################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19822 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19822 1 2 '2D 1H-13C HSQC' 1 $sample_1 . 19822 1 3 '3D HNCACB' 1 $sample_1 . 19822 1 4 '3D CBCA(CO)NH' 1 $sample_1 . 19822 1 5 '3D HCCH-TOCSY' 1 $sample_1 . 19822 1 6 '3D 1H-13C NOESY' 1 $sample_1 . 19822 1 7 '3D C(CO)NH' 1 $sample_1 . 19822 1 8 '4D 13C, 13C-NOESY' 1 $sample_1 . 19822 1 9 '4D 15N, 13C-NOESY' 1 $sample_1 . 19822 1 10 '2D 1H-1H NOESY' 2 $sample_2 . 19822 1 11 '2D 1H-1H TOCSY' 2 $sample_2 . 19822 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.9150 . . . . . . . 1 GLY HA2 . 19822 1 2 . 1 1 1 1 GLY HA3 H 1 3.9680 . . . . . . . 1 GLY HA3 . 19822 1 3 . 1 1 1 1 GLY CA C 13 43.5200 . . . . . . . 1 GLY CA . 19822 1 4 . 1 1 2 2 ILE H H 1 7.0800 . . . . . . . 2 ILE HN . 19822 1 5 . 1 1 2 2 ILE HA H 1 3.8200 . . . . . . . 2 ILE HA . 19822 1 6 . 1 1 2 2 ILE HG12 H 1 1.1200 . . . . . . . 2 ILE HG12 . 19822 1 7 . 1 1 2 2 ILE HG13 H 1 0.7800 . . . . . . . 2 ILE HG13 . 19822 1 8 . 1 1 2 2 ILE HG21 H 1 0.6150 . . . . . . . 2 ILE HG2 . 19822 1 9 . 1 1 2 2 ILE HG22 H 1 0.6150 . . . . . . . 2 ILE HG2 . 19822 1 10 . 1 1 2 2 ILE HG23 H 1 0.6150 . . . . . . . 2 ILE HG2 . 19822 1 11 . 1 1 2 2 ILE HD11 H 1 0.4850 . . . . . . . 2 ILE HD1 . 19822 1 12 . 1 1 2 2 ILE HD12 H 1 0.4850 . . . . . . . 2 ILE HD1 . 19822 1 13 . 1 1 2 2 ILE HD13 H 1 0.4850 . . . . . . . 2 ILE HD1 . 19822 1 14 . 1 1 2 2 ILE CA C 13 63.4300 . . . . . . . 2 ILE CA . 19822 1 15 . 1 1 2 2 ILE CB C 13 37.7700 . . . . . . . 2 ILE CB . 19822 1 16 . 1 1 2 2 ILE CG1 C 13 28.3400 . . . . . . . 2 ILE CG1 . 19822 1 17 . 1 1 2 2 ILE CG2 C 13 16.6800 . . . . . . . 2 ILE CG2 . 19822 1 18 . 1 1 2 2 ILE CD1 C 13 14.6600 . . . . . . . 2 ILE CD1 . 19822 1 19 . 1 1 3 3 VAL H H 1 8.1900 . . . . . . . 3 VAL HN . 19822 1 20 . 1 1 3 3 VAL HA H 1 3.5400 . . . . . . . 3 VAL HA . 19822 1 21 . 1 1 3 3 VAL HB H 1 1.8800 . . . . . . . 3 VAL HB . 19822 1 22 . 1 1 3 3 VAL HG11 H 1 0.8000 . . . . . . . 3 VAL HG1 . 19822 1 23 . 1 1 3 3 VAL HG12 H 1 0.8000 . . . . . . . 3 VAL HG1 . 19822 1 24 . 1 1 3 3 VAL HG13 H 1 0.8000 . . . . . . . 3 VAL HG1 . 19822 1 25 . 1 1 3 3 VAL HG21 H 1 0.8500 . . . . . . . 3 VAL HG2 . 19822 1 26 . 1 1 3 3 VAL HG22 H 1 0.8500 . . . . . . . 3 VAL HG2 . 19822 1 27 . 1 1 3 3 VAL HG23 H 1 0.8500 . . . . . . . 3 VAL HG2 . 19822 1 28 . 1 1 3 3 VAL CB C 13 31.4200 . . . . . . . 3 VAL CB . 19822 1 29 . 1 1 3 3 VAL CG1 C 13 21.1600 . . . . . . . 3 VAL CG1 . 19822 1 30 . 1 1 3 3 VAL CG2 C 13 22.4800 . . . . . . . 3 VAL CG2 . 19822 1 31 . 1 1 3 3 VAL N N 15 122.9800 . . . . . . . 3 VAL N . 19822 1 32 . 1 1 4 4 GLU H H 1 8.3500 . . . . . . . 4 GLU HN . 19822 1 33 . 1 1 4 4 GLU HA H 1 4.0400 . . . . . . . 4 GLU HA . 19822 1 34 . 1 1 4 4 GLU HB2 H 1 2.1100 . . . . . . . 4 GLU HB2 . 19822 1 35 . 1 1 4 4 GLU HG2 H 1 2.4300 . . . . . . . 4 GLU HG2 . 19822 1 36 . 1 1 4 4 GLU HG3 H 1 2.2700 . . . . . . . 4 GLU HG3 . 19822 1 37 . 1 1 4 4 GLU CB C 13 29.0000 . . . . . . . 4 GLU CB . 19822 1 38 . 1 1 4 4 GLU CG C 13 36.5400 . . . . . . . 4 GLU CG . 19822 1 39 . 1 1 4 4 GLU N N 15 121.7100 . . . . . . . 4 GLU N . 19822 1 40 . 1 1 5 5 GLN H H 1 8.2600 . . . . . . . 5 GLN HN . 19822 1 41 . 1 1 5 5 GLN HA H 1 3.9900 . . . . . . . 5 GLN HA . 19822 1 42 . 1 1 5 5 GLN HB2 H 1 1.9900 . . . . . . . 5 GLN HB2 . 19822 1 43 . 1 1 5 5 GLN HB3 H 1 2.2600 . . . . . . . 5 GLN HB3 . 19822 1 44 . 1 1 5 5 GLN HG2 H 1 2.3400 . . . . . . . 5 GLN HG2 . 19822 1 45 . 1 1 5 5 GLN HG3 H 1 2.4300 . . . . . . . 5 GLN HG3 . 19822 1 46 . 1 1 5 5 GLN HE21 H 1 7.4700 . . . . . . . 5 GLN HE21 . 19822 1 47 . 1 1 5 5 GLN HE22 H 1 6.8300 . . . . . . . 5 GLN HE22 . 19822 1 48 . 1 1 5 5 GLN CA C 13 58.3400 . . . . . . . 5 GLN CA . 19822 1 49 . 1 1 5 5 GLN CB C 13 29.4600 . . . . . . . 5 GLN CB . 19822 1 50 . 1 1 5 5 GLN CG C 13 34.1300 . . . . . . . 5 GLN CG . 19822 1 51 . 1 1 5 5 GLN N N 15 110.8700 . . . . . . . 5 GLN N . 19822 1 52 . 1 1 5 5 GLN NE2 N 15 112.0700 . . . . . . . 5 GLN NE2 . 19822 1 53 . 1 1 6 6 CYS HB2 H 1 2.9700 . . . . . . . 6 CYS HB . 19822 1 54 . 1 1 6 6 CYS HB3 H 1 2.9700 . . . . . . . 6 CYS HB . 19822 1 55 . 1 1 6 6 CYS CB C 13 39.400 . . . . . . . 6 CYS CB . 19822 1 56 . 1 1 7 7 CYS H H 1 8.1600 . . . . . . . 7 CYS HN . 19822 1 57 . 1 1 7 7 CYS HA H 1 4.8400 . . . . . . . 7 CYS HA . 19822 1 58 . 1 1 7 7 CYS HB2 H 1 3.2800 . . . . . . . 7 CYS HB2 . 19822 1 59 . 1 1 7 7 CYS HB3 H 1 3.7200 . . . . . . . 7 CYS HB3 . 19822 1 60 . 