################################### # 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 31267 _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 1H-15N HSQC' . . . 31267 1 2 '3D HNCACB' . . . 31267 1 3 '3D CBCA(CO)NH' . . . 31267 1 4 '3D HNCA' . . . 31267 1 5 '3D H(CCO)NH' . . . 31267 1 6 '2D 1H-15N HSQC' . . . 31267 1 7 '3D 1H-15N NOESY' . . . 31267 1 8 '3D 1H-15N TOCSY' . . . 31267 1 9 '2D 1H-13C HSQC' . . . 31267 1 10 '3D 1H-13C NOESY' . . . 31267 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 59 59 MET H H 1 8.7700 0.0000 . 1 . . . . A 57 MET H . 31267 1 2 . 1 . 1 59 59 MET HA H 1 4.5940 0.0000 . 1 . . . . A 57 MET HA . 31267 1 3 . 1 . 1 59 59 MET HB2 H 1 2.0770 0.0000 . 2 . . . . A 57 MET HB2 . 31267 1 4 . 1 . 1 59 59 MET HB3 H 1 1.9740 0.0000 . 2 . . . . A 57 MET HB3 . 31267 1 5 . 1 . 1 59 59 MET HG2 H 1 2.5980 0.0000 . 2 . . . . A 57 MET HG2 . 31267 1 6 . 1 . 1 59 59 MET HG3 H 1 2.5380 0.0000 . 2 . . . . A 57 MET HG3 . 31267 1 7 . 1 . 1 59 59 MET CA C 13 54.4617 0.0000 . 1 . . . . A 57 MET CA . 31267 1 8 . 1 . 1 59 59 MET CB C 13 33.8173 0.0000 . 1 . . . . A 57 MET CB . 31267 1 9 . 1 . 1 59 59 MET CG C 13 31.7190 0.0000 . 1 . . . . A 57 MET CG . 31267 1 10 . 1 . 1 59 59 MET N N 15 123.9740 0.0000 . 1 . . . . A 57 MET N . 31267 1 11 . 1 . 1 60 60 ASP H H 1 8.6720 0.0000 . 1 . . . . A 58 ASP H . 31267 1 12 . 1 . 1 60 60 ASP HA H 1 4.8400 0.0000 . 1 . . . . A 58 ASP HA . 31267 1 13 . 1 . 1 60 60 ASP HB2 H 1 2.7780 0.0000 . 2 . . . . A 58 ASP HB2 . 31267 1 14 . 1 . 1 60 60 ASP HB3 H 1 2.3420 0.0000 . 2 . . . . A 58 ASP HB3 . 31267 1 15 . 1 . 1 60 60 ASP CA C 13 52.5779 0.0000 . 1 . . . . A 58 ASP CA . 31267 1 16 . 1 . 1 60 60 ASP CB C 13 40.7221 0.0000 . 1 . . . . A 58 ASP CB . 31267 1 17 . 1 . 1 60 60 ASP N N 15 123.5860 0.0000 . 1 . . . . A 58 ASP N . 31267 1 18 . 1 . 1 61 61 PRO HA H 1 4.3660 0.0000 . 1 . . . . A 59 PRO HA . 31267 1 19 . 1 . 1 61 61 PRO HB2 H 1 2.2860 0.0000 . 2 . . . . A 59 PRO HB2 . 31267 1 20 . 1 . 1 61 61 PRO HB3 H 1 1.9710 0.0000 . 2 . . . . A 59 PRO HB3 . 31267 1 21 . 1 . 1 61 61 PRO HG2 H 1 2.0410 0.0000 . 2 . . . . A 59 PRO HG2 . 31267 1 22 . 1 . 1 61 61 PRO HG3 H 1 1.9210 0.0000 . 2 . . . . A 59 PRO HG3 . 31267 1 23 . 1 . 1 61 61 PRO HD2 H 1 3.7870 0.0000 . 2 . . . . A 59 PRO HD2 . 31267 1 24 . 1 . 1 61 61 PRO HD3 H 1 3.8320 0.0000 . 2 . . . . A 59 PRO HD3 . 31267 1 25 . 1 . 1 61 61 PRO CA C 13 63.0891 0.0000 . 1 . . . . A 59 PRO CA . 31267 1 26 . 1 . 1 61 61 PRO CB C 13 32.1853 0.0000 . 1 . . . . A 59 PRO CB . 31267 1 27 . 1 . 1 61 61 PRO CG C 13 27.0210 0.0000 . 1 . . . . A 59 PRO CG . 31267 1 28 . 1 . 1 61 61 PRO CD C 13 50.4270 0.0000 . 1 . . . . A 59 PRO CD . 31267 1 29 . 1 . 1 62 62 ASN H H 1 8.5660 0.0000 . 1 . . . . A 60 ASN H . 31267 1 30 . 1 . 1 62 62 ASN HA H 1 4.5980 0.0000 . 1 . . . . A 60 ASN HA . 31267 1 31 . 1 . 1 62 62 ASN HB2 H 1 2.7070 0.0000 . 