################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34866 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 34866 1 2 '2D 1H-15N HSQC' . . . 34866 1 3 '3D HN(COCA)CB' . . . 34866 1 4 '3D HNCACB' . . . 34866 1 5 '3D HNHA' . . . 34866 1 6 '3D 1H-15N TOCSY' . . . 34866 1 7 '3D 1H-13C NOESY' . . . 34866 1 8 '3D 1H-15N NOESY' . . . 34866 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET HA H 1 4.441 0.002 . . . . . . A 1 MET HA . 34866 1 2 . 1 . 1 3 3 MET HB2 H 1 2.023 0.001 . . . . . . A 1 MET HB2 . 34866 1 3 . 1 . 1 3 3 MET HB3 H 1 1.953 0.011 . . . . . . A 1 MET HB3 . 34866 1 4 . 1 . 1 3 3 MET CA C 13 52.866 0.032 . . . . . . A 1 MET CA . 34866 1 5 . 1 . 1 3 3 MET CB C 13 30.184 0.038 . . . . . . A 1 MET CB . 34866 1 6 . 1 . 1 3 3 MET N N 15 122.526 0.009 . . . . . . A 1 MET N . 34866 1 7 . 1 . 1 4 4 LYS H H 1 8.321 0.006 . . . . . . A 2 LYS H . 34866 1 8 . 1 . 1 4 4 LYS HA H 1 4.233 0.000 . . . . . . A 2 LYS HA . 34866 1 9 . 1 . 1 4 4 LYS HB2 H 1 1.653 0.000 . . . . . . A 2 LYS HB2 . 34866 1 10 . 1 . 1 4 4 LYS HB3 H 1 1.738 0.000 . . . . . . A 2 LYS HB3 . 34866 1 11 . 1 . 1 4 4 LYS CA C 13 53.734 0.003 . . . . . . A 2 LYS CA . 34866 1 12 . 1 . 1 4 4 LYS CB C 13 30.349 0.017 . . . . . . A 2 LYS CB . 34866 1 13 . 1 . 1 4 4 LYS N N 15 122.726 0.011 . . . . . . A 2 LYS N . 34866 1 14 . 1 . 1 5 5 ASN H H 1 8.434 0.008 . . . . . . A 3 ASN H . 34866 1 15 . 1 . 1 5 5 ASN HA H 1 4.623 0.004 . . . . . . A 3 ASN HA . 34866 1 16 . 1 . 1 5 5 ASN HB2 H 1 2.752 0.018 . . . . . . A 3 ASN HB2 . 34866 1 17 . 1 . 1 5 5 ASN HB3 H 1 2.529 0.000 . . . . . . A 3 ASN HB3 . 34866 1 18 . 1 . 1 5 5 ASN HD21 H 1 7.608 0.005 . . . . . . A 3 ASN HD21 . 34866 1 19 . 1 . 1 5 5 ASN HD22 H 1 6.510 0.009 . . . . . . A 3 ASN HD22 . 34866 1 20 . 1 . 1 5 5 ASN CA C 13 50.412 0.052 . . . . . . A 3 ASN CA . 34866 1 21 . 1 . 1 5 5 ASN CB C 13 36.270 0.037 . . . . . . A 3 ASN CB . 34866 1 22 . 1 . 1 5 5 ASN N N 15 119.880 0.026 . . . . . . A 3 ASN N . 34866 1 23 . 1 . 1 5 5 ASN ND2 N 15 105.667 0.045 . . . . . . A 3 ASN ND2 . 34866 1 24 . 1 . 1 6 6 ASN H H 1 8.357 0.006 . . . . . . A 4 ASN H . 34866 1 25 . 1 . 1 6 6 ASN HA H 1 4.578 0.003 . . . . . . A 4 ASN HA . 34866 1 26 . 1 . 1 6 6 ASN HB2 H 1 2.725 0.019 . . . . . . A 4 ASN HB2 . 34866 1 27 . 1 . 1 6 6 ASN CA C 13 51.071 0.044 . . . . . . A 4 ASN CA . 34866 1 28 . 1 . 1 6 6 ASN CB C 13 36.109 0.061 . . . . . . A 4 ASN CB . 