1 1 7 7 CYS CA C 13 56.9700 . . . . . . . 7 CYS CA . 19822 1 61 . 1 1 7 7 CYS CB C 13 38.8100 . . . . . . . 7 CYS CB . 19822 1 62 . 1 1 7 7 CYS N N 15 118.5900 . . . . . . . 7 CYS N . 19822 1 63 . 1 1 8 8 THR H H 1 8.2300 . . . . . . . 8 THR HN . 19822 1 64 . 1 1 8 8 THR HA H 1 3.9800 . . . . . . . 8 THR HA . 19822 1 65 . 1 1 8 8 THR HB H 1 4.3700 . . . . . . . 8 THR HB . 19822 1 66 . 1 1 8 8 THR HG21 H 1 1.1900 . . . . . . . 8 THR HG2 . 19822 1 67 . 1 1 8 8 THR HG22 H 1 1.1900 . . . . . . . 8 THR HG2 . 19822 1 68 . 1 1 8 8 THR HG23 H 1 1.1900 . . . . . . . 8 THR HG2 . 19822 1 69 . 1 1 8 8 THR CA C 13 64.4800 . . . . . . . 8 THR CA . 19822 1 70 . 1 1 8 8 THR CB C 13 68.6000 . . . . . . . 8 THR CB . 19822 1 71 . 1 1 8 8 THR CG2 C 13 22.3000 . . . . . . . 8 THR CG2 . 19822 1 72 . 1 1 9 9 SER H H 1 7.3200 . . . . . . . 9 SER HN . 19822 1 73 . 1 1 9 9 SER HA H 1 4.7060 . . . . . . . 9 SER HA . 19822 1 74 . 1 1 9 9 SER HB2 H 1 3.8010 . . . . . . . 9 SER HB2 . 19822 1 75 . 1 1 9 9 SER HB3 H 1 3.9480 . . . . . . . 9 SER HB3 . 19822 1 76 . 1 1 9 9 SER CA C 13 56.4800 . . . . . . . 9 SER CA . 19822 1 77 . 1 1 9 9 SER CB C 13 64.5900 . . . . . . . 9 SER CB . 19822 1 78 . 1 1 10 10 ILE H H 1 7.8100 . . . . . . . 10 ILE HN . 19822 1 79 . 1 1 10 10 ILE HA H 1 4.2500 . . . . . . . 10 ILE HA . 19822 1 80 . 1 1 10 10 ILE HB H 1 1.4800 . . . . . . . 10 ILE HB . 19822 1 81 . 1 1 10 10 ILE HG12 H 1 0.9700 . . . . . . . 10 ILE HG12 . 19822 1 82 . 1 1 10 10 ILE HG13 H 1 0.2900 . . . . . . . 10 ILE HG13 . 19822 1 83 . 1 1 10 10 ILE HG21 H 1 0.5900 . . . . . . . 10 ILE HG2 . 19822 1 84 . 1 1 10 10 ILE HG22 H 1 0.5900 . . . . . . . 10 ILE HG2 . 19822 1 85 . 1 1 10 10 ILE HG23 H 1 0.5900 . . . . . . . 10 ILE HG2 . 19822 1 86 . 1 1 10 10 ILE HD11 H 1 0.4100 . . . . . . . 10 ILE HD1 . 19822 1 87 . 1 1 10 10 ILE HD12 H 1 0.4100 . . . . . . . 10 ILE HD1 . 19822 1 88 . 1 1 10 10 ILE HD13 H 1 0.4100 . . . . . . . 10 ILE HD1 . 19822 1 89 . 1 1 10 10 ILE CA C 13 60.1800 . . . . . . . 10 ILE CA . 19822 1 90 . 1 1 10 10 ILE CB C 13 38.9000 . . . . . . . 10 ILE CB . 19822 1 91 . 1 1 10 10 ILE CG1 C 13 27.1800 . . . . . . . 10 ILE CG1 . 19822 1 92 . 1 1 10 10 ILE CG2 C 13 17.2800 . . . . . . . 10 ILE CG2 . 19822 1 93 . 1 1 10 10 ILE CD1 C 13 12.4600 . . . . . . . 10 ILE CD1 . 19822 1 94 . 1 1 10 10 ILE N N 15 117.5500 . . . . . . . 10 ILE N . 19822 1 95 . 1 1 11 11 CYS H H 1 9.9200 . . . . . . . 11 CYS HN . 19822 1 96 . 1 1 12 12 SER HA H 1 4.5600 . . . . . . . 12 SER HA . 19822 1 97 . 1 1 12 12 SER HB2 H 1 3.9300 . . . . . . . 12 SER HB2 . 19822 1 98 . 1 1 12 12 SER HB3 H 1 4.1800 . . . . . . . 12 SER HB3 . 19822 1 99 . 1 1 12 12 SER CA C 13 56.6100 . . . . . . . 12 SER CA . 19822 1 100 . 1 1 12 12 SER CB C 13 65.7500 . . . . . . . 12 SER CB . 19822 1 101 . 1 1 13 13 LEU H H 1 8.6500 . . . . . . . 13 LEU HN . 19822 1 102 . 1 1 13 13 LEU HA H 1 3.7900 . . . . . . . 13 LEU HA . 19822 1 103 . 1 1 13 13 LEU HB2 H 1 1.3300 . . . . . . . 13 LEU HB2 . 19822 1 104 . 1 1 13 13 LEU HB3 H 1 1.4400 . . . . . . . 13 LEU HB3 . 19822 1 105 . 1 1 13 13 LEU HG H 1 1.4400 . . . . . . . 13 LEU HG . 19822 1 106 . 1 1 13 13 LEU HD11 H 1 0.8000 . . . . . . . 13 LEU HD1 . 19822 1 107 . 1 1 13 13 LEU HD12 H 1 0.8000 . . . . . . . 13 LEU HD1 . 19822 1 108 . 1 1 13 13 LEU HD13 H 1 0.8000 . . . . . . . 13 LEU HD1 . 19822 1 109 . 1 1 13 13 LEU HD21 H 1 0.7600 . . . . . . . 13 LEU HD2 . 19822 1 110 . 1 1 13 13 LEU HD22 H 1 0.7600 . . . . . . . 13 LEU HD2 . 19822 1 111 . 1 1 13 13 LEU HD23 H 1 0.7600 . . . . . . . 13 LEU HD2 . 19822 1 112 . 1 1 13 13 LEU CA C 13 58.4800 . . . . . . . 13 LEU CA . 19822 1 113 . 1 1 13 13 LEU CB C 13 41.1700 . . . . . . . 13 LEU CB . 19822 1 114 . 1 1 13 13 LEU CG C 13 26.9700 . . . . . . . 13 LEU CG . 19822 1 115 . 1 1 13 13 LEU CD1 C 13 24.4700 . . . . . . . 13 LEU CD1 . 19822 1 116 . 1 1 13 13 LEU CD2 C 13 24.4200 . . . . . . . 13 LEU CD2 . 19822 1 117 . 1 1 13 13 LEU N N 15 121.9300 . . . . . . . 13 LEU N . 19822 1 118 . 1 1 14 14 TYR H H 1 7.6000 . . . . . . . 14 TYR HN . 19822 1 119 . 1 1 14 14 TYR HA H 1 4.2500 . . . . . . . 14 TYR HA . 19822 1 120 . 1 1 14 14 TYR HB2 H 1 2.9100 . . . . . . . 14 TYR HB2 . 19822 1 121 . 1 1 14 14 TYR HB3 H 1 2.9700 . . . . . . . 14 TYR HB3 . 19822 1 122 . 1 1 14 14 TYR HD1 H 1 7.0400 . . . . . . . 14 TYR HD1 . 19822 1 123 . 1 1 14 14 TYR HD2 H 1 7.0400 . . . . . . . 14 TYR HD2 . 19822 1 124 . 1 1 14 14 TYR HE1 H 1 6.7760 . . . . . . . 14 TYR HE1 . 19822 1 125 . 