################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18816 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18816 1 4 '3D HNCO' . . . 18816 1 5 '3D HNCA' . . . 18816 1 6 '3D HNCACB' . . . 18816 1 7 '3D C(CO)NH' . . . 18816 1 8 '3D CBCA(CO)NH' . . . 18816 1 9 '3D HCCH-TOCSY' . . . 18816 1 10 '3D HN(CO)CA' . . . 18816 1 15 '3D 1H-15N TOCSY' . . . 18816 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 THR HA H 1 3.883 0.003 . 1 . . . A 1103 THR HA . 18816 1 2 . 1 1 1 1 THR HB H 1 4.144 0.022 . 1 . . . A 1103 THR HB . 18816 1 3 . 1 1 1 1 THR HG21 H 1 1.276 0.024 . 1 . . . A 1103 THR HG21 . 18816 1 4 . 1 1 1 1 THR HG22 H 1 1.276 0.024 . 1 . . . A 1103 THR HG22 . 18816 1 5 . 1 1 1 1 THR HG23 H 1 1.276 0.024 . 1 . . . A 1103 THR HG23 . 18816 1 6 . 1 1 1 1 THR CA C 13 61.234 0.014 . 1 . . . A 1103 THR CA . 18816 1 7 . 1 1 1 1 THR CB C 13 69.103 0.043 . 1 . . . A 1103 THR CB . 18816 1 8 . 1 1 1 1 THR CG2 C 13 20.852 0.000 . 1 . . . A 1103 THR CG2 . 18816 1 9 . 1 1 2 2 HIS HA H 1 4.650 0.008 . 1 . . . A 1104 HIS HA . 18816 1 10 . 1 1 2 2 HIS HB2 H 1 3.103 0.035 . 1 . . . A 1104 HIS HB2 . 18816 1 11 . 1 1 2 2 HIS HB3 H 1 3.178 0.027 . 1 . . . A 1104 HIS HB3 . 18816 1 12 . 1 1 2 2 HIS HD2 H 1 7.153 0.014 . 1 . . . A 1104 HIS HD2 . 18816 1 13 . 1 1 2 2 HIS CA C 13 55.840 0.030 . 1 . . . A 1104 HIS CA . 18816 1 14 . 1 1 2 2 HIS CB C 13 30.489 0.076 . 1 . . . A 1104 HIS CB . 18816 1 15 . 1 1 2 2 HIS CD2 C 13 119.657 0.000 . 1 . . . A 1104 HIS CD2 . 18816 1 16 . 1 1 3 3 ALA H H 1 8.461 0.004 . 1 . . . A 1105 ALA H . 18816 1 17 . 1 1 3 3 ALA HA H 1 4.592 0.007 . 1 . . . A 1105 ALA HA . 18816 1 18 . 1 1 3 3 ALA HB1 H 1 1.341 0.009 . 1 . . . A 1105 ALA HB1 . 18816 1 19 . 1 1 3 3 ALA HB2 H 1 1.341 0.009 . 1 . . . A 1105 ALA HB2 . 18816 1 20 . 1 1 3 3 ALA HB3 H 1 1.341 0.009 . 1 . . . A 1105 ALA HB3 . 18816 1 21 . 1 1 3 3 ALA C C 13 175.151 0.000 . 1 . . . A 1105 ALA C . 18816 1 22 . 1 1 3 3 ALA CA C 13 50.538 0.033 . 1 . . . A 1105 ALA CA . 18816 1 23 . 1 1 3 3 ALA CB C 13 18.262 0.043 . 1 . . . A 1105 ALA CB . 18816 1 24 . 1 1 3 3 ALA N N 15 127.611 0.007 . 1 . . . A 1105 ALA N . 18816 1 25 . 1 1 4 4 PRO HA H 1 4.416 0.015 . 1 . . . A 1106 PRO HA . 18816 1 26 . 1 1 4 4 PRO HB2 H 1 2.258 0.012 . 1 . . . A 1106 PRO HB2 . 18816 1 27 . 1 1 4 4 PRO HB3 H 1 1.898 0.010 . 1 . . . A 1106 PRO HB3 . 18816 1 28 . 1 1 4 4 PRO HG2 H 1 1.938 0.024 . 1 . . . A 1106 PRO HG2 . 18816 1 29 . 1 1 4 4 PRO HG3 H 1 1.950 0.014 . 1 . . . A 1106 PRO HG3 . 18816 1 30 . 1 1 4 4 PRO HD2 H 1 3.601 0.012 . 1 . . . A 1106 PRO HD2 . 18816 1 31 . 1 1 4 4 PRO HD3 H 1 3.736 0.022 . 1 . . . A 1106 PRO HD3 . 18816 1 32 . 1 1 4 4 PRO C C 13 176.392 0.000 . 1 . . . A 1106 PRO C . 18816 1 33 . 1 1 4 4 PRO CA C 13 62.876 0.026 . 1 . . . A 1106 PRO CA . 18816 1 34 . 1 1 4 4 PRO CB C 13 32.106 0.011 . 1 . . . A 1106 PRO CB . 18816 1 35 . 1 1 4 4 PRO CG C 13 27.380 0.023 . 1 . . . A 1106 PRO CG . 18816 1 36 . 1 1 4 4 PRO CD C 13 50.426 0.030 . 1 . . . A 1106 PRO CD . 18816 1 37 . 1 1 5 5 ALA H H 1 8.423 0.003 . 1 . . . A 1107 ALA H . 18816 1 38 . 1 1 5 5 ALA HA H 1 4.327 0.012 . 1 . . . A 1107 ALA HA . 18816 1 39 . 1 1 5 5 ALA HB1 H 1 1.400 0.011 . 1 . . . A 1107 ALA HB1 . 18816 1 40 . 1 1 5 5 ALA HB2 H 1 1.400 0.011 . 1 . . . A 1107 ALA HB2 . 18816 1 41 . 1 1 5 5 ALA HB3 H 1 1.400 0.011 . 1 . . . A 1107 ALA HB3 . 18816 1 42 . 1 1 5 5 ALA C C 13 177.560 0.032 . 1 . . . A 1107 ALA C . 18816 1 43 . 1 1 5 5 ALA CA C 13 52.423 0.044 . 1 . . . A 1107 ALA CA . 18816 1 44 . 1 1 5 5 ALA CB C 13 19.425 0.035 . 1 . . . A 1107 ALA CB . 18816 1 45 . 1 1 5 5 ALA N N 15 124.531 0.061 . 1 . . . A 1107 ALA N . 18816 1 46 . 1 1 6 6 SER H H 1 8.245 0.003 . 1 . . . A 1108 SER H . 18816 1 47 . 1 1 6 6 SER HA H 1 4.482 0.011 . 1 . . . A 1108 SER HA . 18816 1 48 . 1 1 6 6 SER HB2 H 1 3.832 0.009 . 1 . . . A 1108 SER HB2 . 18816 1 49 . 1 1 6 6 SER HB3 H 1 3.878 0.022 . 1 . . . A 1108 SER HB3 . 18816 1 50 . 1 1 6 6 SER C C 13 174.219 0.020 . 1 . . . A 1108 SER C . 18816 1 51 . 1 1 6 6 SER CA C 13 58.308 0.025 . 1 . . . A 1108 SER CA . 18816 1 52 . 1 1 6 6 SER CB C 13 64.274 0.037 . 1 . . . A 1108 SER CB . 18816 1 53 . 1 1 6 6 SER N N 15 115.092 0.013 . 1 . . . A 1108 SER N . 18816 1 54 . 1 1 7 7 CYS H H 1 8.456 0.004 . 