################################### # 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 52718 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name backbone _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 9 '3D HNCO' . . . 52718 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 . . 52718 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 3 3 ASP HA H 1 4.647 . . . . . . . . 103 ASP HA . 52718 1 2 . 1 . 1 3 3 ASP C C 13 175.666 . . . . . . . . 103 ASP C . 52718 1 3 . 1 . 1 3 3 ASP CA C 13 54.703 . . . . . . . . 103 ASP CA . 52718 1 4 . 1 . 1 4 4 ILE H H 1 8.291 . . . . . . . . 104 ILE HN . 52718 1 5 . 1 . 1 4 4 ILE HA H 1 4.146 . . . . . . . . 104 ILE HA . 52718 1 6 . 1 . 1 4 4 ILE C C 13 176.012 . . . . . . . . 104 ILE C . 52718 1 7 . 1 . 1 4 4 ILE CA C 13 61.149 . . . . . . . . 104 ILE CA . 52718 1 8 . 1 . 1 4 4 ILE CB C 13 38.568 . . . . . . . . 104 ILE CB . 52718 1 9 . 1 . 1 4 4 ILE N N 15 121.469 . . . . . . . . 104 ILE N . 52718 1 10 . 1 . 1 5 5 VAL H H 1 8.166 . . . . . . . . 105 VAL HN . 52718 1 11 . 1 . 1 5 5 VAL HA H 1 4.085 . . . . . . . . 105 VAL HA . 52718 1 12 . 1 . 1 5 5 VAL C C 13 175.397 . . . . . . . . 105 VAL C . 52718 1 13 . 1 . 1 5 5 VAL CA C 13 61.893 . . . . . . . . 105 VAL CA . 52718 1 14 . 1 . 1 5 5 VAL CB C 13 32.665 . . . . . . . . 105 VAL CB . 52718 1 15 . 1 . 1 5 5 VAL N N 15 124.546 . . . . . . . . 105 VAL N . 52718 1 16 . 1 . 1 6 6 ASP H H 1 8.442 . . . . . . . . 106 ASP HN . 52718 1 17 . 1 . 1 6 6 ASP CA C 13 52.215 . . . . . . . . 106 ASP CA . 52718 1 18 . 1 . 1 6 6 ASP CB C 13 41.542 . . . . . . . . 106 ASP CB . 52718 1 19 . 1 . 1 6 6 ASP N N 15 126.199 . . . . . . . . 106 ASP N . 52718 1 20 . 1 . 1 7 7 PRO HA H 1 4.390 . . . . . . . . 107 PRO HA . 52718 1 21 . 1 . 1 7 7 PRO C C 13 176.699 . . . . . . . . 107 PRO C . 52718 1 22 . 1 . 1 7 7 PRO CA C 13 63.788 . . . . . . . . 107 PRO CA . 52718 1 23 . 1 . 1 7 7 PRO CB C 13 32.041 . . . . . . . . 107 PRO CB . 52718 1 24 . 1 . 1 8 8 ALA H H 1 8.390 . . . . . . . . 108 ALA HN . 52718 1 25 . 1 . 1 8 8 ALA HA H 1 4.301 . . . . . . . . 108 ALA HA . 52718 1 26 . 1 . 1 8 8 ALA C C 13 177.535 . . . . . . . . 108 ALA C . 52718 1 27 . 1 . 1 8 8 ALA CA C 13 52.362 . . . . . . . . 108 ALA CA . 52718 1 28 . 1 . 1 8 8 ALA CB C 13 18.929 . . . . . . . . 108 ALA CB . 52718 1 29 . 1 . 1 8 8 ALA N N 15 122.065 . . . . . . . . 108 ALA N . 52718 1 30 . 1 . 1 9 9 THR H H 1 7.737 . . . . . . . . 109 THR HN . 52718 1 31 . 1 . 1 9 9 THR CA C 13 60.620 . . . . . . . . 109 THR CA . 52718 1 32 . 1 . 1 9 9 THR CB C 13 70.267 . . . . . . . . 109 THR CB . 52718 1 33 . 1 . 1 9 9 THR N N 15 116.825 . . . . . . . . 109 THR N . 52718 1 34 . 1 . 1 10 10 PRO HA H 1 4.413 . . . . . . . . 110 PRO HA . 52718 1 35 . 1 . 1 10 10 PRO C C 13 173.547 . . . . . . . . 110 PRO C . 52718 1 36 . 1 . 1 10 10 PRO CA C 13 62.135 . . . . . . . . 110 PRO CA . 52718 1 37 . 1 . 1 10 10 PRO CB C 13 31.068 . . . . . . . . 110 PRO CB . 52718 1 38 . 1 . 1 11 11 TYR H H 1 9.077 . . . . . . . . 111 TYR HN . 52718 1 39 . 1 . 