################################### # 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 12033 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 12033 1 2 '3D HNCO' 1 $sample_1 isotropic 12033 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 12033 1 4 '3D HNCACB' 1 $sample_1 isotropic 12033 1 5 '3D HNCA' 1 $sample_1 isotropic 12033 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.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 3 3 SER CA C 13 58.595 . . 1 . . . . . 3 S CA . 12033 1 2 . 1 1 3 3 SER CB C 13 64.135 . . 1 . . . . . 3 S CB . 12033 1 3 . 1 1 4 4 SER H H 1 8.454 . . 1 . . . . . 4 S HN . 12033 1 4 . 1 1 4 4 SER CA C 13 58.805 . . 1 . . . . . 4 S CA . 12033 1 5 . 1 1 4 4 SER CB C 13 63.965 . . 1 . . . . . 4 S CB . 12033 1 6 . 1 1 4 4 SER N N 15 117.538 . . 1 . . . . . 4 S N . 12033 1 7 . 1 1 11 11 SER C C 13 175.043 . . 1 . . . . . 11 S CO . 12033 1 8 . 1 1 11 11 SER CA C 13 58.741 . . 1 . . . . . 11 S CA . 12033 1 9 . 1 1 11 11 SER CB C 13 64.001 . . 1 . . . . . 11 S CB . 12033 1 10 . 1 1 12 12 SER H H 1 8.396 . . 1 . . . . . 12 S HN . 12033 1 11 . 1 1 12 12 SER C C 13 175.333 . . 1 . . . . . 12 S CO . 12033 1 12 . 1 1 12 12 SER CA C 13 59.053 . . 1 . . . . . 12 S CA . 12033 1 13 . 1 1 12 12 SER CB C 13 64.053 . . 1 . . . . . 12 S CB . 12033 1 14 . 1 1 12 12 SER N N 15 117.94 . . 1 . . . . . 12 S N . 12033 1 15 . 1 1 13 13 GLY H H 1 8.257 . . 1 . . . . . 13 G HN . 12033 1 16 . 1 1 13 13 GLY C C 13 174.166 . . 1 . . . . . 13 G CO . 12033 1 17 . 1 1 13 13 GLY CA C 13 45.489 . . 1 . . . . . 13 G CA . 12033 1 18 . 1 1 13 13 GLY N N 15 110.254 . . 1 . . . . . 13 G N . 12033 1 19 . 1 1 14 14 LEU H H 1 7.924 . . 1 . . . . . 14 L HN . 12033 1 20 . 1 1 14 14 LEU C C 13 177.586 . . 1 . . . . . 14 L CO . 12033 1 21 . 1 1 14 14 LEU CA C 13 55.33 . . 1 . . . . . 14 L CA . 12033 1 22 . 1 1 14 14 LEU CB C 13 42.555 . . 1 . . . . . 14 L CB . 12033 1 23 . 1 1 14 14 LEU N N 15 121.015 . . 1 . . . . . 14 L N . 12033 1 24 . 1 1 15 15 VAL H H 1 8.033 . . 1 . . . . . 15 V HN . 12033 1 25 . 1 1 15 15 VAL CA C 13 60.139 . . 1 . . . . . 15 V CA . 12033 1 26 . 1 1 15 15 VAL CB C 13 32.842 . . 1 . . . . . 15 V CB . 12033 1 27 . 1 1 15 15 VAL N N 15 122.799 . . 1 . . . . . 15 V N . 12033 1 28 . 1 1 16 16 PRO C C 13 177.213 . . 1 . . . . . 16 P CO . 12033 1 29 . 1 1 16 16 PRO CA C 13 63.331 . . 1 . . . . . 16 P CA . 12033 1 30 . 1 1 16 16 PRO CB C 13 32.404 . . 1 . . . . . 16 P CB . 12033 1 31 . 