################################### # 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 53382 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assignments _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' . . . 53382 1 2 '3D HNCA' . . . 53382 1 3 '3D HNCO' . . . 53382 1 4 '3D HN(CO)CA' . . . 53382 1 5 '3D HBHA(CO)NH' . . . 53382 1 6 '3D CBCA(CO)NH' . . . 53382 1 7 '3D 1H-15N NOESY' . . . 53382 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 5 $software_5 . . 53382 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 2 2 MET HA H 1 4.517 0.04 . 1 . . . . . 2 MET HA . 53382 1 2 . 1 . 1 2 2 MET HB2 H 1 2.120 0.04 . 2 . . . . . 2 MET HB2 . 53382 1 3 . 1 . 1 2 2 MET HB3 H 1 2.120 0.04 . 2 . . . . . 2 MET HB3 . 53382 1 4 . 1 . 1 2 2 MET C C 13 175.368 0.40 . 1 . . . . . 2 MET C . 53382 1 5 . 1 . 1 2 2 MET CA C 13 55.621 0.40 . 1 . . . . . 2 MET CA . 53382 1 6 . 1 . 1 2 2 MET CB C 13 32.611 0.40 . 1 . . . . . 2 MET CB . 53382 1 7 . 1 . 1 3 3 ASP H H 1 8.383 0.04 . 1 . . . . . 3 ASP H . 53382 1 8 . 1 . 1 3 3 ASP HA H 1 4.571 0.04 . 1 . . . . . 3 ASP HA . 53382 1 9 . 1 . 1 3 3 ASP HB2 H 1 2.609 0.04 . 2 . . . . . 3 ASP HB2 . 53382 1 10 . 1 . 1 3 3 ASP HB3 H 1 2.609 0.04 . 2 . . . . . 3 ASP HB3 . 53382 1 11 . 1 . 1 3 3 ASP C C 13 175.936 0.40 . 1 . . . . . 3 ASP C . 53382 1 12 . 1 . 1 3 3 ASP CA C 13 54.230 0.40 . 1 . . . . . 3 ASP CA . 53382 1 13 . 1 . 1 3 3 ASP CB C 13 41.086 0.40 . 1 . . . . . 3 ASP CB . 53382 1 14 . 1 . 1 3 3 ASP N N 15 121.973 0.40 . 1 . . . . . 3 ASP N . 53382 1 15 . 1 . 1 4 4 TYR H H 1 8.204 0.04 . 1 . . . . . 4 TYR H . 53382 1 16 . 1 . 1 4 4 TYR HA H 1 4.337 0.04 . 1 . . . . . 4 TYR HA . 53382 1 17 . 1 . 1 4 4 TYR HB2 H 1 2.909 0.04 . 2 . . . . . 4 TYR HB2 . 53382 1 18 . 1 . 1 4 4 TYR HB3 H 1 2.909 0.04 . 2 . . . . . 4 TYR HB3 . 53382 1 19 . 1 . 1 4 4 TYR C C 13 175.955 0.40 . 1 . . . . . 4 TYR C . 53382 1 20 . 1 . 1 4 4 TYR CA C 13 58.902 0.40 . 1 . . . . . 4 TYR CA . 53382 1 21 . 1 . 1 4 4 TYR CB C 13 38.745 0.40 . 1 . . . . . 4 TYR CB . 53382 1 22 . 1 . 1 4 4 TYR N N 15 121.000 0.40 . 1 . . . . . 4 TYR N . 53382 1 23 . 1 . 1 5 5 ASP H H 1 8.307 0.04 . 1 . . . . . 5 ASP H . 53382 1 24 . 1 . 1 5 5 ASP HA H 1 4.547 0.04 . 1 . . . . . 5 ASP HA . 53382 1 25 . 1 . 1 5 5 ASP HB2 H 1 2.643 0.04 . 2 . . . . . 5 ASP HB2 . 53382 1 26 . 1 . 1 5 5 ASP HB3 H 1 2.643 0.04 . 2 . . . . . 5 ASP HB3 . 53382 1 27 . 1 . 1 5 5 ASP C C 13 176.775 0.40 . 1 . . . . . 5 ASP C . 53382 1 28 . 1 . 1 5 5 ASP CA C 13 54.894 0.40 . 1 . . . . . 5 ASP CA . 53382 1 29 . 1 . 1 5 5 ASP CB C 13 41.108 0.40 . 1 . . . . . 5 ASP CB . 53382 1 30 . 1 . 1 5 5 ASP N N 15 120.938 0.40 . 1 . . . . . 5 ASP N . 53382 1 31 . 1 . 1 6 6 SER H H 1 8.092 0.04 . 1 . . . . . 6 SER H . 53382 1 32 . 1 . 1 6 6 SER HA H 1 4.330 0.04 . 1 . . . . . 6 SER HA . 53382 1 33 . 1 . 1 6 6 SER HB2 H 1 3.825 0.04 . 2 . . . . . 6 SER HB2 . 53382 1 34 . 1 . 1 6 6 SER HB3 H 1 3.825 0.04 . 2 . . . . . 6 SER HB3 . 53382 1 35 . 1 . 1 6 6 SER C C 13 174.641 0.40 . 1 . . . . . 6 SER C . 53382 1 36 . 1 . 1 6 6 SER CA C 13 59.463 0.40 . 1 . . . . . 6 SER CA . 53382 1 37 . 1 . 1 6 6 SER CB C 13 63.566 0.40 . 1 . . . . . 6 SER CB . 53382 1 38 . 1 . 1 6 6 SER N N 15 115.922 0.40 . 1 . . . . . 6 SER N . 53382 1 39 . 1 . 1 7 7 TYR H H 1 8.072 0.04 . 1 . . . . . 7 TYR H . 53382 1 40 . 1 . 1 7 7 TYR HA H 1 4.375 0.04 . 1 . . . . . 7 TYR HA . 53382 1 41 . 1 . 1 7 7 TYR HB2 H 1 2.901 0.04 . 2 . . . . . 7 TYR HB2 . 53382 1 42 . 1 . 1 7 7 TYR HB3 H 1 2.901 0.04 . 2 . . . . . 7 TYR HB3 . 53382 1 43 . 1 . 1 7 7 TYR C C 13 175.883 0.40 . 1 . . . . . 7 TYR C . 53382 1 44 . 1 . 1 7 7 TYR CA C 13 58.674 0.40 . 1 . . . . . 7 TYR CA . 53382 1 45 . 1 . 1 7 7 TYR CB C 13 38.365 0.40 . 1 . . . . . 7 TYR CB . 53382 1 46 . 1 . 1 7 7 TYR N N 15 121.610 0.40 . 1 . . . . . 7 TYR N . 53382 1 47 . 1 . 1 8 8 GLN H H 1 8.052 0.04 . 1 . . . . . 8 GLN H . 53382 1 48 . 1 . 1 8 8 GLN HA H 1 3.999 0.04 . 1 . . . . . 8 GLN HA . 53382 1 49 . 1 . 1 8 8 GLN HB2 H 1 1.811 0.04 . 2 . . . . . 8 GLN HB2 . 53382 1 50 . 1 . 1 8 8 GLN HB3 H 1 1.811 0.04 . 2 . . . . . 8 GLN HB3 . 53382 1 51 . 1 . 1 8 8 GLN C C 13 175.682 0.40 . 1 . . . . . 8 GLN C . 53382 1 52 . 1 . 1 8 8 GLN CA C 13 56.285 0.40 . 1 . . . . . 8 GLN CA . 53382 1 53 . 1 . 1 8 8 GLN CB C 13 29.048 0.40 . 1 . . . . . 8 GLN CB . 53382 1 54 . 1 . 1 8 8 GLN N N 15 119.923 0.40 . 1 . . . . . 8 GLN N . 53382 1 55 . 1 . 1 9 9 HIS H H 1 8.084 0.04 . 1 . . . . . 9 HIS H . 53382 1 56 . 1 . 1 9 9 HIS HA H 1 4.476 0.04 . 1 . . . . . 9 HIS HA . 53382 1 57 . 1 . 1 9 9 HIS HB2 H 1 2.951 0.04 . 2 . . . . . 9 HIS HB2 . 53382 1 58 . 1 . 1 9 9 HIS HB3 H 1 2.570 0.04 . 2 . . . . . 9 HIS HB3 . 53382 1 59 . 1 . 1 9 9 HIS C C 13 174.470 0.40 . 1 . . . . . 9 HIS C . 53382 1 60 . 1 . 1 9 9 HIS CA C 13 56.002 0.40 . 1 . . . . . 9 HIS CA . 53382 1 61 . 1 . 1 9 9 HIS CB C 13 29.685 0.40 . 1 . . . . . 9 HIS CB . 53382 1 62 . 1 . 1 9 9 HIS N N 15 118.758 0.40 . 1 . . . . . 