2 . . . . A 60 ASN HB2 . 31267 1 32 . 1 . 1 62 62 ASN HB3 H 1 2.6822 0.0000 . 2 . . . . A 60 ASN HB3 . 31267 1 33 . 1 . 1 62 62 ASN HD21 H 1 7.7130 0.0000 . 2 . . . . A 60 ASN HD21 . 31267 1 34 . 1 . 1 62 62 ASN HD22 H 1 6.9810 0.0000 . 2 . . . . A 60 ASN HD22 . 31267 1 35 . 1 . 1 62 62 ASN CA C 13 53.2572 0.0000 . 1 . . . . A 60 ASN CA . 31267 1 36 . 1 . 1 62 62 ASN CB C 13 39.2097 0.0000 . 1 . . . . A 60 ASN CB . 31267 1 37 . 1 . 1 62 62 ASN N N 15 119.9270 0.0000 . 1 . . . . A 60 ASN N . 31267 1 38 . 1 . 1 62 62 ASN ND2 N 15 113.8200 0.0000 . 1 . . . . A 60 ASN ND2 . 31267 1 39 . 1 . 1 63 63 CYS H H 1 8.3130 0.0000 . 1 . . . . A 61 CYS H . 31267 1 40 . 1 . 1 63 63 CYS HA H 1 4.4010 0.0000 . 1 . . . . A 61 CYS HA . 31267 1 41 . 1 . 1 63 63 CYS HB2 H 1 3.1420 0.0000 . 2 . . . . A 61 CYS HB2 . 31267 1 42 . 1 . 1 63 63 CYS HB3 H 1 3.0710 0.0000 . 2 . . . . A 61 CYS HB3 . 31267 1 43 . 1 . 1 63 63 CYS CA C 13 59.8472 0.0000 . 1 . . . . A 61 CYS CA . 31267 1 44 . 1 . 1 63 63 CYS CB C 13 36.6027 0.0000 . 1 . . . . A 61 CYS CB . 31267 1 45 . 1 . 1 63 63 CYS N N 15 124.5500 0.0000 . 1 . . . . A 61 CYS N . 31267 1 46 . 1 . 1 64 64 SER H H 1 9.1140 0.0000 . 1 . . . . A 62 SER H . 31267 1 47 . 1 . 1 64 64 SER HA H 1 4.9240 0.0000 . 1 . . . . A 62 SER HA . 31267 1 48 . 1 . 1 64 64 SER HB2 H 1 4.0010 0.0000 . 2 . . . . A 62 SER HB2 . 31267 1 49 . 1 . 1 64 64 SER HB3 H 1 3.8850 0.0000 . 2 . . . . A 62 SER HB3 . 31267 1 50 . 1 . 1 64 64 SER CA C 13 57.3337 0.0000 . 1 . . . . A 62 SER CA . 31267 1 51 . 1 . 1 64 64 SER CB C 13 63.1239 0.0000 . 1 . . . . A 62 SER CB . 31267 1 52 . 1 . 1 64 64 SER N N 15 125.4140 0.0000 . 1 . . . . A 62 SER N . 31267 1 53 . 1 . 1 65 65 CYS H H 1 9.4890 0.0000 . 1 . . . . A 63 CYS H . 31267 1 54 . 1 . 1 65 65 CYS HA H 1 4.5930 0.0000 . 1 . . . . A 63 CYS HA . 31267 1 55 . 1 . 1 65 65 CYS HB2 H 1 3.3450 0.0000 . 2 . . . . A 63 CYS HB2 . 31267 1 56 . 1 . 1 65 65 CYS HB3 H 1 2.7420 0.0000 . 2 . . . . A 63 CYS HB3 . 31267 1 57 . 1 . 1 65 65 CYS CA C 13 61.6010 0.0000 . 1 . . . . A 63 CYS CA . 31267 1 58 . 1 . 1 65 65 CYS CB C 13 34.8097 0.0000 . 1 . . . . A 63 CYS CB . 31267 1 59 . 1 . 1 65 65 CYS N N 15 127.9040 0.0000 . 1 . . . . A 63 CYS N . 31267 1 60 . 1 . 1 66 66 ALA H H 1 8.4950 0.0000 . 1 . . . . A 64 ALA H . 31267 1 61 . 1 . 1 66 66 ALA HA H 1 4.2390 0.0000 . 1 . . . . A 64 ALA HA . 31267 1 62 . 1 . 1 66 66 ALA HB1 H 1 1.5660 0.0000 . 1 . . . . A 64 ALA HB1 . 31267 1 63 . 1 . 1 66 66 ALA HB2 H 1 1.5660 0.0000 . 1 . . . . A 64 ALA HB2 . 31267 1 64 . 1 . 1 66 66 ALA HB3 H 1 1.5660 0.0000 . 1 . . . . A 64 ALA HB3 . 31267 1 65 . 1 . 1 66 66 ALA CA C 13 60.9531 0.0000 . 1 . . . . A 64 ALA CA . 31267 1 66 . 1 . 1 66 66 ALA CB C 13 19.9200 0.0000 . 1 . . . . A 64 ALA CB . 31267 1 67 . 1 . 1 66 66 ALA N N 15 125.6380 0.0000 . 1 . . . . A 64 ALA N . 31267 1 68 . 1 . 