1 1 17 17 ARG H H 1 8.418 . . 1 . . . . . 17 R HN . 12033 1 32 . 1 1 17 17 ARG C C 13 177.407 . . 1 . . . . . 17 R CO . 12033 1 33 . 1 1 17 17 ARG CA C 13 56.739 . . 1 . . . . . 17 R CA . 12033 1 34 . 1 1 17 17 ARG CB C 13 31.106 . . 1 . . . . . 17 R CB . 12033 1 35 . 1 1 17 17 ARG N N 15 121.924 . . 1 . . . . . 17 R N . 12033 1 36 . 1 1 18 18 GLY H H 1 8.401 . . 1 . . . . . 18 G HN . 12033 1 37 . 1 1 18 18 GLY C C 13 174.578 . . 1 . . . . . 18 G CO . 12033 1 38 . 1 1 18 18 GLY CA C 13 45.513 . . 1 . . . . . 18 G CA . 12033 1 39 . 1 1 18 18 GLY N N 15 110.1 . . 1 . . . . . 18 G N . 12033 1 40 . 1 1 19 19 SER H H 1 8.129 . . 1 . . . . . 19 S HN . 12033 1 41 . 1 1 19 19 SER CA C 13 58.901 . . 1 . . . . . 19 S CA . 12033 1 42 . 1 1 19 19 SER CB C 13 64.044 . . 1 . . . . . 19 S CB . 12033 1 43 . 1 1 19 19 SER N N 15 115.309 . . 1 . . . . . 19 S N . 12033 1 44 . 1 1 20 20 HIS C C 13 175.67 . . 1 . . . . . 20 H CO . 12033 1 45 . 1 1 20 20 HIS CA C 13 56.678 . . 1 . . . . . 20 H CA . 12033 1 46 . 1 1 20 20 HIS CB C 13 30.53 . . 1 . . . . . 20 H CB . 12033 1 47 . 1 1 21 21 MET H H 1 8.053 . . 1 . . . . . 21 M HN . 12033 1 48 . 1 1 21 21 MET CA C 13 55.825 . . 1 . . . . . 21 M CA . 12033 1 49 . 1 1 21 21 MET CB C 13 32.825 . . 1 . . . . . 21 M CB . 12033 1 50 . 1 1 21 21 MET N N 15 120.476 . . 1 . . . . . 21 M N . 12033 1 51 . 1 1 22 22 ASN H H 1 8.364 . . 1 . . . . . 22 N HN . 12033 1 52 . 1 1 22 22 ASN C C 13 175.497 . . 1 . . . . . 22 N CO . 12033 1 53 . 1 1 22 22 ASN CA C 13 53.54 . . 1 . . . . . 22 N CA . 12033 1 54 . 1 1 22 22 ASN CB C 13 38.911 . . 1 . . . . . 22 N CB . 12033 1 55 . 1 1 22 22 ASN N N 15 119.823 . . 1 . . . . . 22 N N . 12033 1 56 . 1 1 23 23 VAL H H 1 7.927 . . 1 . . . . . 23 V HN . 12033 1 57 . 1 1 23 23 VAL C C 13 176.559 . . 1 . . . . . 23 V CO . 12033 1 58 . 1 1 23 23 VAL CA C 13 62.929 . . 1 . . . . . 23 V CA . 12033 1 59 . 1 1 23 23 VAL CB C 13 32.945 . . 1 . . . . . 23 V CB . 12033 1 60 . 1 1 23 23 VAL N N 15 120.385 . . 1 . . . . . 23 V N . 12033 1 61 . 1 1 24 24 LYS H H 1 8.247 . . 1 . . . . . 24 K HN . 12033 1 62 . 1 1 24 24 LYS C C 13 176.935 . . 1 . . . . . 24 K CO . 12033 1 63 . 1 1 24 24 LYS CA C 13 56.796 . . 1 . . . . . 24 K CA . 12033 1 64 . 1 1 24 24 LYS CB C 13 33.04 . . 1 . . . . . 24 K CB . 12033 1 65 . 1 1 24 24 LYS N N 15 124.8 . . 1 . . . . . 24 K N . 12033 1 66 . 1 1 25 25 ARG H H 1 8.21 . . 1 . . . . . 25 R HN . 12033 1 67 . 1 1 25 25 ARG C C 13 176.643 . . 1 . . . . . 25 R CO . 