34866 1 29 . 1 . 1 6 6 ASN N N 15 119.672 0.031 . . . . . . A 4 ASN N . 34866 1 30 . 1 . 1 7 7 LYS H H 1 8.231 0.006 . . . . . . A 5 LYS H . 34866 1 31 . 1 . 1 7 7 LYS HA H 1 4.202 0.005 . . . . . . A 5 LYS HA . 34866 1 32 . 1 . 1 7 7 LYS HB2 H 1 1.754 0.000 . . . . . . A 5 LYS HB2 . 34866 1 33 . 1 . 1 7 7 LYS HB3 H 1 1.688 0.000 . . . . . . A 5 LYS HB3 . 34866 1 34 . 1 . 1 7 7 LYS CA C 13 54.220 0.000 . . . . . . A 5 LYS CA . 34866 1 35 . 1 . 1 7 7 LYS CB C 13 30.001 0.033 . . . . . . A 5 LYS CB . 34866 1 36 . 1 . 1 7 7 LYS N N 15 121.147 0.032 . . . . . . A 5 LYS N . 34866 1 37 . 1 . 1 8 8 ASP H H 1 8.187 0.004 . . . . . . A 6 ASP H . 34866 1 38 . 1 . 1 8 8 ASP HA H 1 4.533 0.005 . . . . . . A 6 ASP HA . 34866 1 39 . 1 . 1 8 8 ASP HB2 H 1 2.530 0.005 . . . . . . A 6 ASP HB2 . 34866 1 40 . 1 . 1 8 8 ASP HB3 H 1 2.655 0.004 . . . . . . A 6 ASP HB3 . 34866 1 41 . 1 . 1 8 8 ASP CA C 13 51.870 0.060 . . . . . . A 6 ASP CA . 34866 1 42 . 1 . 1 8 8 ASP CB C 13 38.396 0.067 . . . . . . A 6 ASP CB . 34866 1 43 . 1 . 1 8 8 ASP N N 15 121.106 0.026 . . . . . . A 6 ASP N . 34866 1 44 . 1 . 1 9 9 MET H H 1 8.097 0.002 . . . . . . A 7 MET H . 34866 1 45 . 1 . 1 9 9 MET HA H 1 4.390 0.003 . . . . . . A 7 MET HA . 34866 1 46 . 1 . 1 9 9 MET HB2 H 1 1.934 0.005 . . . . . . A 7 MET HB2 . 34866 1 47 . 1 . 1 9 9 MET HB3 H 1 2.022 0.010 . . . . . . A 7 MET HB3 . 34866 1 48 . 1 . 1 9 9 MET CA C 13 53.343 0.029 . . . . . . A 7 MET CA . 34866 1 49 . 1 . 1 9 9 MET CB C 13 31.434 0.058 . . . . . . A 7 MET CB . 34866 1 50 . 1 . 1 9 9 MET CG C 13 29.337 0.034 . . . . . . A 7 MET CG . 34866 1 51 . 1 . 1 9 9 MET N N 15 121.033 0.029 . . . . . . A 7 MET N . 34866 1 52 . 1 . 1 10 10 SER H H 1 8.632 0.010 . . . . . . A 8 SER H . 34866 1 53 . 1 . 1 10 10 SER HA H 1 4.373 0.005 . . . . . . A 8 SER HA . 34866 1 54 . 1 . 1 10 10 SER HB2 H 1 3.966 0.008 . . . . . . A 8 SER HB2 . 34866 1 55 . 1 . 1 10 10 SER HB3 H 1 4.248 0.011 . . . . . . A 8 SER HB3 . 34866 1 56 . 1 . 1 10 10 SER CA C 13 55.681 0.103 . . . . . . A 8 SER CA . 34866 1 57 . 1 . 1 10 10 SER CB C 13 61.788 0.049 . . . . . . A 8 SER CB . 34866 1 58 . 1 . 1 10 10 SER N N 15 118.892 0.031 . . . . . . A 8 SER N . 34866 1 59 . 1 . 1 11 11 LEU H H 1 8.664 0.005 . . . . . . A 9 LEU H . 34866 1 60 . 1 . 1 11 11 LEU HA H 1 3.923 0.012 . . . . . . A 9 LEU HA . 34866 1 61 . 1 . 