################################### # 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 51283 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name vRAGE(23-125) _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' . . . 51283 1 2 '3D CBCA(CO)NH' . . . 51283 1 3 '3D HNCACB' . . . 51283 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 . . 51283 1 2 $software_2 . . 51283 1 3 $software_3 . . 51283 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 1 1 GLY CA C 13 45.4645 0.0000 . 1 . . . . . 22 GLY CA . 51283 1 2 . 1 . 1 2 2 ALA H H 1 7.8417 0.0000 . 1 . . . . . 23 ALA H . 51283 1 3 . 1 . 1 2 2 ALA CA C 13 51.8222 0.0000 . 1 . . . . . 23 ALA CA . 51283 1 4 . 1 . 1 2 2 ALA CB C 13 20.0239 0.0000 . 1 . . . . . 23 ALA CB . 51283 1 5 . 1 . 1 2 2 ALA N N 15 122.5672 0.0000 . 1 . . . . . 23 ALA N . 51283 1 6 . 1 . 1 3 3 GLN CA C 13 55.5512 0.0000 . 1 . . . . . 24 GLN CA . 51283 1 7 . 1 . 1 3 3 GLN CB C 13 29.8549 0.0000 . 1 . . . . . 24 GLN CB . 51283 1 8 . 1 . 1 4 4 ASN H H 1 8.9823 0.0000 . 1 . . . . . 25 ASN H . 51283 1 9 . 1 . 1 4 4 ASN CA C 13 54.1952 0.0000 . 1 . . . . . 25 ASN CA . 51283 1 10 . 1 . 1 4 4 ASN CB C 13 39.4147 0.0000 . 1 . . . . . 25 ASN CB . 51283 1 11 . 1 . 1 4 4 ASN N N 15 126.1765 0.0000 . 1 . . . . . 25 ASN N . 51283 1 12 . 1 . 1 5 5 ILE H H 1 9.1798 0.0000 . 1 . . . . . 26 ILE H . 51283 1 13 . 1 . 1 5 5 ILE CA C 13 58.4666 0.0000 . 1 . . . . . 26 ILE CA . 51283 1 14 . 1 . 1 5 5 ILE CB C 13 40.0249 0.0000 . 1 . . . . . 26 ILE CB . 51283 1 15 . 1 . 1 5 5 ILE N N 15 127.2210 0.0000 . 1 . . . . . 26 ILE N . 51283 1 16 . 1 . 1 6 6 THR H H 1 8.6626 0.0000 . 1 . . . . . 27 THR H . 51283 1 17 . 1 . 1 6 6 THR CA C 13 60.7718 0.0000 . 1 . . . . . 27 THR CA . 51283 1 18 . 1 . 1 6 6 THR CB C 13 69.8571 0.0000 . 1 . . . . . 27 THR CB . 51283 1 19 . 1 . 1 6 6 THR N N 15 122.7790 0.0000 . 1 . . . . . 27 THR N . 51283 1 20 . 1 . 1 7 7 ALA H H 1 8.9743 0.0000 . 1 . . . . . 28 ALA H . 51283 1 21 . 1 . 1 7 7 ALA CA C 13 50.1950 0.0000 . 1 . . . . . 28 ALA CA . 51283 1 22 . 1 . 1 7 7 ALA CB C 13 23.1427 0.0000 . 1 . . . . . 28 ALA CB . 51283 1 23 . 1 . 1 7 7 ALA N N 15 129.6030 0.0000 . 1 . . . . . 28 ALA N . 51283 1 24 . 1 . 1 8 8 ARG H H 1 8.3317 0.0000 . 1 . . . . . 29 ARG H . 51283 1 25 . 1 . 1 8 8 ARG CA C 13 55.0088 0.0000 . 1 . . . . . 29 ARG CA . 51283 1 26 . 1 . 1 8 8 ARG CB C 13 31.3465 0.0000 . 1 . . . . . 29 ARG CB . 51283 1 27 . 1 . 1 8 8 ARG N N 15 121.3838 0.0000 . 1 . . . . . 29 ARG N . 51283 1 28 . 1 . 1 9 9 ILE H H 1 8.1853 0.0000 . 1 . . . . . 30 ILE H . 51283 1 29 . 1 . 1 9 9 ILE CA C 13 62.8058 0.0000 . 1 . . . . . 30 ILE CA . 51283 1 30 . 1 . 1 9 9 ILE CB C 13 38.3299 0.0000 . 1 . . . . . 30 ILE CB . 51283 1 31 . 1 . 1 9 9 ILE N N 15 123.0273 0.0000 . 1 . . . . . 30 ILE N . 51283 1 32 . 1 . 1 10 10 GLY H H 1 9.5365 0.0000 . 1 . . . . . 31 GLY H . 51283 1 33 . 1 . 1 10 10 GLY CA C 13 44.8388 0.0000 . 1 . . . . . 31 GLY CA . 51283 1 34 . 1 . 1 10 10 GLY N N 15 114.5275 0.0000 . 1 . . . . . 31 GLY N . 51283 1 35 . 1 . 1 11 11 GLU H H 1 7.7226 0.0000 . 1 . . . . . 32 GLU H . 51283 1 36 . 1 . 