1 11 11 TYR CA C 13 55.643 . . . . . . . . 111 TYR CA . 52718 1 40 . 1 . 1 11 11 TYR CB C 13 38.925 . . . . . . . . 111 TYR CB . 52718 1 41 . 1 . 1 11 11 TYR N N 15 122.969 . . . . . . . . 111 TYR N . 52718 1 42 . 1 . 1 12 12 PRO HA H 1 4.115 . . . . . . . . 112 PRO HA . 52718 1 43 . 1 . 1 12 12 PRO C C 13 177.536 . . . . . . . . 112 PRO C . 52718 1 44 . 1 . 1 12 12 PRO CA C 13 64.695 . . . . . . . . 112 PRO CA . 52718 1 45 . 1 . 1 12 12 PRO CB C 13 31.191 . . . . . . . . 112 PRO CB . 52718 1 46 . 1 . 1 13 13 GLY H H 1 9.230 . . . . . . . . 113 GLY HN . 52718 1 47 . 1 . 1 13 13 GLY C C 13 174.721 . . . . . . . . 113 GLY C . 52718 1 48 . 1 . 1 13 13 GLY CA C 13 45.038 . . . . . . . . 113 GLY CA . 52718 1 49 . 1 . 1 13 13 GLY N N 15 114.154 . . . . . . . . 113 GLY N . 52718 1 50 . 1 . 1 14 14 ASP H H 1 8.753 . . . . . . . . 114 ASP HN . 52718 1 51 . 1 . 1 14 14 ASP HA H 1 4.683 . . . . . . . . 114 ASP HA . 52718 1 52 . 1 . 1 14 14 ASP C C 13 175.952 . . . . . . . . 114 ASP C . 52718 1 53 . 1 . 1 14 14 ASP CA C 13 55.477 . . . . . . . . 114 ASP CA . 52718 1 54 . 1 . 1 14 14 ASP CB C 13 41.587 . . . . . . . . 114 ASP CB . 52718 1 55 . 1 . 1 14 14 ASP N N 15 122.234 . . . . . . . . 114 ASP N . 52718 1 56 . 1 . 1 15 15 LYS H H 1 8.461 . . . . . . . . 115 LYS HN . 52718 1 57 . 1 . 1 15 15 LYS HA H 1 4.977 . . . . . . . . 115 LYS HA . 52718 1 58 . 1 . 1 15 15 LYS C C 13 177.140 . . . . . . . . 115 LYS C . 52718 1 59 . 1 . 1 15 15 LYS CA C 13 56.398 . . . . . . . . 115 LYS CA . 52718 1 60 . 1 . 1 15 15 LYS CB C 13 33.201 . . . . . . . . 115 LYS CB . 52718 1 61 . 1 . 1 15 15 LYS N N 15 120.452 . . . . . . . . 115 LYS N . 52718 1 62 . 1 . 1 16 16 VAL H H 1 9.150 . . . . . . . . 116 VAL HN . 52718 1 63 . 1 . 1 16 16 VAL HA H 1 5.220 . . . . . . . . 116 VAL HA . 52718 1 64 . 1 . 1 16 16 VAL C C 13 172.996 . . . . . . . . 116 VAL C . 52718 1 65 . 1 . 1 16 16 VAL CA C 13 58.376 . . . . . . . . 116 VAL CA . 52718 1 66 . 1 . 1 16 16 VAL CB C 13 35.621 . . . . . . . . 116 VAL CB . 52718 1 67 . 1 . 1 16 16 VAL N N 15 116.366 . . . . . . . . 116 VAL N . 52718 1 68 . 1 . 1 17 17 ILE H H 1 9.180 . . . . . . . . 117 ILE HN . 52718 1 69 . 1 . 1 17 17 ILE HA H 1 5.105 . . . . . . . . 117 ILE HA . 52718 1 70 . 1 . 1 17 17 ILE C C 13 173.981 . . . . . . . . 117 ILE C . 52718 1 71 . 1 . 1 17 17 ILE CA C 13 57.856 . . . . . . . . 117 ILE CA . 52718 1 72 . 1 . 1 17 17 ILE CB C 13 42.100 . . . . . . . . 117 ILE CB . 52718 1 73 . 1 . 1 17 17 ILE N N 15 118.570 . . . . . . . . 117 ILE N . 52718 1 74 . 1 . 1 18 18 ILE H H 1 8.433 . . . . . . . . 118 ILE HN . 52718 1 75 . 1 . 1 18 18 ILE HA H 1 4.585 . . . . . . . . 118 ILE HA . 52718 1 76 . 1 . 1 18 18 ILE C C 13 178.534 . . . . . . . . 118 ILE C . 52718 1 77 . 1 . 1 18 18 ILE CA C 13 62.135 . . . . . . . . 118 ILE CA . 52718 1 78 . 1 . 1 18 18 ILE CB C 13 36.825 . . . . . . . . 118 ILE CB . 52718 1 79 . 1 . 1 18 18 ILE N N 15 127.937 . . . . . . . . 118 ILE N . 52718 1 80 . 1 . 1 19 19 THR H H 1 9.279 . . . . . . . . 119 THR HN . 52718 1 81 . 1 . 