################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4958 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 HNCA . . . 4958 1 2 CBCA(CO)NH . . . 4958 1 3 1H-15N-HSQC . . . 4958 1 4 '1H-15N-NOESY HSQC' . . . 4958 1 5 '1H-15N-TOCSY HSQC' . . . 4958 1 6 HNCO . . . 4958 1 7 HACACO . . . 4958 1 8 HCCH-TOCSY . . . 4958 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 2 2 TYR C C 13 175.42 0.20 . 1 . . . . 2 Y C . 4958 1 2 . 1 1 2 2 TYR CA C 13 57.75 0.20 . 1 . . . . 2 Y CA . 4958 1 3 . 1 1 2 2 TYR CB C 13 40.12 0.20 . 1 . . . . 2 Y CB . 4958 1 4 . 1 1 3 3 TYR H H 1 7.64 0.02 . 1 . . . . 3 Y HN . 4958 1 5 . 1 1 3 3 TYR HA H 1 4.77 0.05 . 1 . . . . 3 Y HA . 4958 1 6 . 1 1 3 3 TYR C C 13 176.10 0.20 . 1 . . . . 3 Y C . 4958 1 7 . 1 1 3 3 TYR CA C 13 59.30 0.20 . 1 . . . . 3 Y CA . 4958 1 8 . 1 1 3 3 TYR N N 15 115.11 0.33 . 1 . . . . 3 Y N . 4958 1 9 . 1 1 5 5 HIS HA H 1 3.97 0.05 . 1 . . . . 5 H HA . 4958 1 10 . 1 1 5 5 HIS HB2 H 1 3.11 0.05 . 2 . . . . 5 H HB2 . 4958 1 11 . 1 1 5 5 HIS HB3 H 1 3.20 0.05 . 2 . . . . 5 H HB3 . 4958 1 12 . 1 1 5 5 HIS C C 13 176.39 0.20 . 1 . . . . 5 H C . 4958 1 13 . 1 1 5 5 HIS CA C 13 56.70 0.20 . 1 . . . . 5 H CA . 4958 1 14 . 1 1 5 5 HIS CB C 13 30.07 0.20 . 1 . . . . 5 H CB . 4958 1 15 . 1 1 8 8 HIS HA H 1 4.57 0.05 . 1 . . . . 8 H HA . 4958 1 16 . 1 1 8 8 HIS HB2 H 1 2.98 0.05 . 1 . . . . 8 H HB . 4958 1 17 . 1 1 8 8 HIS HB3 H 1 2.98 0.05 . 1 . . . . 8 H HB . 4958 1 18 . 1 1 8 8 HIS C C 13 173.92 0.20 . 1 . . . . 8 H C . 4958 1 19 . 1 1 8 8 HIS CA C 13 55.82 0.20 . 1 . . . . 8 H CA . 4958 1 20 . 1 1 8 8 HIS CB C 13 30.60 0.20 . 1 . . . . 8 H CB . 4958 1 21 . 1 1 9 9 HIS H H 1 8.35 0.02 . 1 . . . . 9 H HN . 4958 1 22 . 1 1 9 9 HIS HA H 1 4.65 0.05 . 1 . . . . 9 H HA . 4958 1 23 . 1 1 9 9 HIS HB2 H 1 3.08 0.05 . 1 . . . . 9 H HB . 4958 1 24 . 1 1 9 9 HIS HB3 H 1 3.08 0.05 . 1 . . . . 9 H HB . 4958 1 25 . 1 1 9 9 HIS C C 13 175.59 0.20 . 1 . . . . 9 H C . 4958 1 26 . 1 1 9 9 HIS CA C 13 56.17 0.20 . 1 . . . . 9 H CA . 4958 1 27 . 1 1 9 9 HIS CB C 13 30.74 0.20 . 1 . . . . 9 H CB . 4958 1 28 . 1 1 9 9 HIS N N 15 120.44 0.33 . 1 . . . . 9 H N . 4958 1 29 . 1 1 10 10 THR H H 1 8.12 0.02 . 1 . . . . 10 T HN . 4958 1 30 . 1 1 10 10 THR HA H 1 4.12 0.05 . 1 . . . . 10 T HA . 4958 1 31 . 1 1 10 10 THR HB H 1 4.02 0.05 . 1 . . . . 10 T HB . 4958 1 32 . 1 1 10 10 THR HG21 H 1 1.20 0.05 . 1 . . . . 10 T HG2 . 4958 1 33 . 1 1 10 10 THR HG22 H 1 1.20 0.05 . 1 . . . . 10 T HG2 . 4958 1 34 . 1 1 10 10 THR HG23 H 1 1.20 0.05 . 1 . . . . 10 T HG2 . 4958 1 35 . 1 1 10 10 THR C C 13 172.91 0.20 . 1 . . . . 10 T C . 4958 1 36 . 1 1 10 10 THR CA C 13 61.36 0.20 . 1 . . . . 10 T CA . 4958 1 37 . 1 1 10 10 THR CB C 13 70.00 0.20 . 1 . . . . 10 T CB . 4958 1 38 . 1 1 10 10 THR CG2 C 13 21.20 0.20 . 1 . . . . 10 T CG2 . 4958 1 39 . 1 1 10 10 THR N N 15 114.95 0.33 . 1 . . . . 10 T N . 4958 1 40 . 1 1 11 11 MET H H 1 7.91 0.02 . 1 . . . . 11 M HN . 4958 1 41 . 1 1 11 11 MET HA H 1 4.15 0.05 . 1 . . . . 11 M HA . 4958 1 42 . 1 1 11 11 MET C C 13 175.61 0.20 . 1 . . . . 11 M C . 4958 1 43 . 1 1 11 11 MET CA C 13 58.74 0.20 . 1 . . . . 11 M CA . 4958 1 44 . 1 1 11 11 MET N N 15 120.41 0.33 . 1 . . . . 11 M N . 4958 1 45 . 1 1 12 12 MET H H 1 8.08 0.02 . 1 . . . . 12 M HN . 4958 1 46 . 1 1 12 12 MET CA C 13 52.83 0.20 . 1 . . . . 12 M CA . 4958 1 47 . 1 1 12 12 MET N N 15 123.73 0.33 . 1 . . . . 12 M N . 4958 1 48 . 1 1 13 13 PRO HA H 1 4.38 0.05 . 1 . . . . 13 P HA . 4958 1 49 . 1 1 13 13 PRO HB2 H 1 1.89 0.05 . 2 . . . . 13 P HB2 . 4958 1 50 . 1 1 13 13 PRO HB3 H 1 2.19 0.05 . 2 . . . . 13 P HB3 . 4958 1 51 . 1 1 13 13 PRO HG2 H 1 1.92 0.05 . 1 . . . . 13 P HG . 4958 1 52 . 1 1 13 13 PRO HG3 H 1 1.92 0.05 . 1 . . . . 13 P HG . 4958 1 53 . 1 1 13 13 PRO HD2 H 1 3.65 0.05 . 2 . . . . 13 P HD2 . 4958 1 54 . 1 1 13 13 PRO HD3 H 1 3.77 0.05 . 2 . . . . 13 P HD3 . 4958 1 55 . 1 1 13 13 PRO CA C 13 63.04 0.20 . 1 . . . . 13 P CA . 4958 1 56 . 1 1 13 13 PRO CB C 13 32.15 0.20 . 1 . . . . 13 P CB . 4958 1 57 . 1 1 13 13 PRO CG C 13 26.98 0.20 . 1 . . . . 13 P CG . 4958 1 58 . 1 1 13 13 PRO CD C 13 50.57 0.20 . 1 . . . . 13 P CD . 4958 1 59 . 1 1 14 14 SER H H 1 7.98 0.02 . 1 . . . . 14 S HN . 4958 1 60 . 1 1 14 14 SER HA H 1 4.39 0.05 . 1 . . . . 14 S HA . 4958 1 61 . 1 1 14 14 SER CA C 13 55.28 0.20 . 1 . . . . 14 S CA . 4958 1 62 . 1 1 14 14 SER CB C 13 65.53 0.20 . 1 . . . . 14 S CB . 4958 1 63 . 1 1 14 14 SER N N 15 114.78 0.33 . 1 . . . . 14 S N . 4958 1 64 . 1 1 15 15 PRO HA H 1 4.40 0.05 . 1 . . . . 15 P HA . 4958 1 65 . 1 1 15 15 PRO HB2 H 1 1.88 0.05 . 2 . . . . 15 P HB2 . 4958 1 66 . 1 1 15 15 PRO HB3 H 1 2.24 0.05 . 2 . . . . 15 P HB3 . 4958 1 67 . 1 1 15 15 PRO HG2 H 1 1.98 0.05 . 1 . . . . 15 P HG . 4958 1 68 . 1 1 15 15 PRO HG3 H 1 1.98 0.05 . 1 . . . . 15 P HG . 4958 1 69 . 1 1 15 15 PRO HD2 H 1 3.64 0.05 . 2 . . . . 15 P HD2 . 4958 1 70 . 1 1 15 15 PRO HD3 H 1 3.70 0.05 . 2 . . . . 15 P HD3 . 4958 1 71 . 1 1 15 15 PRO C C 13 177.97 0.20 . 1 . . . . 15 P C . 4958 1 72 . 1 1 15 15 PRO CA C 13 62.94 0.20 . 1 . . . . 15 P CA . 4958 1 73 . 1 1 15 15 PRO CB C 13 32.20 0.20 . 1 . . . . 15 P CB . 4958 1 74 . 1 1 15 15 PRO CG C 13 26.92 0.20 . 1 . . . . 15 P CG . 4958 1 75 . 1 1 15 15 PRO CD C 13 50.69 0.20 . 1 . . . . 15 P CD . 4958 1 76 . 1 1 16 16 GLU H H 1 8.08 0.02 . 1 . . . . 16 E HN . 4958 1 77 . 1 1 16 16 GLU HA H 1 3.80 0.05 . 1 . . . . 16 E HA . 4958 1 78 . 1 1 16 16 GLU HB2 H 1 2.11 0.05 . 2 . . . . 16 E HB2 . 4958 1 79 . 1 1 16 16 GLU HB3 H 1 2.18 0.05 . 2 . . . . 16 E HB3 . 4958 1 80 . 1 1 16 16 GLU HG2 H 1 2.63 0.05 . 1 . . . . 16 E HG . 4958 1 81 . 1 1 16 16 GLU HG3 H 1 2.63 0.05 . 1 . . . . 16 E HG . 4958 1 82 . 1 1 16 16 GLU CA C 13 55.18 0.20 . 1 . . . . 16 E CA . 4958 1 83 . 1 1 16 16 GLU CB C 13 31.00 0.20 . 1 . . . . 16 E CB . 4958 1 84 . 1 1 16 16 GLU CG C 13 31.79 0.20 . 1 . . . . 16 E CG . 4958 1 85 . 1 1 16 16 GLU CD C 13 177.06 0.20 . 1 . . . . 16 E CD . 4958 1 86 . 1 1 16 16 GLU N N 15 115.59 0.33 . 1 . . . . 16 E N . 4958 1 87 . 1 1 17 17 PRO HA H 1 4.46 0.05 . 9 . . . . 17 P HA . 4958 1 88 . 1 1 17 17 PRO HB2 H 1 1.95 0.05 . 9 . . . . 17 P HB2 . 4958 1 89 . 1 1 17 17 PRO HB3 H 1 2.32 0.05 . 9 . . . . 17 P HB3 . 4958 1 90 . 1 1 17 17 PRO HG2 H 1 1.91 0.05 . 9 . . . . 17 P HG . 4958 1 91 . 1 1 17 17 PRO HG3 H 1 1.91 0.05 . 9 . . . . 17 P HG . 4958 1 92 . 1 1 17 17 PRO HD2 H 1 3.75 0.05 . 9 . . . . 17 P HD2 . 4958 1 93 . 1 1 17 17 PRO HD3 H 1 3.85 0.05 . 9 . . . . 17 P HD3 . 4958 1 94 . 1 1 17 17 PRO C C 13 176.94 0.20 . 9 . . . . 17 P C . 4958 1 95 . 1 1 17 17 PRO CA C 13 63.35 0.20 . 9 . . . . 17 P CA . 4958 1 96 . 1 1 17 17 PRO CB C 13 32.27 0.20 . 9 . . . . 17 P CB . 4958 1 97 . 1 1 17 17 PRO CG C 13 26.89 0.20 . 9 . . . . 17 P CG . 4958 1 98 . 1 1 17 17 PRO CD C 13 48.88 0.20 . 9 . . . . 17 P CD . 4958 1 99 . 1 1 18 18 SER H H 1 8.43 0.02 . 9 . . . . 18 S HN . 4958 1 100 . 1 1 18 18 SER HA H 1 4.34 0.05 . 9 . . . . 18 S HA . 4958 1 101 . 1 1 18 18 SER HB2 H 1 3.80 0.05 . 9 . . . . 18 S HB . 4958 1 102 . 1 1 18 18 SER HB3 H 1 3.80 0.05 . 9 . . . . 18 S HB . 4958 1 103 . 1 1 18 18 SER C C 13 172.88 0.20 . 9 . . . . 18 S C . 4958 1 104 . 1 1 18 18 SER CA C 13 58.12 0.20 . 9 . . . . 18 S CA . 4958 1 105 . 1 1 18 18 SER CB C 13 63.43 0.20 . 9 . . . . 18 S CB . 4958 1 106 . 1 1 18 18 SER N N 15 115.75 0.33 . 9 . . . . 18 S N . 4958 1 107 . 1 1 19 19 SER H H 1 8.32 0.02 . 9 . . . . 19 S HN . 4958 1 108 . 1 1 19 19 SER HA H 1 4.40 0.05 . 9 . . . . 19 S HA . 4958 1 109 . 1 1 19 19 SER HB2 H 1 3.75 0.05 . 9 . . . . 19 S HB . 4958 1 110 . 1 1 19 19 SER HB3 H 1 3.75 0.05 . 9 . . . . 19 S HB . 4958 1 111 . 1 1 19 19 SER CA C 13 58.28 0.20 . 9 . . . . 19 S CA . 4958 1 112 . 1 1 19 19 SER CB C 13 63.82 0.20 . 9 . . . . 19 S CB . 4958 1 113 . 1 1 19 19 SER N N 15 117.04 0.33 . 9 . . . . 19 S N . 4958 1 114 . 1 1 20 20 GLN H H 1 8.30 0.02 . 1 . . . . 20 Q HN . 4958 1 115 . 1 1 20 20 GLN HA H 1 4.71 0.05 . 1 . . . . 20 Q HA . 4958 1 116 . 1 1 20 20 GLN HB2 H 1 1.98 0.05 . 2 . . . . 20 Q HB2 . 4958 1 117 . 1 1 20 20 GLN HB3 H 1 2.14 0.05 . 2 . . . . 20 Q HB3 . 4958 1 118 . 1 1 20 20 GLN HG2 H 1 2.40 0.05 . 1 . . . . 20 Q HG . 4958 1 119 . 1 1 20 20 GLN HG3 H 1 2.40 0.05 . 1 . . . . 20 Q HG . 4958 1 120 . 1 1 20 20 GLN HE21 H 1 7.56 0.05 . 2 . . . . 20 Q HE21 . 4958 1 121 . 1 1 20 20 GLN HE22 H 1 6.86 0.05 . 2 . . . . 20 Q HE22 . 4958 1 122 . 1 1 20 20 GLN C C 13 174.09 0.20 . 1 . . . . 20 Q C . 4958 1 123 . 1 1 20 20 GLN CA C 13 53.35 0.20 . 1 . . . . 20 Q CA . 4958 1 124 . 1 1 20 20 GLN CB C 13 29.13 0.20 . 1 . . . . 20 Q CB . 4958 1 125 . 1 1 20 20 GLN CG C 13 33.29 0.20 . 1 . . . . 20 Q CG . 4958 1 126 . 1 1 20 20 GLN CD C 13 180.45 0.20 . 1 . . . . 20 Q CD . 4958 1 127 . 1 1 20 20 GLN N N 15 122.50 0.33 . 1 . . . . 20 Q N . 4958 1 128 . 1 1 20 20 GLN NE2 N 15 111.74 0.33 . 1 . . . . 20 Q NE2 . 4958 1 129 . 1 1 21 21 PRO HA H 1 4.80 0.05 . 9 . . . . 21 P HA . 4958 1 130 . 1 1 21 21 PRO HB2 H 1 1.95 0.05 . 9 . . . . 21 P HB2 . 4958 1 131 . 1 1 21 21 PRO HB3 H 1 2.27 0.05 . 9 . . . . 21 P HB3 . 4958 1 132 . 1 1 21 21 PRO HG2 H 1 1.85 0.05 . 9 . . . . 21 P HG . 4958 1 133 . 1 1 21 21 PRO HG3 H 1 1.85 0.05 . 9 . . . . 21 P HG . 