################################### # 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 16627 _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 'For stereo assignments 3D HN(CO)HB and 3D HAHB(CACO)NH experiments were also carried out.' _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 '3D CBCA(CO)NH' . . . 16627 1 2 '3D HBHA(CO)NH' . . . 16627 1 3 '3D HNCO' . . . 16627 1 4 '3D HNHB' . . . 16627 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 MET HA H 1 3.87 0.010 . 1 . . . . 1 MET HA . 16627 1 2 . 1 1 1 1 MET HB2 H 1 1.85 0.010 . 2 . . . . 1 MET HB2 . 16627 1 3 . 1 1 1 1 MET HB3 H 1 1.85 0.010 . 2 . . . . 1 MET HB3 . 16627 1 4 . 1 1 1 1 MET C C 13 181.16 0.040 . 1 . . . . 1 MET C . 16627 1 5 . 1 1 1 1 MET CA C 13 54.81 0.040 . 1 . . . . 1 MET CA . 16627 1 6 . 1 1 1 1 MET CB C 13 32.66 0.040 . 1 . . . . 1 MET CB . 16627 1 7 . 1 1 2 2 GLN H H 1 8.54 0.010 . 1 . . . . 2 GLN H . 16627 1 8 . 1 1 2 2 GLN HA H 1 4.19 0.010 . 1 . . . . 2 GLN HA . 16627 1 9 . 1 1 2 2 GLN HB2 H 1 1.70 0.010 . 1 . . . . 2 GLN HB2 . 16627 1 10 . 1 1 2 2 GLN HB3 H 1 1.77 0.010 . 1 . . . . 2 GLN HB3 . 16627 1 11 . 1 1 2 2 GLN C C 13 174.77 0.040 . 1 . . . . 2 GLN C . 16627 1 12 . 1 1 2 2 GLN CA C 13 55.32 0.040 . 1 . . . . 2 GLN CA . 16627 1 13 . 1 1 2 2 GLN CB C 13 29.71 0.040 . 1 . . . . 2 GLN CB . 16627 1 14 . 1 1 2 2 GLN N N 15 123.37 0.040 . 1 . . . . 2 GLN N . 16627 1 15 . 1 1 3 3 TYR H H 1 8.22 0.010 . 1 . . . . 3 TYR H . 16627 1 16 . 1 1 3 3 TYR HA H 1 4.35 0.010 . 1 . . . . 3 TYR HA . 16627 1 17 . 1 1 3 3 TYR HB2 H 1 2.65 0.010 . 1 . . . . 3 TYR HB2 . 16627 1 18 . 1 1 3 3 TYR HB3 H 1 2.80 0.010 . 1 . . . . 3 TYR HB3 . 16627 1 19 . 1 1 3 3 TYR C C 13 175.19 0.040 . 1 . . . . 3 TYR C . 16627 1 20 . 1 1 3 3 TYR CA C 13 57.52 0.040 . 1 . . . . 3 TYR CA . 16627 1 21 . 1 1 3 3 TYR CB C 13 38.92 0.040 . 1 . . . . 3 TYR CB . 16627 1 22 . 1 1 3 3 TYR N N 15 122.67 0.040 . 1 . . . . 3 TYR N . 16627 1 23 . 1 1 4 4 LYS H H 1 8.18 0.010 . 1 . . . . 4 LYS H . 16627 1 24 . 1 1 4 4 LYS HA H 1 4.07 0.010 . 1 . . . . 4 LYS HA . 16627 1 25 . 1 1 4 4 LYS HB2 H 1 1.46 0.010 . 1 . . . . 4 LYS HB2 . 16627 1 26 . 1 1 4 4 LYS HB3 H 1 1.52 0.010 . 1 . . . . 4 LYS HB3 . 16627 1 27 . 1 1 4 4 LYS C C 13 175.44 0.040 . 1 . . . . 4 LYS C . 16627 1 28 . 1 1 4 4 LYS CA C 13 55.77 0.040 . 1 . . . . 4 LYS CA . 16627 1 29 . 1 1 4 4 LYS CB C 13 33.24 0.040 . 1 . . . . 4 LYS CB . 16627 1 30 . 1 1 4 4 LYS N N 15 123.22 0.040 . 1 . . . . 4 LYS N . 16627 1 31 . 1 1 5 5 LEU H H 1 8.07 0.010 . 1 . . . . 5 LEU H . 16627 1 32 . 1 1 5 5 LEU HA H 1 4.12 0.010 . 1 . . . . 5 LEU HA . 16627 1 33 . 1 1 5 5 LEU HB2 H 1 1.32 0.010 . 2 . . . . 5 LEU HB2 . 16627 1 34 . 1 1 5 5 LEU HB3 H 1 1.32 0.010 . 2 . . . . 5 LEU HB3 . 16627 1 35 . 1 1 5 5 LEU C C 13 176.34 0.040 . 1 . . . . 5 LEU C . 16627 1 36 . 1 1 5 5 LEU CA C 13 54.81 0.040 . 1 . . . . 5 LEU CA . 16627 1 37 . 1 1 5 5 LEU CB C 13 42.43 0.040 . 1 . . . . 5 LEU CB . 16627 1 38 . 1 1 5 5 LEU N N 15 124.20 0.040 . 1 . . . . 5 LEU N . 16627 1 39 . 1 1 6 6 ILE H H 1 8.15 0.010 . 1 . . . . 6 ILE H . 16627 1 40 . 1 1 6 6 ILE HA H 1 3.94 0.010 . 1 . . . . 6 ILE HA . 16627 1 41 . 1 1 6 6 ILE HB H 1 1.59 0.010 . 1 . . . . 6 ILE HB . 16627 1 42 . 1 1 6 6 ILE C C 13 175.67 0.040 . 1 . . . . 6 ILE C . 16627 1 43 . 1 1 6 6 ILE CA C 13 60.52 0.040 . 1 . . . . 6 ILE CA . 16627 1 44 . 1 1 6 6 ILE CB C 13 38.10 0.040 . 1 . . . . 6 ILE CB . 16627 1 45 . 1 1 6 6 ILE N N 15 123.80 0.040 . 1 . . . . 6 ILE N . 16627 1 46 . 1 1 7 7 LEU H H 1 8.21 0.010 . 1 . . . . 7 LEU H . 16627 1 47 . 1 1 7 7 LEU HA H 1 4.19 0.010 . 1 . . . . 7 LEU HA . 16627 1 48 . 1 1 7 7 LEU HB2 H 1 1.40 0.010 . 1 . . . . 7 LEU HB2 . 16627 1 49 . 1 1 7 7 LEU HB3 H 1 1.31 0.010 . 1 . . . . 7 LEU HB3 . 16627 1 50 . 1 1 7 7 LEU C C 13 176.53 0.040 . 1 . . . . 7 LEU C . 16627 1 51 . 