1 19 19 THR HA H 1 4.474 . . . . . . . . 119 THR HA . 52718 1 82 . 1 . 1 19 19 THR C C 13 174.207 . . . . . . . . 119 THR C . 52718 1 83 . 1 . 1 19 19 THR CA C 13 62.600 . . . . . . . . 119 THR CA . 52718 1 84 . 1 . 1 19 19 THR CB C 13 69.284 . . . . . . . . 119 THR CB . 52718 1 85 . 1 . 1 19 19 THR N N 15 120.167 . . . . . . . . 119 THR N . 52718 1 86 . 1 . 1 20 20 GLU H H 1 7.524 . . . . . . . . 120 GLU HN . 52718 1 87 . 1 . 1 20 20 GLU HA H 1 4.722 . . . . . . . . 120 GLU HA . 52718 1 88 . 1 . 1 20 20 GLU C C 13 174.593 . . . . . . . . 120 GLU C . 52718 1 89 . 1 . 1 20 20 GLU CA C 13 55.462 . . . . . . . . 120 GLU CA . 52718 1 90 . 1 . 1 20 20 GLU CB C 13 34.264 . . . . . . . . 120 GLU CB . 52718 1 91 . 1 . 1 20 20 GLU N N 15 119.078 . . . . . . . . 120 GLU N . 52718 1 92 . 1 . 1 21 21 GLY H H 1 8.679 . . . . . . . . 121 GLY HN . 52718 1 93 . 1 . 1 21 21 GLY C C 13 175.720 . . . . . . . . 121 GLY C . 52718 1 94 . 1 . 1 21 21 GLY CA C 13 44.749 . . . . . . . . 121 GLY CA . 52718 1 95 . 1 . 1 21 21 GLY N N 15 107.146 . . . . . . . . 121 GLY N . 52718 1 96 . 1 . 1 22 22 ALA H H 1 8.703 . . . . . . . . 122 ALA HN . 52718 1 97 . 1 . 1 22 22 ALA HA H 1 3.843 . . . . . . . . 122 ALA HA . 52718 1 98 . 1 . 1 22 22 ALA C C 13 179.105 . . . . . . . . 122 ALA C . 52718 1 99 . 1 . 1 22 22 ALA CA C 13 54.729 . . . . . . . . 122 ALA CA . 52718 1 100 . 1 . 1 22 22 ALA CB C 13 18.008 . . . . . . . . 122 ALA CB . 52718 1 101 . 1 . 1 22 22 ALA N N 15 123.880 . . . . . . . . 122 ALA N . 52718 1 102 . 1 . 1 23 23 PHE H H 1 8.984 . . . . . . . . 123 PHE HN . 52718 1 103 . 1 . 1 23 23 PHE HA H 1 4.440 . . . . . . . . 123 PHE HA . 52718 1 104 . 1 . 1 23 23 PHE C C 13 173.846 . . . . . . . . 123 PHE C . 52718 1 105 . 1 . 1 23 23 PHE CA C 13 56.377 . . . . . . . . 123 PHE CA . 52718 1 106 . 1 . 1 23 23 PHE CB C 13 37.731 . . . . . . . . 123 PHE CB . 52718 1 107 . 1 . 1 23 23 PHE N N 15 114.118 . . . . . . . . 123 PHE N . 52718 1 108 . 1 . 1 24 24 GLU H H 1 7.202 . . . . . . . . 124 GLU HN . 52718 1 109 . 1 . 1 24 24 GLU HA H 1 3.423 . . . . . . . . 124 GLU HA . 52718 1 110 . 1 . 1 24 24 GLU C C 13 177.377 . . . . . . . . 124 GLU C . 52718 1 111 . 1 . 1 24 24 GLU CA C 13 58.854 . . . . . . . . 124 GLU CA . 52718 1 112 . 1 . 1 24 24 GLU CB C 13 28.861 . . . . . . . . 124 GLU CB . 52718 1 113 . 1 . 1 24 24 GLU N N 15 119.575 . . . . . . . . 124 GLU N . 52718 1 114 . 1 . 1 25 25 GLY H H 1 8.940 . . . . . . . . 125 GLY HN . 52718 1 115 . 1 . 1 25 25 GLY C C 13 174.415 . . . . . . . . 125 GLY C . 52718 1 116 . 1 . 1 25 25 GLY CA C 13 45.120 . . . . . . . . 125 GLY CA . 52718 1 117 . 1 . 1 25 25 GLY N N 15 113.986 . . . . . . . . 125 GLY N . 52718 1 118 . 1 . 1 26 26 PHE H H 1 8.503 . . . . . . . . 126 PHE HN . 52718 1 119 . 1 . 1 26 26 PHE HA H 1 4.584 . . . . . . . . 126 PHE HA . 52718 1 120 . 1 . 1 26 26 PHE C C 13 175.381 . . . . . . . . 126 PHE C . 52718 1 121 . 1 . 1 26 26 PHE CA C 13 58.691 . . . . . . . . 126 PHE CA . 52718 1 122 . 1 . 1 26 26 PHE CB C 13 45.376 . . . . . . . . 126 PHE CB . 52718 1 123 . 1 . 