1 . . . A 1109 CYS H . 18816 1 55 . 1 1 7 7 CYS HA H 1 4.911 0.009 . 1 . . . A 1109 CYS HA . 18816 1 56 . 1 1 7 7 CYS HB2 H 1 2.535 0.005 . 1 . . . A 1109 CYS HB2 . 18816 1 57 . 1 1 7 7 CYS HB3 H 1 3.136 0.009 . 1 . . . A 1109 CYS HB3 . 18816 1 58 . 1 1 7 7 CYS C C 13 175.594 0.010 . 1 . . . A 1109 CYS C . 18816 1 59 . 1 1 7 7 CYS CA C 13 52.983 0.022 . 1 . . . A 1109 CYS CA . 18816 1 60 . 1 1 7 7 CYS CB C 13 36.292 0.017 . 1 . . . A 1109 CYS CB . 18816 1 61 . 1 1 7 7 CYS N N 15 120.100 0.055 . 1 . . . A 1109 CYS N . 18816 1 62 . 1 1 8 8 LEU H H 1 8.382 0.003 . 1 . . . A 1110 LEU H . 18816 1 63 . 1 1 8 8 LEU HA H 1 4.425 0.007 . 1 . . . A 1110 LEU HA . 18816 1 64 . 1 1 8 8 LEU HB2 H 1 1.476 0.010 . 1 . . . A 1110 LEU HB2 . 18816 1 65 . 1 1 8 8 LEU HB3 H 1 1.691 0.009 . 1 . . . A 1110 LEU HB3 . 18816 1 66 . 1 1 8 8 LEU HG H 1 1.694 0.006 . 1 . . . A 1110 LEU HG . 18816 1 67 . 1 1 8 8 LEU HD11 H 1 0.851 0.011 . 1 . . . A 1110 LEU HD11 . 18816 1 68 . 1 1 8 8 LEU HD12 H 1 0.851 0.011 . 1 . . . A 1110 LEU HD12 . 18816 1 69 . 1 1 8 8 LEU HD13 H 1 0.851 0.011 . 1 . . . A 1110 LEU HD13 . 18816 1 70 . 1 1 8 8 LEU HD21 H 1 0.907 0.011 . 1 . . . A 1110 LEU HD21 . 18816 1 71 . 1 1 8 8 LEU HD22 H 1 0.907 0.011 . 1 . . . A 1110 LEU HD22 . 18816 1 72 . 1 1 8 8 LEU HD23 H 1 0.907 0.011 . 1 . . . A 1110 LEU HD23 . 18816 1 73 . 1 1 8 8 LEU C C 13 178.738 0.006 . 1 . . . A 1110 LEU C . 18816 1 74 . 1 1 8 8 LEU CA C 13 54.912 0.023 . 1 . . . A 1110 LEU CA . 18816 1 75 . 1 1 8 8 LEU CB C 13 43.342 0.016 . 1 . . . A 1110 LEU CB . 18816 1 76 . 1 1 8 8 LEU CG C 13 27.240 0.024 . 1 . . . A 1110 LEU CG . 18816 1 77 . 1 1 8 8 LEU CD1 C 13 25.261 0.099 . 1 . . . A 1110 LEU CD1 . 18816 1 78 . 1 1 8 8 LEU CD2 C 13 21.980 0.129 . 1 . . . A 1110 LEU CD2 . 18816 1 79 . 1 1 8 8 LEU N N 15 120.840 0.018 . 1 . . . A 1110 LEU N . 18816 1 80 . 1 1 9 9 ASP H H 1 8.846 0.004 . 1 . . . A 1111 ASP H . 18816 1 81 . 1 1 9 9 ASP HA H 1 4.457 0.009 . 1 . . . A 1111 ASP HA . 18816 1 82 . 1 1 9 9 ASP HB2 H 1 2.772 0.010 . 1 . . . A 1111 ASP HB2 . 18816 1 83 . 1 1 9 9 ASP HB3 H 1 2.776 0.006 . 1 . . . A 1111 ASP HB3 . 18816 1 84 . 1 1 9 9 ASP C C 13 176.752 0.001 . 1 . . . A 1111 ASP C . 18816 1 85 . 1 1 9 9 ASP CA C 13 56.796 0.028 . 1 . . . A 1111 ASP CA . 18816 1 86 . 1 1 9 9 ASP CB C 13 40.257 0.016 . 1 . . . A 1111 ASP CB . 18816 1 87 . 1 1 9 9 ASP N N 15 119.941 0.009 . 1 . . . A 1111 ASP N . 18816 1 88 . 1 1 10 10 THR H H 1 7.033 0.004 . 1 . . . A 1112 THR H . 18816 1 89 . 1 1 10 10 THR HA H 1 4.279 0.008 . 1 . . . A 1112 THR HA . 18816 1 90 . 1 1 10 10 THR HB H 1 4.531 0.005 . 1 . . . A 1112 THR HB . 18816 1 91 . 1 1 10 10 THR HG21 H 1 1.256 0.006 . 1 . . . A 1112 THR HG21 . 18816 1 92 . 1 1 10 10 THR HG22 H 1 1.256 0.006 . 1 . . . A 1112 THR HG22 . 18816 1 93 . 1 1 10 10 THR HG23 H 1 1.256 0.006 . 1 . . . A 1112 THR HG23 . 18816 1 94 . 1 1 10 10 THR C C 13 174.706 0.029 . 1 . . . A 1112 THR C . 18816 1 95 . 1 1 10 10 THR CA C 13 61.133 0.017 . 1 . . . A 1112 THR CA . 18816 1 96 . 1 1 10 10 THR CB C 13 68.731 0.014 . 1 . . . A 1112 THR CB . 18816 1 97 . 1 1 10 10 THR CG2 C 13 22.203 0.113 . 1 . . . A 1112 THR CG2 . 18816 1 98 . 1 1 10 10 THR N N 15 104.756 0.098 . 1 . . . A 1112 THR N . 18816 1 99 . 1 1 11 11 GLN H H 1 7.884 0.004 . 1 . . . A 1113 GLN H . 18816 1 100 . 1 1 11 11 GLN HA H 1 4.768 0.011 . 1 . . . A 1113 GLN HA . 18816 1 101 . 1 1 11 11 GLN HB2 H 1 1.875 0.008 . 1 . . . A 1113 GLN HB2 . 18816 1 102 . 1 1 11 11 GLN HB3 H 1 2.298 0.021 . 1 . . . A 1113 GLN HB3 . 18816 1 103 . 1 1 11 11 GLN HG2 H 1 2.207 0.010 . 1 . . . A 1113 GLN HG2 . 18816 1 104 . 1 1 11 11 GLN HG3 H 1 2.007 0.008 . 1 . . . A 1113 GLN HG3 . 18816 1 105 . 1 1 11 11 GLN HE21 H 1 7.678 0.002 . 1 . . . A 1113 GLN HE21 . 18816 1 106 . 1 1 11 11 GLN HE22 H 1 6.660 0.003 . 1 . . . A 1113 GLN HE22 . 18816 1 107 . 1 1 11 11 GLN C C 13 174.007 0.001 . 1 . . . A 1113 GLN C . 18816 1 108 . 1 1 11 11 GLN CA C 13 54.747 0.109 . 1 . . . A 1113 GLN CA . 18816 1 109 . 1 1 11 11 GLN CB C 13 32.110 0.004 . 1 . . . A 1113 GLN CB . 18816 1 110 . 1 1 11 11 GLN CG C 13 34.499 0.007 . 1 . . . A 1113 GLN CG . 18816 1 111 . 1 1 11 11 GLN N N 15 120.554 0.028 . 1 . . . A 1113 GLN N . 18816 1 112 . 1 1 11 11 GLN NE2 N 15 113.116 0.006 . 