################################### # 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 16626 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.04 _Assigned_chem_shift_list.Chem_shift_15N_err 0.04 _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 of methylene protons 3D HN(CO)HB and HAHB(CACO)NH experiments were also acquired.' _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' . . . 16626 1 2 '3D HBHA(CO)NH' . . . 16626 1 3 '3D HNCO' . . . 16626 1 4 '3D HNHB' . . . 16626 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 3.89 0.010 . 1 . . . . 1 MET HA . 16626 1 2 . 1 1 1 1 MET HB2 H 1 1.89 0.010 . 2 . . . . 1 MET HB2 . 16626 1 3 . 1 1 1 1 MET HB3 H 1 1.89 0.010 . 2 . . . . 1 MET HB3 . 16626 1 4 . 1 1 1 1 MET C C 13 171.71 0.040 . 1 . . . . 1 MET C . 16626 1 5 . 1 1 1 1 MET CA C 13 54.78 0.040 . 1 . . . . 1 MET CA . 16626 1 6 . 1 1 1 1 MET CB C 13 32.70 0.040 . 1 . . . . 1 MET CB . 16626 1 7 . 1 1 2 2 GLN H H 1 8.68 0.010 . 1 . . . . 2 GLN H . 16626 1 8 . 1 1 2 2 GLN HA H 1 4.22 0.010 . 1 . . . . 2 GLN HA . 16626 1 9 . 1 1 2 2 GLN HB2 H 1 1.70 0.010 . 2 . . . . 2 GLN HB2 . 16626 1 10 . 1 1 2 2 GLN C C 13 174.81 0.040 . 1 . . . . 2 GLN C . 16626 1 11 . 1 1 2 2 GLN CA C 13 55.49 0.040 . 1 . . . . 2 GLN CA . 16626 1 12 . 1 1 2 2 GLN CB C 13 29.77 0.040 . 1 . . . . 2 GLN CB . 16626 1 13 . 1 1 2 2 GLN N N 15 124.07 0.040 . 1 . . . . 2 GLN N . 16626 1 14 . 1 1 3 3 ILE H H 1 8.13 0.010 . 1 . . . . 3 ILE H . 16626 1 15 . 1 1 3 3 ILE HA H 1 3.94 0.010 . 1 . . . . 3 ILE HA . 16626 1 16 . 1 1 3 3 ILE HB H 1 1.51 0.010 . 1 . . . . 3 ILE HB . 16626 1 17 . 1 1 3 3 ILE C C 13 174.73 0.040 . 1 . . . . 3 ILE C . 16626 1 18 . 1 1 3 3 ILE CA C 13 60.21 0.040 . 1 . . . . 3 ILE CA . 16626 1 19 . 1 1 3 3 ILE CB C 13 38.93 0.040 . 1 . . . . 3 ILE CB . 16626 1 20 . 1 1 3 3 ILE N N 15 122.58 0.040 . 1 . . . . 3 ILE N . 16626 1 21 . 1 1 4 4 PHE H H 1 8.26 0.010 . 1 . . . . 4 PHE H . 16626 1 22 . 1 1 4 4 PHE HA H 1 4.57 0.010 . 1 . . . . 4 PHE HA . 16626 1 23 . 1 1 4 4 PHE HB2 H 1 2.71 0.010 . 1 . . . . 4 PHE HB2 . 16626 1 24 . 1 1 4 4 PHE HB3 H 1 2.82 0.010 . 1 . . . . 4 PHE HB3 . 16626 1 25 . 1 1 4 4 PHE C C 13 174.22 0.040 . 1 . . . . 4 PHE C . 16626 1 26 . 1 1 4 4 PHE CA C 13 56.81 0.040 . 1 . . . . 4 PHE CA . 16626 1 27 . 1 1 4 4 PHE CB C 13 39.58 0.040 . 1 . . . . 4 PHE CB . 16626 1 28 . 1 1 4 4 PHE N N 15 124.68 0.040 . 1 . . . . 4 PHE N . 16626 1 29 . 1 1 5 5 VAL H H 1 8.12 0.010 . 1 . . . . 5 VAL H . 16626 1 30 . 1 1 5 5 VAL HA H 1 3.91 0.010 . 1 . . . . 5 VAL HA . 16626 1 31 . 1 1 5 5 VAL HB H 1 1.75 0.010 . 1 . . . . 5 VAL HB . 16626 1 32 . 1 1 5 5 VAL C C 13 174.81 0.040 . 1 . . . . 5 VAL C . 16626 1 33 . 1 1 5 5 VAL CA C 13 61.42 0.040 . 1 . . . . 5 VAL CA . 16626 1 34 . 1 1 5 5 VAL CB C 13 33.02 0.040 . 1 . . . . 5 VAL CB . 16626 1 35 . 1 1 5 5 VAL N N 15 122.59 0.040 . 1 . . . . 5 VAL N . 16626 1 36 . 1 1 6 6 LYS H H 1 8.22 0.010 . 1 . . . . 6 LYS H . 16626 1 37 . 1 1 6 6 LYS HA H 1 4.20 0.010 . 1 . . . . 6 LYS HA . 16626 1 38 . 1 1 6 6 LYS HB2 H 1 1.49 0.010 . 1 . . . . 6 LYS HB2 . 16626 1 39 . 1 1 6 6 LYS HB3 H 1 1.58 0.010 . 1 . . . . 6 LYS HB3 . 16626 1 40 . 1 1 6 6 LYS C C 13 176.04 0.040 . 1 . . . . 6 LYS C . 16626 1 41 . 1 1 6 6 LYS CA C 13 55.91 0.040 . 1 . . . . 6 LYS CA . 16626 1 42 . 1 1 6 6 LYS CB C 13 33.07 0.040 . 1 . . . . 6 LYS CB . 16626 1 43 . 1 1 6 6 LYS N N 15 125.26 0.040 . 1 . . . . 6 LYS N . 16626 1 44 . 1 1 7 7 THR H H 1 8.12 0.010 . 1 . . . . 7 THR H . 16626 1 45 . 1 1 7 7 THR HA H 1 4.16 0.010 . 1 . . . . 7 THR HA . 16626 1 46 . 1 1 7 7 THR HB H 1 4.01 0.010 . 1 . . . . 7 THR HB . 16626 1 47 . 1 1 7 7 THR C C 13 174.12 0.040 . 1 . . . . 7 THR C . 16626 1 48 . 1 1 7 7 THR CA C 13 61.22 0.040 . 1 . . . . 7 THR CA . 16626 1 49 . 1 1 7 7 THR CB C 13 69.78 0.040 . 1 . . . . 7 THR CB . 16626 1 50 . 1 1 7 7 THR N N 15 116.08 0.040 . 1 . . . . 7 THR N . 16626 1 51 . 1 1 8 8 LEU H H 1 8.28 0.010 . 1 . . . . 8 LEU H . 16626 1 52 . 1 1 8 8 LEU HA H 1 4.20 0.010 . 1 . . . . 8 LEU HA . 16626 1 53 . 1 1 8 8 LEU HB2 H 1 1.43 0.010 . 1 . . . . 8 LEU HB2 . 16626 1 54 . 1 1 8 8 LEU HB3 H 1 1.39 0.010 . 1 . . . . 8 LEU HB3 . 16626 1 55 . 1 1 8 8 LEU C C 13 176.87 0.040 . 1 . . . . 8 LEU C . 16626 1 56 . 1 1 8 8 LEU CA C 13 55.14 0.040 . 1 . . . . 8 LEU CA . 16626 1 57 . 1 1 8 8 LEU CB C 13 42.00 0.040 . 1 . . . . 8 LEU CB . 16626 1 58 . 1 1 8 8 LEU N N 15 124.35 0.040 . 1 . . . . 8 LEU N . 16626 1 59 . 1 1 9 9 THR H H 1 7.87 0.010 . 1 . . . . 9 THR H . 16626 1 60 . 1 1 9 9 THR HA H 1 4.14 0.010 . 1 . . . . 9 THR HA . 16626 1 61 . 1 1 9 9 THR HB H 1 4.04 0.010 . 1 . . . . 9 THR HB . 16626 1 62 . 1 1 9 9 THR C C 13 174.45 0.040 . 1 . . . . 9 THR C . 16626 1 63 . 1 1 9 9 THR CA C 13 61.27 0.040 . 1 . . . . 9 THR CA . 16626 1 64 . 1 1 9 9 THR CB C 13 69.65 0.040 . 1 . . . . 9 THR CB . 16626 1 65 . 1 1 9 9 THR N N 15 112.78 0.040 . 1 . . . . 9 THR N . 16626 1 66 . 1 1 10 10 GLY H H 1 8.09 0.010 . 