1 11 11 LEU HB2 H 1 1.773 0.001 . . . . . . A 9 LEU HB2 . 34866 1 62 . 1 . 1 11 11 LEU HB3 H 1 1.668 0.000 . . . . . . A 9 LEU HB3 . 34866 1 63 . 1 . 1 11 11 LEU HG H 1 1.333 0.004 . . . . . . A 9 LEU HG . 34866 1 64 . 1 . 1 11 11 LEU HD11 H 1 0.881 0.004 . . . . . . A 9 LEU HD11 . 34866 1 65 . 1 . 1 11 11 LEU HD12 H 1 0.881 0.004 . . . . . . A 9 LEU HD12 . 34866 1 66 . 1 . 1 11 11 LEU HD13 H 1 0.881 0.004 . . . . . . A 9 LEU HD13 . 34866 1 67 . 1 . 1 11 11 LEU HD21 H 1 0.807 0.000 . . . . . . A 9 LEU HD21 . 34866 1 68 . 1 . 1 11 11 LEU HD22 H 1 0.807 0.000 . . . . . . A 9 LEU HD22 . 34866 1 69 . 1 . 1 11 11 LEU HD23 H 1 0.807 0.000 . . . . . . A 9 LEU HD23 . 34866 1 70 . 1 . 1 11 11 LEU CA C 13 55.601 0.074 . . . . . . A 9 LEU CA . 34866 1 71 . 1 . 1 11 11 LEU CB C 13 39.735 0.051 . . . . . . A 9 LEU CB . 34866 1 72 . 1 . 1 11 11 LEU CD1 C 13 22.689 0.055 . . . . . . A 9 LEU CD1 . 34866 1 73 . 1 . 1 11 11 LEU CD2 C 13 21.635 0.020 . . . . . . A 9 LEU CD2 . 34866 1 74 . 1 . 1 11 11 LEU N N 15 122.937 0.021 . . . . . . A 9 LEU N . 34866 1 75 . 1 . 1 12 12 GLU H H 1 8.815 0.007 . . . . . . A 10 GLU H . 34866 1 76 . 1 . 1 12 12 GLU HA H 1 3.885 0.006 . . . . . . A 10 GLU HA . 34866 1 77 . 1 . 1 12 12 GLU HB2 H 1 1.920 0.003 . . . . . . A 10 GLU HB2 . 34866 1 78 . 1 . 1 12 12 GLU HB3 H 1 2.025 0.012 . . . . . . A 10 GLU HB3 . 34866 1 79 . 1 . 1 12 12 GLU HG2 H 1 2.265 0.000 . . . . . . A 10 GLU HG2 . 34866 1 80 . 1 . 1 12 12 GLU CA C 13 57.762 0.035 . . . . . . A 10 GLU CA . 34866 1 81 . 1 . 1 12 12 GLU CB C 13 26.662 0.065 . . . . . . A 10 GLU CB . 34866 1 82 . 1 . 1 12 12 GLU CG C 13 34.172 0.052 . . . . . . A 10 GLU CG . 34866 1 83 . 1 . 1 12 12 GLU N N 15 119.108 0.033 . . . . . . A 10 GLU N . 34866 1 84 . 1 . 1 13 13 GLU H H 1 7.816 0.003 . . . . . . A 11 GLU H . 34866 1 85 . 1 . 1 13 13 GLU HA H 1 3.963 0.007 . . . . . . A 11 GLU HA . 34866 1 86 . 1 . 1 13 13 GLU HB2 H 1 1.855 0.007 . . . . . . A 11 GLU HB2 . 34866 1 87 . 1 . 1 13 13 GLU HB3 H 1 2.096 0.009 . . . . . . A 11 GLU HB3 . 34866 1 88 . 1 . 1 13 13 GLU HG2 H 1 2.519 0.007 . . . . . . A 11 GLU HG2 . 34866 1 89 . 1 . 1 13 13 GLU HG3 H 1 2.267 0.000 . . . . . . A 11 GLU HG3 . 34866 1 90 . 1 . 1 13 13 GLU CA C 13 56.535 0.034 . . . . . . A 11 GLU CA . 34866 1 91 . 1 . 1 13 13 GLU CB C 13 26.863 0.080 . . . . . . A 11 GLU CB . 34866 1 92 . 1 . 1 13 13 GLU CG C 13 35.168 0.029 . . . . . . A 11 GLU CG . 