1 67 67 THR H H 1 7.7650 0.0000 . 1 . . . . A 65 THR H . 31267 1 69 . 1 . 1 67 67 THR HA H 1 4.5960 0.0000 . 1 . . . . A 65 THR HA . 31267 1 70 . 1 . 1 67 67 THR HG21 H 1 1.1110 0.0000 . 1 . . . . A 65 THR HG21 . 31267 1 71 . 1 . 1 67 67 THR HG22 H 1 1.1110 0.0000 . 1 . . . . A 65 THR HG22 . 31267 1 72 . 1 . 1 67 67 THR HG23 H 1 1.1110 0.0000 . 1 . . . . A 65 THR HG23 . 31267 1 73 . 1 . 1 67 67 THR CA C 13 59.8950 0.0000 . 1 . . . . A 65 THR CA . 31267 1 74 . 1 . 1 67 67 THR CB C 13 68.1768 0.0000 . 1 . . . . A 65 THR CB . 31267 1 75 . 1 . 1 67 67 THR CG2 C 13 21.4620 0.0000 . 1 . . . . A 65 THR CG2 . 31267 1 76 . 1 . 1 67 67 THR N N 15 105.9880 0.0000 . 1 . . . . A 65 THR N . 31267 1 77 . 1 . 1 68 68 GLY H H 1 7.6180 0.0000 . 1 . . . . A 66 GLY H . 31267 1 78 . 1 . 1 68 68 GLY HA2 H 1 4.3630 0.0000 . 2 . . . . A 66 GLY HA2 . 31267 1 79 . 1 . 1 68 68 GLY HA3 H 1 3.7330 0.0000 . 2 . . . . A 66 GLY HA3 . 31267 1 80 . 1 . 1 68 68 GLY CA C 13 45.2896 0.0000 . 1 . . . . A 66 GLY CA . 31267 1 81 . 1 . 1 68 68 GLY N N 15 108.0870 0.0000 . 1 . . . . A 66 GLY N . 31267 1 82 . 1 . 1 69 69 GLY H H 1 7.8690 0.0000 . 1 . . . . A 67 GLY H . 31267 1 83 . 1 . 1 69 69 GLY HA2 H 1 4.1260 0.0000 . 2 . . . . A 67 GLY HA2 . 31267 1 84 . 1 . 1 69 69 GLY HA3 H 1 3.6500 0.0000 . 2 . . . . A 67 GLY HA3 . 31267 1 85 . 1 . 1 69 69 GLY CA C 13 43.9027 0.0000 . 1 . . . . A 67 GLY CA . 31267 1 86 . 1 . 1 69 69 GLY N N 15 109.1800 0.0000 . 1 . . . . A 67 GLY N . 31267 1 87 . 1 . 1 70 70 SER H H 1 8.3900 0.0000 . 1 . . . . A 68 SER H . 31267 1 88 . 1 . 1 70 70 SER HA H 1 4.2780 0.0000 . 1 . . . . A 68 SER HA . 31267 1 89 . 1 . 1 70 70 SER HB2 H 1 3.7610 0.0000 . 2 . . . . A 68 SER HB2 . 31267 1 90 . 1 . 1 70 70 SER HB3 H 1 3.6880 0.0000 . 2 . . . . A 68 SER HB3 . 31267 1 91 . 1 . 1 70 70 SER CA C 13 58.3918 0.0000 . 1 . . . . A 68 SER CA . 31267 1 92 . 1 . 1 70 70 SER CB C 13 63.2916 0.0000 . 1 . . . . A 68 SER CB . 31267 1 93 . 1 . 1 70 70 SER N N 15 115.3140 0.0000 . 1 . . . . A 68 SER N . 31267 1 94 . 1 . 1 71 71 CYS H H 1 8.8070 0.0000 . 1 . . . . A 69 CYS H . 31267 1 95 . 1 . 1 71 71 CYS HA H 1 5.3820 0.0000 . 1 . . . . A 69 CYS HA . 31267 1 96 . 1 . 1 71 71 CYS HB2 H 1 2.9510 0.0000 . 2 . . . . A 69 CYS HB2 . 31267 1 97 . 1 . 1 71 71 CYS HB3 H 1 2.7350 0.0000 . 2 . . . . A 69 CYS HB3 . 31267 1 98 . 1 . 1 71 71 CYS CA C 13 58.4470 0.0000 . 1 . . . . A 69 CYS CA . 31267 1 99 . 1 . 1 71 71 CYS CB C 13 34.9871 0.0000 . 1 . . . . A 69 CYS CB . 31267 1 100 . 1 . 1 71 71 CYS N N 15 126.5210 0.0000 . 1 . . . . A 69 CYS N . 31267 1 101 . 1 . 1 72 72 THR H H 1 7.8910 0.0000 . 1 . . . . A 70 THR H . 31267 1 102 . 1 . 1 72 72 THR HA H 1 4.5010 0.0000 . 1 . . . . A 70 THR HA . 31267 1 103 . 1 . 1 72 72 THR HB H 1 4.6610 0.0000 . 1 . . . . A 70 THR HB . 31267 1 104 . 1 . 1 72 72 THR HG21 H 1 1.1970 0.0000 . 1 . . . . A 70 THR HG21 . 31267 1 105 . 1 . 