1 1 14 14 TYR HE2 H 1 6.7760 . . . . . . . 14 TYR HE2 . 19822 1 126 . 1 1 14 14 TYR CA C 13 60.0400 . . . . . . . 14 TYR CA . 19822 1 127 . 1 1 14 14 TYR CB C 13 37.7300 . . . . . . . 14 TYR CB . 19822 1 128 . 1 1 14 14 TYR CD1 C 13 133.0600 . . . . . . . 14 TYR CD1 . 19822 1 129 . 1 1 14 14 TYR CD2 C 13 133.0600 . . . . . . . 14 TYR CD2 . 19822 1 130 . 1 1 14 14 TYR CE1 C 13 118.3300 . . . . . . . 14 TYR CE1 . 19822 1 131 . 1 1 14 14 TYR CE2 C 13 118.3300 . . . . . . . 14 TYR CE2 . 19822 1 132 . 1 1 14 14 TYR N N 15 115.9300 . . . . . . . 14 TYR N . 19822 1 133 . 1 1 15 15 GLN H H 1 7.4300 . . . . . . . 15 GLN HN . 19822 1 134 . 1 1 15 15 GLN HA H 1 3.8700 . . . . . . . 15 GLN HA . 19822 1 135 . 1 1 15 15 GLN HB2 H 1 2.2800 . . . . . . . 15 GLN HB2 . 19822 1 136 . 1 1 15 15 GLN HB3 H 1 1.9200 . . . . . . . 15 GLN HB3 . 19822 1 137 . 1 1 15 15 GLN HG2 H 1 2.2000 . . . . . . . 15 GLN HG2 . 19822 1 138 . 1 1 15 15 GLN HG3 H 1 2.3700 . . . . . . . 15 GLN HG3 . 19822 1 139 . 1 1 15 15 GLN HE21 H 1 7.4700 . . . . . . . 15 GLN HE21 . 19822 1 140 . 1 1 15 15 GLN HE22 H 1 6.9200 . . . . . . . 15 GLN HE22 . 19822 1 141 . 1 1 15 15 GLN CA C 13 58.4700 . . . . . . . 15 GLN CA . 19822 1 142 . 1 1 15 15 GLN CB C 13 29.2800 . . . . . . . 15 GLN CB . 19822 1 143 . 1 1 15 15 GLN CG C 13 35.3400 . . . . . . . 15 GLN CG . 19822 1 144 . 1 1 15 15 GLN N N 15 118.2600 . . . . . . . 15 GLN N . 19822 1 145 . 1 1 15 15 GLN NE2 N 15 112.0900 . . . . . . . 15 GLN NE2 . 19822 1 146 . 1 1 16 16 LEU H H 1 7.8700 . . . . . . . 16 LEU HN . 19822 1 147 . 1 1 16 16 LEU HA H 1 4.0700 . . . . . . . 16 LEU HA . 19822 1 148 . 1 1 16 16 LEU HB2 H 1 1.4000 . . . . . . . 16 LEU HB2 . 19822 1 149 . 1 1 16 16 LEU HB3 H 1 1.9200 . . . . . . . 16 LEU HB3 . 19822 1 150 . 1 1 16 16 LEU HG H 1 1.6900 . . . . . . . 16 LEU HG . 19822 1 151 . 1 1 16 16 LEU HD11 H 1 0.7160 . . . . . . . 16 LEU HD1 . 19822 1 152 . 1 1 16 16 LEU HD12 H 1 0.7160 . . . . . . . 16 LEU HD1 . 19822 1 153 . 1 1 16 16 LEU HD13 H 1 0.7160 . . . . . . . 16 LEU HD1 . 19822 1 154 . 1 1 16 16 LEU HD21 H 1 0.7300 . . . . . . . 16 LEU HD2 . 19822 1 155 . 1 1 16 16 LEU HD22 H 1 0.7300 . . . . . . . 16 LEU HD2 . 19822 1 156 . 1 1 16 16 LEU HD23 H 1 0.7300 . . . . . . . 16 LEU HD2 . 19822 1 157 . 1 1 16 16 LEU CA C 13 57.9500 . . . . . . . 16 LEU CA . 19822 1 158 . 1 1 16 16 LEU CB C 13 41.9800 . . . . . . . 16 LEU CB . 19822 1 159 . 1 1 16 16 LEU CG C 13 27.0100 . . . . . . . 16 LEU CG . 19822 1 160 . 1 1 16 16 LEU CD1 C 13 24.7200 . . . . . . . 16 LEU CD1 . 19822 1 161 . 1 1 16 16 LEU CD2 C 13 25.9800 . . . . . . . 16 LEU CD2 . 19822 1 162 . 1 1 16 16 LEU N N 15 119.8500 . . . . . . . 16 LEU N . 19822 1 163 . 1 1 17 17 GLU H H 1 8.0500 . . . . . . . 17 GLU HN . 19822 1 164 . 1 1 17 17 GLU HA H 1 4.1100 . . . . . . . 17 GLU HA . 19822 1 165 . 1 1 17 17 GLU HB2 H 1 1.9100 . . . . . . . 17 GLU HB2 . 19822 1 166 . 1 1 17 17 GLU HB3 H 1 1.9700 . . . . . . . 17 GLU HB3 . 19822 1 167 . 1 1 17 17 GLU HG2 H 1 2.1800 . . . . . . . 17 GLU HG2 . 19822 1 168 . 1 1 17 17 GLU HG3 H 1 2.3100 . . . . . . . 17 GLU HG3 . 19822 1 169 . 1 1 17 17 GLU CA C 13 58.2000 . . . . . . . 17 GLU CA . 19822 1 170 . 1 1 17 17 GLU CB C 13 29.3100 . . . . . . . 17 GLU CB . 19822 1 171 . 1 1 17 17 GLU CG C 13 36.5900 . . . . . . . 17 GLU CG . 19822 1 172 . 1 1 17 17 GLU N N 15 116.1600 . . . . . . . 17 GLU N . 19822 1 173 . 1 1 18 18 ASN H H 1 7.2500 . . . . . . . 18 ASN HN . 19822 1 174 . 1 1 18 18 ASN HA H 1 4.4100 . . . . . . . 18 ASN HA . 19822 1 175 . 1 1 18 18 ASN HB2 H 1 2.4600 . . . . . . . 18 ASN HB2 . 19822 1 176 . 1 1 18 18 ASN HB3 H 1 2.5300 . . . . . . . 18 ASN HB3 . 19822 1 177 . 1 1 18 18 ASN HD21 H 1 6.4500 . . . . . . . 18 ASN HD21 . 19822 1 178 . 1 1 18 18 ASN HD22 H 1 7.1400 . . . . . . . 18 ASN HD22 . 19822 1 179 . 1 1 18 18 ASN CA C 13 54.7600 . . . . . . . 18 ASN CA . 19822 1 180 . 1 1 18 18 ASN CB C 13 38.5700 . . . . . . . 18 ASN CB . 19822 1 181 . 1 1 18 18 ASN N N 15 116.1200 . . . . . . . 18 ASN N . 19822 1 182 . 1 1 18 18 ASN ND2 N 15 111.9500 . . . . . . . 18 ASN ND2 . 19822 1 183 . 1 1 19 19 TYR H H 1 7.9500 . . . . . . . 19 TYR HN . 19822 1 184 . 1 1 19 19 TYR HA H 1 4.3300 . . . . . . . 19 TYR HA . 19822 1 185 . 1 1 19 19 TYR HB2 H 1 3.2700 . . . . . . . 19 TYR HB2 . 19822 1 186 . 1 1 19 19 TYR HB3 H 1 2.9600 . . . . . . . 19 TYR HB3 . 19822 1 187 . 1 1 19 19 TYR HD1 H 1 7.260 . . . . . . . 19 TYR HD1 . 19822 1 188 . 1 1 19 19 TYR HD2 H 1 7.260 . . . . . . . 19 TYR HD2 . 19822 1 189 . 