1 11 11 GLU CA C 13 54.1274 0.0000 . 1 . . . . . 32 GLU CA . 51283 1 37 . 1 . 1 11 11 GLU CB C 13 29.8549 0.0000 . 1 . . . . . 32 GLU CB . 51283 1 38 . 1 . 1 11 11 GLU N N 15 126.6375 0.0000 . 1 . . . . . 32 GLU N . 51283 1 39 . 1 . 1 12 12 PRO CA C 13 61.9922 0.0000 . 1 . . . . . 33 PRO CA . 51283 1 40 . 1 . 1 12 12 PRO CB C 13 33.2449 0.0000 . 1 . . . . . 33 PRO CB . 51283 1 41 . 1 . 1 13 13 LEU H H 1 8.5811 0.0000 . 1 . . . . . 34 LEU H . 51283 1 42 . 1 . 1 13 13 LEU CA C 13 54.2630 0.0000 . 1 . . . . . 34 LEU CA . 51283 1 43 . 1 . 1 13 13 LEU CB C 13 47.0762 0.0000 . 1 . . . . . 34 LEU CB . 51283 1 44 . 1 . 1 13 13 LEU N N 15 122.1654 0.0000 . 1 . . . . . 34 LEU N . 51283 1 45 . 1 . 1 14 14 VAL H H 1 8.0895 0.0000 . 1 . . . . . 35 VAL H . 51283 1 46 . 1 . 1 14 14 VAL CA C 13 60.4328 0.0000 . 1 . . . . . 35 VAL CA . 51283 1 47 . 1 . 1 14 14 VAL CB C 13 33.6517 0.0000 . 1 . . . . . 35 VAL CB . 51283 1 48 . 1 . 1 14 14 VAL N N 15 124.8771 0.0000 . 1 . . . . . 35 VAL N . 51283 1 49 . 1 . 1 15 15 LEU H H 1 8.9073 0.0000 . 1 . . . . . 36 LEU H . 51283 1 50 . 1 . 1 15 15 LEU CA C 13 52.1612 0.0000 . 1 . . . . . 36 LEU CA . 51283 1 51 . 1 . 1 15 15 LEU CB C 13 44.3642 0.0000 . 1 . . . . . 36 LEU CB . 51283 1 52 . 1 . 1 15 15 LEU N N 15 127.0193 0.0000 . 1 . . . . . 36 LEU N . 51283 1 53 . 1 . 1 18 18 LYS CA C 13 56.3648 0.0000 . 1 . . . . . 39 LYS CA . 51283 1 54 . 1 . 1 18 18 LYS CB C 13 30.9397 0.0000 . 1 . . . . . 39 LYS CB . 51283 1 55 . 1 . 1 19 19 GLY H H 1 8.5029 0.0000 . 1 . . . . . 40 GLY H . 51283 1 56 . 1 . 1 19 19 GLY CA C 13 45.2456 0.0000 . 1 . . . . . 40 GLY CA . 51283 1 57 . 1 . 1 19 19 GLY N N 15 110.4141 0.0000 . 1 . . . . . 40 GLY N . 51283 1 58 . 1 . 1 20 20 ALA H H 1 8.5029 0.0000 . 1 . . . . . 41 ALA H . 51283 1 59 . 1 . 1 20 20 ALA CA C 13 50.0594 0.0000 . 1 . . . . . 41 ALA CA . 51283 1 60 . 1 . 1 20 20 ALA CB C 13 18.1933 0.0000 . 1 . . . . . 41 ALA CB . 51283 1 61 . 1 . 1 20 20 ALA N N 15 122.6551 0.0000 . 1 . . . . . 41 ALA N . 51283 1 62 . 1 . 1 21 21 PRO CA C 13 62.8736 0.0000 . 1 . . . . . 42 PRO CA . 51283 1 63 . 1 . 1 21 21 PRO CB C 13 32.2279 0.0000 . 1 . . . . . 42 PRO CB . 51283 1 64 . 1 . 1 22 22 LYS H H 1 8.5133 0.0000 . 1 . . . . . 43 LYS H . 51283 1 65 . 1 . 1 22 22 LYS CA C 13 57.9242 0.0000 . 1 . . . . . 43 LYS CA . 51283 1 66 . 1 . 1 22 22 LYS CB C 13 32.7025 0.0000 . 1 . . . . . 43 LYS CB . 51283 1 67 . 1 . 1 22 22 LYS N N 15 119.3741 0.0000 . 1 . . . . . 43 LYS N . 51283 1 68 . 1 . 1 25 25 PRO CA C 13 63.1448 0.0000 . 1 . . . . . 46 PRO CA . 51283 1 69 . 1 . 1 25 25 PRO CB C 13 32.0245 0.0000 . 1 . . . . . 46 PRO CB . 51283 1 70 . 1 . 1 26 26 GLN H H 1 8.2768 0.0000 . 1 . . . . . 47 GLN H . 51283 1 71 . 1 . 1 26 26 GLN CA C 13 55.4834 0.0000 . 1 . . . . . 47 GLN CA . 51283 1 72 . 1 . 1 26 26 GLN CB C 13 30.3295 0.0000 . 1 . . . . . 47 GLN CB . 51283 1 73 . 1 . 1 26 26 GLN N N 15 122.4678 0.0000 . 1 . . . . . 47 GLN N . 51283 1 74 . 1 . 1 27 27 ARG H H 1 9.1177 0.0000 . 1 . . . . . 48 ARG H . 51283 1 75 . 1 . 1 27 27 ARG CA C 13 55.3478 0.0000 . 1 . . . . . 48 ARG CA . 51283 1 76 . 1 . 