . . . . . . 42 A HN . 51996 1 153 . 1 . 1 42 42 ALA CA C 13 55.822 . . . . . . . . 42 A CA . 51996 1 154 . 1 . 1 42 42 ALA CB C 13 17.895 . . . . . . . . 42 A CB . 51996 1 155 . 1 . 1 42 42 ALA N N 15 120.503 . . . . . . . . 42 A N . 51996 1 156 . 1 . 1 43 43 GLU H H 1 8.476 . . . . . . . . 43 E HN . 51996 1 157 . 1 . 1 43 43 GLU CA C 13 60.089 . . . . . . . . 43 E CA . 51996 1 158 . 1 . 1 43 43 GLU CB C 13 29.464 . . . . . . . . 43 E CB . 51996 1 159 . 1 . 1 43 43 GLU N N 15 116.845 . . . . . . . . 43 E N . 51996 1 160 . 1 . 1 44 44 ARG H H 1 7.438 . . . . . . . . 44 R HN . 51996 1 161 . 1 . 1 44 44 ARG CA C 13 67.461 . . . . . . . . 44 R CA . 51996 1 162 . 1 . 1 44 44 ARG CB C 13 32.970 . . . . . . . . 44 R CB . 51996 1 163 . 1 . 1 44 44 ARG N N 15 118.749 . . . . . . . . 44 R N . 51996 1 164 . 1 . 1 45 45 LYS H H 1 8.105 . . . . . . . . 45 K HN . 51996 1 165 . 1 . 1 45 45 LYS CA C 13 58.326 . . . . . . . . 45 K CA . 51996 1 166 . 1 . 1 45 45 LYS CB C 13 30.804 . . . . . . . . 45 K CB . 51996 1 167 . 1 . 1 45 45 LYS N N 15 120.523 . . . . . . . . 45 K N . 51996 1 168 . 1 . 1 46 46 PHE H H 1 9.316 . . . . . . . . 46 F HN . 51996 1 169 . 1 . 1 46 46 PHE CA C 13 62.238 . . . . . . . . 46 F CA . 51996 1 170 . 1 . 1 46 46 PHE CB C 13 39.224 . . . . . . . . 46 F CB . 51996 1 171 . 1 . 1 46 46 PHE N N 15 120.676 . . . . . . . . 46 F N . 51996 1 172 . 1 . 1 47 47 LYS H H 1 7.979 . . . . . . . . 47 K HN . 51996 1 173 . 1 . 1 47 47 LYS CB C 13 32.332 . . . . . . . . 47 K CB . 51996 1 174 . 1 . 1 47 47 LYS N N 15 118.428 . . . . . . . . 47 K N . 51996 1 175 . 1 . 1 48 48 GLN H H 1 7.540 . . . . . . . . 48 Q HN . 51996 1 176 . 1 . 1 48 48 GLN CB C 13 28.973 . . . . . . . . 48 Q CB . 51996 1 177 . 1 . 1 48 48 GLN N N 15 118.744 . . . . . . . . 48 Q N . 51996 1 178 . 1 . 1 49 49 VAL H H 1 8.032 . . . . . . . . 49 V HN . 51996 1 179 . 1 . 1 49 49 VAL CA C 13 66.536 . . . . . . . . 49 V CA . 51996 1 180 . 1 . 1 49 49 VAL CB C 13 31.746 . . . . . . . . 49 V CB . 51996 1 181 . 1 . 1 49 49 VAL N N 15 120.434 . . . . . . . . 49 V N . 51996 1 182 . 1 . 1 50 50 ALA H H 1 8.002 . . . . . . . . 50 A HN . 51996 1 183 . 1 . 1 50 50 ALA CA C 13 54.274 . . . . . . . . 50 A CA . 51996 1 184 . 1 . 1 50 50 ALA CB C 13 17.709 . . . . . . . . 50 A CB . 51996 1 185 . 1 . 1 50 50 ALA N N 15 121.959 . . . . . . . . 50 A N . 51996 1 186 . 1 . 1 51 51 GLU H H 1 7.866 . . . . . . . . 51 E HN . 51996 1 187 . 1 . 1 51 51 GLU CA C 13 59.342 . . . . . . . . 51 E CA . 51996 1 188 . 1 . 1 51 51 GLU CB C 13 29.664 . . . . . . . . 51 E CB . 51996 1 189 . 1 . 1 51 51 GLU N N 15 119.586 . . . . . . . . 51 E N . 51996 1 190 . 1 . 1 52 52 ALA H H 1 7.649 . . . . . . . . 52 A HN . 51996 1 191 . 1 . 1 52 52 ALA CA C 13 54.176 . . . . . . . . 52 A CA . 51996 1 192 . 1 . 