1 . . . . 10 GLY H . 16626 1 67 . 1 1 10 10 GLY HA2 H 1 3.71 0.010 . 2 . . . . 10 GLY HA2 . 16626 1 68 . 1 1 10 10 GLY HA3 H 1 3.79 0.010 . 2 . . . . 10 GLY HA3 . 16626 1 69 . 1 1 10 10 GLY C C 13 173.19 0.040 . 1 . . . . 10 GLY C . 16626 1 70 . 1 1 10 10 GLY CA C 13 44.97 0.040 . 1 . . . . 10 GLY CA . 16626 1 71 . 1 1 10 10 GLY N N 15 110.44 0.040 . 1 . . . . 10 GLY N . 16626 1 72 . 1 1 11 11 LYS H H 1 7.88 0.010 . 1 . . . . 11 LYS H . 16626 1 73 . 1 1 11 11 LYS HA H 1 4.17 0.010 . 1 . . . . 11 LYS HA . 16626 1 74 . 1 1 11 11 LYS HB2 H 1 1.49 0.010 . 1 . . . . 11 LYS HB2 . 16626 1 75 . 1 1 11 11 LYS HB3 H 1 1.58 0.010 . 1 . . . . 11 LYS HB3 . 16626 1 76 . 1 1 11 11 LYS C C 13 176.01 0.040 . 1 . . . . 11 LYS C . 16626 1 77 . 1 1 11 11 LYS CA C 13 55.89 0.040 . 1 . . . . 11 LYS CA . 16626 1 78 . 1 1 11 11 LYS CB C 13 33.17 0.040 . 1 . . . . 11 LYS CB . 16626 1 79 . 1 1 11 11 LYS N N 15 120.56 0.040 . 1 . . . . 11 LYS N . 16626 1 80 . 1 1 12 12 THR H H 1 8.15 0.010 . 1 . . . . 12 THR H . 16626 1 81 . 1 1 12 12 THR HA H 1 4.21 0.010 . 1 . . . . 12 THR HA . 16626 1 82 . 1 1 12 12 THR HB H 1 3.89 0.010 . 1 . . . . 12 THR HB . 16626 1 83 . 1 1 12 12 THR C C 13 173.76 0.040 . 1 . . . . 12 THR C . 16626 1 84 . 1 1 12 12 THR CA C 13 61.69 0.040 . 1 . . . . 12 THR CA . 16626 1 85 . 1 1 12 12 THR CB C 13 69.60 0.040 . 1 . . . . 12 THR CB . 16626 1 86 . 1 1 12 12 THR N N 15 116.78 0.040 . 1 . . . . 12 THR N . 16626 1 87 . 1 1 13 13 ILE H H 1 8.21 0.010 . 1 . . . . 13 ILE H . 16626 1 88 . 1 1 13 13 ILE HA H 1 4.08 0.010 . 1 . . . . 13 ILE HA . 16626 1 89 . 1 1 13 13 ILE HB H 1 1.62 0.010 . 1 . . . . 13 ILE HB . 16626 1 90 . 1 1 13 13 ILE C C 13 175.24 0.040 . 1 . . . . 13 ILE C . 16626 1 91 . 1 1 13 13 ILE CA C 13 60.44 0.040 . 1 . . . . 13 ILE CA . 16626 1 92 . 1 1 13 13 ILE CB C 13 39.01 0.040 . 1 . . . . 13 ILE CB . 16626 1 93 . 1 1 13 13 ILE N N 15 123.65 0.040 . 1 . . . . 13 ILE N . 16626 1 94 . 1 1 14 14 THR H H 1 8.09 0.010 . 1 . . . . 14 THR H . 16626 1 95 . 1 1 14 14 THR HA H 1 4.20 0.010 . 1 . . . . 14 THR HA . 16626 1 96 . 1 1 14 14 THR HB H 1 3.87 0.010 . 1 . . . . 14 THR HB . 16626 1 97 . 1 1 14 14 THR C C 13 173.49 0.040 . 1 . . . . 14 THR C . 16626 1 98 . 1 1 14 14 THR CA C 13 61.23 0.040 . 1 . . . . 14 THR CA . 16626 1 99 . 1 1 14 14 THR CB C 13 69.60 0.040 . 1 . . . . 14 THR CB . 16626 1 100 . 1 1 14 14 THR N N 15 118.82 0.040 . 1 . . . . 14 THR N . 16626 1 101 . 1 1 15 15 LEU H H 1 8.16 0.010 . 1 . . . . 15 LEU H . 16626 1 102 . 1 1 15 15 LEU HA H 1 4.17 0.010 . 1 . . . . 15 LEU HA . 16626 1 103 . 1 1 15 15 LEU HB2 H 1 1.30 0.010 . 2 . . . . 15 LEU HB2 . 16626 1 104 . 1 1 15 15 LEU HB3 H 1 1.30 0.010 . 2 . . . . 15 LEU HB3 . 16626 1 105 . 1 1 15 15 LEU C C 13 176.12 0.040 . 1 . . . . 15 LEU C . 16626 1 106 . 1 1 15 15 LEU CA C 13 54.41 0.040 . 1 . . . . 15 LEU CA . 16626 1 107 . 1 1 15 15 LEU CB C 13 42.58 0.040 . 1 . . . . 15 LEU CB . 16626 1 108 . 1 1 15 15 LEU N N 15 125.29 0.040 . 1 . . . . 15 LEU N . 16626 1 109 . 1 1 16 16 GLU H H 1 8.23 0.010 . 1 . . . . 16 GLU H . 16626 1 110 . 1 1 16 16 GLU HA H 1 4.22 0.010 . 1 . . . . 16 GLU HA . 16626 1 111 . 1 1 16 16 GLU HB2 H 1 1.72 0.010 . 1 . . . . 16 GLU HB2 . 16626 1 112 . 1 1 16 16 GLU HB3 H 1 1.82 0.010 . 1 . . . . 16 GLU HB3 . 16626 1 113 . 1 1 16 16 GLU C C 13 175.09 0.040 . 1 . . . . 16 GLU C . 16626 1 114 . 1 1 16 16 GLU CA C 13 55.11 0.040 . 1 . . . . 16 GLU CA . 16626 1 115 . 1 1 16 16 GLU CB C 13 28.62 0.040 . 1 . . . . 16 GLU CB . 16626 1 116 . 1 1 16 16 GLU N N 15 121.67 0.040 . 1 . . . . 16 GLU N . 16626 1 117 . 1 1 17 17 VAL H H 1 8.03 0.010 . 1 . . . . 17 VAL H . 16626 1 118 . 1 1 17 17 VAL HA H 1 3.91 0.010 . 1 . . . . 17 VAL HA . 16626 1 119 . 1 1 17 17 VAL HB H 1 1.78 0.010 . 1 . . . . 17 VAL HB . 16626 1 120 . 1 1 17 17 VAL C C 13 175.19 0.040 . 1 . . . . 17 VAL C . 16626 1 121 . 1 1 17 17 VAL CA C 13 61.63 0.040 . 1 . . . . 17 VAL CA . 16626 1 122 . 1 1 17 17 VAL CB C 13 32.65 0.040 . 1 . . . . 17 VAL CB . 16626 1 123 . 1 1 17 17 VAL N N 15 121.64 0.040 . 1 . . . . 17 VAL N . 16626 1 124 . 1 1 18 18 GLU H H 1 8.23 0.010 . 1 . . . . 18 GLU H . 16626 1 125 . 1 1 18 18 GLU N N 15 124.61 0.040 . 1 . . . . 18 GLU N . 16626 1 126 . 1 1 19 19 PRO HA H 1 4.22 0.010 . 1 . . . . 19 PRO HA . 16626 1 127 . 1 1 19 19 PRO HB2 H 1 1.71 0.010 . 2 . . . . 19 PRO HB2 . 16626 1 128 . 1 1 19 19 PRO HB3 H 1 2.08 0.010 . 2 . . . . 19 PRO HB3 . 16626 1 129 . 1 1 19 19 PRO C C 13 176.20 0.040 . 1 . . . . 19 PRO C . 16626 1 130 . 1 1 19 19 PRO CA C 13 62.84 0.040 . 1 . . . . 19 PRO CA . 16626 1 131 . 1 1 19 19 PRO CB C 13 31.85 0.040 . 1 . . . . 19 PRO CB . 16626 1 132 . 1 1 20 20 SER H H 1 8.20 0.010 . 1 . . . . 20 SER H . 16626 1 133 . 1 1 20 20 SER HA H 1 4.20 0.010 . 1 . . . . 20 SER HA . 16626 1 134 . 1 1 20 20 SER HB2 H 1 3.62 0.010 . 1 . . . . 20 SER HB2 . 16626 1 135 . 1 1 20 20 SER HB3 H 1 3.68 0.010 . 1 . . . . 20 SER HB3 . 16626 1 136 . 