1 72 72 THR HG22 H 1 1.1970 0.0000 . 1 . . . . A 70 THR HG22 . 31267 1 106 . 1 . 1 72 72 THR HG23 H 1 1.1970 0.0000 . 1 . . . . A 70 THR HG23 . 31267 1 107 . 1 . 1 72 72 THR CA C 13 60.7162 0.0000 . 1 . . . . A 70 THR CA . 31267 1 108 . 1 . 1 72 72 THR CB C 13 68.4853 0.0000 . 1 . . . . A 70 THR CB . 31267 1 109 . 1 . 1 72 72 THR CG2 C 13 21.2630 0.0000 . 1 . . . . A 70 THR CG2 . 31267 1 110 . 1 . 1 72 72 THR N N 15 121.5910 0.0000 . 1 . . . . A 70 THR N . 31267 1 111 . 1 . 1 73 73 CYS H H 1 9.1960 0.0000 . 1 . . . . A 71 CYS H . 31267 1 112 . 1 . 1 73 73 CYS HA H 1 4.2210 0.0000 . 1 . . . . A 71 CYS HA . 31267 1 113 . 1 . 1 73 73 CYS HB2 H 1 3.1110 0.0000 . 2 . . . . A 71 CYS HB2 . 31267 1 114 . 1 . 1 73 73 CYS HB3 H 1 2.7260 0.0000 . 2 . . . . A 71 CYS HB3 . 31267 1 115 . 1 . 1 73 73 CYS CA C 13 61.0496 0.0000 . 1 . . . . A 71 CYS CA . 31267 1 116 . 1 . 1 73 73 CYS CB C 13 33.7861 0.0000 . 1 . . . . A 71 CYS CB . 31267 1 117 . 1 . 1 73 73 CYS N N 15 128.8870 0.0000 . 1 . . . . A 71 CYS N . 31267 1 118 . 1 . 1 74 74 THR H H 1 8.7130 0.0000 . 1 . . . . A 72 THR H . 31267 1 119 . 1 . 1 74 74 THR HA H 1 4.3350 0.0000 . 1 . . . . A 72 THR HA . 31267 1 120 . 1 . 1 74 74 THR HB H 1 4.3350 0.0000 . 1 . . . . A 72 THR HB . 31267 1 121 . 1 . 1 74 74 THR HG21 H 1 1.1470 0.0000 . 1 . . . . A 72 THR HG21 . 31267 1 122 . 1 . 1 74 74 THR HG22 H 1 1.1470 0.0000 . 1 . . . . A 72 THR HG22 . 31267 1 123 . 1 . 1 74 74 THR HG23 H 1 1.1470 0.0000 . 1 . . . . A 72 THR HG23 . 31267 1 124 . 1 . 1 74 74 THR CA C 13 61.1145 0.0000 . 1 . . . . A 72 THR CA . 31267 1 125 . 1 . 1 74 74 THR CB C 13 69.1953 0.0000 . 1 . . . . A 72 THR CB . 31267 1 126 . 1 . 1 74 74 THR CG2 C 13 21.3850 0.0000 . 1 . . . . A 72 THR CG2 . 31267 1 127 . 1 . 1 74 74 THR N N 15 115.4220 0.0000 . 1 . . . . A 72 THR N . 31267 1 128 . 1 . 1 75 75 GLY H H 1 8.5210 0.0000 . 1 . . . . A 73 GLY H . 31267 1 129 . 1 . 1 75 75 GLY HA2 H 1 4.1980 0.0000 . 2 . . . . A 73 GLY HA2 . 31267 1 130 . 1 . 1 75 75 GLY HA3 H 1 3.7240 0.0000 . 2 . . . . A 73 GLY HA3 . 31267 1 131 . 1 . 1 75 75 GLY CA C 13 45.6973 0.0000 . 1 . . . . A 73 GLY CA . 31267 1 132 . 1 . 1 75 75 GLY N N 15 111.6700 0.0000 . 1 . . . . A 73 GLY N . 31267 1 133 . 1 . 1 76 76 SER H H 1 7.9070 0.0000 . 1 . . . . A 74 SER H . 31267 1 134 . 1 . 1 76 76 SER HA H 1 4.4700 0.0000 . 1 . . . . A 74 SER HA . 31267 1 135 . 1 . 1 76 76 SER HB2 H 1 3.7870 0.0000 . 2 . . . . A 74 SER HB2 . 31267 1 136 . 1 . 1 76 76 SER HB3 H 1 3.6870 0.0000 . 2 . . . . A 74 SER HB3 . 31267 1 137 . 1 . 1 76 76 SER CA C 13 56.7756 0.0000 . 1 . . . . A 74 SER CA . 31267 1 138 . 1 . 1 76 76 SER CB C 13 63.5375 0.0000 . 1 . . . . A 74 SER CB . 31267 1 139 . 1 . 1 76 76 SER N N 15 116.3600 0.0000 . 1 . . . . A 74 SER N . 31267 1 140 . 1 . 1 77 77 CYS H H 1 8.3970 0.0000 . 1 . . . . A 75 CYS H . 31267 1 141 . 1 . 1 77 77 CYS HA H 1 4.6280 0.0000 . 