34866 1 93 . 1 . 1 13 13 GLU N N 15 120.485 0.014 . . . . . . A 11 GLU N . 34866 1 94 . 1 . 1 14 14 LYS H H 1 7.538 0.004 . . . . . . A 12 LYS H . 34866 1 95 . 1 . 1 14 14 LYS HA H 1 4.088 0.002 . . . . . . A 12 LYS HA . 34866 1 96 . 1 . 1 14 14 LYS HB2 H 1 1.843 0.000 . . . . . . A 12 LYS HB2 . 34866 1 97 . 1 . 1 14 14 LYS HB3 H 1 1.614 0.000 . . . . . . A 12 LYS HB3 . 34866 1 98 . 1 . 1 14 14 LYS HG2 H 1 1.363 0.000 . . . . . . A 12 LYS HG2 . 34866 1 99 . 1 . 1 14 14 LYS HG3 H 1 1.489 0.000 . . . . . . A 12 LYS HG3 . 34866 1 100 . 1 . 1 14 14 LYS CA C 13 55.511 0.031 . . . . . . A 12 LYS CA . 34866 1 101 . 1 . 1 14 14 LYS CB C 13 29.277 0.021 . . . . . . A 12 LYS CB . 34866 1 102 . 1 . 1 14 14 LYS N N 15 119.693 0.023 . . . . . . A 12 LYS N . 34866 1 103 . 1 . 1 15 15 ASN H H 1 7.692 0.006 . . . . . . A 13 ASN H . 34866 1 104 . 1 . 1 15 15 ASN HA H 1 3.987 0.005 . . . . . . A 13 ASN HA . 34866 1 105 . 1 . 1 15 15 ASN HB2 H 1 2.616 0.000 . . . . . . A 13 ASN HB2 . 34866 1 106 . 1 . 1 15 15 ASN CA C 13 54.332 0.000 . . . . . . A 13 ASN CA . 34866 1 107 . 1 . 1 15 15 ASN CB C 13 39.006 0.000 . . . . . . A 13 ASN CB . 34866 1 108 . 1 . 1 15 15 ASN N N 15 120.848 0.013 . . . . . . A 13 ASN N . 34866 1 109 . 1 . 1 16 16 LYS HA H 1 4.026 0.000 . . . . . . A 14 LYS HA . 34866 1 110 . 1 . 1 16 16 LYS HB2 H 1 1.894 0.000 . . . . . . A 14 LYS HB2 . 34866 1 111 . 1 . 1 17 17 GLN H H 1 7.824 0.006 . . . . . . A 15 GLN H . 34866 1 112 . 1 . 1 17 17 GLN HA H 1 3.998 0.000 . . . . . . A 15 GLN HA . 34866 1 113 . 1 . 1 17 17 GLN HB2 H 1 2.149 0.003 . . . . . . A 15 GLN HB2 . 34866 1 114 . 1 . 1 17 17 GLN HB3 H 1 2.097 0.000 . . . . . . A 15 GLN HB3 . 34866 1 115 . 1 . 1 17 17 GLN HG2 H 1 2.284 0.000 . . . . . . A 15 GLN HG2 . 34866 1 116 . 1 . 1 17 17 GLN HG3 H 1 2.490 0.000 . . . . . . A 15 GLN HG3 . 34866 1 117 . 1 . 1 17 17 GLN CA C 13 56.450 0.075 . . . . . . A 15 GLN CA . 34866 1 118 . 1 . 1 17 17 GLN CB C 13 25.472 0.042 . . . . . . A 15 GLN CB . 34866 1 119 . 1 . 1 17 17 GLN N N 15 119.261 0.034 . . . . . . A 15 GLN N . 34866 1 120 . 1 . 1 18 18 LEU H H 1 8.504 0.004 . . . . . . A 16 LEU H . 34866 1 121 . 1 . 1 18 18 LEU HA H 1 4.042 0.009 . . . . . . A 16 LEU HA . 34866 1 122 . 1 . 1 18 18 LEU HB2 H 1 1.271 0.007 . . . . . . A 16 LEU HB2 . 34866 1 123 . 1 . 1 18 18 LEU HB3 H 1 1.410 0.002 . . . . . . A 16 LEU HB3 . 34866 1 124 . 1 . 