################################### # 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 31059 _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 $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 13C-detected NCACB' . . . 31059 1 2 '3D NCACX' . . . 31059 1 3 '3D NCOCX' . . . 31059 1 4 '3D CONCACB' . . . 31059 1 5 '2D 13C-detected CORD' . . . 31059 1 6 '2D 13C-detected long, CORD' . . . 31059 1 7 '2D 13C-detected long, CORD' . . . 31059 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 9 9 SER C C 13 171.798 0.028 . 1 . . . . A 305 SER C . 31059 1 2 . 1 . 1 9 9 SER CA C 13 56.432 0.140 . 1 . . . . A 305 SER CA . 31059 1 3 . 1 . 1 9 9 SER CB C 13 62.896 0.144 . 1 . . . . A 305 SER CB . 31059 1 4 . 1 . 1 9 9 SER N N 15 116.880 0.140 . 1 . . . . A 305 SER N . 31059 1 5 . 1 . 1 10 10 VAL C C 13 172.728 0.061 . 1 . . . . A 306 VAL C . 31059 1 6 . 1 . 1 10 10 VAL CA C 13 59.783 0.047 . 1 . . . . A 306 VAL CA . 31059 1 7 . 1 . 1 10 10 VAL CB C 13 33.998 0.090 . 1 . . . . A 306 VAL CB . 31059 1 8 . 1 . 1 10 10 VAL CG1 C 13 19.055 0.085 . 1 . . . . A 306 VAL CG1 . 31059 1 9 . 1 . 1 10 10 VAL N N 15 122.898 0.099 . 1 . . . . A 306 VAL N . 31059 1 10 . 1 . 1 11 11 GLN C C 13 171.834 0.061 . 1 . . . . A 307 GLN C . 31059 1 11 . 1 . 1 11 11 GLN CA C 13 52.428 0.048 . 1 . . . . A 307 GLN CA . 31059 1 12 . 1 . 1 11 11 GLN CB C 13 31.055 0.064 . 1 . . . . A 307 GLN CB . 31059 1 13 . 1 . 1 11 11 GLN CG C 13 32.691 0.094 . 1 . . . . A 307 GLN CG . 31059 1 14 . 1 . 1 11 11 GLN CD C 13 177.294 0.074 . 1 . . . . A 307 GLN CD . 31059 1 15 . 1 . 1 11 11 GLN N N 15 129.652 0.079 . 1 . . . . A 307 GLN N . 31059 1 16 . 1 . 1 12 12 ILE CA C 13 58.129 0.104 . 1 . . . . A 308 ILE CA . 31059 1 17 . 1 . 1 12 12 ILE CB C 13 39.089 0.100 . 1 . . . . A 308 ILE CB . 31059 1 18 . 1 . 1 12 12 ILE CG1 C 13 25.408 0.071 . 1 . . . . A 308 ILE CG1 . 31059 1 19 . 1 . 1 12 12 ILE CG2 C 13 14.917 0.078 . 1 . . . . A 308 ILE CG2 . 31059 1 20 . 1 . 1 12 12 ILE CD1 C 13 12.596 0.072 . 1 . . . . A 308 ILE CD1 . 31059 1 21 . 1 . 1 12 12 ILE N N 15 126.951 0.122 . 1 . . . . A 308 ILE N . 31059 1 22 . 1 . 1 13 13 VAL C C 13 170.540 0.071 . 1 . . . . A 309 VAL C . 31059 1 23 . 1 . 1 13 13 VAL CA C 13 59.409 0.059 . 1 . . . . A 309 VAL CA . 31059 1 24 . 1 . 1 13 13 VAL CB C 13 32.002 0.075 . 1 . . . . A 309 VAL CB . 31059 1 25 . 1 . 1 13 13 VAL CG1 C 13 19.487 0.054 . 2 . . . . A 309 VAL CG1 . 31059 1 26 . 1 . 1 13 13 VAL CG2 C 13 17.962 0.059 . 2 . . . . A 309 VAL CG2 . 31059 1 27 . 1 . 1 13 13 VAL N N 15 128.144 0.104 . 1 . . . . A 309 VAL N . 31059 1 28 . 1 . 1 14 14 TYR C C 13 170.969 0.072 . 1 . . . . A 310 TYR C . 31059 1 29 . 1 . 1 14 14 TYR CA C 13 55.149 0.080 . 1 . . . . A 310 TYR CA . 31059 1 30 . 1 . 1 14 14 TYR CB C 13 37.989 0.061 . 1 . . . . A 310 TYR CB . 31059 1 31 . 1 . 