1 1 20 20 SER C C 13 173.98 0.040 . 1 . . . . 20 SER C . 16626 1 137 . 1 1 20 20 SER CA C 13 58.05 0.040 . 1 . . . . 20 SER CA . 16626 1 138 . 1 1 20 20 SER CB C 13 63.58 0.040 . 1 . . . . 20 SER CB . 16626 1 139 . 1 1 20 20 SER N N 15 115.46 0.040 . 1 . . . . 20 SER N . 16626 1 140 . 1 1 21 21 ASP H H 1 8.30 0.010 . 1 . . . . 21 ASP H . 16626 1 141 . 1 1 21 21 ASP HA H 1 4.58 0.010 . 1 . . . . 21 ASP HA . 16626 1 142 . 1 1 21 21 ASP HB2 H 1 2.68 0.010 . 1 . . . . 21 ASP HB2 . 16626 1 143 . 1 1 21 21 ASP HB3 H 1 2.73 0.010 . 1 . . . . 21 ASP HB3 . 16626 1 144 . 1 1 21 21 ASP C C 13 174.57 0.040 . 1 . . . . 21 ASP C . 16626 1 145 . 1 1 21 21 ASP CA C 13 52.60 0.040 . 1 . . . . 21 ASP CA . 16626 1 146 . 1 1 21 21 ASP CB C 13 37.85 0.040 . 1 . . . . 21 ASP CB . 16626 1 147 . 1 1 21 21 ASP N N 15 120.63 0.040 . 1 . . . . 21 ASP N . 16626 1 148 . 1 1 22 22 THR H H 1 7.89 0.010 . 1 . . . . 22 THR H . 16626 1 149 . 1 1 22 22 THR HA H 1 4.11 0.010 . 1 . . . . 22 THR HA . 16626 1 150 . 1 1 22 22 THR HB H 1 3.96 0.010 . 1 . . . . 22 THR HB . 16626 1 151 . 1 1 22 22 THR C C 13 173.80 0.040 . 1 . . . . 22 THR C . 16626 1 152 . 1 1 22 22 THR CA C 13 61.67 0.040 . 1 . . . . 22 THR CA . 16626 1 153 . 1 1 22 22 THR CB C 13 69.59 0.040 . 1 . . . . 22 THR CB . 16626 1 154 . 1 1 22 22 THR N N 15 114.21 0.040 . 1 . . . . 22 THR N . 16626 1 155 . 1 1 23 23 ILE H H 1 7.91 0.010 . 1 . . . . 23 ILE H . 16626 1 156 . 1 1 23 23 ILE HA H 1 3.92 0.010 . 1 . . . . 23 ILE HA . 16626 1 157 . 1 1 23 23 ILE HB H 1 1.60 0.010 . 1 . . . . 23 ILE HB . 16626 1 158 . 1 1 23 23 ILE C C 13 175.40 0.040 . 1 . . . . 23 ILE C . 16626 1 159 . 1 1 23 23 ILE CA C 13 60.78 0.040 . 1 . . . . 23 ILE CA . 16626 1 160 . 1 1 23 23 ILE CB C 13 38.29 0.040 . 1 . . . . 23 ILE CB . 16626 1 161 . 1 1 23 23 ILE N N 15 122.88 0.040 . 1 . . . . 23 ILE N . 16626 1 162 . 1 1 24 24 GLU H H 1 8.16 0.010 . 1 . . . . 24 GLU H . 16626 1 163 . 1 1 24 24 GLU HA H 1 4.15 0.010 . 1 . . . . 24 GLU HA . 16626 1 164 . 1 1 24 24 GLU HB2 H 1 1.71 0.010 . 1 . . . . 24 GLU HB2 . 16626 1 165 . 1 1 24 24 GLU HB3 H 1 1.83 0.010 . 1 . . . . 24 GLU HB3 . 16626 1 166 . 1 1 24 24 GLU C C 13 174.94 0.040 . 1 . . . . 24 GLU C . 16626 1 167 . 1 1 24 24 GLU CA C 13 55.20 0.040 . 1 . . . . 24 GLU CA . 16626 1 168 . 1 1 24 24 GLU CB C 13 28.71 0.040 . 1 . . . . 24 GLU CB . 16626 1 169 . 1 1 24 24 GLU N N 15 123.82 0.040 . 1 . . . . 24 GLU N . 16626 1 170 . 1 1 25 25 ASN H H 1 8.27 0.010 . 1 . . . . 25 ASN H . 16626 1 171 . 1 1 25 25 ASN HA H 1 4.50 0.010 . 1 . . . . 25 ASN HA . 16626 1 172 . 1 1 25 25 ASN HB2 H 1 2.50 0.010 . 2 . . . . 25 ASN HB2 . 16626 1 173 . 1 1 25 25 ASN HB3 H 1 2.60 0.010 . 2 . . . . 25 ASN HB3 . 16626 1 174 . 1 1 25 25 ASN C C 13 174.49 0.040 . 1 . . . . 25 ASN C . 16626 1 175 . 1 1 25 25 ASN CA C 13 52.80 0.040 . 1 . . . . 25 ASN CA . 16626 1 176 . 1 1 25 25 ASN CB C 13 38.54 0.040 . 1 . . . . 25 ASN CB . 16626 1 177 . 1 1 25 25 ASN N N 15 120.44 0.040 . 1 . . . . 25 ASN N . 16626 1 178 . 1 1 26 26 VAL H H 1 7.88 0.010 . 1 . . . . 26 VAL H . 16626 1 179 . 1 1 26 26 VAL HA H 1 3.86 0.010 . 1 . . . . 26 VAL HA . 16626 1 180 . 1 1 26 26 VAL HB H 1 1.83 0.010 . 1 . . . . 26 VAL HB . 16626 1 181 . 1 1 26 26 VAL C C 13 175.41 0.040 . 1 . . . . 26 VAL C . 16626 1 182 . 1 1 26 26 VAL CA C 13 62.02 0.040 . 1 . . . . 26 VAL CA . 16626 1 183 . 1 1 26 26 VAL CB C 13 32.51 0.040 . 1 . . . . 26 VAL CB . 16626 1 184 . 1 1 26 26 VAL N N 15 120.22 0.040 . 1 . . . . 26 VAL N . 16626 1 185 . 1 1 27 27 LYS H H 1 8.13 0.010 . 1 . . . . 27 LYS H . 16626 1 186 . 1 1 27 27 LYS HA H 1 4.06 0.010 . 1 . . . . 27 LYS HA . 16626 1 187 . 1 1 27 27 LYS HB2 H 1 1.50 0.010 . 1 . . . . 27 LYS HB2 . 16626 1 188 . 1 1 27 27 LYS HB3 H 1 1.59 0.010 . 1 . . . . 27 LYS HB3 . 16626 1 189 . 1 1 27 27 LYS C C 13 175.62 0.040 . 1 . . . . 27 LYS C . 16626 1 190 . 1 1 27 27 LYS CA C 13 55.92 0.040 . 1 . . . . 27 LYS CA . 16626 1 191 . 1 1 27 27 LYS CB C 13 32.68 0.040 . 1 . . . . 27 LYS CB . 16626 1 192 . 1 1 27 27 LYS N N 15 124.58 0.040 . 1 . . . . 27 LYS N . 16626 1 193 . 1 1 28 28 ALA H H 1 8.00 0.010 . 1 . . . . 28 ALA H . 16626 1 194 . 1 1 28 28 ALA HA H 1 4.04 0.010 . 1 . . . . 28 ALA HA . 16626 1 195 . 1 1 28 28 ALA HB1 H 1 1.13 0.010 . 1 . . . . 28 ALA HB . 16626 1 196 . 1 1 28 28 ALA HB2 H 1 1.13 0.010 . 1 . . . . 28 ALA HB . 16626 1 197 . 1 1 28 28 ALA HB3 H 1 1.13 0.010 . 1 . . . . 28 ALA HB . 16626 1 198 . 1 1 28 28 ALA C C 13 176.91 0.040 . 1 . . . . 28 ALA C . 16626 1 199 . 1 1 28 28 ALA CA C 13 51.99 0.040 . 1 . . . . 28 ALA CA . 16626 1 200 . 1 1 28 28 ALA CB C 13 19.05 0.040 . 1 . . . . 28 ALA CB . 16626 1 201 . 1 1 28 28 ALA N N 15 125.12 0.040 . 1 . . . . 28 ALA N . 16626 1 202 . 1 1 29 29 LYS H H 1 8.10 0.010 . 1 . . . . 29 LYS H . 16626 1 203 . 1 1 29 29 LYS HA H 1 4.06 0.010 . 1 . . . . 29 LYS HA . 16626 1 204 . 1 1 29 29 LYS HB2 H 1 1.48 0.010 . 1 . . . . 29 LYS HB2 . 16626 1 205 . 