9 HIS N . 53382 1 63 . 1 . 1 10 10 TYR H H 1 7.938 0.04 . 1 . . . . . 10 TYR H . 53382 1 64 . 1 . 1 10 10 TYR HA H 1 4.412 0.04 . 1 . . . . . 10 TYR HA . 53382 1 65 . 1 . 1 10 10 TYR HB2 H 1 2.677 0.04 . 2 . . . . . 10 TYR HB2 . 53382 1 66 . 1 . 1 10 10 TYR HB3 H 1 2.677 0.04 . 2 . . . . . 10 TYR HB3 . 53382 1 67 . 1 . 1 10 10 TYR C C 13 175.275 0.40 . 1 . . . . . 10 TYR C . 53382 1 68 . 1 . 1 10 10 TYR CA C 13 58.176 0.40 . 1 . . . . . 10 TYR CA . 53382 1 69 . 1 . 1 10 10 TYR CB C 13 39.088 0.40 . 1 . . . . . 10 TYR CB . 53382 1 70 . 1 . 1 10 10 TYR N N 15 120.436 0.40 . 1 . . . . . 10 TYR N . 53382 1 71 . 1 . 1 11 11 PHE H H 1 8.052 0.04 . 1 . . . . . 11 PHE H . 53382 1 72 . 1 . 1 11 11 PHE HA H 1 4.377 0.04 . 1 . . . . . 11 PHE HA . 53382 1 73 . 1 . 1 11 11 PHE HB2 H 1 2.783 0.04 . 2 . . . . . 11 PHE HB2 . 53382 1 74 . 1 . 1 11 11 PHE HB3 H 1 2.783 0.04 . 2 . . . . . 11 PHE HB3 . 53382 1 75 . 1 . 1 11 11 PHE C C 13 174.988 0.40 . 1 . . . . . 11 PHE C . 53382 1 76 . 1 . 1 11 11 PHE CA C 13 57.870 0.40 . 1 . . . . . 11 PHE CA . 53382 1 77 . 1 . 1 11 11 PHE CB C 13 39.724 0.40 . 1 . . . . . 11 PHE CB . 53382 1 78 . 1 . 1 11 11 PHE N N 15 120.522 0.40 . 1 . . . . . 11 PHE N . 53382 1 79 . 1 . 1 12 12 TYR H H 1 7.842 0.04 . 1 . . . . . 12 TYR H . 53382 1 80 . 1 . 1 12 12 TYR HA H 1 4.434 0.04 . 1 . . . . . 12 TYR HA . 53382 1 81 . 1 . 1 12 12 TYR HB2 H 1 2.915 0.04 . 2 . . . . . 12 TYR HB2 . 53382 1 82 . 1 . 1 12 12 TYR HB3 H 1 2.915 0.04 . 2 . . . . . 12 TYR HB3 . 53382 1 83 . 1 . 1 12 12 TYR C C 13 175.483 0.40 . 1 . . . . . 12 TYR C . 53382 1 84 . 1 . 1 12 12 TYR CA C 13 58.233 0.40 . 1 . . . . . 12 TYR CA . 53382 1 85 . 1 . 1 12 12 TYR CB C 13 38.860 0.40 . 1 . . . . . 12 TYR CB . 53382 1 86 . 1 . 1 12 12 TYR N N 15 120.499 0.40 . 1 . . . . . 12 TYR N . 53382 1 87 . 1 . 1 13 13 ASP H H 1 8.316 0.04 . 1 . . . . . 13 ASP H . 53382 1 88 . 1 . 1 13 13 ASP HA H 1 4.493 0.04 . 1 . . . . . 13 ASP HA . 53382 1 89 . 1 . 1 13 13 ASP HB2 H 1 2.548 0.04 . 2 . . . . . 13 ASP HB2 . 53382 1 90 . 1 . 1 13 13 ASP HB3 H 1 2.548 0.04 . 2 . . . . . 13 ASP HB3 . 53382 1 91 . 1 . 1 13 13 ASP C C 13 175.649 0.40 . 1 . . . . . 13 ASP C . 53382 1 92 . 1 . 1 13 13 ASP CA C 13 54.181 0.40 . 1 . . . . . 13 ASP CA . 53382 1 93 . 1 . 1 13 13 ASP CB C 13 41.027 0.40 . 1 . . . . . 13 ASP CB . 53382 1 94 . 1 . 1 13 13 ASP N N 15 121.691 0.40 . 1 . . . . . 13 ASP N . 53382 1 95 . 1 . 1 14 14 TYR H H 1 7.864 0.04 . 1 . . . . . 14 TYR H . 53382 1 96 . 1 . 1 14 14 TYR CA C 13 58.223 0.40 . 1 . . . . . 14 TYR CA . 53382 1 97 . 1 . 1 14 14 TYR CB C 13 38.867 0.40 . 1 . . . . . 14 TYR CB . 53382 1 98 . 1 . 1 14 14 TYR N N 15 120.322 0.40 . 1 . . . . . 14 TYR N . 53382 1 99 . 1 . 1 15 15 ASP HA H 1 4.561 0.04 . 1 . . . . . 15 ASP HA . 53382 1 100 . 1 . 1 15 15 ASP HB2 H 1 2.614 0.04 . 2 . . . . . 15 ASP HB2 . 53382 1 101 . 1 . 1 15 15 ASP HB3 H 1 2.614 0.04 . 2 . . . . . 15 ASP HB3 . 53382 1 102 . 1 . 1 15 15 ASP C C 13 176.076 0.40 . 1 . . . . . 15 ASP C . 53382 1 103 . 1 . 1 15 15 ASP CA C 13 54.467 0.40 . 1 . . . . . 15 ASP CA . 53382 1 104 . 1 . 1 15 15 ASP CB C 13 41.116 0.40 . 1 . . . . . 15 ASP CB . 53382 1 105 . 1 . 1 16 16 CYS H H 1 8.119 0.04 . 1 . . . . . 16 CYS H . 53382 1 106 . 1 . 1 16 16 CYS HA H 1 4.399 0.04 . 1 . . . . . 16 CYS HA . 53382 1 107 . 1 . 1 16 16 CYS HB2 H 1 2.844 0.04 . 2 . . . . . 16 CYS HB2 . 53382 1 108 . 1 . 1 16 16 CYS HB3 H 1 2.844 0.04 . 2 . . . . . 16 CYS HB3 . 53382 1 109 . 1 . 1 16 16 CYS C C 13 175.074 0.40 . 1 . . . . . 16 CYS C . 53382 1 110 . 1 . 1 16 16 CYS CA C 13 58.642 0.40 . 1 . . . . . 16 CYS CA . 53382 1 111 . 1 . 1 16 16 CYS CB C 13 28.282 0.40 . 1 . . . . . 16 CYS CB . 53382 1 112 . 1 . 1 16 16 CYS N N 15 119.092 0.40 . 1 . . . . . 16 CYS N . 53382 1 113 . 1 . 1 17 17 GLY H H 1 8.441 0.04 . 1 . . . . . 17 GLY H . 53382 1 114 . 1 . 1 17 17 GLY HA2 H 1 3.868 0.04 . 2 . . . . . 17 GLY HA2 . 53382 1 115 . 1 . 1 17 17 GLY HA3 H 1 3.444 0.04 . 2 . . . . . 17 GLY HA3 . 53382 1 116 . 1 . 1 17 17 GLY C C 13 174.272 0.40 . 1 . . . . . 17 GLY C . 53382 1 117 . 1 . 1 17 17 GLY CA C 13 45.522 0.40 . 1 . . . . . 17 GLY CA . 53382 1 118 . 1 . 1 17 17 GLY N N 15 110.902 0.40 . 1 . . . . . 17 GLY N . 53382 1 119 . 1 . 1 18 18 GLU H H 1 8.291 0.04 . 1 . . . . . 18 GLU H . 53382 1 120 . 1 . 1 18 18 GLU HA H 1 4.190 0.04 . 1 . . . . . 18 GLU HA . 53382 1 121 . 1 . 1 18 18 GLU HB2 H 1 1.916 0.04 . 2 . . . . . 18 GLU HB2 . 53382 1 122 . 1 . 1 18 18 GLU HB3 H 1 1.916 0.04 . 2 . . . . . 18 GLU HB3 . 53382 1 123 . 1 . 1 18 18 GLU C C 13 176.543 0.40 . 1 . . . . . 18 GLU C . 53382 1 124 . 1 . 1 18 18 GLU CA C 13 57.206 0.40 . 1 . . . . . 18 GLU CA . 53382 1 125 . 1 . 1 18 18 GLU CB C 13 30.319 0.40 . 1 . . . . . 18 GLU CB . 53382 1 126 . 1 . 1 18 18 GLU N N 15 120.402 0.40 . 1 . . . . . 18 GLU N . 53382 1 127 . 1 . 1 19 19 ASP H H 1 8.388 0.04 . 1 . . . . . 19 ASP H . 53382 1 128 . 1 . 1 19 19 ASP HA H 1 4.482 0.04 . 1 . . . . . 19 ASP HA . 