1 14 14 TYR CG C 13 124.839 0.053 . 1 . . . . A 310 TYR CG . 31059 1 32 . 1 . 1 14 14 TYR CD1 C 13 132.496 0.137 . 1 . . . . A 310 TYR CD1 . 31059 1 33 . 1 . 1 14 14 TYR CD2 C 13 132.496 0.137 . 1 . . . . A 310 TYR CD2 . 31059 1 34 . 1 . 1 14 14 TYR CE1 C 13 115.554 0.000 . 1 . . . . A 310 TYR CE1 . 31059 1 35 . 1 . 1 14 14 TYR CE2 C 13 115.554 0.000 . 1 . . . . A 310 TYR CE2 . 31059 1 36 . 1 . 1 14 14 TYR CZ C 13 155.560 0.085 . 1 . . . . A 310 TYR CZ . 31059 1 37 . 1 . 1 14 14 TYR N N 15 132.262 0.057 . 1 . . . . A 310 TYR N . 31059 1 38 . 1 . 1 15 15 LYS C C 13 169.274 0.042 . 1 . . . . A 311 LYS C . 31059 1 39 . 1 . 1 15 15 LYS CA C 13 52.020 0.053 . 1 . . . . A 311 LYS CA . 31059 1 40 . 1 . 1 15 15 LYS CB C 13 32.696 0.075 . 1 . . . . A 311 LYS CB . 31059 1 41 . 1 . 1 15 15 LYS CG C 13 22.767 0.052 . 1 . . . . A 311 LYS CG . 31059 1 42 . 1 . 1 15 15 LYS CD C 13 28.381 0.050 . 1 . . . . A 311 LYS CD . 31059 1 43 . 1 . 1 15 15 LYS CE C 13 40.029 0.073 . 1 . . . . A 311 LYS CE . 31059 1 44 . 1 . 1 15 15 LYS N N 15 124.958 0.073 . 1 . . . . A 311 LYS N . 31059 1 45 . 1 . 1 16 16 PRO C C 13 172.945 0.060 . 1 . . . . A 312 PRO C . 31059 1 46 . 1 . 1 16 16 PRO CA C 13 61.533 0.054 . 1 . . . . A 312 PRO CA . 31059 1 47 . 1 . 1 16 16 PRO CB C 13 30.928 0.063 . 1 . . . . A 312 PRO CB . 31059 1 48 . 1 . 1 16 16 PRO CG C 13 25.560 0.067 . 1 . . . . A 312 PRO CG . 31059 1 49 . 1 . 1 16 16 PRO CD C 13 48.889 0.047 . 1 . . . . A 312 PRO CD . 31059 1 50 . 1 . 1 16 16 PRO N N 15 135.873 0.081 . 1 . . . . A 312 PRO N . 31059 1 51 . 1 . 1 17 17 VAL C C 13 172.638 0.083 . 1 . . . . A 313 VAL C . 31059 1 52 . 1 . 1 17 17 VAL CA C 13 59.563 0.069 . 1 . . . . A 313 VAL CA . 31059 1 53 . 1 . 1 17 17 VAL CB C 13 33.659 0.101 . 1 . . . . A 313 VAL CB . 31059 1 54 . 1 . 1 17 17 VAL CG1 C 13 19.675 0.065 . 2 . . . . A 313 VAL CG1 . 31059 1 55 . 1 . 1 17 17 VAL CG2 C 13 18.890 0.066 . 2 . . . . A 313 VAL CG2 . 31059 1 56 . 1 . 1 17 17 VAL N N 15 119.813 0.104 . 1 . . . . A 313 VAL N . 31059 1 57 . 1 . 1 18 18 ASP C C 13 171.568 0.089 . 1 . . . . A 314 ASP C . 31059 1 58 . 1 . 1 18 18 ASP CA C 13 51.179 0.040 . 1 . . . . A 314 ASP CA . 31059 1 59 . 1 . 1 18 18 ASP CB C 13 43.884 0.108 . 1 . . . . A 314 ASP CB . 31059 1 60 . 1 . 1 18 18 ASP CG C 13 179.858 0.092 . 1 . . . . A 314 ASP CG . 31059 1 61 . 1 . 1 18 18 ASP N N 15 127.988 0.087 . 1 . . . . A 314 ASP N . 31059 1 62 . 1 . 1 19 19 LEU C C 13 171.316 0.053 . 1 . . . . A 315 LEU C . 31059 1 63 . 1 . 1 19 19 LEU CA C 13 51.135 0.052 . 1 . . . . A 315 LEU CA . 31059 1 64 . 1 . 1 19 19 LEU CB C 13 43.279 0.071 . 1 . . . . A 315 LEU CB . 31059 1 65 . 1 . 1 19 19 LEU CG C 13 25.638 0.068 . 1 . . . . A 315 LEU CG . 31059 1 66 . 1 . 1 19 19 LEU CD1 C 13 23.726 0.087 . 1 . . . . A 315 LEU CD1 . 31059 1 67 . 1 . 1 19 19 LEU N N 15 124.048 0.097 . 1 . . . . A 315 LEU N . 