1 27 27 ARG CB C 13 29.4481 0.0000 . 1 . . . . . 48 ARG CB . 51283 1 77 . 1 . 1 27 27 ARG N N 15 125.6212 0.0000 . 1 . . . . . 48 ARG N . 51283 1 78 . 1 . 1 28 28 LEU H H 1 7.8018 0.0000 . 1 . . . . . 49 LEU H . 51283 1 79 . 1 . 1 28 28 LEU CA C 13 53.9918 0.0000 . 1 . . . . . 49 LEU CA . 51283 1 80 . 1 . 1 28 28 LEU CB C 13 45.3134 0.0000 . 1 . . . . . 49 LEU CB . 51283 1 81 . 1 . 1 28 28 LEU N N 15 121.5127 0.0000 . 1 . . . . . 49 LEU N . 51283 1 82 . 1 . 1 30 30 TRP CA C 13 56.7038 0.0000 . 1 . . . . . 51 TRP CA . 51283 1 83 . 1 . 1 30 30 TRP CB C 13 32.2279 0.0000 . 1 . . . . . 51 TRP CB . 51283 1 84 . 1 . 1 31 31 LYS H H 1 9.7900 0.0000 . 1 . . . . . 52 LYS H . 51283 1 85 . 1 . 1 31 31 LYS CA C 13 55.0000 0.0000 . 1 . . . . . 52 LYS CA . 51283 1 86 . 1 . 1 31 31 LYS N N 15 120.3294 0.0000 . 1 . . . . . 52 LYS N . 51283 1 87 . 1 . 1 32 32 LEU H H 1 9.2793 0.0000 . 1 . . . . . 53 LEU H . 51283 1 88 . 1 . 1 32 32 LEU CA C 13 54.1952 0.0000 . 1 . . . . . 53 LEU CA . 51283 1 89 . 1 . 1 32 32 LEU N N 15 122.5745 0.0000 . 1 . . . . . 53 LEU N . 51283 1 90 . 1 . 1 40 40 TRP CA C 13 55.8224 0.0000 . 1 . . . . . 61 TRP CA . 51283 1 91 . 1 . 1 40 40 TRP CB C 13 34.6009 0.0000 . 1 . . . . . 61 TRP CB . 51283 1 92 . 1 . 1 41 41 LYS H H 1 9.1483 0.0000 . 1 . . . . . 62 LYS H . 51283 1 93 . 1 . 1 41 41 LYS CA C 13 56.6360 0.0000 . 1 . . . . . 62 LYS CA . 51283 1 94 . 1 . 1 41 41 LYS N N 15 125.6450 0.0000 . 1 . . . . . 62 LYS N . 51283 1 95 . 1 . 1 43 43 LEU CA C 13 53.9918 0.0000 . 1 . . . . . 64 LEU CA . 51283 1 96 . 1 . 1 43 43 LEU CB C 13 43.6862 0.0000 . 1 . . . . . 64 LEU CB . 51283 1 97 . 1 . 1 44 44 SER H H 1 8.7010 0.0000 . 1 . . . . . 65 SER H . 51283 1 98 . 1 . 1 44 44 SER CA C 13 55.8224 0.0000 . 1 . . . . . 65 SER CA . 51283 1 99 . 1 . 1 44 44 SER CB C 13 64.5686 0.0000 . 1 . . . . . 65 SER CB . 51283 1 100 . 1 . 1 44 44 SER N N 15 118.2780 0.0000 . 1 . . . . . 65 SER N . 51283 1 101 . 1 . 1 45 45 PRO CA C 13 64.5686 0.0000 . 1 . . . . . 66 PRO CA . 51283 1 102 . 1 . 1 45 45 PRO CB C 13 32.0245 0.0000 . 1 . . . . . 66 PRO CB . 51283 1 103 . 1 . 1 46 46 GLN H H 1 8.2433 0.0000 . 1 . . . . . 67 GLN H . 51283 1 104 . 1 . 1 46 46 GLN CA C 13 56.7716 0.0000 . 1 . . . . . 67 GLN CA . 51283 1 105 . 1 . 1 46 46 GLN CB C 13 29.1769 0.0000 . 1 . . . . . 67 GLN CB . 51283 1 106 . 1 . 1 46 46 GLN N N 15 116.9371 0.0000 . 1 . . . . . 67 GLN N . 51283 1 107 . 1 . 1 47 47 GLY H H 1 8.0632 0.0000 . 1 . . . . . 68 GLY H . 51283 1 108 . 1 . 1 47 47 GLY CA C 13 45.7880 0.0000 . 1 . . . . . 68 GLY CA . 51283 1 109 . 1 . 1 47 47 GLY N N 15 109.0056 0.0000 . 1 . . . . . 68 GLY N . 51283 1 110 . 1 . 1 48 48 GLY H H 1 9.0379 0.0000 . 1 . . . . . 69 GLY H . 51283 1 111 . 1 . 1 48 48 GLY CA C 13 45.3812 0.0000 . 1 . . . . . 69 GLY CA . 51283 1 112 . 1 . 1 48 48 GLY N N 15 110.6841 0.0000 . 1 . . . . . 69 GLY N . 51283 1 113 . 1 . 1 49 49 GLY H H 1 8.4538 0.0000 . 1 . . . . . 70 GLY H . 51283 1 114 . 1 . 1 49 49 GLY CA C 13 45.2456 0.0000 . 1 . . . . . 70 GLY CA . 51283 1 115 . 1 . 1 49 49 GLY N N 15 109.8642 0.0000 . 1 . . . . . 70 GLY N . 51283 1 116 . 1 . 