12033 1 68 . 1 1 25 25 ARG CA C 13 56.425 . . 1 . . . . . 25 R CA . 12033 1 69 . 1 1 25 25 ARG CB C 13 31.071 . . 1 . . . . . 25 R CB . 12033 1 70 . 1 1 25 25 ARG N N 15 122.515 . . 1 . . . . . 25 R N . 12033 1 71 . 1 1 26 26 ARG H H 1 8.351 . . 1 . . . . . 26 R HN . 12033 1 72 . 1 1 26 26 ARG C C 13 176.87 . . 1 . . . . . 26 R CO . 12033 1 73 . 1 1 26 26 ARG CA C 13 56.596 . . 1 . . . . . 26 R CA . 12033 1 74 . 1 1 26 26 ARG CB C 13 31.08 . . 1 . . . . . 26 R CB . 12033 1 75 . 1 1 26 26 ARG N N 15 122.66 . . 1 . . . . . 26 R N . 12033 1 76 . 1 1 27 27 THR H H 1 8.106 . . 1 . . . . . 27 T HN . 12033 1 77 . 1 1 27 27 THR C C 13 176.709 . . 1 . . . . . 27 T CO . 12033 1 78 . 1 1 27 27 THR CA C 13 62.3 . . 1 . . . . . 27 T CA . 12033 1 79 . 1 1 27 27 THR CB C 13 70.13 . . 1 . . . . . 27 T CB . 12033 1 80 . 1 1 27 27 THR N N 15 115.135 . . 1 . . . . . 27 T N . 12033 1 81 . 1 1 28 28 HIS H H 1 8.266 . . 1 . . . . . 28 H HN . 12033 1 82 . 1 1 28 28 HIS C C 13 175.318 . . 1 . . . . . 28 H CO . 12033 1 83 . 1 1 28 28 HIS CA C 13 56.625 . . 1 . . . . . 28 H CA . 12033 1 84 . 1 1 28 28 HIS CB C 13 31.063 . . 1 . . . . . 28 H CB . 12033 1 85 . 1 1 28 28 HIS N N 15 121.524 . . 1 . . . . . 28 H N . 12033 1 86 . 1 1 29 29 ASN H H 1 8.374 . . 1 . . . . . 29 N HN . 12033 1 87 . 1 1 29 29 ASN C C 13 175.915 . . 1 . . . . . 29 N CO . 12033 1 88 . 1 1 29 29 ASN CA C 13 53.759 . . 1 . . . . . 29 N CA . 12033 1 89 . 1 1 29 29 ASN CB C 13 38.996 . . 1 . . . . . 29 N CB . 12033 1 90 . 1 1 29 29 ASN N N 15 120.22 . . 1 . . . . . 29 N N . 12033 1 91 . 1 1 30 30 VAL H H 1 8.067 . . 1 . . . . . 30 V HN . 12033 1 92 . 1 1 30 30 VAL C C 13 177.156 . . 1 . . . . . 30 V CO . 12033 1 93 . 1 1 30 30 VAL CA C 13 64.271 . . 1 . . . . . 30 V CA . 12033 1 94 . 1 1 30 30 VAL CB C 13 32.567 . . 1 . . . . . 30 V CB . 12033 1 95 . 1 1 30 30 VAL N N 15 120.968 . . 1 . . . . . 30 V N . 12033 1 96 . 1 1 31 31 LEU H H 1 8.051 . . 1 . . . . . 31 L HN . 12033 1 97 . 1 1 31 31 LEU C C 13 178.636 . . 1 . . . . . 31 L CO . 12033 1 98 . 1 1 31 31 LEU CA C 13 56.463 . . 1 . . . . . 31 L CA . 12033 1 99 . 1 1 31 31 LEU CB C 13 42.125 . . 1 . . . . . 31 L CB . 12033 1 100 . 1 1 31 31 LEU N N 15 123.32 . . 1 . . . . . 31 L N . 12033 1 101 . 1 1 32 32 GLU H H 1 8.098 . . 1 . . . . . 32 E HN . 12033 1 102 . 1 1 32 32 GLU C C 13 177.80 . . 1 . . . . . 32 E CO . 12033 1 103 . 1 1 32 32 GLU CA C 13 57.863 . . 1 . . . . . 32 E CA . 12033 1 104 . 1 1 32 32 GLU CB C 13 30.074 . . 