53382 1 129 . 1 . 1 19 19 ASP HB2 H 1 2.565 0.04 . 2 . . . . . 19 ASP HB2 . 53382 1 130 . 1 . 1 19 19 ASP HB3 H 1 2.565 0.04 . 2 . . . . . 19 ASP HB3 . 53382 1 131 . 1 . 1 19 19 ASP C C 13 176.395 0.40 . 1 . . . . . 19 ASP C . 53382 1 132 . 1 . 1 19 19 ASP CA C 13 54.735 0.40 . 1 . . . . . 19 ASP CA . 53382 1 133 . 1 . 1 19 19 ASP CB C 13 40.923 0.40 . 1 . . . . . 19 ASP CB . 53382 1 134 . 1 . 1 19 19 ASP N N 15 120.257 0.40 . 1 . . . . . 19 ASP N . 53382 1 135 . 1 . 1 20 20 PHE H H 1 7.974 0.04 . 1 . . . . . 20 PHE H . 53382 1 136 . 1 . 1 20 20 PHE HA H 1 4.360 0.04 . 1 . . . . . 20 PHE HA . 53382 1 137 . 1 . 1 20 20 PHE HB2 H 1 2.886 0.04 . 2 . . . . . 20 PHE HB2 . 53382 1 138 . 1 . 1 20 20 PHE HB3 H 1 2.886 0.04 . 2 . . . . . 20 PHE HB3 . 53382 1 139 . 1 . 1 20 20 PHE C C 13 175.883 0.40 . 1 . . . . . 20 PHE C . 53382 1 140 . 1 . 1 20 20 PHE CA C 13 58.813 0.40 . 1 . . . . . 20 PHE CA . 53382 1 141 . 1 . 1 20 20 PHE CB C 13 39.454 0.40 . 1 . . . . . 20 PHE CB . 53382 1 142 . 1 . 1 20 20 PHE N N 15 120.517 0.40 . 1 . . . . . 20 PHE N . 53382 1 143 . 1 . 1 21 21 TYR H H 1 8.013 0.04 . 1 . . . . . 21 TYR H . 53382 1 144 . 1 . 1 21 21 TYR HA H 1 4.588 0.04 . 1 . . . . . 21 TYR HA . 53382 1 145 . 1 . 1 21 21 TYR HB2 H 1 3.016 0.04 . 2 . . . . . 21 TYR HB2 . 53382 1 146 . 1 . 1 21 21 TYR HB3 H 1 3.016 0.04 . 2 . . . . . 21 TYR HB3 . 53382 1 147 . 1 . 1 21 21 TYR C C 13 175.435 0.40 . 1 . . . . . 21 TYR C . 53382 1 148 . 1 . 1 21 21 TYR CA C 13 57.642 0.40 . 1 . . . . . 21 TYR CA . 53382 1 149 . 1 . 1 21 21 TYR CB C 13 39.485 0.40 . 1 . . . . . 21 TYR CB . 53382 1 150 . 1 . 1 21 21 TYR N N 15 119.930 0.40 . 1 . . . . . 21 TYR N . 53382 1 151 . 1 . 1 22 22 ARG H H 1 8.093 0.04 . 1 . . . . . 22 ARG H . 53382 1 152 . 1 . 1 22 22 ARG HA H 1 4.318 0.04 . 1 . . . . . 22 ARG HA . 53382 1 153 . 1 . 1 22 22 ARG HB2 H 1 1.720 0.04 . 2 . . . . . 22 ARG HB2 . 53382 1 154 . 1 . 1 22 22 ARG HB3 H 1 1.720 0.04 . 2 . . . . . 22 ARG HB3 . 53382 1 155 . 1 . 1 22 22 ARG C C 13 176.127 0.40 . 1 . . . . . 22 ARG C . 53382 1 156 . 1 . 1 22 22 ARG CA C 13 56.156 0.40 . 1 . . . . . 22 ARG CA . 53382 1 157 . 1 . 1 22 22 ARG CB C 13 31.095 0.40 . 1 . . . . . 22 ARG CB . 53382 1 158 . 1 . 1 22 22 ARG N N 15 121.975 0.40 . 1 . . . . . 22 ARG N . 53382 1 159 . 1 . 1 23 23 SER H H 1 8.215 0.04 . 1 . . . . . 23 SER H . 53382 1 160 . 1 . 1 23 23 SER HA H 1 4.414 0.04 . 1 . . . . . 23 SER HA . 53382 1 161 . 1 . 1 23 23 SER HB2 H 1 3.853 0.04 . 2 . . . . . 23 SER HB2 . 53382 1 162 . 1 . 1 23 23 SER HB3 H 1 3.853 0.04 . 2 . . . . . 23 SER HB3 . 53382 1 163 . 1 . 1 23 23 SER C C 13 174.765 0.40 . 1 . . . . . 23 SER C . 53382 1 164 . 1 . 1 23 23 SER CA C 13 58.617 0.40 . 1 . . . . . 23 SER CA . 53382 1 165 . 1 . 1 23 23 SER CB C 13 63.925 0.40 . 1 . . . . . 23 SER CB . 53382 1 166 . 1 . 1 23 23 SER N N 15 116.370 0.40 . 1 . . . . . 23 SER N . 53382 1 167 . 1 . 1 24 24 THR H H 1 8.034 0.04 . 1 . . . . . 24 THR H . 53382 1 168 . 1 . 1 24 24 THR HA H 1 4.318 0.04 . 1 . . . . . 24 THR HA . 53382 1 169 . 1 . 1 24 24 THR HB H 1 4.235 0.04 . 1 . . . . . 24 THR HB . 53382 1 170 . 1 . 1 24 24 THR C C 13 173.881 0.40 . 1 . . . . . 24 THR C . 53382 1 171 . 1 . 1 24 24 THR CA C 13 61.644 0.40 . 1 . . . . . 24 THR CA . 53382 1 172 . 1 . 1 24 24 THR CB C 13 69.912 0.40 . 1 . . . . . 24 THR CB . 53382 1 173 . 1 . 1 24 24 THR N N 15 115.240 0.40 . 1 . . . . . 24 THR N . 53382 1 174 . 1 . 1 25 25 ALA H H 1 8.210 0.04 . 1 . . . . . 25 ALA H . 53382 1 175 . 1 . 1 25 25 ALA CA C 13 50.750 0.40 . 1 . . . . . 25 ALA CA . 53382 1 176 . 1 . 1 25 25 ALA CB C 13 18.200 0.40 . 1 . . . . . 25 ALA CB . 53382 1 177 . 1 . 1 25 25 ALA N N 15 127.607 0.40 . 1 . . . . . 25 ALA N . 53382 1 178 . 1 . 1 26 26 PRO HA H 1 4.372 0.04 . 1 . . . . . 26 PRO HA . 53382 1 179 . 1 . 1 26 26 PRO HB2 H 1 2.289 0.04 . 2 . . . . . 26 PRO HB2 . 53382 1 180 . 1 . 1 26 26 PRO HB3 H 1 1.875 0.04 . 2 . . . . . 26 PRO HB3 . 53382 1 181 . 1 . 1 26 26 PRO C C 13 177.008 0.40 . 1 . . . . . 26 PRO C . 53382 1 182 . 1 . 1 26 26 PRO CA C 13 63.287 0.40 . 1 . . . . . 26 PRO CA . 53382 1 183 . 1 . 1 26 26 PRO CB C 13 32.143 0.40 . 1 . . . . . 26 PRO CB . 53382 1 184 . 1 . 1 27 27 SER H H 1 8.294 0.04 . 1 . . . . . 27 SER H . 53382 1 185 . 1 . 1 27 27 SER HA H 1 4.365 0.04 . 1 . . . . . 27 SER HA . 53382 1 186 . 1 . 1 27 27 SER HB2 H 1 3.857 0.04 . 2 . . . . . 27 SER HB2 . 53382 1 187 . 1 . 1 27 27 SER HB3 H 1 3.857 0.04 . 2 . . . . . 27 SER HB3 . 53382 1 188 . 1 . 1 27 27 SER C C 13 174.822 0.40 . 1 . . . . . 27 SER C . 53382 1 189 . 1 . 1 27 27 SER CA C 13 58.621 0.40 . 1 . . . . . 27 SER CA . 53382 1 190 . 1 . 1 27 27 SER CB C 13 63.891 0.40 . 1 . . . . . 27 SER CB . 53382 1 191 . 1 . 1 27 27 SER N N 15 115.608 0.40 . 1 . . . . . 27 SER N . 53382 1 192 . 1 . 1 28 28 GLU H H 1 8.477 0.04 . 1 . . . . . 28 GLU H . 53382 1 193 . 1 . 1 28 28 GLU HA H 1 4.158 0.04 . 1 . . . . . 28 GLU HA . 53382 1 194 . 1 . 1 28 28 GLU HB2 H 1 1.984 0.04 . 