1 50 50 PRO CA C 13 64.4330 0.0000 . 1 . . . . . 71 PRO CA . 51283 1 117 . 1 . 1 50 50 PRO CB C 13 32.0245 0.0000 . 1 . . . . . 71 PRO CB . 51283 1 118 . 1 . 1 51 51 TRP H H 1 8.4521 0.0000 . 1 . . . . . 72 TRP H . 51283 1 119 . 1 . 1 51 51 TRP CA C 13 59.2802 0.0000 . 1 . . . . . 72 TRP CA . 51283 1 120 . 1 . 1 51 51 TRP CB C 13 28.0243 0.0000 . 1 . . . . . 72 TRP CB . 51283 1 121 . 1 . 1 51 51 TRP N N 15 118.3557 0.0000 . 1 . . . . . 72 TRP N . 51283 1 122 . 1 . 1 52 52 ASP H H 1 7.9039 0.0000 . 1 . . . . . 73 ASP H . 51283 1 123 . 1 . 1 52 52 ASP CA C 13 56.7716 0.0000 . 1 . . . . . 73 ASP CA . 51283 1 124 . 1 . 1 52 52 ASP CB C 13 40.6351 0.0000 . 1 . . . . . 73 ASP CB . 51283 1 125 . 1 . 1 52 52 ASP N N 15 120.4628 0.0000 . 1 . . . . . 73 ASP N . 51283 1 126 . 1 . 1 53 53 SER H H 1 7.7217 0.0000 . 1 . . . . . 74 SER H . 51283 1 127 . 1 . 1 53 53 SER CA C 13 59.3480 0.0000 . 1 . . . . . 74 SER CA . 51283 1 128 . 1 . 1 53 53 SER CB C 13 63.4838 0.0000 . 1 . . . . . 74 SER CB . 51283 1 129 . 1 . 1 53 53 SER N N 15 111.2598 0.0000 . 1 . . . . . 74 SER N . 51283 1 130 . 1 . 1 54 54 VAL H H 1 7.7908 0.0000 . 1 . . . . . 75 VAL H . 51283 1 131 . 1 . 1 54 54 VAL CA C 13 62.8736 0.0000 . 1 . . . . . 75 VAL CA . 51283 1 132 . 1 . 1 54 54 VAL CB C 13 33.2449 0.0000 . 1 . . . . . 75 VAL CB . 51283 1 133 . 1 . 1 54 54 VAL N N 15 119.7815 0.0000 . 1 . . . . . 75 VAL N . 51283 1 134 . 1 . 1 55 55 ALA H H 1 8.2184 0.0000 . 1 . . . . . 76 ALA H . 51283 1 135 . 1 . 1 55 55 ALA CA C 13 51.8222 0.0000 . 1 . . . . . 76 ALA CA . 51283 1 136 . 1 . 1 55 55 ALA CB C 13 20.4985 0.0000 . 1 . . . . . 76 ALA CB . 51283 1 137 . 1 . 1 55 55 ALA N N 15 120.8914 0.0000 . 1 . . . . . 76 ALA N . 51283 1 138 . 1 . 1 56 56 ARG H H 1 8.9201 0.0000 . 1 . . . . . 77 ARG H . 51283 1 139 . 1 . 1 56 56 ARG CA C 13 53.8562 0.0000 . 1 . . . . . 77 ARG CA . 51283 1 140 . 1 . 1 56 56 ARG CB C 13 34.0585 0.0000 . 1 . . . . . 77 ARG CB . 51283 1 141 . 1 . 1 56 56 ARG N N 15 118.9004 0.0000 . 1 . . . . . 77 ARG N . 51283 1 142 . 1 . 1 57 57 VAL H H 1 8.6347 0.0000 . 1 . . . . . 78 VAL H . 51283 1 143 . 1 . 1 57 57 VAL CA C 13 62.1956 0.0000 . 1 . . . . . 78 VAL CA . 51283 1 144 . 1 . 1 57 57 VAL CB C 13 31.9567 0.0000 . 1 . . . . . 78 VAL CB . 51283 1 145 . 1 . 1 57 57 VAL N N 15 123.8624 0.0000 . 1 . . . . . 78 VAL N . 51283 1 146 . 1 . 1 58 58 LEU H H 1 9.3331 0.0000 . 1 . . . . . 79 LEU H . 51283 1 147 . 1 . 1 58 58 LEU CA C 13 53.7884 0.0000 . 1 . . . . . 79 LEU CA . 51283 1 148 . 1 . 1 58 58 LEU CB C 13 39.8215 0.0000 . 1 . . . . . 79 LEU CB . 51283 1 149 . 1 . 1 58 58 LEU N N 15 129.4532 0.0000 . 1 . . . . . 79 LEU N . 51283 1 150 . 1 . 1 59 59 PRO CA C 13 65.7890 0.0000 . 1 . . . . . 80 PRO CA . 51283 1 151 . 1 . 1 59 59 PRO CB C 13 31.6855 0.0000 . 1 . . . . . 80 PRO CB . 51283 1 152 . 1 . 1 60 60 ASN H H 1 7.2830 0.0000 . 1 . . . . . 81 ASN H . 51283 1 153 . 1 . 1 60 60 ASN CA C 13 52.1612 0.0000 . 1 . . . . . 81 ASN CA . 51283 1 154 . 1 . 1 60 60 ASN CB C 13 37.3129 0.0000 . 1 . . . . . 81 ASN CB . 51283 1 155 . 1 . 1 60 60 ASN N N 15 110.0324 0.0000 . 1 . . . . . 81 ASN N . 