1 18 18 LEU HG H 1 0.990 0.000 . . . . . . A 16 LEU HG . 34866 1 125 . 1 . 1 18 18 LEU HD11 H 1 0.897 0.001 . . . . . . A 16 LEU HD11 . 34866 1 126 . 1 . 1 18 18 LEU HD12 H 1 0.897 0.001 . . . . . . A 16 LEU HD12 . 34866 1 127 . 1 . 1 18 18 LEU HD13 H 1 0.897 0.001 . . . . . . A 16 LEU HD13 . 34866 1 128 . 1 . 1 18 18 LEU HD21 H 1 0.841 0.007 . . . . . . A 16 LEU HD21 . 34866 1 129 . 1 . 1 18 18 LEU HD22 H 1 0.841 0.007 . . . . . . A 16 LEU HD22 . 34866 1 130 . 1 . 1 18 18 LEU HD23 H 1 0.841 0.007 . . . . . . A 16 LEU HD23 . 34866 1 131 . 1 . 1 18 18 LEU CA C 13 55.297 0.058 . . . . . . A 16 LEU CA . 34866 1 132 . 1 . 1 18 18 LEU CB C 13 40.970 0.000 . . . . . . A 16 LEU CB . 34866 1 133 . 1 . 1 18 18 LEU N N 15 121.558 0.026 . . . . . . A 16 LEU N . 34866 1 134 . 1 . 1 19 19 GLU H H 1 8.611 0.007 . . . . . . A 17 GLU H . 34866 1 135 . 1 . 1 19 19 GLU HA H 1 3.879 0.002 . . . . . . A 17 GLU HA . 34866 1 136 . 1 . 1 19 19 GLU HB2 H 1 2.009 0.007 . . . . . . A 17 GLU HB2 . 34866 1 137 . 1 . 1 19 19 GLU HB3 H 1 2.118 0.011 . . . . . . A 17 GLU HB3 . 34866 1 138 . 1 . 1 19 19 GLU HG2 H 1 2.426 0.001 . . . . . . A 17 GLU HG2 . 34866 1 139 . 1 . 1 19 19 GLU HG3 H 1 2.157 0.013 . . . . . . A 17 GLU HG3 . 34866 1 140 . 1 . 1 19 19 GLU CA C 13 57.512 0.068 . . . . . . A 17 GLU CA . 34866 1 141 . 1 . 1 19 19 GLU CB C 13 26.775 0.042 . . . . . . A 17 GLU CB . 34866 1 142 . 1 . 1 19 19 GLU CG C 13 34.191 0.074 . . . . . . A 17 GLU CG . 34866 1 143 . 1 . 1 19 19 GLU N N 15 119.207 0.086 . . . . . . A 17 GLU N . 34866 1 144 . 1 . 1 20 20 GLN H H 1 7.721 0.007 . . . . . . A 18 GLN H . 34866 1 145 . 1 . 1 20 20 GLN HA H 1 4.054 0.004 . . . . . . A 18 GLN HA . 34866 1 146 . 1 . 1 20 20 GLN HB2 H 1 2.171 0.025 . . . . . . A 18 GLN HB2 . 34866 1 147 . 1 . 1 20 20 GLN HB3 H 1 2.200 0.000 . . . . . . A 18 GLN HB3 . 34866 1 148 . 1 . 1 20 20 GLN HG2 H 1 2.344 0.004 . . . . . . A 18 GLN HG2 . 34866 1 149 . 1 . 1 20 20 GLN HG3 H 1 2.513 0.005 . . . . . . A 18 GLN HG3 . 34866 1 150 . 1 . 1 20 20 GLN CA C 13 56.193 0.026 . . . . . . A 18 GLN CA . 34866 1 151 . 1 . 1 20 20 GLN CB C 13 25.577 0.074 . . . . . . A 18 GLN CB . 34866 1 152 . 1 . 1 20 20 GLN N N 15 118.374 0.042 . . . . . . A 18 GLN N . 34866 1 153 . 1 . 1 21 21 GLN H H 1 8.037 0.005 . . . . . . A 19 GLN H . 34866 1 154 . 1 . 1 21 21 GLN HA H 1 4.164 0.002 . . . . . . A 19 GLN HA . 34866 1 155 . 1 . 