1 26 26 PHE N N 15 120.686 . . . . . . . . 126 PHE N . 52718 1 124 . 1 . 1 27 27 GLN H H 1 8.669 . . . . . . . . 127 GLN HN . 52718 1 125 . 1 . 1 27 27 GLN HA H 1 5.161 . . . . . . . . 127 GLN HA . 52718 1 126 . 1 . 1 27 27 GLN C C 13 175.006 . . . . . . . . 127 GLN C . 52718 1 127 . 1 . 1 27 27 GLN CA C 13 55.038 . . . . . . . . 127 GLN CA . 52718 1 128 . 1 . 1 27 27 GLN CB C 13 30.085 . . . . . . . . 127 GLN CB . 52718 1 129 . 1 . 1 27 27 GLN N N 15 119.594 . . . . . . . . 127 GLN N . 52718 1 130 . 1 . 1 28 28 ALA H H 1 8.946 . . . . . . . . 128 ALA HN . 52718 1 131 . 1 . 1 28 28 ALA HA H 1 5.000 . . . . . . . . 128 ALA HA . 52718 1 132 . 1 . 1 28 28 ALA C C 13 175.229 . . . . . . . . 128 ALA C . 52718 1 133 . 1 . 1 28 28 ALA CA C 13 50.597 . . . . . . . . 128 ALA CA . 52718 1 134 . 1 . 1 28 28 ALA CB C 13 24.661 . . . . . . . . 128 ALA CB . 52718 1 135 . 1 . 1 28 28 ALA N N 15 122.948 . . . . . . . . 128 ALA N . 52718 1 136 . 1 . 1 29 29 ILE H H 1 8.332 . . . . . . . . 129 ILE HN . 52718 1 137 . 1 . 1 29 29 ILE HA H 1 4.868 . . . . . . . . 129 ILE HA . 52718 1 138 . 1 . 1 29 29 ILE C C 13 176.792 . . . . . . . . 129 ILE C . 52718 1 139 . 1 . 1 29 29 ILE CA C 13 58.882 . . . . . . . . 129 ILE CA . 52718 1 140 . 1 . 1 29 29 ILE CB C 13 40.334 . . . . . . . . 129 ILE CB . 52718 1 141 . 1 . 1 29 29 ILE N N 15 118.419 . . . . . . . . 129 ILE N . 52718 1 142 . 1 . 1 30 30 PHE H H 1 9.080 . . . . . . . . 130 PHE HN . 52718 1 143 . 1 . 1 30 30 PHE HA H 1 4.289 . . . . . . . . 130 PHE HA . 52718 1 144 . 1 . 1 30 30 PHE C C 13 174.266 . . . . . . . . 130 PHE C . 52718 1 145 . 1 . 1 30 30 PHE CA C 13 58.607 . . . . . . . . 130 PHE CA . 52718 1 146 . 1 . 1 30 30 PHE CB C 13 38.985 . . . . . . . . 130 PHE CB . 52718 1 147 . 1 . 1 30 30 PHE N N 15 127.188 . . . . . . . . 130 PHE N . 52718 1 148 . 1 . 1 31 31 THR H H 1 7.825 . . . . . . . . 131 THR HN . 52718 1 149 . 1 . 1 31 31 THR HA H 1 4.481 . . . . . . . . 131 THR HA . 52718 1 150 . 1 . 1 31 31 THR C C 13 172.819 . . . . . . . . 131 THR C . 52718 1 151 . 1 . 1 31 31 THR CA C 13 63.168 . . . . . . . . 131 THR CA . 52718 1 152 . 1 . 1 31 31 THR CB C 13 69.416 . . . . . . . . 131 THR CB . 52718 1 153 . 1 . 1 31 31 THR N N 15 120.491 . . . . . . . . 131 THR N . 52718 1 154 . 1 . 1 32 32 GLU H H 1 6.719 . . . . . . . . 132 GLU HN . 52718 1 155 . 1 . 1 32 32 GLU CA C 13 54.744 . . . . . . . . 132 GLU CA . 52718 1 156 . 1 . 1 32 32 GLU CB C 13 29.142 . . . . . . . . 132 GLU CB . 52718 1 157 . 1 . 1 32 32 GLU N N 15 116.004 . . . . . . . . 132 GLU N . 52718 1 158 . 1 . 1 33 33 PRO HA H 1 4.747 . . . . . . . . 133 PRO HA . 52718 1 159 . 1 . 1 33 33 PRO C C 13 174.540 . . . . . . . . 133 PRO C . 52718 1 160 . 1 . 1 33 33 PRO CA C 13 63.596 . . . . . . . . 133 PRO CA . 52718 1 161 . 1 . 1 33 33 PRO CB C 13 32.353 . . . . . . . . 133 PRO CB . 52718 1 162 . 1 . 1 34 34 ASP H H 1 8.631 . . . . . . . . 134 ASP HN . 52718 1 163 . 1 . 1 34 34 ASP HA H 1 4.871 . . . . . . . . 134 ASP HA . 52718 1 164 . 1 . 1 34 34 ASP C C 13 175.048 . . . . . . . . 134 ASP C . 