31059 1 68 . 1 . 1 20 20 SER C C 13 172.557 0.081 . 1 . . . . A 316 SER C . 31059 1 69 . 1 . 1 20 20 SER CA C 13 53.983 0.067 . 1 . . . . A 316 SER CA . 31059 1 70 . 1 . 1 20 20 SER CB C 13 63.232 0.136 . 1 . . . . A 316 SER CB . 31059 1 71 . 1 . 1 20 20 SER N N 15 120.497 0.092 . 1 . . . . A 316 SER N . 31059 1 72 . 1 . 1 21 21 LYS C C 13 172.111 0.048 . 1 . . . . A 317 LYS C . 31059 1 73 . 1 . 1 21 21 LYS CA C 13 52.758 0.054 . 1 . . . . A 317 LYS CA . 31059 1 74 . 1 . 1 21 21 LYS CB C 13 35.169 0.012 . 1 . . . . A 317 LYS CB . 31059 1 75 . 1 . 1 21 21 LYS CG C 13 23.448 0.142 . 1 . . . . A 317 LYS CG . 31059 1 76 . 1 . 1 21 21 LYS CD C 13 28.322 0.057 . 1 . . . . A 317 LYS CD . 31059 1 77 . 1 . 1 21 21 LYS CE C 13 39.994 0.064 . 1 . . . . A 317 LYS CE . 31059 1 78 . 1 . 1 21 21 LYS N N 15 122.656 0.036 . 1 . . . . A 317 LYS N . 31059 1 79 . 1 . 1 22 22 VAL C C 13 173.408 0.069 . 1 . . . . A 318 VAL C . 31059 1 80 . 1 . 1 22 22 VAL CA C 13 59.038 0.065 . 1 . . . . A 318 VAL CA . 31059 1 81 . 1 . 1 22 22 VAL CB C 13 33.511 0.066 . 1 . . . . A 318 VAL CB . 31059 1 82 . 1 . 1 22 22 VAL CG1 C 13 20.276 0.054 . 2 . . . . A 318 VAL CG1 . 31059 1 83 . 1 . 1 22 22 VAL CG2 C 13 19.873 0.050 . 2 . . . . A 318 VAL CG2 . 31059 1 84 . 1 . 1 22 22 VAL N N 15 124.637 0.073 . 1 . . . . A 318 VAL N . 31059 1 85 . 1 . 1 23 23 THR C C 13 170.929 0.057 . 1 . . . . A 319 THR C . 31059 1 86 . 1 . 1 23 23 THR CA C 13 59.508 0.059 . 1 . . . . A 319 THR CA . 31059 1 87 . 1 . 1 23 23 THR CB C 13 67.791 0.078 . 1 . . . . A 319 THR CB . 31059 1 88 . 1 . 1 23 23 THR CG2 C 13 19.559 0.058 . 1 . . . . A 319 THR CG2 . 31059 1 89 . 1 . 1 23 23 THR N N 15 127.357 0.095 . 1 . . . . A 319 THR N . 31059 1 90 . 1 . 1 24 24 SER C C 13 170.523 0.046 . 1 . . . . A 320 SER C . 31059 1 91 . 1 . 1 24 24 SER CA C 13 53.283 0.055 . 1 . . . . A 320 SER CA . 31059 1 92 . 1 . 1 24 24 SER CB C 13 63.789 0.077 . 1 . . . . A 320 SER CB . 31059 1 93 . 1 . 1 24 24 SER N N 15 122.024 0.131 . 1 . . . . A 320 SER N . 31059 1 94 . 1 . 1 25 25 LYS C C 13 175.510 0.050 . 1 . . . . A 321 LYS C . 31059 1 95 . 1 . 1 25 25 LYS CA C 13 52.977 0.048 . 1 . . . . A 321 LYS CA . 31059 1 96 . 1 . 1 25 25 LYS CB C 13 35.539 0.058 . 1 . . . . A 321 LYS CB . 31059 1 97 . 1 . 1 25 25 LYS CG C 13 23.681 0.085 . 1 . . . . A 321 LYS CG . 31059 1 98 . 1 . 1 25 25 LYS CD C 13 27.774 0.135 . 1 . . . . A 321 LYS CD . 31059 1 99 . 1 . 1 25 25 LYS CE C 13 40.012 0.062 . 1 . . . . A 321 LYS CE . 31059 1 100 . 1 . 1 25 25 LYS N N 15 123.393 0.078 . 1 . . . . A 321 LYS N . 31059 1 101 . 1 . 1 26 26 CYS C C 13 170.695 0.098 . 1 . . . . A 322 CYS C . 31059 1 102 . 1 . 1 26 26 CYS CA C 13 57.889 0.110 . 1 . . . . A 322 CYS CA . 31059 1 103 . 1 . 1 26 26 CYS CB C 13 22.764 0.079 . 1 . . . . A 322 CYS CB . 31059 1 104 . 1 . 1 26 26 CYS N N 15 123.711 0.076 . 