2 . . . . . 28 GLU HB2 . 53382 1 195 . 1 . 1 28 28 GLU HB3 H 1 1.984 0.04 . 2 . . . . . 28 GLU HB3 . 53382 1 196 . 1 . 1 28 28 GLU C C 13 176.295 0.40 . 1 . . . . . 28 GLU C . 53382 1 197 . 1 . 1 28 28 GLU CA C 13 57.042 0.40 . 1 . . . . . 28 GLU CA . 53382 1 198 . 1 . 1 28 28 GLU CB C 13 30.257 0.40 . 1 . . . . . 28 GLU CB . 53382 1 199 . 1 . 1 28 28 GLU N N 15 122.448 0.40 . 1 . . . . . 28 GLU N . 53382 1 200 . 1 . 1 29 29 ASP H H 1 8.293 0.04 . 1 . . . . . 29 ASP H . 53382 1 201 . 1 . 1 29 29 ASP HA H 1 4.490 0.04 . 1 . . . . . 29 ASP HA . 53382 1 202 . 1 . 1 29 29 ASP HB2 H 1 2.536 0.04 . 2 . . . . . 29 ASP HB2 . 53382 1 203 . 1 . 1 29 29 ASP HB3 H 1 2.536 0.04 . 2 . . . . . 29 ASP HB3 . 53382 1 204 . 1 . 1 29 29 ASP C C 13 176.986 0.40 . 1 . . . . . 29 ASP C . 53382 1 205 . 1 . 1 29 29 ASP CA C 13 54.675 0.40 . 1 . . . . . 29 ASP CA . 53382 1 206 . 1 . 1 29 29 ASP CB C 13 40.889 0.40 . 1 . . . . . 29 ASP CB . 53382 1 207 . 1 . 1 29 29 ASP N N 15 120.652 0.40 . 1 . . . . . 29 ASP N . 53382 1 208 . 1 . 1 30 30 ILE H H 1 7.813 0.04 . 1 . . . . . 30 ILE H . 53382 1 209 . 1 . 1 30 30 ILE HA H 1 3.907 0.04 . 1 . . . . . 30 ILE HA . 53382 1 210 . 1 . 1 30 30 ILE HB H 1 1.729 0.04 . 1 . . . . . 30 ILE HB . 53382 1 211 . 1 . 1 30 30 ILE C C 13 176.297 0.40 . 1 . . . . . 30 ILE C . 53382 1 212 . 1 . 1 30 30 ILE CA C 13 62.514 0.40 . 1 . . . . . 30 ILE CA . 53382 1 213 . 1 . 1 30 30 ILE CB C 13 38.279 0.40 . 1 . . . . . 30 ILE CB . 53382 1 214 . 1 . 1 30 30 ILE N N 15 120.096 0.40 . 1 . . . . . 30 ILE N . 53382 1 215 . 1 . 1 31 31 TRP H H 1 7.865 0.04 . 1 . . . . . 31 TRP H . 53382 1 216 . 1 . 1 31 31 TRP HA H 1 4.591 0.04 . 1 . . . . . 31 TRP HA . 53382 1 217 . 1 . 1 31 31 TRP HB2 H 1 3.251 0.04 . 2 . . . . . 31 TRP HB2 . 53382 1 218 . 1 . 1 31 31 TRP HB3 H 1 3.251 0.04 . 2 . . . . . 31 TRP HB3 . 53382 1 219 . 1 . 1 31 31 TRP C C 13 176.752 0.40 . 1 . . . . . 31 TRP C . 53382 1 220 . 1 . 1 31 31 TRP CA C 13 57.493 0.40 . 1 . . . . . 31 TRP CA . 53382 1 221 . 1 . 1 31 31 TRP CB C 13 29.280 0.40 . 1 . . . . . 31 TRP CB . 53382 1 222 . 1 . 1 31 31 TRP N N 15 121.794 0.40 . 1 . . . . . 31 TRP N . 53382 1 223 . 1 . 1 32 32 LYS H H 1 7.750 0.04 . 1 . . . . . 32 LYS H . 53382 1 224 . 1 . 1 32 32 LYS HA H 1 4.075 0.04 . 1 . . . . . 32 LYS HA . 53382 1 225 . 1 . 1 32 32 LYS HB2 H 1 1.621 0.04 . 2 . . . . . 32 LYS HB2 . 53382 1 226 . 1 . 1 32 32 LYS HB3 H 1 1.621 0.04 . 2 . . . . . 32 LYS HB3 . 53382 1 227 . 1 . 1 32 32 LYS C C 13 176.585 0.40 . 1 . . . . . 32 LYS C . 53382 1 228 . 1 . 1 32 32 LYS CA C 13 57.019 0.40 . 1 . . . . . 32 LYS CA . 53382 1 229 . 1 . 1 32 32 LYS CB C 13 32.751 0.40 . 1 . . . . . 32 LYS CB . 53382 1 230 . 1 . 1 32 32 LYS N N 15 121.569 0.40 . 1 . . . . . 32 LYS N . 53382 1 231 . 1 . 1 33 33 LYS H H 1 7.931 0.04 . 1 . . . . . 33 LYS H . 53382 1 232 . 1 . 1 33 33 LYS HA H 1 4.088 0.04 . 1 . . . . . 33 LYS HA . 53382 1 233 . 1 . 1 33 33 LYS HB2 H 1 1.587 0.04 . 2 . . . . . 33 LYS HB2 . 53382 1 234 . 1 . 1 33 33 LYS HB3 H 1 1.587 0.04 . 2 . . . . . 33 LYS HB3 . 53382 1 235 . 1 . 1 33 33 LYS C C 13 176.419 0.40 . 1 . . . . . 33 LYS C . 53382 1 236 . 1 . 1 33 33 LYS CA C 13 56.852 0.40 . 1 . . . . . 33 LYS CA . 53382 1 237 . 1 . 1 33 33 LYS CB C 13 32.747 0.40 . 1 . . . . . 33 LYS CB . 53382 1 238 . 1 . 1 33 33 LYS N N 15 120.782 0.40 . 1 . . . . . 33 LYS N . 53382 1 239 . 1 . 1 34 34 PHE H H 1 8.026 0.04 . 1 . . . . . 34 PHE H . 53382 1 240 . 1 . 1 34 34 PHE HA H 1 4.360 0.04 . 1 . . . . . 34 PHE HA . 53382 1 241 . 1 . 1 34 34 PHE HB2 H 1 2.912 0.04 . 2 . . . . . 34 PHE HB2 . 53382 1 242 . 1 . 1 34 34 PHE HB3 H 1 2.912 0.04 . 2 . . . . . 34 PHE HB3 . 53382 1 243 . 1 . 1 34 34 PHE C C 13 175.740 0.40 . 1 . . . . . 34 PHE C . 53382 1 244 . 1 . 1 34 34 PHE CA C 13 58.619 0.40 . 1 . . . . . 34 PHE CA . 53382 1 245 . 1 . 1 34 34 PHE CB C 13 38.384 0.40 . 1 . . . . . 34 PHE CB . 53382 1 246 . 1 . 1 34 34 PHE N N 15 120.191 0.40 . 1 . . . . . 34 PHE N . 53382 1 247 . 1 . 1 35 35 GLU H H 1 7.904 0.04 . 1 . . . . . 35 GLU H . 53382 1 248 . 1 . 1 35 35 GLU HA H 1 4.201 0.04 . 1 . . . . . 35 GLU HA . 53382 1 249 . 1 . 1 35 35 GLU HB2 H 1 1.907 0.04 . 2 . . . . . 35 GLU HB2 . 53382 1 250 . 1 . 1 35 35 GLU HB3 H 1 1.907 0.04 . 2 . . . . . 35 GLU HB3 . 53382 1 251 . 1 . 1 35 35 GLU C C 13 175.723 0.40 . 1 . . . . . 35 GLU C . 53382 1 252 . 1 . 1 35 35 GLU CA C 13 56.254 0.40 . 1 . . . . . 35 GLU CA . 53382 1 253 . 1 . 1 35 35 GLU CB C 13 30.680 0.40 . 1 . . . . . 35 GLU CB . 53382 1 254 . 1 . 1 35 35 GLU N N 15 121.880 0.40 . 1 . . . . . 35 GLU N . 53382 1 255 . 1 . 1 36 36 LEU H H 1 8.193 0.04 . 1 . . . . . 36 LEU H . 53382 1 256 . 1 . 1 36 36 LEU HA H 1 4.261 0.04 . 1 . . . . . 36 LEU HA . 53382 1 257 . 1 . 1 36 36 LEU HB2 H 1 1.563 0.04 . 2 . . . . . 36 LEU HB2 . 53382 1 258 . 1 . 1 36 36 LEU HB3 H 1 1.563 0.04 . 2 . . . . . 36 LEU HB3 . 53382 1 259 . 1 . 1 36 36 LEU C C 13 176.923 0.40 . 1 . . . . . 36 LEU C . 53382 1 260 . 