1 1 7 7 LEU CA C 13 54.42 0.040 . 1 . . . . 7 LEU CA . 16627 1 52 . 1 1 7 7 LEU CB C 13 42.12 0.040 . 1 . . . . 7 LEU CB . 16627 1 53 . 1 1 7 7 LEU N N 15 127.09 0.040 . 1 . . . . 7 LEU N . 16627 1 54 . 1 1 8 8 ASN H H 1 8.27 0.010 . 1 . . . . 8 ASN H . 16627 1 55 . 1 1 8 8 ASN HA H 1 4.48 0.010 . 1 . . . . 8 ASN HA . 16627 1 56 . 1 1 8 8 ASN HB2 H 1 2.57 0.010 . 1 . . . . 8 ASN HB2 . 16627 1 57 . 1 1 8 8 ASN HB3 H 1 2.62 0.010 . 1 . . . . 8 ASN HB3 . 16627 1 58 . 1 1 8 8 ASN C C 13 175.34 0.040 . 1 . . . . 8 ASN C . 16627 1 59 . 1 1 8 8 ASN CA C 13 53.01 0.040 . 1 . . . . 8 ASN CA . 16627 1 60 . 1 1 8 8 ASN CB C 13 38.87 0.040 . 1 . . . . 8 ASN CB . 16627 1 61 . 1 1 8 8 ASN N N 15 119.63 0.040 . 1 . . . . 8 ASN N . 16627 1 62 . 1 1 9 9 GLY H H 1 8.17 0.010 . 1 . . . . 9 GLY H . 16627 1 63 . 1 1 9 9 GLY HA2 H 1 3.74 0.010 . 2 . . . . 9 GLY HA2 . 16627 1 64 . 1 1 9 9 GLY HA3 H 1 3.69 0.010 . 2 . . . . 9 GLY HA3 . 16627 1 65 . 1 1 9 9 GLY C C 13 173.64 0.040 . 1 . . . . 9 GLY C . 16627 1 66 . 1 1 9 9 GLY CA C 13 45.16 0.040 . 1 . . . . 9 GLY CA . 16627 1 67 . 1 1 9 9 GLY N N 15 108.73 0.040 . 1 . . . . 9 GLY N . 16627 1 68 . 1 1 10 10 LYS H H 1 7.96 0.010 . 1 . . . . 10 LYS H . 16627 1 69 . 1 1 10 10 LYS HA H 1 4.18 0.010 . 1 . . . . 10 LYS HA . 16627 1 70 . 1 1 10 10 LYS HB2 H 1 1.53 0.010 . 1 . . . . 10 LYS HB2 . 16627 1 71 . 1 1 10 10 LYS HB3 H 1 1.61 0.010 . 1 . . . . 10 LYS HB3 . 16627 1 72 . 1 1 10 10 LYS C C 13 176.46 0.040 . 1 . . . . 10 LYS C . 16627 1 73 . 1 1 10 10 LYS CA C 13 56.13 0.040 . 1 . . . . 10 LYS CA . 16627 1 74 . 1 1 10 10 LYS CB C 13 33.19 0.040 . 1 . . . . 10 LYS CB . 16627 1 75 . 1 1 10 10 LYS N N 15 120.41 0.040 . 1 . . . . 10 LYS N . 16627 1 76 . 1 1 11 11 THR H H 1 8.00 0.010 . 1 . . . . 11 THR H . 16627 1 77 . 1 1 11 11 THR HA H 1 4.13 0.010 . 1 . . . . 11 THR HA . 16627 1 78 . 1 1 11 11 THR HB H 1 3.96 0.010 . 1 . . . . 11 THR HB . 16627 1 79 . 1 1 11 11 THR C C 13 174.18 0.040 . 1 . . . . 11 THR C . 16627 1 80 . 1 1 11 11 THR CA C 13 61.49 0.040 . 1 . . . . 11 THR CA . 16627 1 81 . 1 1 11 11 THR CB C 13 69.78 0.040 . 1 . . . . 11 THR CB . 16627 1 82 . 1 1 11 11 THR N N 15 115.24 0.040 . 1 . . . . 11 THR N . 16627 1 83 . 1 1 12 12 LEU H H 1 8.09 0.010 . 1 . . . . 12 LEU H . 16627 1 84 . 1 1 12 12 LEU HA H 1 4.16 0.010 . 1 . . . . 12 LEU HA . 16627 1 85 . 1 1 12 12 LEU HB2 H 1 1.39 0.010 . 2 . . . . 12 LEU HB2 . 16627 1 86 . 1 1 12 12 LEU HB3 H 1 1.39 0.010 . 2 . . . . 12 LEU HB3 . 16627 1 87 . 1 1 12 12 LEU C C 13 176.90 0.040 . 1 . . . . 12 LEU C . 16627 1 88 . 1 1 12 12 LEU CA C 13 54.81 0.040 . 1 . . . . 12 LEU CA . 16627 1 89 . 1 1 12 12 LEU CB C 13 42.09 0.040 . 1 . . . . 12 LEU CB . 16627 1 90 . 1 1 12 12 LEU N N 15 124.82 0.040 . 1 . . . . 12 LEU N . 16627 1 91 . 1 1 13 13 LYS H H 1 8.19 0.010 . 1 . . . . 13 LYS H . 16627 1 92 . 1 1 13 13 LYS HA H 1 4.07 0.010 . 1 . . . . 13 LYS HA . 16627 1 93 . 1 1 13 13 LYS HB2 H 1 1.53 0.010 . 1 . . . . 13 LYS HB2 . 16627 1 94 . 1 1 13 13 LYS HB3 H 1 1.60 0.010 . 1 . . . . 13 LYS HB3 . 16627 1 95 . 1 1 13 13 LYS C C 13 176.74 0.040 . 1 . . . . 13 LYS C . 16627 1 96 . 1 1 13 13 LYS CA C 13 56.30 0.040 . 1 . . . . 13 LYS CA . 16627 1 97 . 1 1 13 13 LYS CB C 13 32.87 0.040 . 1 . . . . 13 LYS CB . 16627 1 98 . 1 1 13 13 LYS N N 15 122.31 0.040 . 1 . . . . 13 LYS N . 16627 1 99 . 1 1 14 14 GLY H H 1 8.19 0.010 . 1 . . . . 14 GLY H . 16627 1 100 . 1 1 14 14 GLY HA2 H 1 3.75 0.010 . 2 . . . . 14 GLY HA2 . 16627 1 101 . 1 1 14 14 GLY HA3 H 1 3.75 0.010 . 2 . . . . 14 GLY HA3 . 16627 1 102 . 1 1 14 14 GLY C C 13 177.26 0.040 . 1 . . . . 14 GLY C . 16627 1 103 . 1 1 14 14 GLY CA C 13 45.06 0.040 . 1 . . . . 14 GLY CA . 16627 1 104 . 1 1 14 14 GLY N N 15 109.87 0.040 . 1 . . . . 14 GLY N . 16627 1 105 . 1 1 15 15 GLU H H 1 8.00 0.010 . 1 . . . . 15 GLU H . 