4958 1 134 . 1 1 21 21 PRO HD2 H 1 3.70 0.05 . 9 . . . . 21 P HD2 . 4958 1 135 . 1 1 21 21 PRO HD3 H 1 3.80 0.05 . 9 . . . . 21 P HD3 . 4958 1 136 . 1 1 21 21 PRO C C 13 177.07 0.20 . 9 . . . . 21 P C . 4958 1 137 . 1 1 21 21 PRO CA C 13 63.03 0.20 . 9 . . . . 21 P CA . 4958 1 138 . 1 1 21 21 PRO CB C 13 32.20 0.20 . 9 . . . . 21 P CB . 4958 1 139 . 1 1 21 21 PRO CG C 13 27.12 0.20 . 9 . . . . 21 P CG . 4958 1 140 . 1 1 21 21 PRO CD C 13 49.15 0.20 . 9 . . . . 21 P CD . 4958 1 141 . 1 1 22 22 SER H H 1 8.58 0.02 . 9 . . . . 22 S HN . 4958 1 142 . 1 1 22 22 SER HA H 1 4.40 0.05 . 9 . . . . 22 S HA . 4958 1 143 . 1 1 22 22 SER HB2 H 1 3.84 0.05 . 9 . . . . 22 S HB2 . 4958 1 144 . 1 1 22 22 SER HB3 H 1 3.93 0.05 . 9 . . . . 22 S HB3 . 4958 1 145 . 1 1 22 22 SER C C 13 174.28 0.20 . 9 . . . . 22 S C . 4958 1 146 . 1 1 22 22 SER CA C 13 58.66 0.20 . 9 . . . . 22 S CA . 4958 1 147 . 1 1 22 22 SER CB C 13 63.87 0.20 . 9 . . . . 22 S CB . 4958 1 148 . 1 1 22 22 SER N N 15 116.72 0.33 . 9 . . . . 22 S N . 4958 1 149 . 1 1 23 23 ASP H H 1 8.44 0.02 . 1 . . . . 23 D HN . 4958 1 150 . 1 1 23 23 ASP HA H 1 4.57 0.05 . 1 . . . . 23 D HA . 4958 1 151 . 1 1 23 23 ASP HB2 H 1 2.51 0.05 . 2 . . . . 23 D HB2 . 4958 1 152 . 1 1 23 23 ASP HB3 H 1 2.64 0.05 . 2 . . . . 23 D HB3 . 4958 1 153 . 1 1 23 23 ASP C C 13 176.72 0.20 . 1 . . . . 23 D C . 4958 1 154 . 1 1 23 23 ASP CA C 13 54.32 0.20 . 1 . . . . 23 D CA . 4958 1 155 . 1 1 23 23 ASP CB C 13 41.03 0.20 . 1 . . . . 23 D CB . 4958 1 156 . 1 1 23 23 ASP CG C 13 180.07 0.20 . 1 . . . . 23 D CG . 4958 1 157 . 1 1 23 23 ASP N N 15 121.85 0.33 . 1 . . . . 23 D N . 4958 1 158 . 1 1 24 24 CYS H H 1 8.32 0.02 . 1 . . . . 24 C HN . 4958 1 159 . 1 1 24 24 CYS HA H 1 4.52 0.05 . 1 . . . . 24 C HA . 4958 1 160 . 1 1 24 24 CYS HB2 H 1 3.04 0.05 . 2 . . . . 24 C HB2 . 4958 1 161 . 1 1 24 24 CYS HB3 H 1 3.17 0.05 . 2 . . . . 24 C HB3 . 4958 1 162 . 1 1 24 24 CYS C C 13 175.26 0.20 . 1 . . . . 24 C C . 4958 1 163 . 1 1 24 24 CYS CA C 13 56.88 0.20 . 1 . . . . 24 C CA . 4958 1 164 . 1 1 24 24 CYS CB C 13 40.83 0.20 . 1 . . . . 24 C CB . 4958 1 165 . 1 1 24 24 CYS N N 15 118.16 0.33 . 1 . . . . 24 C N . 4958 1 166 . 1 1 25 25 GLY H H 1 8.50 0.02 . 1 . . . . 25 G HN . 4958 1 167 . 1 1 25 25 GLY HA2 H 1 3.86 0.05 . 1 . . . . 25 G HA . 4958 1 168 . 1 1 25 25 GLY HA3 H 1 3.86 0.05 . 1 . . . . 25 G HA . 4958 1 169 . 1 1 25 25 GLY C C 13 174.86 0.20 . 1 . . . . 25 G C . 4958 1 170 . 1 1 25 25 GLY CA C 13 45.87 0.20 . 1 . . . . 25 G CA . 4958 1 171 . 1 1 25 25 GLY N N 15 109.17 0.33 . 1 . . . . 25 G N . 4958 1 172 . 1 1 26 26 GLU H H 1 8.00 0.02 . 1 . . . . 26 E HN . 4958 1 173 . 1 1 26 26 GLU HA H 1 4.34 0.05 . 1 . . . . 26 E HA . 4958 1 174 . 1 1 26 26 GLU HB2 H 1 2.08 0.05 . 1 . . . . 26 E HB . 4958 1 175 . 1 1 26 26 GLU HB3 H 1 2.08 0.05 . 1 . . . . 26 E HB . 4958 1 176 . 1 1 26 26 GLU HG2 H 1 2.18 0.05 . 1 . . . . 26 E HG . 4958 1 177 . 1 1 26 26 GLU HG3 H 1 2.18 0.05 . 1 . . . . 26 E HG . 4958 1 178 . 1 1 26 26 GLU C C 13 174.98 0.20 . 1 . . . . 26 E C . 4958 1 179 . 1 1 26 26 GLU CA C 13 55.83 0.20 . 1 . . . . 26 E CA . 4958 1 180 . 1 1 26 26 GLU CB C 13 33.13 0.20 . 1 . . . . 26 E CB . 4958 1 181 . 1 1 26 26 GLU CG C 13 35.90 0.20 . 1 . . . . 26 E CG . 4958 1 182 . 1 1 26 26 GLU N N 15 120.24 0.33 . 1 . . . . 26 E N . 4958 1 183 . 1 1 27 27 VAL H H 1 8.09 0.02 . 1 . . . . 27 V HN . 4958 1 184 . 1 1 27 27 VAL HA H 1 4.15 0.05 . 1 . . . . 27 V HA . 4958 1 185 . 1 1 27 27 VAL HB H 1 2.14 0.05 . 1 . . . . 27 V HB . 4958 1 186 . 1 1 27 27 VAL HG11 H 1 0.97 0.05 . 1 . . . . 27 V HG1 . 4958 1 187 . 1 1 27 27 VAL HG12 H 1 0.97 0.05 . 1 . . . . 27 V HG1 . 4958 1 188 . 1 1 27 27 VAL HG13 H 1 0.97 0.05 . 1 . . . . 27 V HG1 . 4958 1 189 . 1 1 27 27 VAL HG21 H 1 0.84 0.05 . 1 . . . . 27 V HG2 . 4958 1 190 . 1 1 27 27 VAL HG22 H 1 0.84 0.05 . 1 . . . . 27 V HG2 . 4958 1 191 . 1 1 27 27 VAL HG23 H 1 0.84 0.05 . 1 . . . . 27 V HG2 . 4958 1 192 . 1 1 27 27 VAL C C 13 176.19 0.20 . 1 . . . . 27 V C . 4958 1 193 . 1 1 27 27 VAL CA C 13 63.44 0.20 . 1 . . . . 27 V CA . 4958 1 194 . 1 1 27 27 VAL CB C 13 32.07 0.20 . 1 . . . . 27 V CB . 4958 1 195 . 1 1 27 27 VAL CG1 C 13 20.85 0.20 . 1 . . . . 27 V CG1 . 4958 1 196 . 1 1 27 27 VAL CG2 C 13 18.72 0.20 . 1 . . . . 27 V CG2 . 4958 1 197 . 1 1 27 27 VAL N N 15 120.70 0.33 . 1 . . . . 27 V N . 4958 1 198 . 1 1 28 28 ILE H H 1 8.02 0.02 . 1 . . . . 28 I HN . 4958 1 199 . 1 1 28 28 ILE HA H 1 4.27 0.05 . 1 . . . . 28 I HA . 4958 1 200 . 1 1 28 28 ILE HB H 1 1.81 0.05 . 1 . . . . 28 I HB . 4958 1 201 . 1 1 28 28 ILE HG12 H 1 1.18 0.05 . 2 . . . . 28 I HG12 . 4958 1 202 . 1 1 28 28 ILE HG13 H 1 1.46 0.05 . 2 . . . . 28 I HG13 . 4958 1 203 . 1 1 28 28 ILE HG21 H 1 0.90 0.05 . 1 . . . . 28 I HG2 . 4958 1 204 . 1 1 28 28 ILE HG22 H 1 0.90 0.05 . 1 . . . . 28 I HG2 . 4958 1 205 . 1 1 28 28 ILE HG23 H 1 0.90 0.05 . 1 . . . . 28 I HG2 . 4958 1 206 . 1 1 28 28 ILE HD11 H 1 0.84 0.05 . 1 . . . . 28 I HD1 . 4958 1 207 . 1 1 28 28 ILE HD12 H 1 0.84 0.05 . 1 . . . . 28 I HD1 . 4958 1 208 . 1 1 28 28 ILE HD13 H 1 0.84 0.05 . 1 . . . . 28 I HD1 . 4958 1 209 . 1 1 28 28 ILE C C 13 175.97 0.20 . 1 . . . . 28 I C . 4958 1 210 . 1 1 28 28 ILE CA C 13 60.15 0.20 . 1 . . . . 28 I CA . 4958 1 211 . 1 1 28 28 ILE CB C 13 38.59 0.20 . 1 . . . . 28 I CB . 4958 1 212 . 1 1 28 28 ILE CG1 C 13 26.79 0.20 . 1 . . . . 28 I CG1 . 4958 1 213 . 1 1 28 28 ILE CG2 C 13 17.65 0.20 . 1 . . . . 28 I CG2 . 4958 1 214 . 1 1 28 28 ILE CD1 C 13 12.04 0.20 . 1 . . . . 28 I CD1 . 4958 1 215 . 1 1 28 28 ILE N N 15 121.50 0.33 . 1 . . . . 28 I N . 4958 1 216 . 1 1 29 29 GLU H H 1 8.97 0.02 . 1 . . . . 29 E HN . 4958 1 217 . 1 1 29 29 GLU HA H 1 4.35 0.05 . 1 . . . . 29 E HA . 4958 1 218 . 1 1 29 29 GLU HB2 H 1 2.18 0.05 . 1 . . . . 29 E HB . 4958 1 219 . 1 1 29 29 GLU HB3 H 1 2.18 0.05 . 1 . . . . 29 E HB . 4958 1 220 . 1 1 29 29 GLU HG2 H 1 2.20 0.05 . 1 . . . . 29 E HG . 4958 1 221 . 1 1 29 29 GLU HG3 H 1 2.20 0.05 . 1 . . . . 29 E HG . 4958 1 222 . 1 1 29 29 GLU C C 13 176.68 0.20 . 1 . . . . 29 E C . 4958 1 223 . 1 1 29 29 GLU CA C 13 57.80 0.20 . 1 . . . . 29 E CA . 4958 1 224 . 1 1 29 29 GLU CB C 13 31.17 0.20 . 1 . . . . 29 E CB . 4958 1 225 . 1 1 29 29 GLU N N 15 130.50 0.33 . 1 . . . . 29 E N . 4958 1 226 . 1 1 30 30 GLU H H 1 8.37 0.02 . 1 . . . . 30 E HN . 4958 1 227 . 1 1 30 30 GLU HA H 1 4.56 0.05 . 1 . . . . 30 E HA . 4958 1 228 . 1 1 30 30 GLU HB2 H 1 1.94 0.05 . 2 . . . . 30 E HB2 . 4958 1 229 . 1 1 30 30 GLU HB3 H 1 2.01 0.05 . 2 . . . . 30 E HB3 . 4958 1 230 . 1 1 30 30 GLU HG2 H 1 2.28 0.05 . 1 . . . . 30 E HG . 4958 1 231 . 1 1 30 30 GLU HG3 H 1 2.28 0.05 . 1 . . . . 30 E HG . 4958 1 232 . 1 1 30 30 GLU C C 13 173.97 0.20 . 1 . . . . 30 E C . 4958 1 233 . 1 1 30 30 GLU CA C 13 55.16 0.20 . 1 . . . . 30 E CA . 4958 1 234 . 1 1 30 30 GLU CB C 13 33.08 0.20 . 1 . . . . 30 E CB . 4958 1 235 . 1 1 30 30 GLU N N 15 122.20 0.33 . 1 . . . . 30 E N . 4958 1 236 . 1 1 31 31 CYS H H 1 8.05 0.02 . 1 . . . . 31 C HN . 4958 1 237 . 1 1 31 31 CYS HA H 1 4.48 0.05 . 1 . . . . 31 C HA . 4958 1 238 . 1 1 31 31 CYS HB2 H 1 2.78 0.05 . 1 . . . . 31 C HB . 4958 1 239 . 1 1 31 31 CYS HB3 H 1 2.78 0.05 . 1 . . . . 31 C HB . 4958 1 240 . 1 1 31 31 CYS C C 13 174.95 0.20 . 1 . . . . 31 C C . 4958 1 241 . 1 1 31 31 CYS CA C 13 52.70 0.20 . 1 . . . . 31 C CA . 4958 1 242 . 1 1 31 31 CYS CB C 13 40.60 0.20 . 1 . . . . 31 C CB . 4958 1 243 . 1 1 31 31 CYS N N 15 123.94 0.33 . 1 . . . . 31 C N . 4958 1 244 . 1 1 32 32 PRO HA H 1 4.47 0.05 . 1 . . . . 32 P HA . 4958 1 245 . 1 1 32 32 PRO HB2 H 1 1.97 0.05 . 2 . . . . 32 P HB2 . 4958 1 246 . 1 1 32 32 PRO HB3 H 1 2.27 0.05 . 2 . . . . 32 P HB3 . 4958 1 247 . 1 1 32 32 PRO HG2 H 1 1.92 0.05 . 1 . . . . 32 P HG . 4958 1 248 . 1 1 32 32 PRO HG3 H 1 1.92 0.05 . 1 . . . . 32 P HG . 4958 1 249 . 1 1 32 32 PRO HD2 H 1 3.70 0.05 . 2 . . . . 32 P HD2 . 4958 1 250 . 1 1 32 32 PRO HD3 H 1 3.82 0.05 . 2 . . . . 32 P HD3 . 4958 1 251 . 1 1 32 32 PRO C C 13 175.71 0.20 . 1 . . . . 32 P C . 4958 1 252 . 1 1 32 32 PRO CA C 13 63.70 0.20 . 1 . . . . 32 P CA . 4958 1 253 . 1 1 32 32 PRO CB C 13 32.60 0.20 . 1 . . . . 32 P CB . 4958 1 254 . 1 1 32 32 PRO CG C 13 26.91 0.20 . 1 . . . . 32 P CG . 4958 1 255 . 1 1 32 32 PRO CD C 13 50.70 0.20 . 1 . . . . 32 P CD . 4958 1 256 . 1 1 33 33 ILE H H 1 8.02 0.02 . 1 . . . . 33 I HN . 4958 1 257 . 1 1 33 33 ILE HA H 1 4.31 0.05 . 1 . . . . 33 I HA . 4958 1 258 . 1 1 33 33 ILE HB H 1 1.76 0.05 . 1 . . . . 33 I HB . 4958 1 259 . 1 1 33 33 ILE HG12 H 1 0.95 0.05 . 2 . . . . 33 I HG12 . 4958 1 260 . 1 1 33 33 ILE HG13 H 1 1.32 0.05 . 2 . . . . 33 I HG13 . 4958 1 261 . 1 1 33 33 ILE HG21 H 1 0.85 0.05 . 1 . . . . 33 I HG2 . 4958 1 262 . 1 1 33 33 ILE HG22 H 1 0.85 0.05 . 1 . . . . 33 I HG2 . 4958 1 263 . 1 1 33 33 ILE HG23 H 1 0.85 0.05 . 1 . . . . 33 I HG2 . 4958 1 264 . 1 1 33 33 ILE HD11 H 1 0.78 0.05 . 1 . . . . 33 I HD1 . 4958 1 265 . 1 1 33 33 ILE HD12 H 1 0.78 0.05 . 1 . . . . 33 I HD1 . 4958 1 266 . 1 1 33 33 ILE HD13 H 1 0.78 0.05 . 1 . . . . 33 I HD1 . 4958 1 267 . 1 1 33 33 ILE C C 13 176.24 0.20 . 1 . . . . 33 I C . 4958 1 268 . 1 1 33 33 ILE CA C 13 59.45 0.20 . 1 . . . . 33 I CA . 4958 1 269 . 1 1 33 33 ILE CB C 13 39.37 0.20 . 