1 . 1 36 36 LEU CA C 13 55.141 0.40 . 1 . . . . . 36 LEU CA . 53382 1 261 . 1 . 1 36 36 LEU CB C 13 42.339 0.40 . 1 . . . . . 36 LEU CB . 53382 1 262 . 1 . 1 36 36 LEU N N 15 123.171 0.40 . 1 . . . . . 36 LEU N . 53382 1 263 . 1 . 1 37 37 VAL H H 1 8.134 0.04 . 1 . . . . . 37 VAL H . 53382 1 264 . 1 . 1 37 37 VAL CA C 13 59.753 0.40 . 1 . . . . . 37 VAL CA . 53382 1 265 . 1 . 1 37 37 VAL CB C 13 32.586 0.40 . 1 . . . . . 37 VAL CB . 53382 1 266 . 1 . 1 37 37 VAL N N 15 122.903 0.40 . 1 . . . . . 37 VAL N . 53382 1 267 . 1 . 1 38 38 PRO HA H 1 4.359 0.04 . 1 . . . . . 38 PRO HA . 53382 1 268 . 1 . 1 38 38 PRO HB2 H 1 2.221 0.04 . 2 . . . . . 38 PRO HB2 . 53382 1 269 . 1 . 1 38 38 PRO HB3 H 1 1.826 0.04 . 2 . . . . . 38 PRO HB3 . 53382 1 270 . 1 . 1 38 38 PRO C C 13 176.612 0.40 . 1 . . . . . 38 PRO C . 53382 1 271 . 1 . 1 38 38 PRO CA C 13 63.016 0.40 . 1 . . . . . 38 PRO CA . 53382 1 272 . 1 . 1 38 38 PRO CB C 13 32.319 0.40 . 1 . . . . . 38 PRO CB . 53382 1 273 . 1 . 1 39 39 SER H H 1 8.404 0.04 . 1 . . . . . 39 SER H . 53382 1 274 . 1 . 1 39 39 SER CA C 13 56.603 0.40 . 1 . . . . . 39 SER CA . 53382 1 275 . 1 . 1 39 39 SER CB C 13 63.158 0.40 . 1 . . . . . 39 SER CB . 53382 1 276 . 1 . 1 39 39 SER N N 15 117.960 0.40 . 1 . . . . . 39 SER N . 53382 1 277 . 1 . 1 41 41 PRO HA H 1 4.466 0.04 . 1 . . . . . 41 PRO HA . 53382 1 278 . 1 . 1 41 41 PRO HB2 H 1 2.282 0.04 . 2 . . . . . 41 PRO HB2 . 53382 1 279 . 1 . 1 41 41 PRO HB3 H 1 1.906 0.04 . 2 . . . . . 41 PRO HB3 . 53382 1 280 . 1 . 1 41 41 PRO C C 13 177.061 0.40 . 1 . . . . . 41 PRO C . 53382 1 281 . 1 . 1 41 41 PRO CA C 13 63.000 0.40 . 1 . . . . . 41 PRO CA . 53382 1 282 . 1 . 1 41 41 PRO CB C 13 32.200 0.40 . 1 . . . . . 41 PRO CB . 53382 1 283 . 1 . 1 42 42 THR H H 1 8.236 0.04 . 1 . . . . . 42 THR H . 53382 1 284 . 1 . 1 42 42 THR HA H 1 4.327 0.04 . 1 . . . . . 42 THR HA . 53382 1 285 . 1 . 1 42 42 THR HB H 1 4.236 0.04 . 1 . . . . . 42 THR HB . 53382 1 286 . 1 . 1 42 42 THR C C 13 174.393 0.40 . 1 . . . . . 42 THR C . 53382 1 287 . 1 . 1 42 42 THR CA C 13 61.691 0.40 . 1 . . . . . 42 THR CA . 53382 1 288 . 1 . 1 42 42 THR CB C 13 69.922 0.40 . 1 . . . . . 42 THR CB . 53382 1 289 . 1 . 1 42 42 THR N N 15 114.088 0.40 . 1 . . . . . 42 THR N . 53382 1 290 . 1 . 1 43 43 SER H H 1 8.256 0.04 . 1 . . . . . 43 SER H . 53382 1 291 . 1 . 1 43 43 SER CA C 13 56.710 0.40 . 1 . . . . . 43 SER CA . 53382 1 292 . 1 . 1 43 43 SER CB C 13 63.289 0.40 . 1 . . . . . 43 SER CB . 53382 1 293 . 1 . 1 43 43 SER N N 15 119.399 0.40 . 1 . . . . . 43 SER N . 53382 1 294 . 1 . 1 45 45 PRO HA H 1 4.330 0.04 . 1 . . . . . 45 PRO HA . 53382 1 295 . 1 . 1 45 45 PRO HB2 H 1 2.180 0.04 . 2 . . . . . 45 PRO HB2 . 53382 1 296 . 1 . 1 45 45 PRO HB3 H 1 1.814 0.04 . 2 . . . . . 45 PRO HB3 . 53382 1 297 . 1 . 1 45 45 PRO C C 13 176.508 0.40 . 1 . . . . . 45 PRO C . 53382 1 298 . 1 . 1 45 45 PRO CA C 13 63.409 0.40 . 1 . . . . . 45 PRO CA . 53382 1 299 . 1 . 1 45 45 PRO CB C 13 31.706 0.40 . 1 . . . . . 45 PRO CB . 53382 1 300 . 1 . 1 46 46 TRP H H 1 7.725 0.04 . 1 . . . . . 46 TRP H . 53382 1 301 . 1 . 1 46 46 TRP HA H 1 4.601 0.04 . 1 . . . . . 46 TRP HA . 53382 1 302 . 1 . 1 46 46 TRP HB2 H 1 3.257 0.04 . 2 . . . . . 46 TRP HB2 . 53382 1 303 . 1 . 1 46 46 TRP HB3 H 1 3.257 0.04 . 2 . . . . . 46 TRP HB3 . 53382 1 304 . 1 . 1 46 46 TRP C C 13 176.712 0.40 . 1 . . . . . 46 TRP C . 53382 1 305 . 1 . 1 46 46 TRP CA C 13 57.339 0.40 . 1 . . . . . 46 TRP CA . 53382 1 306 . 1 . 1 46 46 TRP CB C 13 29.340 0.40 . 1 . . . . . 46 TRP CB . 53382 1 307 . 1 . 1 46 46 TRP N N 15 119.068 0.40 . 1 . . . . . 46 TRP N . 53382 1 308 . 1 . 1 47 47 GLY H H 1 8.014 0.04 . 1 . . . . . 47 GLY H . 53382 1 309 . 1 . 1 47 47 GLY HA2 H 1 3.763 0.04 . 2 . . . . . 47 GLY HA2 . 53382 1 310 . 1 . 1 47 47 GLY HA3 H 1 3.763 0.04 . 2 . . . . . 47 GLY HA3 . 53382 1 311 . 1 . 1 47 47 GLY C C 13 173.566 0.40 . 1 . . . . . 47 GLY C . 53382 1 312 . 1 . 1 47 47 GLY CA C 13 45.362 0.40 . 1 . . . . . 47 GLY CA . 53382 1 313 . 1 . 1 47 47 GLY N N 15 110.574 0.40 . 1 . . . . . 47 GLY N . 53382 1 314 . 1 . 1 48 48 LEU H H 1 8.010 0.04 . 1 . . . . . 48 LEU H . 53382 1 315 . 1 . 1 48 48 LEU HA H 1 4.353 0.04 . 1 . . . . . 48 LEU HA . 53382 1 316 . 1 . 1 48 48 LEU HB2 H 1 1.563 0.04 . 2 . . . . . 48 LEU HB2 . 53382 1 317 . 1 . 1 48 48 LEU HB3 H 1 1.563 0.04 . 2 . . . . . 48 LEU HB3 . 53382 1 318 . 1 . 1 48 48 LEU C C 13 177.585 0.40 . 1 . . . . . 48 LEU C . 53382 1 319 . 1 . 1 48 48 LEU CA C 13 54.790 0.40 . 1 . . . . . 48 LEU CA . 53382 1 320 . 1 . 1 48 48 LEU CB C 13 42.676 0.40 . 1 . . . . . 48 LEU CB . 53382 1 321 . 1 . 1 48 48 LEU N N 15 120.996 0.40 . 1 . . . . . 48 LEU N . 53382 1 322 . 1 . 1 49 49 GLY H H 1 8.259 0.04 . 1 . . . . . 49 GLY H . 53382 1 323 . 1 . 1 49 49 GLY CA C 13 44.496 0.40 . 1 . . . . . 49 GLY CA . 53382 1 324 . 1 . 1 49 49 GLY N N 15 109.524 0.40 . 1 . . . . . 49 GLY N . 53382 1 325 . 1 . 1 50 50 PRO HA H 1 4.377 0.04 . 