16627 1 106 . 1 1 15 15 GLU HA H 1 4.26 0.010 . 1 . . . . 15 GLU HA . 16627 1 107 . 1 1 15 15 GLU HB2 H 1 1.78 0.010 . 1 . . . . 15 GLU HB2 . 16627 1 108 . 1 1 15 15 GLU HB3 H 1 1.91 0.010 . 1 . . . . 15 GLU HB3 . 16627 1 109 . 1 1 15 15 GLU C C 13 175.99 0.040 . 1 . . . . 15 GLU C . 16627 1 110 . 1 1 15 15 GLU CA C 13 55.40 0.040 . 1 . . . . 15 GLU CA . 16627 1 111 . 1 1 15 15 GLU CB C 13 28.95 0.040 . 1 . . . . 15 GLU CB . 16627 1 112 . 1 1 15 15 GLU N N 15 119.37 0.040 . 1 . . . . 15 GLU N . 16627 1 113 . 1 1 16 16 THR H H 1 8.09 0.010 . 1 . . . . 16 THR H . 16627 1 114 . 1 1 16 16 THR HA H 1 4.24 0.010 . 1 . . . . 16 THR HA . 16627 1 115 . 1 1 16 16 THR HB H 1 4.04 0.010 . 1 . . . . 16 THR HB . 16627 1 116 . 1 1 16 16 THR C C 13 174.49 0.040 . 1 . . . . 16 THR C . 16627 1 117 . 1 1 16 16 THR CA C 13 61.48 0.040 . 1 . . . . 16 THR CA . 16627 1 118 . 1 1 16 16 THR CB C 13 69.80 0.040 . 1 . . . . 16 THR CB . 16627 1 119 . 1 1 16 16 THR N N 15 114.96 0.040 . 1 . . . . 16 THR N . 16627 1 120 . 1 1 17 17 THR H H 1 8.05 0.010 . 1 . . . . 17 THR H . 16627 1 121 . 1 1 17 17 THR HA H 1 4.24 0.010 . 1 . . . . 17 THR HA . 16627 1 122 . 1 1 17 17 THR HB H 1 4.05 0.010 . 1 . . . . 17 THR HB . 16627 1 123 . 1 1 17 17 THR C C 13 174.46 0.040 . 1 . . . . 17 THR C . 16627 1 124 . 1 1 17 17 THR CA C 13 61.48 0.040 . 1 . . . . 17 THR CA . 16627 1 125 . 1 1 17 17 THR CB C 13 69.77 0.040 . 1 . . . . 17 THR CB . 16627 1 126 . 1 1 17 17 THR N N 15 115.81 0.040 . 1 . . . . 17 THR N . 16627 1 127 . 1 1 18 18 THR H H 1 7.97 0.010 . 1 . . . . 18 THR H . 16627 1 128 . 1 1 18 18 THR HA H 1 4.13 0.010 . 1 . . . . 18 THR HA . 16627 1 129 . 1 1 18 18 THR HB H 1 4.00 0.010 . 1 . . . . 18 THR HB . 16627 1 130 . 1 1 18 18 THR C C 13 174.21 0.040 . 1 . . . . 18 THR C . 16627 1 131 . 1 1 18 18 THR CA C 13 61.73 0.040 . 1 . . . . 18 THR CA . 16627 1 132 . 1 1 18 18 THR CB C 13 69.53 0.040 . 1 . . . . 18 THR CB . 16627 1 133 . 1 1 18 18 THR N N 15 115.71 0.040 . 1 . . . . 18 THR N . 16627 1 134 . 1 1 19 19 GLU H H 1 8.08 0.010 . 1 . . . . 19 GLU H . 16627 1 135 . 1 1 19 19 GLU HA H 1 4.14 0.010 . 1 . . . . 19 GLU HA . 16627 1 136 . 1 1 19 19 GLU HB2 H 1 1.75 0.010 . 1 . . . . 19 GLU HB2 . 16627 1 137 . 1 1 19 19 GLU HB3 H 1 1.87 0.010 . 1 . . . . 19 GLU HB3 . 16627 1 138 . 1 1 19 19 GLU C C 13 175.36 0.040 . 1 . . . . 19 GLU C . 16627 1 139 . 1 1 19 19 GLU CA C 13 55.47 0.040 . 1 . . . . 19 GLU CA . 16627 1 140 . 1 1 19 19 GLU CB C 13 28.79 0.040 . 1 . . . . 19 GLU CB . 16627 1 141 . 1 1 19 19 GLU N N 15 122.19 0.040 . 1 . . . . 19 GLU N . 16627 1 142 . 1 1 20 20 ALA H H 1 8.10 0.010 . 1 . . . . 20 ALA H . 16627 1 143 . 1 1 20 20 ALA HA H 1 4.10 0.010 . 1 . . . . 20 ALA HA . 16627 1 144 . 1 1 20 20 ALA HB1 H 1 1.15 0.010 . 1 . . . . 20 ALA HB . 16627 1 145 . 1 1 20 20 ALA HB2 H 1 1.15 0.010 . 1 . . . . 20 ALA HB . 16627 1 146 . 1 1 20 20 ALA HB3 H 1 1.15 0.010 . 1 . . . . 20 ALA HB . 16627 1 147 . 1 1 20 20 ALA C C 13 177.44 0.040 . 1 . . . . 20 ALA C . 16627 1 148 . 1 1 20 20 ALA CA C 13 52.25 0.040 . 1 . . . . 20 ALA CA . 16627 1 149 . 1 1 20 20 ALA CB C 13 19.00 0.040 . 1 . . . . 20 ALA CB . 16627 1 150 . 1 1 20 20 ALA N N 15 125.30 0.040 . 1 . . . . 20 ALA N . 16627 1 151 . 1 1 21 21 VAL H H 1 7.87 0.010 . 1 . . . . 21 VAL H . 16627 1 152 . 1 1 21 21 VAL HA H 1 3.83 0.010 . 1 . . . . 21 VAL HA . 16627 1 153 . 1 1 21 21 VAL HB H 1 1.82 0.010 . 1 . . . . 21 VAL HB . 16627 1 154 . 1 1 21 21 VAL C C 13 175.78 0.040 . 1 . . . . 21 VAL C . 16627 1 155 . 1 1 21 21 VAL CA C 13 62.31 0.040 . 1 . . . . 21 VAL CA . 16627 1 156 . 1 1 21 21 VAL CB C 13 32.61 0.040 . 1 . . . . 21 VAL CB . 16627 1 157 . 1 1 21 21 VAL N N 15 118.85 0.040 . 1 . . . . 21 VAL N . 16627 1 158 . 1 1 22 22 ASP H H 1 8.26 0.010 . 1 . . . . 22 ASP H . 16627 1 159 . 1 1 22 22 ASP HA H 1 4.49 0.010 . 