1 . . . . . 32 E CB . 12033 1 105 . 1 1 32 32 GLU N N 15 120.842 . . 1 . . . . . 32 E N . 12033 1 106 . 1 1 33 33 ARG H H 1 8.056 . . 1 . . . . . 33 R HN . 12033 1 107 . 1 1 33 33 ARG C C 13 177.61 . . 1 . . . . . 33 R CO . 12033 1 108 . 1 1 33 33 ARG CA C 13 57.911 . . 1 . . . . . 33 R CA . 12033 1 109 . 1 1 33 33 ARG CB C 13 30.77 . . 1 . . . . . 33 R CB . 12033 1 110 . 1 1 33 33 ARG N N 15 120.652 . . 1 . . . . . 33 R N . 12033 1 111 . 1 1 34 34 GLN H H 1 8.101 . . 1 . . . . . 34 Q HN . 12033 1 112 . 1 1 34 34 GLN C C 13 177.385 . . 1 . . . . . 34 Q CO . 12033 1 113 . 1 1 34 34 GLN CA C 13 57.425 . . 1 . . . . . 34 Q CA . 12033 1 114 . 1 1 34 34 GLN CB C 13 29.105 . . 1 . . . . . 34 Q CB . 12033 1 115 . 1 1 34 34 GLN N N 15 119.848 . . 1 . . . . . 34 Q N . 12033 1 116 . 1 1 35 35 ARG H H 1 8.143 . . 1 . . . . . 35 R HN . 12033 1 117 . 1 1 35 35 ARG C C 13 177.407 . . 1 . . . . . 35 R CO . 12033 1 118 . 1 1 35 35 ARG CA C 13 57.549 . . 1 . . . . . 35 R CA . 12033 1 119 . 1 1 35 35 ARG CB C 13 30.796 . . 1 . . . . . 35 R CB . 12033 1 120 . 1 1 35 35 ARG N N 15 121.222 . . 1 . . . . . 35 R N . 12033 1 121 . 1 1 36 36 ARG H H 1 8.143 . . 1 . . . . . 36 R HN . 12033 1 122 . 1 1 36 36 ARG C C 13 177.538 . . 1 . . . . . 36 R CO . 12033 1 123 . 1 1 36 36 ARG CA C 13 57.812 . . 1 . . . . . 36 R CA . 12033 1 124 . 1 1 36 36 ARG CB C 13 30.788 . . 1 . . . . . 36 R CB . 12033 1 125 . 1 1 36 36 ARG N N 15 121.222 . . 1 . . . . . 36 R N . 12033 1 126 . 1 1 37 37 ASN H H 1 8.237 . . 1 . . . . . 37 N HN . 12033 1 127 . 1 1 37 37 ASN C C 13 176.434 . . 1 . . . . . 37 N CO . 12033 1 128 . 1 1 37 37 ASN CA C 13 54.473 . . 1 . . . . . 37 N CA . 12033 1 129 . 1 1 37 37 ASN CB C 13 38.549 . . 1 . . . . . 37 N CB . 12033 1 130 . 1 1 37 37 ASN N N 15 118.78 . . 1 . . . . . 37 N N . 12033 1 131 . 1 1 38 38 GLU H H 1 8.143 . . 1 . . . . . 38 E HN . 12033 1 132 . 1 1 38 38 GLU C C 13 177.556 . . 1 . . . . . 38 E CO . 12033 1 133 . 1 1 38 38 GLU CA C 13 57.701 . . 1 . . . . . 38 E CA . 12033 1 134 . 1 1 38 38 GLU CB C 13 30.126 . . 1 . . . . . 38 E CB . 12033 1 135 . 1 1 38 38 GLU N N 15 120.73 . . 1 . . . . . 38 E N . 12033 1 136 . 1 1 39 39 LEU H H 1 7.929 . . 1 . . . . . 39 L HN . 12033 1 137 . 1 1 39 39 LEU C C 13 178.29 . . 1 . . . . . 39 L CO . 12033 1 138 . 1 1 39 39 LEU CA C 13 56.216 . . 1 . . . . . 39 L CA . 12033 1 139 . 1 1 39 39 LEU CB C 13 42.383 . . 1 . . . . . 39 L CB . 12033 1 140 . 1 1 39 39 LEU N N 15 121.534 . . 