1 . . . A 1113 GLN NE2 . 18816 1 113 . 1 1 12 12 TYR H H 1 9.264 0.004 . 1 . . . A 1114 TYR H . 18816 1 114 . 1 1 12 12 TYR HA H 1 4.626 0.010 . 1 . . . A 1114 TYR HA . 18816 1 115 . 1 1 12 12 TYR HB2 H 1 2.570 0.011 . 1 . . . A 1114 TYR HB2 . 18816 1 116 . 1 1 12 12 TYR HB3 H 1 2.640 0.010 . 1 . . . A 1114 TYR HB3 . 18816 1 117 . 1 1 12 12 TYR HD1 H 1 6.971 0.009 . 1 . . . A 1114 TYR HD1 . 18816 1 118 . 1 1 12 12 TYR HD2 H 1 6.971 0.009 . 1 . . . A 1114 TYR HD2 . 18816 1 119 . 1 1 12 12 TYR HE1 H 1 6.759 0.014 . 1 . . . A 1114 TYR HE1 . 18816 1 120 . 1 1 12 12 TYR HE2 H 1 6.759 0.014 . 1 . . . A 1114 TYR HE2 . 18816 1 121 . 1 1 12 12 TYR C C 13 174.084 0.032 . 1 . . . A 1114 TYR C . 18816 1 122 . 1 1 12 12 TYR CA C 13 56.671 0.015 . 1 . . . A 1114 TYR CA . 18816 1 123 . 1 1 12 12 TYR CB C 13 41.321 0.018 . 1 . . . A 1114 TYR CB . 18816 1 124 . 1 1 12 12 TYR CD1 C 13 133.406 0.000 . 1 . . . A 1114 TYR CD1 . 18816 1 125 . 1 1 12 12 TYR CD2 C 13 133.406 0.000 . 1 . . . A 1114 TYR CD2 . 18816 1 126 . 1 1 12 12 TYR CE1 C 13 118.533 0.000 . 1 . . . A 1114 TYR CE1 . 18816 1 127 . 1 1 12 12 TYR CE2 C 13 118.533 0.000 . 1 . . . A 1114 TYR CE2 . 18816 1 128 . 1 1 12 12 TYR N N 15 122.637 0.042 . 1 . . . A 1114 TYR N . 18816 1 129 . 1 1 13 13 THR H H 1 7.521 0.003 . 1 . . . A 1115 THR H . 18816 1 130 . 1 1 13 13 THR HA H 1 4.623 0.009 . 1 . . . A 1115 THR HA . 18816 1 131 . 1 1 13 13 THR HB H 1 3.767 0.009 . 1 . . . A 1115 THR HB . 18816 1 132 . 1 1 13 13 THR HG21 H 1 1.125 0.009 . 1 . . . A 1115 THR HG21 . 18816 1 133 . 1 1 13 13 THR HG22 H 1 1.125 0.009 . 1 . . . A 1115 THR HG22 . 18816 1 134 . 1 1 13 13 THR HG23 H 1 1.125 0.009 . 1 . . . A 1115 THR HG23 . 18816 1 135 . 1 1 13 13 THR C C 13 173.489 0.037 . 1 . . . A 1115 THR C . 18816 1 136 . 1 1 13 13 THR CA C 13 61.609 0.016 . 1 . . . A 1115 THR CA . 18816 1 137 . 1 1 13 13 THR CB C 13 68.719 0.094 . 1 . . . A 1115 THR CB . 18816 1 138 . 1 1 13 13 THR CG2 C 13 20.645 0.030 . 1 . . . A 1115 THR CG2 . 18816 1 139 . 1 1 13 13 THR N N 15 123.073 0.050 . 1 . . . A 1115 THR N . 18816 1 140 . 1 1 14 14 CYS H H 1 8.809 0.005 . 1 . . . A 1116 CYS H . 18816 1 141 . 1 1 14 14 CYS HA H 1 4.500 0.017 . 1 . . . A 1116 CYS HA . 18816 1 142 . 1 1 14 14 CYS HB2 H 1 3.042 0.008 . 1 . . . A 1116 CYS HB2 . 18816 1 143 . 1 1 14 14 CYS HB3 H 1 3.371 0.013 . 1 . . . A 1116 CYS HB3 . 18816 1 144 . 1 1 14 14 CYS C C 13 176.457 0.025 . 1 . . . A 1116 CYS C . 18816 1 145 . 1 1 14 14 CYS CA C 13 55.624 0.024 . 1 . . . A 1116 CYS CA . 18816 1 146 . 1 1 14 14 CYS CB C 13 42.336 0.039 . 1 . . . A 1116 CYS CB . 18816 1 147 . 1 1 14 14 CYS N N 15 127.037 0.037 . 1 . . . A 1116 CYS N . 18816 1 148 . 1 1 15 15 ASP H H 1 9.567 0.003 . 1 . . . A 1117 ASP H . 18816 1 149 . 1 1 15 15 ASP HA H 1 4.275 0.007 . 1 . . . A 1117 ASP HA . 18816 1 150 . 1 1 15 15 ASP HB2 H 1 3.035 0.008 . 1 . . . A 1117 ASP HB2 . 18816 1 151 . 1 1 15 15 ASP HB3 H 1 2.619 0.011 . 1 . . . A 1117 ASP HB3 . 18816 1 152 . 1 1 15 15 ASP C C 13 176.938 0.012 . 1 . . . A 1117 ASP C . 18816 1 153 . 1 1 15 15 ASP CA C 13 57.876 0.019 . 1 . . . A 1117 ASP CA . 18816 1 154 . 1 1 15 15 ASP CB C 13 38.830 0.026 . 1 . . . A 1117 ASP CB . 18816 1 155 . 1 1 15 15 ASP N N 15 127.060 0.028 . 1 . . . A 1117 ASP N . 18816 1 156 . 1 1 16 16 ASN H H 1 7.429 0.009 . 1 . . . A 1118 ASN H . 18816 1 157 . 1 1 16 16 ASN HA H 1 4.381 0.010 . 1 . . . A 1118 ASN HA . 18816 1 158 . 1 1 16 16 ASN HB2 H 1 3.282 0.007 . 1 . . . A 1118 ASN HB2 . 18816 1 159 . 1 1 16 16 ASN HB3 H 1 2.766 0.011 . 1 . . . A 1118 ASN HB3 . 18816 1 160 . 1 1 16 16 ASN HD21 H 1 6.868 0.004 . 1 . . . A 1118 ASN HD21 . 18816 1 161 . 1 1 16 16 ASN HD22 H 1 7.518 0.002 . 1 . . . A 1118 ASN HD22 . 18816 1 162 . 1 1 16 16 ASN CA C 13 52.475 0.030 . 1 . . . A 1118 ASN CA . 18816 1 163 . 1 1 16 16 ASN CB C 13 36.911 0.006 . 1 . . . A 1118 ASN CB . 18816 1 164 . 1 1 16 16 ASN N N 15 115.951 0.035 . 1 . . . A 1118 ASN N . 18816 1 165 . 1 1 16 16 ASN ND2 N 15 106.131 0.031 . 1 . . . A 1118 ASN ND2 . 18816 1 166 . 1 1 17 17 HIS H H 1 7.996 0.007 . 1 . . . A 1119 HIS H . 18816 1 167 . 1 1 17 17 HIS HA H 1 3.833 0.022 . 1 . . . A 1119 HIS HA . 18816 1 168 . 1 1 17 17 HIS HB2 H 1 3.721 0.020 . 1 . . . A 1119 HIS HB2 . 