1 1 29 29 LYS HB3 H 1 1.55 0.010 . 1 . . . . 29 LYS HB3 . 16626 1 206 . 1 1 29 29 LYS C C 13 175.94 0.040 . 1 . . . . 29 LYS C . 16626 1 207 . 1 1 29 29 LYS CA C 13 56.01 0.040 . 1 . . . . 29 LYS CA . 16626 1 208 . 1 1 29 29 LYS CB C 13 32.78 0.040 . 1 . . . . 29 LYS CB . 16626 1 209 . 1 1 29 29 LYS N N 15 121.17 0.040 . 1 . . . . 29 LYS N . 16626 1 210 . 1 1 30 30 ILE H H 1 8.03 0.010 . 1 . . . . 30 ILE H . 16626 1 211 . 1 1 30 30 ILE HA H 1 3.90 0.010 . 1 . . . . 30 ILE HA . 16626 1 212 . 1 1 30 30 ILE HB H 1 1.58 0.010 . 1 . . . . 30 ILE HB . 16626 1 213 . 1 1 30 30 ILE C C 13 175.53 0.040 . 1 . . . . 30 ILE C . 16626 1 214 . 1 1 30 30 ILE CA C 13 60.74 0.040 . 1 . . . . 30 ILE CA . 16626 1 215 . 1 1 30 30 ILE CB C 13 38.33 0.040 . 1 . . . . 30 ILE CB . 16626 1 216 . 1 1 30 30 ILE N N 15 122.59 0.040 . 1 . . . . 30 ILE N . 16626 1 217 . 1 1 31 31 GLN H H 1 8.31 0.010 . 1 . . . . 31 GLN H . 16626 1 218 . 1 1 31 31 GLN HA H 1 4.13 0.010 . 1 . . . . 31 GLN HA . 16626 1 219 . 1 1 31 31 GLN HB2 H 1 1.72 0.010 . 1 . . . . 31 GLN HB2 . 16626 1 220 . 1 1 31 31 GLN HB3 H 1 1.83 0.010 . 1 . . . . 31 GLN HB3 . 16626 1 221 . 1 1 31 31 GLN C C 13 174.93 0.040 . 1 . . . . 31 GLN C . 16626 1 222 . 1 1 31 31 GLN CA C 13 55.27 0.040 . 1 . . . . 31 GLN CA . 16626 1 223 . 1 1 31 31 GLN CB C 13 29.38 0.040 . 1 . . . . 31 GLN CB . 16626 1 224 . 1 1 31 31 GLN N N 15 124.64 0.040 . 1 . . . . 31 GLN N . 16626 1 225 . 1 1 32 32 ASP H H 1 8.33 0.010 . 1 . . . . 32 ASP H . 16626 1 226 . 1 1 32 32 ASP HA H 1 4.50 0.010 . 1 . . . . 32 ASP HA . 16626 1 227 . 1 1 32 32 ASP HB2 H 1 2.60 0.010 . 1 . . . . 32 ASP HB2 . 16626 1 228 . 1 1 32 32 ASP HB3 H 1 2.70 0.010 . 1 . . . . 32 ASP HB3 . 16626 1 229 . 1 1 32 32 ASP C C 13 174.46 0.040 . 1 . . . . 32 ASP C . 16626 1 230 . 1 1 32 32 ASP CA C 13 52.58 0.040 . 1 . . . . 32 ASP CA . 16626 1 231 . 1 1 32 32 ASP CB C 13 37.95 0.040 . 1 . . . . 32 ASP CB . 16626 1 232 . 1 1 32 32 ASP N N 15 120.90 0.040 . 1 . . . . 32 ASP N . 16626 1 233 . 1 1 33 33 LYS H H 1 8.22 0.010 . 1 . . . . 33 LYS H . 16626 1 234 . 1 1 33 33 LYS HA H 1 4.08 0.010 . 1 . . . . 33 LYS HA . 16626 1 235 . 1 1 33 33 LYS HB2 H 1 1.50 0.010 . 1 . . . . 33 LYS HB2 . 16626 1 236 . 1 1 33 33 LYS HB3 H 1 1.61 0.010 . 1 . . . . 33 LYS HB3 . 16626 1 237 . 1 1 33 33 LYS C C 13 175.75 0.040 . 1 . . . . 33 LYS C . 16626 1 238 . 1 1 33 33 LYS CA C 13 56.29 0.040 . 1 . . . . 33 LYS CA . 16626 1 239 . 1 1 33 33 LYS CB C 13 32.70 0.040 . 1 . . . . 33 LYS CB . 16626 1 240 . 1 1 33 33 LYS N N 15 122.12 0.040 . 1 . . . . 33 LYS N . 16626 1 241 . 1 1 34 34 GLU H H 1 8.12 0.010 . 1 . . . . 34 GLU H . 16626 1 242 . 1 1 34 34 GLU HA H 1 4.14 0.010 . 1 . . . . 34 GLU HA . 16626 1 243 . 1 1 34 34 GLU HB2 H 1 1.76 0.010 . 1 . . . . 34 GLU HB2 . 16626 1 244 . 1 1 34 34 GLU HB3 H 1 1.90 0.010 . 1 . . . . 34 GLU HB3 . 16626 1 245 . 1 1 34 34 GLU C C 13 175.72 0.040 . 1 . . . . 34 GLU C . 16626 1 246 . 1 1 34 34 GLU CA C 13 55.49 0.040 . 1 . . . . 34 GLU CA . 16626 1 247 . 1 1 34 34 GLU CB C 13 28.76 0.040 . 1 . . . . 34 GLU CB . 16626 1 248 . 1 1 34 34 GLU N N 15 120.55 0.040 . 1 . . . . 34 GLU N . 16626 1 249 . 1 1 35 35 GLY H H 1 8.13 0.010 . 1 . . . . 35 GLY H . 16626 1 250 . 1 1 35 35 GLY HA2 H 1 3.67 0.010 . 2 . . . . 35 GLY HA2 . 16626 1 251 . 1 1 35 35 GLY HA3 H 1 3.76 0.010 . 2 . . . . 35 GLY HA3 . 16626 1 252 . 1 1 35 35 GLY C C 13 172.79 0.040 . 1 . . . . 35 GLY C . 16626 1 253 . 1 1 35 35 GLY CA C 13 44.72 0.040 . 1 . . . . 35 GLY CA . 16626 1 254 . 1 1 35 35 GLY N N 15 109.61 0.040 . 1 . . . . 35 GLY N . 16626 1 255 . 1 1 36 36 ILE H H 1 7.82 0.010 . 1 . . . . 36 ILE H . 16626 1 256 . 1 1 36 36 ILE N N 15 121.03 0.040 . 1 . . . . 36 ILE N . 16626 1 257 . 1 1 38 38 PRO HA H 1 4.17 0.010 . 1 . . . . 38 PRO HA . 16626 1 258 . 1 1 38 38 PRO HB2 H 1 1.69 0.010 . 2 . . . . 38 PRO HB2 . 16626 1 259 . 1 1 38 38 PRO HB3 H 1 2.05 0.010 . 2 . . . . 38 PRO HB3 . 16626 1 260 . 1 1 38 38 PRO C C 13 176.29 0.040 . 1 . . . . 38 PRO C . 16626 1 261 . 1 1 38 38 PRO CA C 13 63.09 0.040 . 1 . . . . 38 PRO CA . 16626 1 262 . 1 1 38 38 PRO CB C 13 31.76 0.040 . 1 . . . . 38 PRO CB . 16626 1 263 . 1 1 39 39 ASP H H 1 8.26 0.010 . 1 . . . . 39 ASP H . 16626 1 264 . 1 1 39 39 ASP HA H 1 4.41 0.010 . 1 . . . . 39 ASP HA . 16626 1 265 . 1 1 39 39 ASP HB2 H 1 2.67 0.010 . 2 . . . . 39 ASP HB2 . 16626 1 266 . 1 1 39 39 ASP HB3 H 1 2.71 0.010 . 2 . . . . 39 ASP HB3 . 16626 1 267 . 1 1 39 39 ASP C C 13 174.65 0.040 . 1 . . . . 39 ASP C . 16626 1 268 . 1 1 39 39 ASP CA C 13 52.78 0.040 . 1 . . . . 39 ASP CA . 16626 1 269 . 1 1 39 39 ASP CB C 13 37.57 0.040 . 1 . . . . 39 ASP CB . 16626 1 270 . 1 1 39 39 ASP N N 15 117.32 0.040 . 1 . . . . 39 ASP N . 16626 1 271 . 1 1 40 40 GLN H H 1 8.10 0.010 . 1 . . . . 40 GLN H . 16626 1 272 . 1 1 40 40 GLN HA H 1 4.10 0.010 . 1 . . . . 40 GLN HA . 16626 1 273 . 1 1 40 40 GLN HB2 H 1 1.69 0.010 . 1 . . . . 40 GLN HB2 . 16626 1 274 . 