1 . . . . A 75 CYS HA . 31267 1 142 . 1 . 1 77 77 CYS HB2 H 1 3.1320 0.0000 . 2 . . . . A 75 CYS HB2 . 31267 1 143 . 1 . 1 77 77 CYS HB3 H 1 2.8060 0.0000 . 2 . . . . A 75 CYS HB3 . 31267 1 144 . 1 . 1 77 77 CYS CA C 13 60.0873 0.0000 . 1 . . . . A 75 CYS CA . 31267 1 145 . 1 . 1 77 77 CYS CB C 13 36.2096 0.0000 . 1 . . . . A 75 CYS CB . 31267 1 146 . 1 . 1 77 77 CYS N N 15 124.4120 0.0000 . 1 . . . . A 75 CYS N . 31267 1 147 . 1 . 1 78 78 LYS H H 1 9.1120 0.0000 . 1 . . . . A 76 LYS H . 31267 1 148 . 1 . 1 78 78 LYS HA H 1 4.6320 0.0000 . 1 . . . . A 76 LYS HA . 31267 1 149 . 1 . 1 78 78 LYS HB2 H 1 2.0880 0.0000 . 2 . . . . A 76 LYS HB2 . 31267 1 150 . 1 . 1 78 78 LYS HB3 H 1 1.6320 0.0000 . 2 . . . . A 76 LYS HB3 . 31267 1 151 . 1 . 1 78 78 LYS HG2 H 1 1.4300 0.0000 . 2 . . . . A 76 LYS HG2 . 31267 1 152 . 1 . 1 78 78 LYS HG3 H 1 1.4300 0.0000 . 2 . . . . A 76 LYS HG3 . 31267 1 153 . 1 . 1 78 78 LYS HD2 H 1 1.6430 0.0000 . 2 . . . . A 76 LYS HD2 . 31267 1 154 . 1 . 1 78 78 LYS HD3 H 1 1.6430 0.0000 . 2 . . . . A 76 LYS HD3 . 31267 1 155 . 1 . 1 78 78 LYS HE2 H 1 2.9430 0.0000 . 2 . . . . A 76 LYS HE2 . 31267 1 156 . 1 . 1 78 78 LYS HE3 H 1 2.9430 0.0000 . 2 . . . . A 76 LYS HE3 . 31267 1 157 . 1 . 1 78 78 LYS CA C 13 54.7863 0.0000 . 1 . . . . A 76 LYS CA . 31267 1 158 . 1 . 1 78 78 LYS CB C 13 32.4782 0.0000 . 1 . . . . A 76 LYS CB . 31267 1 159 . 1 . 1 78 78 LYS CG C 13 24.4240 0.0000 . 1 . . . . A 76 LYS CG . 31267 1 160 . 1 . 1 78 78 LYS CD C 13 28.5800 0.0000 . 1 . . . . A 76 LYS CD . 31267 1 161 . 1 . 1 78 78 LYS N N 15 129.6690 0.0000 . 1 . . . . A 76 LYS N . 31267 1 162 . 1 . 1 79 79 CYS H H 1 8.7980 0.0000 . 1 . . . . A 77 CYS H . 31267 1 163 . 1 . 1 79 79 CYS HA H 1 3.9820 0.0000 . 1 . . . . A 77 CYS HA . 31267 1 164 . 1 . 1 79 79 CYS HB2 H 1 2.8980 0.0000 . 2 . . . . A 77 CYS HB2 . 31267 1 165 . 1 . 1 79 79 CYS HB3 H 1 2.7350 0.0000 . 2 . . . . A 77 CYS HB3 . 31267 1 166 . 1 . 1 79 79 CYS CA C 13 61.3836 0.0000 . 1 . . . . A 77 CYS CA . 31267 1 167 . 1 . 1 79 79 CYS CB C 13 35.1897 0.0000 . 1 . . . . A 77 CYS CB . 31267 1 168 . 1 . 1 79 79 CYS N N 15 124.6810 0.0000 . 1 . . . . A 77 CYS N . 31267 1 169 . 1 . 1 80 80 LYS H H 1 8.7840 0.0000 . 1 . . . . A 78 LYS H . 31267 1 170 . 1 . 1 80 80 LYS HA H 1 4.0020 0.0000 . 1 . . . . A 78 LYS HA . 31267 1 171 . 1 . 1 80 80 LYS HB2 H 1 1.8060 0.0000 . 2 . . . . A 78 LYS HB2 . 31267 1 172 . 1 . 1 80 80 LYS HB3 H 1 1.7900 0.0000 . 2 . . . . A 78 LYS HB3 . 31267 1 173 . 1 . 1 80 80 LYS HG2 H 1 1.4460 0.0000 . 2 . . . . A 78 LYS HG2 . 31267 1 174 . 1 . 1 80 80 LYS HG3 H 1 1.4460 0.0000 . 2 . . . . A 78 LYS HG3 . 31267 1 175 . 1 . 1 80 80 LYS HD2 H 1 1.5560 0.0000 . 2 . . . . A 78 LYS HD2 . 31267 1 176 . 1 . 1 80 80 LYS HD3 H 1 1.5560 0.0000 . 2 . . . . A 78 LYS HD3 . 31267 1 177 . 1 . 1 80 80 LYS HE2 H 1 3.0140 0.0000 . 2 . . . . A 78 LYS HE2 . 