1 . . . . . 39 L N . 12033 1 141 . 1 1 40 40 LYS H H 1 7.929 . . 1 . . . . . 40 K HN . 12033 1 142 . 1 1 40 40 LYS C C 13 177.264 . . 1 . . . . . 40 K CO . 12033 1 143 . 1 1 40 40 LYS CA C 13 57.244 . . 1 . . . . . 40 K CA . 12033 1 144 . 1 1 40 40 LYS CB C 13 32.928 . . 1 . . . . . 40 K CB . 12033 1 145 . 1 1 40 40 LYS N N 15 120.732 . . 1 . . . . . 40 K N . 12033 1 146 . 1 1 41 41 ARG H H 1 8.036 . . 1 . . . . . 41 R HN . 12033 1 147 . 1 1 41 41 ARG C C 13 177.12 . . 1 . . . . . 41 R CO . 12033 1 148 . 1 1 41 41 ARG CA C 13 57.082 . . 1 . . . . . 41 R CA . 12033 1 149 . 1 1 41 41 ARG CB C 13 31.003 . . 1 . . . . . 41 R CB . 12033 1 150 . 1 1 41 41 ARG N N 15 120.821 . . 1 . . . . . 41 R N . 12033 1 151 . 1 1 42 42 SER H H 1 8.094 . . 1 . . . . . 42 S HN . 12033 1 152 . 1 1 42 42 SER C C 13 174.691 . . 1 . . . . . 42 S CO . 12033 1 153 . 1 1 42 42 SER CA C 13 58.964 . . 1 . . . . . 42 S CA . 12033 1 154 . 1 1 42 42 SER CB C 13 63.881 . . 1 . . . . . 42 S CB . 12033 1 155 . 1 1 42 42 SER N N 15 115.983 . . 1 . . . . . 42 S N . 12033 1 156 . 1 1 43 43 PHE H H 1 7.999 . . 1 . . . . . 43 F HN . 12033 1 157 . 1 1 43 43 PHE C C 13 178.062 . . 1 . . . . . 43 F CO . 12033 1 158 . 1 1 43 43 PHE CA C 13 58.918 . . 1 . . . . . 43 F CA . 12033 1 159 . 1 1 43 43 PHE CB C 13 39.796 . . 1 . . . . . 43 F CB . 12033 1 160 . 1 1 43 43 PHE N N 15 121.76 . . 1 . . . . . 43 F N . 12033 1 161 . 1 1 44 44 PHE H H 1 7.911 . . 1 . . . . . 44 F HN . 12033 1 162 . 1 1 44 44 PHE C C 13 175.7 . . 1 . . . . . 44 F CO . 12033 1 163 . 1 1 44 44 PHE CA C 13 58.259 . . 1 . . . . . 44 F CA . 12033 1 164 . 1 1 44 44 PHE CB C 13 39.693 . . 1 . . . . . 44 F CB . 12033 1 165 . 1 1 44 44 PHE N N 15 120.319 . . 1 . . . . . 44 F N . 12033 1 166 . 1 1 45 45 ALA H H 1 7.93 . . 1 . . . . . 45 A HN . 12033 1 167 . 1 1 45 45 ALA C C 13 176.028 . . 1 . . . . . 45 A CO . 12033 1 168 . 1 1 45 45 ALA CA C 13 53.016 . . 1 . . . . . 45 A CA . 12033 1 169 . 1 1 45 45 ALA CB C 13 19.424 . . 1 . . . . . 45 A CB . 12033 1 170 . 1 1 45 45 ALA N N 15 124.238 . . 1 . . . . . 45 A N . 12033 1 171 . 1 1 46 46 LEU H H 1 7.91 . . 1 . . . . . 46 L HN . 12033 1 172 . 1 1 46 46 LEU C C 13 178.111 . . 1 . . . . . 46 L CO . 12033 1 173 . 1 1 46 46 LEU CA C 13 55.801 . . 1 . . . . . 46 L CA . 12033 1 174 . 1 1 46 46 LEU CB C 13 42.323 . . 1 . . . . . 46 L CB . 12033 1 175 . 1 1 46 46 LEU N N 15 120.266 . . 1 . . . . . 46 L N . 12033 1 176 . 1 1 47 47 ARG H H 1 7.999 . . 1 . . . . . 