1 . . . . 33 I CB . 4958 1 270 . 1 1 33 33 ILE CG1 C 13 26.54 0.20 . 1 . . . . 33 I CG1 . 4958 1 271 . 1 1 33 33 ILE CG2 C 13 17.38 0.20 . 1 . . . . 33 I CG2 . 4958 1 272 . 1 1 33 33 ILE CD1 C 13 13.10 0.20 . 1 . . . . 33 I CD1 . 4958 1 273 . 1 1 33 33 ILE N N 15 120.41 0.33 . 1 . . . . 33 I N . 4958 1 274 . 1 1 34 34 ASP H H 1 9.00 0.02 . 1 . . . . 34 D HN . 4958 1 275 . 1 1 34 34 ASP HA H 1 4.74 0.05 . 1 . . . . 34 D HA . 4958 1 276 . 1 1 34 34 ASP HB2 H 1 2.40 0.05 . 2 . . . . 34 D HB2 . 4958 1 277 . 1 1 34 34 ASP HB3 H 1 3.01 0.05 . 2 . . . . 34 D HB3 . 4958 1 278 . 1 1 34 34 ASP C C 13 178.05 0.20 . 1 . . . . 34 D C . 4958 1 279 . 1 1 34 34 ASP CA C 13 54.24 0.20 . 1 . . . . 34 D CA . 4958 1 280 . 1 1 34 34 ASP CB C 13 43.76 0.20 . 1 . . . . 34 D CB . 4958 1 281 . 1 1 34 34 ASP CG C 13 184.11 0.20 . 1 . . . . 34 D CG . 4958 1 282 . 1 1 34 34 ASP N N 15 130.69 0.33 . 1 . . . . 34 D N . 4958 1 283 . 1 1 35 35 ALA H H 1 8.90 0.02 . 1 . . . . 35 A HN . 4958 1 284 . 1 1 35 35 ALA HA H 1 4.78 0.05 . 1 . . . . 35 A HA . 4958 1 285 . 1 1 35 35 ALA HB1 H 1 1.33 0.05 . 1 . . . . 35 A HB . 4958 1 286 . 1 1 35 35 ALA HB2 H 1 1.33 0.05 . 1 . . . . 35 A HB . 4958 1 287 . 1 1 35 35 ALA HB3 H 1 1.33 0.05 . 1 . . . . 35 A HB . 4958 1 288 . 1 1 35 35 ALA C C 13 177.94 0.20 . 1 . . . . 35 A C . 4958 1 289 . 1 1 35 35 ALA CA C 13 53.60 0.20 . 1 . . . . 35 A CA . 4958 1 290 . 1 1 35 35 ALA CB C 13 19.32 0.20 . 1 . . . . 35 A CB . 4958 1 291 . 1 1 35 35 ALA N N 15 124.42 0.33 . 1 . . . . 35 A N . 4958 1 292 . 1 1 36 36 CYS H H 1 7.65 0.02 . 1 . . . . 36 C HN . 4958 1 293 . 1 1 36 36 CYS HA H 1 4.25 0.05 . 1 . . . . 36 C HA . 4958 1 294 . 1 1 36 36 CYS HB2 H 1 2.35 0.05 . 2 . . . . 36 C HB2 . 4958 1 295 . 1 1 36 36 CYS HB3 H 1 3.30 0.05 . 2 . . . . 36 C HB3 . 4958 1 296 . 1 1 36 36 CYS C C 13 174.93 0.20 . 1 . . . . 36 C C . 4958 1 297 . 1 1 36 36 CYS CA C 13 57.85 0.20 . 1 . . . . 36 C CA . 4958 1 298 . 1 1 36 36 CYS CB C 13 38.53 0.20 . 1 . . . . 36 C CB . 4958 1 299 . 1 1 36 36 CYS N N 15 114.47 0.33 . 1 . . . . 36 C N . 4958 1 300 . 1 1 37 37 PHE H H 1 8.06 0.02 . 1 . . . . 37 F HN . 4958 1 301 . 1 1 37 37 PHE HA H 1 4.08 0.05 . 1 . . . . 37 F HA . 4958 1 302 . 1 1 37 37 PHE HB2 H 1 2.75 0.05 . 2 . . . . 37 F HB2 . 4958 1 303 . 1 1 37 37 PHE HB3 H 1 3.27 0.05 . 2 . . . . 37 F HB3 . 4958 1 304 . 1 1 37 37 PHE HD1 H 1 7.16 0.05 . 1 . . . . 37 F HD . 4958 1 305 . 1 1 37 37 PHE HD2 H 1 7.16 0.05 . 1 . . . . 37 F HD . 4958 1 306 . 1 1 37 37 PHE C C 13 174.60 0.20 . 1 . . . . 37 F C . 4958 1 307 . 1 1 37 37 PHE CA C 13 59.50 0.20 . 1 . . . . 37 F CA . 4958 1 308 . 1 1 37 37 PHE CB C 13 37.54 0.20 . 1 . . . . 37 F CB . 4958 1 309 . 1 1 37 37 PHE N N 15 117.04 0.33 . 1 . . . . 37 F N . 4958 1 310 . 1 1 38 38 LEU H H 1 7.15 0.02 . 1 . . . . 38 L HN . 4958 1 311 . 1 1 38 38 LEU HA H 1 4.42 0.05 . 1 . . . . 38 L HA . 4958 1 312 . 1 1 38 38 LEU HB2 H 1 1.46 0.05 . 2 . . . . 38 L HB2 . 4958 1 313 . 1 1 38 38 LEU HB3 H 1 1.72 0.05 . 2 . . . . 38 L HB3 . 4958 1 314 . 1 1 38 38 LEU HG H 1 1.17 0.05 . 1 . . . . 38 L HG . 4958 1 315 . 1 1 38 38 LEU HD11 H 1 0.84 0.05 . 1 . . . . 38 L HD . 4958 1 316 . 1 1 38 38 LEU HD12 H 1 0.84 0.05 . 1 . . . . 38 L HD . 4958 1 317 . 1 1 38 38 LEU HD13 H 1 0.84 0.05 . 1 . . . . 38 L HD . 4958 1 318 . 1 1 38 38 LEU HD21 H 1 0.84 0.05 . 1 . . . . 38 L HD . 4958 1 319 . 1 1 38 38 LEU HD22 H 1 0.84 0.05 . 1 . . . . 38 L HD . 4958 1 320 . 1 1 38 38 LEU HD23 H 1 0.84 0.05 . 1 . . . . 38 L HD . 4958 1 321 . 1 1 38 38 LEU CA C 13 53.64 0.20 . 1 . . . . 38 L CA . 4958 1 322 . 1 1 38 38 LEU CB C 13 40.87 0.20 . 1 . . . . 38 L CB . 4958 1 323 . 1 1 38 38 LEU CG C 13 26.45 0.20 . 1 . . . . 38 L CG . 4958 1 324 . 1 1 38 38 LEU CD1 C 13 24.85 0.20 . 1 . . . . 38 L CD . 4958 1 325 . 1 1 38 38 LEU CD2 C 13 24.85 0.20 . 1 . . . . 38 L CD . 4958 1 326 . 1 1 38 38 LEU N N 15 120.89 0.33 . 1 . . . . 38 L N . 4958 1 327 . 1 1 39 39 PRO HA H 1 4.33 0.05 . 1 . . . . 39 P HA . 4958 1 328 . 1 1 39 39 PRO HB2 H 1 1.83 0.05 . 2 . . . . 39 P HB2 . 4958 1 329 . 1 1 39 39 PRO HB3 H 1 2.35 0.05 . 2 . . . . 39 P HB3 . 4958 1 330 . 1 1 39 39 PRO HG2 H 1 2.09 0.05 . 1 . . . . 39 P HG . 4958 1 331 . 1 1 39 39 PRO HG3 H 1 2.09 0.05 . 1 . . . . 39 P HG . 4958 1 332 . 1 1 39 39 PRO HD2 H 1 3.63 0.05 . 2 . . . . 39 P HD2 . 4958 1 333 . 1 1 39 39 PRO HD3 H 1 3.84 0.05 . 2 . . . . 39 P HD3 . 4958 1 334 . 1 1 39 39 PRO C C 13 177.95 0.20 . 1 . . . . 39 P C . 4958 1 335 . 1 1 39 39 PRO CA C 13 62.30 0.20 . 1 . . . . 39 P CA . 4958 1 336 . 1 1 39 39 PRO CB C 13 32.20 0.20 . 1 . . . . 39 P CB . 4958 1 337 . 1 1 39 39 PRO CG C 13 27.65 0.20 . 1 . . . . 39 P CG . 4958 1 338 . 1 1 39 39 PRO CD C 13 49.50 0.20 . 1 . . . . 39 P CD . 4958 1 339 . 1 1 40 40 LYS H H 1 8.67 0.02 . 1 . . . . 40 K HN . 4958 1 340 . 1 1 40 40 LYS HA H 1 3.86 0.05 . 1 . . . . 40 K HA . 4958 1 341 . 1 1 40 40 LYS HB2 H 1 1.75 0.05 . 2 . . . . 40 K HB2 . 4958 1 342 . 1 1 40 40 LYS HB3 H 1 1.89 0.05 . 2 . . . . 40 K HB3 . 4958 1 343 . 1 1 40 40 LYS HG2 H 1 1.27 0.05 . 2 . . . . 40 K HG2 . 4958 1 344 . 1 1 40 40 LYS HG3 H 1 1.60 0.05 . 2 . . . . 40 K HG3 . 4958 1 345 . 1 1 40 40 LYS HD2 H 1 1.70 0.05 . 1 . . . . 40 K HD . 4958 1 346 . 1 1 40 40 LYS HD3 H 1 1.70 0.05 . 1 . . . . 40 K HD . 4958 1 347 . 1 1 40 40 LYS HE2 H 1 2.96 0.05 . 1 . . . . 40 K HE . 4958 1 348 . 1 1 40 40 LYS HE3 H 1 2.96 0.05 . 1 . . . . 40 K HE . 4958 1 349 . 1 1 40 40 LYS HZ1 H 1 8.29 0.05 . 1 . . . . 40 K HZ . 4958 1 350 . 1 1 40 40 LYS HZ2 H 1 8.29 0.05 . 1 . . . . 40 K HZ . 4958 1 351 . 1 1 40 40 LYS HZ3 H 1 8.29 0.05 . 1 . . . . 40 K HZ . 4958 1 352 . 1 1 40 40 LYS C C 13 176.92 0.20 . 1 . . . . 40 K C . 4958 1 353 . 1 1 40 40 LYS CA C 13 59.32 0.20 . 1 . . . . 40 K CA . 4958 1 354 . 1 1 40 40 LYS CB C 13 31.67 0.20 . 1 . . . . 40 K CB . 4958 1 355 . 1 1 40 40 LYS CG C 13 26.45 0.20 . 1 . . . . 40 K CG . 4958 1 356 . 1 1 40 40 LYS CD C 13 28.35 0.20 . 1 . . . . 40 K CD . 4958 1 357 . 1 1 40 40 LYS CE C 13 41.41 0.20 . 1 . . . . 40 K CE . 4958 1 358 . 1 1 40 40 LYS N N 15 118.96 0.33 . 1 . . . . 40 K N . 4958 1 359 . 1 1 41 41 SER H H 1 7.57 0.02 . 1 . . . . 41 S HN . 4958 1 360 . 1 1 41 41 SER HA H 1 4.23 0.05 . 1 . . . . 41 S HA . 4958 1 361 . 1 1 41 41 SER HB2 H 1 3.76 0.05 . 2 . . . . 41 S HB2 . 4958 1 362 . 1 1 41 41 SER HB3 H 1 4.07 0.05 . 2 . . . . 41 S HB3 . 4958 1 363 . 1 1 41 41 SER HG H 1 4.74 0.05 . 1 . . . . 41 S HG . 4958 1 364 . 1 1 41 41 SER C C 13 174.09 0.20 . 1 . . . . 41 S C . 4958 1 365 . 1 1 41 41 SER CA C 13 57.86 0.20 . 1 . . . . 41 S CA . 4958 1 366 . 1 1 41 41 SER CB C 13 63.21 0.20 . 1 . . . . 41 S CB . 4958 1 367 . 1 1 41 41 SER N N 15 109.65 0.33 . 1 . . . . 41 S N . 4958 1 368 . 1 1 42 42 ASP H H 1 7.98 0.02 . 1 . . . . 42 D HN . 4958 1 369 . 1 1 42 42 ASP HA H 1 4.55 0.05 . 1 . . . . 42 D HA . 4958 1 370 . 1 1 42 42 ASP HB2 H 1 2.40 0.05 . 2 . . . . 42 D HB2 . 4958 1 371 . 1 1 42 42 ASP HB3 H 1 3.01 0.05 . 2 . . . . 42 D HB3 . 4958 1 372 . 1 1 42 42 ASP C C 13 178.16 0.20 . 1 . . . . 42 D C . 4958 1 373 . 1 1 42 42 ASP CA C 13 54.52 0.20 . 1 . . . . 42 D CA . 4958 1 374 . 1 1 42 42 ASP CB C 13 43.90 0.20 . 1 . . . . 42 D CB . 4958 1 375 . 1 1 42 42 ASP CG C 13 178.96 0.20 . 1 . . . . 42 D CG . 4958 1 376 . 1 1 42 42 ASP N N 15 125.71 0.33 . 1 . . . . 42 D N . 4958 1 377 . 1 1 43 43 SER H H 1 8.95 0.02 . 1 . . . . 43 S HN . 4958 1 378 . 1 1 43 43 SER HA H 1 4.17 0.05 . 1 . . . . 43 S HA . 4958 1 379 . 1 1 43 43 SER HB2 H 1 3.95 0.05 . 1 . . . . 43 S HB . 4958 1 380 . 1 1 43 43 SER HB3 H 1 3.95 0.05 . 1 . . . . 43 S HB . 4958 1 381 . 1 1 43 43 SER C C 13 174.50 0.20 . 1 . . . . 43 S C . 4958 1 382 . 1 1 43 43 SER CA C 13 60.80 0.20 . 1 . . . . 43 S CA . 4958 1 383 . 1 1 43 43 SER CB C 13 63.06 0.20 . 1 . . . . 43 S CB . 4958 1 384 . 1 1 43 43 SER N N 15 125.07 0.33 . 1 . . . . 43 S N . 4958 1 385 . 1 1 44 44 ALA H H 1 9.40 0.02 . 1 . . . . 44 A HN . 4958 1 386 . 1 1 44 44 ALA HA H 1 4.26 0.05 . 1 . . . . 44 A HA . 4958 1 387 . 1 1 44 44 ALA HB1 H 1 1.31 0.05 . 1 . . . . 44 A HB . 4958 1 388 . 1 1 44 44 ALA HB2 H 1 1.31 0.05 . 1 . . . . 44 A HB . 4958 1 389 . 1 1 44 44 ALA HB3 H 1 1.31 0.05 . 1 . . . . 44 A HB . 4958 1 390 . 1 1 44 44 ALA C C 13 177.63 0.20 . 1 . . . . 44 A C . 4958 1 391 . 1 1 44 44 ALA CA C 13 51.75 0.20 . 1 . . . . 44 A CA . 4958 1 392 . 1 1 44 44 ALA CB C 13 19.34 0.20 . 1 . . . . 44 A CB . 4958 1 393 . 1 1 44 44 ALA N N 15 124.10 0.33 . 1 . . . . 44 A N . 4958 1 394 . 1 1 45 45 ARG H H 1 7.65 0.02 . 1 . . . . 45 R HN . 4958 1 395 . 1 1 45 45 ARG HA H 1 4.16 0.05 . 1 . . . . 45 R HA . 4958 1 396 . 1 1 45 45 ARG HB2 H 1 1.57 0.05 . 2 . . . . 45 R HB2 . 4958 1 397 . 1 1 45 45 ARG HB3 H 1 1.78 0.05 . 2 . . . . 45 R HB3 . 4958 1 398 . 1 1 45 45 ARG HG2 H 1 1.87 0.05 . 2 . . . . 45 R HG2 . 4958 1 399 . 1 1 45 45 ARG HG3 H 1 2.28 0.05 . 2 . . . . 45 R HG3 . 4958 1 400 . 1 1 45 45 ARG HD2 H 1 2.98 0.05 . 1 . . . . 45 R HD . 4958 1 401 . 1 1 45 45 ARG HD3 H 1 2.98 0.05 . 1 . . . . 45 R HD . 4958 1 402 . 1 1 45 45 ARG HE H 1 6.75 0.05 . 1 . . . . 45 R HE . 4958 1 403 . 1 1 45 45 ARG C C 13 174.80 0.20 . 1 . . . . 45 R C . 4958 1 404 . 1 1 45 45 ARG CA C 13 54.98 0.20 . 1 . . . . 45 R CA . 4958 1 405 . 