51283 1 156 . 1 . 1 61 61 GLY H H 1 8.5870 0.0000 . 1 . . . . . 82 GLY H . 51283 1 157 . 1 . 1 61 61 GLY CA C 13 45.7202 0.0000 . 1 . . . . . 82 GLY CA . 51283 1 158 . 1 . 1 61 61 GLY N N 15 109.0281 0.0000 . 1 . . . . . 82 GLY N . 51283 1 159 . 1 . 1 62 62 SER H H 1 7.7942 0.0000 . 1 . . . . . 83 SER H . 51283 1 160 . 1 . 1 62 62 SER CA C 13 59.2124 0.0000 . 1 . . . . . 83 SER CA . 51283 1 161 . 1 . 1 62 62 SER CB C 13 63.7550 0.0000 . 1 . . . . . 83 SER CB . 51283 1 162 . 1 . 1 62 62 SER N N 15 115.3956 0.0000 . 1 . . . . . 83 SER N . 51283 1 163 . 1 . 1 63 63 LEU H H 1 8.8089 0.0000 . 1 . . . . . 84 LEU H . 51283 1 164 . 1 . 1 63 63 LEU CA C 13 53.5850 0.0000 . 1 . . . . . 84 LEU CA . 51283 1 165 . 1 . 1 63 63 LEU CB C 13 41.9234 0.0000 . 1 . . . . . 84 LEU CB . 51283 1 166 . 1 . 1 63 63 LEU N N 15 124.0350 0.0000 . 1 . . . . . 84 LEU N . 51283 1 167 . 1 . 1 64 64 PHE H H 1 9.0551 0.0000 . 1 . . . . . 85 PHE H . 51283 1 168 . 1 . 1 64 64 PHE CA C 13 54.1952 0.0000 . 1 . . . . . 85 PHE CA . 51283 1 169 . 1 . 1 64 64 PHE CB C 13 42.1268 0.0000 . 1 . . . . . 85 PHE CB . 51283 1 170 . 1 . 1 64 64 PHE N N 15 126.5419 0.0000 . 1 . . . . . 85 PHE N . 51283 1 171 . 1 . 1 65 65 LEU H H 1 8.8034 0.0000 . 1 . . . . . 86 LEU H . 51283 1 172 . 1 . 1 65 65 LEU CA C 13 52.2968 0.0000 . 1 . . . . . 86 LEU CA . 51283 1 173 . 1 . 1 65 65 LEU CB C 13 42.2624 0.0000 . 1 . . . . . 86 LEU CB . 51283 1 174 . 1 . 1 65 65 LEU N N 15 130.2101 0.0000 . 1 . . . . . 86 LEU N . 51283 1 175 . 1 . 1 66 66 PRO CA C 13 63.8824 0.0000 . 1 . . . . . 87 PRO CA . 51283 1 176 . 1 . 1 66 66 PRO CB C 13 32.9737 0.0000 . 1 . . . . . 87 PRO CB . 51283 1 177 . 1 . 1 67 67 ALA H H 1 7.4052 0.0000 . 1 . . . . . 88 ALA H . 51283 1 178 . 1 . 1 67 67 ALA CA C 13 51.7544 0.0000 . 1 . . . . . 88 ALA CA . 51283 1 179 . 1 . 1 67 67 ALA CB C 13 19.1425 0.0000 . 1 . . . . . 88 ALA CB . 51283 1 180 . 1 . 1 67 67 ALA N N 15 116.3150 0.0000 . 1 . . . . . 88 ALA N . 51283 1 181 . 1 . 1 68 68 VAL H H 1 8.1044 0.0000 . 1 . . . . . 89 VAL H . 51283 1 182 . 1 . 1 68 68 VAL CA C 13 64.0940 0.0000 . 1 . . . . . 89 VAL CA . 51283 1 183 . 1 . 1 68 68 VAL CB C 13 32.1601 0.0000 . 1 . . . . . 89 VAL CB . 51283 1 184 . 1 . 1 68 68 VAL N N 15 125.3343 0.0000 . 1 . . . . . 89 VAL N . 51283 1 185 . 1 . 1 69 69 GLY H H 1 9.9021 0.0000 . 1 . . . . . 90 GLY H . 51283 1 186 . 1 . 1 69 69 GLY CA C 13 43.4150 0.0000 . 1 . . . . . 90 GLY CA . 51283 1 187 . 1 . 1 69 69 GLY N N 15 117.0152 0.0000 . 1 . . . . . 90 GLY N . 51283 1 188 . 1 . 1 70 70 ILE H H 1 8.6247 0.0000 . 1 . . . . . 91 ILE H . 51283 1 189 . 1 . 1 70 70 ILE CA C 13 63.8228 0.0000 . 1 . . . . . 91 ILE CA . 51283 1 190 . 1 . 1 70 70 ILE CB C 13 38.2621 0.0000 . 1 . . . . . 91 ILE CB . 51283 1 191 . 1 . 1 70 70 ILE N N 15 118.9502 0.0000 . 1 . . . . . 91 ILE N . 51283 1 192 . 1 . 1 71 71 GLN H H 1 8.7059 0.0000 . 1 . . . . . 92 GLN H . 51283 1 193 . 1 . 1 71 71 GLN CA C 13 57.3818 0.0000 . 1 . . . . . 92 GLN CA . 51283 1 194 . 1 . 1 71 71 GLN CB C 13 28.4311 0.0000 . 1 . . . . . 92 GLN CB . 51283 1 195 . 1 . 1 71 71 GLN N N 15 117.0262 0.0000 . 