1 52 52 ALA CB C 13 18.866 . . . . . . . . 52 A CB . 51996 1 193 . 1 . 1 52 52 ALA N N 15 119.504 . . . . . . . . 52 A N . 51996 1 194 . 1 . 1 53 53 TYR H H 1 8.173 . . . . . . . . 53 Y HN . 51996 1 195 . 1 . 1 53 53 TYR CA C 13 61.470 . . . . . . . . 53 Y CA . 51996 1 196 . 1 . 1 53 53 TYR CB C 13 39.530 . . . . . . . . 53 Y CB . 51996 1 197 . 1 . 1 53 53 TYR N N 15 116.305 . . . . . . . . 53 Y N . 51996 1 198 . 1 . 1 54 54 GLU H H 1 8.024 . . . . . . . . 54 E HN . 51996 1 199 . 1 . 1 54 54 GLU CA C 13 59.469 . . . . . . . . 54 E CA . 51996 1 200 . 1 . 1 54 54 GLU CB C 13 28.818 . . . . . . . . 54 E CB . 51996 1 201 . 1 . 1 54 54 GLU N N 15 121.579 . . . . . . . . 54 E N . 51996 1 202 . 1 . 1 55 55 VAL H H 1 6.531 . . . . . . . . 55 V HN . 51996 1 203 . 1 . 1 55 55 VAL CA C 13 65.663 . . . . . . . . 55 V CA . 51996 1 204 . 1 . 1 55 55 VAL CB C 13 31.730 . . . . . . . . 55 V CB . 51996 1 205 . 1 . 1 55 55 VAL N N 15 114.994 . . . . . . . . 55 V N . 51996 1 206 . 1 . 1 56 56 LEU H H 1 7.529 . . . . . . . . 56 L HN . 51996 1 207 . 1 . 1 56 56 LEU CA C 13 56.638 . . . . . . . . 56 L CA . 51996 1 208 . 1 . 1 56 56 LEU CB C 13 41.771 . . . . . . . . 56 L CB . 51996 1 209 . 1 . 1 56 56 LEU N N 15 110.671 . . . . . . . . 56 L N . 51996 1 210 . 1 . 1 57 57 SER H H 1 7.735 . . . . . . . . 57 S HN . 51996 1 211 . 1 . 1 57 57 SER CA C 13 59.143 . . . . . . . . 57 S CA . 51996 1 212 . 1 . 1 57 57 SER CB C 13 63.558 . . . . . . . . 57 S CB . 51996 1 213 . 1 . 1 57 57 SER N N 15 109.098 . . . . . . . . 57 S N . 51996 1 214 . 1 . 1 58 58 ASP H H 1 6.807 . . . . . . . . 58 D HN . 51996 1 215 . 1 . 1 58 58 ASP CA C 13 52.396 . . . . . . . . 58 D CA . 51996 1 216 . 1 . 1 58 58 ASP CB C 13 43.360 . . . . . . . . 58 D CB . 51996 1 217 . 1 . 1 58 58 ASP N N 15 124.947 . . . . . . . . 58 D N . 51996 1 218 . 1 . 1 59 59 ALA H H 1 8.735 . . . . . . . . 59 A HN . 51996 1 219 . 1 . 1 59 59 ALA CA C 13 55.901 . . . . . . . . 59 A CA . 51996 1 220 . 1 . 1 59 59 ALA CB C 13 18.610 . . . . . . . . 59 A CB . 51996 1 221 . 1 . 1 59 59 ALA N N 15 127.725 . . . . . . . . 59 A N . 51996 1 222 . 1 . 1 60 60 LYS H H 1 7.855 . . . . . . . . 60 K HN . 51996 1 223 . 1 . 1 60 60 LYS CA C 13 59.172 . . . . . . . . 60 K CA . 51996 1 224 . 1 . 1 60 60 LYS CB C 13 31.999 . . . . . . . . 60 K CB . 51996 1 225 . 1 . 1 60 60 LYS N N 15 116.328 . . . . . . . . 60 K N . 51996 1 226 . 1 . 1 61 61 LYS H H 1 8.120 . . . . . . . . 61 K HN . 51996 1 227 . 1 . 1 61 61 LYS CA C 13 60.120 . . . . . . . . 61 K CA . 51996 1 228 . 1 . 1 61 61 LYS CB C 13 32.744 . . . . . . . . 61 K CB . 51996 1 229 . 1 . 1 61 61 LYS N N 15 120.446 . . . . . . . . 61 K N . 51996 1 230 . 1 . 1 62 62 ARG H H 1 9.334 . . . . . . . . 62 R HN . 51996 1 231 . 1 . 1 62 62 ARG CA C 13 60.272 . . . . . . . . 62 R CA . 51996 1 232 . 1 . 