1 1 19 19 TYR HE1 H 1 6.70 . . . . . . . 19 TYR HE1 . 19822 1 190 . 1 1 19 19 TYR HE2 H 1 6.70 . . . . . . . 19 TYR HE2 . 19822 1 191 . 1 1 19 19 TYR CA C 13 59.0600 . . . . . . . 19 TYR CA . 19822 1 192 . 1 1 19 19 TYR CB C 13 38.6100 . . . . . . . 19 TYR CB . 19822 1 193 . 1 1 19 19 TYR CD1 C 13 133.4400 . . . . . . . 19 TYR CD1 . 19822 1 194 . 1 1 19 19 TYR CD2 C 13 133.4400 . . . . . . . 19 TYR CD2 . 19822 1 195 . 1 1 19 19 TYR CE1 C 13 118.0100 . . . . . . . 19 TYR CE1 . 19822 1 196 . 1 1 19 19 TYR CE2 C 13 118.0100 . . . . . . . 19 TYR CE2 . 19822 1 197 . 1 1 19 19 TYR N N 15 117.0100 . . . . . . . 19 TYR N . 19822 1 198 . 1 1 20 20 CYS H H 1 7.4000 . . . . . . . 20 CYS HN . 19822 1 199 . 1 1 20 20 CYS HA H 1 5.0600 . . . . . . . 20 CYS HA . 19822 1 200 . 1 1 20 20 CYS HB2 H 1 3.2460 . . . . . . . 20 CYS HB2 . 19822 1 201 . 1 1 20 20 CYS HB3 H 1 2.8100 . . . . . . . 20 CYS HB3 . 19822 1 202 . 1 1 20 20 CYS CA C 13 53.2400 . . . . . . . 20 CYS CA . 19822 1 203 . 1 1 20 20 CYS CB C 13 35.4900 . . . . . . . 20 CYS CB . 19822 1 204 . 1 1 20 20 CYS N N 15 116.9700 . . . . . . . 20 CYS N . 19822 1 205 . 1 1 21 21 ASN H H 1 8.1600 . . . . . . . 21 ASN HN . 19822 1 206 . 1 1 21 21 ASN HA H 1 4.4100 . . . . . . . 21 ASN HA . 19822 1 207 . 1 1 21 21 ASN HB2 H 1 2.7900 . . . . . . . 21 ASN HB2 . 19822 1 208 . 1 1 21 21 ASN HB3 H 1 2.6300 . . . . . . . 21 ASN HB3 . 19822 1 209 . 1 1 21 21 ASN HD21 H 1 6.5800 . . . . . . . 21 ASN HD21 . 19822 1 210 . 1 1 21 21 ASN HD22 H 1 7.3300 . . . . . . . 21 ASN HD22 . 19822 1 211 . 1 1 21 21 ASN CA C 13 55.3200 . . . . . . . 21 ASN CA . 19822 1 212 . 1 1 21 21 ASN CB C 13 38.8000 . . . . . . . 21 ASN CB . 19822 1 213 . 1 1 21 21 ASN N N 15 125.9500 . . . . . . . 21 ASN N . 19822 1 214 . 1 1 21 21 ASN ND2 N 15 111.9600 . . . . . . . 21 ASN ND2 . 19822 1 215 . 2 2 1 1 PHE HA H 1 4.0200 . . . . . . B 22 PHE HA . 19822 1 216 . 2 2 1 1 PHE HB2 H 1 3.0400 . . . . . . B 22 PHE HB2 . 19822 1 217 . 2 2 1 1 PHE HB3 H 1 3.0400 . . . . . . B 22 PHE HB3 . 19822 1 218 . 2 2 1 1 PHE HD1 H 1 7.1400 . . . . . . B 22 PHE HD1 . 19822 1 219 . 2 2 1 1 PHE HD2 H 1 7.1400 . . . . . . B 22 PHE HD2 . 19822 1 220 . 2 2 1 1 PHE HE1 H 1 7.1500 . . . . . . B 22 PHE HE1 . 19822 1 221 . 2 2 1 1 PHE HE2 H 1 7.1500 . . . . . . B 22 PHE HE2 . 19822 1 222 . 2 2 1 1 PHE HZ H 1 7.2200 . . . . . . B 22 PHE HZ . 19822 1 223 . 2 2 1 1 PHE CA C 13 57.4400 . . . . . . B 22 PHE CA . 19822 1 224 . 2 2 1 1 PHE CB C 13 41.0500 . . . . . . B 22 PHE CB . 19822 1 225 . 2 2 1 1 PHE CD1 C 13 132.1400 . . . . . . B 22 PHE CD1 . 19822 1 226 . 2 2 1 1 PHE CD2 C 13 132.1400 . . . . . . B 22 PHE CD2 . 19822 1 227 . 2 2 1 1 PHE CE1 C 13 130.0200 . . . . . . B 22 PHE CE1 . 19822 1 228 . 2 2 1 1 PHE CE2 C 13 130.0200 . . . . . . B 22 PHE CE2 . 19822 1 229 . 2 2 1 1 PHE CZ C 13 131.7900 . . . . . . B 22 PHE CZ . 19822 1 230 . 2 2 2 2 VAL H H 1 8.2100 . . . . . . B 23 VAL H . 19822 1 231 . 2 2 2 2 VAL HA H 1 3.9700 . . . . . . B 23 VAL HA . 19822 1 232 . 2 2 2 2 VAL HB H 1 1.8400 . . . . . . B 23 VAL HB . 19822 1 233 . 2 2 2 2 VAL HG11 H 1 0.7900 . . . . . . B 23 VAL HG11 . 19822 1 234 . 2 2 2 2 VAL HG12 H 1 0.7900 . . . . . . B 23 VAL HG12 . 19822 1 235 . 2 2 2 2 VAL HG13 H 1 0.7900 . . . . . . B 23 VAL HG13 . 19822 1 236 . 2 2 2 2 VAL HG21 H 1 0.7500 . . . . . . B 23 VAL HG21 . 19822 1 237 . 2 2 2 2 VAL HG22 H 1 0.7500 . . . . . . B 23 VAL HG22 . 19822 1 238 . 2 2 2 2 VAL HG23 H 1 0.7500 . . . . . . B 23 VAL HG23 . 19822 1 239 . 2 2 2 2 VAL CA C 13 62.1000 . . . . . . B 23 VAL CA . 19822 1 240 . 2 2 2 2 VAL CB C 13 32.7500 . . . . . . B 23 VAL CB . 19822 1 241 . 2 2 2 2 VAL CG1 C 13 20.9700 . . . . . . B 23 VAL CG1 . 19822 1 242 . 2 2 2 2 VAL CG2 C 13 20.5900 . . . . . . B 23 VAL CG2 . 19822 1 243 . 2 2 3 3 ASN H H 1 8.5200 . . . . . . B 24 ASN H . 19822 1 244 . 2 2 3 3 ASN HA H 1 4.5500 . . . . . . B 24 ASN HA . 19822 1 245 . 2 2 3 3 ASN HB2 H 1 2.6700 . . . . . . B 24 ASN HB2 . 19822 1 246 . 2 2 3 3 ASN HB3 H 1 2.7500 . . . . . . B 24 ASN HB3 . 19822 1 247 . 2 2 3 3 ASN HD21 H 1 7.5300 . . . . . . B 24 ASN HD21 . 19822 1 248 . 2 2 3 3 ASN HD22 H 1 6.8200 . . . . . . B 24 ASN HD22 . 19822 1 249 . 2 2 3 3 ASN CA C 13 53.3300 . . . . . . B 24 ASN CA . 19822 1 250 . 2 2 3 3 ASN CB C 13 38.3500 . . . . . . B 24 ASN CB . 19822 1 251 . 2 2 3 3 ASN N N 15 122.3300 . . . . . . B 24 ASN N . 19822 1 252 . 2 2 3 3 ASN ND2 N 15 112.2000 . . . . . . B 24 ASN ND2 . 19822 1 253 . 2 2 4 4 GLN H H 1 8.1500 . . . . . . B 25 GLN H . 