1 . . . . 22 ASP HA . 16627 1 160 . 1 1 22 22 ASP HB2 H 1 2.62 0.010 . 1 . . . . 22 ASP HB2 . 16627 1 161 . 1 1 22 22 ASP HB3 H 1 2.75 0.010 . 1 . . . . 22 ASP HB3 . 16627 1 162 . 1 1 22 22 ASP C C 13 174.51 0.040 . 1 . . . . 22 ASP C . 16627 1 163 . 1 1 22 22 ASP CA C 13 52.58 0.040 . 1 . . . . 22 ASP CA . 16627 1 164 . 1 1 22 22 ASP CB C 13 37.70 0.040 . 1 . . . . 22 ASP CB . 16627 1 165 . 1 1 22 22 ASP N N 15 121.81 0.040 . 1 . . . . 22 ASP N . 16627 1 166 . 1 1 23 23 ALA H H 1 8.00 0.010 . 1 . . . . 23 ALA H . 16627 1 167 . 1 1 23 23 ALA HA H 1 4.05 0.010 . 1 . . . . 23 ALA HA . 16627 1 168 . 1 1 23 23 ALA HB1 H 1 1.17 0.010 . 1 . . . . 23 ALA HB . 16627 1 169 . 1 1 23 23 ALA HB2 H 1 1.17 0.010 . 1 . . . . 23 ALA HB . 16627 1 170 . 1 1 23 23 ALA HB3 H 1 1.17 0.010 . 1 . . . . 23 ALA HB . 16627 1 171 . 1 1 23 23 ALA C C 13 177.24 0.040 . 1 . . . . 23 ALA C . 16627 1 172 . 1 1 23 23 ALA CA C 13 52.60 0.040 . 1 . . . . 23 ALA CA . 16627 1 173 . 1 1 23 23 ALA CB C 13 19.07 0.040 . 1 . . . . 23 ALA CB . 16627 1 174 . 1 1 23 23 ALA N N 15 124.45 0.040 . 1 . . . . 23 ALA N . 16627 1 175 . 1 1 24 24 ALA H H 1 7.96 0.010 . 1 . . . . 24 ALA H . 16627 1 176 . 1 1 24 24 ALA HA H 1 4.11 0.010 . 1 . . . . 24 ALA HA . 16627 1 177 . 1 1 24 24 ALA HB1 H 1 1.19 0.010 . 1 . . . . 24 ALA HB . 16627 1 178 . 1 1 24 24 ALA HB2 H 1 1.19 0.010 . 1 . . . . 24 ALA HB . 16627 1 179 . 1 1 24 24 ALA HB3 H 1 1.19 0.010 . 1 . . . . 24 ALA HB . 16627 1 180 . 1 1 24 24 ALA C C 13 177.84 0.040 . 1 . . . . 24 ALA C . 16627 1 181 . 1 1 24 24 ALA CA C 13 52.63 0.040 . 1 . . . . 24 ALA CA . 16627 1 182 . 1 1 24 24 ALA CB C 13 18.75 0.040 . 1 . . . . 24 ALA CB . 16627 1 183 . 1 1 24 24 ALA N N 15 122.18 0.040 . 1 . . . . 24 ALA N . 16627 1 184 . 1 1 25 25 THR H H 1 7.71 0.010 . 1 . . . . 25 THR H . 16627 1 185 . 1 1 25 25 THR HA H 1 4.07 0.010 . 1 . . . . 25 THR HA . 16627 1 186 . 1 1 25 25 THR HB H 1 4.00 0.010 . 1 . . . . 25 THR HB . 16627 1 187 . 1 1 25 25 THR C C 13 174.13 0.040 . 1 . . . . 25 THR C . 16627 1 188 . 1 1 25 25 THR CA C 13 61.49 0.040 . 1 . . . . 25 THR CA . 16627 1 189 . 1 1 25 25 THR CB C 13 69.55 0.040 . 1 . . . . 25 THR CB . 16627 1 190 . 1 1 25 25 THR N N 15 111.82 0.040 . 1 . . . . 25 THR N . 16627 1 191 . 1 1 26 26 ALA H H 1 7.92 0.010 . 1 . . . . 26 ALA H . 16627 1 192 . 1 1 26 26 ALA HA H 1 4.10 0.010 . 1 . . . . 26 ALA HA . 16627 1 193 . 1 1 26 26 ALA HB1 H 1 1.17 0.010 . 1 . . . . 26 ALA HB . 16627 1 194 . 1 1 26 26 ALA HB2 H 1 1.17 0.010 . 1 . . . . 26 ALA HB . 16627 1 195 . 1 1 26 26 ALA HB3 H 1 1.17 0.010 . 1 . . . . 26 ALA HB . 16627 1 196 . 1 1 26 26 ALA C C 13 173.65 0.040 . 1 . . . . 26 ALA C . 16627 1 197 . 1 1 26 26 ALA CA C 13 52.27 0.040 . 1 . . . . 26 ALA CA . 16627 1 198 . 1 1 26 26 ALA CB C 13 19.07 0.040 . 1 . . . . 26 ALA CB . 16627 1 199 . 1 1 26 26 ALA N N 15 125.51 0.040 . 1 . . . . 26 ALA N . 16627 1 200 . 1 1 27 27 GLU H H 1 8.00 0.010 . 1 . . . . 27 GLU H . 16627 1 201 . 1 1 27 27 GLU HA H 1 4.09 0.010 . 1 . . . . 27 GLU HA . 16627 1 202 . 1 1 27 27 GLU HB2 H 1 1.75 0.010 . 1 . . . . 27 GLU HB2 . 16627 1 203 . 1 1 27 27 GLU HB3 H 1 1.84 0.010 . 1 . . . . 27 GLU HB3 . 16627 1 204 . 1 1 27 27 GLU C C 13 175.64 0.040 . 1 . . . . 27 GLU C . 16627 1 205 . 1 1 27 27 GLU CA C 13 55.60 0.040 . 1 . . . . 27 GLU CA . 16627 1 206 . 1 1 27 27 GLU CB C 13 28.76 0.040 . 1 . . . . 27 GLU CB . 16627 1 207 . 1 1 27 27 GLU N N 15 119.26 0.040 . 1 . . . . 27 GLU N . 16627 1 208 . 1 1 28 28 LYS H H 1 8.11 0.010 . 1 . . . . 28 LYS H . 16627 1 209 . 1 1 28 28 LYS HA H 1 4.05 0.010 . 1 . . . . 28 LYS HA . 16627 1 210 . 1 1 28 28 LYS HB2 H 1 1.46 0.010 . 2 . . . . 28 LYS HB2 . 16627 1 211 . 1 1 28 28 LYS HB3 H 1 1.46 0.010 . 2 . . . . 28 LYS HB3 . 16627 1 212 . 1 1 28 28 LYS C C 13 175.81 0.040 . 1 . . . . 28 LYS C . 16627 1 213 . 