1 . . . . A 322 CYS N . 31059 1 105 . 1 . 1 27 27 GLY C C 13 172.097 0.067 . 1 . . . . A 323 GLY C . 31059 1 106 . 1 . 1 27 27 GLY CA C 13 45.583 0.075 . 1 . . . . A 323 GLY CA . 31059 1 107 . 1 . 1 27 27 GLY N N 15 115.012 0.153 . 1 . . . . A 323 GLY N . 31059 1 108 . 1 . 1 28 28 SER C C 13 170.976 0.044 . 1 . . . . A 324 SER C . 31059 1 109 . 1 . 1 28 28 SER CA C 13 56.534 0.099 . 1 . . . . A 324 SER CA . 31059 1 110 . 1 . 1 28 28 SER CB C 13 64.895 0.064 . 1 . . . . A 324 SER CB . 31059 1 111 . 1 . 1 28 28 SER N N 15 112.646 0.137 . 1 . . . . A 324 SER N . 31059 1 112 . 1 . 1 29 29 LEU C C 13 175.540 0.041 . 1 . . . . A 325 LEU C . 31059 1 113 . 1 . 1 29 29 LEU CA C 13 53.282 0.057 . 1 . . . . A 325 LEU CA . 31059 1 114 . 1 . 1 29 29 LEU CB C 13 44.783 0.104 . 1 . . . . A 325 LEU CB . 31059 1 115 . 1 . 1 29 29 LEU CG C 13 27.731 0.061 . 1 . . . . A 325 LEU CG . 31059 1 116 . 1 . 1 29 29 LEU CD1 C 13 23.599 0.041 . 1 . . . . A 325 LEU CD1 . 31059 1 117 . 1 . 1 29 29 LEU N N 15 118.248 0.062 . 1 . . . . A 325 LEU N . 31059 1 118 . 1 . 1 30 30 GLY C C 13 168.144 0.053 . 1 . . . . A 326 GLY C . 31059 1 119 . 1 . 1 30 30 GLY CA C 13 43.121 0.104 . 1 . . . . A 326 GLY CA . 31059 1 120 . 1 . 1 30 30 GLY N N 15 107.028 0.119 . 1 . . . . A 326 GLY N . 31059 1 121 . 1 . 1 31 31 ASN C C 13 171.301 0.087 . 1 . . . . A 327 ASN C . 31059 1 122 . 1 . 1 31 31 ASN CA C 13 50.523 0.092 . 1 . . . . A 327 ASN CA . 31059 1 123 . 1 . 1 31 31 ASN CB C 13 41.283 0.146 . 1 . . . . A 327 ASN CB . 31059 1 124 . 1 . 1 31 31 ASN CG C 13 173.619 0.017 . 1 . . . . A 327 ASN CG . 31059 1 125 . 1 . 1 31 31 ASN N N 15 125.912 0.128 . 1 . . . . A 327 ASN N . 31059 1 126 . 1 . 1 32 32 ILE C C 13 174.103 0.045 . 1 . . . . A 328 ILE C . 31059 1 127 . 1 . 1 32 32 ILE CA C 13 58.731 0.072 . 1 . . . . A 328 ILE CA . 31059 1 128 . 1 . 1 32 32 ILE CB C 13 42.170 0.139 . 1 . . . . A 328 ILE CB . 31059 1 129 . 1 . 1 32 32 ILE CG1 C 13 26.307 0.070 . 1 . . . . A 328 ILE CG1 . 31059 1 130 . 1 . 1 32 32 ILE CG2 C 13 15.377 0.054 . 1 . . . . A 328 ILE CG2 . 31059 1 131 . 1 . 1 32 32 ILE CD1 C 13 13.664 0.088 . 1 . . . . A 328 ILE CD1 . 31059 1 132 . 1 . 1 32 32 ILE N N 15 120.299 0.068 . 1 . . . . A 328 ILE N . 31059 1 133 . 1 . 1 33 33 HIS CB C 13 28.426 0.041 . 1 . . . . A 329 HIS CB . 31059 1 134 . 1 . 1 33 33 HIS N N 15 130.983 0.041 . 1 . . . . A 329 HIS N . 31059 1 135 . 1 . 1 34 34 HIS C C 13 169.548 0.079 . 1 . . . . A 330 HIS C . 31059 1 136 . 1 . 1 34 34 HIS CA C 13 53.630 0.084 . 1 . . . . A 330 HIS CA . 31059 1 137 . 1 . 1 34 34 HIS CB C 13 30.590 0.126 . 1 . . . . A 330 HIS CB . 31059 1 138 . 1 . 1 34 34 HIS CG C 13 134.462 0.174 . 1 . . . . A 330 HIS CG . 31059 1 139 . 1 . 1 34 34 HIS CD2 C 13 114.031 0.127 . 1 . . . . A 330 HIS CD2 . 31059 1 140 . 1 . 1 35 35 LYS C C 13 168.632 0.021 . 