1 1 40 40 GLN HB3 H 1 1.90 0.010 . 1 . . . . 40 GLN HB3 . 16626 1 275 . 1 1 40 40 GLN C C 13 175.25 0.040 . 1 . . . . 40 GLN C . 16626 1 276 . 1 1 40 40 GLN CA C 13 55.60 0.040 . 1 . . . . 40 GLN CA . 16626 1 277 . 1 1 40 40 GLN CB C 13 29.37 0.040 . 1 . . . . 40 GLN CB . 16626 1 278 . 1 1 40 40 GLN N N 15 120.30 0.040 . 1 . . . . 40 GLN N . 16626 1 279 . 1 1 41 41 GLN H H 1 8.05 0.010 . 1 . . . . 41 GLN H . 16626 1 280 . 1 1 41 41 GLN HA H 1 4.04 0.010 . 1 . . . . 41 GLN HA . 16626 1 281 . 1 1 41 41 GLN HB2 H 1 1.73 0.010 . 1 . . . . 41 GLN HB2 . 16626 1 282 . 1 1 41 41 GLN HB3 H 1 1.83 0.010 . 1 . . . . 41 GLN HB3 . 16626 1 283 . 1 1 41 41 GLN C C 13 175.20 0.040 . 1 . . . . 41 GLN C . 16626 1 284 . 1 1 41 41 GLN CA C 13 55.77 0.040 . 1 . . . . 41 GLN CA . 16626 1 285 . 1 1 41 41 GLN CB C 13 29.28 0.040 . 1 . . . . 41 GLN CB . 16626 1 286 . 1 1 41 41 GLN N N 15 121.08 0.040 . 1 . . . . 41 GLN N . 16626 1 287 . 1 1 42 42 ARG H H 1 8.17 0.010 . 1 . . . . 42 ARG H . 16626 1 288 . 1 1 42 42 ARG HA H 1 4.08 0.010 . 1 . . . . 42 ARG HA . 16626 1 289 . 1 1 42 42 ARG HB2 H 1 1.50 0.010 . 1 . . . . 42 ARG HB2 . 16626 1 290 . 1 1 42 42 ARG HB3 H 1 1.56 0.010 . 1 . . . . 42 ARG HB3 . 16626 1 291 . 1 1 42 42 ARG C C 13 175.25 0.040 . 1 . . . . 42 ARG C . 16626 1 292 . 1 1 42 42 ARG CA C 13 55.69 0.040 . 1 . . . . 42 ARG CA . 16626 1 293 . 1 1 42 42 ARG CB C 13 30.59 0.040 . 1 . . . . 42 ARG CB . 16626 1 294 . 1 1 42 42 ARG N N 15 122.19 0.040 . 1 . . . . 42 ARG N . 16626 1 295 . 1 1 43 43 LEU H H 1 8.10 0.010 . 1 . . . . 43 LEU H . 16626 1 296 . 1 1 43 43 LEU HA H 1 4.09 0.010 . 1 . . . . 43 LEU HA . 16626 1 297 . 1 1 43 43 LEU HB2 H 1 1.33 0.010 . 1 . . . . 43 LEU HB2 . 16626 1 298 . 1 1 43 43 LEU HB3 H 1 1.15 0.010 . 1 . . . . 43 LEU HB3 . 16626 1 299 . 1 1 43 43 LEU C C 13 176.07 0.040 . 1 . . . . 43 LEU C . 16626 1 300 . 1 1 43 43 LEU CA C 13 54.62 0.040 . 1 . . . . 43 LEU CA . 16626 1 301 . 1 1 43 43 LEU CB C 13 42.15 0.040 . 1 . . . . 43 LEU CB . 16626 1 302 . 1 1 43 43 LEU N N 15 123.91 0.040 . 1 . . . . 43 LEU N . 16626 1 303 . 1 1 44 44 ILE H H 1 7.96 0.010 . 1 . . . . 44 ILE H . 16626 1 304 . 1 1 44 44 ILE HA H 1 3.87 0.010 . 1 . . . . 44 ILE HA . 16626 1 305 . 1 1 44 44 ILE HB H 1 1.50 0.010 . 1 . . . . 44 ILE HB . 16626 1 306 . 1 1 44 44 ILE C C 13 175.18 0.040 . 1 . . . . 44 ILE C . 16626 1 307 . 1 1 44 44 ILE CA C 13 60.42 0.040 . 1 . . . . 44 ILE CA . 16626 1 308 . 1 1 44 44 ILE CB C 13 38.58 0.040 . 1 . . . . 44 ILE CB . 16626 1 309 . 1 1 44 44 ILE N N 15 121.96 0.040 . 1 . . . . 44 ILE N . 16626 1 310 . 1 1 45 45 PHE H H 1 8.20 0.010 . 1 . . . . 45 PHE H . 16626 1 311 . 1 1 45 45 PHE HA H 1 4.43 0.010 . 1 . . . . 45 PHE HA . 16626 1 312 . 1 1 45 45 PHE HB2 H 1 2.73 0.010 . 1 . . . . 45 PHE HB2 . 16626 1 313 . 1 1 45 45 PHE HB3 H 1 2.88 0.010 . 1 . . . . 45 PHE HB3 . 16626 1 314 . 1 1 45 45 PHE C C 13 174.62 0.040 . 1 . . . . 45 PHE C . 16626 1 315 . 1 1 45 45 PHE CA C 13 56.98 0.040 . 1 . . . . 45 PHE CA . 16626 1 316 . 1 1 45 45 PHE CB C 13 39.44 0.040 . 1 . . . . 45 PHE CB . 16626 1 317 . 1 1 45 45 PHE N N 15 124.65 0.040 . 1 . . . . 45 PHE N . 16626 1 318 . 1 1 46 46 ALA H H 1 8.11 0.010 . 1 . . . . 46 ALA H . 16626 1 319 . 1 1 46 46 ALA HA H 1 4.10 0.010 . 1 . . . . 46 ALA HA . 16626 1 320 . 1 1 46 46 ALA HB1 H 1 1.12 0.010 . 1 . . . . 46 ALA HB . 16626 1 321 . 1 1 46 46 ALA HB2 H 1 1.12 0.010 . 1 . . . . 46 ALA HB . 16626 1 322 . 1 1 46 46 ALA HB3 H 1 1.12 0.010 . 1 . . . . 46 ALA HB . 16626 1 323 . 1 1 46 46 ALA C C 13 176.96 0.040 . 1 . . . . 46 ALA C . 16626 1 324 . 1 1 46 46 ALA CA C 13 51.95 0.040 . 1 . . . . 46 ALA CA . 16626 1 325 . 1 1 46 46 ALA CB C 13 19.19 0.040 . 1 . . . . 46 ALA CB . 16626 1 326 . 1 1 46 46 ALA N N 15 126.12 0.040 . 1 . . . . 46 ALA N . 16626 1 327 . 1 1 47 47 GLY H H 1 7.69 0.010 . 1 . . . . 47 GLY H . 16626 1 328 . 1 1 47 47 GLY HA2 H 1 3.67 0.010 . 2 . . . . 47 GLY HA2 . 16626 1 329 . 1 1 47 47 GLY HA3 H 1 3.68 0.010 . 2 . . . . 47 GLY HA3 . 16626 1 330 . 1 1 47 47 GLY C C 13 173.26 0.040 . 1 . . . . 47 GLY C . 16626 1 331 . 1 1 47 47 GLY CA C 13 44.87 0.040 . 1 . . . . 47 GLY CA . 16626 1 332 . 1 1 47 47 GLY N N 15 107.39 0.040 . 1 . . . . 47 GLY N . 16626 1 333 . 1 1 48 48 LYS H H 1 8.01 0.010 . 1 . . . . 48 LYS H . 16626 1 334 . 1 1 48 48 LYS HA H 1 4.08 0.010 . 1 . . . . 48 LYS HA . 16626 1 335 . 1 1 48 48 LYS HB2 H 1 1.49 0.010 . 1 . . . . 48 LYS HB2 . 16626 1 336 . 1 1 48 48 LYS HB3 H 1 1.57 0.010 . 1 . . . . 48 LYS HB3 . 16626 1 337 . 1 1 48 48 LYS C C 13 175.92 0.040 . 1 . . . . 48 LYS C . 16626 1 338 . 1 1 48 48 LYS CA C 13 56.01 0.040 . 1 . . . . 48 LYS CA . 16626 1 339 . 1 1 48 48 LYS CB C 13 33.04 0.040 . 1 . . . . 48 LYS CB . 16626 1 340 . 1 1 48 48 LYS N N 15 120.57 0.040 . 1 . . . . 48 LYS N . 16626 1 341 . 1 1 49 49 GLN H H 1 8.29 0.010 . 1 . . . . 49 GLN H . 16626 1 342 . 1 1 49 49 GLN HA H 1 4.09 0.010 . 1 . . . . 49 GLN HA . 16626 1 343 . 