18816 1 169 . 1 1 17 17 HIS HB3 H 1 3.419 0.024 . 1 . . . A 1119 HIS HB3 . 18816 1 170 . 1 1 17 17 HIS HD2 H 1 7.211 0.010 . 1 . . . A 1119 HIS HD2 . 18816 1 171 . 1 1 17 17 HIS CA C 13 58.201 0.050 . 1 . . . A 1119 HIS CA . 18816 1 172 . 1 1 17 17 HIS CB C 13 26.103 0.057 . 1 . . . A 1119 HIS CB . 18816 1 173 . 1 1 17 17 HIS N N 15 109.912 0.025 . 1 . . . A 1119 HIS N . 18816 1 174 . 1 1 18 18 GLN H H 1 7.687 0.005 . 1 . . . A 1120 GLN H . 18816 1 175 . 1 1 18 18 GLN HA H 1 4.335 0.008 . 1 . . . A 1120 GLN HA . 18816 1 176 . 1 1 18 18 GLN HB2 H 1 2.279 0.016 . 1 . . . A 1120 GLN HB2 . 18816 1 177 . 1 1 18 18 GLN HB3 H 1 2.231 0.004 . 1 . . . A 1120 GLN HB3 . 18816 1 178 . 1 1 18 18 GLN HG2 H 1 2.471 0.006 . 1 . . . A 1120 GLN HG2 . 18816 1 179 . 1 1 18 18 GLN HG3 H 1 2.312 0.009 . 1 . . . A 1120 GLN HG3 . 18816 1 180 . 1 1 18 18 GLN C C 13 173.997 0.013 . 1 . . . A 1120 GLN C . 18816 1 181 . 1 1 18 18 GLN CA C 13 56.820 0.024 . 1 . . . A 1120 GLN CA . 18816 1 182 . 1 1 18 18 GLN CB C 13 29.379 0.040 . 1 . . . A 1120 GLN CB . 18816 1 183 . 1 1 18 18 GLN CG C 13 34.447 0.015 . 1 . . . A 1120 GLN CG . 18816 1 184 . 1 1 18 18 GLN N N 15 118.131 0.009 . 1 . . . A 1120 GLN N . 18816 1 185 . 1 1 19 19 CYS H H 1 8.522 0.003 . 1 . . . A 1121 CYS H . 18816 1 186 . 1 1 19 19 CYS HA H 1 5.648 0.011 . 1 . . . A 1121 CYS HA . 18816 1 187 . 1 1 19 19 CYS HB2 H 1 2.722 0.013 . 1 . . . A 1121 CYS HB2 . 18816 1 188 . 1 1 19 19 CYS HB3 H 1 2.658 0.009 . 1 . . . A 1121 CYS HB3 . 18816 1 189 . 1 1 19 19 CYS C C 13 175.751 0.005 . 1 . . . A 1121 CYS C . 18816 1 190 . 1 1 19 19 CYS CA C 13 53.116 0.052 . 1 . . . A 1121 CYS CA . 18816 1 191 . 1 1 19 19 CYS CB C 13 40.916 0.036 . 1 . . . A 1121 CYS CB . 18816 1 192 . 1 1 19 19 CYS N N 15 119.904 0.018 . 1 . . . A 1121 CYS N . 18816 1 193 . 1 1 20 20 ILE H H 1 8.662 0.004 . 1 . . . A 1122 ILE H . 18816 1 194 . 1 1 20 20 ILE HA H 1 4.917 0.012 . 1 . . . A 1122 ILE HA . 18816 1 195 . 1 1 20 20 ILE HB H 1 2.159 0.012 . 1 . . . A 1122 ILE HB . 18816 1 196 . 1 1 20 20 ILE HG12 H 1 1.537 0.010 . 1 . . . A 1122 ILE HG12 . 18816 1 197 . 1 1 20 20 ILE HG13 H 1 1.255 0.013 . 1 . . . A 1122 ILE HG13 . 18816 1 198 . 1 1 20 20 ILE HG21 H 1 0.999 0.015 . 1 . . . A 1122 ILE HG21 . 18816 1 199 . 1 1 20 20 ILE HG22 H 1 0.999 0.015 . 1 . . . A 1122 ILE HG22 . 18816 1 200 . 1 1 20 20 ILE HG23 H 1 0.999 0.015 . 1 . . . A 1122 ILE HG23 . 18816 1 201 . 1 1 20 20 ILE HD11 H 1 1.075 0.005 . 1 . . . A 1122 ILE HD11 . 18816 1 202 . 1 1 20 20 ILE HD12 H 1 1.075 0.005 . 1 . . . A 1122 ILE HD12 . 18816 1 203 . 1 1 20 20 ILE HD13 H 1 1.075 0.005 . 1 . . . A 1122 ILE HD13 . 18816 1 204 . 1 1 20 20 ILE C C 13 174.986 0.000 . 1 . . . A 1122 ILE C . 18816 1 205 . 1 1 20 20 ILE CA C 13 58.928 0.040 . 1 . . . A 1122 ILE CA . 18816 1 206 . 1 1 20 20 ILE CB C 13 44.320 0.030 . 1 . . . A 1122 ILE CB . 18816 1 207 . 1 1 20 20 ILE CG1 C 13 25.970 0.015 . 1 . . . A 1122 ILE CG1 . 18816 1 208 . 1 1 20 20 ILE CG2 C 13 17.058 0.032 . 1 . . . A 1122 ILE CG2 . 18816 1 209 . 1 1 20 20 ILE CD1 C 13 17.048 0.016 . 1 . . . A 1122 ILE CD1 . 18816 1 210 . 1 1 20 20 ILE N N 15 115.211 0.009 . 1 . . . A 1122 ILE N . 18816 1 211 . 1 1 21 21 SER H H 1 6.874 0.005 . 1 . . . A 1123 SER H . 18816 1 212 . 1 1 21 21 SER HA H 1 4.103 0.010 . 1 . . . A 1123 SER HA . 18816 1 213 . 1 1 21 21 SER HB2 H 1 2.209 0.006 . 1 . . . A 1123 SER HB2 . 18816 1 214 . 1 1 21 21 SER HB3 H 1 3.021 0.012 . 1 . . . A 1123 SER HB3 . 18816 1 215 . 1 1 21 21 SER C C 13 176.715 0.000 . 1 . . . A 1123 SER C . 18816 1 216 . 1 1 21 21 SER CA C 13 58.375 0.021 . 1 . . . A 1123 SER CA . 18816 1 217 . 1 1 21 21 SER CB C 13 62.435 0.016 . 1 . . . A 1123 SER CB . 18816 1 218 . 1 1 21 21 SER N N 15 114.626 0.013 . 1 . . . A 1123 SER N . 18816 1 219 . 1 1 22 22 LYS H H 1 8.459 0.004 . 1 . . . A 1124 LYS H . 18816 1 220 . 1 1 22 22 LYS HA H 1 3.926 0.009 . 1 . . . A 1124 LYS HA . 18816 1 221 . 1 1 22 22 LYS HB2 H 1 1.823 0.005 . 1 . . . A 1124 LYS HB2 . 18816 1 222 . 1 1 22 22 LYS HB3 H 1 1.716 0.007 . 1 . . . A 1124 LYS HB3 . 18816 1 223 . 1 1 22 22 LYS HG3 H 1 1.380 0.007 . 1 . . . A 1124 LYS HG3 . 18816 1 224 . 1 1 22 22 LYS HD3 H 1 1.640 0.007 . 1 . . . A 1124 LYS HD3 . 18816 1 225 . 1 1 22 22 LYS HE3 H 1 2.940 0.008 . 