1 . . . . A 331 LYS C . 31059 1 141 . 1 . 1 35 35 LYS CA C 13 55.086 0.093 . 1 . . . . A 331 LYS CA . 31059 1 142 . 1 . 1 35 35 LYS CB C 13 30.495 0.068 . 1 . . . . A 331 LYS CB . 31059 1 143 . 1 . 1 35 35 LYS CG C 13 23.673 0.082 . 1 . . . . A 331 LYS CG . 31059 1 144 . 1 . 1 35 35 LYS CD C 13 27.851 0.079 . 1 . . . . A 331 LYS CD . 31059 1 145 . 1 . 1 35 35 LYS CE C 13 39.548 0.125 . 1 . . . . A 331 LYS CE . 31059 1 146 . 1 . 1 35 35 LYS N N 15 128.975 0.083 . 1 . . . . A 331 LYS N . 31059 1 147 . 1 . 1 36 36 PRO C C 13 175.103 0.119 . 1 . . . . A 332 PRO C . 31059 1 148 . 1 . 1 36 36 PRO CA C 13 61.559 0.047 . 1 . . . . A 332 PRO CA . 31059 1 149 . 1 . 1 36 36 PRO CB C 13 30.472 0.075 . 1 . . . . A 332 PRO CB . 31059 1 150 . 1 . 1 36 36 PRO CG C 13 27.180 0.090 . 1 . . . . A 332 PRO CG . 31059 1 151 . 1 . 1 36 36 PRO CD C 13 47.611 0.078 . 1 . . . . A 332 PRO CD . 31059 1 152 . 1 . 1 37 37 GLY C C 13 173.155 0.071 . 1 . . . . A 333 GLY C . 31059 1 153 . 1 . 1 37 37 GLY CA C 13 43.012 0.073 . 1 . . . . A 333 GLY CA . 31059 1 154 . 1 . 1 37 37 GLY N N 15 111.134 0.086 . 1 . . . . A 333 GLY N . 31059 1 155 . 1 . 1 38 38 GLY C C 13 174.744 0.057 . 1 . . . . A 334 GLY C . 31059 1 156 . 1 . 1 38 38 GLY CA C 13 42.104 0.063 . 1 . . . . A 334 GLY CA . 31059 1 157 . 1 . 1 38 38 GLY N N 15 111.247 0.045 . 1 . . . . A 334 GLY N . 31059 1 158 . 1 . 1 39 39 GLY C C 13 171.243 0.066 . 1 . . . . A 335 GLY C . 31059 1 159 . 1 . 1 39 39 GLY CA C 13 42.182 0.050 . 1 . . . . A 335 GLY CA . 31059 1 160 . 1 . 1 39 39 GLY N N 15 106.955 0.128 . 1 . . . . A 335 GLY N . 31059 1 161 . 1 . 1 40 40 GLN C C 13 170.768 0.057 . 1 . . . . A 336 GLN C . 31059 1 162 . 1 . 1 40 40 GLN CA C 13 54.600 0.064 . 1 . . . . A 336 GLN CA . 31059 1 163 . 1 . 1 40 40 GLN CB C 13 25.627 0.076 . 1 . . . . A 336 GLN CB . 31059 1 164 . 1 . 1 40 40 GLN CG C 13 28.129 0.072 . 1 . . . . A 336 GLN CG . 31059 1 165 . 1 . 1 40 40 GLN CD C 13 174.483 0.033 . 1 . . . . A 336 GLN CD . 31059 1 166 . 1 . 1 40 40 GLN N N 15 122.247 0.090 . 1 . . . . A 336 GLN N . 31059 1 167 . 1 . 1 41 41 VAL C C 13 171.531 0.068 . 1 . . . . A 337 VAL C . 31059 1 168 . 1 . 1 41 41 VAL CA C 13 59.350 0.068 . 1 . . . . A 337 VAL CA . 31059 1 169 . 1 . 1 41 41 VAL CB C 13 34.065 0.101 . 1 . . . . A 337 VAL CB . 31059 1 170 . 1 . 1 41 41 VAL CG1 C 13 18.970 0.084 . 2 . . . . A 337 VAL CG1 . 31059 1 171 . 1 . 1 41 41 VAL CG2 C 13 18.776 0.025 . 2 . . . . A 337 VAL CG2 . 31059 1 172 . 1 . 1 41 41 VAL N N 15 119.426 0.075 . 1 . . . . A 337 VAL N . 31059 1 173 . 1 . 1 42 42 GLU C C 13 171.534 0.074 . 1 . . . . A 338 GLU C . 31059 1 174 . 1 . 1 42 42 GLU CA C 13 52.266 0.047 . 1 . . . . A 338 GLU CA . 31059 1 175 . 1 . 1 42 42 GLU CB C 13 30.668 0.090 . 1 . . . . A 338 GLU CB . 31059 1 176 . 1 . 1 42 42 GLU CG C 13 32.730 0.058 . 