1 1 28 28 LYS CA C 13 56.14 0.040 . 1 . . . . 28 LYS CA . 16627 1 214 . 1 1 28 28 LYS CB C 13 32.91 0.040 . 1 . . . . 28 LYS CB . 16627 1 215 . 1 1 28 28 LYS N N 15 122.78 0.040 . 1 . . . . 28 LYS N . 16627 1 216 . 1 1 29 29 VAL H H 1 7.87 0.010 . 1 . . . . 29 VAL H . 16627 1 217 . 1 1 29 29 VAL HA H 1 3.86 0.010 . 1 . . . . 29 VAL HA . 16627 1 218 . 1 1 29 29 VAL HB H 1 1.73 0.010 . 1 . . . . 29 VAL HB . 16627 1 219 . 1 1 29 29 VAL C C 13 175.38 0.040 . 1 . . . . 29 VAL C . 16627 1 220 . 1 1 29 29 VAL CA C 13 61.83 0.040 . 1 . . . . 29 VAL CA . 16627 1 221 . 1 1 29 29 VAL CB C 13 32.80 0.040 . 1 . . . . 29 VAL CB . 16627 1 222 . 1 1 29 29 VAL N N 15 121.04 0.040 . 1 . . . . 29 VAL N . 16627 1 223 . 1 1 30 30 PHE H H 1 8.19 0.010 . 1 . . . . 30 PHE H . 16627 1 224 . 1 1 30 30 PHE HA H 1 4.41 0.010 . 1 . . . . 30 PHE HA . 16627 1 225 . 1 1 30 30 PHE HB2 H 1 2.73 0.010 . 1 . . . . 30 PHE HB2 . 16627 1 226 . 1 1 30 30 PHE HB3 H 1 2.85 0.010 . 1 . . . . 30 PHE HB3 . 16627 1 227 . 1 1 30 30 PHE C C 13 175.16 0.040 . 1 . . . . 30 PHE C . 16627 1 228 . 1 1 30 30 PHE CA C 13 57.21 0.040 . 1 . . . . 30 PHE CA . 16627 1 229 . 1 1 30 30 PHE CB C 13 39.49 0.040 . 1 . . . . 30 PHE CB . 16627 1 230 . 1 1 30 30 PHE N N 15 124.68 0.040 . 1 . . . . 30 PHE N . 16627 1 231 . 1 1 31 31 LYS H H 1 8.09 0.010 . 1 . . . . 31 LYS H . 16627 1 232 . 1 1 31 31 LYS HA H 1 4.00 0.010 . 1 . . . . 31 LYS HA . 16627 1 233 . 1 1 31 31 LYS HB2 H 1 1.40 0.010 . 2 . . . . 31 LYS HB2 . 16627 1 234 . 1 1 31 31 LYS HB3 H 1 1.40 0.010 . 2 . . . . 31 LYS HB3 . 16627 1 235 . 1 1 31 31 LYS C C 13 175.45 0.040 . 1 . . . . 31 LYS C . 16627 1 236 . 1 1 31 31 LYS CA C 13 55.76 0.040 . 1 . . . . 31 LYS CA . 16627 1 237 . 1 1 31 31 LYS CB C 13 33.18 0.040 . 1 . . . . 31 LYS CB . 16627 1 238 . 1 1 31 31 LYS N N 15 123.71 0.040 . 1 . . . . 31 LYS N . 16627 1 239 . 1 1 32 32 GLN H H 1 8.09 0.010 . 1 . . . . 32 GLN H . 16627 1 240 . 1 1 32 32 GLN HA H 1 3.99 0.010 . 1 . . . . 32 GLN HA . 16627 1 241 . 1 1 32 32 GLN HB2 H 1 1.65 0.010 . 1 . . . . 32 GLN HB2 . 16627 1 242 . 1 1 32 32 GLN HB3 H 1 1.72 0.010 . 1 . . . . 32 GLN HB3 . 16627 1 243 . 1 1 32 32 GLN C C 13 175.25 0.040 . 1 . . . . 32 GLN C . 16627 1 244 . 1 1 32 32 GLN CA C 13 55.65 0.040 . 1 . . . . 32 GLN CA . 16627 1 245 . 1 1 32 32 GLN CB C 13 29.48 0.040 . 1 . . . . 32 GLN CB . 16627 1 246 . 1 1 32 32 GLN N N 15 121.56 0.040 . 1 . . . . 32 GLN N . 16627 1 247 . 1 1 33 33 TYR H H 1 8.04 0.010 . 1 . . . . 33 TYR H . 16627 1 248 . 1 1 33 33 TYR HA H 1 4.34 0.010 . 1 . . . . 33 TYR HA . 16627 1 249 . 1 1 33 33 TYR HB2 H 1 2.65 0.010 . 1 . . . . 33 TYR HB2 . 16627 1 250 . 1 1 33 33 TYR HB3 H 1 2.85 0.010 . 1 . . . . 33 TYR HB3 . 16627 1 251 . 1 1 33 33 TYR C C 13 175.22 0.040 . 1 . . . . 33 TYR C . 16627 1 252 . 1 1 33 33 TYR CA C 13 57.44 0.040 . 1 . . . . 33 TYR CA . 16627 1 253 . 1 1 33 33 TYR CB C 13 38.68 0.040 . 1 . . . . 33 TYR CB . 16627 1 254 . 1 1 33 33 TYR N N 15 121.19 0.040 . 1 . . . . 33 TYR N . 16627 1 255 . 1 1 34 34 ALA H H 1 8.05 0.010 . 1 . . . . 34 ALA H . 16627 1 256 . 1 1 34 34 ALA HA H 1 4.07 0.010 . 1 . . . . 34 ALA HA . 16627 1 257 . 1 1 34 34 ALA HB1 H 1 1.11 0.010 . 1 . . . . 34 ALA HB . 16627 1 258 . 1 1 34 34 ALA HB2 H 1 1.11 0.010 . 1 . . . . 34 ALA HB . 16627 1 259 . 1 1 34 34 ALA HB3 H 1 1.11 0.010 . 1 . . . . 34 ALA HB . 16627 1 260 . 1 1 34 34 ALA C C 13 176.79 0.040 . 1 . . . . 34 ALA C . 16627 1 261 . 1 1 34 34 ALA CA C 13 52.18 0.040 . 1 . . . . 34 ALA CA . 16627 1 262 . 1 1 34 34 ALA CB C 13 19.14 0.040 . 1 . . . . 34 ALA CB . 16627 1 263 . 1 1 34 34 ALA N N 15 124.82 0.040 . 1 . . . . 34 ALA N . 16627 1 264 . 1 1 35 35 ASN H H 1 8.11 0.010 . 1 . . . . 35 ASN H . 16627 1 265 . 1 1 35 35 ASN HA H 1 4.45 0.010 . 1 . . . . 35 ASN HA . 16627 1 266 . 1 1 35 35 ASN HB2 H 1 2.53 0.010 . 