1 21 21 GLN HB2 H 1 2.232 0.000 . . . . . . A 19 GLN HB2 . 34866 1 156 . 1 . 1 21 21 GLN HB3 H 1 2.180 0.000 . . . . . . A 19 GLN HB3 . 34866 1 157 . 1 . 1 21 21 GLN HG2 H 1 2.518 0.000 . . . . . . A 19 GLN HG2 . 34866 1 158 . 1 . 1 21 21 GLN HE21 H 1 7.133 0.005 . . . . . . A 19 GLN HE21 . 34866 1 159 . 1 . 1 21 21 GLN HE22 H 1 6.588 0.005 . . . . . . A 19 GLN HE22 . 34866 1 160 . 1 . 1 21 21 GLN CA C 13 56.644 0.017 . . . . . . A 19 GLN CA . 34866 1 161 . 1 . 1 21 21 GLN CB C 13 25.894 0.011 . . . . . . A 19 GLN CB . 34866 1 162 . 1 . 1 21 21 GLN N N 15 109.082 0.020 . . . . . . A 19 GLN N . 34866 1 163 . 1 . 1 22 22 VAL H H 1 8.661 0.005 . . . . . . A 20 VAL H . 34866 1 164 . 1 . 1 22 22 VAL HA H 1 3.437 0.003 . . . . . . A 20 VAL HA . 34866 1 165 . 1 . 1 22 22 VAL HB H 1 2.169 0.005 . . . . . . A 20 VAL HB . 34866 1 166 . 1 . 1 22 22 VAL HG11 H 1 0.809 0.002 . . . . . . A 20 VAL HG11 . 34866 1 167 . 1 . 1 22 22 VAL HG12 H 1 0.809 0.002 . . . . . . A 20 VAL HG12 . 34866 1 168 . 1 . 1 22 22 VAL HG13 H 1 0.809 0.002 . . . . . . A 20 VAL HG13 . 34866 1 169 . 1 . 1 22 22 VAL HG21 H 1 0.997 0.007 . . . . . . A 20 VAL HG21 . 34866 1 170 . 1 . 1 22 22 VAL HG22 H 1 0.997 0.007 . . . . . . A 20 VAL HG22 . 34866 1 171 . 1 . 1 22 22 VAL HG23 H 1 0.997 0.007 . . . . . . A 20 VAL HG23 . 34866 1 172 . 1 . 1 22 22 VAL CA C 13 65.328 0.090 . . . . . . A 20 VAL CA . 34866 1 173 . 1 . 1 22 22 VAL CB C 13 28.841 0.045 . . . . . . A 20 VAL CB . 34866 1 174 . 1 . 1 22 22 VAL CG1 C 13 18.809 0.098 . . . . . . A 20 VAL CG1 . 34866 1 175 . 1 . 1 22 22 VAL CG2 C 13 22.307 0.019 . . . . . . A 20 VAL CG2 . 34866 1 176 . 1 . 1 22 22 VAL N N 15 120.088 0.006 . . . . . . A 20 VAL N . 34866 1 177 . 1 . 1 23 23 THR H H 1 8.002 0.004 . . . . . . A 21 THR H . 34866 1 178 . 1 . 1 23 23 THR HA H 1 3.893 0.005 . . . . . . A 21 THR HA . 34866 1 179 . 1 . 1 23 23 THR HB H 1 4.221 0.004 . . . . . . A 21 THR HB . 34866 1 180 . 1 . 1 23 23 THR HG21 H 1 1.238 0.002 . . . . . . A 21 THR HG21 . 34866 1 181 . 1 . 1 23 23 THR HG22 H 1 1.238 0.002 . . . . . . A 21 THR HG22 . 34866 1 182 . 1 . 1 23 23 THR HG23 H 1 1.238 0.002 . . . . . . A 21 THR HG23 . 34866 1 183 . 1 . 1 23 23 THR CA C 13 64.330 0.033 . . . . . . A 21 THR CA . 34866 1 184 . 1 . 1 23 23 THR CB C 13 66.052 0.064 . . . . . . A 21 THR CB . 34866 1 185 . 1 . 1 23 23 THR CG2 C 13 19.150 0.024 . . . . . . A 21 THR CG2 . 