1 . . . A 1124 LYS HE3 . 18816 1 226 . 1 1 22 22 LYS C C 13 178.090 0.008 . 1 . . . A 1124 LYS C . 18816 1 227 . 1 1 22 22 LYS CA C 13 59.936 0.028 . 1 . . . A 1124 LYS CA . 18816 1 228 . 1 1 22 22 LYS CB C 13 32.436 0.019 . 1 . . . A 1124 LYS CB . 18816 1 229 . 1 1 22 22 LYS CG C 13 26.889 0.038 . 1 . . . A 1124 LYS CG . 18816 1 230 . 1 1 22 22 LYS CD C 13 29.542 0.015 . 1 . . . A 1124 LYS CD . 18816 1 231 . 1 1 22 22 LYS CE C 13 41.889 0.041 . 1 . . . A 1124 LYS CE . 18816 1 232 . 1 1 22 22 LYS N N 15 126.059 0.040 . 1 . . . A 1124 LYS N . 18816 1 233 . 1 1 23 23 ASN H H 1 8.161 0.005 . 1 . . . A 1125 ASN H . 18816 1 234 . 1 1 23 23 ASN HA H 1 4.534 0.015 . 1 . . . A 1125 ASN HA . 18816 1 235 . 1 1 23 23 ASN HB2 H 1 2.785 0.010 . 1 . . . A 1125 ASN HB2 . 18816 1 236 . 1 1 23 23 ASN HB3 H 1 2.470 0.010 . 1 . . . A 1125 ASN HB3 . 18816 1 237 . 1 1 23 23 ASN HD21 H 1 7.455 0.004 . 1 . . . A 1125 ASN HD21 . 18816 1 238 . 1 1 23 23 ASN HD22 H 1 6.903 0.003 . 1 . . . A 1125 ASN HD22 . 18816 1 239 . 1 1 23 23 ASN C C 13 175.454 0.031 . 1 . . . A 1125 ASN C . 18816 1 240 . 1 1 23 23 ASN CA C 13 54.686 0.039 . 1 . . . A 1125 ASN CA . 18816 1 241 . 1 1 23 23 ASN CB C 13 37.288 0.018 . 1 . . . A 1125 ASN CB . 18816 1 242 . 1 1 23 23 ASN N N 15 115.331 0.011 . 1 . . . A 1125 ASN N . 18816 1 243 . 1 1 23 23 ASN ND2 N 15 112.912 0.005 . 1 . . . A 1125 ASN ND2 . 18816 1 244 . 1 1 24 24 TRP H H 1 7.503 0.004 . 1 . . . A 1126 TRP H . 18816 1 245 . 1 1 24 24 TRP HA H 1 5.284 0.011 . 1 . . . A 1126 TRP HA . 18816 1 246 . 1 1 24 24 TRP HB2 H 1 3.196 0.010 . 1 . . . A 1126 TRP HB2 . 18816 1 247 . 1 1 24 24 TRP HB3 H 1 3.898 0.008 . 1 . . . A 1126 TRP HB3 . 18816 1 248 . 1 1 24 24 TRP HD1 H 1 6.798 0.008 . 1 . . . A 1126 TRP HD1 . 18816 1 249 . 1 1 24 24 TRP HE1 H 1 10.093 0.000 . 1 . . . A 1126 TRP HE1 . 18816 1 250 . 1 1 24 24 TRP HE3 H 1 7.445 0.008 . 1 . . . A 1126 TRP HE3 . 18816 1 251 . 1 1 24 24 TRP HZ2 H 1 7.540 0.002 . 1 . . . A 1126 TRP HZ2 . 18816 1 252 . 1 1 24 24 TRP HZ3 H 1 7.276 0.007 . 1 . . . A 1126 TRP HZ3 . 18816 1 253 . 1 1 24 24 TRP HH2 H 1 7.313 0.004 . 1 . . . A 1126 TRP HH2 . 18816 1 254 . 1 1 24 24 TRP C C 13 176.723 0.017 . 1 . . . A 1126 TRP C . 18816 1 255 . 1 1 24 24 TRP CA C 13 53.788 0.024 . 1 . . . A 1126 TRP CA . 18816 1 256 . 1 1 24 24 TRP CB C 13 28.746 0.012 . 1 . . . A 1126 TRP CB . 18816 1 257 . 1 1 24 24 TRP CD1 C 13 123.964 0.000 . 1 . . . A 1126 TRP CD1 . 18816 1 258 . 1 1 24 24 TRP CE3 C 13 120.697 0.000 . 1 . . . A 1126 TRP CE3 . 18816 1 259 . 1 1 24 24 TRP CZ2 C 13 114.947 0.000 . 1 . . . A 1126 TRP CZ2 . 18816 1 260 . 1 1 24 24 TRP CZ3 C 13 121.291 0.000 . 1 . . . A 1126 TRP CZ3 . 18816 1 261 . 1 1 24 24 TRP CH2 C 13 124.961 0.000 . 1 . . . A 1126 TRP CH2 . 18816 1 262 . 1 1 24 24 TRP N N 15 117.835 0.040 . 1 . . . A 1126 TRP N . 18816 1 263 . 1 1 24 24 TRP NE1 N 15 127.761 0.013 . 1 . . . A 1126 TRP NE1 . 18816 1 264 . 1 1 25 25 VAL H H 1 7.380 0.005 . 1 . . . A 1127 VAL H . 18816 1 265 . 1 1 25 25 VAL HA H 1 3.838 0.012 . 1 . . . A 1127 VAL HA . 18816 1 266 . 1 1 25 25 VAL HB H 1 1.954 0.007 . 1 . . . A 1127 VAL HB . 18816 1 267 . 1 1 25 25 VAL HG11 H 1 0.401 0.009 . 1 . . . A 1127 VAL HG11 . 18816 1 268 . 1 1 25 25 VAL HG12 H 1 0.401 0.009 . 1 . . . A 1127 VAL HG12 . 18816 1 269 . 1 1 25 25 VAL HG13 H 1 0.401 0.009 . 1 . . . A 1127 VAL HG13 . 18816 1 270 . 1 1 25 25 VAL HG21 H 1 0.771 0.008 . 1 . . . A 1127 VAL HG21 . 18816 1 271 . 1 1 25 25 VAL HG22 H 1 0.771 0.008 . 1 . . . A 1127 VAL HG22 . 18816 1 272 . 1 1 25 25 VAL HG23 H 1 0.771 0.008 . 1 . . . A 1127 VAL HG23 . 18816 1 273 . 1 1 25 25 VAL C C 13 174.870 0.025 . 1 . . . A 1127 VAL C . 18816 1 274 . 1 1 25 25 VAL CA C 13 63.386 0.014 . 1 . . . A 1127 VAL CA . 18816 1 275 . 1 1 25 25 VAL CB C 13 32.070 0.017 . 1 . . . A 1127 VAL CB . 18816 1 276 . 1 1 25 25 VAL CG1 C 13 22.985 0.048 . 1 . . . A 1127 VAL CG1 . 18816 1 277 . 1 1 25 25 VAL CG2 C 13 21.309 0.002 . 1 . . . A 1127 VAL CG2 . 18816 1 278 . 1 1 25 25 VAL N N 15 127.153 0.046 . 1 . . . A 1127 VAL N . 18816 1 279 . 1 1 26 26 CYS H H 1 8.840 0.007 . 1 . . . A 1128 CYS H . 18816 1 280 . 1 1 26 26 CYS HA H 1 5.069 0.010 . 1 . . . A 1128 CYS HA . 18816 1 281 . 1 1 26 26 CYS HB2 H 1 3.298 0.007 . 1 . . . A 1128 CYS HB2 . 