52718 1 165 . 1 . 1 34 34 ASP CA C 13 52.371 . . . . . . . . 134 ASP CA . 52718 1 166 . 1 . 1 34 34 ASP CB C 13 41.335 . . . . . . . . 134 ASP CB . 52718 1 167 . 1 . 1 34 34 ASP N N 15 123.704 . . . . . . . . 134 ASP N . 52718 1 168 . 1 . 1 35 35 GLY H H 1 8.074 . . . . . . . . 135 GLY HN . 52718 1 169 . 1 . 1 35 35 GLY C C 13 173.841 . . . . . . . . 135 GLY C . 52718 1 170 . 1 . 1 35 35 GLY CA C 13 44.801 . . . . . . . . 135 GLY CA . 52718 1 171 . 1 . 1 35 35 GLY N N 15 108.611 . . . . . . . . 135 GLY N . 52718 1 172 . 1 . 1 36 36 GLU H H 1 8.453 . . . . . . . . 136 GLU HN . 52718 1 173 . 1 . 1 36 36 GLU HA H 1 4.186 . . . . . . . . 136 GLU HA . 52718 1 174 . 1 . 1 36 36 GLU C C 13 177.472 . . . . . . . . 136 GLU C . 52718 1 175 . 1 . 1 36 36 GLU CA C 13 58.083 . . . . . . . . 136 GLU CA . 52718 1 176 . 1 . 1 36 36 GLU CB C 13 30.073 . . . . . . . . 136 GLU CB . 52718 1 177 . 1 . 1 36 36 GLU N N 15 117.608 . . . . . . . . 136 GLU N . 52718 1 178 . 1 . 1 37 37 ALA H H 1 8.705 . . . . . . . . 137 ALA HN . 52718 1 179 . 1 . 1 37 37 ALA HA H 1 4.654 . . . . . . . . 137 ALA HA . 52718 1 180 . 1 . 1 37 37 ALA C C 13 177.221 . . . . . . . . 137 ALA C . 52718 1 181 . 1 . 1 37 37 ALA CA C 13 52.123 . . . . . . . . 137 ALA CA . 52718 1 182 . 1 . 1 37 37 ALA CB C 13 21.005 . . . . . . . . 137 ALA CB . 52718 1 183 . 1 . 1 37 37 ALA N N 15 119.163 . . . . . . . . 137 ALA N . 52718 1 184 . 1 . 1 38 38 ARG H H 1 7.030 . . . . . . . . 138 ARG HN . 52718 1 185 . 1 . 1 38 38 ARG HA H 1 5.081 . . . . . . . . 138 ARG HA . 52718 1 186 . 1 . 1 38 38 ARG C C 13 175.901 . . . . . . . . 138 ARG C . 52718 1 187 . 1 . 1 38 38 ARG CA C 13 55.138 . . . . . . . . 138 ARG CA . 52718 1 188 . 1 . 1 38 38 ARG CB C 13 34.520 . . . . . . . . 138 ARG CB . 52718 1 189 . 1 . 1 38 38 ARG N N 15 117.580 . . . . . . . . 138 ARG N . 52718 1 190 . 1 . 1 39 39 SER H H 1 9.371 . . . . . . . . 139 SER HN . 52718 1 191 . 1 . 1 39 39 SER HA H 1 4.849 . . . . . . . . 139 SER HA . 52718 1 192 . 1 . 1 39 39 SER C C 13 170.870 . . . . . . . . 139 SER C . 52718 1 193 . 1 . 1 39 39 SER CA C 13 59.204 . . . . . . . . 139 SER CA . 52718 1 194 . 1 . 1 39 39 SER CB C 13 67.870 . . . . . . . . 139 SER CB . 52718 1 195 . 1 . 1 39 39 SER N N 15 115.504 . . . . . . . . 139 SER N . 52718 1 196 . 1 . 1 40 40 MET H H 1 9.120 . . . . . . . . 140 MET HN . 52718 1 197 . 1 . 1 40 40 MET HA H 1 4.835 . . . . . . . . 140 MET HA . 52718 1 198 . 1 . 1 40 40 MET C C 13 174.514 . . . . . . . . 140 MET C . 52718 1 199 . 1 . 1 40 40 MET CA C 13 53.510 . . . . . . . . 140 MET CA . 52718 1 200 . 1 . 1 40 40 MET CB C 13 30.344 . . . . . . . . 140 MET CB . 52718 1 201 . 1 . 1 40 40 MET N N 15 120.408 . . . . . . . . 140 MET N . 52718 1 202 . 1 . 1 41 41 LEU H H 1 8.885 . . . . . . . . 141 LEU HN . 52718 1 203 . 1 . 1 41 41 LEU HA H 1 4.974 . . . . . . . . 141 LEU HA . 52718 1 204 . 1 . 1 41 41 LEU C C 13 175.114 . . . . . . . . 141 LEU C . 52718 1 205 . 1 . 1 41 41 LEU CA C 13 52.362 . . . . . . . . 141 LEU CA . 52718 1 206 . 1 . 