19822 1 254 . 2 2 4 4 GLN HA H 1 4.4400 . . . . . . B 25 GLN HA . 19822 1 255 . 2 2 4 4 GLN HB2 H 1 2.0200 . . . . . . B 25 GLN HB2 . 19822 1 256 . 2 2 4 4 GLN HB3 H 1 1.8800 . . . . . . B 25 GLN HB3 . 19822 1 257 . 2 2 4 4 GLN HG2 H 1 2.1000 . . . . . . B 25 GLN HG2 . 19822 1 258 . 2 2 4 4 GLN HG3 H 1 2.1600 . . . . . . B 25 GLN HG3 . 19822 1 259 . 2 2 4 4 GLN HE21 H 1 7.3400 . . . . . . B 25 GLN HE21 . 19822 1 260 . 2 2 4 4 GLN HE22 H 1 6.8100 . . . . . . B 25 GLN HE22 . 19822 1 261 . 2 2 4 4 GLN CA C 13 54.7500 . . . . . . B 25 GLN CA . 19822 1 262 . 2 2 4 4 GLN CB C 13 31.2300 . . . . . . B 25 GLN CB . 19822 1 263 . 2 2 4 4 GLN CG C 13 33.1500 . . . . . . B 25 GLN CG . 19822 1 264 . 2 2 4 4 GLN N N 15 118.1400 . . . . . . B 25 GLN N . 19822 1 265 . 2 2 4 4 GLN NE2 N 15 111.6300 . . . . . . B 25 GLN NE2 . 19822 1 266 . 2 2 5 5 HIS H H 1 8.5100 . . . . . . B 26 HIS H . 19822 1 267 . 2 2 5 5 HIS HA H 1 4.3300 . . . . . . B 26 HIS HA . 19822 1 268 . 2 2 5 5 HIS HB2 H 1 3.4750 . . . . . . B 26 HIS HB2 . 19822 1 269 . 2 2 5 5 HIS HB3 H 1 3.1200 . . . . . . B 26 HIS HB3 . 19822 1 270 . 2 2 5 5 HIS HD2 H 1 7.0600 . . . . . . B 26 HIS HD2 . 19822 1 271 . 2 2 5 5 HIS HE1 H 1 8.0700 . . . . . . B 26 HIS HE1 . 19822 1 272 . 2 2 5 5 HIS CA C 13 57.5600 . . . . . . B 26 HIS CA . 19822 1 273 . 2 2 5 5 HIS CB C 13 28.8600 . . . . . . B 26 HIS CB . 19822 1 274 . 2 2 5 5 HIS CE1 C 13 136.9000 . . . . . . B 26 HIS CE1 . 19822 1 275 . 2 2 5 5 HIS N N 15 120.2300 . . . . . . B 26 HIS N . 19822 1 276 . 2 2 6 6 LEU H H 1 8.9700 . . . . . . B 27 LEU H . 19822 1 277 . 2 2 6 6 LEU HA H 1 4.5500 . . . . . . B 27 LEU HA . 19822 1 278 . 2 2 6 6 LEU HB2 H 1 1.7200 . . . . . . B 27 LEU HB2 . 19822 1 279 . 2 2 6 6 LEU HB3 H 1 0.6900 . . . . . . B 27 LEU HB3 . 19822 1 280 . 2 2 6 6 LEU HG H 1 1.5900 . . . . . . B 27 LEU HG . 19822 1 281 . 2 2 6 6 LEU HD11 H 1 0.8100 . . . . . . B 27 LEU HD11 . 19822 1 282 . 2 2 6 6 LEU HD12 H 1 0.8100 . . . . . . B 27 LEU HD12 . 19822 1 283 . 2 2 6 6 LEU HD13 H 1 0.8100 . . . . . . B 27 LEU HD13 . 19822 1 284 . 2 2 6 6 LEU HD21 H 1 0.6900 . . . . . . B 27 LEU HD21 . 19822 1 285 . 2 2 6 6 LEU HD22 H 1 0.6900 . . . . . . B 27 LEU HD22 . 19822 1 286 . 2 2 6 6 LEU HD23 H 1 0.6900 . . . . . . B 27 LEU HD23 . 19822 1 287 . 2 2 6 6 LEU CA C 13 53.7000 . . . . . . B 27 LEU CA . 19822 1 288 . 2 2 6 6 LEU CB C 13 44.8300 . . . . . . B 27 LEU CB . 19822 1 289 . 2 2 6 6 LEU CG C 13 25.5200 . . . . . . B 27 LEU CG . 19822 1 290 . 2 2 6 6 LEU CD1 C 13 26.4000 . . . . . . B 27 LEU CD1 . 19822 1 291 . 2 2 6 6 LEU CD2 C 13 23.7100 . . . . . . B 27 LEU CD2 . 19822 1 292 . 2 2 6 6 LEU N N 15 127.0700 . . . . . . B 27 LEU N . 19822 1 293 . 2 2 7 7 CYS H H 1 8.8800 . . . . . . B 28 CYS H . 19822 1 294 . 2 2 7 7 CYS HA H 1 4.9100 . . . . . . B 28 CYS HA . 19822 1 295 . 2 2 7 7 CYS HB2 H 1 3.1500 . . . . . . B 28 CYS HB2 . 19822 1 296 . 2 2 7 7 CYS HB3 H 1 2.9000 . . . . . . B 28 CYS HB3 . 19822 1 297 . 2 2 7 7 CYS CA C 13 53.9200 . . . . . . B 28 CYS CA . 19822 1 298 . 2 2 7 7 CYS CB C 13 47.4500 . . . . . . B 28 CYS CB . 19822 1 299 . 2 2 7 7 CYS N N 15 120.9800 . . . . . . B 28 CYS N . 19822 1 300 . 2 2 8 8 GLY HA2 H 1 3.3000 . . . . . . B 29 GLY HA2 . 19822 1 301 . 2 2 8 8 GLY HA3 H 1 3.2300 . . . . . . B 29 GLY HA3 . 19822 1 302 . 2 2 8 8 GLY CA C 13 44.2800 . . . . . . B 29 GLY CA . 19822 1 303 . 2 2 9 9 SER HA H 1 4.1000 . . . . . . B 30 SER HA . 19822 1 304 . 2 2 9 9 SER HB2 H 1 3.8800 . . . . . . B 30 SER HB2 . 19822 1 305 . 2 2 9 9 SER HB3 H 1 4.0100 . . . . . . B 30 SER HB3 . 19822 1 306 . 2 2 9 9 SER CA C 13 61.4000 . . . . . . B 30 SER CA . 19822 1 307 . 2 2 9 9 SER CB C 13 62.5300 . . . . . . B 30 SER CB . 19822 1 308 . 2 2 10 10 ASP H H 1 7.9300 . . . . . . B 31 ASP H . 19822 1 309 . 2 2 10 10 ASP HA H 1 4.3500 . . . . . . B 31 ASP HA . 19822 1 310 . 2 2 10 10 ASP HB2 H 1 2.9700 . . . . . . B 31 ASP HB2 . 19822 1 311 . 2 2 10 10 ASP HB3 H 1 2.6200 . . . . . . B 31 ASP HB3 . 19822 1 312 . 2 2 10 10 ASP CA C 13 57.0900 . . . . . . B 31 ASP CA . 19822 1 313 . 2 2 10 10 ASP CB C 13 39.7000 . . . . . . B 31 ASP CB . 19822 1 314 . 2 2 10 10 ASP N N 15 120.9300 . . . . . . B 31 ASP N . 19822 1 315 . 2 2 11 11 LEU H H 1 6.9000 . . . . . . B 32 LEU H . 19822 1 316 . 2 2 11 11 LEU HA H 1 3.8900 . . . . . . B 32 LEU HA . 19822 1 317 . 2 2 11 11 LEU HB2 H 1 1.8200 . . . . . . B 32 LEU HB2 . 19822 1 318 . 2 2 11 11 LEU HB3 H 1 1.1600 . . . . . . B 32 LEU HB3 . 19822 1 319 . 