18816 1 282 . 1 1 26 26 CYS HB3 H 1 3.022 0.007 . 1 . . . A 1128 CYS HB3 . 18816 1 283 . 1 1 26 26 CYS C C 13 175.244 0.000 . 1 . . . A 1128 CYS C . 18816 1 284 . 1 1 26 26 CYS CA C 13 56.119 0.077 . 1 . . . A 1128 CYS CA . 18816 1 285 . 1 1 26 26 CYS CB C 13 36.015 0.032 . 1 . . . A 1128 CYS CB . 18816 1 286 . 1 1 26 26 CYS N N 15 124.949 0.046 . 1 . . . A 1128 CYS N . 18816 1 287 . 1 1 27 27 ASP H H 1 9.848 0.005 . 1 . . . A 1129 ASP H . 18816 1 288 . 1 1 27 27 ASP HA H 1 4.965 0.010 . 1 . . . A 1129 ASP HA . 18816 1 289 . 1 1 27 27 ASP HB2 H 1 2.410 0.014 . 1 . . . A 1129 ASP HB2 . 18816 1 290 . 1 1 27 27 ASP HB3 H 1 3.152 0.010 . 1 . . . A 1129 ASP HB3 . 18816 1 291 . 1 1 27 27 ASP C C 13 178.638 0.007 . 1 . . . A 1129 ASP C . 18816 1 292 . 1 1 27 27 ASP CA C 13 52.274 0.031 . 1 . . . A 1129 ASP CA . 18816 1 293 . 1 1 27 27 ASP CB C 13 41.666 0.040 . 1 . . . A 1129 ASP CB . 18816 1 294 . 1 1 27 27 ASP N N 15 121.872 0.093 . 1 . . . A 1129 ASP N . 18816 1 295 . 1 1 28 28 THR H H 1 9.281 0.005 . 1 . . . A 1130 THR H . 18816 1 296 . 1 1 28 28 THR HA H 1 3.815 0.012 . 1 . . . A 1130 THR HA . 18816 1 297 . 1 1 28 28 THR HB H 1 4.470 0.008 . 1 . . . A 1130 THR HB . 18816 1 298 . 1 1 28 28 THR HG21 H 1 1.124 0.009 . 1 . . . A 1130 THR HG21 . 18816 1 299 . 1 1 28 28 THR HG22 H 1 1.124 0.009 . 1 . . . A 1130 THR HG22 . 18816 1 300 . 1 1 28 28 THR HG23 H 1 1.124 0.009 . 1 . . . A 1130 THR HG23 . 18816 1 301 . 1 1 28 28 THR C C 13 173.298 0.018 . 1 . . . A 1130 THR C . 18816 1 302 . 1 1 28 28 THR CA C 13 66.536 0.035 . 1 . . . A 1130 THR CA . 18816 1 303 . 1 1 28 28 THR CB C 13 69.241 0.055 . 1 . . . A 1130 THR CB . 18816 1 304 . 1 1 28 28 THR CG2 C 13 21.571 0.046 . 1 . . . A 1130 THR CG2 . 18816 1 305 . 1 1 28 28 THR N N 15 115.135 0.094 . 1 . . . A 1130 THR N . 18816 1 306 . 1 1 29 29 ASP H H 1 7.722 0.004 . 1 . . . A 1131 ASP H . 18816 1 307 . 1 1 29 29 ASP HA H 1 4.893 0.011 . 1 . . . A 1131 ASP HA . 18816 1 308 . 1 1 29 29 ASP HB2 H 1 2.698 0.021 . 1 . . . A 1131 ASP HB2 . 18816 1 309 . 1 1 29 29 ASP HB3 H 1 2.488 0.012 . 1 . . . A 1131 ASP HB3 . 18816 1 310 . 1 1 29 29 ASP CA C 13 53.358 0.045 . 1 . . . A 1131 ASP CA . 18816 1 311 . 1 1 29 29 ASP CB C 13 41.907 0.008 . 1 . . . A 1131 ASP CB . 18816 1 312 . 1 1 29 29 ASP N N 15 122.063 0.086 . 1 . . . A 1131 ASP N . 18816 1 313 . 1 1 30 30 ASN C C 13 173.893 0.031 . 1 . . . A 1132 ASN C . 18816 1 314 . 1 1 30 30 ASN CA C 13 55.916 0.029 . 1 . . . A 1132 ASN CA . 18816 1 315 . 1 1 30 30 ASN CB C 13 30.055 0.001 . 1 . . . A 1132 ASN CB . 18816 1 316 . 1 1 31 31 ASP H H 1 8.180 0.005 . 1 . . . A 1133 ASP H . 18816 1 317 . 1 1 31 31 ASP HA H 1 4.759 0.004 . 1 . . . A 1133 ASP HA . 18816 1 318 . 1 1 31 31 ASP HB2 H 1 2.883 0.003 . 1 . . . A 1133 ASP HB2 . 18816 1 319 . 1 1 31 31 ASP C C 13 179.122 0.000 . 1 . . . A 1133 ASP C . 18816 1 320 . 1 1 31 31 ASP CA C 13 56.507 0.000 . 1 . . . A 1133 ASP CA . 18816 1 321 . 1 1 31 31 ASP CB C 13 43.640 0.001 . 1 . . . A 1133 ASP CB . 18816 1 322 . 1 1 31 31 ASP N N 15 125.235 0.087 . 1 . . . A 1133 ASP N . 18816 1 323 . 1 1 32 32 CYS HA H 1 4.559 0.013 . 1 . . . A 1134 CYS HA . 18816 1 324 . 1 1 32 32 CYS HB3 H 1 3.246 0.006 . 1 . . . A 1134 CYS HB3 . 18816 1 325 . 1 1 32 32 CYS CA C 13 58.079 0.000 . 1 . . . A 1134 CYS CA . 18816 1 326 . 1 1 32 32 CYS CB C 13 43.039 0.000 . 1 . . . A 1134 CYS CB . 18816 1 327 . 1 1 33 33 GLY HA2 H 1 4.029 0.007 . 1 . . . A 1135 GLY HA2 . 18816 1 328 . 1 1 33 33 GLY HA3 H 1 4.029 0.007 . 1 . . . A 1135 GLY HA3 . 18816 1 329 . 1 1 33 33 GLY CA C 13 45.517 0.048 . 1 . . . A 1135 GLY CA . 18816 1 330 . 1 1 34 34 ASP HA H 1 4.791 0.006 . 1 . . . A 1136 ASP HA . 18816 1 331 . 1 1 34 34 ASP HB2 H 1 2.639 0.010 . 1 . . . A 1136 ASP HB2 . 18816 1 332 . 1 1 34 34 ASP HB3 H 1 3.262 0.007 . 1 . . . A 1136 ASP HB3 . 18816 1 333 . 1 1 34 34 ASP C C 13 177.992 0.000 . 1 . . . A 1136 ASP C . 18816 1 334 . 1 1 34 34 ASP CA C 13 52.394 0.029 . 1 . . . A 1136 ASP CA . 18816 1 335 . 1 1 34 34 ASP CB C 13 41.085 0.021 . 1 . . . A 1136 ASP CB . 18816 1 336 . 1 1 35 35 GLY H H 1 8.374 0.008 . 1 . . . A 1137 GLY H . 18816 1 337 . 1 1 35 35 GLY HA2 H 1 3.540 0.007 . 1 . . . A 1137 GLY HA2 . 18816 1 338 . 1 1 35 35 GLY HA3 H 1 4.148 0.007 . 