1 . . . . . 50 PRO HA . 53382 1 326 . 1 . 1 50 50 PRO HB2 H 1 2.234 0.04 . 2 . . . . . 50 PRO HB2 . 53382 1 327 . 1 . 1 50 50 PRO HB3 H 1 1.934 0.04 . 2 . . . . . 50 PRO HB3 . 53382 1 328 . 1 . 1 50 50 PRO C C 13 177.872 0.40 . 1 . . . . . 50 PRO C . 53382 1 329 . 1 . 1 50 50 PRO CA C 13 63.502 0.40 . 1 . . . . . 50 PRO CA . 53382 1 330 . 1 . 1 50 50 PRO CB C 13 32.186 0.40 . 1 . . . . . 50 PRO CB . 53382 1 331 . 1 . 1 51 51 GLY H H 1 8.596 0.04 . 1 . . . . . 51 GLY H . 53382 1 332 . 1 . 1 51 51 GLY HA2 H 1 3.867 0.04 . 2 . . . . . 51 GLY HA2 . 53382 1 333 . 1 . 1 51 51 GLY HA3 H 1 3.867 0.04 . 2 . . . . . 51 GLY HA3 . 53382 1 334 . 1 . 1 51 51 GLY C C 13 174.048 0.40 . 1 . . . . . 51 GLY C . 53382 1 335 . 1 . 1 51 51 GLY CA C 13 45.228 0.40 . 1 . . . . . 51 GLY CA . 53382 1 336 . 1 . 1 51 51 GLY N N 15 110.164 0.40 . 1 . . . . . 51 GLY N . 53382 1 337 . 1 . 1 52 52 ALA H H 1 8.059 0.04 . 1 . . . . . 52 ALA H . 53382 1 338 . 1 . 1 52 52 ALA HA H 1 4.244 0.04 . 1 . . . . . 52 ALA HA . 53382 1 339 . 1 . 1 52 52 ALA HB1 H 1 1.333 0.04 . 1 . . . . . 52 ALA HB . 53382 1 340 . 1 . 1 52 52 ALA HB2 H 1 1.333 0.04 . 1 . . . . . 52 ALA HB . 53382 1 341 . 1 . 1 52 52 ALA HB3 H 1 1.333 0.04 . 1 . . . . . 52 ALA HB . 53382 1 342 . 1 . 1 52 52 ALA C C 13 178.071 0.40 . 1 . . . . . 52 ALA C . 53382 1 343 . 1 . 1 52 52 ALA CA C 13 52.870 0.40 . 1 . . . . . 52 ALA CA . 53382 1 344 . 1 . 1 52 52 ALA CB C 13 19.543 0.40 . 1 . . . . . 52 ALA CB . 53382 1 345 . 1 . 1 52 52 ALA N N 15 123.640 0.40 . 1 . . . . . 52 ALA N . 53382 1 346 . 1 . 1 53 53 GLY H H 1 8.341 0.04 . 1 . . . . . 53 GLY H . 53382 1 347 . 1 . 1 53 53 GLY HA2 H 1 3.875 0.04 . 2 . . . . . 53 GLY HA2 . 53382 1 348 . 1 . 1 53 53 GLY HA3 H 1 3.871 0.04 . 2 . . . . . 53 GLY HA3 . 53382 1 349 . 1 . 1 53 53 GLY C C 13 173.479 0.40 . 1 . . . . . 53 GLY C . 53382 1 350 . 1 . 1 53 53 GLY CA C 13 44.904 0.40 . 1 . . . . . 53 GLY CA . 53382 1 351 . 1 . 1 53 53 GLY N N 15 108.011 0.40 . 1 . . . . . 53 GLY N . 53382 1 352 . 1 . 1 54 54 ASP H H 1 8.128 0.04 . 1 . . . . . 54 ASP H . 53382 1 353 . 1 . 1 54 54 ASP CA C 13 52.723 0.40 . 1 . . . . . 54 ASP CA . 53382 1 354 . 1 . 1 54 54 ASP CB C 13 40.588 0.40 . 1 . . . . . 54 ASP CB . 53382 1 355 . 1 . 1 54 54 ASP N N 15 121.924 0.40 . 1 . . . . . 54 ASP N . 53382 1 356 . 1 . 1 55 55 PRO HA H 1 4.368 0.04 . 1 . . . . . 55 PRO HA . 53382 1 357 . 1 . 1 55 55 PRO HB2 H 1 2.187 0.04 . 2 . . . . . 55 PRO HB2 . 53382 1 358 . 1 . 1 55 55 PRO HB3 H 1 1.890 0.04 . 2 . . . . . 55 PRO HB3 . 53382 1 359 . 1 . 1 55 55 PRO C C 13 176.305 0.40 . 1 . . . . . 55 PRO C . 53382 1 360 . 1 . 1 55 55 PRO CA C 13 62.908 0.40 . 1 . . . . . 55 PRO CA . 53382 1 361 . 1 . 1 55 55 PRO CB C 13 31.969 0.40 . 1 . . . . . 55 PRO CB . 53382 1 362 . 1 . 1 56 56 ALA H H 1 8.430 0.04 . 1 . . . . . 56 ALA H . 53382 1 363 . 1 . 1 56 56 ALA CA C 13 50.442 0.40 . 1 . . . . . 56 ALA CA . 53382 1 364 . 1 . 1 56 56 ALA CB C 13 18.138 0.40 . 1 . . . . . 56 ALA CB . 53382 1 365 . 1 . 1 56 56 ALA N N 15 125.822 0.40 . 1 . . . . . 56 ALA N . 53382 1 366 . 1 . 1 57 57 PRO HA H 1 4.377 0.04 . 1 . . . . . 57 PRO HA . 53382 1 367 . 1 . 1 57 57 PRO HB2 H 1 2.263 0.04 . 2 . . . . . 57 PRO HB2 . 53382 1 368 . 1 . 1 57 57 PRO HB3 H 1 1.907 0.04 . 2 . . . . . 57 PRO HB3 . 53382 1 369 . 1 . 1 57 57 PRO C C 13 177.616 0.40 . 1 . . . . . 57 PRO C . 53382 1 370 . 1 . 1 57 57 PRO CA C 13 63.323 0.40 . 1 . . . . . 57 PRO CA . 53382 1 371 . 1 . 1 57 57 PRO CB C 13 32.235 0.40 . 1 . . . . . 57 PRO CB . 53382 1 372 . 1 . 1 58 58 GLY H H 1 8.448 0.04 . 1 . . . . . 58 GLY H . 53382 1 373 . 1 . 1 58 58 GLY HA2 H 1 3.914 0.04 . 2 . . . . . 58 GLY HA2 . 53382 1 374 . 1 . 1 58 58 GLY HA3 H 1 3.914 0.04 . 2 . . . . . 58 GLY HA3 . 53382 1 375 . 1 . 1 58 58 GLY C C 13 173.979 0.40 . 1 . . . . . 58 GLY C . 53382 1 376 . 1 . 1 58 58 GLY CA C 13 45.265 0.40 . 1 . . . . . 58 GLY CA . 53382 1 377 . 1 . 1 58 58 GLY N N 15 109.318 0.40 . 1 . . . . . 58 GLY N . 53382 1 378 . 1 . 1 59 59 ILE H H 1 7.971 0.04 . 1 . . . . . 59 ILE H . 53382 1 379 . 1 . 1 59 59 ILE HA H 1 4.233 0.04 . 1 . . . . . 59 ILE HA . 53382 1 380 . 1 . 1 59 59 ILE HB H 1 1.897 0.04 . 1 . . . . . 59 ILE HB . 53382 1 381 . 1 . 1 59 59 ILE C C 13 176.410 0.40 . 1 . . . . . 59 ILE C . 53382 1 382 . 1 . 1 59 59 ILE CA C 13 61.081 0.40 . 1 . . . . . 59 ILE CA . 53382 1 383 . 1 . 1 59 59 ILE CB C 13 38.719 0.40 . 1 . . . . . 59 ILE CB . 53382 1 384 . 1 . 1 59 59 ILE N N 15 119.707 0.40 . 1 . . . . . 59 ILE N . 53382 1 385 . 1 . 1 60 60 GLY H H 1 8.343 0.04 . 1 . . . . . 60 GLY H . 53382 1 386 . 1 . 1 60 60 GLY CA C 13 44.431 0.40 . 1 . . . . . 60 GLY CA . 53382 1 387 . 1 . 1 60 60 GLY N N 15 113.162 0.40 . 1 . . . . . 60 GLY N . 53382 1 388 . 1 . 1 62 62 PRO HA H 1 4.434 0.04 . 1 . . . . . 62 PRO HA . 53382 1 389 . 1 . 1 62 62 PRO HB2 H 1 2.221 0.04 . 2 . . . . . 62 PRO HB2 . 53382 1 390 . 1 . 1 62 62 PRO HB3 H 1 1.896 0.04 . 2 . . . . . 62 PRO HB3 . 53382 1 391 . 