1 . . . . 35 ASN HB2 . 16627 1 267 . 1 1 35 35 ASN HB3 H 1 2.61 0.010 . 1 . . . . 35 ASN HB3 . 16627 1 268 . 1 1 35 35 ASN C C 13 174.80 0.040 . 1 . . . . 35 ASN C . 16627 1 269 . 1 1 35 35 ASN CA C 13 52.94 0.040 . 1 . . . . 35 ASN CA . 16627 1 270 . 1 1 35 35 ASN CB C 13 38.56 0.040 . 1 . . . . 35 ASN CB . 16627 1 271 . 1 1 35 35 ASN N N 15 117.40 0.040 . 1 . . . . 35 ASN N . 16627 1 272 . 1 1 36 36 ASP H H 1 8.20 0.010 . 1 . . . . 36 ASP H . 16627 1 273 . 1 1 36 36 ASP HA H 1 4.53 0.010 . 1 . . . . 36 ASP HA . 16627 1 274 . 1 1 36 36 ASP HB2 H 1 2.62 0.010 . 1 . . . . 36 ASP HB2 . 16627 1 275 . 1 1 36 36 ASP HB3 H 1 2.71 0.010 . 1 . . . . 36 ASP HB3 . 16627 1 276 . 1 1 36 36 ASP C C 13 174.63 0.040 . 1 . . . . 36 ASP C . 16627 1 277 . 1 1 36 36 ASP CA C 13 52.63 0.040 . 1 . . . . 36 ASP CA . 16627 1 278 . 1 1 36 36 ASP CB C 13 37.74 0.040 . 1 . . . . 36 ASP CB . 16627 1 279 . 1 1 36 36 ASP N N 15 119.11 0.040 . 1 . . . . 36 ASP N . 16627 1 280 . 1 1 37 37 ASN H H 1 8.18 0.010 . 1 . . . . 37 ASN H . 16627 1 281 . 1 1 37 37 ASN HA H 1 4.48 0.010 . 1 . . . . 37 ASN HA . 16627 1 282 . 1 1 37 37 ASN HB2 H 1 2.55 0.010 . 1 . . . . 37 ASN HB2 . 16627 1 283 . 1 1 37 37 ASN HB3 H 1 2.61 0.010 . 1 . . . . 37 ASN HB3 . 16627 1 284 . 1 1 37 37 ASN C C 13 175.33 0.040 . 1 . . . . 37 ASN C . 16627 1 285 . 1 1 37 37 ASN CA C 13 53.20 0.040 . 1 . . . . 37 ASN CA . 16627 1 286 . 1 1 37 37 ASN CB C 13 38.59 0.040 . 1 . . . . 37 ASN CB . 16627 1 287 . 1 1 37 37 ASN N N 15 118.65 0.040 . 1 . . . . 37 ASN N . 16627 1 288 . 1 1 38 38 GLY H H 1 8.03 0.010 . 1 . . . . 38 GLY H . 16627 1 289 . 1 1 38 38 GLY HA2 H 1 3.70 0.010 . 2 . . . . 38 GLY HA2 . 16627 1 290 . 1 1 38 38 GLY HA3 H 1 3.70 0.010 . 2 . . . . 38 GLY HA3 . 16627 1 291 . 1 1 38 38 GLY C C 13 173.89 0.040 . 1 . . . . 38 GLY C . 16627 1 292 . 1 1 38 38 GLY CA C 13 45.17 0.040 . 1 . . . . 38 GLY CA . 16627 1 293 . 1 1 38 38 GLY N N 15 108.51 0.040 . 1 . . . . 38 GLY N . 16627 1 294 . 1 1 39 39 VAL H H 1 7.67 0.010 . 1 . . . . 39 VAL H . 16627 1 295 . 1 1 39 39 VAL HA H 1 3.87 0.010 . 1 . . . . 39 VAL HA . 16627 1 296 . 1 1 39 39 VAL HB H 1 1.84 0.010 . 1 . . . . 39 VAL HB . 16627 1 297 . 1 1 39 39 VAL C C 13 175.85 0.040 . 1 . . . . 39 VAL C . 16627 1 298 . 1 1 39 39 VAL CA C 13 62.27 0.040 . 1 . . . . 39 VAL CA . 16627 1 299 . 1 1 39 39 VAL CB C 13 32.37 0.040 . 1 . . . . 39 VAL CB . 16627 1 300 . 1 1 39 39 VAL N N 15 118.47 0.040 . 1 . . . . 39 VAL N . 16627 1 301 . 1 1 40 40 ASP H H 1 8.32 0.010 . 1 . . . . 40 ASP H . 16627 1 302 . 1 1 40 40 ASP HA H 1 4.50 0.010 . 1 . . . . 40 ASP HA . 16627 1 303 . 1 1 40 40 ASP HB2 H 1 2.61 0.010 . 1 . . . . 40 ASP HB2 . 16627 1 304 . 1 1 40 40 ASP HB3 H 1 2.74 0.010 . 1 . . . . 40 ASP HB3 . 16627 1 305 . 1 1 40 40 ASP C C 13 175.10 0.040 . 1 . . . . 40 ASP C . 16627 1 306 . 1 1 40 40 ASP CA C 13 52.79 0.040 . 1 . . . . 40 ASP CA . 16627 1 307 . 1 1 40 40 ASP CB C 13 37.94 0.040 . 1 . . . . 40 ASP CB . 16627 1 308 . 1 1 40 40 ASP N N 15 121.56 0.040 . 1 . . . . 40 ASP N . 16627 1 309 . 1 1 41 41 GLY H H 1 7.96 0.010 . 1 . . . . 41 GLY H . 16627 1 310 . 1 1 41 41 GLY HA2 H 1 3.65 0.010 . 2 . . . . 41 GLY HA2 . 16627 1 311 . 1 1 41 41 GLY HA3 H 1 3.60 0.010 . 2 . . . . 41 GLY HA3 . 16627 1 312 . 1 1 41 41 GLY C C 13 173.54 0.040 . 1 . . . . 41 GLY C . 16627 1 313 . 1 1 41 41 GLY CA C 13 45.15 0.040 . 1 . . . . 41 GLY CA . 16627 1 314 . 1 1 41 41 GLY N N 15 108.68 0.040 . 1 . . . . 41 GLY N . 16627 1 315 . 1 1 42 42 GLU H H 1 7.80 0.010 . 1 . . . . 42 GLU H . 16627 1 316 . 1 1 42 42 GLU HA H 1 4.07 0.010 . 1 . . . . 42 GLU HA . 16627 1 317 . 1 1 42 42 GLU HB2 H 1 1.65 0.010 . 1 . . . . 42 GLU HB2 . 16627 1 318 . 1 1 42 42 GLU HB3 H 1 1.70 0.010 . 1 . . . . 42 GLU HB3 . 16627 1 319 . 1 1 42 42 GLU C C 13 175.32 0.040 . 1 . . . . 42 GLU C . 16627 1 320 . 