47 R HN . 12033 1 177 . 1 1 47 47 ARG C C 13 176.488 . . 1 . . . . . 47 R CO . 12033 1 178 . 1 1 47 47 ARG CA C 13 56.739 . . 1 . . . . . 47 R CA . 12033 1 179 . 1 1 47 47 ARG CB C 13 30.968 . . 1 . . . . . 47 R CB . 12033 1 180 . 1 1 47 47 ARG N N 15 120.296 . . 1 . . . . . 47 R N . 12033 1 181 . 1 1 48 48 ASP H H 1 8.096 . . 1 . . . . . 48 D HN . 12033 1 182 . 1 1 48 48 ASP C C 13 176.213 . . 1 . . . . . 48 D CO . 12033 1 183 . 1 1 48 48 ASP CA C 13 54.882 . . 1 . . . . . 48 D CA . 12033 1 184 . 1 1 48 48 ASP CB C 13 41.197 . . 1 . . . . . 48 D CB . 12033 1 185 . 1 1 48 48 ASP N N 15 119.607 . . 1 . . . . . 48 D N . 12033 1 186 . 1 1 49 49 GLN H H 1 7.969 . . 1 . . . . . 49 Q HN . 12033 1 187 . 1 1 49 49 GLN C C 13 175.968 . . 1 . . . . . 49 Q CO . 12033 1 188 . 1 1 49 49 GLN CA C 13 55.816 . . 1 . . . . . 49 Q CA . 12033 1 189 . 1 1 49 49 GLN CB C 13 29.816 . . 1 . . . . . 49 Q CB . 12033 1 190 . 1 1 49 49 GLN N N 15 119.221 . . 1 . . . . . 49 Q N . 12033 1 191 . 1 1 50 50 ILE H H 1 8.132 . . 1 . . . . . 50 I HN . 12033 1 192 . 1 1 50 50 ILE C C 13 174.994 . . 1 . . . . . 50 I CO . 12033 1 193 . 1 1 50 50 ILE CA C 13 59.263 . . 1 . . . . . 50 I CA . 12033 1 194 . 1 1 50 50 ILE CB C 13 38.567 . . 1 . . . . . 50 I CB . 12033 1 195 . 1 1 50 50 ILE N N 15 123.91 . . 1 . . . . . 50 I N . 12033 1 196 . 1 1 51 51 PRO C C 13 177.174 . . 1 . . . . . 51 P CO . 12033 1 197 . 1 1 51 51 PRO CA C 13 63.554 . . 1 . . . . . 51 P CA . 12033 1 198 . 1 1 51 51 PRO CB C 13 32.472 . . 1 . . . . . 51 P CB . 12033 1 199 . 1 1 52 52 GLU H H 1 8.384 . . 1 . . . . . 52 E HN . 12033 1 200 . 1 1 52 52 GLU C C 13 176.911 . . 1 . . . . . 52 E CO . 12033 1 201 . 1 1 52 52 GLU CA C 13 56.901 . . 1 . . . . . 52 E CA . 12033 1 202 . 1 1 52 52 GLU CB C 13 30.401 . . 1 . . . . . 52 E CB . 12033 1 203 . 1 1 52 52 GLU N N 15 120.876 . . 1 . . . . . 52 E N . 12033 1 204 . 1 1 53 53 LEU H H 1 8.15 . . 1 . . . . . 53 L HN . 12033 1 205 . 1 1 53 53 LEU C C 13 177.783 . . 1 . . . . . 53 L CO . 12033 1 206 . 1 1 53 53 LEU CA C 13 55.435 . . 1 . . . . . 53 L CA . 12033 1 207 . 1 1 53 53 LEU CB C 13 42.658 . . 1 . . . . . 53 L CB . 12033 1 208 . 1 1 53 53 LEU N N 15 122.731 . . 1 . . . . . 53 L N . 12033 1 209 . 1 1 54 54 GLU H H 1 8.276 . . 1 . . . . . 54 E HN . 12033 1 210 . 1 1 54 54 GLU C C 13 176.47 . . 1 . . . . . 54 E CO . 12033 1 211 . 1 1 54 54 GLU CA C 13 56.835 . . 1 . . . . . 54 E CA . 12033 1 212 . 1 1 54 54 GLU CB C 13 30.538 . . 1 . . . . . 