31267 1 178 . 1 . 1 80 80 LYS HE3 H 1 3.0140 0.0000 . 2 . . . . A 78 LYS HE3 . 31267 1 179 . 1 . 1 80 80 LYS CA C 13 58.4147 0.0000 . 1 . . . . A 78 LYS CA . 31267 1 180 . 1 . 1 80 80 LYS CB C 13 32.5158 0.0000 . 1 . . . . A 78 LYS CB . 31267 1 181 . 1 . 1 80 80 LYS CG C 13 25.1470 0.0000 . 1 . . . . A 78 LYS CG . 31267 1 182 . 1 . 1 80 80 LYS CD C 13 28.8490 0.0000 . 1 . . . . A 78 LYS CD . 31267 1 183 . 1 . 1 80 80 LYS N N 15 126.2880 0.0000 . 1 . . . . A 78 LYS N . 31267 1 184 . 1 . 1 81 81 GLU H H 1 8.3570 0.0000 . 1 . . . . A 79 GLU H . 31267 1 185 . 1 . 1 81 81 GLU HA H 1 4.3090 0.0000 . 1 . . . . A 79 GLU HA . 31267 1 186 . 1 . 1 81 81 GLU HB2 H 1 1.7380 0.0000 . 2 . . . . A 79 GLU HB2 . 31267 1 187 . 1 . 1 81 81 GLU HB3 H 1 1.9460 0.0000 . 2 . . . . A 79 GLU HB3 . 31267 1 188 . 1 . 1 81 81 GLU HG2 H 1 2.0540 0.0000 . 2 . . . . A 79 GLU HG2 . 31267 1 189 . 1 . 1 81 81 GLU HG3 H 1 2.0540 0.0000 . 2 . . . . A 79 GLU HG3 . 31267 1 190 . 1 . 1 81 81 GLU CA C 13 54.4320 0.0000 . 1 . . . . A 79 GLU CA . 31267 1 191 . 1 . 1 81 81 GLU CB C 13 29.8214 0.0000 . 1 . . . . A 79 GLU CB . 31267 1 192 . 1 . 1 81 81 GLU CG C 13 36.3130 0.0000 . 1 . . . . A 79 GLU CG . 31267 1 193 . 1 . 1 81 81 GLU N N 15 119.6300 0.0000 . 1 . . . . A 79 GLU N . 31267 1 194 . 1 . 1 82 82 CYS H H 1 7.6610 0.0000 . 1 . . . . A 80 CYS H . 31267 1 195 . 1 . 1 82 82 CYS HA H 1 4.4710 0.0000 . 1 . . . . A 80 CYS HA . 31267 1 196 . 1 . 1 82 82 CYS HB2 H 1 2.8800 0.0000 . 2 . . . . A 80 CYS HB2 . 31267 1 197 . 1 . 1 82 82 CYS HB3 H 1 2.8030 0.0000 . 2 . . . . A 80 CYS HB3 . 31267 1 198 . 1 . 1 82 82 CYS CA C 13 59.0521 0.0000 . 1 . . . . A 80 CYS CA . 31267 1 199 . 1 . 1 82 82 CYS CB C 13 35.7337 0.0000 . 1 . . . . A 80 CYS CB . 31267 1 200 . 1 . 1 82 82 CYS N N 15 120.9640 0.0000 . 1 . . . . A 80 CYS N . 31267 1 201 . 1 . 1 83 83 LYS H H 1 7.5500 0.0000 . 1 . . . . A 81 LYS H . 31267 1 202 . 1 . 1 83 83 LYS HA H 1 4.6100 0.0000 . 1 . . . . A 81 LYS HA . 31267 1 203 . 1 . 1 83 83 LYS HB2 H 1 2.1130 0.0000 . 2 . . . . A 81 LYS HB2 . 31267 1 204 . 1 . 1 83 83 LYS HB3 H 1 1.8770 0.0000 . 2 . . . . A 81 LYS HB3 . 31267 1 205 . 1 . 1 83 83 LYS HG2 H 1 1.4480 0.0000 . 2 . . . . A 81 LYS HG2 . 31267 1 206 . 1 . 1 83 83 LYS HG3 H 1 1.4480 0.0000 . 2 . . . . A 81 LYS HG3 . 31267 1 207 . 1 . 1 83 83 LYS HD2 H 1 1.6880 0.0000 . 2 . . . . A 81 LYS HD2 . 31267 1 208 . 1 . 1 83 83 LYS HD3 H 1 1.6880 0.0000 . 2 . . . . A 81 LYS HD3 . 31267 1 209 . 1 . 1 83 83 LYS HE2 H 1 2.9820 0.0000 . 2 . . . . A 81 LYS HE2 . 31267 1 210 . 1 . 1 83 83 LYS HE3 H 1 2.9820 0.0000 . 2 . . . . A 81 LYS HE3 . 31267 1 211 . 1 . 1 83 83 LYS CA C 13 55.2438 0.0000 . 1 . . . . A 81 LYS CA . 31267 1 212 . 1 . 1 83 83 LYS CB C 13 32.7861 0.0000 . 1 . . . . A 81 LYS CB . 31267 1 213 . 1 . 1 83 83 LYS CG C 13 25.3220 0.0000 . 1 . . . . A 81 LYS CG . 31267 1 214 . 1 . 