1 . . . . . 92 GLN N . 51283 1 196 . 1 . 1 72 72 ASP H H 1 7.8241 0.0000 . 1 . . . . . 93 ASP H . 51283 1 197 . 1 . 1 72 72 ASP CA C 13 55.8224 0.0000 . 1 . . . . . 93 ASP CA . 51283 1 198 . 1 . 1 72 72 ASP CB C 13 41.7877 0.0000 . 1 . . . . . 93 ASP CB . 51283 1 199 . 1 . 1 72 72 ASP N N 15 116.7330 0.0000 . 1 . . . . . 93 ASP N . 51283 1 200 . 1 . 1 73 73 GLU H H 1 6.6964 0.0000 . 1 . . . . . 94 GLU H . 51283 1 201 . 1 . 1 73 73 GLU CA C 13 57.4496 0.0000 . 1 . . . . . 94 GLU CA . 51283 1 202 . 1 . 1 73 73 GLU CB C 13 30.6685 0.0000 . 1 . . . . . 94 GLU CB . 51283 1 203 . 1 . 1 73 73 GLU N N 15 113.2348 0.0000 . 1 . . . . . 94 GLU N . 51283 1 204 . 1 . 1 74 74 GLY H H 1 8.1822 0.0000 . 1 . . . . . 95 GLY H . 51283 1 205 . 1 . 1 74 74 GLY CA C 13 45.2456 0.0000 . 1 . . . . . 95 GLY CA . 51283 1 206 . 1 . 1 74 74 GLY N N 15 110.3649 0.0000 . 1 . . . . . 95 GLY N . 51283 1 207 . 1 . 1 75 75 ILE H H 1 7.9516 0.0000 . 1 . . . . . 96 ILE H . 51283 1 208 . 1 . 1 75 75 ILE CA C 13 58.4666 0.0000 . 1 . . . . . 96 ILE CA . 51283 1 209 . 1 . 1 75 75 ILE CB C 13 39.9571 0.0000 . 1 . . . . . 96 ILE CB . 51283 1 210 . 1 . 1 75 75 ILE N N 15 120.7092 0.0000 . 1 . . . . . 96 ILE N . 51283 1 211 . 1 . 1 76 76 PHE H H 1 9.2139 0.0000 . 1 . . . . . 97 PHE H . 51283 1 212 . 1 . 1 76 76 PHE CA C 13 56.6360 0.0000 . 1 . . . . . 97 PHE CA . 51283 1 213 . 1 . 1 76 76 PHE CB C 13 43.3472 0.0000 . 1 . . . . . 97 PHE CB . 51283 1 214 . 1 . 1 76 76 PHE N N 15 124.6855 0.0000 . 1 . . . . . 97 PHE N . 51283 1 215 . 1 . 1 77 77 ARG H H 1 9.8867 0.0000 . 1 . . . . . 98 ARG H . 51283 1 216 . 1 . 1 77 77 ARG CA C 13 54.7376 0.0000 . 1 . . . . . 98 ARG CA . 51283 1 217 . 1 . 1 77 77 ARG CB C 13 34.9399 0.0000 . 1 . . . . . 98 ARG CB . 51283 1 218 . 1 . 1 77 77 ARG N N 15 122.4366 0.0000 . 1 . . . . . 98 ARG N . 51283 1 219 . 1 . 1 78 78 CYS H H 1 8.7692 0.0000 . 1 . . . . . 99 CYS H . 51283 1 220 . 1 . 1 78 78 CYS CA C 13 52.9070 0.0000 . 1 . . . . . 99 CYS CA . 51283 1 221 . 1 . 1 78 78 CYS CB C 13 46.8728 0.0000 . 1 . . . . . 99 CYS CB . 51283 1 222 . 1 . 1 78 78 CYS N N 15 122.8648 0.0000 . 1 . . . . . 99 CYS N . 51283 1 223 . 1 . 1 79 79 GLN H H 1 8.4434 0.0000 . 1 . . . . . 100 GLN H . 51283 1 224 . 1 . 1 79 79 GLN CA C 13 54.8723 0.0000 . 1 . . . . . 100 GLN CA . 51283 1 225 . 1 . 1 79 79 GLN CB C 13 31.4821 0.0000 . 1 . . . . . 100 GLN CB . 51283 1 226 . 1 . 1 79 79 GLN N N 15 127.6643 0.0000 . 1 . . . . . 100 GLN N . 51283 1 227 . 1 . 1 80 80 ALA H H 1 8.6644 0.0000 . 1 . . . . . 101 ALA H . 51283 1 228 . 1 . 1 80 80 ALA CA C 13 50.6018 0.0000 . 1 . . . . . 101 ALA CA . 51283 1 229 . 1 . 1 80 80 ALA CB C 13 22.8037 0.0000 . 1 . . . . . 101 ALA CB . 51283 1 230 . 1 . 1 80 80 ALA N N 15 127.1695 0.0000 . 1 . . . . . 101 ALA N . 51283 1 231 . 1 . 1 81 81 MET H H 1 8.0956 0.0000 . 1 . . . . . 102 MET H . 51283 1 232 . 1 . 1 81 81 MET CA C 13 54.0596 0.0000 . 1 . . . . . 102 MET CA . 51283 1 233 . 1 . 1 81 81 MET CB C 13 33.8551 0.0000 . 1 . . . . . 102 MET CB . 51283 1 234 . 1 . 1 81 81 MET N N 15 119.9232 0.0000 . 1 . . . . . 102 MET N . 51283 1 235 . 1 . 