34866 1 186 . 1 . 1 23 23 THR N N 15 115.893 0.029 . . . . . . A 21 THR N . 34866 1 187 . 1 . 1 24 24 TYR H H 1 8.026 0.005 . . . . . . A 22 TYR H . 34866 1 188 . 1 . 1 24 24 TYR HA H 1 4.299 0.009 . . . . . . A 22 TYR HA . 34866 1 189 . 1 . 1 24 24 TYR HB2 H 1 3.129 0.010 . . . . . . A 22 TYR HB2 . 34866 1 190 . 1 . 1 24 24 TYR HB3 H 1 3.221 0.005 . . . . . . A 22 TYR HB3 . 34866 1 191 . 1 . 1 24 24 TYR HD1 H 1 7.081 0.018 . . . . . . A 22 TYR HD1 . 34866 1 192 . 1 . 1 24 24 TYR HD2 H 1 7.081 0.018 . . . . . . A 22 TYR HD2 . 34866 1 193 . 1 . 1 24 24 TYR HE1 H 1 6.759 0.006 . . . . . . A 22 TYR HE1 . 34866 1 194 . 1 . 1 24 24 TYR HE2 H 1 6.759 0.006 . . . . . . A 22 TYR HE2 . 34866 1 195 . 1 . 1 24 24 TYR CA C 13 58.297 0.030 . . . . . . A 22 TYR CA . 34866 1 196 . 1 . 1 24 24 TYR CB C 13 35.595 0.017 . . . . . . A 22 TYR CB . 34866 1 197 . 1 . 1 24 24 TYR N N 15 122.835 0.025 . . . . . . A 22 TYR N . 34866 1 198 . 1 . 1 25 25 LEU H H 1 8.805 0.005 . . . . . . A 23 LEU H . 34866 1 199 . 1 . 1 25 25 LEU HA H 1 3.849 0.006 . . . . . . A 23 LEU HA . 34866 1 200 . 1 . 1 25 25 LEU HB2 H 1 1.273 0.006 . . . . . . A 23 LEU HB2 . 34866 1 201 . 1 . 1 25 25 LEU HB3 H 1 1.457 0.004 . . . . . . A 23 LEU HB3 . 34866 1 202 . 1 . 1 25 25 LEU HD11 H 1 0.917 0.003 . . . . . . A 23 LEU HD11 . 34866 1 203 . 1 . 1 25 25 LEU HD12 H 1 0.917 0.003 . . . . . . A 23 LEU HD12 . 34866 1 204 . 1 . 1 25 25 LEU HD13 H 1 0.917 0.003 . . . . . . A 23 LEU HD13 . 34866 1 205 . 1 . 1 25 25 LEU HD21 H 1 1.022 0.001 . . . . . . A 23 LEU HD21 . 34866 1 206 . 1 . 1 25 25 LEU HD22 H 1 1.022 0.001 . . . . . . A 23 LEU HD22 . 34866 1 207 . 1 . 1 25 25 LEU HD23 H 1 1.022 0.001 . . . . . . A 23 LEU HD23 . 34866 1 208 . 1 . 1 25 25 LEU CA C 13 55.122 0.000 . . . . . . A 23 LEU CA . 34866 1 209 . 1 . 1 25 25 LEU CB C 13 40.584 0.000 . . . . . . A 23 LEU CB . 34866 1 210 . 1 . 1 25 25 LEU N N 15 121.094 0.026 . . . . . . A 23 LEU N . 34866 1 211 . 1 . 1 26 26 GLN H H 1 9.102 0.004 . . . . . . A 24 GLN H . 34866 1 212 . 1 . 1 26 26 GLN HA H 1 3.920 0.007 . . . . . . A 24 GLN HA . 34866 1 213 . 1 . 1 26 26 GLN HB2 H 1 2.267 0.007 . . . . . . A 24 GLN HB2 . 34866 1 214 . 1 . 1 26 26 GLN HB3 H 1 1.955 0.001 . . . . . . A 24 GLN HB3 . 34866 1 215 . 1 . 1 26 26 GLN HG2 H 1 2.619 0.002 . . . . . . A 24 GLN HG2 . 34866 1 216 . 1 . 1 26 26 GLN HE21 H 1 6.705 0.005 . . . . . . A 24 GLN HE21 . 