1 1 42 42 GLU CA C 13 55.68 0.040 . 1 . . . . 42 GLU CA . 16627 1 321 . 1 1 42 42 GLU CB C 13 28.63 0.040 . 1 . . . . 42 GLU CB . 16627 1 322 . 1 1 42 42 GLU N N 15 119.26 0.040 . 1 . . . . 42 GLU N . 16627 1 323 . 1 1 43 43 TRP H H 1 7.94 0.010 . 1 . . . . 43 TRP H . 16627 1 324 . 1 1 43 43 TRP HA H 1 4.51 0.010 . 1 . . . . 43 TRP HA . 16627 1 325 . 1 1 43 43 TRP HB2 H 1 2.93 0.010 . 1 . . . . 43 TRP HB2 . 16627 1 326 . 1 1 43 43 TRP HB3 H 1 3.01 0.010 . 1 . . . . 43 TRP HB3 . 16627 1 327 . 1 1 43 43 TRP C C 13 175.90 0.040 . 1 . . . . 43 TRP C . 16627 1 328 . 1 1 43 43 TRP CA C 13 56.92 0.040 . 1 . . . . 43 TRP CA . 16627 1 329 . 1 1 43 43 TRP CB C 13 29.61 0.040 . 1 . . . . 43 TRP CB . 16627 1 330 . 1 1 43 43 TRP N N 15 121.53 0.040 . 1 . . . . 43 TRP N . 16627 1 331 . 1 1 44 44 THR H H 1 7.74 0.010 . 1 . . . . 44 THR H . 16627 1 332 . 1 1 44 44 THR HA H 1 4.05 0.010 . 1 . . . . 44 THR HA . 16627 1 333 . 1 1 44 44 THR HB H 1 3.84 0.010 . 1 . . . . 44 THR HB . 16627 1 334 . 1 1 44 44 THR C C 13 173.65 0.040 . 1 . . . . 44 THR C . 16627 1 335 . 1 1 44 44 THR CA C 13 61.41 0.040 . 1 . . . . 44 THR CA . 16627 1 336 . 1 1 44 44 THR CB C 13 69.86 0.040 . 1 . . . . 44 THR CB . 16627 1 337 . 1 1 44 44 THR N N 15 115.31 0.040 . 1 . . . . 44 THR N . 16627 1 338 . 1 1 45 45 TYR H H 1 7.85 0.010 . 1 . . . . 45 TYR H . 16627 1 339 . 1 1 45 45 TYR HA H 1 4.23 0.010 . 1 . . . . 45 TYR HA . 16627 1 340 . 1 1 45 45 TYR HB2 H 1 2.64 0.010 . 1 . . . . 45 TYR HB2 . 16627 1 341 . 1 1 45 45 TYR HB3 H 1 2.76 0.010 . 1 . . . . 45 TYR HB3 . 16627 1 342 . 1 1 45 45 TYR C C 13 175.20 0.040 . 1 . . . . 45 TYR C . 16627 1 343 . 1 1 45 45 TYR CA C 13 57.87 0.040 . 1 . . . . 45 TYR CA . 16627 1 344 . 1 1 45 45 TYR CB C 13 38.53 0.040 . 1 . . . . 45 TYR CB . 16627 1 345 . 1 1 45 45 TYR N N 15 121.94 0.040 . 1 . . . . 45 TYR N . 16627 1 346 . 1 1 46 46 ASP H H 1 8.14 0.010 . 1 . . . . 46 ASP H . 16627 1 347 . 1 1 46 46 ASP HA H 1 4.44 0.010 . 1 . . . . 46 ASP HA . 16627 1 348 . 1 1 46 46 ASP HB2 H 1 2.54 0.010 . 1 . . . . 46 ASP HB2 . 16627 1 349 . 1 1 46 46 ASP HB3 H 1 2.70 0.010 . 1 . . . . 46 ASP HB3 . 16627 1 350 . 1 1 46 46 ASP C C 13 174.41 0.040 . 1 . . . . 46 ASP C . 16627 1 351 . 1 1 46 46 ASP CA C 13 52.58 0.040 . 1 . . . . 46 ASP CA . 16627 1 352 . 1 1 46 46 ASP CB C 13 37.83 0.040 . 1 . . . . 46 ASP CB . 16627 1 353 . 1 1 46 46 ASP N N 15 120.35 0.040 . 1 . . . . 46 ASP N . 16627 1 354 . 1 1 47 47 ASP H H 1 8.10 0.010 . 1 . . . . 47 ASP H . 16627 1 355 . 1 1 47 47 ASP HA H 1 4.42 0.010 . 1 . . . . 47 ASP HA . 16627 1 356 . 1 1 47 47 ASP HB2 H 1 2.59 0.010 . 1 . . . . 47 ASP HB2 . 16627 1 357 . 1 1 47 47 ASP HB3 H 1 2.67 0.010 . 1 . . . . 47 ASP HB3 . 16627 1 358 . 1 1 47 47 ASP C C 13 174.52 0.040 . 1 . . . . 47 ASP C . 16627 1 359 . 1 1 47 47 ASP CA C 13 52.78 0.040 . 1 . . . . 47 ASP CA . 16627 1 360 . 1 1 47 47 ASP CB C 13 37.73 0.040 . 1 . . . . 47 ASP CB . 16627 1 361 . 1 1 47 47 ASP N N 15 119.78 0.040 . 1 . . . . 47 ASP N . 16627 1 362 . 1 1 48 48 ALA H H 1 7.87 0.010 . 1 . . . . 48 ALA H . 16627 1 363 . 1 1 48 48 ALA HA H 1 4.12 0.010 . 1 . . . . 48 ALA HA . 16627 1 364 . 1 1 48 48 ALA HB1 H 1 1.18 0.010 . 1 . . . . 48 ALA HB . 16627 1 365 . 1 1 48 48 ALA HB2 H 1 1.18 0.010 . 1 . . . . 48 ALA HB . 16627 1 366 . 1 1 48 48 ALA HB3 H 1 1.18 0.010 . 1 . . . . 48 ALA HB . 16627 1 367 . 1 1 48 48 ALA C C 13 177.53 0.040 . 1 . . . . 48 ALA C . 16627 1 368 . 1 1 48 48 ALA CA C 13 52.64 0.040 . 1 . . . . 48 ALA CA . 16627 1 369 . 1 1 48 48 ALA CB C 13 19.05 0.040 . 1 . . . . 48 ALA CB . 16627 1 370 . 1 1 48 48 ALA N N 15 123.40 0.040 . 1 . . . . 48 ALA N . 16627 1 371 . 1 1 49 49 THR H H 1 7.73 0.010 . 1 . . . . 49 THR H . 16627 1 372 . 1 1 49 49 THR HA H 1 4.07 0.010 . 1 . . . . 49 THR HA . 16627 1 373 . 1 1 49 49 THR HB H 1 3.98 0.010 . 