1 82 82 ASN H H 1 8.4461 0.0000 . 1 . . . . . 103 ASN H . 51283 1 236 . 1 . 1 82 82 ASN CA C 13 51.5510 0.0000 . 1 . . . . . 103 ASN CA . 51283 1 237 . 1 . 1 82 82 ASN CB C 13 39.3469 0.0000 . 1 . . . . . 103 ASN CB . 51283 1 238 . 1 . 1 82 82 ASN N N 15 122.9193 0.0000 . 1 . . . . . 103 ASN N . 51283 1 239 . 1 . 1 83 83 ARG CA C 13 58.5344 0.0000 . 1 . . . . . 104 ARG CA . 51283 1 240 . 1 . 1 83 83 ARG CB C 13 28.7871 0.0000 . 1 . . . . . 104 ARG CB . 51283 1 241 . 1 . 1 84 84 ASN H H 1 7.9832 0.0000 . 1 . . . . . 105 ASN H . 51283 1 242 . 1 . 1 84 84 ASN CA C 13 52.7714 0.0000 . 1 . . . . . 105 ASN CA . 51283 1 243 . 1 . 1 84 84 ASN CB C 13 38.8045 0.0000 . 1 . . . . . 105 ASN CB . 51283 1 244 . 1 . 1 84 84 ASN N N 15 115.9236 0.0000 . 1 . . . . . 105 ASN N . 51283 1 245 . 1 . 1 85 85 GLY H H 1 8.0541 0.0000 . 1 . . . . . 106 GLY H . 51283 1 246 . 1 . 1 85 85 GLY CA C 13 45.7880 0.0000 . 1 . . . . . 106 GLY CA . 51283 1 247 . 1 . 1 85 85 GLY N N 15 107.7798 0.0000 . 1 . . . . . 106 GLY N . 51283 1 248 . 1 . 1 86 86 LYS H H 1 7.7619 0.0000 . 1 . . . . . 107 LYS H . 51283 1 249 . 1 . 1 86 86 LYS CA C 13 55.0766 0.0000 . 1 . . . . . 107 LYS CA . 51283 1 250 . 1 . 1 86 86 LYS CB C 13 33.3805 0.0000 . 1 . . . . . 107 LYS CB . 51283 1 251 . 1 . 1 86 86 LYS N N 15 120.5686 0.0000 . 1 . . . . . 107 LYS N . 51283 1 252 . 1 . 1 87 87 GLU H H 1 8.7387 0.0000 . 1 . . . . . 108 GLU H . 51283 1 253 . 1 . 1 87 87 GLU CA C 13 55.7546 0.0000 . 1 . . . . . 108 GLU CA . 51283 1 254 . 1 . 1 87 87 GLU CB C 13 32.0245 0.0000 . 1 . . . . . 108 GLU CB . 51283 1 255 . 1 . 1 87 87 GLU N N 15 125.8811 0.0000 . 1 . . . . . 108 GLU N . 51283 1 256 . 1 . 1 88 88 THR H H 1 9.0248 0.0000 . 1 . . . . . 109 THR H . 51283 1 257 . 1 . 1 88 88 THR CA C 13 61.9922 0.0000 . 1 . . . . . 109 THR CA . 51283 1 258 . 1 . 1 88 88 THR CB C 13 70.5351 0.0000 . 1 . . . . . 109 THR CB . 51283 1 259 . 1 . 1 88 88 THR N N 15 121.2615 0.0000 . 1 . . . . . 109 THR N . 51283 1 260 . 1 . 1 89 89 LYS H H 1 8.8022 0.0000 . 1 . . . . . 110 LYS H . 51283 1 261 . 1 . 1 89 89 LYS CA C 13 55.4834 0.0000 . 1 . . . . . 110 LYS CA . 51283 1 262 . 1 . 1 89 89 LYS CB C 13 35.0077 0.0000 . 1 . . . . . 110 LYS CB . 51283 1 263 . 1 . 1 89 89 LYS N N 15 127.2112 0.0000 . 1 . . . . . 110 LYS N . 51283 1 264 . 1 . 1 91 91 ASN CA C 13 52.7714 0.0000 . 1 . . . . . 112 ASN CA . 51283 1 265 . 1 . 1 91 91 ASN CB C 13 41.7199 0.0000 . 1 . . . . . 112 ASN CB . 51283 1 266 . 1 . 1 92 92 TYR H H 1 9.6515 0.0000 . 1 . . . . . 113 TYR H . 51283 1 267 . 1 . 1 92 92 TYR CA C 13 56.9072 0.0000 . 1 . . . . . 113 TYR CA . 51283 1 268 . 1 . 1 92 92 TYR CB C 13 42.1268 0.0000 . 1 . . . . . 113 TYR CB . 51283 1 269 . 1 . 1 92 92 TYR N N 15 122.2828 0.0000 . 1 . . . . . 113 TYR N . 51283 1 270 . 1 . 1 93 93 ARG H H 1 9.0260 0.0000 . 1 . . . . . 114 ARG H . 51283 1 271 . 1 . 1 93 93 ARG CA C 13 54.8732 0.0000 . 1 . . . . . 114 ARG CA . 51283 1 272 . 1 . 1 93 93 ARG CB C 13 31.6177 0.0000 . 1 . . . . . 114 ARG CB . 51283 1 273 . 1 . 1 93 93 ARG N N 15 124.5241 0.0000 . 1 . . . . . 114 ARG N . 51283 1 274 . 1 . 1 94 94 VAL H H 1 9.2535 0.0000 . 