1 1 45 45 ARG CB C 13 30.73 0.20 . 1 . . . . 45 R CB . 4958 1 406 . 1 1 45 45 ARG CG C 13 27.52 0.20 . 1 . . . . 45 R CG . 4958 1 407 . 1 1 45 45 ARG CD C 13 43.01 0.20 . 1 . . . . 45 R CD . 4958 1 408 . 1 1 45 45 ARG CZ C 13 159.21 0.20 . 1 . . . . 45 R CZ . 4958 1 409 . 1 1 45 45 ARG N N 15 122.82 0.33 . 1 . . . . 45 R N . 4958 1 410 . 1 1 45 45 ARG NE N 15 127.48 0.33 . 1 . . . . 45 R NE . 4958 1 411 . 1 1 46 46 PRO HA H 1 4.52 0.05 . 1 . . . . 46 P HA . 4958 1 412 . 1 1 46 46 PRO HB2 H 1 1.88 0.05 . 2 . . . . 46 P HB2 . 4958 1 413 . 1 1 46 46 PRO HB3 H 1 2.28 0.05 . 2 . . . . 46 P HB3 . 4958 1 414 . 1 1 46 46 PRO HD2 H 1 2.94 0.05 . 2 . . . . 46 P HD2 . 4958 1 415 . 1 1 46 46 PRO HD3 H 1 3.92 0.05 . 2 . . . . 46 P HD3 . 4958 1 416 . 1 1 46 46 PRO CA C 13 61.17 0.20 . 1 . . . . 46 P CA . 4958 1 417 . 1 1 46 46 PRO CB C 13 29.12 0.20 . 1 . . . . 46 P CB . 4958 1 418 . 1 1 46 46 PRO CD C 13 50.49 0.20 . 1 . . . . 46 P CD . 4958 1 419 . 1 1 47 47 PRO HA H 1 4.39 0.05 . 1 . . . . 47 P HA . 4958 1 420 . 1 1 47 47 PRO HB2 H 1 1.85 0.05 . 2 . . . . 47 P HB2 . 4958 1 421 . 1 1 47 47 PRO HB3 H 1 2.21 0.05 . 2 . . . . 47 P HB3 . 4958 1 422 . 1 1 47 47 PRO HG2 H 1 1.95 0.05 . 1 . . . . 47 P HG . 4958 1 423 . 1 1 47 47 PRO HG3 H 1 1.95 0.05 . 1 . . . . 47 P HG . 4958 1 424 . 1 1 47 47 PRO HD2 H 1 3.59 0.05 . 2 . . . . 47 P HD2 . 4958 1 425 . 1 1 47 47 PRO HD3 H 1 3.75 0.05 . 2 . . . . 47 P HD3 . 4958 1 426 . 1 1 47 47 PRO C C 13 177.36 0.20 . 1 . . . . 47 P C . 4958 1 427 . 1 1 47 47 PRO CA C 13 61.13 0.20 . 1 . . . . 47 P CA . 4958 1 428 . 1 1 47 47 PRO CB C 13 31.95 0.20 . 1 . . . . 47 P CB . 4958 1 429 . 1 1 47 47 PRO CG C 13 26.99 0.20 . 1 . . . . 47 P CG . 4958 1 430 . 1 1 47 47 PRO CD C 13 48.88 0.20 . 1 . . . . 47 P CD . 4958 1 431 . 1 1 48 48 ASP H H 1 8.75 0.02 . 1 . . . . 48 D HN . 4958 1 432 . 1 1 48 48 ASP HA H 1 5.15 0.05 . 1 . . . . 48 D HA . 4958 1 433 . 1 1 48 48 ASP HB2 H 1 2.44 0.05 . 2 . . . . 48 D HB2 . 4958 1 434 . 1 1 48 48 ASP HB3 H 1 2.89 0.05 . 2 . . . . 48 D HB3 . 4958 1 435 . 1 1 48 48 ASP C C 13 178.45 0.20 . 1 . . . . 48 D C . 4958 1 436 . 1 1 48 48 ASP CA C 13 54.92 0.20 . 1 . . . . 48 D CA . 4958 1 437 . 1 1 48 48 ASP CB C 13 39.64 0.20 . 1 . . . . 48 D CB . 4958 1 438 . 1 1 48 48 ASP CG C 13 178.35 0.20 . 1 . . . . 48 D CG . 4958 1 439 . 1 1 48 48 ASP N N 15 120.73 0.33 . 1 . . . . 48 D N . 4958 1 440 . 1 1 49 49 CYS H H 1 8.03 0.02 . 1 . . . . 49 C HN . 4958 1 441 . 1 1 49 49 CYS HA H 1 4.25 0.05 . 1 . . . . 49 C HA . 4958 1 442 . 1 1 49 49 CYS HB2 H 1 2.33 0.05 . 2 . . . . 49 C HB2 . 4958 1 443 . 1 1 49 49 CYS HB3 H 1 3.31 0.05 . 2 . . . . 49 C HB3 . 4958 1 444 . 1 1 49 49 CYS C C 13 176.84 0.20 . 1 . . . . 49 C C . 4958 1 445 . 1 1 49 49 CYS CA C 13 57.54 0.20 . 1 . . . . 49 C CA . 4958 1 446 . 1 1 49 49 CYS CB C 13 39.95 0.20 . 1 . . . . 49 C CB . 4958 1 447 . 1 1 49 49 CYS N N 15 122.34 0.33 . 1 . . . . 49 C N . 4958 1 448 . 1 1 50 50 THR H H 1 8.57 0.02 . 1 . . . . 50 T HN . 4958 1 449 . 1 1 50 50 THR HA H 1 3.63 0.05 . 1 . . . . 50 T HA . 4958 1 450 . 1 1 50 50 THR HB H 1 4.27 0.05 . 1 . . . . 50 T HB . 4958 1 451 . 1 1 50 50 THR HG21 H 1 1.27 0.05 . 1 . . . . 50 T HG2 . 4958 1 452 . 1 1 50 50 THR HG22 H 1 1.27 0.05 . 1 . . . . 50 T HG2 . 4958 1 453 . 1 1 50 50 THR HG23 H 1 1.27 0.05 . 1 . . . . 50 T HG2 . 4958 1 454 . 1 1 50 50 THR C C 13 176.75 0.20 . 1 . . . . 50 T C . 4958 1 455 . 1 1 50 50 THR CA C 13 65.00 0.20 . 1 . . . . 50 T CA . 4958 1 456 . 1 1 50 50 THR CB C 13 66.64 0.20 . 1 . . . . 50 T CB . 4958 1 457 . 1 1 50 50 THR CG2 C 13 22.18 0.20 . 1 . . . . 50 T CG2 . 4958 1 458 . 1 1 50 50 THR N N 15 109.49 0.33 . 1 . . . . 50 T N . 4958 1 459 . 1 1 51 51 ALA H H 1 7.15 0.02 . 1 . . . . 51 A HN . 4958 1 460 . 1 1 51 51 ALA HA H 1 4.39 0.05 . 1 . . . . 51 A HA . 4958 1 461 . 1 1 51 51 ALA HB1 H 1 1.65 0.05 . 1 . . . . 51 A HB . 4958 1 462 . 1 1 51 51 ALA HB2 H 1 1.65 0.05 . 1 . . . . 51 A HB . 4958 1 463 . 1 1 51 51 ALA HB3 H 1 1.65 0.05 . 1 . . . . 51 A HB . 4958 1 464 . 1 1 51 51 ALA C C 13 178.70 0.20 . 1 . . . . 51 A C . 4958 1 465 . 1 1 51 51 ALA CA C 13 53.98 0.20 . 1 . . . . 51 A CA . 4958 1 466 . 1 1 51 51 ALA CB C 13 19.63 0.20 . 1 . . . . 51 A CB . 4958 1 467 . 1 1 51 51 ALA N N 15 124.26 0.33 . 1 . . . . 51 A N . 4958 1 468 . 1 1 52 52 VAL H H 1 7.01 0.02 . 1 . . . . 52 V HN . 4958 1 469 . 1 1 52 52 VAL HA H 1 4.69 0.05 . 1 . . . . 52 V HA . 4958 1 470 . 1 1 52 52 VAL HB H 1 2.59 0.05 . 1 . . . . 52 V HB . 4958 1 471 . 1 1 52 52 VAL HG11 H 1 0.94 0.05 . 1 . . . . 52 V HG1 . 4958 1 472 . 1 1 52 52 VAL HG12 H 1 0.94 0.05 . 1 . . . . 52 V HG1 . 4958 1 473 . 1 1 52 52 VAL HG13 H 1 0.94 0.05 . 1 . . . . 52 V HG1 . 4958 1 474 . 1 1 52 52 VAL HG21 H 1 0.92 0.05 . 1 . . . . 52 V HG2 . 4958 1 475 . 1 1 52 52 VAL HG22 H 1 0.92 0.05 . 1 . . . . 52 V HG2 . 4958 1 476 . 1 1 52 52 VAL HG23 H 1 0.92 0.05 . 1 . . . . 52 V HG2 . 4958 1 477 . 1 1 52 52 VAL C C 13 176.06 0.20 . 1 . . . . 52 V C . 4958 1 478 . 1 1 52 52 VAL CA C 13 59.81 0.20 . 1 . . . . 52 V CA . 4958 1 479 . 1 1 52 52 VAL CB C 13 30.65 0.20 . 1 . . . . 52 V CB . 4958 1 480 . 1 1 52 52 VAL CG1 C 13 21.14 0.20 . 1 . . . . 52 V CG1 . 4958 1 481 . 1 1 52 52 VAL CG2 C 13 18.44 0.20 . 1 . . . . 52 V CG2 . 4958 1 482 . 1 1 52 52 VAL N N 15 108.20 0.33 . 1 . . . . 52 V N . 4958 1 483 . 1 1 53 53 GLY H H 1 7.50 0.02 . 1 . . . . 53 G HN . 4958 1 484 . 1 1 53 53 GLY HA2 H 1 3.88 0.05 . 2 . . . . 53 G HA2 . 4958 1 485 . 1 1 53 53 GLY HA3 H 1 4.01 0.05 . 2 . . . . 53 G HA3 . 4958 1 486 . 1 1 53 53 GLY C C 13 174.07 0.20 . 1 . . . . 53 G C . 4958 1 487 . 1 1 53 53 GLY CA C 13 46.22 0.20 . 1 . . . . 53 G CA . 4958 1 488 . 1 1 53 53 GLY N N 15 106.92 0.33 . 1 . . . . 53 G N . 4958 1 489 . 1 1 54 54 ARG H H 1 7.69 0.02 . 1 . . . . 54 R HN . 4958 1 490 . 1 1 54 54 ARG HA H 1 5.12 0.05 . 1 . . . . 54 R HA . 4958 1 491 . 1 1 54 54 ARG HB2 H 1 1.51 0.05 . 2 . . . . 54 R HB2 . 4958 1 492 . 1 1 54 54 ARG HB3 H 1 1.80 0.05 . 2 . . . . 54 R HB3 . 4958 1 493 . 1 1 54 54 ARG HG2 H 1 1.43 0.05 . 1 . . . . 54 R HG . 4958 1 494 . 1 1 54 54 ARG HG3 H 1 1.43 0.05 . 1 . . . . 54 R HG . 4958 1 495 . 1 1 54 54 ARG HD2 H 1 3.41 0.05 . 1 . . . . 54 R HD . 4958 1 496 . 1 1 54 54 ARG HD3 H 1 3.41 0.05 . 1 . . . . 54 R HD . 4958 1 497 . 1 1 54 54 ARG HE H 1 9.22 0.05 . 1 . . . . 54 R HE . 4958 1 498 . 1 1 54 54 ARG C C 13 174.22 0.20 . 1 . . . . 54 R C . 4958 1 499 . 1 1 54 54 ARG CA C 13 49.45 0.20 . 1 . . . . 54 R CA . 4958 1 500 . 1 1 54 54 ARG CB C 13 28.06 0.20 . 1 . . . . 54 R CB . 4958 1 501 . 1 1 54 54 ARG CG C 13 24.32 0.20 . 1 . . . . 54 R CG . 4958 1 502 . 1 1 54 54 ARG CD C 13 39.27 0.20 . 1 . . . . 54 R CD . 4958 1 503 . 1 1 54 54 ARG CZ C 13 159.05 0.20 . 1 . . . . 54 R CZ . 4958 1 504 . 1 1 54 54 ARG N N 15 113.66 0.33 . 1 . . . . 54 R N . 4958 1 505 . 1 1 54 54 ARG NE N 15 124.58 0.33 . 1 . . . . 54 R NE . 4958 1 506 . 1 1 55 55 PRO HA H 1 4.09 0.05 . 1 . . . . 55 P HA . 4958 1 507 . 1 1 55 55 PRO HB2 H 1 2.14 0.05 . 2 . . . . 55 P HB2 . 4958 1 508 . 1 1 55 55 PRO HB3 H 1 2.28 0.05 . 2 . . . . 55 P HB3 . 4958 1 509 . 1 1 55 55 PRO HG2 H 1 1.98 0.05 . 2 . . . . 55 P HG2 . 4958 1 510 . 1 1 55 55 PRO HG3 H 1 2.03 0.05 . 2 . . . . 55 P HG3 . 4958 1 511 . 1 1 55 55 PRO HD2 H 1 3.74 0.05 . 2 . . . . 55 P HD2 . 4958 1 512 . 1 1 55 55 PRO HD3 H 1 3.81 0.05 . 2 . . . . 55 P HD3 . 4958 1 513 . 1 1 55 55 PRO C C 13 177.98 0.20 . 1 . . . . 55 P C . 4958 1 514 . 1 1 55 55 PRO CA C 13 64.97 0.20 . 1 . . . . 55 P CA . 4958 1 515 . 1 1 55 55 PRO CB C 13 31.07 0.20 . 1 . . . . 55 P CB . 4958 1 516 . 1 1 55 55 PRO CG C 13 26.95 0.20 . 1 . . . . 55 P CG . 4958 1 517 . 1 1 55 55 PRO CD C 13 49.95 0.20 . 1 . . . . 55 P CD . 4958 1 518 . 1 1 56 56 ASP H H 1 9.55 0.02 . 1 . . . . 56 D HN . 4958 1 519 . 1 1 56 56 ASP HA H 1 4.14 0.05 . 1 . . . . 56 D HA . 4958 1 520 . 1 1 56 56 ASP HB2 H 1 2.50 0.05 . 2 . . . . 56 D HB2 . 4958 1 521 . 1 1 56 56 ASP HB3 H 1 2.74 0.05 . 2 . . . . 56 D HB3 . 4958 1 522 . 1 1 56 56 ASP C C 13 175.48 0.20 . 1 . . . . 56 D C . 4958 1 523 . 1 1 56 56 ASP CA C 13 54.62 0.20 . 1 . . . . 56 D CA . 4958 1 524 . 1 1 56 56 ASP CB C 13 37.10 0.20 . 1 . . . . 56 D CB . 4958 1 525 . 1 1 56 56 ASP CG C 13 181.70 0.20 . 1 . . . . 56 D CG . 4958 1 526 . 1 1 56 56 ASP N N 15 116.72 0.33 . 1 . . . . 56 D N . 4958 1 527 . 1 1 57 57 CYS H H 1 7.41 0.02 . 1 . . . . 57 C HN . 4958 1 528 . 1 1 57 57 CYS HA H 1 4.28 0.05 . 1 . . . . 57 C HA . 4958 1 529 . 1 1 57 57 CYS HB2 H 1 3.02 0.05 . 2 . . . . 57 C HB2 . 4958 1 530 . 1 1 57 57 CYS HB3 H 1 3.30 0.05 . 2 . . . . 57 C HB3 . 4958 1 531 . 1 1 57 57 CYS C C 13 172.65 0.20 . 1 . . . . 57 C C . 4958 1 532 . 1 1 57 57 CYS CA C 13 56.90 0.20 . 1 . . . . 57 C CA . 4958 1 533 . 1 1 57 57 CYS CB C 13 43.60 0.20 . 1 . . . . 57 C CB . 4958 1 534 . 1 1 57 57 CYS N N 15 115.11 0.33 . 1 . . . . 57 C N . 4958 1 535 . 1 1 58 58 ASN H H 1 7.30 0.02 . 1 . . . . 58 N HN . 4958 1 536 . 1 1 58 58 ASN HA H 1 4.70 0.05 . 1 . . . . 58 N HA . 4958 1 537 . 1 1 58 58 ASN HB2 H 1 2.19 0.05 . 2 . . . . 58 N HB2 . 4958 1 538 . 1 1 58 58 ASN HB3 H 1 3.28 0.05 . 2 . . . . 58 N HB3 . 4958 1 539 . 1 1 58 58 ASN HD21 H 1 7.97 0.05 . 2 . . . . 58 N HD21 . 4958 1 540 . 1 1 58 58 ASN HD22 H 1 6.71 0.05 . 