1 . . . A 1137 GLY HA3 . 18816 1 339 . 1 1 35 35 GLY C C 13 177.370 0.000 . 1 . . . A 1137 GLY C . 18816 1 340 . 1 1 35 35 GLY CA C 13 45.731 0.011 . 1 . . . A 1137 GLY CA . 18816 1 341 . 1 1 35 35 GLY N N 15 107.072 0.040 . 1 . . . A 1137 GLY N . 18816 1 342 . 1 1 36 36 SER H H 1 9.034 0.005 . 1 . . . A 1138 SER H . 18816 1 343 . 1 1 36 36 SER HA H 1 4.092 0.014 . 1 . . . A 1138 SER HA . 18816 1 344 . 1 1 36 36 SER HB2 H 1 4.289 0.008 . 1 . . . A 1138 SER HB2 . 18816 1 345 . 1 1 36 36 SER HB3 H 1 3.930 0.007 . 1 . . . A 1138 SER HB3 . 18816 1 346 . 1 1 36 36 SER C C 13 175.426 0.000 . 1 . . . A 1138 SER C . 18816 1 347 . 1 1 36 36 SER CA C 13 62.477 0.027 . 1 . . . A 1138 SER CA . 18816 1 348 . 1 1 36 36 SER CB C 13 62.584 0.007 . 1 . . . A 1138 SER CB . 18816 1 349 . 1 1 36 36 SER N N 15 117.237 0.006 . 1 . . . A 1138 SER N . 18816 1 350 . 1 1 37 37 ASP H H 1 10.259 0.009 . 1 . . . A 1139 ASP H . 18816 1 351 . 1 1 37 37 ASP HA H 1 4.347 0.006 . 1 . . . A 1139 ASP HA . 18816 1 352 . 1 1 37 37 ASP HB2 H 1 2.675 0.008 . 1 . . . A 1139 ASP HB2 . 18816 1 353 . 1 1 37 37 ASP HB3 H 1 3.083 0.014 . 1 . . . A 1139 ASP HB3 . 18816 1 354 . 1 1 37 37 ASP C C 13 174.930 0.005 . 1 . . . A 1139 ASP C . 18816 1 355 . 1 1 37 37 ASP CA C 13 54.283 0.025 . 1 . . . A 1139 ASP CA . 18816 1 356 . 1 1 37 37 ASP CB C 13 40.231 0.018 . 1 . . . A 1139 ASP CB . 18816 1 357 . 1 1 37 37 ASP N N 15 117.265 0.004 . 1 . . . A 1139 ASP N . 18816 1 358 . 1 1 38 38 GLU H H 1 7.710 0.004 . 1 . . . A 1140 GLU H . 18816 1 359 . 1 1 38 38 GLU HA H 1 4.782 0.011 . 1 . . . A 1140 GLU HA . 18816 1 360 . 1 1 38 38 GLU HB2 H 1 1.513 0.008 . 1 . . . A 1140 GLU HB2 . 18816 1 361 . 1 1 38 38 GLU HB3 H 1 2.482 0.008 . 1 . . . A 1140 GLU HB3 . 18816 1 362 . 1 1 38 38 GLU HG2 H 1 2.006 0.008 . 1 . . . A 1140 GLU HG2 . 18816 1 363 . 1 1 38 38 GLU HG3 H 1 1.936 0.008 . 1 . . . A 1140 GLU HG3 . 18816 1 364 . 1 1 38 38 GLU C C 13 175.917 0.000 . 1 . . . A 1140 GLU C . 18816 1 365 . 1 1 38 38 GLU CA C 13 54.159 0.026 . 1 . . . A 1140 GLU CA . 18816 1 366 . 1 1 38 38 GLU CB C 13 29.773 0.036 . 1 . . . A 1140 GLU CB . 18816 1 367 . 1 1 38 38 GLU CG C 13 36.217 0.020 . 1 . . . A 1140 GLU CG . 18816 1 368 . 1 1 38 38 GLU N N 15 118.160 0.022 . 1 . . . A 1140 GLU N . 18816 1 369 . 1 1 39 39 LYS H H 1 7.102 0.004 . 1 . . . A 1141 LYS H . 18816 1 370 . 1 1 39 39 LYS HA H 1 4.418 0.009 . 1 . . . A 1141 LYS HA . 18816 1 371 . 1 1 39 39 LYS HB2 H 1 1.769 0.012 . 1 . . . A 1141 LYS HB2 . 18816 1 372 . 1 1 39 39 LYS HB3 H 1 1.877 0.006 . 1 . . . A 1141 LYS HB3 . 18816 1 373 . 1 1 39 39 LYS HG2 H 1 1.549 0.008 . 1 . . . A 1141 LYS HG2 . 18816 1 374 . 1 1 39 39 LYS HG3 H 1 1.384 0.008 . 1 . . . A 1141 LYS HG3 . 18816 1 375 . 1 1 39 39 LYS HD3 H 1 1.706 0.006 . 1 . . . A 1141 LYS HD3 . 18816 1 376 . 1 1 39 39 LYS HE2 H 1 3.064 0.008 . 1 . . . A 1141 LYS HE2 . 18816 1 377 . 1 1 39 39 LYS HE3 H 1 3.001 0.005 . 1 . . . A 1141 LYS HE3 . 18816 1 378 . 1 1 39 39 LYS C C 13 175.721 0.008 . 1 . . . A 1141 LYS C . 18816 1 379 . 1 1 39 39 LYS CA C 13 56.584 0.030 . 1 . . . A 1141 LYS CA . 18816 1 380 . 1 1 39 39 LYS CB C 13 34.112 0.014 . 1 . . . A 1141 LYS CB . 18816 1 381 . 1 1 39 39 LYS CG C 13 24.011 0.032 . 1 . . . A 1141 LYS CG . 18816 1 382 . 1 1 39 39 LYS CD C 13 29.694 0.008 . 1 . . . A 1141 LYS CD . 18816 1 383 . 1 1 39 39 LYS CE C 13 41.728 0.016 . 1 . . . A 1141 LYS CE . 18816 1 384 . 1 1 39 39 LYS N N 15 119.658 0.035 . 1 . . . A 1141 LYS N . 18816 1 385 . 1 1 40 40 ASN H H 1 8.773 0.003 . 1 . . . A 1142 ASN H . 18816 1 386 . 1 1 40 40 ASN HA H 1 4.836 0.014 . 1 . . . A 1142 ASN HA . 18816 1 387 . 1 1 40 40 ASN HB2 H 1 2.740 0.010 . 1 . . . A 1142 ASN HB2 . 18816 1 388 . 1 1 40 40 ASN HB3 H 1 2.962 0.007 . 1 . . . A 1142 ASN HB3 . 18816 1 389 . 1 1 40 40 ASN HD21 H 1 7.722 0.003 . 1 . . . A 1142 ASN HD21 . 18816 1 390 . 1 1 40 40 ASN HD22 H 1 6.991 0.003 . 1 . . . A 1142 ASN HD22 . 18816 1 391 . 1 1 40 40 ASN C C 13 175.050 0.021 . 1 . . . A 1142 ASN C . 18816 1 392 . 1 1 40 40 ASN CA C 13 53.193 0.061 . 1 . . . A 1142 ASN CA . 18816 1 393 . 1 1 40 40 ASN CB C 13 38.037 0.025 . 1 . . . A 1142 ASN CB . 18816 1 394 . 1 1 40 40 ASN N N 15 119.864 0.019 . 1 . . . A 1142 ASN N . 18816 1 395 . 1 1 40 40 ASN ND2 N 15 113.516 0.135 . 