2 2 11 11 LEU HG H 1 1.2800 . . . . . . B 32 LEU HG . 19822 1 320 . 2 2 11 11 LEU HD11 H 1 0.6680 . . . . . . B 32 LEU HD11 . 19822 1 321 . 2 2 11 11 LEU HD12 H 1 0.6680 . . . . . . B 32 LEU HD12 . 19822 1 322 . 2 2 11 11 LEU HD13 H 1 0.6680 . . . . . . B 32 LEU HD13 . 19822 1 323 . 2 2 11 11 LEU HD21 H 1 0.7500 . . . . . . B 32 LEU HD21 . 19822 1 324 . 2 2 11 11 LEU HD22 H 1 0.7500 . . . . . . B 32 LEU HD22 . 19822 1 325 . 2 2 11 11 LEU HD23 H 1 0.7500 . . . . . . B 32 LEU HD23 . 19822 1 326 . 2 2 11 11 LEU CA C 13 57.6100 . . . . . . B 32 LEU CA . 19822 1 327 . 2 2 11 11 LEU CB C 13 40.4500 . . . . . . B 32 LEU CB . 19822 1 328 . 2 2 11 11 LEU CG C 13 27.1000 . . . . . . B 32 LEU CG . 19822 1 329 . 2 2 11 11 LEU CD1 C 13 22.5700 . . . . . . B 32 LEU CD1 . 19822 1 330 . 2 2 11 11 LEU CD2 C 13 25.4800 . . . . . . B 32 LEU CD2 . 19822 1 331 . 2 2 11 11 LEU N N 15 120.7800 . . . . . . B 32 LEU N . 19822 1 332 . 2 2 12 12 VAL H H 1 6.8900 . . . . . . B 33 VAL H . 19822 1 333 . 2 2 12 12 VAL HA H 1 3.1600 . . . . . . B 33 VAL HA . 19822 1 334 . 2 2 12 12 VAL HB H 1 2.0800 . . . . . . B 33 VAL HB . 19822 1 335 . 2 2 12 12 VAL HG11 H 1 0.9400 . . . . . . B 33 VAL HG11 . 19822 1 336 . 2 2 12 12 VAL HG12 H 1 0.9400 . . . . . . B 33 VAL HG12 . 19822 1 337 . 2 2 12 12 VAL HG13 H 1 0.9400 . . . . . . B 33 VAL HG13 . 19822 1 338 . 2 2 12 12 VAL HG21 H 1 0.9370 . . . . . . B 33 VAL HG21 . 19822 1 339 . 2 2 12 12 VAL HG22 H 1 0.9370 . . . . . . B 33 VAL HG22 . 19822 1 340 . 2 2 12 12 VAL HG23 H 1 0.9370 . . . . . . B 33 VAL HG23 . 19822 1 341 . 2 2 12 12 VAL CA C 13 66.6900 . . . . . . B 33 VAL CA . 19822 1 342 . 2 2 12 12 VAL CB C 13 31.6600 . . . . . . B 33 VAL CB . 19822 1 343 . 2 2 12 12 VAL CG1 C 13 21.6400 . . . . . . B 33 VAL CG1 . 19822 1 344 . 2 2 12 12 VAL CG2 C 13 22.4900 . . . . . . B 33 VAL CG2 . 19822 1 345 . 2 2 12 12 VAL N N 15 117.3100 . . . . . . B 33 VAL N . 19822 1 346 . 2 2 13 13 GLU H H 1 7.9000 . . . . . . B 34 GLU H . 19822 1 347 . 2 2 13 13 GLU HA H 1 4.0900 . . . . . . B 34 GLU HA . 19822 1 348 . 2 2 13 13 GLU HB2 H 1 2.0500 . . . . . . B 34 GLU HB2 . 19822 1 349 . 2 2 13 13 GLU HB3 H 1 2.0500 . . . . . . B 34 GLU HB3 . 19822 1 350 . 2 2 13 13 GLU HG2 H 1 2.4200 . . . . . . B 34 GLU HG2 . 19822 1 351 . 2 2 13 13 GLU HG3 H 1 2.3600 . . . . . . B 34 GLU HG3 . 19822 1 352 . 2 2 13 13 GLU CA C 13 59.4600 . . . . . . B 34 GLU CA . 19822 1 353 . 2 2 13 13 GLU CB C 13 29.4400 . . . . . . B 34 GLU CB . 19822 1 354 . 2 2 13 13 GLU CG C 13 36.3700 . . . . . . B 34 GLU CG . 19822 1 355 . 2 2 13 13 GLU N N 15 117.0400 . . . . . . B 34 GLU N . 19822 1 356 . 2 2 14 14 ALA H H 1 7.5500 . . . . . . B 35 ALA H . 19822 1 357 . 2 2 14 14 ALA HA H 1 4.0300 . . . . . . B 35 ALA HA . 19822 1 358 . 2 2 14 14 ALA HB1 H 1 1.2840 . . . . . . B 35 ALA HB1 . 19822 1 359 . 2 2 14 14 ALA HB2 H 1 1.2840 . . . . . . B 35 ALA HB2 . 19822 1 360 . 2 2 14 14 ALA HB3 H 1 1.2840 . . . . . . B 35 ALA HB3 . 19822 1 361 . 2 2 14 14 ALA CA C 13 55.1800 . . . . . . B 35 ALA CA . 19822 1 362 . 2 2 14 14 ALA CB C 13 18.9600 . . . . . . B 35 ALA CB . 19822 1 363 . 2 2 14 14 ALA N N 15 121.2600 . . . . . . B 35 ALA N . 19822 1 364 . 2 2 15 15 LEU H H 1 7.9200 . . . . . . B 36 LEU H . 19822 1 365 . 2 2 15 15 LEU HA H 1 3.6700 . . . . . . B 36 LEU HA . 19822 1 366 . 2 2 15 15 LEU HB2 H 1 0.0010 . . . . . . B 36 LEU HB2 . 19822 1 367 . 2 2 15 15 LEU HB3 H 1 0.8200 . . . . . . B 36 LEU HB3 . 19822 1 368 . 2 2 15 15 LEU HG H 1 1.2700 . . . . . . B 36 LEU HG . 19822 1 369 . 2 2 15 15 LEU HD11 H 1 0.1800 . . . . . . B 36 LEU HD11 . 19822 1 370 . 2 2 15 15 LEU HD12 H 1 0.1800 . . . . . . B 36 LEU HD12 . 19822 1 371 . 2 2 15 15 LEU HD13 H 1 0.1800 . . . . . . B 36 LEU HD13 . 19822 1 372 . 2 2 15 15 LEU HD21 H 1 0.5000 . . . . . . B 36 LEU HD21 . 19822 1 373 . 2 2 15 15 LEU HD22 H 1 0.5000 . . . . . . B 36 LEU HD22 . 19822 1 374 . 2 2 15 15 LEU HD23 H 1 0.5000 . . . . . . B 36 LEU HD23 . 19822 1 375 . 2 2 15 15 LEU CA C 13 57.6300 . . . . . . B 36 LEU CA . 19822 1 376 . 2 2 15 15 LEU CB C 13 40.1600 . . . . . . B 36 LEU CB . 19822 1 377 . 2 2 15 15 LEU CG C 13 26.4800 . . . . . . B 36 LEU CG . 19822 1 378 . 2 2 15 15 LEU CD1 C 13 26.4400 . . . . . . B 36 LEU CD1 . 19822 1 379 . 2 2 15 15 LEU CD2 C 13 23.8800 . . . . . . B 36 LEU CD2 . 19822 1 380 . 2 2 15 15 LEU N N 15 118.4500 . . . . . . B 36 LEU N . 19822 1 381 . 2 2 16 16 TYR H H 1 8.0900 . . . . . . B 37 TYR H . 19822 1 382 . 2 2 16 16 TYR HA H 1 4.3700 . . . . . . B 37 TYR HA . 19822 1 383 . 