1 83 83 LYS CD C 13 28.5690 0.0000 . 1 . . . . A 81 LYS CD . 31267 1 215 . 1 . 1 83 83 LYS CE C 13 42.4580 0.0000 . 1 . . . . A 81 LYS CE . 31267 1 216 . 1 . 1 83 83 LYS N N 15 131.7420 0.0000 . 1 . . . . A 81 LYS N . 31267 1 217 . 1 . 1 84 84 CYS H H 1 8.7290 0.0000 . 1 . . . . A 82 CYS H . 31267 1 218 . 1 . 1 84 84 CYS HA H 1 4.0390 0.0000 . 1 . . . . A 82 CYS HA . 31267 1 219 . 1 . 1 84 84 CYS HB2 H 1 3.0640 0.0000 . 2 . . . . A 82 CYS HB2 . 31267 1 220 . 1 . 1 84 84 CYS HB3 H 1 3.1680 0.0000 . 2 . . . . A 82 CYS HB3 . 31267 1 221 . 1 . 1 84 84 CYS CA C 13 60.6372 0.0000 . 1 . . . . A 82 CYS CA . 31267 1 222 . 1 . 1 84 84 CYS CB C 13 35.6515 0.0000 . 1 . . . . A 82 CYS CB . 31267 1 223 . 1 . 1 84 84 CYS N N 15 124.4570 0.0000 . 1 . . . . A 82 CYS N . 31267 1 224 . 1 . 1 85 85 THR H H 1 8.7420 0.0000 . 1 . . . . A 83 THR H . 31267 1 225 . 1 . 1 85 85 THR HA H 1 4.1010 0.0000 . 1 . . . . A 83 THR HA . 31267 1 226 . 1 . 1 85 85 THR HB H 1 4.1020 0.0000 . 1 . . . . A 83 THR HB . 31267 1 227 . 1 . 1 85 85 THR HG21 H 1 1.2350 0.0000 . 1 . . . . A 83 THR HG21 . 31267 1 228 . 1 . 1 85 85 THR HG22 H 1 1.2350 0.0000 . 1 . . . . A 83 THR HG22 . 31267 1 229 . 1 . 1 85 85 THR HG23 H 1 1.2350 0.0000 . 1 . . . . A 83 THR HG23 . 31267 1 230 . 1 . 1 85 85 THR CA C 13 64.6252 0.0000 . 1 . . . . A 83 THR CA . 31267 1 231 . 1 . 1 85 85 THR CB C 13 68.7826 0.0000 . 1 . . . . A 83 THR CB . 31267 1 232 . 1 . 1 85 85 THR CG2 C 13 22.1910 0.0000 . 1 . . . . A 83 THR CG2 . 31267 1 233 . 1 . 1 85 85 THR N N 15 118.1610 0.0000 . 1 . . . . A 83 THR N . 31267 1 234 . 1 . 1 86 86 SER H H 1 8.1500 0.0000 . 1 . . . . A 84 SER H . 31267 1 235 . 1 . 1 86 86 SER HA H 1 4.3930 0.0000 . 1 . . . . A 84 SER HA . 31267 1 236 . 1 . 1 86 86 SER HB2 H 1 3.6900 0.0000 . 2 . . . . A 84 SER HB2 . 31267 1 237 . 1 . 1 86 86 SER HB3 H 1 3.6290 0.0000 . 2 . . . . A 84 SER HB3 . 31267 1 238 . 1 . 1 86 86 SER CA C 13 57.0014 0.0000 . 1 . . . . A 84 SER CA . 31267 1 239 . 1 . 1 86 86 SER CB C 13 62.8956 0.0000 . 1 . . . . A 84 SER CB . 31267 1 240 . 1 . 1 86 86 SER N N 15 116.9290 0.0000 . 1 . . . . A 84 SER N . 31267 1 241 . 1 . 1 87 87 CYS H H 1 8.6200 0.0000 . 1 . . . . A 85 CYS H . 31267 1 242 . 1 . 1 87 87 CYS HA H 1 4.3060 0.0000 . 1 . . . . A 85 CYS HA . 31267 1 243 . 1 . 1 87 87 CYS HB2 H 1 3.0550 0.0000 . 2 . . . . A 85 CYS HB2 . 31267 1 244 . 1 . 1 87 87 CYS HB3 H 1 2.8090 0.0000 . 2 . . . . A 85 CYS HB3 . 31267 1 245 . 1 . 1 87 87 CYS CA C 13 60.7696 0.0000 . 1 . . . . A 85 CYS CA . 31267 1 246 . 1 . 1 87 87 CYS CB C 13 37.0768 0.0000 . 1 . . . . A 85 CYS CB . 31267 1 247 . 1 . 1 87 87 CYS N N 15 128.8400 0.0000 . 1 . . . . A 85 CYS N . 31267 1 248 . 1 . 1 88 88 LYS H H 1 8.4270 0.0000 . 1 . . . . A 86 LYS H . 31267 1 249 . 1 . 1 88 88 LYS HA H 1 4.2700 0.0000 . 1 . . . . A 86 LYS HA . 31267 1 250 . 1 . 1 88 88 LYS HB2 H 1 1.7460 0.0000 . 2 . . . . A 86 LYS HB2 . 