1 . 1 62 62 PRO C C 13 176.669 0.40 . 1 . . . . . 62 PRO C . 53382 1 392 . 1 . 1 62 62 PRO CA C 13 62.745 0.40 . 1 . . . . . 62 PRO CA . 53382 1 393 . 1 . 1 62 62 PRO CB C 13 32.050 0.40 . 1 . . . . . 62 PRO CB . 53382 1 394 . 1 . 1 63 63 GLU H H 1 8.374 0.04 . 1 . . . . . 63 GLU H . 53382 1 395 . 1 . 1 63 63 GLU CA C 13 54.245 0.40 . 1 . . . . . 63 GLU CA . 53382 1 396 . 1 . 1 63 63 GLU CB C 13 29.729 0.40 . 1 . . . . . 63 GLU CB . 53382 1 397 . 1 . 1 63 63 GLU N N 15 122.119 0.40 . 1 . . . . . 63 GLU N . 53382 1 398 . 1 . 1 64 64 PRO HA H 1 4.345 0.04 . 1 . . . . . 64 PRO HA . 53382 1 399 . 1 . 1 64 64 PRO HB2 H 1 2.152 0.04 . 2 . . . . . 64 PRO HB2 . 53382 1 400 . 1 . 1 64 64 PRO HB3 H 1 1.693 0.04 . 2 . . . . . 64 PRO HB3 . 53382 1 401 . 1 . 1 64 64 PRO C C 13 176.330 0.40 . 1 . . . . . 64 PRO C . 53382 1 402 . 1 . 1 64 64 PRO CA C 13 62.967 0.40 . 1 . . . . . 64 PRO CA . 53382 1 403 . 1 . 1 64 64 PRO CB C 13 31.978 0.40 . 1 . . . . . 64 PRO CB . 53382 1 404 . 1 . 1 65 65 TRP H H 1 8.299 0.04 . 1 . . . . . 65 TRP H . 53382 1 405 . 1 . 1 65 65 TRP CA C 13 54.645 0.40 . 1 . . . . . 65 TRP CA . 53382 1 406 . 1 . 1 65 65 TRP CB C 13 28.967 0.40 . 1 . . . . . 65 TRP CB . 53382 1 407 . 1 . 1 65 65 TRP N N 15 122.620 0.40 . 1 . . . . . 65 TRP N . 53382 1 408 . 1 . 1 66 66 PRO HA H 1 4.366 0.04 . 1 . . . . . 66 PRO HA . 53382 1 409 . 1 . 1 66 66 PRO HB2 H 1 2.176 0.04 . 2 . . . . . 66 PRO HB2 . 53382 1 410 . 1 . 1 66 66 PRO HB3 H 1 1.891 0.04 . 2 . . . . . 66 PRO HB3 . 53382 1 411 . 1 . 1 66 66 PRO C C 13 177.393 0.40 . 1 . . . . . 66 PRO C . 53382 1 412 . 1 . 1 66 66 PRO CA C 13 63.684 0.40 . 1 . . . . . 66 PRO CA . 53382 1 413 . 1 . 1 66 66 PRO CB C 13 31.880 0.40 . 1 . . . . . 66 PRO CB . 53382 1 414 . 1 . 1 67 67 GLY H H 1 7.746 0.04 . 1 . . . . . 67 GLY H . 53382 1 415 . 1 . 1 67 67 GLY HA2 H 1 3.775 0.04 . 2 . . . . . 67 GLY HA2 . 53382 1 416 . 1 . 1 67 67 GLY HA3 H 1 3.775 0.04 . 2 . . . . . 67 GLY HA3 . 53382 1 417 . 1 . 1 67 67 GLY C C 13 174.601 0.40 . 1 . . . . . 67 GLY C . 53382 1 418 . 1 . 1 67 67 GLY CA C 13 45.306 0.40 . 1 . . . . . 67 GLY CA . 53382 1 419 . 1 . 1 67 67 GLY N N 15 108.690 0.40 . 1 . . . . . 67 GLY N . 53382 1 420 . 1 . 1 68 68 GLY H H 1 8.193 0.04 . 1 . . . . . 68 GLY H . 53382 1 421 . 1 . 1 68 68 GLY HA2 H 1 3.940 0.04 . 2 . . . . . 68 GLY HA2 . 53382 1 422 . 1 . 1 68 68 GLY HA3 H 1 3.940 0.04 . 2 . . . . . 68 GLY HA3 . 53382 1 423 . 1 . 1 68 68 GLY C C 13 173.988 0.40 . 1 . . . . . 68 GLY C . 53382 1 424 . 1 . 1 68 68 GLY CA C 13 45.141 0.40 . 1 . . . . . 68 GLY CA . 53382 1 425 . 1 . 1 68 68 GLY N N 15 108.652 0.40 . 1 . . . . . 68 GLY N . 53382 1 426 . 1 . 1 69 69 CYS H H 1 8.362 0.04 . 1 . . . . . 69 CYS H . 53382 1 427 . 1 . 1 69 69 CYS HA H 1 4.593 0.04 . 1 . . . . . 69 CYS HA . 53382 1 428 . 1 . 1 69 69 CYS HB2 H 1 2.896 0.04 . 2 . . . . . 69 CYS HB2 . 53382 1 429 . 1 . 1 69 69 CYS HB3 H 1 2.896 0.04 . 2 . . . . . 69 CYS HB3 . 53382 1 430 . 1 . 1 69 69 CYS C C 13 175.006 0.40 . 1 . . . . . 69 CYS C . 53382 1 431 . 1 . 1 69 69 CYS CA C 13 58.406 0.40 . 1 . . . . . 69 CYS CA . 53382 1 432 . 1 . 1 69 69 CYS CB C 13 28.110 0.40 . 1 . . . . . 69 CYS CB . 53382 1 433 . 1 . 1 69 69 CYS N N 15 119.070 0.40 . 1 . . . . . 69 CYS N . 53382 1 434 . 1 . 1 70 70 THR H H 1 8.503 0.04 . 1 . . . . . 70 THR H . 53382 1 435 . 1 . 1 70 70 THR HA H 1 4.341 0.04 . 1 . . . . . 70 THR HA . 53382 1 436 . 1 . 1 70 70 THR HB H 1 4.241 0.04 . 1 . . . . . 70 THR HB . 53382 1 437 . 1 . 1 70 70 THR C C 13 175.174 0.40 . 1 . . . . . 70 THR C . 53382 1 438 . 1 . 1 70 70 THR CA C 13 62.084 0.40 . 1 . . . . . 70 THR CA . 53382 1 439 . 1 . 1 70 70 THR CB C 13 69.934 0.40 . 1 . . . . . 70 THR CB . 53382 1 440 . 1 . 1 70 70 THR N N 15 116.337 0.40 . 1 . . . . . 70 THR N . 53382 1 441 . 1 . 1 71 71 GLY H H 1 8.450 0.04 . 1 . . . . . 71 GLY H . 53382 1 442 . 1 . 1 71 71 GLY HA2 H 1 3.941 0.04 . 2 . . . . . 71 GLY HA2 . 53382 1 443 . 1 . 1 71 71 GLY HA3 H 1 3.941 0.04 . 2 . . . . . 71 GLY HA3 . 53382 1 444 . 1 . 1 71 71 GLY C C 13 174.046 0.40 . 1 . . . . . 71 GLY C . 53382 1 445 . 1 . 1 71 71 GLY CA C 13 45.399 0.40 . 1 . . . . . 71 GLY CA . 53382 1 446 . 1 . 1 71 71 GLY N N 15 111.473 0.40 . 1 . . . . . 71 GLY N . 53382 1 447 . 1 . 1 72 72 ASP H H 1 8.258 0.04 . 1 . . . . . 72 ASP H . 53382 1 448 . 1 . 1 72 72 ASP HA H 1 4.569 0.04 . 1 . . . . . 72 ASP HA . 53382 1 449 . 1 . 1 72 72 ASP HB2 H 1 2.638 0.04 . 2 . . . . . 72 ASP HB2 . 53382 1 450 . 1 . 1 72 72 ASP HB3 H 1 2.638 0.04 . 2 . . . . . 72 ASP HB3 . 53382 1 451 . 1 . 1 72 72 ASP C C 13 176.814 0.40 . 1 . . . . . 72 ASP C . 53382 1 452 . 1 . 1 72 72 ASP CA C 13 54.633 0.40 . 1 . . . . . 72 ASP CA . 53382 1 453 . 1 . 1 72 72 ASP CB C 13 41.208 0.40 . 1 . . . . . 72 ASP CB . 53382 1 454 . 1 . 1 72 72 ASP N N 15 120.859 0.40 . 1 . . . . . 72 ASP N . 53382 1 455 . 1 . 1 73 73 GLU H H 1 8.534 0.04 . 1 . . . . . 73 GLU H . 53382 1 456 . 1 . 1 73 73 GLU HA H 1 4.164 0.04 . 