2 . . . . 58 N HD22 . 4958 1 541 . 1 1 58 58 ASN C C 13 177.50 0.20 . 1 . . . . 58 N C . 4958 1 542 . 1 1 58 58 ASN CA C 13 52.25 0.20 . 1 . . . . 58 N CA . 4958 1 543 . 1 1 58 58 ASN CB C 13 37.68 0.20 . 1 . . . . 58 N CB . 4958 1 544 . 1 1 58 58 ASN CG C 13 177.30 0.20 . 1 . . . . 58 N CG . 4958 1 545 . 1 1 58 58 ASN N N 15 118.00 0.33 . 1 . . . . 58 N N . 4958 1 546 . 1 1 58 58 ASN ND2 N 15 113.34 0.33 . 1 . . . . 58 N ND2 . 4958 1 547 . 1 1 59 59 VAL H H 1 8.06 0.02 . 1 . . . . 59 V HN . 4958 1 548 . 1 1 59 59 VAL HA H 1 4.34 0.05 . 1 . . . . 59 V HA . 4958 1 549 . 1 1 59 59 VAL HB H 1 1.91 0.05 . 1 . . . . 59 V HB . 4958 1 550 . 1 1 59 59 VAL HG11 H 1 0.83 0.05 . 1 . . . . 59 V HG1 . 4958 1 551 . 1 1 59 59 VAL HG12 H 1 0.83 0.05 . 1 . . . . 59 V HG1 . 4958 1 552 . 1 1 59 59 VAL HG13 H 1 0.83 0.05 . 1 . . . . 59 V HG1 . 4958 1 553 . 1 1 59 59 VAL HG21 H 1 0.78 0.05 . 1 . . . . 59 V HG2 . 4958 1 554 . 1 1 59 59 VAL HG22 H 1 0.78 0.05 . 1 . . . . 59 V HG2 . 4958 1 555 . 1 1 59 59 VAL HG23 H 1 0.78 0.05 . 1 . . . . 59 V HG2 . 4958 1 556 . 1 1 59 59 VAL C C 13 171.02 0.20 . 1 . . . . 59 V C . 4958 1 557 . 1 1 59 59 VAL CA C 13 60.54 0.20 . 1 . . . . 59 V CA . 4958 1 558 . 1 1 59 59 VAL CB C 13 35.50 0.20 . 1 . . . . 59 V CB . 4958 1 559 . 1 1 59 59 VAL CG1 C 13 20.05 0.20 . 1 . . . . 59 V CG1 . 4958 1 560 . 1 1 59 59 VAL CG2 C 13 20.05 0.20 . 1 . . . . 59 V CG2 . 4958 1 561 . 1 1 59 59 VAL N N 15 119.28 0.33 . 1 . . . . 59 V N . 4958 1 562 . 1 1 60 60 LEU H H 1 7.65 0.02 . 1 . . . . 60 L HN . 4958 1 563 . 1 1 60 60 LEU HA H 1 4.77 0.05 . 1 . . . . 60 L HA . 4958 1 564 . 1 1 60 60 LEU HB2 H 1 1.28 0.05 . 2 . . . . 60 L HB2 . 4958 1 565 . 1 1 60 60 LEU HB3 H 1 1.64 0.05 . 2 . . . . 60 L HB3 . 4958 1 566 . 1 1 60 60 LEU HG H 1 1.70 0.05 . 1 . . . . 60 L HG . 4958 1 567 . 1 1 60 60 LEU HD11 H 1 0.95 0.05 . 1 . . . . 60 L HD1 . 4958 1 568 . 1 1 60 60 LEU HD12 H 1 0.95 0.05 . 1 . . . . 60 L HD1 . 4958 1 569 . 1 1 60 60 LEU HD13 H 1 0.95 0.05 . 1 . . . . 60 L HD1 . 4958 1 570 . 1 1 60 60 LEU HD21 H 1 0.89 0.05 . 1 . . . . 60 L HD2 . 4958 1 571 . 1 1 60 60 LEU HD22 H 1 0.89 0.05 . 1 . . . . 60 L HD2 . 4958 1 572 . 1 1 60 60 LEU HD23 H 1 0.89 0.05 . 1 . . . . 60 L HD2 . 4958 1 573 . 1 1 60 60 LEU C C 13 176.60 0.20 . 1 . . . . 60 L C . 4958 1 574 . 1 1 60 60 LEU CA C 13 51.42 0.20 . 1 . . . . 60 L CA . 4958 1 575 . 1 1 60 60 LEU CB C 13 43.54 0.20 . 1 . . . . 60 L CB . 4958 1 576 . 1 1 60 60 LEU CG C 13 26.99 0.20 . 1 . . . . 60 L CG . 4958 1 577 . 1 1 60 60 LEU CD1 C 13 23.78 0.20 . 1 . . . . 60 L CD1 . 4958 1 578 . 1 1 60 60 LEU CD2 C 13 25.39 0.20 . 1 . . . . 60 L CD2 . 4958 1 579 . 1 1 60 60 LEU N N 15 118.32 0.33 . 1 . . . . 60 L N . 4958 1 580 . 1 1 62 62 PHE HA H 1 5.29 0.05 . 1 . . . . 62 F HA . 4958 1 581 . 1 1 62 62 PHE HB2 H 1 3.03 0.05 . 2 . . . . 62 F HB2 . 4958 1 582 . 1 1 62 62 PHE HB3 H 1 3.21 0.05 . 2 . . . . 62 F HB3 . 4958 1 583 . 1 1 62 62 PHE HD1 H 1 7.52 0.05 . 1 . . . . 62 F HD . 4958 1 584 . 1 1 62 62 PHE HD2 H 1 7.52 0.05 . 1 . . . . 62 F HD . 4958 1 585 . 1 1 62 62 PHE HE1 H 1 7.58 0.05 . 1 . . . . 62 F HE . 4958 1 586 . 1 1 62 62 PHE HE2 H 1 7.58 0.05 . 1 . . . . 62 F HE . 4958 1 587 . 1 1 62 62 PHE HZ H 1 7.87 0.05 . 1 . . . . 62 F HZ . 4958 1 588 . 1 1 62 62 PHE C C 13 174.91 0.20 . 1 . . . . 62 F C . 4958 1 589 . 1 1 62 62 PHE CA C 13 55.29 0.20 . 1 . . . . 62 F CA . 4958 1 590 . 1 1 62 62 PHE CB C 13 39.80 0.20 . 1 . . . . 62 F CB . 4958 1 591 . 1 1 63 63 PRO HA H 1 4.28 0.05 . 1 . . . . 63 P HA . 4958 1 592 . 1 1 63 63 PRO HB2 H 1 1.74 0.05 . 2 . . . . 63 P HB2 . 4958 1 593 . 1 1 63 63 PRO HB3 H 1 2.17 0.05 . 2 . . . . 63 P HB3 . 4958 1 594 . 1 1 63 63 PRO HG2 H 1 1.80 0.05 . 2 . . . . 63 P HG2 . 4958 1 595 . 1 1 63 63 PRO HG3 H 1 2.20 0.05 . 2 . . . . 63 P HG3 . 4958 1 596 . 1 1 63 63 PRO HD2 H 1 2.95 0.05 . 2 . . . . 63 P HD2 . 4958 1 597 . 1 1 63 63 PRO HD3 H 1 4.10 0.05 . 2 . . . . 63 P HD3 . 4958 1 598 . 1 1 63 63 PRO C C 13 177.44 0.20 . 1 . . . . 63 P C . 4958 1 599 . 1 1 63 63 PRO CA C 13 63.03 0.20 . 1 . . . . 63 P CA . 4958 1 600 . 1 1 63 63 PRO CB C 13 33.04 0.20 . 1 . . . . 63 P CB . 4958 1 601 . 1 1 63 63 PRO CG C 13 27.52 0.20 . 1 . . . . 63 P CG . 4958 1 602 . 1 1 63 63 PRO CD C 13 50.49 0.20 . 1 . . . . 63 P CD . 4958 1 603 . 1 1 64 64 ASN H H 1 8.51 0.02 . 1 . . . . 64 N HN . 4958 1 604 . 1 1 64 64 ASN HA H 1 4.76 0.05 . 1 . . . . 64 N HA . 4958 1 605 . 1 1 64 64 ASN HB2 H 1 2.90 0.05 . 2 . . . . 64 N HB2 . 4958 1 606 . 1 1 64 64 ASN HB3 H 1 3.10 0.05 . 2 . . . . 64 N HB3 . 4958 1 607 . 1 1 64 64 ASN HD21 H 1 7.64 0.05 . 2 . . . . 64 N HD21 . 4958 1 608 . 1 1 64 64 ASN HD22 H 1 6.90 0.05 . 2 . . . . 64 N HD22 . 4958 1 609 . 1 1 64 64 ASN C C 13 176.92 0.20 . 1 . . . . 64 N C . 4958 1 610 . 1 1 64 64 ASN CA C 13 53.02 0.20 . 1 . . . . 64 N CA . 4958 1 611 . 1 1 64 64 ASN CB C 13 39.50 0.20 . 1 . . . . 64 N CB . 4958 1 612 . 1 1 64 64 ASN CG C 13 176.82 0.20 . 1 . . . . 64 N CG . 4958 1 613 . 1 1 64 64 ASN N N 15 120.25 0.33 . 1 . . . . 64 N N . 4958 1 614 . 1 1 64 64 ASN ND2 N 15 111.74 0.33 . 1 . . . . 64 N ND2 . 4958 1 615 . 1 1 65 65 ASN H H 1 8.41 0.02 . 1 . . . . 65 N HN . 4958 1 616 . 1 1 65 65 ASN HA H 1 4.97 0.05 . 1 . . . . 65 N HA . 4958 1 617 . 1 1 65 65 ASN HB2 H 1 2.80 0.05 . 2 . . . . 65 N HB2 . 4958 1 618 . 1 1 65 65 ASN HB3 H 1 3.02 0.05 . 2 . . . . 65 N HB3 . 4958 1 619 . 1 1 65 65 ASN HD21 H 1 7.57 0.05 . 2 . . . . 65 N HD21 . 4958 1 620 . 1 1 65 65 ASN HD22 H 1 6.73 0.05 . 2 . . . . 65 N HD22 . 4958 1 621 . 1 1 65 65 ASN C C 13 175.89 0.20 . 1 . . . . 65 N C . 4958 1 622 . 1 1 65 65 ASN CA C 13 53.30 0.20 . 1 . . . . 65 N CA . 4958 1 623 . 1 1 65 65 ASN CB C 13 38.28 0.20 . 1 . . . . 65 N CB . 4958 1 624 . 1 1 65 65 ASN CG C 13 178.04 0.20 . 1 . . . . 65 N CG . 4958 1 625 . 1 1 65 65 ASN N N 15 115.59 0.33 . 1 . . . . 65 N N . 4958 1 626 . 1 1 65 65 ASN ND2 N 15 111.09 0.33 . 1 . . . . 65 N ND2 . 4958 1 627 . 1 1 66 66 ILE H H 1 7.76 0.02 . 1 . . . . 66 I HN . 4958 1 628 . 1 1 66 66 ILE HA H 1 4.75 0.05 . 1 . . . . 66 I HA . 4958 1 629 . 1 1 66 66 ILE HB H 1 2.12 0.05 . 1 . . . . 66 I HB . 4958 1 630 . 1 1 66 66 ILE HG12 H 1 0.65 0.05 . 2 . . . . 66 I HG12 . 4958 1 631 . 1 1 66 66 ILE HG13 H 1 1.28 0.05 . 2 . . . . 66 I HG13 . 4958 1 632 . 1 1 66 66 ILE HG21 H 1 0.78 0.05 . 1 . . . . 66 I HG2 . 4958 1 633 . 1 1 66 66 ILE HG22 H 1 0.78 0.05 . 1 . . . . 66 I HG2 . 4958 1 634 . 1 1 66 66 ILE HG23 H 1 0.78 0.05 . 1 . . . . 66 I HG2 . 4958 1 635 . 1 1 66 66 ILE HD11 H 1 0.63 0.05 . 1 . . . . 66 I HD1 . 4958 1 636 . 1 1 66 66 ILE HD12 H 1 0.63 0.05 . 1 . . . . 66 I HD1 . 4958 1 637 . 1 1 66 66 ILE HD13 H 1 0.63 0.05 . 1 . . . . 66 I HD1 . 4958 1 638 . 1 1 66 66 ILE C C 13 177.01 0.20 . 1 . . . . 66 I C . 4958 1 639 . 1 1 66 66 ILE CA C 13 60.60 0.20 . 1 . . . . 66 I CA . 4958 1 640 . 1 1 66 66 ILE CB C 13 38.50 0.20 . 1 . . . . 66 I CB . 4958 1 641 . 1 1 66 66 ILE CG1 C 13 26.45 0.20 . 1 . . . . 66 I CG1 . 4958 1 642 . 1 1 66 66 ILE CG2 C 13 16.84 0.20 . 1 . . . . 66 I CG2 . 4958 1 643 . 1 1 66 66 ILE CD1 C 13 13.64 0.20 . 1 . . . . 66 I CD1 . 4958 1 644 . 1 1 66 66 ILE N N 15 111.58 0.33 . 1 . . . . 66 I N . 4958 1 645 . 1 1 67 67 GLY H H 1 8.70 0.02 . 1 . . . . 67 G HN . 4958 1 646 . 1 1 67 67 GLY HA2 H 1 3.79 0.05 . 2 . . . . 67 G HA2 . 4958 1 647 . 1 1 67 67 GLY HA3 H 1 3.85 0.05 . 2 . . . . 67 G HA3 . 4958 1 648 . 1 1 67 67 GLY C C 13 176.42 0.20 . 1 . . . . 67 G C . 4958 1 649 . 1 1 67 67 GLY CA C 13 46.86 0.20 . 1 . . . . 67 G CA . 4958 1 650 . 1 1 67 67 GLY N N 15 113.82 0.33 . 1 . . . . 67 G N . 4958 1 651 . 1 1 68 68 CYS H H 1 9.01 0.02 . 1 . . . . 68 C HN . 4958 1 652 . 1 1 68 68 CYS HA H 1 4.39 0.05 . 1 . . . . 68 C HA . 4958 1 653 . 1 1 68 68 CYS HB2 H 1 2.72 0.05 . 2 . . . . 68 C HB2 . 4958 1 654 . 1 1 68 68 CYS HB3 H 1 3.19 0.05 . 2 . . . . 68 C HB3 . 4958 1 655 . 1 1 68 68 CYS C C 13 173.48 0.20 . 1 . . . . 68 C C . 4958 1 656 . 1 1 68 68 CYS CA C 13 56.26 0.20 . 1 . . . . 68 C CA . 4958 1 657 . 1 1 68 68 CYS CB C 13 41.94 0.20 . 1 . . . . 68 C CB . 4958 1 658 . 1 1 68 68 CYS N N 15 119.61 0.33 . 1 . . . . 68 C N . 4958 1 659 . 1 1 69 69 PRO HA H 1 4.78 0.05 . 9 . . . . 69 P HA . 4958 1 660 . 1 1 69 69 PRO HB2 H 1 2.00 0.05 . 9 . . . . 69 P HB2 . 4958 1 661 . 1 1 69 69 PRO HB3 H 1 2.26 0.05 . 9 . . . . 69 P HB3 . 4958 1 662 . 1 1 69 69 PRO HG2 H 1 1.50 0.05 . 9 . . . . 69 P HG2 . 4958 1 663 . 1 1 69 69 PRO HG3 H 1 2.19 0.05 . 9 . . . . 69 P HG3 . 4958 1 664 . 1 1 69 69 PRO HD2 H 1 3.80 0.05 . 9 . . . . 69 P HD . 4958 1 665 . 1 1 69 69 PRO HD3 H 1 3.80 0.05 . 9 . . . . 69 P HD . 4958 1 666 . 1 1 69 69 PRO C C 13 174.35 0.20 . 9 . . . . 69 P C . 4958 1 667 . 1 1 69 69 PRO CA C 13 61.75 0.20 . 9 . . . . 69 P CA . 4958 1 668 . 1 1 69 69 PRO CB C 13 32.20 0.20 . 9 . . . . 69 P CB . 4958 1 669 . 1 1 69 69 PRO CG C 13 25.92 0.20 . 9 . . . . 69 P CG . 4958 1 670 . 1 1 69 69 PRO CD C 13 49.95 0.20 . 9 . . . . 69 P CD . 4958 1 671 . 1 1 70 70 SER H H 1 8.26 0.02 . 9 . . . . 70 S HN . 4958 1 672 . 1 1 70 70 SER HA H 1 4.36 0.05 . 9 . . . . 70 S HA . 4958 1 673 . 1 1 70 70 SER HB2 H 1 3.80 0.05 . 9 . . . . 70 S HB . 4958 1 674 . 1 1 70 70 SER HB3 H 1 3.80 0.05 . 9 . . . . 70 S HB . 4958 1 675 . 1 1 70 70 SER C C 13 173.14 0.20 . 