2 2 16 16 TYR HB2 H 1 3.1100 . . . . . . B 37 TYR HB2 . 19822 1 384 . 2 2 16 16 TYR HD1 H 1 7.2200 . . . . . . B 37 TYR HD1 . 19822 1 385 . 2 2 16 16 TYR HD2 H 1 7.2200 . . . . . . B 37 TYR HD2 . 19822 1 386 . 2 2 16 16 TYR HE1 H 1 6.7500 . . . . . . B 37 TYR HE1 . 19822 1 387 . 2 2 16 16 TYR HE2 H 1 6.7500 . . . . . . B 37 TYR HE2 . 19822 1 388 . 2 2 16 16 TYR CA C 13 61.8000 . . . . . . B 37 TYR CA . 19822 1 389 . 2 2 16 16 TYR CB C 13 37.8800 . . . . . . B 37 TYR CB . 19822 1 390 . 2 2 16 16 TYR CD1 C 13 133.1900 . . . . . . B 37 TYR CD1 . 19822 1 391 . 2 2 16 16 TYR CD2 C 13 133.1900 . . . . . . B 37 TYR CD2 . 19822 1 392 . 2 2 16 16 TYR CE1 C 13 118.1400 . . . . . . B 37 TYR CE1 . 19822 1 393 . 2 2 16 16 TYR CE2 C 13 118.1400 . . . . . . B 37 TYR CE2 . 19822 1 394 . 2 2 16 16 TYR N N 15 119.5900 . . . . . . B 37 TYR N . 19822 1 395 . 2 2 17 17 LEU H H 1 7.4800 . . . . . . B 38 LEU H . 19822 1 396 . 2 2 17 17 LEU HA H 1 4.0480 . . . . . . B 38 LEU HA . 19822 1 397 . 2 2 17 17 LEU HB2 H 1 1.8800 . . . . . . B 38 LEU HB2 . 19822 1 398 . 2 2 17 17 LEU HB3 H 1 1.6900 . . . . . . B 38 LEU HB3 . 19822 1 399 . 2 2 17 17 LEU HG H 1 1.7100 . . . . . . B 38 LEU HG . 19822 1 400 . 2 2 17 17 LEU HD11 H 1 0.9000 . . . . . . B 38 LEU HD11 . 19822 1 401 . 2 2 17 17 LEU HD12 H 1 0.9000 . . . . . . B 38 LEU HD12 . 19822 1 402 . 2 2 17 17 LEU HD13 H 1 0.9000 . . . . . . B 38 LEU HD13 . 19822 1 403 . 2 2 17 17 LEU HD21 H 1 0.8600 . . . . . . B 38 LEU HD21 . 19822 1 404 . 2 2 17 17 LEU HD22 H 1 0.8600 . . . . . . B 38 LEU HD22 . 19822 1 405 . 2 2 17 17 LEU HD23 H 1 0.8600 . . . . . . B 38 LEU HD23 . 19822 1 406 . 2 2 17 17 LEU CA C 13 57.7300 . . . . . . B 38 LEU CA . 19822 1 407 . 2 2 17 17 LEU CB C 13 42.1200 . . . . . . B 38 LEU CB . 19822 1 408 . 2 2 17 17 LEU CG C 13 27.0100 . . . . . . B 38 LEU CG . 19822 1 409 . 2 2 17 17 LEU CD1 C 13 24.6700 . . . . . . B 38 LEU CD1 . 19822 1 410 . 2 2 17 17 LEU CD2 C 13 24.2000 . . . . . . B 38 LEU CD2 . 19822 1 411 . 2 2 17 17 LEU N N 15 119.4900 . . . . . . B 38 LEU N . 19822 1 412 . 2 2 18 18 VAL H H 1 8.3200 . . . . . . B 39 VAL H . 19822 1 413 . 2 2 18 18 VAL HA H 1 3.7200 . . . . . . B 39 VAL HA . 19822 1 414 . 2 2 18 18 VAL HB H 1 1.9100 . . . . . . B 39 VAL HB . 19822 1 415 . 2 2 18 18 VAL HG11 H 1 0.8100 . . . . . . B 39 VAL HG11 . 19822 1 416 . 2 2 18 18 VAL HG12 H 1 0.8100 . . . . . . B 39 VAL HG12 . 19822 1 417 . 2 2 18 18 VAL HG13 H 1 0.8100 . . . . . . B 39 VAL HG13 . 19822 1 418 . 2 2 18 18 VAL HG21 H 1 0.9500 . . . . . . B 39 VAL HG21 . 19822 1 419 . 2 2 18 18 VAL HG22 H 1 0.9500 . . . . . . B 39 VAL HG22 . 19822 1 420 . 2 2 18 18 VAL HG23 H 1 0.9500 . . . . . . B 39 VAL HG23 . 19822 1 421 . 2 2 18 18 VAL CA C 13 65.5100 . . . . . . B 39 VAL CA . 19822 1 422 . 2 2 18 18 VAL CB C 13 32.8700 . . . . . . B 39 VAL CB . 19822 1 423 . 2 2 18 18 VAL CG1 C 13 21.4900 . . . . . . B 39 VAL CG1 . 19822 1 424 . 2 2 18 18 VAL CG2 C 13 22.9200 . . . . . . B 39 VAL CG2 . 19822 1 425 . 2 2 18 18 VAL N N 15 117.9100 . . . . . . B 39 VAL N . 19822 1 426 . 2 2 19 19 CYS H H 1 8.8300 . . . . . . B 40 CYS H . 19822 1 427 . 2 2 19 19 CYS HA H 1 4.7800 . . . . . . B 40 CYS HA . 19822 1 428 . 2 2 19 19 CYS HB2 H 1 3.2500 . . . . . . B 40 CYS HB2 . 19822 1 429 . 2 2 19 19 CYS HB3 H 1 2.9000 . . . . . . B 40 CYS HB3 . 19822 1 430 . 2 2 19 19 CYS CA C 13 53.8700 . . . . . . B 40 CYS CA . 19822 1 431 . 2 2 19 19 CYS CB C 13 36.3200 . . . . . . B 40 CYS CB . 19822 1 432 . 2 2 19 19 CYS N N 15 115.5100 . . . . . . B 40 CYS N . 19822 1 433 . 2 2 20 20 GLY H H 1 7.6900 . . . . . . B 41 GLY H . 19822 1 434 . 2 2 20 20 GLY HA2 H 1 3.9300 . . . . . . B 41 GLY HA2 . 19822 1 435 . 2 2 20 20 GLY HA3 H 1 3.8100 . . . . . . B 41 GLY HA3 . 19822 1 436 . 2 2 20 20 GLY CA C 13 46.9000 . . . . . . B 41 GLY CA . 19822 1 437 . 2 2 20 20 GLY N N 15 108.9500 . . . . . . B 41 GLY N . 19822 1 438 . 2 2 21 21 GLU H H 1 9.1000 . . . . . . B 42 GLU H . 19822 1 439 . 2 2 21 21 GLU HA H 1 4.1000 . . . . . . B 42 GLU HA . 19822 1 440 . 2 2 21 21 GLU HB2 H 1 1.9900 . . . . . . B 42 GLU HB2 . 19822 1 441 . 2 2 21 21 GLU HB3 H 1 2.1300 . . . . . . B 42 GLU HB3 . 19822 1 442 . 2 2 21 21 GLU HG2 H 1 2.3100 . . . . . . B 42 GLU HG2 . 19822 1 443 . 2 2 21 21 GLU CA C 13 57.7100 . . . . . . B 42 GLU CA . 19822 1 444 . 2 2 21 21 GLU CB C 13 29.4700 . . . . . . B 42 GLU CB . 19822 1 445 . 2 2 21 21 GLU CG C 13 36.2500 . . . . . . B 42 GLU CG . 19822 1 446 . 2 2 21 21 GLU N N 15 125.0200 . . . . . . B 42 GLU N . 