54 E CB . 12033 1 213 . 1 1 54 54 GLU N N 15 121.284 . . 1 . . . . . 54 E N . 12033 1 214 . 1 1 55 55 ASN H H 1 8.366 . . 1 . . . . . 55 N HN . 12033 1 215 . 1 1 55 55 ASN C C 13 175.354 . . 1 . . . . . 55 N CO . 12033 1 216 . 1 1 55 55 ASN CA C 13 53.587 . . 1 . . . . . 55 N CA . 12033 1 217 . 1 1 55 55 ASN CB C 13 39.134 . . 1 . . . . . 55 N CB . 12033 1 218 . 1 1 55 55 ASN N N 15 119.444 . . 1 . . . . . 55 N N . 12033 1 219 . 1 1 56 56 ASN H H 1 8.363 . . 1 . . . . . 56 N HN . 12033 1 220 . 1 1 56 56 ASN C C 13 175.736 . . 1 . . . . . 56 N CO . 12033 1 221 . 1 1 56 56 ASN CA C 13 53.654 . . 1 . . . . . 56 N CA . 12033 1 222 . 1 1 56 56 ASN CB C 13 39.194 . . 1 . . . . . 56 N CB . 12033 1 223 . 1 1 56 56 ASN N N 15 119.31 . . 1 . . . . . 56 N N . 12033 1 224 . 1 1 57 57 GLU H H 1 8.239 . . 1 . . . . . 57 E HN . 12033 1 225 . 1 1 57 57 GLU C C 13 176.828 . . 1 . . . . . 57 E CO . 12033 1 226 . 1 1 57 57 GLU CA C 13 57.234 . . 1 . . . . . 57 E CA . 12033 1 227 . 1 1 57 57 GLU CB C 13 30.281 . . 1 . . . . . 57 E CB . 12033 1 228 . 1 1 57 57 GLU N N 15 120.667 . . 1 . . . . . 57 E N . 12033 1 229 . 1 1 58 58 LYS H H 1 8.1 . . 1 . . . . . 58 K HN . 12033 1 230 . 1 1 58 58 LYS C C 13 176.386 . . 1 . . . . . 58 K CO . 12033 1 231 . 1 1 58 58 LYS CA C 13 56.235 . . 1 . . . . . 58 K CA . 12033 1 232 . 1 1 58 58 LYS CB C 13 33.117 . . 1 . . . . . 58 K CB . 12033 1 233 . 1 1 58 58 LYS N N 15 121.096 . . 1 . . . . . 58 K N . 12033 1 234 . 1 1 59 59 ALA H H 1 8.027 . . 1 . . . . . 59 A HN . 12033 1 235 . 1 1 59 59 ALA C C 13 175.595 . . 1 . . . . . 59 A CO . 12033 1 236 . 1 1 59 59 ALA CA C 13 50.807 . . 1 . . . . . 59 A CA . 12033 1 237 . 1 1 59 59 ALA CB C 13 18.333 . . 1 . . . . . 59 A CB . 12033 1 238 . 1 1 59 59 ALA N N 15 125.658 . . 1 . . . . . 59 A N . 12033 1 239 . 1 1 60 60 PRO C C 13 177.126 . . 1 . . . . . 60 P CO . 12033 1 240 . 1 1 60 60 PRO CA C 13 63.09 . . 1 . . . . . 60 P CA . 12033 1 241 . 1 1 60 60 PRO CB C 13 32.438 . . 1 . . . . . 60 P CB . 12033 1 242 . 1 1 61 61 LYS H H 1 8.308 . . 1 . . . . . 61 K HN . 12033 1 243 . 1 1 61 61 LYS C C 13 176.965 . . 1 . . . . . 61 K CO . 12033 1 244 . 1 1 61 61 LYS CA C 13 56.625 . . 1 . . . . . 61 K CA . 12033 1 245 . 1 1 61 61 LYS CB C 13 33.272 . . 1 . . . . . 61 K CB . 12033 1 246 . 1 1 61 61 LYS N N 15 121.742 . . 1 . . . . . 61 K N . 12033 1 247 . 1 1 62 62 VAL H H 1 8.098 . . 1 . . . . . 62 V HN . 12033 1 248 . 1 1 62 62 VAL C C 13 176.148 . . 1 . . . . . 