9 . . . . 70 S C . 4958 1 676 . 1 1 70 70 SER CA C 13 60.90 0.20 . 9 . . . . 70 S CA . 4958 1 677 . 1 1 70 70 SER CB C 13 64.04 0.20 . 9 . . . . 70 S CB . 4958 1 678 . 1 1 70 70 SER N N 15 111.90 0.33 . 9 . . . . 70 S N . 4958 1 679 . 1 1 71 71 CYS H H 1 7.70 0.02 . 1 . . . . 71 C HN . 4958 1 680 . 1 1 71 71 CYS HA H 1 5.26 0.05 . 1 . . . . 71 C HA . 4958 1 681 . 1 1 71 71 CYS HB2 H 1 2.94 0.05 . 2 . . . . 71 C HB2 . 4958 1 682 . 1 1 71 71 CYS HB3 H 1 3.03 0.05 . 2 . . . . 71 C HB3 . 4958 1 683 . 1 1 71 71 CYS C C 13 170.80 0.20 . 1 . . . . 71 C C . 4958 1 684 . 1 1 71 71 CYS CA C 13 53.35 0.20 . 1 . . . . 71 C CA . 4958 1 685 . 1 1 71 71 CYS CB C 13 43.24 0.20 . 1 . . . . 71 C CB . 4958 1 686 . 1 1 71 71 CYS N N 15 121.53 0.33 . 1 . . . . 71 C N . 4958 1 687 . 1 1 72 72 CYS H H 1 9.16 0.02 . 1 . . . . 72 C HN . 4958 1 688 . 1 1 72 72 CYS HA H 1 5.14 0.05 . 1 . . . . 72 C HA . 4958 1 689 . 1 1 72 72 CYS HB2 H 1 2.89 0.05 . 2 . . . . 72 C HB2 . 4958 1 690 . 1 1 72 72 CYS HB3 H 1 3.18 0.05 . 2 . . . . 72 C HB3 . 4958 1 691 . 1 1 72 72 CYS C C 13 172.78 0.20 . 1 . . . . 72 C C . 4958 1 692 . 1 1 72 72 CYS CA C 13 52.06 0.20 . 1 . . . . 72 C CA . 4958 1 693 . 1 1 72 72 CYS CB C 13 41.94 0.20 . 1 . . . . 72 C CB . 4958 1 694 . 1 1 72 72 CYS N N 15 117.04 0.33 . 1 . . . . 72 C N . 4958 1 695 . 1 1 73 73 PRO HA H 1 4.77 0.05 . 1 . . . . 73 P HA . 4958 1 696 . 1 1 73 73 PRO HB2 H 1 1.84 0.05 . 2 . . . . 73 P HB2 . 4958 1 697 . 1 1 73 73 PRO HB3 H 1 2.73 0.05 . 2 . . . . 73 P HB3 . 4958 1 698 . 1 1 73 73 PRO HG2 H 1 2.32 0.05 . 2 . . . . 73 P HG2 . 4958 1 699 . 1 1 73 73 PRO HG3 H 1 2.91 0.05 . 2 . . . . 73 P HG3 . 4958 1 700 . 1 1 73 73 PRO HD2 H 1 3.61 0.05 . 2 . . . . 73 P HD2 . 4958 1 701 . 1 1 73 73 PRO HD3 H 1 4.35 0.05 . 2 . . . . 73 P HD3 . 4958 1 702 . 1 1 73 73 PRO C C 13 176.93 0.20 . 1 . . . . 73 P C . 4958 1 703 . 1 1 73 73 PRO CA C 13 62.73 0.20 . 1 . . . . 73 P CA . 4958 1 704 . 1 1 73 73 PRO CB C 13 33.40 0.20 . 1 . . . . 73 P CB . 4958 1 705 . 1 1 73 73 PRO CG C 13 28.05 0.20 . 1 . . . . 73 P CG . 4958 1 706 . 1 1 73 73 PRO CD C 13 52.09 0.20 . 1 . . . . 73 P CD . 4958 1 707 . 1 1 74 74 PHE H H 1 9.32 0.02 . 1 . . . . 74 F HN . 4958 1 708 . 1 1 74 74 PHE HA H 1 4.21 0.05 . 1 . . . . 74 F HA . 4958 1 709 . 1 1 74 74 PHE HB2 H 1 3.14 0.05 . 2 . . . . 74 F HB2 . 4958 1 710 . 1 1 74 74 PHE HB3 H 1 3.40 0.05 . 2 . . . . 74 F HB3 . 4958 1 711 . 1 1 74 74 PHE HD1 H 1 7.23 0.05 . 1 . . . . 74 F HD . 4958 1 712 . 1 1 74 74 PHE HD2 H 1 7.23 0.05 . 1 . . . . 74 F HD . 4958 1 713 . 1 1 74 74 PHE HE1 H 1 7.37 0.05 . 1 . . . . 74 F HE . 4958 1 714 . 1 1 74 74 PHE HE2 H 1 7.37 0.05 . 1 . . . . 74 F HE . 4958 1 715 . 1 1 74 74 PHE HZ H 1 7.32 0.05 . 1 . . . . 74 F HZ . 4958 1 716 . 1 1 74 74 PHE C C 13 176.47 0.20 . 1 . . . . 74 F C . 4958 1 717 . 1 1 74 74 PHE CA C 13 60.78 0.20 . 1 . . . . 74 F CA . 4958 1 718 . 1 1 74 74 PHE CB C 13 38.98 0.20 . 1 . . . . 74 F CB . 4958 1 719 . 1 1 74 74 PHE N N 15 127.47 0.33 . 1 . . . . 74 F N . 4958 1 720 . 1 1 75 75 GLU H H 1 9.27 0.02 . 1 . . . . 75 E HN . 4958 1 721 . 1 1 75 75 GLU HA H 1 3.88 0.05 . 1 . . . . 75 E HA . 4958 1 722 . 1 1 75 75 GLU HB2 H 1 1.89 0.05 . 2 . . . . 75 E HB2 . 4958 1 723 . 1 1 75 75 GLU HB3 H 1 2.18 0.05 . 2 . . . . 75 E HB3 . 4958 1 724 . 1 1 75 75 GLU HG2 H 1 2.33 0.05 . 2 . . . . 75 E HG2 . 4958 1 725 . 1 1 75 75 GLU HG3 H 1 2.39 0.05 . 2 . . . . 75 E HG3 . 4958 1 726 . 1 1 75 75 GLU C C 13 177.43 0.20 . 1 . . . . 75 E C . 4958 1 727 . 1 1 75 75 GLU CA C 13 58.51 0.20 . 1 . . . . 75 E CA . 4958 1 728 . 1 1 75 75 GLU CB C 13 31.04 0.20 . 1 . . . . 75 E CB . 4958 1 729 . 1 1 75 75 GLU CG C 13 37.13 0.20 . 1 . . . . 75 E CG . 4958 1 730 . 1 1 75 75 GLU CD C 13 177.22 0.20 . 1 . . . . 75 E CD . 4958 1 731 . 1 1 75 75 GLU N N 15 114.79 0.33 . 1 . . . . 75 E N . 4958 1 732 . 1 1 76 76 CYS H H 1 7.43 0.02 . 1 . . . . 76 C HN . 4958 1 733 . 1 1 76 76 CYS HA H 1 4.42 0.05 . 1 . . . . 76 C HA . 4958 1 734 . 1 1 76 76 CYS HB2 H 1 2.33 0.05 . 2 . . . . 76 C HB2 . 4958 1 735 . 1 1 76 76 CYS HB3 H 1 2.91 0.05 . 2 . . . . 76 C HB3 . 4958 1 736 . 1 1 76 76 CYS C C 13 170.80 0.20 . 1 . . . . 76 C C . 4958 1 737 . 1 1 76 76 CYS CA C 13 51.76 0.20 . 1 . . . . 76 C CA . 4958 1 738 . 1 1 76 76 CYS CB C 13 37.14 0.20 . 1 . . . . 76 C CB . 4958 1 739 . 1 1 76 76 CYS N N 15 118.00 0.33 . 1 . . . . 76 C N . 4958 1 740 . 1 1 77 77 SER H H 1 6.98 0.02 . 1 . . . . 77 S HN . 4958 1 741 . 1 1 77 77 SER HA H 1 4.85 0.05 . 1 . . . . 77 S HA . 4958 1 742 . 1 1 77 77 SER HB2 H 1 3.36 0.05 . 2 . . . . 77 S HB2 . 4958 1 743 . 1 1 77 77 SER HB3 H 1 3.89 0.05 . 2 . . . . 77 S HB3 . 4958 1 744 . 1 1 77 77 SER C C 13 176.93 0.20 . 1 . . . . 77 S C . 4958 1 745 . 1 1 77 77 SER CA C 13 53.66 0.20 . 1 . . . . 77 S CA . 4958 1 746 . 1 1 77 77 SER CB C 13 64.62 0.20 . 1 . . . . 77 S CB . 4958 1 747 . 1 1 77 77 SER N N 15 113.50 0.33 . 1 . . . . 77 S N . 4958 1 748 . 1 1 78 78 PRO HA H 1 4.53 0.05 . 1 . . . . 78 P HA . 4958 1 749 . 1 1 78 78 PRO HB2 H 1 1.99 0.05 . 2 . . . . 78 P HB2 . 4958 1 750 . 1 1 78 78 PRO HB3 H 1 2.28 0.05 . 2 . . . . 78 P HB3 . 4958 1 751 . 1 1 78 78 PRO HG2 H 1 1.70 0.05 . 1 . . . . 78 P HG . 4958 1 752 . 1 1 78 78 PRO HG3 H 1 1.70 0.05 . 1 . . . . 78 P HG . 4958 1 753 . 1 1 78 78 PRO HD2 H 1 3.71 0.05 . 2 . . . . 78 P HD2 . 4958 1 754 . 1 1 78 78 PRO HD3 H 1 3.80 0.05 . 2 . . . . 78 P HD3 . 4958 1 755 . 1 1 78 78 PRO C C 13 175.64 0.20 . 1 . . . . 78 P C . 4958 1 756 . 1 1 78 78 PRO CA C 13 63.70 0.20 . 1 . . . . 78 P CA . 4958 1 757 . 1 1 78 78 PRO CB C 13 31.40 0.20 . 1 . . . . 78 P CB . 4958 1 758 . 1 1 78 78 PRO CG C 13 26.57 0.20 . 1 . . . . 78 P CG . 4958 1 759 . 1 1 78 78 PRO CD C 13 50.34 0.20 . 1 . . . . 78 P CD . 4958 1 760 . 1 1 79 79 ASP H H 1 7.90 0.02 . 1 . . . . 79 D HN . 4958 1 761 . 1 1 79 79 ASP HA H 1 4.63 0.05 . 1 . . . . 79 D HA . 4958 1 762 . 1 1 79 79 ASP HB2 H 1 2.46 0.05 . 2 . . . . 79 D HB2 . 4958 1 763 . 1 1 79 79 ASP HB3 H 1 2.74 0.05 . 2 . . . . 79 D HB3 . 4958 1 764 . 1 1 79 79 ASP C C 13 175.90 0.20 . 1 . . . . 79 D C . 4958 1 765 . 1 1 79 79 ASP CA C 13 53.06 0.20 . 1 . . . . 79 D CA . 4958 1 766 . 1 1 79 79 ASP CB C 13 40.60 0.20 . 1 . . . . 79 D CB . 4958 1 767 . 1 1 79 79 ASP CG C 13 179.85 0.20 . 1 . . . . 79 D CG . 4958 1 768 . 1 1 79 79 ASP N N 15 117.04 0.33 . 1 . . . . 79 D N . 4958 1 769 . 1 1 80 80 ASN H H 1 7.38 0.02 . 1 . . . . 80 N HN . 4958 1 770 . 1 1 80 80 ASN HA H 1 4.65 0.05 . 1 . . . . 80 N HA . 4958 1 771 . 1 1 80 80 ASN HB2 H 1 2.78 0.05 . 1 . . . . 80 N HB . 4958 1 772 . 1 1 80 80 ASN HB3 H 1 2.78 0.05 . 1 . . . . 80 N HB . 4958 1 773 . 1 1 80 80 ASN HD21 H 1 7.56 0.05 . 2 . . . . 80 N HD21 . 4958 1 774 . 1 1 80 80 ASN HD22 H 1 6.93 0.05 . 2 . . . . 80 N HD22 . 4958 1 775 . 1 1 80 80 ASN C C 13 173.51 0.20 . 1 . . . . 80 N C . 4958 1 776 . 1 1 80 80 ASN CA C 13 51.57 0.20 . 1 . . . . 80 N CA . 4958 1 777 . 1 1 80 80 ASN CB C 13 38.11 0.20 . 1 . . . . 80 N CB . 4958 1 778 . 1 1 80 80 ASN N N 15 122.18 0.33 . 1 . . . . 80 N N . 4958 1 779 . 1 1 80 80 ASN ND2 N 15 112.06 0.33 . 1 . . . . 80 N ND2 . 4958 1 780 . 1 1 81 81 PRO HA H 1 4.41 0.05 . 1 . . . . 81 P HA . 4958 1 781 . 1 1 81 81 PRO HB2 H 1 1.93 0.05 . 2 . . . . 81 P HB2 . 4958 1 782 . 1 1 81 81 PRO HB3 H 1 2.28 0.05 . 2 . . . . 81 P HB3 . 4958 1 783 . 1 1 81 81 PRO HG2 H 1 1.98 0.05 . 2 . . . . 81 P HG2 . 4958 1 784 . 1 1 81 81 PRO HG3 H 1 2.04 0.05 . 2 . . . . 81 P HG3 . 4958 1 785 . 1 1 81 81 PRO HD2 H 1 3.68 0.05 . 2 . . . . 81 P HD2 . 4958 1 786 . 1 1 81 81 PRO HD3 H 1 3.85 0.05 . 2 . . . . 81 P HD3 . 4958 1 787 . 1 1 81 81 PRO C C 13 176.67 0.20 . 1 . . . . 81 P C . 4958 1 788 . 1 1 81 81 PRO CA C 13 62.90 0.20 . 1 . . . . 81 P CA . 4958 1 789 . 1 1 81 81 PRO CB C 13 32.30 0.20 . 1 . . . . 81 P CB . 4958 1 790 . 1 1 81 81 PRO CG C 13 27.03 0.20 . 1 . . . . 81 P CG . 4958 1 791 . 1 1 81 81 PRO CD C 13 50.89 0.20 . 1 . . . . 81 P CD . 4958 1 792 . 1 1 82 82 MET H H 1 8.41 0.02 . 1 . . . . 82 M HN . 4958 1 793 . 1 1 82 82 MET HA H 1 4.28 0.05 . 1 . . . . 82 M HA . 4958 1 794 . 1 1 82 82 MET HB2 H 1 1.88 0.05 . 2 . . . . 82 M HB2 . 4958 1 795 . 1 1 82 82 MET HB3 H 1 2.00 0.05 . 2 . . . . 82 M HB3 . 4958 1 796 . 1 1 82 82 MET CA C 13 55.30 0.20 . 1 . . . . 82 M CA . 4958 1 797 . 1 1 82 82 MET N N 15 123.14 0.33 . 1 . . . . 82 M N . 4958 1 798 . 1 1 83 83 PHE HA H 1 4.34 0.05 . 1 . . . . 83 F HA . 4958 1 799 . 1 1 83 83 PHE HB2 H 1 2.71 0.05 . 2 . . . . 83 F HB2 . 4958 1 800 . 1 1 83 83 PHE HB3 H 1 2.74 0.05 . 2 . . . . 83 F HB3 . 4958 1 801 . 1 1 83 83 PHE C C 13 176.38 0.20 . 1 . . . . 83 F C . 4958 1 802 . 1 1 83 83 PHE CA C 13 56.28 0.20 . 1 . . . . 83 F CA . 4958 1 803 . 1 1 83 83 PHE CB C 13 39.23 0.20 . 1 . . . . 83 F CB . 4958 1 804 . 1 1 85 85 PRO HA H 1 4.45 0.05 . 9 . . . . 85 P HA . 4958 1 805 . 1 1 85 85 PRO HB2 H 1 1.95 0.05 . 9 . . . . 85 P HB2 . 4958 1 806 . 1 1 85 85 PRO HB3 H 1 2.27 0.05 . 9 . . . . 85 P HB3 . 4958 1 807 . 1 1 85 85 PRO HG2 H 1 1.92 0.05 . 9 . . . . 85 P HG . 4958 1 808 . 1 1 85 85 PRO HG3 H 1 1.92 0.05 . 9 . . . . 85 P HG . 4958 1 809 . 1 1 85 85 PRO HD2 H 1 3.70 0.05 . 9 . . . . 85 P HD2 . 4958 1 810 . 1 1 85 85 PRO HD3 H 1 3.80 0.05 . 9 . . . . 85 P HD3 . 4958 1 811 . 