1 . . . . A 338 GLU CG . 31059 1 177 . 1 . 1 42 42 GLU N N 15 131.521 0.096 . 1 . . . . A 338 GLU N . 31059 1 178 . 1 . 1 43 43 VAL C C 13 173.210 0.056 . 1 . . . . A 339 VAL C . 31059 1 179 . 1 . 1 43 43 VAL CA C 13 57.714 0.070 . 1 . . . . A 339 VAL CA . 31059 1 180 . 1 . 1 43 43 VAL CB C 13 32.212 0.072 . 1 . . . . A 339 VAL CB . 31059 1 181 . 1 . 1 43 43 VAL CG1 C 13 19.657 0.080 . 2 . . . . A 339 VAL CG1 . 31059 1 182 . 1 . 1 43 43 VAL CG2 C 13 19.091 0.058 . 2 . . . . A 339 VAL CG2 . 31059 1 183 . 1 . 1 43 43 VAL N N 15 127.450 0.083 . 1 . . . . A 339 VAL N . 31059 1 184 . 1 . 1 44 44 LYS C C 13 172.942 0.054 . 1 . . . . A 340 LYS C . 31059 1 185 . 1 . 1 44 44 LYS CA C 13 52.479 0.067 . 1 . . . . A 340 LYS CA . 31059 1 186 . 1 . 1 44 44 LYS CB C 13 36.038 0.042 . 1 . . . . A 340 LYS CB . 31059 1 187 . 1 . 1 44 44 LYS CG C 13 22.036 0.071 . 1 . . . . A 340 LYS CG . 31059 1 188 . 1 . 1 44 44 LYS CD C 13 29.661 0.057 . 1 . . . . A 340 LYS CD . 31059 1 189 . 1 . 1 44 44 LYS CE C 13 40.125 0.070 . 1 . . . . A 340 LYS CE . 31059 1 190 . 1 . 1 44 44 LYS N N 15 115.697 0.096 . 1 . . . . A 340 LYS N . 31059 1 191 . 1 . 1 45 45 SER C C 13 170.394 0.060 . 1 . . . . A 341 SER C . 31059 1 192 . 1 . 1 45 45 SER CA C 13 54.768 0.057 . 1 . . . . A 341 SER CA . 31059 1 193 . 1 . 1 45 45 SER CB C 13 62.670 0.057 . 1 . . . . A 341 SER CB . 31059 1 194 . 1 . 1 45 45 SER N N 15 112.047 0.083 . 1 . . . . A 341 SER N . 31059 1 195 . 1 . 1 46 46 GLU C C 13 173.172 0.067 . 1 . . . . A 342 GLU C . 31059 1 196 . 1 . 1 46 46 GLU CA C 13 53.352 0.040 . 1 . . . . A 342 GLU CA . 31059 1 197 . 1 . 1 46 46 GLU CB C 13 31.778 0.062 . 1 . . . . A 342 GLU CB . 31059 1 198 . 1 . 1 46 46 GLU CG C 13 32.818 0.084 . 1 . . . . A 342 GLU CG . 31059 1 199 . 1 . 1 46 46 GLU CD C 13 179.423 0.057 . 1 . . . . A 342 GLU CD . 31059 1 200 . 1 . 1 46 46 GLU N N 15 132.420 0.090 . 1 . . . . A 342 GLU N . 31059 1 201 . 1 . 1 47 47 LYS C C 13 171.908 0.054 . 1 . . . . A 343 LYS C . 31059 1 202 . 1 . 1 47 47 LYS CA C 13 53.411 0.038 . 1 . . . . A 343 LYS CA . 31059 1 203 . 1 . 1 47 47 LYS CB C 13 33.918 0.066 . 1 . . . . A 343 LYS CB . 31059 1 204 . 1 . 1 47 47 LYS CG C 13 23.465 0.081 . 1 . . . . A 343 LYS CG . 31059 1 205 . 1 . 1 47 47 LYS CD C 13 28.077 0.063 . 1 . . . . A 343 LYS CD . 31059 1 206 . 1 . 1 47 47 LYS CE C 13 42.938 0.087 . 1 . . . . A 343 LYS CE . 31059 1 207 . 1 . 1 47 47 LYS N N 15 130.606 0.107 . 1 . . . . A 343 LYS N . 31059 1 208 . 1 . 1 48 48 LEU C C 13 172.541 0.048 . 1 . . . . A 344 LEU C . 31059 1 209 . 1 . 1 48 48 LEU CA C 13 52.958 0.072 . 1 . . . . A 344 LEU CA . 31059 1 210 . 1 . 1 48 48 LEU CB C 13 42.801 0.028 . 1 . . . . A 344 LEU CB . 31059 1 211 . 1 . 1 48 48 LEU CG C 13 28.322 0.071 . 1 . . . . A 344 LEU CG . 31059 1 212 . 1 . 1 48 48 LEU CD1 C 13 24.368 0.050 . 2 . . . . A 344 LEU CD1 . 