62 V CO . 12033 1 249 . 1 1 62 62 VAL CA C 13 62.681 . . 1 . . . . . 62 V CA . 12033 1 250 . 1 1 62 62 VAL CB C 13 32.997 . . 1 . . . . . 62 V CB . 12033 1 251 . 1 1 62 62 VAL N N 15 122.705 . . 1 . . . . . 62 V N . 12033 1 252 . 1 1 63 63 VAL H H 1 8.244 . . 1 . . . . . 63 V HN . 12033 1 253 . 1 1 63 63 VAL C C 13 176.07 . . 1 . . . . . 63 V CO . 12033 1 254 . 1 1 63 63 VAL CA C 13 62.591 . . 1 . . . . . 63 V CA . 12033 1 255 . 1 1 63 63 VAL CB C 13 33.095 . . 1 . . . . . 63 V CB . 12033 1 256 . 1 1 63 63 VAL N N 15 126.267 . . 1 . . . . . 63 V N . 12033 1 257 . 1 1 64 64 ILE H H 1 8.262 . . 1 . . . . . 64 I HN . 12033 1 258 . 1 1 64 64 ILE C C 13 176.333 . . 1 . . . . . 64 I CO . 12033 1 259 . 1 1 64 64 ILE CA C 13 60.939 . . 1 . . . . . 64 I CA . 12033 1 260 . 1 1 64 64 ILE CB C 13 38.524 . . 1 . . . . . 64 I CB . 12033 1 261 . 1 1 64 64 ILE N N 15 126.851 . . 1 . . . . . 64 I N . 12033 1 262 . 1 1 65 65 LEU H H 1 8.292 . . 1 . . . . . 65 L HN . 12033 1 263 . 1 1 65 65 LEU C C 13 177.341 . . 1 . . . . . 65 L CO . 12033 1 264 . 1 1 65 65 LEU CA C 13 55.168 . . 1 . . . . . 65 L CA . 12033 1 265 . 1 1 65 65 LEU CB C 13 42.624 . . 1 . . . . . 65 L CB . 12033 1 266 . 1 1 65 65 LEU N N 15 127.75 . . 1 . . . . . 65 L N . 12033 1 267 . 1 1 66 66 LYS H H 1 8.219 . . 1 . . . . . 66 K HN . 12033 1 268 . 1 1 66 66 LYS CA C 13 56.616 . . 1 . . . . . 66 K CA . 12033 1 269 . 1 1 66 66 LYS CB C 13 33.409 . . 1 . . . . . 66 K CB . 12033 1 270 . 1 1 66 66 LYS N N 15 123.047 . . 1 . . . . . 66 K N . 12033 1 271 . 1 1 103 103 LEU C C 13 174.626 . . 1 . . . . . 103 L CO . 12033 1 272 . 1 1 103 103 LEU CA C 13 55.354 . . 1 . . . . . 103 L CA . 12033 1 273 . 1 1 103 103 LEU CB C 13 42.615 . . 1 . . . . . 103 L CB . 12033 1 274 . 1 1 104 104 ARG H H 1 8.273 . . 1 . . . . . 104 R HN . 12033 1 275 . 1 1 104 104 ARG CA C 13 56.815 . . 1 . . . . . 104 R CA . 12033 1 276 . 1 1 104 104 ARG N N 15 121.308 . . 1 . . . . . 104 R N . 12033 1 277 . 1 1 105 105 ASN C C 13 174.626 . . 1 . . . . . 105 N CO . 12033 1 278 . 1 1 105 105 ASN CA C 13 53.514 . . 1 . . . . . 105 N CA . 12033 1 279 . 1 1 105 105 ASN CB C 13 39.383 . . 1 . . . . . 105 N CB . 12033 1 280 . 1 1 106 106 SER H H 1 7.675 . . 1 . . . . . 106 S HN . 12033 1 281 . 1 1 106 106 SER CA C 13 60.491 . . 1 . . . . . 106 S CA . 12033 1 282 . 1 1 106 106 SER CB C 13 65.144 . . 1 . . . . . 106 S CB . 12033 1 283 . 1 1 106 106 SER N N 15 120.82 . . 1 . . . . . 106 S N . 12033 1 stop_ save_