1 41 41 LEU CB C 13 43.745 . . . . . . . . 141 LEU CB . 52718 1 207 . 1 . 1 41 41 LEU N N 15 126.871 . . . . . . . . 141 LEU N . 52718 1 208 . 1 . 1 42 42 LEU H H 1 9.133 . . . . . . . . 142 LEU HN . 52718 1 209 . 1 . 1 42 42 LEU HA H 1 4.877 . . . . . . . . 142 LEU HA . 52718 1 210 . 1 . 1 42 42 LEU C C 13 176.312 . . . . . . . . 142 LEU C . 52718 1 211 . 1 . 1 42 42 LEU CA C 13 53.711 . . . . . . . . 142 LEU CA . 52718 1 212 . 1 . 1 42 42 LEU CB C 13 43.286 . . . . . . . . 142 LEU CB . 52718 1 213 . 1 . 1 42 42 LEU N N 15 122.374 . . . . . . . . 142 LEU N . 52718 1 214 . 1 . 1 43 43 LEU H H 1 9.230 . . . . . . . . 143 LEU HN . 52718 1 215 . 1 . 1 43 43 LEU HA H 1 4.489 . . . . . . . . 143 LEU HA . 52718 1 216 . 1 . 1 43 43 LEU C C 13 174.708 . . . . . . . . 143 LEU C . 52718 1 217 . 1 . 1 43 43 LEU CA C 13 55.087 . . . . . . . . 143 LEU CA . 52718 1 218 . 1 . 1 43 43 LEU CB C 13 43.867 . . . . . . . . 143 LEU CB . 52718 1 219 . 1 . 1 43 43 LEU N N 15 128.879 . . . . . . . . 143 LEU N . 52718 1 220 . 1 . 1 44 44 ASN H H 1 8.729 . . . . . . . . 144 ASN HN . 52718 1 221 . 1 . 1 44 44 ASN HA H 1 4.975 . . . . . . . . 144 ASN HA . 52718 1 222 . 1 . 1 44 44 ASN C C 13 174.327 . . . . . . . . 144 ASN C . 52718 1 223 . 1 . 1 44 44 ASN CA C 13 53.021 . . . . . . . . 144 ASN CA . 52718 1 224 . 1 . 1 44 44 ASN CB C 13 38.971 . . . . . . . . 144 ASN CB . 52718 1 225 . 1 . 1 44 44 ASN N N 15 120.724 . . . . . . . . 144 ASN N . 52718 1 226 . 1 . 1 45 45 LEU H H 1 8.341 . . . . . . . . 145 LEU HN . 52718 1 227 . 1 . 1 45 45 LEU HA H 1 4.635 . . . . . . . . 145 LEU HA . 52718 1 228 . 1 . 1 45 45 LEU C C 13 176.888 . . . . . . . . 145 LEU C . 52718 1 229 . 1 . 1 45 45 LEU CA C 13 53.796 . . . . . . . . 145 LEU CA . 52718 1 230 . 1 . 1 45 45 LEU CB C 13 41.477 . . . . . . . . 145 LEU CB . 52718 1 231 . 1 . 1 45 45 LEU N N 15 125.432 . . . . . . . . 145 LEU N . 52718 1 232 . 1 . 1 46 46 ILE H H 1 8.593 . . . . . . . . 146 ILE HN . 52718 1 233 . 1 . 1 46 46 ILE HA H 1 3.603 . . . . . . . . 146 ILE HA . 52718 1 234 . 1 . 1 46 46 ILE C C 13 176.256 . . . . . . . . 146 ILE C . 52718 1 235 . 1 . 1 46 46 ILE CA C 13 64.582 . . . . . . . . 146 ILE CA . 52718 1 236 . 1 . 1 46 46 ILE CB C 13 35.309 . . . . . . . . 146 ILE CB . 52718 1 237 . 1 . 1 46 46 ILE N N 15 119.237 . . . . . . . . 146 ILE N . 52718 1 238 . 1 . 1 47 47 ASN H H 1 8.567 . . . . . . . . 147 ASN HN . 52718 1 239 . 1 . 1 47 47 ASN HA H 1 4.587 . . . . . . . . 147 ASN HA . 52718 1 240 . 1 . 1 47 47 ASN C C 13 174.220 . . . . . . . . 147 ASN C . 52718 1 241 . 1 . 1 47 47 ASN CA C 13 53.816 . . . . . . . . 147 ASN CA . 52718 1 242 . 1 . 1 47 47 ASN CB C 13 38.450 . . . . . . . . 147 ASN CB . 52718 1 243 . 1 . 1 47 47 ASN N N 15 116.516 . . . . . . . . 147 ASN N . 52718 1 244 . 1 . 1 48 48 LYS H H 1 7.470 . . . . . . . . 148 LYS HN . 52718 1 245 . 1 . 1 48 48 LYS HA H 1 4.484 . . . . . . . . 148 LYS HA . 52718 1 246 . 1 . 1 48 48 LYS C C 13 173.768 . . . . . . . . 148 LYS C . 52718 1 247 . 1 . 1 48 48 LYS CA C 13 55.533 . . . . . . . . 148 LYS CA . 