31059 1 213 . 1 . 1 48 48 LEU CD2 C 13 22.406 0.137 . 2 . . . . A 344 LEU CD2 . 31059 1 214 . 1 . 1 48 48 LEU N N 15 127.318 0.101 . 1 . . . . A 344 LEU N . 31059 1 215 . 1 . 1 49 49 ASP C C 13 172.578 0.000 . 1 . . . . A 345 ASP C . 31059 1 216 . 1 . 1 49 49 ASP CA C 13 51.111 0.077 . 1 . . . . A 345 ASP CA . 31059 1 217 . 1 . 1 49 49 ASP CB C 13 42.725 0.067 . 1 . . . . A 345 ASP CB . 31059 1 218 . 1 . 1 49 49 ASP CG C 13 178.529 0.090 . 1 . . . . A 345 ASP CG . 31059 1 219 . 1 . 1 49 49 ASP N N 15 123.954 0.132 . 1 . . . . A 345 ASP N . 31059 1 220 . 1 . 1 50 50 PHE C C 13 172.892 0.018 . 1 . . . . A 346 PHE C . 31059 1 221 . 1 . 1 50 50 PHE CA C 13 53.930 0.144 . 1 . . . . A 346 PHE CA . 31059 1 222 . 1 . 1 50 50 PHE CB C 13 39.628 0.000 . 1 . . . . A 346 PHE CB . 31059 1 223 . 1 . 1 50 50 PHE CG C 13 134.781 0.083 . 1 . . . . A 346 PHE CG . 31059 1 224 . 1 . 1 51 51 LYS C C 13 174.001 0.080 . 1 . . . . A 347 LYS C . 31059 1 225 . 1 . 1 51 51 LYS CA C 13 52.854 0.047 . 1 . . . . A 347 LYS CA . 31059 1 226 . 1 . 1 51 51 LYS CB C 13 31.147 0.082 . 1 . . . . A 347 LYS CB . 31059 1 227 . 1 . 1 51 51 LYS CG C 13 22.759 0.060 . 1 . . . . A 347 LYS CG . 31059 1 228 . 1 . 1 51 51 LYS CD C 13 28.110 0.123 . 1 . . . . A 347 LYS CD . 31059 1 229 . 1 . 1 51 51 LYS N N 15 128.540 0.079 . 1 . . . . A 347 LYS N . 31059 1 230 . 1 . 1 52 52 ASP C C 13 175.468 0.092 . 1 . . . . A 348 ASP C . 31059 1 231 . 1 . 1 52 52 ASP CA C 13 53.168 0.059 . 1 . . . . A 348 ASP CA . 31059 1 232 . 1 . 1 52 52 ASP CB C 13 39.953 0.087 . 1 . . . . A 348 ASP CB . 31059 1 233 . 1 . 1 52 52 ASP N N 15 124.723 0.111 . 1 . . . . A 348 ASP N . 31059 1 234 . 1 . 1 53 53 ARG C C 13 171.328 0.062 . 1 . . . . A 349 ARG C . 31059 1 235 . 1 . 1 53 53 ARG CA C 13 53.329 0.043 . 1 . . . . A 349 ARG CA . 31059 1 236 . 1 . 1 53 53 ARG CB C 13 30.326 0.044 . 1 . . . . A 349 ARG CB . 31059 1 237 . 1 . 1 53 53 ARG CG C 13 26.162 0.054 . 1 . . . . A 349 ARG CG . 31059 1 238 . 1 . 1 53 53 ARG CD C 13 41.953 0.069 . 1 . . . . A 349 ARG CD . 31059 1 239 . 1 . 1 53 53 ARG CZ C 13 157.356 0.078 . 1 . . . . A 349 ARG CZ . 31059 1 240 . 1 . 1 53 53 ARG N N 15 120.284 0.118 . 1 . . . . A 349 ARG N . 31059 1 241 . 1 . 1 53 53 ARG NE N 15 84.902 0.073 . 1 . . . . A 349 ARG NE . 31059 1 242 . 1 . 1 54 54 VAL C C 13 172.543 0.058 . 1 . . . . A 350 VAL C . 31059 1 243 . 1 . 1 54 54 VAL CA C 13 59.063 0.072 . 1 . . . . A 350 VAL CA . 31059 1 244 . 1 . 1 54 54 VAL CB C 13 30.328 0.139 . 1 . . . . A 350 VAL CB . 31059 1 245 . 1 . 1 54 54 VAL CG1 C 13 20.330 0.042 . 2 . . . . A 350 VAL CG1 . 31059 1 246 . 1 . 1 54 54 VAL CG2 C 13 18.660 0.038 . 2 . . . . A 350 VAL CG2 . 31059 1 247 . 1 . 1 54 54 VAL N N 15 128.644 0.095 . 1 . . . . A 350 VAL N . 31059 1 248 . 1 . 1 55 55 GLN C C 13 171.079 0.055 . 1 . . . . A 351 GLN C . 31059 1 249 . 