19822 1 447 . 2 2 22 22 ARG H H 1 8.0600 . . . . . . B 43 ARG H . 19822 1 448 . 2 2 22 22 ARG HA H 1 4.1000 . . . . . . B 43 ARG HA . 19822 1 449 . 2 2 22 22 ARG HB2 H 1 2.0400 . . . . . . B 43 ARG HB2 . 19822 1 450 . 2 2 22 22 ARG HG2 H 1 1.8100 . . . . . . B 43 ARG HG2 . 19822 1 451 . 2 2 22 22 ARG HD2 H 1 3.3000 . . . . . . B 43 ARG HD2 . 19822 1 452 . 2 2 22 22 ARG HD3 H 1 3.2500 . . . . . . B 43 ARG HD3 . 19822 1 453 . 2 2 22 22 ARG HE H 1 7.1600 . . . . . . B 43 ARG HE . 19822 1 454 . 2 2 22 22 ARG CA C 13 58.0400 . . . . . . B 43 ARG CA . 19822 1 455 . 2 2 22 22 ARG CB C 13 31.1800 . . . . . . B 43 ARG CB . 19822 1 456 . 2 2 22 22 ARG CG C 13 27.0400 . . . . . . B 43 ARG CG . 19822 1 457 . 2 2 22 22 ARG CD C 13 44.2000 . . . . . . B 43 ARG CD . 19822 1 458 . 2 2 22 22 ARG N N 15 118.1100 . . . . . . B 43 ARG N . 19822 1 459 . 2 2 22 22 ARG NE N 15 83.9900 . . . . . . B 43 ARG NE . 19822 1 460 . 2 2 23 23 GLY H H 1 7.2500 . . . . . . B 44 GLY H . 19822 1 461 . 2 2 23 23 GLY HA2 H 1 4.0000 . . . . . . B 44 GLY HA2 . 19822 1 462 . 2 2 23 23 GLY HA3 H 1 3.7100 . . . . . . B 44 GLY HA3 . 19822 1 463 . 2 2 24 24 PHE H H 1 8.2400 . . . . . . B 45 PHE H . 19822 1 464 . 2 2 24 24 PHE HA H 1 5.0500 . . . . . . B 45 PHE HA . 19822 1 465 . 2 2 24 24 PHE HB2 H 1 3.3800 . . . . . . B 45 PHE HB2 . 19822 1 466 . 2 2 24 24 PHE HB3 H 1 2.8200 . . . . . . B 45 PHE HB3 . 19822 1 467 . 2 2 24 24 PHE HD1 H 1 6.3000 . . . . . . B 45 PHE HD1 . 19822 1 468 . 2 2 24 24 PHE HD2 H 1 6.3000 . . . . . . B 45 PHE HD2 . 19822 1 469 . 2 2 24 24 PHE HE1 H 1 6.7300 . . . . . . B 45 PHE HE1 . 19822 1 470 . 2 2 24 24 PHE HE2 H 1 6.7300 . . . . . . B 45 PHE HE2 . 19822 1 471 . 2 2 24 24 PHE HZ H 1 7.0500 . . . . . . B 45 PHE HZ . 19822 1 472 . 2 2 25 25 DHE H H 1 8.2200 . . . . . . B 46 23F H . 19822 1 473 . 2 2 25 25 DHE HB2 H 1 4.7000 . . . . . . B 46 23F HB2 . 19822 1 474 . 2 2 25 25 DHE HD1 H 1 7.150 . . . . . . B 46 23F HD1 . 19822 1 475 . 2 2 25 25 DHE HD2 H 1 7.150 . . . . . . B 46 23F HD2 . 19822 1 476 . 2 2 25 25 DHE HE1 H 1 7.3000 . . . . . . B 46 23F HE1 . 19822 1 477 . 2 2 25 25 DHE HE2 H 1 7.3000 . . . . . . B 46 23F HE2 . 19822 1 478 . 2 2 25 25 DHE HZ H 1 7.6000 . . . . . . B 46 23F HZ . 19822 1 479 . 2 2 26 26 TYR HA H 1 4.4200 . . . . . . B 47 TYR HA . 19822 1 480 . 2 2 26 26 TYR HB2 H 1 3.0300 . . . . . . B 47 TYR HB2 . 19822 1 481 . 2 2 26 26 TYR HD1 H 1 7.2200 . . . . . . B 47 TYR HD1 . 19822 1 482 . 2 2 26 26 TYR HD2 H 1 7.2200 . . . . . . B 47 TYR HD2 . 19822 1 483 . 2 2 26 26 TYR HE1 H 1 6.6900 . . . . . . B 47 TYR HE1 . 19822 1 484 . 2 2 26 26 TYR HE2 H 1 6.6900 . . . . . . B 47 TYR HE2 . 19822 1 485 . 2 2 27 27 THR H H 1 7.7200 . . . . . . B 48 THR H . 19822 1 486 . 2 2 27 27 THR HA H 1 4.3600 . . . . . . B 48 THR HA . 19822 1 487 . 2 2 27 27 THR HB H 1 4.0400 . . . . . . B 48 THR HB . 19822 1 488 . 2 2 27 27 THR HG21 H 1 1.0400 . . . . . . B 48 THR HG21 . 19822 1 489 . 2 2 27 27 THR HG22 H 1 1.0400 . . . . . . B 48 THR HG22 . 19822 1 490 . 2 2 27 27 THR HG23 H 1 1.0400 . . . . . . B 48 THR HG23 . 19822 1 491 . 2 2 28 28 LYS H H 1 8.1600 . . . . . . B 49 LYS H . 19822 1 492 . 2 2 28 28 LYS HA H 1 4.2100 . . . . . . B 49 LYS HA . 19822 1 493 . 2 2 28 28 LYS HB2 H 1 1.7700 . . . . . . B 49 LYS HB2 . 19822 1 494 . 2 2 28 28 LYS HB3 H 1 1.6800 . . . . . . B 49 LYS HB3 . 19822 1 495 . 2 2 28 28 LYS HG2 H 1 1.4400 . . . . . . B 49 LYS HG2 . 19822 1 496 . 2 2 28 28 LYS HD2 H 1 2.9100 . . . . . . B 49 LYS HD2 . 19822 1 497 . 2 2 28 28 LYS HE2 H 1 2.9800 . . . . . . B 49 LYS HE2 . 19822 1 498 . 2 2 29 29 PRO HA H 1 4.4800 . . . . . . B 50 PRO HA . 19822 1 499 . 2 2 29 29 PRO HB2 H 1 2.2300 . . . . . . B 50 PRO HB2 . 19822 1 500 . 2 2 29 29 PRO HB3 H 1 1.9300 . . . . . . B 50 PRO HB3 . 19822 1 501 . 2 2 29 29 PRO HG2 H 1 1.9900 . . . . . . B 50 PRO HG2 . 19822 1 502 . 2 2 29 29 PRO HG3 H 1 1.9300 . . . . . . B 50 PRO HG3 . 19822 1 503 . 2 2 29 29 PRO HD2 H 1 3.6200 . . . . . . B 50 PRO HD2 . 19822 1 504 . 2 2 29 29 PRO HD3 H 1 3.7700 . . . . . . B 50 PRO HD3 . 19822 1 505 . 2 2 30 30 THR H H 1 7.7200 . . . . . . B 51 THR H . 19822 1 506 . 2 2 30 30 THR HA H 1 4.1800 . . . . . . B 51 THR HA . 19822 1 507 . 2 2 30 30 THR HB H 1 4.0900 . . . . . . B 51 THR HB . 19822 1 508 . 2 2 30 30 THR HG21 H 1 1.1300 . . . . . . B 51 THR HG21 . 19822 1 509 . 2 2 30 30 THR HG22 H 1 1.1300 . . . . . . B 51 THR HG22 . 19822 1 510 . 2 2 30 30 THR HG23 H 1 1.1300 . . . . . . B 51 THR HG23 . 19822 1 stop_ save_