1 1 49 49 GLN HB2 H 1 1.74 0.010 . 1 . . . . 49 GLN HB2 . 16626 1 344 . 1 1 49 49 GLN HB3 H 1 1.83 0.010 . 1 . . . . 49 GLN HB3 . 16626 1 345 . 1 1 49 49 GLN C C 13 175.29 0.040 . 1 . . . . 49 GLN C . 16626 1 346 . 1 1 49 49 GLN CA C 13 55.45 0.040 . 1 . . . . 49 GLN CA . 16626 1 347 . 1 1 49 49 GLN CB C 13 29.14 0.040 . 1 . . . . 49 GLN CB . 16626 1 348 . 1 1 49 49 GLN N N 15 121.53 0.040 . 1 . . . . 49 GLN N . 16626 1 349 . 1 1 50 50 LEU H H 1 8.14 0.010 . 1 . . . . 50 LEU H . 16626 1 350 . 1 1 50 50 LEU HA H 1 4.11 0.010 . 1 . . . . 50 LEU HA . 16626 1 351 . 1 1 50 50 LEU HB2 H 1 1.38 0.010 . 2 . . . . 50 LEU HB2 . 16626 1 352 . 1 1 50 50 LEU HB3 H 1 1.31 0.010 . 2 . . . . 50 LEU HB3 . 16626 1 353 . 1 1 50 50 LEU C C 13 176.68 0.040 . 1 . . . . 50 LEU C . 16626 1 354 . 1 1 50 50 LEU CA C 13 54.81 0.040 . 1 . . . . 50 LEU CA . 16626 1 355 . 1 1 50 50 LEU CB C 13 42.07 0.040 . 1 . . . . 50 LEU CB . 16626 1 356 . 1 1 50 50 LEU N N 15 123.80 0.040 . 1 . . . . 50 LEU N . 16626 1 357 . 1 1 51 51 GLU H H 1 8.23 0.010 . 1 . . . . 51 GLU H . 16626 1 358 . 1 1 51 51 GLU HA H 1 4.17 0.010 . 1 . . . . 51 GLU HA . 16626 1 359 . 1 1 51 51 GLU HB2 H 1 1.74 0.010 . 1 . . . . 51 GLU HB2 . 16626 1 360 . 1 1 51 51 GLU HB3 H 1 1.88 0.010 . 1 . . . . 51 GLU HB3 . 16626 1 361 . 1 1 51 51 GLU C C 13 175.19 0.040 . 1 . . . . 51 GLU C . 16626 1 362 . 1 1 51 51 GLU CA C 13 55.25 0.040 . 1 . . . . 51 GLU CA . 16626 1 363 . 1 1 51 51 GLU CB C 13 28.50 0.040 . 1 . . . . 51 GLU CB . 16626 1 364 . 1 1 51 51 GLU N N 15 120.71 0.040 . 1 . . . . 51 GLU N . 16626 1 365 . 1 1 52 52 ASP H H 1 8.30 0.010 . 1 . . . . 52 ASP H . 16626 1 366 . 1 1 52 52 ASP HA H 1 4.50 0.010 . 1 . . . . 52 ASP HA . 16626 1 367 . 1 1 52 52 ASP HB2 H 1 2.64 0.010 . 1 . . . . 52 ASP HB2 . 16626 1 368 . 1 1 52 52 ASP HB3 H 1 2.71 0.010 . 1 . . . . 52 ASP HB3 . 16626 1 369 . 1 1 52 52 ASP C C 13 174.85 0.040 . 1 . . . . 52 ASP C . 16626 1 370 . 1 1 52 52 ASP CA C 13 52.67 0.040 . 1 . . . . 52 ASP CA . 16626 1 371 . 1 1 52 52 ASP CB C 13 37.96 0.040 . 1 . . . . 52 ASP CB . 16626 1 372 . 1 1 52 52 ASP N N 15 119.75 0.040 . 1 . . . . 52 ASP N . 16626 1 373 . 1 1 53 53 GLY H H 1 8.15 0.010 . 1 . . . . 53 GLY H . 16626 1 374 . 1 1 53 53 GLY HA2 H 1 3.71 0.010 . 2 . . . . 53 GLY HA2 . 16626 1 375 . 1 1 53 53 GLY HA3 H 1 3.74 0.010 . 2 . . . . 53 GLY HA3 . 16626 1 376 . 1 1 53 53 GLY C C 13 173.28 0.040 . 1 . . . . 53 GLY C . 16626 1 377 . 1 1 53 53 GLY CA C 13 45.15 0.040 . 1 . . . . 53 GLY CA . 16626 1 378 . 1 1 53 53 GLY N N 15 108.72 0.040 . 1 . . . . 53 GLY N . 16626 1 379 . 1 1 54 54 ARG H H 1 7.92 0.010 . 1 . . . . 54 ARG H . 16626 1 380 . 1 1 54 54 ARG HA H 1 4.19 0.010 . 1 . . . . 54 ARG HA . 16626 1 381 . 1 1 54 54 ARG HB2 H 1 1.53 0.010 . 1 . . . . 54 ARG HB2 . 16626 1 382 . 1 1 54 54 ARG HB3 H 1 1.62 0.010 . 1 . . . . 54 ARG HB3 . 16626 1 383 . 1 1 54 54 ARG C C 13 175.85 0.040 . 1 . . . . 54 ARG C . 16626 1 384 . 1 1 54 54 ARG CA C 13 55.75 0.040 . 1 . . . . 54 ARG CA . 16626 1 385 . 1 1 54 54 ARG CB C 13 30.87 0.040 . 1 . . . . 54 ARG CB . 16626 1 386 . 1 1 54 54 ARG N N 15 120.03 0.040 . 1 . . . . 54 ARG N . 16626 1 387 . 1 1 55 55 THR H H 1 8.04 0.010 . 1 . . . . 55 THR H . 16626 1 388 . 1 1 55 55 THR HA H 1 4.13 0.010 . 1 . . . . 55 THR HA . 16626 1 389 . 1 1 55 55 THR HB H 1 3.96 0.010 . 1 . . . . 55 THR HB . 16626 1 390 . 1 1 55 55 THR C C 13 173.92 0.040 . 1 . . . . 55 THR C . 16626 1 391 . 1 1 55 55 THR CA C 13 61.57 0.040 . 1 . . . . 55 THR CA . 16626 1 392 . 1 1 55 55 THR CB C 13 69.63 0.040 . 1 . . . . 55 THR CB . 16626 1 393 . 1 1 55 55 THR N N 15 115.45 0.040 . 1 . . . . 55 THR N . 16626 1 394 . 1 1 56 56 LEU H H 1 8.14 0.010 . 1 . . . . 56 LEU H . 16626 1 395 . 1 1 56 56 LEU HA H 1 4.17 0.010 . 1 . . . . 56 LEU HA . 16626 1 396 . 1 1 56 56 LEU HB2 H 1 1.38 0.010 . 1 . . . . 56 LEU HB2 . 16626 1 397 . 1 1 56 56 LEU HB3 H 1 1.35 0.010 . 1 . . . . 56 LEU HB3 . 16626 1 398 . 1 1 56 56 LEU C C 13 176.65 0.040 . 1 . . . . 56 LEU C . 16626 1 399 . 1 1 56 56 LEU CA C 13 54.77 0.040 . 1 . . . . 56 LEU CA . 16626 1 400 . 1 1 56 56 LEU CB C 13 42.20 0.040 . 1 . . . . 56 LEU CB . 16626 1 401 . 1 1 56 56 LEU N N 15 124.58 0.040 . 1 . . . . 56 LEU N . 16626 1 402 . 1 1 57 57 SER H H 1 8.13 0.010 . 1 . . . . 57 SER H . 16626 1 403 . 1 1 57 57 SER HA H 1 4.19 0.010 . 1 . . . . 57 SER HA . 16626 1 404 . 1 1 57 57 SER HB2 H 1 3.54 0.010 . 2 . . . . 57 SER HB2 . 16626 1 405 . 1 1 57 57 SER HB3 H 1 3.58 0.010 . 2 . . . . 57 SER HB3 . 16626 1 406 . 1 1 57 57 SER C C 13 173.69 0.040 . 1 . . . . 57 SER C . 16626 1 407 . 1 1 57 57 SER CA C 13 57.93 0.040 . 1 . . . . 57 SER CA . 16626 1 408 . 1 1 57 57 SER CB C 13 63.64 0.040 . 1 . . . . 57 SER CB . 16626 1 409 . 1 1 57 57 SER N N 15 116.14 0.040 . 1 . . . . 57 SER N . 16626 1 410 . 1 1 58 58 ASP H H 1 8.22 0.010 . 1 . . . . 58 ASP H . 16626 1 411 . 1 1 58 58 ASP HA H 1 4.47 0.010 . 1 . . . . 58 ASP HA . 16626 1 412 . 