1 . . . A 1142 ASN ND2 . 18816 1 396 . 1 1 41 41 CYS H H 1 8.241 0.008 . 1 . . . A 1143 CYS H . 18816 1 397 . 1 1 41 41 CYS HA H 1 4.787 0.008 . 1 . . . A 1143 CYS HA . 18816 1 398 . 1 1 41 41 CYS HB2 H 1 3.176 0.016 . 1 . . . A 1143 CYS HB2 . 18816 1 399 . 1 1 41 41 CYS HB3 H 1 2.694 0.007 . 1 . . . A 1143 CYS HB3 . 18816 1 400 . 1 1 41 41 CYS C C 13 175.168 0.000 . 1 . . . A 1143 CYS C . 18816 1 401 . 1 1 41 41 CYS CA C 13 54.796 0.024 . 1 . . . A 1143 CYS CA . 18816 1 402 . 1 1 41 41 CYS CB C 13 39.615 0.023 . 1 . . . A 1143 CYS CB . 18816 1 403 . 1 1 41 41 CYS N N 15 118.088 0.009 . 1 . . . A 1143 CYS N . 18816 1 404 . 1 1 42 42 ASN H H 1 8.684 0.003 . 1 . . . A 1144 ASN H . 18816 1 405 . 1 1 42 42 ASN HA H 1 4.674 0.016 . 1 . . . A 1144 ASN HA . 18816 1 406 . 1 1 42 42 ASN HB2 H 1 2.761 0.008 . 1 . . . A 1144 ASN HB2 . 18816 1 407 . 1 1 42 42 ASN HB3 H 1 2.704 0.005 . 1 . . . A 1144 ASN HB3 . 18816 1 408 . 1 1 42 42 ASN C C 13 176.421 0.038 . 1 . . . A 1144 ASN C . 18816 1 409 . 1 1 42 42 ASN CA C 13 54.581 0.030 . 1 . . . A 1144 ASN CA . 18816 1 410 . 1 1 42 42 ASN CB C 13 41.185 0.032 . 1 . . . A 1144 ASN CB . 18816 1 411 . 1 1 42 42 ASN N N 15 121.994 0.030 . 1 . . . A 1144 ASN N . 18816 1 412 . 1 1 43 43 SER H H 1 8.353 0.003 . 1 . . . A 1145 SER H . 18816 1 413 . 1 1 43 43 SER HA H 1 4.525 0.013 . 1 . . . A 1145 SER HA . 18816 1 414 . 1 1 43 43 SER HB2 H 1 3.979 0.009 . 1 . . . A 1145 SER HB2 . 18816 1 415 . 1 1 43 43 SER HB3 H 1 3.894 0.020 . 1 . . . A 1145 SER HB3 . 18816 1 416 . 1 1 43 43 SER C C 13 175.093 0.029 . 1 . . . A 1145 SER C . 18816 1 417 . 1 1 43 43 SER CA C 13 58.575 0.042 . 1 . . . A 1145 SER CA . 18816 1 418 . 1 1 43 43 SER CB C 13 63.738 0.043 . 1 . . . A 1145 SER CB . 18816 1 419 . 1 1 43 43 SER N N 15 116.404 0.013 . 1 . . . A 1145 SER N . 18816 1 420 . 1 1 44 44 THR H H 1 8.276 0.004 . 1 . . . A 1146 THR H . 18816 1 421 . 1 1 44 44 THR HA H 1 4.333 0.011 . 1 . . . A 1146 THR HA . 18816 1 422 . 1 1 44 44 THR HB H 1 4.286 0.005 . 1 . . . A 1146 THR HB . 18816 1 423 . 1 1 44 44 THR HG21 H 1 1.229 0.008 . 1 . . . A 1146 THR HG21 . 18816 1 424 . 1 1 44 44 THR HG22 H 1 1.229 0.008 . 1 . . . A 1146 THR HG22 . 18816 1 425 . 1 1 44 44 THR HG23 H 1 1.229 0.008 . 1 . . . A 1146 THR HG23 . 18816 1 426 . 1 1 44 44 THR C C 13 174.874 0.016 . 1 . . . A 1146 THR C . 18816 1 427 . 1 1 44 44 THR CA C 13 62.525 0.026 . 1 . . . A 1146 THR CA . 18816 1 428 . 1 1 44 44 THR CB C 13 69.642 0.026 . 1 . . . A 1146 THR CB . 18816 1 429 . 1 1 44 44 THR CG2 C 13 21.646 0.110 . 1 . . . A 1146 THR CG2 . 18816 1 430 . 1 1 44 44 THR N N 15 115.633 0.008 . 1 . . . A 1146 THR N . 18816 1 431 . 1 1 45 45 GLU H H 1 8.329 0.003 . 1 . . . A 1147 GLU H . 18816 1 432 . 1 1 45 45 GLU HA H 1 4.360 0.014 . 1 . . . A 1147 GLU HA . 18816 1 433 . 1 1 45 45 GLU HB2 H 1 2.067 0.010 . 1 . . . A 1147 GLU HB2 . 18816 1 434 . 1 1 45 45 GLU HB3 H 1 1.963 0.013 . 1 . . . A 1147 GLU HB3 . 18816 1 435 . 1 1 45 45 GLU HG2 H 1 2.283 0.012 . 1 . . . A 1147 GLU HG2 . 18816 1 436 . 1 1 45 45 GLU HG3 H 1 2.268 0.008 . 1 . . . A 1147 GLU HG3 . 18816 1 437 . 1 1 45 45 GLU C C 13 176.620 0.005 . 1 . . . A 1147 GLU C . 18816 1 438 . 1 1 45 45 GLU CA C 13 56.787 0.020 . 1 . . . A 1147 GLU CA . 18816 1 439 . 1 1 45 45 GLU CB C 13 30.255 0.037 . 1 . . . A 1147 GLU CB . 18816 1 440 . 1 1 45 45 GLU CG C 13 36.160 0.014 . 1 . . . A 1147 GLU CG . 18816 1 441 . 1 1 45 45 GLU N N 15 122.512 0.030 . 1 . . . A 1147 GLU N . 18816 1 442 . 1 1 46 46 THR H H 1 8.055 0.003 . 1 . . . A 1148 THR H . 18816 1 443 . 1 1 46 46 THR HA H 1 4.247 0.009 . 1 . . . A 1148 THR HA . 18816 1 444 . 1 1 46 46 THR HB H 1 4.121 0.007 . 1 . . . A 1148 THR HB . 18816 1 445 . 1 1 46 46 THR HG21 H 1 1.122 0.004 . 1 . . . A 1148 THR HG21 . 18816 1 446 . 1 1 46 46 THR HG22 H 1 1.122 0.004 . 1 . . . A 1148 THR HG22 . 18816 1 447 . 1 1 46 46 THR HG23 H 1 1.122 0.004 . 1 . . . A 1148 THR HG23 . 18816 1 448 . 1 1 46 46 THR CA C 13 62.238 0.017 . 1 . . . A 1148 THR CA . 18816 1 449 . 1 1 46 46 THR CB C 13 69.705 0.021 . 1 . . . A 1148 THR CB . 18816 1 450 . 1 1 46 46 THR CG2 C 13 21.393 0.079 . 1 . . . A 1148 THR CG2 . 18816 1 451 . 1 1 46 46 THR N N 15 114.475 0.012 . 1 . . . A 1148 THR N . 18816 1 stop_ save_