1 62 62 ARG CB C 13 29.743 . . . . . . . . 62 R CB . 51996 1 233 . 1 . 1 62 62 ARG N N 15 123.159 . . . . . . . . 62 R N . 51996 1 234 . 1 . 1 63 63 ASP H H 1 7.535 . . . . . . . . 63 D HN . 51996 1 235 . 1 . 1 63 63 ASP CA C 13 57.584 . . . . . . . . 63 D CA . 51996 1 236 . 1 . 1 63 63 ASP CB C 13 41.572 . . . . . . . . 63 D CB . 51996 1 237 . 1 . 1 63 63 ASP N N 15 117.696 . . . . . . . . 63 D N . 51996 1 238 . 1 . 1 64 64 ILE H H 1 7.324 . . . . . . . . 64 I HN . 51996 1 239 . 1 . 1 64 64 ILE CA C 13 64.544 . . . . . . . . 64 I CA . 51996 1 240 . 1 . 1 64 64 ILE CB C 13 38.042 . . . . . . . . 64 I CB . 51996 1 241 . 1 . 1 64 64 ILE N N 15 118.015 . . . . . . . . 64 I N . 51996 1 242 . 1 . 1 65 65 TYR H H 1 8.335 . . . . . . . . 65 Y HN . 51996 1 243 . 1 . 1 65 65 TYR CA C 13 61.642 . . . . . . . . 65 Y CA . 51996 1 244 . 1 . 1 65 65 TYR CB C 13 38.786 . . . . . . . . 65 Y CB . 51996 1 245 . 1 . 1 65 65 TYR N N 15 122.803 . . . . . . . . 65 Y N . 51996 1 246 . 1 . 1 66 66 ASP H H 1 9.108 . . . . . . . . 66 D HN . 51996 1 247 . 1 . 1 66 66 ASP CA C 13 56.691 . . . . . . . . 66 D CA . 51996 1 248 . 1 . 1 66 66 ASP CB C 13 40.340 . . . . . . . . 66 D CB . 51996 1 249 . 1 . 1 66 66 ASP N N 15 119.954 . . . . . . . . 66 D N . 51996 1 250 . 1 . 1 67 67 LYS H H 1 7.472 . . . . . . . . 67 K HN . 51996 1 251 . 1 . 1 67 67 LYS CA C 13 58.430 . . . . . . . . 67 K CA . 51996 1 252 . 1 . 1 67 67 LYS CB C 13 33.275 . . . . . . . . 67 K CB . 51996 1 253 . 1 . 1 67 67 LYS N N 15 117.899 . . . . . . . . 67 K N . 51996 1 254 . 1 . 1 68 68 TYR H H 1 7.972 . . . . . . . . 68 Y HN . 51996 1 255 . 1 . 1 68 68 TYR CA C 13 58.018 . . . . . . . . 68 Y CA . 51996 1 256 . 1 . 1 68 68 TYR CB C 13 39.224 . . . . . . . . 68 Y CB . 51996 1 257 . 1 . 1 68 68 TYR N N 15 116.999 . . . . . . . . 68 Y N . 51996 1 258 . 1 . 1 69 69 GLY H H 1 8.178 . . . . . . . . 69 G HN . 51996 1 259 . 1 . 1 69 69 GLY CA C 13 45.333 . . . . . . . . 69 G CA . 51996 1 260 . 1 . 1 69 69 GLY N N 15 119.841 . . . . . . . . 69 G N . 51996 1 261 . 1 . 1 70 70 LYS H H 1 8.584 . . . . . . . . 70 K HN . 51996 1 262 . 1 . 1 70 70 LYS CA C 13 58.480 . . . . . . . . 70 K CA . 51996 1 263 . 1 . 1 70 70 LYS CB C 13 32.822 . . . . . . . . 70 K CB . 51996 1 264 . 1 . 1 70 70 LYS N N 15 120.322 . . . . . . . . 70 K N . 51996 1 265 . 1 . 1 71 71 GLU H H 1 8.859 . . . . . . . . 71 E HN . 51996 1 266 . 1 . 1 71 71 GLU CA C 13 58.190 . . . . . . . . 71 E CA . 51996 1 267 . 1 . 1 71 71 GLU CB C 13 29.310 . . . . . . . . 71 E CB . 51996 1 268 . 1 . 1 71 71 GLU N N 15 118.554 . . . . . . . . 71 E N . 51996 1 269 . 1 . 1 72 72 GLY H H 1 7.644 . . . . . . . . 72 G HN . 51996 1 270 . 1 . 1 72 72 GLY CA C 13 45.693 . . . . . . . . 72 G CA . 51996 1 271 . 1 . 1 72 72 GLY N N 15 105.337 . . . . . . . . 72 G N . 51996 1 stop_ save_