1 1 85 85 PRO C C 13 175.46 0.20 . 9 . . . . 85 P C . 4958 1 812 . 1 1 85 85 PRO CA C 13 62.82 0.20 . 9 . . . . 85 P CA . 4958 1 813 . 1 1 85 85 PRO CB C 13 32.10 0.20 . 9 . . . . 85 P CB . 4958 1 814 . 1 1 85 85 PRO CG C 13 24.85 0.20 . 9 . . . . 85 P CG . 4958 1 815 . 1 1 85 85 PRO CD C 13 50.27 0.20 . 9 . . . . 85 P CD . 4958 1 816 . 1 1 86 86 SER H H 1 8.02 0.02 . 9 . . . . 86 S HN . 4958 1 817 . 1 1 86 86 SER HA H 1 4.53 0.05 . 9 . . . . 86 S HA . 4958 1 818 . 1 1 86 86 SER HB2 H 1 3.68 0.05 . 9 . . . . 86 S HB . 4958 1 819 . 1 1 86 86 SER HB3 H 1 3.68 0.05 . 9 . . . . 86 S HB . 4958 1 820 . 1 1 86 86 SER CA C 13 55.28 0.20 . 9 . . . . 86 S CA . 4958 1 821 . 1 1 86 86 SER N N 15 115.42 0.33 . 9 . . . . 86 S N . 4958 1 822 . 1 1 87 87 PRO HA H 1 4.40 0.05 . 9 . . . . 87 P HA . 4958 1 823 . 1 1 87 87 PRO HB2 H 1 1.97 0.05 . 9 . . . . 87 P HB2 . 4958 1 824 . 1 1 87 87 PRO HB3 H 1 2.31 0.05 . 9 . . . . 87 P HB3 . 4958 1 825 . 1 1 87 87 PRO HG2 H 1 2.06 0.05 . 9 . . . . 87 P HG . 4958 1 826 . 1 1 87 87 PRO HG3 H 1 2.06 0.05 . 9 . . . . 87 P HG . 4958 1 827 . 1 1 87 87 PRO HD2 H 1 3.67 0.05 . 9 . . . . 87 P HD . 4958 1 828 . 1 1 87 87 PRO HD3 H 1 3.67 0.05 . 9 . . . . 87 P HD . 4958 1 829 . 1 1 87 87 PRO C C 13 176.84 0.20 . 9 . . . . 87 P C . 4958 1 830 . 1 1 87 87 PRO CA C 13 65.00 0.20 . 9 . . . . 87 P CA . 4958 1 831 . 1 1 87 87 PRO CB C 13 31.74 0.20 . 9 . . . . 87 P CB . 4958 1 832 . 1 1 87 87 PRO CG C 13 27.26 0.20 . 9 . . . . 87 P CG . 4958 1 833 . 1 1 87 87 PRO CD C 13 50.96 0.20 . 9 . . . . 87 P CD . 4958 1 834 . 1 1 88 88 ASP H H 1 7.86 0.02 . 1 . . . . 88 D HN . 4958 1 835 . 1 1 88 88 ASP HA H 1 4.58 0.05 . 1 . . . . 88 D HA . 4958 1 836 . 1 1 88 88 ASP HB2 H 1 2.63 0.05 . 2 . . . . 88 D HB2 . 4958 1 837 . 1 1 88 88 ASP HB3 H 1 2.93 0.05 . 2 . . . . 88 D HB3 . 4958 1 838 . 1 1 88 88 ASP C C 13 176.85 0.20 . 1 . . . . 88 D C . 4958 1 839 . 1 1 88 88 ASP CA C 13 53.88 0.20 . 1 . . . . 88 D CA . 4958 1 840 . 1 1 88 88 ASP CB C 13 40.36 0.20 . 1 . . . . 88 D CB . 4958 1 841 . 1 1 88 88 ASP CG C 13 180.56 0.20 . 1 . . . . 88 D CG . 4958 1 842 . 1 1 88 88 ASP N N 15 115.11 0.33 . 1 . . . . 88 D N . 4958 1 843 . 1 1 89 89 GLY H H 1 8.22 0.02 . 1 . . . . 89 G HN . 4958 1 844 . 1 1 89 89 GLY HA2 H 1 3.71 0.05 . 2 . . . . 89 G HA2 . 4958 1 845 . 1 1 89 89 GLY HA3 H 1 4.20 0.05 . 2 . . . . 89 G HA3 . 4958 1 846 . 1 1 89 89 GLY C C 13 174.34 0.20 . 1 . . . . 89 G C . 4958 1 847 . 1 1 89 89 GLY CA C 13 45.06 0.20 . 1 . . . . 89 G CA . 4958 1 848 . 1 1 89 89 GLY N N 15 108.69 0.33 . 1 . . . . 89 G N . 4958 1 849 . 1 1 90 90 SER H H 1 8.10 0.02 . 1 . . . . 90 S HN . 4958 1 850 . 1 1 90 90 SER HA H 1 4.63 0.05 . 1 . . . . 90 S HA . 4958 1 851 . 1 1 90 90 SER HB2 H 1 3.88 0.05 . 1 . . . . 90 S HB . 4958 1 852 . 1 1 90 90 SER HB3 H 1 3.88 0.05 . 1 . . . . 90 S HB . 4958 1 853 . 1 1 90 90 SER C C 13 176.43 0.20 . 1 . . . . 90 S C . 4958 1 854 . 1 1 90 90 SER CA C 13 57.67 0.20 . 1 . . . . 90 S CA . 4958 1 855 . 1 1 90 90 SER CB C 13 62.22 0.20 . 1 . . . . 90 S CB . 4958 1 856 . 1 1 90 90 SER N N 15 118.51 0.33 . 1 . . . . 90 S N . 4958 1 857 . 1 1 92 92 PRO HA H 1 4.43 0.05 . 1 . . . . 92 P HA . 4958 1 858 . 1 1 92 92 PRO HB2 H 1 1.91 0.05 . 2 . . . . 92 P HB2 . 4958 1 859 . 1 1 92 92 PRO HB3 H 1 2.23 0.05 . 2 . . . . 92 P HB3 . 4958 1 860 . 1 1 92 92 PRO HG2 H 1 1.98 0.05 . 1 . . . . 92 P HG . 4958 1 861 . 1 1 92 92 PRO HG3 H 1 1.98 0.05 . 1 . . . . 92 P HG . 4958 1 862 . 1 1 92 92 PRO HD2 H 1 3.69 0.05 . 1 . . . . 92 P HD . 4958 1 863 . 1 1 92 92 PRO HD3 H 1 3.69 0.05 . 1 . . . . 92 P HD . 4958 1 864 . 1 1 92 92 PRO C C 13 176.41 0.20 . 1 . . . . 92 P C . 4958 1 865 . 1 1 92 92 PRO CA C 13 63.40 0.20 . 1 . . . . 92 P CA . 4958 1 866 . 1 1 92 92 PRO CB C 13 32.18 0.20 . 1 . . . . 92 P CB . 4958 1 867 . 1 1 92 92 PRO CG C 13 26.86 0.20 . 1 . . . . 92 P CG . 4958 1 868 . 1 1 92 92 PRO CD C 13 50.65 0.20 . 1 . . . . 92 P CD . 4958 1 869 . 1 1 93 93 ASN H H 1 8.24 0.02 . 1 . . . . 93 N HN . 4958 1 870 . 1 1 93 93 ASN HA H 1 4.64 0.05 . 1 . . . . 93 N HA . 4958 1 871 . 1 1 93 93 ASN HB2 H 1 2.72 0.05 . 1 . . . . 93 N HB . 4958 1 872 . 1 1 93 93 ASN HB3 H 1 2.72 0.05 . 1 . . . . 93 N HB . 4958 1 873 . 1 1 93 93 ASN HD21 H 1 7.42 0.05 . 2 . . . . 93 N HD21 . 4958 1 874 . 1 1 93 93 ASN HD22 H 1 6.98 0.05 . 2 . . . . 93 N HD22 . 4958 1 875 . 1 1 93 93 ASN C C 13 176.73 0.20 . 1 . . . . 93 N C . 4958 1 876 . 1 1 93 93 ASN CA C 13 54.01 0.20 . 1 . . . . 93 N CA . 4958 1 877 . 1 1 93 93 ASN CB C 13 40.93 0.20 . 1 . . . . 93 N CB . 4958 1 878 . 1 1 93 93 ASN CG C 13 176.42 0.20 . 1 . . . . 93 N CG . 4958 1 879 . 1 1 93 93 ASN N N 15 121.53 0.33 . 1 . . . . 93 N N . 4958 1 880 . 1 1 93 93 ASN ND2 N 15 112.06 0.33 . 1 . . . . 93 N ND2 . 4958 1 881 . 1 1 94 94 CYS H H 1 8.32 0.02 . 1 . . . . 94 C HN . 4958 1 882 . 1 1 94 94 CYS HA H 1 4.75 0.05 . 1 . . . . 94 C HA . 4958 1 883 . 1 1 94 94 CYS HB2 H 1 3.00 0.05 . 2 . . . . 94 C HB2 . 4958 1 884 . 1 1 94 94 CYS HB3 H 1 3.26 0.05 . 2 . . . . 94 C HB3 . 4958 1 885 . 1 1 94 94 CYS C C 13 173.92 0.20 . 1 . . . . 94 C C . 4958 1 886 . 1 1 94 94 CYS CA C 13 54.14 0.20 . 1 . . . . 94 C CA . 4958 1 887 . 1 1 94 94 CYS CB C 13 41.02 0.20 . 1 . . . . 94 C CB . 4958 1 888 . 1 1 94 94 CYS N N 15 118.82 0.33 . 1 . . . . 94 C N . 4958 1 889 . 1 1 95 95 SER H H 1 8.43 0.02 . 1 . . . . 95 S HN . 4958 1 890 . 1 1 95 95 SER HA H 1 4.76 0.05 . 1 . . . . 95 S HA . 4958 1 891 . 1 1 95 95 SER HB2 H 1 3.78 0.05 . 2 . . . . 95 S HB2 . 4958 1 892 . 1 1 95 95 SER HB3 H 1 3.88 0.05 . 2 . . . . 95 S HB3 . 4958 1 893 . 1 1 95 95 SER CA C 13 56.26 0.20 . 1 . . . . 95 S CA . 4958 1 894 . 1 1 95 95 SER CB C 13 63.24 0.20 . 1 . . . . 95 S CB . 4958 1 895 . 1 1 95 95 SER N N 15 118.32 0.33 . 1 . . . . 95 S N . 4958 1 896 . 1 1 96 96 PRO HA H 1 4.43 0.05 . 1 . . . . 96 P HA . 4958 1 897 . 1 1 96 96 PRO HB2 H 1 1.90 0.05 . 2 . . . . 96 P HB2 . 4958 1 898 . 1 1 96 96 PRO HB3 H 1 2.24 0.05 . 2 . . . . 96 P HB3 . 4958 1 899 . 1 1 96 96 PRO C C 13 177.06 0.20 . 1 . . . . 96 P C . 4958 1 900 . 1 1 96 96 PRO CA C 13 63.58 0.20 . 1 . . . . 96 P CA . 4958 1 901 . 1 1 96 96 PRO CB C 13 32.24 0.20 . 1 . . . . 96 P CB . 4958 1 902 . 1 1 96 96 PRO CG C 13 27.06 0.20 . 1 . . . . 96 P CG . 4958 1 903 . 1 1 96 96 PRO CD C 13 50.65 0.20 . 1 . . . . 96 P CD . 4958 1 904 . 1 1 97 97 THR H H 1 8.18 0.02 . 1 . . . . 97 T HN . 4958 1 905 . 1 1 97 97 THR HA H 1 4.50 0.05 . 1 . . . . 97 T HA . 4958 1 906 . 1 1 97 97 THR HB H 1 4.13 0.05 . 1 . . . . 97 T HB . 4958 1 907 . 1 1 97 97 THR C C 13 174.27 0.20 . 1 . . . . 97 T C . 4958 1 908 . 1 1 97 97 THR CA C 13 62.40 0.20 . 1 . . . . 97 T CA . 4958 1 909 . 1 1 97 97 THR CB C 13 69.28 0.20 . 1 . . . . 97 T CB . 4958 1 910 . 1 1 97 97 THR N N 15 114.15 0.33 . 1 . . . . 97 T N . 4958 1 911 . 1 1 98 98 MET H H 1 8.27 0.02 . 1 . . . . 98 M HN . 4958 1 912 . 1 1 98 98 MET HA H 1 4.36 0.05 . 1 . . . . 98 M HA . 4958 1 913 . 1 1 98 98 MET HB2 H 1 1.95 0.05 . 1 . . . . 98 M HB . 4958 1 914 . 1 1 98 98 MET HB3 H 1 1.95 0.05 . 1 . . . . 98 M HB . 4958 1 915 . 1 1 98 98 MET HG2 H 1 2.47 0.05 . 1 . . . . 98 M HG . 4958 1 916 . 1 1 98 98 MET HG3 H 1 2.47 0.05 . 1 . . . . 98 M HG . 4958 1 917 . 1 1 98 98 MET C C 13 174.26 0.20 . 1 . . . . 98 M C . 4958 1 918 . 1 1 98 98 MET CA C 13 55.27 0.20 . 1 . . . . 98 M CA . 4958 1 919 . 1 1 98 98 MET CB C 13 32.98 0.20 . 1 . . . . 98 M CB . 4958 1 920 . 1 1 98 98 MET CG C 13 31.62 0.20 . 1 . . . . 98 M CG . 4958 1 921 . 1 1 98 98 MET N N 15 122.50 0.33 . 1 . . . . 98 M N . 4958 1 922 . 1 1 99 99 LEU H H 1 7.88 0.02 . 1 . . . . 99 L HN . 4958 1 923 . 1 1 99 99 LEU HA H 1 4.76 0.05 . 1 . . . . 99 L HA . 4958 1 924 . 1 1 99 99 LEU HB2 H 1 1.68 0.05 . 1 . . . . 99 L HB . 4958 1 925 . 1 1 99 99 LEU HB3 H 1 1.68 0.05 . 1 . . . . 99 L HB . 4958 1 926 . 1 1 99 99 LEU HG H 1 1.68 0.05 . 1 . . . . 99 L HG . 4958 1 927 . 1 1 99 99 LEU HD11 H 1 1.06 0.05 . 1 . . . . 99 L HD1 . 4958 1 928 . 1 1 99 99 LEU HD12 H 1 1.06 0.05 . 1 . . . . 99 L HD1 . 4958 1 929 . 1 1 99 99 LEU HD13 H 1 1.06 0.05 . 1 . . . . 99 L HD1 . 4958 1 930 . 1 1 99 99 LEU HD21 H 1 0.93 0.05 . 1 . . . . 99 L HD2 . 4958 1 931 . 1 1 99 99 LEU HD22 H 1 0.93 0.05 . 1 . . . . 99 L HD2 . 4958 1 932 . 1 1 99 99 LEU HD23 H 1 0.93 0.05 . 1 . . . . 99 L HD2 . 4958 1 933 . 1 1 99 99 LEU CA C 13 52.33 0.20 . 1 . . . . 99 L CA . 4958 1 934 . 1 1 99 99 LEU CB C 13 41.20 0.20 . 1 . . . . 99 L CB . 4958 1 935 . 1 1 99 99 LEU CG C 13 26.35 0.20 . 1 . . . . 99 L CG . 4958 1 936 . 1 1 99 99 LEU CD1 C 13 23.32 0.20 . 1 . . . . 99 L CD1 . 4958 1 937 . 1 1 99 99 LEU CD2 C 13 25.09 0.20 . 1 . . . . 99 L CD2 . 4958 1 938 . 1 1 99 99 LEU N N 15 122.18 0.33 . 1 . . . . 99 L N . 4958 1 939 . 1 1 100 100 PRO HA H 1 4.41 0.05 . 9 . . . . 100 P HA . 4958 1 940 . 1 1 100 100 PRO HB2 H 1 1.86 0.05 . 9 . . . . 100 P HB2 . 4958 1 941 . 1 1 100 100 PRO HB3 H 1 2.22 0.05 . 9 . . . . 100 P HB3 . 4958 1 942 . 1 1 100 100 PRO HG2 H 1 1.98 0.05 . 9 . . . . 100 P HG . 4958 1 943 . 1 1 100 100 PRO HG3 H 1 1.98 0.05 . 9 . . . . 100 P HG . 4958 1 944 . 1 1 100 100 PRO HD2 H 1 3.66 0.05 . 9 . . . . 100 P HD2 . 4958 1 945 . 1 1 100 100 PRO HD3 H 1 3.78 0.05 . 9 . . . . 100 P HD3 . 4958 1 946 . 1 1 100 100 PRO C C 13 176.00 0.20 . 