1 . . . . 49 THR HB . 16627 1 374 . 1 1 49 49 THR C C 13 174.23 0.040 . 1 . . . . 49 THR C . 16627 1 375 . 1 1 49 49 THR CA C 13 61.57 0.040 . 1 . . . . 49 THR CA . 16627 1 376 . 1 1 49 49 THR CB C 13 69.48 0.040 . 1 . . . . 49 THR CB . 16627 1 377 . 1 1 49 49 THR N N 15 112.36 0.040 . 1 . . . . 49 THR N . 16627 1 378 . 1 1 50 50 LYS H H 1 8.04 0.010 . 1 . . . . 50 LYS H . 16627 1 379 . 1 1 50 50 LYS HA H 1 4.10 0.010 . 1 . . . . 50 LYS HA . 16627 1 380 . 1 1 50 50 LYS HB2 H 1 1.49 0.010 . 2 . . . . 50 LYS HB2 . 16627 1 381 . 1 1 50 50 LYS HB3 H 1 1.49 0.010 . 2 . . . . 50 LYS HB3 . 16627 1 382 . 1 1 50 50 LYS C C 13 176.01 0.040 . 1 . . . . 50 LYS C . 16627 1 383 . 1 1 50 50 LYS CA C 13 56.13 0.040 . 1 . . . . 50 LYS CA . 16627 1 384 . 1 1 50 50 LYS CB C 13 32.82 0.040 . 1 . . . . 50 LYS CB . 16627 1 385 . 1 1 50 50 LYS N N 15 123.29 0.040 . 1 . . . . 50 LYS N . 16627 1 386 . 1 1 51 51 THR H H 1 7.86 0.010 . 1 . . . . 51 THR H . 16627 1 387 . 1 1 51 51 THR HA H 1 4.11 0.010 . 1 . . . . 51 THR HA . 16627 1 388 . 1 1 51 51 THR HB H 1 3.89 0.010 . 1 . . . . 51 THR HB . 16627 1 389 . 1 1 51 51 THR C C 13 173.66 0.040 . 1 . . . . 51 THR C . 16627 1 390 . 1 1 51 51 THR CA C 13 61.34 0.040 . 1 . . . . 51 THR CA . 16627 1 391 . 1 1 51 51 THR CB C 13 69.86 0.040 . 1 . . . . 51 THR CB . 16627 1 392 . 1 1 51 51 THR N N 15 114.83 0.040 . 1 . . . . 51 THR N . 16627 1 393 . 1 1 52 52 PHE H H 1 8.13 0.010 . 1 . . . . 52 PHE H . 16627 1 394 . 1 1 52 52 PHE HA H 1 4.52 0.010 . 1 . . . . 52 PHE HA . 16627 1 395 . 1 1 52 52 PHE HB2 H 1 2.76 0.010 . 1 . . . . 52 PHE HB2 . 16627 1 396 . 1 1 52 52 PHE HB3 H 1 2.90 0.010 . 1 . . . . 52 PHE HB3 . 16627 1 397 . 1 1 52 52 PHE C C 13 175.26 0.040 . 1 . . . . 52 PHE C . 16627 1 398 . 1 1 52 52 PHE CA C 13 57.40 0.040 . 1 . . . . 52 PHE CA . 16627 1 399 . 1 1 52 52 PHE CB C 13 39.79 0.040 . 1 . . . . 52 PHE CB . 16627 1 400 . 1 1 52 52 PHE N N 15 122.30 0.040 . 1 . . . . 52 PHE N . 16627 1 401 . 1 1 53 53 THR H H 1 8.01 0.010 . 1 . . . . 53 THR H . 16627 1 402 . 1 1 53 53 THR HA H 1 4.16 0.010 . 1 . . . . 53 THR HA . 16627 1 403 . 1 1 53 53 THR HB H 1 3.89 0.010 . 1 . . . . 53 THR HB . 16627 1 404 . 1 1 53 53 THR C C 13 173.74 0.040 . 1 . . . . 53 THR C . 16627 1 405 . 1 1 53 53 THR CA C 13 61.41 0.040 . 1 . . . . 53 THR CA . 16627 1 406 . 1 1 53 53 THR CB C 13 69.88 0.040 . 1 . . . . 53 THR CB . 16627 1 407 . 1 1 53 53 THR N N 15 116.67 0.040 . 1 . . . . 53 THR N . 16627 1 408 . 1 1 54 54 VAL H H 1 8.03 0.010 . 1 . . . . 54 VAL H . 16627 1 409 . 1 1 54 54 VAL HA H 1 3.97 0.010 . 1 . . . . 54 VAL HA . 16627 1 410 . 1 1 54 54 VAL HB H 1 1.83 0.010 . 1 . . . . 54 VAL HB . 16627 1 411 . 1 1 54 54 VAL C C 13 175.78 0.040 . 1 . . . . 54 VAL C . 16627 1 412 . 1 1 54 54 VAL CA C 13 61.91 0.040 . 1 . . . . 54 VAL CA . 16627 1 413 . 1 1 54 54 VAL CB C 13 32.76 0.040 . 1 . . . . 54 VAL CB . 16627 1 414 . 1 1 54 54 VAL N N 15 122.54 0.040 . 1 . . . . 54 VAL N . 16627 1 415 . 1 1 55 55 THR H H 1 8.05 0.010 . 1 . . . . 55 THR H . 16627 1 416 . 1 1 55 55 THR HA H 1 4.13 0.010 . 1 . . . . 55 THR HA . 16627 1 417 . 1 1 55 55 THR HB H 1 3.95 0.010 . 1 . . . . 55 THR HB . 16627 1 418 . 1 1 55 55 THR C C 13 174.07 0.040 . 1 . . . . 55 THR C . 16627 1 419 . 1 1 55 55 THR CA C 13 61.53 0.040 . 1 . . . . 55 THR CA . 16627 1 420 . 1 1 55 55 THR CB C 13 69.74 0.040 . 1 . . . . 55 THR CB . 16627 1 421 . 1 1 55 55 THR N N 15 118.26 0.040 . 1 . . . . 55 THR N . 16627 1 422 . 1 1 56 56 GLU H H 1 8.18 0.010 . 1 . . . . 56 GLU H . 16627 1 423 . 1 1 56 56 GLU HA H 1 4.21 0.010 . 1 . . . . 56 GLU HA . 16627 1 424 . 1 1 56 56 GLU HB2 H 1 1.753 0.010 . 1 . . . . 56 GLU HB2 . 16627 1 425 . 1 1 56 56 GLU HB3 H 1 1.963 0.010 . 1 . . . . 56 GLU HB3 . 16627 1 426 . 1 1 56 56 GLU N N 15 123.08 0.040 . 1 . . . . 56 GLU N . 16627 1 stop_ save_