1 1 58 58 ASP HB2 H 1 2.48 0.010 . 2 . . . . 58 ASP HB2 . 16626 1 413 . 1 1 58 58 ASP HB3 H 1 2.53 0.010 . 2 . . . . 58 ASP HB3 . 16626 1 414 . 1 1 58 58 ASP C C 13 174.09 0.040 . 1 . . . . 58 ASP C . 16626 1 415 . 1 1 58 58 ASP CA C 13 52.62 0.040 . 1 . . . . 58 ASP CA . 16626 1 416 . 1 1 58 58 ASP CB C 13 37.84 0.040 . 1 . . . . 58 ASP CB . 16626 1 417 . 1 1 58 58 ASP N N 15 120.60 0.040 . 1 . . . . 58 ASP N . 16626 1 418 . 1 1 59 59 TYR H H 1 7.87 0.010 . 1 . . . . 59 TYR H . 16626 1 419 . 1 1 59 59 TYR HA H 1 4.28 0.010 . 1 . . . . 59 TYR HA . 16626 1 420 . 1 1 59 59 TYR HB2 H 1 2.67 0.010 . 1 . . . . 59 TYR HB2 . 16626 1 421 . 1 1 59 59 TYR HB3 H 1 2.79 0.010 . 1 . . . . 59 TYR HB3 . 16626 1 422 . 1 1 59 59 TYR C C 13 174.69 0.040 . 1 . . . . 59 TYR C . 16626 1 423 . 1 1 59 59 TYR CA C 13 57.67 0.040 . 1 . . . . 59 TYR CA . 16626 1 424 . 1 1 59 59 TYR CB C 13 38.57 0.040 . 1 . . . . 59 TYR CB . 16626 1 425 . 1 1 59 59 TYR N N 15 120.24 0.040 . 1 . . . . 59 TYR N . 16626 1 426 . 1 1 60 60 ASN H H 1 8.13 0.010 . 1 . . . . 60 ASN H . 16626 1 427 . 1 1 60 60 ASN HA H 1 4.45 0.010 . 1 . . . . 60 ASN HA . 16626 1 428 . 1 1 60 60 ASN HB2 H 1 2.42 0.010 . 1 . . . . 60 ASN HB2 . 16626 1 429 . 1 1 60 60 ASN HB3 H 1 2.56 0.010 . 1 . . . . 60 ASN HB3 . 16626 1 430 . 1 1 60 60 ASN C C 13 174.34 0.040 . 1 . . . . 60 ASN C . 16626 1 431 . 1 1 60 60 ASN CA C 13 52.78 0.040 . 1 . . . . 60 ASN CA . 16626 1 432 . 1 1 60 60 ASN CB C 13 38.63 0.040 . 1 . . . . 60 ASN CB . 16626 1 433 . 1 1 60 60 ASN N N 15 120.23 0.040 . 1 . . . . 60 ASN N . 16626 1 434 . 1 1 61 61 ILE H H 1 7.77 0.010 . 1 . . . . 61 ILE H . 16626 1 435 . 1 1 61 61 ILE HA H 1 3.87 0.010 . 1 . . . . 61 ILE HA . 16626 1 436 . 1 1 61 61 ILE HB H 1 1.59 0.010 . 1 . . . . 61 ILE HB . 16626 1 437 . 1 1 61 61 ILE C C 13 175.51 0.040 . 1 . . . . 61 ILE C . 16626 1 438 . 1 1 61 61 ILE CA C 13 61.05 0.040 . 1 . . . . 61 ILE CA . 16626 1 439 . 1 1 61 61 ILE CB C 13 38.33 0.040 . 1 . . . . 61 ILE CB . 16626 1 440 . 1 1 61 61 ILE N N 15 120.77 0.040 . 1 . . . . 61 ILE N . 16626 1 441 . 1 1 62 62 GLN H H 1 8.18 0.010 . 1 . . . . 62 GLN H . 16626 1 442 . 1 1 62 62 GLN HA H 1 4.08 0.010 . 1 . . . . 62 GLN HA . 16626 1 443 . 1 1 62 62 GLN HB2 H 1 1.74 0.010 . 1 . . . . 62 GLN HB2 . 16626 1 444 . 1 1 62 62 GLN HB3 H 1 1.84 0.010 . 1 . . . . 62 GLN HB3 . 16626 1 445 . 1 1 62 62 GLN C C 13 175.41 0.040 . 1 . . . . 62 GLN C . 16626 1 446 . 1 1 62 62 GLN CA C 13 55.58 0.040 . 1 . . . . 62 GLN CA . 16626 1 447 . 1 1 62 62 GLN CB C 13 29.00 0.040 . 1 . . . . 62 GLN CB . 16626 1 448 . 1 1 62 62 GLN N N 15 123.80 0.040 . 1 . . . . 62 GLN N . 16626 1 449 . 1 1 63 63 LYS H H 1 8.12 0.010 . 1 . . . . 63 LYS H . 16626 1 450 . 1 1 63 63 LYS HA H 1 4.05 0.010 . 1 . . . . 63 LYS HA . 16626 1 451 . 1 1 63 63 LYS HB2 H 1 1.50 0.010 . 1 . . . . 63 LYS HB2 . 16626 1 452 . 1 1 63 63 LYS HB3 H 1 1.59 0.010 . 1 . . . . 63 LYS HB3 . 16626 1 453 . 1 1 63 63 LYS C C 13 175.98 0.040 . 1 . . . . 63 LYS C . 16626 1 454 . 1 1 63 63 LYS CA C 13 56.16 0.040 . 1 . . . . 63 LYS CA . 16626 1 455 . 1 1 63 63 LYS CB C 13 32.85 0.040 . 1 . . . . 63 LYS CB . 16626 1 456 . 1 1 63 63 LYS N N 15 122.55 0.040 . 1 . . . . 63 LYS N . 16626 1 457 . 1 1 64 64 GLU H H 1 8.18 0.010 . 1 . . . . 64 GLU H . 16626 1 458 . 1 1 64 64 GLU HA H 1 4.17 0.010 . 1 . . . . 64 GLU HA . 16626 1 459 . 1 1 64 64 GLU HB2 H 1 1.76 0.010 . 1 . . . . 64 GLU HB2 . 16626 1 460 . 1 1 64 64 GLU HB3 H 1 1.89 0.010 . 1 . . . . 64 GLU HB3 . 16626 1 461 . 1 1 64 64 GLU C C 13 175.50 0.040 . 1 . . . . 64 GLU C . 16626 1 462 . 1 1 64 64 GLU CA C 13 55.46 0.040 . 1 . . . . 64 GLU CA . 16626 1 463 . 1 1 64 64 GLU CB C 13 28.71 0.040 . 1 . . . . 64 GLU CB . 16626 1 464 . 1 1 64 64 GLU N N 15 121.10 0.040 . 1 . . . . 64 GLU N . 16626 1 465 . 1 1 65 65 SER H H 1 8.22 0.010 . 1 . . . . 65 SER H . 16626 1 466 . 1 1 65 65 SER HA H 1 4.29 0.010 . 1 . . . . 65 SER HA . 16626 1 467 . 1 1 65 65 SER HB2 H 1 3.62 0.010 . 1 . . . . 65 SER HB2 . 16626 1 468 . 1 1 65 65 SER HB3 H 1 3.69 0.010 . 1 . . . . 65 SER HB3 . 16626 1 469 . 1 1 65 65 SER C C 13 174.31 0.040 . 1 . . . . 65 SER C . 16626 1 470 . 1 1 65 65 SER CA C 13 58.02 0.040 . 1 . . . . 65 SER CA . 16626 1 471 . 1 1 65 65 SER CB C 13 63.62 0.040 . 1 . . . . 65 SER CB . 16626 1 472 . 1 1 65 65 SER N N 15 116.83 0.040 . 1 . . . . 65 SER N . 16626 1 473 . 1 1 66 66 THR H H 1 8.03 0.010 . 1 . . . . 66 THR H . 16626 1 474 . 1 1 66 66 THR HA H 1 4.11 0.010 . 1 . . . . 66 THR HA . 16626 1 475 . 1 1 66 66 THR HB H 1 4.01 0.010 . 1 . . . . 66 THR HB . 16626 1 476 . 1 1 66 66 THR C C 13 173.78 0.040 . 1 . . . . 66 THR C . 16626 1 477 . 1 1 66 66 THR CA C 13 61.53 0.040 . 1 . . . . 66 THR CA . 16626 1 478 . 1 1 66 66 THR CB C 13 69.31 0.040 . 1 . . . . 66 THR CB . 16626 1 479 . 1 1 66 66 THR N N 15 115.64 0.040 . 1 . . . . 66 THR N . 16626 1 480 . 1 1 67 67 LEU H H 1 7.90 0.010 . 1 . . . . 67 LEU H . 16626 1 481 . 