31267 1 251 . 1 . 1 88 88 LYS HB3 H 1 1.7700 0.0000 . 2 . . . . A 86 LYS HB3 . 31267 1 252 . 1 . 1 88 88 LYS HG2 H 1 1.4470 0.0000 . 2 . . . . A 86 LYS HG2 . 31267 1 253 . 1 . 1 88 88 LYS HG3 H 1 1.4470 0.0000 . 2 . . . . A 86 LYS HG3 . 31267 1 254 . 1 . 1 88 88 LYS HD2 H 1 1.6700 0.0000 . 2 . . . . A 86 LYS HD2 . 31267 1 255 . 1 . 1 88 88 LYS HD3 H 1 1.6700 0.0000 . 2 . . . . A 86 LYS HD3 . 31267 1 256 . 1 . 1 88 88 LYS HE2 H 1 2.9830 0.0000 . 2 . . . . A 86 LYS HE2 . 31267 1 257 . 1 . 1 88 88 LYS HE3 H 1 2.9260 0.0000 . 2 . . . . A 86 LYS HE3 . 31267 1 258 . 1 . 1 88 88 LYS CA C 13 56.9487 0.0000 . 1 . . . . A 86 LYS CA . 31267 1 259 . 1 . 1 88 88 LYS CB C 13 32.4740 0.0000 . 1 . . . . A 86 LYS CB . 31267 1 260 . 1 . 1 88 88 LYS CG C 13 24.6710 0.0000 . 1 . . . . A 86 LYS CG . 31267 1 261 . 1 . 1 88 88 LYS CD C 13 29.2230 0.0000 . 1 . . . . A 86 LYS CD . 31267 1 262 . 1 . 1 88 88 LYS CE C 13 41.8500 0.0000 . 1 . . . . A 86 LYS CE . 31267 1 263 . 1 . 1 88 88 LYS N N 15 126.2090 0.0000 . 1 . . . . A 86 LYS N . 31267 1 264 . 1 . 1 89 89 LYS H H 1 8.4490 0.0000 . 1 . . . . A 87 LYS H . 31267 1 265 . 1 . 1 89 89 LYS HA H 1 4.5130 0.0000 . 1 . . . . A 87 LYS HA . 31267 1 266 . 1 . 1 89 89 LYS HB2 H 1 1.9440 0.0000 . 2 . . . . A 87 LYS HB2 . 31267 1 267 . 1 . 1 89 89 LYS HB3 H 1 1.7660 0.0000 . 2 . . . . A 87 LYS HB3 . 31267 1 268 . 1 . 1 89 89 LYS HG2 H 1 1.4700 0.0000 . 2 . . . . A 87 LYS HG2 . 31267 1 269 . 1 . 1 89 89 LYS HG3 H 1 1.4700 0.0000 . 2 . . . . A 87 LYS HG3 . 31267 1 270 . 1 . 1 89 89 LYS HD2 H 1 1.7460 0.0000 . 2 . . . . A 87 LYS HD2 . 31267 1 271 . 1 . 1 89 89 LYS HD3 H 1 1.7460 0.0000 . 2 . . . . A 87 LYS HD3 . 31267 1 272 . 1 . 1 89 89 LYS HE2 H 1 3.0580 0.0000 . 2 . . . . A 87 LYS HE2 . 31267 1 273 . 1 . 1 89 89 LYS HE3 H 1 3.0580 0.0000 . 2 . . . . A 87 LYS HE3 . 31267 1 274 . 1 . 1 89 89 LYS CA C 13 55.8880 0.0000 . 1 . . . . A 87 LYS CA . 31267 1 275 . 1 . 1 89 89 LYS CB C 13 33.6073 0.0000 . 1 . . . . A 87 LYS CB . 31267 1 276 . 1 . 1 89 89 LYS CG C 13 24.6500 0.0000 . 1 . . . . A 87 LYS CG . 31267 1 277 . 1 . 1 89 89 LYS CD C 13 28.9230 0.0000 . 1 . . . . A 87 LYS CD . 31267 1 278 . 1 . 1 89 89 LYS CE C 13 42.3910 0.0000 . 1 . . . . A 87 LYS CE . 31267 1 279 . 1 . 1 89 89 LYS N N 15 124.2670 0.0000 . 1 . . . . A 87 LYS N . 31267 1 280 . 1 . 1 90 90 SER H H 1 8.0560 0.0000 . 1 . . . . A 88 SER H . 31267 1 281 . 1 . 1 90 90 SER HA H 1 4.2250 0.0000 . 1 . . . . A 88 SER HA . 31267 1 282 . 1 . 1 90 90 SER HB2 H 1 3.8070 0.0000 . 2 . . . . A 88 SER HB2 . 31267 1 283 . 1 . 1 90 90 SER HB3 H 1 3.8070 0.0000 . 2 . . . . A 88 SER HB3 . 31267 1 284 . 1 . 1 90 90 SER CA C 13 60.0538 0.0000 . 1 . . . . A 88 SER CA . 31267 1 285 . 1 . 1 90 90 SER CB C 13 64.6769 0.0000 . 1 . . . . A 88 SER CB . 31267 1 286 . 1 . 1 90 90 SER N N 15 121.9340 0.0000 . 1 . . . . A 88 SER N . 31267 1 stop_ save_