1 . . . . . 115 VAL H . 51283 1 275 . 1 . 1 94 94 VAL CA C 13 62.1278 0.0000 . 1 . . . . . 115 VAL CA . 51283 1 276 . 1 . 1 94 94 VAL CB C 13 33.5839 0.0000 . 1 . . . . . 115 VAL CB . 51283 1 277 . 1 . 1 94 94 VAL N N 15 128.7392 0.0000 . 1 . . . . . 115 VAL N . 51283 1 278 . 1 . 1 95 95 ARG H H 1 8.7663 0.0000 . 1 . . . . . 116 ARG H . 51283 1 279 . 1 . 1 95 95 ARG CA C 13 54.1952 0.0000 . 1 . . . . . 116 ARG CA . 51283 1 280 . 1 . 1 95 95 ARG CB C 13 33.1093 0.0000 . 1 . . . . . 116 ARG CB . 51283 1 281 . 1 . 1 95 95 ARG N N 15 128.3492 0.0000 . 1 . . . . . 116 ARG N . 51283 1 282 . 1 . 1 96 96 VAL H H 1 9.2754 0.0000 . 1 . . . . . 117 VAL H . 51283 1 283 . 1 . 1 96 96 VAL CA C 13 60.4328 0.0000 . 1 . . . . . 117 VAL CA . 51283 1 284 . 1 . 1 96 96 VAL CB C 13 33.4483 0.0000 . 1 . . . . . 117 VAL CB . 51283 1 285 . 1 . 1 96 96 VAL N N 15 120.8168 0.0000 . 1 . . . . . 117 VAL N . 51283 1 286 . 1 . 1 97 97 TYR H H 1 8.4944 0.0000 . 1 . . . . . 118 TYR H . 51283 1 287 . 1 . 1 97 97 TYR CA C 13 56.9072 0.0000 . 1 . . . . . 118 TYR CA . 51283 1 288 . 1 . 1 97 97 TYR CB C 13 40.6351 0.0000 . 1 . . . . . 118 TYR CB . 51283 1 289 . 1 . 1 97 97 TYR N N 15 124.0696 0.0000 . 1 . . . . . 118 TYR N . 51283 1 290 . 1 . 1 98 98 GLN H H 1 8.3668 0.0000 . 1 . . . . . 119 GLN H . 51283 1 291 . 1 . 1 98 98 GLN CA C 13 54.9410 0.0000 . 1 . . . . . 119 GLN CA . 51283 1 292 . 1 . 1 98 98 GLN CB C 13 30.7363 0.0000 . 1 . . . . . 119 GLN CB . 51283 1 293 . 1 . 1 98 98 GLN N N 15 122.2110 0.0000 . 1 . . . . . 119 GLN N . 51283 1 294 . 1 . 1 99 99 ILE H H 1 8.2386 0.0000 . 1 . . . . . 120 ILE H . 51283 1 295 . 1 . 1 99 99 ILE CA C 13 59.0090 0.0000 . 1 . . . . . 120 ILE CA . 51283 1 296 . 1 . 1 99 99 ILE CB C 13 38.8045 0.0000 . 1 . . . . . 120 ILE CB . 51283 1 297 . 1 . 1 99 99 ILE N N 15 123.4624 0.0000 . 1 . . . . . 120 ILE N . 51283 1 298 . 1 . 1 100 100 PRO CA C 13 63.3482 0.0000 . 1 . . . . . 121 PRO CA . 51283 1 299 . 1 . 1 100 100 PRO CB C 13 32.1601 0.0000 . 1 . . . . . 121 PRO CB . 51283 1 300 . 1 . 1 101 101 GLY H H 1 8.3700 0.0000 . 1 . . . . . 122 GLY H . 51283 1 301 . 1 . 1 101 101 GLY CA C 13 45.0422 0.0000 . 1 . . . . . 122 GLY CA . 51283 1 302 . 1 . 1 101 101 GLY N N 15 109.3881 0.0000 . 1 . . . . . 122 GLY N . 51283 1 303 . 1 . 1 102 102 LYS H H 1 8.0806 0.0000 . 1 . . . . . 123 LYS H . 51283 1 304 . 1 . 1 102 102 LYS CA C 13 54.1274 0.0000 . 1 . . . . . 123 LYS CA . 51283 1 305 . 1 . 1 102 102 LYS CB C 13 32.8381 0.0000 . 1 . . . . . 123 LYS CB . 51283 1 306 . 1 . 1 102 102 LYS N N 15 122.0496 0.0000 . 1 . . . . . 123 LYS N . 51283 1 307 . 1 . 1 103 103 PRO CA C 13 63.4838 0.0000 . 1 . . . . . 124 PRO CA . 51283 1 308 . 1 . 1 103 103 PRO CB C 13 31.8211 0.0000 . 1 . . . . . 124 PRO CB . 51283 1 309 . 1 . 1 104 104 GLU H H 1 7.9694 0.0000 . 1 . . . . . 125 GLU H . 51283 1 310 . 1 . 1 104 104 GLU CA C 13 57.9920 0.0000 . 1 . . . . . 125 GLU CA . 51283 1 311 . 1 . 1 104 104 GLU CB C 13 31.4821 0.0000 . 1 . . . . . 125 GLU CB . 51283 1 312 . 1 . 1 104 104 GLU N N 15 126.2872 0.0000 . 1 . . . . . 125 GLU N . 51283 1 stop_ save_