52718 1 248 . 1 . 1 48 48 LYS CB C 13 34.355 . . . . . . . . 148 LYS CB . 52718 1 249 . 1 . 1 48 48 LYS N N 15 117.526 . . . . . . . . 148 LYS N . 52718 1 250 . 1 . 1 49 49 GLU H H 1 8.351 . . . . . . . . 149 GLU HN . 52718 1 251 . 1 . 1 49 49 GLU HA H 1 5.049 . . . . . . . . 149 GLU HA . 52718 1 252 . 1 . 1 49 49 GLU C C 13 176.014 . . . . . . . . 149 GLU C . 52718 1 253 . 1 . 1 49 49 GLU CA C 13 55.366 . . . . . . . . 149 GLU CA . 52718 1 254 . 1 . 1 49 49 GLU CB C 13 31.259 . . . . . . . . 149 GLU CB . 52718 1 255 . 1 . 1 49 49 GLU N N 15 121.754 . . . . . . . . 149 GLU N . 52718 1 256 . 1 . 1 50 50 ILE H H 1 8.593 . . . . . . . . 150 ILE HN . 52718 1 257 . 1 . 1 50 50 ILE HA H 1 4.476 . . . . . . . . 150 ILE HA . 52718 1 258 . 1 . 1 50 50 ILE C C 13 173.704 . . . . . . . . 150 ILE C . 52718 1 259 . 1 . 1 50 50 ILE CB C 13 41.289 . . . . . . . . 150 ILE CB . 52718 1 260 . 1 . 1 50 50 ILE N N 15 121.255 . . . . . . . . 150 ILE N . 52718 1 261 . 1 . 1 51 51 LYS H H 1 8.330 . . . . . . . . 151 LYS HN . 52718 1 262 . 1 . 1 51 51 LYS HA H 1 5.127 . . . . . . . . 151 LYS HA . 52718 1 263 . 1 . 1 51 51 LYS C C 13 175.729 . . . . . . . . 151 LYS C . 52718 1 264 . 1 . 1 51 51 LYS CA C 13 55.261 . . . . . . . . 151 LYS CA . 52718 1 265 . 1 . 1 51 51 LYS CB C 13 33.206 . . . . . . . . 151 LYS CB . 52718 1 266 . 1 . 1 51 51 LYS N N 15 124.873 . . . . . . . . 151 LYS N . 52718 1 267 . 1 . 1 52 52 HIS H H 1 9.088 . . . . . . . . 152 HIS HN . 52718 1 268 . 1 . 1 52 52 HIS HA H 1 4.705 . . . . . . . . 152 HIS HA . 52718 1 269 . 1 . 1 52 52 HIS C C 13 173.160 . . . . . . . . 152 HIS C . 52718 1 270 . 1 . 1 52 52 HIS CA C 13 55.480 . . . . . . . . 152 HIS CA . 52718 1 271 . 1 . 1 52 52 HIS CB C 13 35.398 . . . . . . . . 152 HIS CB . 52718 1 272 . 1 . 1 52 52 HIS N N 15 125.185 . . . . . . . . 152 HIS N . 52718 1 273 . 1 . 1 53 53 SER H H 1 8.074 . . . . . . . . 153 SER HN . 52718 1 274 . 1 . 1 53 53 SER HA H 1 5.036 . . . . . . . . 153 SER HA . 52718 1 275 . 1 . 1 53 53 SER C C 13 175.556 . . . . . . . . 153 SER C . 52718 1 276 . 1 . 1 53 53 SER CA C 13 57.128 . . . . . . . . 153 SER CA . 52718 1 277 . 1 . 1 53 53 SER CB C 13 62.356 . . . . . . . . 153 SER CB . 52718 1 278 . 1 . 1 53 53 SER N N 15 119.899 . . . . . . . . 153 SER N . 52718 1 279 . 1 . 1 54 54 VAL H H 1 9.266 . . . . . . . . 154 VAL HN . 52718 1 280 . 1 . 1 54 54 VAL HA H 1 4.532 . . . . . . . . 154 VAL HA . 52718 1 281 . 1 . 1 54 54 VAL C C 13 175.376 . . . . . . . . 154 VAL C . 52718 1 282 . 1 . 1 54 54 VAL CA C 13 60.662 . . . . . . . . 154 VAL CA . 52718 1 283 . 1 . 1 54 54 VAL CB C 13 35.340 . . . . . . . . 154 VAL CB . 52718 1 284 . 1 . 1 54 54 VAL N N 15 129.225 . . . . . . . . 154 VAL N . 52718 1 285 . 1 . 1 55 55 LYS H H 1 8.768 . . . . . . . . 155 LYS HN . 52718 1 286 . 1 . 1 55 55 LYS HA H 1 4.364 . . . . . . . . 155 LYS HA . 52718 1 287 . 1 . 1 55 55 LYS C C 13 178.443 . . . . . . . . 155 LYS C . 52718 1 288 . 1 . 1 55 55 LYS CA C 13 58.249 . . . . . . . . 155 LYS CA . 52718 1 289 . 1 . 1 55 55 LYS CB C 13 33.357 . . . . . . . . 