9 . . . . 100 P C . 4958 1 947 . 1 1 100 100 PRO CA C 13 62.76 0.20 . 9 . . . . 100 P CA . 4958 1 948 . 1 1 100 100 PRO CB C 13 32.11 0.20 . 9 . . . . 100 P CB . 4958 1 949 . 1 1 100 100 PRO CG C 13 27.04 0.20 . 9 . . . . 100 P CG . 4958 1 950 . 1 1 100 100 PRO CD C 13 50.49 0.20 . 9 . . . . 100 P CD . 4958 1 951 . 1 1 101 101 SER H H 1 8.35 0.02 . 9 . . . . 101 S HN . 4958 1 952 . 1 1 101 101 SER HA H 1 4.68 0.05 . 9 . . . . 101 S HA . 4958 1 953 . 1 1 101 101 SER HB2 H 1 3.78 0.05 . 9 . . . . 101 S HB . 4958 1 954 . 1 1 101 101 SER HB3 H 1 3.78 0.05 . 9 . . . . 101 S HB . 4958 1 955 . 1 1 101 101 SER C C 13 173.42 0.20 . 9 . . . . 101 S C . 4958 1 956 . 1 1 101 101 SER CA C 13 55.95 0.20 . 9 . . . . 101 S CA . 4958 1 957 . 1 1 101 101 SER CB C 13 63.93 0.20 . 9 . . . . 101 S CB . 4958 1 958 . 1 1 101 101 SER N N 15 116.72 0.33 . 9 . . . . 101 S N . 4958 1 959 . 1 1 102 102 PRO HA H 1 4.16 0.05 . 9 . . . . 102 P HA . 4958 1 960 . 1 1 102 102 PRO HB2 H 1 2.08 0.05 . 9 . . . . 102 P HB2 . 4958 1 961 . 1 1 102 102 PRO HB3 H 1 2.36 0.05 . 9 . . . . 102 P HB3 . 4958 1 962 . 1 1 102 102 PRO HG2 H 1 1.91 0.05 . 9 . . . . 102 P HG . 4958 1 963 . 1 1 102 102 PRO HG3 H 1 1.91 0.05 . 9 . . . . 102 P HG . 4958 1 964 . 1 1 102 102 PRO HD2 H 1 3.53 0.05 . 9 . . . . 102 P HD . 4958 1 965 . 1 1 102 102 PRO HD3 H 1 3.53 0.05 . 9 . . . . 102 P HD . 4958 1 966 . 1 1 102 102 PRO C C 13 177.18 0.20 . 9 . . . . 102 P C . 4958 1 967 . 1 1 102 102 PRO CA C 13 62.77 0.20 . 9 . . . . 102 P CA . 4958 1 968 . 1 1 102 102 PRO CB C 13 34.14 0.20 . 9 . . . . 102 P CB . 4958 1 969 . 1 1 102 102 PRO CG C 13 24.85 0.20 . 9 . . . . 102 P CG . 4958 1 970 . 1 1 102 102 PRO CD C 13 49.47 0.20 . 9 . . . . 102 P CD . 4958 1 971 . 1 1 103 103 SER H H 1 8.34 0.02 . 9 . . . . 103 S HN . 4958 1 972 . 1 1 103 103 SER HA H 1 4.71 0.05 . 9 . . . . 103 S HA . 4958 1 973 . 1 1 103 103 SER HB2 H 1 3.80 0.05 . 9 . . . . 103 S HB2 . 4958 1 974 . 1 1 103 103 SER HB3 H 1 3.87 0.05 . 9 . . . . 103 S HB3 . 4958 1 975 . 1 1 103 103 SER CA C 13 58.52 0.20 . 9 . . . . 103 S CA . 4958 1 976 . 1 1 103 103 SER N N 15 117.04 0.33 . 9 . . . . 103 S N . 4958 1 977 . 1 1 104 104 PRO HA H 1 4.77 0.05 . 9 . . . . 104 P HA . 4958 1 978 . 1 1 104 104 PRO HB2 H 1 1.99 0.05 . 9 . . . . 104 P HB2 . 4958 1 979 . 1 1 104 104 PRO HB3 H 1 2.25 0.05 . 9 . . . . 104 P HB3 . 4958 1 980 . 1 1 104 104 PRO HG2 H 1 1.95 0.05 . 9 . . . . 104 P HG . 4958 1 981 . 1 1 104 104 PRO HG3 H 1 1.95 0.05 . 9 . . . . 104 P HG . 4958 1 982 . 1 1 104 104 PRO HD2 H 1 3.69 0.05 . 9 . . . . 104 P HD . 4958 1 983 . 1 1 104 104 PRO HD3 H 1 3.69 0.05 . 9 . . . . 104 P HD . 4958 1 984 . 1 1 104 104 PRO C C 13 176.93 0.20 . 9 . . . . 104 P C . 4958 1 985 . 1 1 104 104 PRO CA C 13 63.55 0.20 . 9 . . . . 104 P CA . 4958 1 986 . 1 1 104 104 PRO CB C 13 32.20 0.20 . 9 . . . . 104 P CB . 4958 1 987 . 1 1 104 104 PRO CG C 13 27.03 0.20 . 9 . . . . 104 P CG . 4958 1 988 . 1 1 104 104 PRO CD C 13 50.49 0.20 . 9 . . . . 104 P CD . 4958 1 989 . 1 1 105 105 SER H H 1 8.43 0.02 . 9 . . . . 105 S HN . 4958 1 990 . 1 1 105 105 SER HA H 1 4.43 0.05 . 9 . . . . 105 S HA . 4958 1 991 . 1 1 105 105 SER HB2 H 1 3.87 0.05 . 9 . . . . 105 S HB . 4958 1 992 . 1 1 105 105 SER HB3 H 1 3.87 0.05 . 9 . . . . 105 S HB . 4958 1 993 . 1 1 105 105 SER C C 13 174.26 0.20 . 9 . . . . 105 S C . 4958 1 994 . 1 1 105 105 SER CA C 13 58.21 0.20 . 9 . . . . 105 S CA . 4958 1 995 . 1 1 105 105 SER CB C 13 63.24 0.20 . 9 . . . . 105 S CB . 4958 1 996 . 1 1 105 105 SER N N 15 115.43 0.33 . 9 . . . . 105 S N . 4958 1 997 . 1 1 106 106 ALA H H 1 8.27 0.02 . 1 . . . . 106 A HN . 4958 1 998 . 1 1 106 106 ALA HA H 1 4.16 0.05 . 1 . . . . 106 A HA . 4958 1 999 . 1 1 106 106 ALA HB1 H 1 1.38 0.05 . 1 . . . . 106 A HB . 4958 1 1000 . 1 1 106 106 ALA HB2 H 1 1.38 0.05 . 1 . . . . 106 A HB . 4958 1 1001 . 1 1 106 106 ALA HB3 H 1 1.38 0.05 . 1 . . . . 106 A HB . 4958 1 1002 . 1 1 106 106 ALA C C 13 173.63 0.20 . 1 . . . . 106 A C . 4958 1 1003 . 1 1 106 106 ALA CA C 13 52.38 0.20 . 1 . . . . 106 A CA . 4958 1 1004 . 1 1 106 106 ALA CB C 13 19.80 0.20 . 1 . . . . 106 A CB . 4958 1 1005 . 1 1 106 106 ALA N N 15 126.03 0.33 . 1 . . . . 106 A N . 4958 1 1006 . 1 1 107 107 VAL H H 1 8.09 0.02 . 1 . . . . 107 V HN . 4958 1 1007 . 1 1 107 107 VAL HA H 1 4.10 0.05 . 1 . . . . 107 V HA . 4958 1 1008 . 1 1 107 107 VAL HB H 1 2.06 0.05 . 1 . . . . 107 V HB . 4958 1 1009 . 1 1 107 107 VAL HG11 H 1 0.93 0.05 . 1 . . . . 107 V HG1 . 4958 1 1010 . 1 1 107 107 VAL HG12 H 1 0.93 0.05 . 1 . . . . 107 V HG1 . 4958 1 1011 . 1 1 107 107 VAL HG13 H 1 0.93 0.05 . 1 . . . . 107 V HG1 . 4958 1 1012 . 1 1 107 107 VAL HG21 H 1 0.88 0.05 . 1 . . . . 107 V HG2 . 4958 1 1013 . 1 1 107 107 VAL HG22 H 1 0.88 0.05 . 1 . . . . 107 V HG2 . 4958 1 1014 . 1 1 107 107 VAL HG23 H 1 0.88 0.05 . 1 . . . . 107 V HG2 . 4958 1 1015 . 1 1 107 107 VAL C C 13 176.35 0.20 . 1 . . . . 107 V C . 4958 1 1016 . 1 1 107 107 VAL CA C 13 62.06 0.20 . 1 . . . . 107 V CA . 4958 1 1017 . 1 1 107 107 VAL CB C 13 32.90 0.20 . 1 . . . . 107 V CB . 4958 1 1018 . 1 1 107 107 VAL CG1 C 13 20.35 0.20 . 1 . . . . 107 V CG1 . 4958 1 1019 . 1 1 107 107 VAL CG2 C 13 20.35 0.20 . 1 . . . . 107 V CG2 . 4958 1 1020 . 1 1 107 107 VAL N N 15 119.28 0.33 . 1 . . . . 107 V N . 4958 1 1021 . 1 1 108 108 THR H H 1 8.27 0.02 . 1 . . . . 108 T HN . 4958 1 1022 . 1 1 108 108 THR HA H 1 4.33 0.05 . 1 . . . . 108 T HA . 4958 1 1023 . 1 1 108 108 THR HB H 1 4.11 0.05 . 1 . . . . 108 T HB . 4958 1 1024 . 1 1 108 108 THR HG21 H 1 1.18 0.05 . 1 . . . . 108 T HG . 4958 1 1025 . 1 1 108 108 THR HG22 H 1 1.18 0.05 . 1 . . . . 108 T HG . 4958 1 1026 . 1 1 108 108 THR HG23 H 1 1.18 0.05 . 1 . . . . 108 T HG . 4958 1 1027 . 1 1 108 108 THR C C 13 174.07 0.20 . 1 . . . . 108 T C . 4958 1 1028 . 1 1 108 108 THR CA C 13 61.75 0.20 . 1 . . . . 108 T CA . 4958 1 1029 . 1 1 108 108 THR CB C 13 69.65 0.20 . 1 . . . . 108 T CB . 4958 1 1030 . 1 1 108 108 THR N N 15 118.96 0.33 . 1 . . . . 108 T N . 4958 1 1031 . 1 1 109 109 VAL H H 1 8.19 0.02 . 1 . . . . 109 V HN . 4958 1 1032 . 1 1 109 109 VAL HA H 1 4.43 0.05 . 1 . . . . 109 V HA . 4958 1 1033 . 1 1 109 109 VAL HB H 1 2.09 0.05 . 1 . . . . 109 V HB . 4958 1 1034 . 1 1 109 109 VAL HG11 H 1 0.91 0.05 . 1 . . . . 109 V HG . 4958 1 1035 . 1 1 109 109 VAL HG12 H 1 0.91 0.05 . 1 . . . . 109 V HG . 4958 1 1036 . 1 1 109 109 VAL HG13 H 1 0.91 0.05 . 1 . . . . 109 V HG . 4958 1 1037 . 1 1 109 109 VAL HG21 H 1 0.91 0.05 . 1 . . . . 109 V HG . 4958 1 1038 . 1 1 109 109 VAL HG22 H 1 0.91 0.05 . 1 . . . . 109 V HG . 4958 1 1039 . 1 1 109 109 VAL HG23 H 1 0.91 0.05 . 1 . . . . 109 V HG . 4958 1 1040 . 1 1 109 109 VAL CA C 13 59.80 0.20 . 1 . . . . 109 V CA . 4958 1 1041 . 1 1 109 109 VAL N N 15 124.42 0.33 . 1 . . . . 109 V N . 4958 1 1042 . 1 1 110 110 PRO HA H 1 4.42 0.05 . 1 . . . . 110 P HA . 4958 1 1043 . 1 1 110 110 PRO HB2 H 1 2.00 0.05 . 2 . . . . 110 P HB2 . 4958 1 1044 . 1 1 110 110 PRO HB3 H 1 2.46 0.05 . 2 . . . . 110 P HB3 . 4958 1 1045 . 1 1 110 110 PRO HG2 H 1 1.89 0.05 . 1 . . . . 110 P HG . 4958 1 1046 . 1 1 110 110 PRO HG3 H 1 1.89 0.05 . 1 . . . . 110 P HG . 4958 1 1047 . 1 1 110 110 PRO HD2 H 1 3.50 0.05 . 1 . . . . 110 P HD . 4958 1 1048 . 1 1 110 110 PRO HD3 H 1 3.50 0.05 . 1 . . . . 110 P HD . 4958 1 1049 . 1 1 110 110 PRO C C 13 175.45 0.20 . 1 . . . . 110 P C . 4958 1 1050 . 1 1 110 110 PRO CA C 13 62.73 0.20 . 1 . . . . 110 P CA . 4958 1 1051 . 1 1 110 110 PRO CB C 13 33.46 0.20 . 1 . . . . 110 P CB . 4958 1 1052 . 1 1 110 110 PRO CG C 13 25.43 0.20 . 1 . . . . 110 P CG . 4958 1 1053 . 1 1 110 110 PRO CD C 13 50.34 0.20 . 1 . . . . 110 P CD . 4958 1 1054 . 1 1 111 111 LEU H H 1 9.35 0.02 . 1 . . . . 111 L HN . 4958 1 1055 . 1 1 111 111 LEU HA H 1 4.42 0.05 . 1 . . . . 111 L HA . 4958 1 1056 . 1 1 111 111 LEU HB2 H 1 1.65 0.05 . 2 . . . . 111 L HB2 . 4958 1 1057 . 1 1 111 111 LEU HB3 H 1 1.78 0.05 . 2 . . . . 111 L HB3 . 4958 1 1058 . 1 1 111 111 LEU HD11 H 1 1.02 0.05 . 1 . . . . 111 L HD1 . 4958 1 1059 . 1 1 111 111 LEU HD12 H 1 1.02 0.05 . 1 . . . . 111 L HD1 . 4958 1 1060 . 1 1 111 111 LEU HD13 H 1 1.02 0.05 . 1 . . . . 111 L HD1 . 4958 1 1061 . 1 1 111 111 LEU HD21 H 1 0.94 0.05 . 1 . . . . 111 L HD2 . 4958 1 1062 . 1 1 111 111 LEU HD22 H 1 0.94 0.05 . 1 . . . . 111 L HD2 . 4958 1 1063 . 1 1 111 111 LEU HD23 H 1 0.94 0.05 . 1 . . . . 111 L HD2 . 4958 1 1064 . 1 1 111 111 LEU C C 13 176.95 0.20 . 1 . . . . 111 L C . 4958 1 1065 . 1 1 111 111 LEU CA C 13 55.90 0.20 . 1 . . . . 111 L CA . 4958 1 1066 . 1 1 111 111 LEU CB C 13 42.27 0.20 . 1 . . . . 111 L CB . 4958 1 1067 . 1 1 111 111 LEU CG C 13 26.92 0.20 . 1 . . . . 111 L CG . 4958 1 1068 . 1 1 111 111 LEU CD1 C 13 24.58 0.20 . 1 . . . . 111 L CD1 . 4958 1 1069 . 1 1 111 111 LEU CD2 C 13 23.61 0.20 . 1 . . . . 111 L CD2 . 4958 1 1070 . 1 1 111 111 LEU N N 15 127.64 0.33 . 1 . . . . 111 L N . 4958 1 1071 . 1 1 112 112 THR H H 1 7.64 0.02 . 1 . . . . 112 T HN . 4958 1 1072 . 1 1 112 112 THR HA H 1 4.13 0.05 . 1 . . . . 112 T HA . 4958 1 1073 . 1 1 112 112 THR CA C 13 62.75 0.20 . 1 . . . . 112 T CA . 4958 1 1074 . 1 1 112 112 THR N N 15 119.28 0.33 . 1 . . . . 112 T N . 4958 1 stop_ save_