1 . . . . . 73 GLU HA . 53382 1 457 . 1 . 1 73 73 GLU HB2 H 1 2.002 0.04 . 2 . . . . . 73 GLU HB2 . 53382 1 458 . 1 . 1 73 73 GLU HB3 H 1 2.002 0.04 . 2 . . . . . 73 GLU HB3 . 53382 1 459 . 1 . 1 73 73 GLU C C 13 176.925 0.40 . 1 . . . . . 73 GLU C . 53382 1 460 . 1 . 1 73 73 GLU CA C 13 57.425 0.40 . 1 . . . . . 73 GLU CA . 53382 1 461 . 1 . 1 73 73 GLU CB C 13 29.855 0.40 . 1 . . . . . 73 GLU CB . 53382 1 462 . 1 . 1 73 73 GLU N N 15 121.694 0.40 . 1 . . . . . 73 GLU N . 53382 1 463 . 1 . 1 74 74 ALA H H 1 8.294 0.04 . 1 . . . . . 74 ALA H . 53382 1 464 . 1 . 1 74 74 ALA HA H 1 4.175 0.04 . 1 . . . . . 74 ALA HA . 53382 1 465 . 1 . 1 74 74 ALA HB1 H 1 1.375 0.04 . 1 . . . . . 74 ALA HB . 53382 1 466 . 1 . 1 74 74 ALA HB2 H 1 1.375 0.04 . 1 . . . . . 74 ALA HB . 53382 1 467 . 1 . 1 74 74 ALA HB3 H 1 1.375 0.04 . 1 . . . . . 74 ALA HB . 53382 1 468 . 1 . 1 74 74 ALA C C 13 178.567 0.40 . 1 . . . . . 74 ALA C . 53382 1 469 . 1 . 1 74 74 ALA CA C 13 53.451 0.40 . 1 . . . . . 74 ALA CA . 53382 1 470 . 1 . 1 74 74 ALA CB C 13 19.049 0.40 . 1 . . . . . 74 ALA CB . 53382 1 471 . 1 . 1 74 74 ALA N N 15 123.946 0.40 . 1 . . . . . 74 ALA N . 53382 1 472 . 1 . 1 75 75 GLU H H 1 8.279 0.04 . 1 . . . . . 75 GLU H . 53382 1 473 . 1 . 1 75 75 GLU HA H 1 4.200 0.04 . 1 . . . . . 75 GLU HA . 53382 1 474 . 1 . 1 75 75 GLU HB2 H 1 2.015 0.04 . 2 . . . . . 75 GLU HB2 . 53382 1 475 . 1 . 1 75 75 GLU HB3 H 1 2.015 0.04 . 2 . . . . . 75 GLU HB3 . 53382 1 476 . 1 . 1 75 75 GLU C C 13 177.082 0.40 . 1 . . . . . 75 GLU C . 53382 1 477 . 1 . 1 75 75 GLU CA C 13 57.291 0.40 . 1 . . . . . 75 GLU CA . 53382 1 478 . 1 . 1 75 75 GLU CB C 13 30.027 0.40 . 1 . . . . . 75 GLU CB . 53382 1 479 . 1 . 1 75 75 GLU N N 15 119.097 0.40 . 1 . . . . . 75 GLU N . 53382 1 480 . 1 . 1 76 76 SER H H 1 8.208 0.04 . 1 . . . . . 76 SER H . 53382 1 481 . 1 . 1 76 76 SER HA H 1 4.362 0.04 . 1 . . . . . 76 SER HA . 53382 1 482 . 1 . 1 76 76 SER HB2 H 1 3.865 0.04 . 2 . . . . . 76 SER HB2 . 53382 1 483 . 1 . 1 76 76 SER HB3 H 1 3.865 0.04 . 2 . . . . . 76 SER HB3 . 53382 1 484 . 1 . 1 76 76 SER C C 13 175.012 0.40 . 1 . . . . . 76 SER C . 53382 1 485 . 1 . 1 76 76 SER CA C 13 58.831 0.40 . 1 . . . . . 76 SER CA . 53382 1 486 . 1 . 1 76 76 SER CB C 13 63.608 0.40 . 1 . . . . . 76 SER CB . 53382 1 487 . 1 . 1 76 76 SER N N 15 116.089 0.40 . 1 . . . . . 76 SER N . 53382 1 488 . 1 . 1 77 77 ARG H H 1 8.227 0.04 . 1 . . . . . 77 ARG H . 53382 1 489 . 1 . 1 77 77 ARG HA H 1 4.307 0.04 . 1 . . . . . 77 ARG HA . 53382 1 490 . 1 . 1 77 77 ARG HB2 H 1 1.793 0.04 . 2 . . . . . 77 ARG HB2 . 53382 1 491 . 1 . 1 77 77 ARG HB3 H 1 1.793 0.04 . 2 . . . . . 77 ARG HB3 . 53382 1 492 . 1 . 1 77 77 ARG C C 13 176.928 0.40 . 1 . . . . . 77 ARG C . 53382 1 493 . 1 . 1 77 77 ARG CA C 13 56.521 0.40 . 1 . . . . . 77 ARG CA . 53382 1 494 . 1 . 1 77 77 ARG CB C 13 30.676 0.40 . 1 . . . . . 77 ARG CB . 53382 1 495 . 1 . 1 77 77 ARG N N 15 122.596 0.40 . 1 . . . . . 77 ARG N . 53382 1 496 . 1 . 1 78 78 GLY H H 1 8.303 0.04 . 1 . . . . . 78 GLY H . 53382 1 497 . 1 . 1 78 78 GLY HA2 H 1 3.882 0.04 . 2 . . . . . 78 GLY HA2 . 53382 1 498 . 1 . 1 78 78 GLY HA3 H 1 3.882 0.04 . 2 . . . . . 78 GLY HA3 . 53382 1 499 . 1 . 1 78 78 GLY C C 13 173.884 0.40 . 1 . . . . . 78 GLY C . 53382 1 500 . 1 . 1 78 78 GLY CA C 13 45.355 0.40 . 1 . . . . . 78 GLY CA . 53382 1 501 . 1 . 1 78 78 GLY N N 15 109.029 0.40 . 1 . . . . . 78 GLY N . 53382 1 502 . 1 . 1 79 79 HIS H H 1 8.196 0.04 . 1 . . . . . 79 HIS H . 53382 1 503 . 1 . 1 79 79 HIS HA H 1 4.715 0.04 . 1 . . . . . 79 HIS HA . 53382 1 504 . 1 . 1 79 79 HIS HB2 H 1 3.148 0.04 . 2 . . . . . 79 HIS HB2 . 53382 1 505 . 1 . 1 79 79 HIS HB3 H 1 3.148 0.04 . 2 . . . . . 79 HIS HB3 . 53382 1 506 . 1 . 1 79 79 HIS C C 13 174.903 0.40 . 1 . . . . . 79 HIS C . 53382 1 507 . 1 . 1 79 79 HIS CA C 13 55.723 0.40 . 1 . . . . . 79 HIS CA . 53382 1 508 . 1 . 1 79 79 HIS CB C 13 30.107 0.40 . 1 . . . . . 79 HIS CB . 53382 1 509 . 1 . 1 79 79 HIS N N 15 118.703 0.40 . 1 . . . . . 79 HIS N . 53382 1 510 . 1 . 1 80 80 SER H H 1 8.393 0.04 . 1 . . . . . 80 SER H . 53382 1 511 . 1 . 1 80 80 SER HA H 1 4.441 0.04 . 1 . . . . . 80 SER HA . 53382 1 512 . 1 . 1 80 80 SER HB2 H 1 3.855 0.04 . 2 . . . . . 80 SER HB2 . 53382 1 513 . 1 . 1 80 80 SER HB3 H 1 3.855 0.04 . 2 . . . . . 80 SER HB3 . 53382 1 514 . 1 . 1 80 80 SER C C 13 173.517 0.40 . 1 . . . . . 80 SER C . 53382 1 515 . 1 . 1 80 80 SER CA C 13 58.602 0.40 . 1 . . . . . 80 SER CA . 53382 1 516 . 1 . 1 80 80 SER CB C 13 64.036 0.40 . 1 . . . . . 80 SER CB . 53382 1 517 . 1 . 1 80 80 SER N N 15 117.900 0.40 . 1 . . . . . 80 SER N . 53382 1 518 . 1 . 1 81 81 LYS H H 1 8.100 0.04 . 1 . . . . . 81 LYS H . 53382 1 519 . 1 . 1 81 81 LYS CA C 13 57.894 0.40 . 1 . . . . . 81 LYS CA . 53382 1 520 . 1 . 1 81 81 LYS CB C 13 33.545 0.40 . 1 . . . . . 81 LYS CB . 53382 1 521 . 1 . 1 81 81 LYS N N 15 128.297 0.40 . 1 . . . . . 81 LYS N . 53382 1 stop_ save_