1 1 67 67 LEU HA H 1 4.05 0.010 . 1 . . . . 67 LEU HA . 16626 1 482 . 1 1 67 67 LEU HB2 H 1 1.31 0.010 . 1 . . . . 67 LEU HB2 . 16626 1 483 . 1 1 67 67 LEU HB3 H 1 1.23 0.010 . 1 . . . . 67 LEU HB3 . 16626 1 484 . 1 1 67 67 LEU C C 13 176.26 0.040 . 1 . . . . 67 LEU C . 16626 1 485 . 1 1 67 67 LEU CA C 13 54.89 0.040 . 1 . . . . 67 LEU CA . 16626 1 486 . 1 1 67 67 LEU CB C 13 42.27 0.040 . 1 . . . . 67 LEU CB . 16626 1 487 . 1 1 67 67 LEU N N 15 123.90 0.040 . 1 . . . . 67 LEU N . 16626 1 488 . 1 1 68 68 HIS H H 1 8.42 0.010 . 1 . . . . 68 HIS H . 16626 1 489 . 1 1 68 68 HIS HA H 1 4.50 0.010 . 1 . . . . 68 HIS HA . 16626 1 490 . 1 1 68 68 HIS HB2 H 1 2.91 0.010 . 1 . . . . 68 HIS HB2 . 16626 1 491 . 1 1 68 68 HIS HB3 H 1 3.01 0.010 . 1 . . . . 68 HIS HB3 . 16626 1 492 . 1 1 68 68 HIS C C 13 173.32 0.040 . 1 . . . . 68 HIS C . 16626 1 493 . 1 1 68 68 HIS CA C 13 54.45 0.040 . 1 . . . . 68 HIS CA . 16626 1 494 . 1 1 68 68 HIS CB C 13 28.51 0.040 . 1 . . . . 68 HIS CB . 16626 1 495 . 1 1 68 68 HIS N N 15 119.99 0.040 . 1 . . . . 68 HIS N . 16626 1 496 . 1 1 69 69 LEU H H 1 8.09 0.010 . 1 . . . . 69 LEU H . 16626 1 497 . 1 1 69 69 LEU HA H 1 4.13 0.010 . 1 . . . . 69 LEU HA . 16626 1 498 . 1 1 69 69 LEU HB2 H 1 1.34 0.010 . 1 . . . . 69 LEU HB2 . 16626 1 499 . 1 1 69 69 LEU HB3 H 1 1.26 0.010 . 1 . . . . 69 LEU HB3 . 16626 1 500 . 1 1 69 69 LEU C C 13 176.13 0.040 . 1 . . . . 69 LEU C . 16626 1 501 . 1 1 69 69 LEU CA C 13 54.71 0.040 . 1 . . . . 69 LEU CA . 16626 1 502 . 1 1 69 69 LEU CB C 13 42.36 0.040 . 1 . . . . 69 LEU CB . 16626 1 503 . 1 1 69 69 LEU N N 15 124.19 0.040 . 1 . . . . 69 LEU N . 16626 1 504 . 1 1 70 70 VAL H H 1 8.16 0.010 . 1 . . . . 70 VAL H . 16626 1 505 . 1 1 70 70 VAL HA H 1 3.85 0.010 . 1 . . . . 70 VAL HA . 16626 1 506 . 1 1 70 70 VAL HB H 1 1.77 0.010 . 1 . . . . 70 VAL HB . 16626 1 507 . 1 1 70 70 VAL C C 13 175.18 0.040 . 1 . . . . 70 VAL C . 16626 1 508 . 1 1 70 70 VAL CA C 13 61.92 0.040 . 1 . . . . 70 VAL CA . 16626 1 509 . 1 1 70 70 VAL CB C 13 32.30 0.040 . 1 . . . . 70 VAL CB . 16626 1 510 . 1 1 70 70 VAL N N 15 122.71 0.040 . 1 . . . . 70 VAL N . 16626 1 511 . 1 1 71 71 LEU H H 1 8.16 0.010 . 1 . . . . 71 LEU H . 16626 1 512 . 1 1 71 71 LEU HA H 1 4.14 0.010 . 1 . . . . 71 LEU HA . 16626 1 513 . 1 1 71 71 LEU HB2 H 1 1.36 0.010 . 1 . . . . 71 LEU HB2 . 16626 1 514 . 1 1 71 71 LEU HB3 H 1 1.28 0.010 . 1 . . . . 71 LEU HB3 . 16626 1 515 . 1 1 71 71 LEU C C 13 176.25 0.040 . 1 . . . . 71 LEU C . 16626 1 516 . 1 1 71 71 LEU CA C 13 54.43 0.040 . 1 . . . . 71 LEU CA . 16626 1 517 . 1 1 71 71 LEU CB C 13 42.28 0.040 . 1 . . . . 71 LEU CB . 16626 1 518 . 1 1 71 71 LEU N N 15 126.92 0.040 . 1 . . . . 71 LEU N . 16626 1 519 . 1 1 72 72 ARG H H 1 8.26 0.010 . 1 . . . . 72 ARG H . 16626 1 520 . 1 1 72 72 ARG HA H 1 4.14 0.010 . 1 . . . . 72 ARG HA . 16626 1 521 . 1 1 72 72 ARG HB2 H 1 1.50 0.010 . 1 . . . . 72 ARG HB2 . 16626 1 522 . 1 1 72 72 ARG HB3 H 1 1.57 0.010 . 1 . . . . 72 ARG HB3 . 16626 1 523 . 1 1 72 72 ARG CA C 13 55.45 0.040 . 1 . . . . 72 ARG CA . 16626 1 524 . 1 1 72 72 ARG CB C 13 30.51 0.040 . 1 . . . . 72 ARG CB . 16626 1 525 . 1 1 72 72 ARG N N 15 122.83 0.040 . 1 . . . . 72 ARG N . 16626 1 526 . 1 1 73 73 LEU H H 1 8.14 0.010 . 1 . . . . 73 LEU H . 16626 1 527 . 1 1 73 73 LEU HA H 1 4.12 0.010 . 1 . . . . 73 LEU HA . 16626 1 528 . 1 1 73 73 LEU HB2 H 1 1.38 0.010 . 1 . . . . 73 LEU HB2 . 16626 1 529 . 1 1 73 73 LEU HB3 H 1 1.31 0.010 . 1 . . . . 73 LEU HB3 . 16626 1 530 . 1 1 73 73 LEU C C 13 176.77 0.040 . 1 . . . . 73 LEU C . 16626 1 531 . 1 1 73 73 LEU CA C 13 54.69 0.040 . 1 . . . . 73 LEU CA . 16626 1 532 . 1 1 73 73 LEU CB C 13 42.23 0.040 . 1 . . . . 73 LEU CB . 16626 1 533 . 1 1 73 73 LEU N N 15 124.05 0.040 . 1 . . . . 73 LEU N . 16626 1 534 . 1 1 74 74 ARG H H 1 8.34 0.010 . 1 . . . . 74 ARG H . 16626 1 535 . 1 1 74 74 ARG HA H 1 4.10 0.010 . 1 . . . . 74 ARG HA . 16626 1 536 . 1 1 74 74 ARG HB2 H 1 1.54 0.010 . 1 . . . . 74 ARG HB2 . 16626 1 537 . 1 1 74 74 ARG HB3 H 1 1.63 0.010 . 1 . . . . 74 ARG HB3 . 16626 1 538 . 1 1 74 74 ARG C C 13 176.09 0.040 . 1 . . . . 74 ARG C . 16626 1 539 . 1 1 74 74 ARG CA C 13 56.00 0.040 . 1 . . . . 74 ARG CA . 16626 1 540 . 1 1 74 74 ARG CB C 13 30.60 0.040 . 1 . . . . 74 ARG CB . 16626 1 541 . 1 1 74 74 ARG N N 15 122.13 0.040 . 1 . . . . 74 ARG N . 16626 1 542 . 1 1 75 75 GLY H H 1 8.23 0.010 . 1 . . . . 75 GLY H . 16626 1 543 . 1 1 75 75 GLY HA2 H 1 3.75 0.010 . 2 . . . . 75 GLY HA2 . 16626 1 544 . 1 1 75 75 GLY HA3 H 1 3.77 0.010 . 2 . . . . 75 GLY HA3 . 16626 1 545 . 1 1 75 75 GLY C C 13 173.56 0.040 . 1 . . . . 75 GLY C . 16626 1 546 . 1 1 75 75 GLY CA C 13 44.75 0.040 . 1 . . . . 75 GLY CA . 16626 1 547 . 1 1 75 75 GLY N N 15 110.07 0.040 . 1 . . . . 75 GLY N . 16626 1 548 . 1 1 76 76 GLY H H 1 7.97 0.010 . 1 . . . . 76 GLY H . 16626 1 549 . 1 1 76 76 GLY N N 15 109.10 0.040 . 1 . . . . 76 GLY N . 16626 1 stop_ save_