1 . 1 55 55 GLN CA C 13 51.932 0.043 . 1 . . . . A 351 GLN CA . 31059 1 250 . 1 . 1 55 55 GLN CB C 13 32.597 0.063 . 1 . . . . A 351 GLN CB . 31059 1 251 . 1 . 1 55 55 GLN CG C 13 27.510 0.022 . 1 . . . . A 351 GLN CG . 31059 1 252 . 1 . 1 55 55 GLN CD C 13 177.876 0.092 . 1 . . . . A 351 GLN CD . 31059 1 253 . 1 . 1 55 55 GLN N N 15 121.805 0.080 . 1 . . . . A 351 GLN N . 31059 1 254 . 1 . 1 56 56 SER C C 13 172.601 0.074 . 1 . . . . A 352 SER C . 31059 1 255 . 1 . 1 56 56 SER CA C 13 53.942 0.079 . 1 . . . . A 352 SER CA . 31059 1 256 . 1 . 1 56 56 SER CB C 13 63.316 0.071 . 1 . . . . A 352 SER CB . 31059 1 257 . 1 . 1 56 56 SER N N 15 117.874 0.092 . 1 . . . . A 352 SER N . 31059 1 258 . 1 . 1 57 57 LYS C C 13 172.212 0.061 . 1 . . . . A 353 LYS C . 31059 1 259 . 1 . 1 57 57 LYS CA C 13 53.473 0.058 . 1 . . . . A 353 LYS CA . 31059 1 260 . 1 . 1 57 57 LYS CB C 13 33.698 0.095 . 1 . . . . A 353 LYS CB . 31059 1 261 . 1 . 1 57 57 LYS CG C 13 23.680 0.073 . 1 . . . . A 353 LYS CG . 31059 1 262 . 1 . 1 57 57 LYS CD C 13 28.007 0.063 . 1 . . . . A 353 LYS CD . 31059 1 263 . 1 . 1 57 57 LYS CE C 13 40.825 0.096 . 1 . . . . A 353 LYS CE . 31059 1 264 . 1 . 1 57 57 LYS N N 15 132.695 0.100 . 1 . . . . A 353 LYS N . 31059 1 265 . 1 . 1 58 58 ILE C C 13 175.305 0.078 . 1 . . . . A 354 ILE C . 31059 1 266 . 1 . 1 58 58 ILE CA C 13 57.119 0.058 . 1 . . . . A 354 ILE CA . 31059 1 267 . 1 . 1 58 58 ILE CB C 13 40.767 0.063 . 1 . . . . A 354 ILE CB . 31059 1 268 . 1 . 1 58 58 ILE CG1 C 13 25.289 0.086 . 1 . . . . A 354 ILE CG1 . 31059 1 269 . 1 . 1 58 58 ILE CG2 C 13 15.918 0.047 . 1 . . . . A 354 ILE CG2 . 31059 1 270 . 1 . 1 58 58 ILE CD1 C 13 12.466 0.083 . 1 . . . . A 354 ILE CD1 . 31059 1 271 . 1 . 1 58 58 ILE N N 15 125.569 0.111 . 1 . . . . A 354 ILE N . 31059 1 272 . 1 . 1 59 59 GLY C C 13 171.720 0.021 . 1 . . . . A 355 GLY C . 31059 1 273 . 1 . 1 59 59 GLY CA C 13 46.692 0.120 . 1 . . . . A 355 GLY CA . 31059 1 274 . 1 . 1 59 59 GLY N N 15 118.634 0.120 . 1 . . . . A 355 GLY N . 31059 1 275 . 1 . 1 60 60 SER C C 13 169.213 0.039 . 1 . . . . A 356 SER C . 31059 1 276 . 1 . 1 60 60 SER CA C 13 54.361 0.095 . 1 . . . . A 356 SER CA . 31059 1 277 . 1 . 1 60 60 SER CB C 13 63.866 0.076 . 1 . . . . A 356 SER CB . 31059 1 278 . 1 . 1 60 60 SER N N 15 115.498 0.108 . 1 . . . . A 356 SER N . 31059 1 279 . 1 . 1 61 61 LEU CA C 13 52.295 0.041 . 1 . . . . A 357 LEU CA . 31059 1 280 . 1 . 1 61 61 LEU CB C 13 43.482 0.085 . 1 . . . . A 357 LEU CB . 31059 1 281 . 1 . 1 61 61 LEU CG C 13 27.375 0.075 . 1 . . . . A 357 LEU CG . 31059 1 282 . 1 . 1 61 61 LEU CD1 C 13 23.885 0.044 . 2 . . . . A 357 LEU CD1 . 31059 1 283 . 1 . 1 61 61 LEU CD2 C 13 22.791 0.054 . 2 . . . . A 357 LEU CD2 . 31059 1 284 . 1 . 1 61 61 LEU N N 15 129.010 0.216 . 1 . . . . A 357 LEU N . 31059 1 stop_ save_