155 LYS CB . 52718 1 290 . 1 . 1 55 55 LYS N N 15 124.479 . . . . . . . . 155 LYS N . 52718 1 291 . 1 . 1 56 56 ASN H H 1 8.463 . . . . . . . . 156 ASN HN . 52718 1 292 . 1 . 1 56 56 ASN HA H 1 4.500 . . . . . . . . 156 ASN HA . 52718 1 293 . 1 . 1 56 56 ASN C C 13 175.978 . . . . . . . . 156 ASN C . 52718 1 294 . 1 . 1 56 56 ASN CA C 13 55.270 . . . . . . . . 156 ASN CA . 52718 1 295 . 1 . 1 56 56 ASN CB C 13 36.871 . . . . . . . . 156 ASN CB . 52718 1 296 . 1 . 1 56 56 ASN N N 15 121.894 . . . . . . . . 156 ASN N . 52718 1 297 . 1 . 1 57 57 THR H H 1 7.049 . . . . . . . . 157 THR HN . 52718 1 298 . 1 . 1 57 57 THR HA H 1 4.446 . . . . . . . . 157 THR HA . 52718 1 299 . 1 . 1 57 57 THR C C 13 175.972 . . . . . . . . 157 THR C . 52718 1 300 . 1 . 1 57 57 THR CA C 13 62.178 . . . . . . . . 157 THR CA . 52718 1 301 . 1 . 1 57 57 THR CB C 13 68.561 . . . . . . . . 157 THR CB . 52718 1 302 . 1 . 1 57 57 THR N N 15 103.958 . . . . . . . . 157 THR N . 52718 1 303 . 1 . 1 58 58 GLU H H 1 7.967 . . . . . . . . 158 GLU HN . 52718 1 304 . 1 . 1 58 58 GLU HA H 1 4.292 . . . . . . . . 158 GLU HA . 52718 1 305 . 1 . 1 58 58 GLU C C 13 174.166 . . . . . . . . 158 GLU C . 52718 1 306 . 1 . 1 58 58 GLU CA C 13 56.389 . . . . . . . . 158 GLU CA . 52718 1 307 . 1 . 1 58 58 GLU CB C 13 28.871 . . . . . . . . 158 GLU CB . 52718 1 308 . 1 . 1 58 58 GLU N N 15 119.392 . . . . . . . . 158 GLU N . 52718 1 309 . 1 . 1 59 59 PHE H H 1 7.040 . . . . . . . . 159 PHE HN . 52718 1 310 . 1 . 1 59 59 PHE HA H 1 5.636 . . . . . . . . 159 PHE HA . 52718 1 311 . 1 . 1 59 59 PHE C C 13 172.536 . . . . . . . . 159 PHE C . 52718 1 312 . 1 . 1 59 59 PHE CA C 13 56.172 . . . . . . . . 159 PHE CA . 52718 1 313 . 1 . 1 59 59 PHE CB C 13 42.133 . . . . . . . . 159 PHE CB . 52718 1 314 . 1 . 1 59 59 PHE N N 15 111.468 . . . . . . . . 159 PHE N . 52718 1 315 . 1 . 1 60 60 ARG H H 1 8.925 . . . . . . . . 160 ARG HN . 52718 1 316 . 1 . 1 60 60 ARG HA H 1 4.717 . . . . . . . . 160 ARG HA . 52718 1 317 . 1 . 1 60 60 ARG C C 13 174.914 . . . . . . . . 160 ARG C . 52718 1 318 . 1 . 1 60 60 ARG CA C 13 53.933 . . . . . . . . 160 ARG CA . 52718 1 319 . 1 . 1 60 60 ARG CB C 13 33.318 . . . . . . . . 160 ARG CB . 52718 1 320 . 1 . 1 60 60 ARG N N 15 116.244 . . . . . . . . 160 ARG N . 52718 1 321 . 1 . 1 61 61 LYS H H 1 8.959 . . . . . . . . 161 LYS HN . 52718 1 322 . 1 . 1 61 61 LYS HA H 1 4.362 . . . . . . . . 161 LYS HA . 52718 1 323 . 1 . 1 61 61 LYS C C 13 175.885 . . . . . . . . 161 LYS C . 52718 1 324 . 1 . 1 61 61 LYS CA C 13 58.156 . . . . . . . . 161 LYS CA . 52718 1 325 . 1 . 1 61 61 LYS CB C 13 32.977 . . . . . . . . 161 LYS CB . 52718 1 326 . 1 . 1 61 61 LYS N N 15 122.921 . . . . . . . . 161 LYS N . 52718 1 327 . 1 . 1 62 62 LEU H H 1 7.915 . . . . . . . . 162 LEU HN . 52718 1 328 . 1 . 1 62 62 LEU CA C 13 57.335 . . . . . . . . 162 LEU CA . 52718 1 329 . 1 . 1 62 62 LEU CB C 13 43.152 . . . . . . . . 162 LEU CB . 52718 1 330 . 1 . 1 62 62 LEU N N 15 131.552 . . . . . . . . 162 LEU N . 52718 1 stop_ save_