34866 1 217 . 1 . 1 26 26 GLN HE22 H 1 7.145 0.005 . . . . . . A 24 GLN HE22 . 34866 1 218 . 1 . 1 26 26 GLN CA C 13 56.741 0.046 . . . . . . A 24 GLN CA . 34866 1 219 . 1 . 1 26 26 GLN CB C 13 25.466 0.039 . . . . . . A 24 GLN CB . 34866 1 220 . 1 . 1 26 26 GLN CG C 13 32.221 0.031 . . . . . . A 24 GLN CG . 34866 1 221 . 1 . 1 26 26 GLN N N 15 117.934 2.506 . . . . . . A 24 GLN N . 34866 1 222 . 1 . 1 26 26 GLN NE2 N 15 110.409 0.034 . . . . . . A 24 GLN NE2 . 34866 1 223 . 1 . 1 27 27 ALA H H 1 7.579 0.004 . . . . . . A 25 ALA H . 34866 1 224 . 1 . 1 27 27 ALA HA H 1 4.186 0.005 . . . . . . A 25 ALA HA . 34866 1 225 . 1 . 1 27 27 ALA HB1 H 1 1.450 0.006 . . . . . . A 25 ALA HB1 . 34866 1 226 . 1 . 1 27 27 ALA HB2 H 1 1.450 0.006 . . . . . . A 25 ALA HB2 . 34866 1 227 . 1 . 1 27 27 ALA HB3 H 1 1.450 0.006 . . . . . . A 25 ALA HB3 . 34866 1 228 . 1 . 1 27 27 ALA CA C 13 52.171 0.036 . . . . . . A 25 ALA CA . 34866 1 229 . 1 . 1 27 27 ALA CB C 13 14.788 0.061 . . . . . . A 25 ALA CB . 34866 1 230 . 1 . 1 27 27 ALA N N 15 122.156 0.020 . . . . . . A 25 ALA N . 34866 1 231 . 1 . 1 28 28 LYS HA H 1 4.038 0.000 . . . . . . A 26 LYS HA . 34866 1 232 . 1 . 1 28 28 LYS HB2 H 1 1.655 0.000 . . . . . . A 26 LYS HB2 . 34866 1 233 . 1 . 1 28 28 LYS HB3 H 1 1.783 0.000 . . . . . . A 26 LYS HB3 . 34866 1 234 . 1 . 1 28 28 LYS HG2 H 1 1.294 0.000 . . . . . . A 26 LYS HG2 . 34866 1 235 . 1 . 1 28 28 LYS HG3 H 1 1.443 0.000 . . . . . . A 26 LYS HG3 . 34866 1 236 . 1 . 1 28 28 LYS HD2 H 1 2.086 0.000 . . . . . . A 26 LYS HD2 . 34866 1 237 . 1 . 1 29 29 VAL H H 1 8.513 0.003 . . . . . . A 27 VAL H . 34866 1 238 . 1 . 1 29 29 VAL HA H 1 3.344 0.004 . . . . . . A 27 VAL HA . 34866 1 239 . 1 . 1 29 29 VAL HB H 1 2.087 0.004 . . . . . . A 27 VAL HB . 34866 1 240 . 1 . 1 29 29 VAL HG11 H 1 0.812 0.001 . . . . . . A 27 VAL HG11 . 34866 1 241 . 1 . 1 29 29 VAL HG12 H 1 0.812 0.001 . . . . . . A 27 VAL HG12 . 34866 1 242 . 1 . 1 29 29 VAL HG13 H 1 0.812 0.001 . . . . . . A 27 VAL HG13 . 34866 1 243 . 1 . 1 29 29 VAL HG21 H 1 0.967 0.003 . . . . . . A 27 VAL HG21 . 34866 1 244 . 1 . 1 29 29 VAL HG22 H 1 0.967 0.003 . . . . . . A 27 VAL HG22 . 34866 1 245 . 1 . 1 29 29 VAL HG23 H 1 0.967 0.003 . . . . . . A 27 VAL HG23 . 34866 1 246 . 1 . 1 29 29 VAL CA C 13 64.806 0.056 . . . . . . A 27 VAL CA . 34866 1 247 . 1 . 1 29 29 VAL CB C 13 29.060 0.090 . . . . . . A 27 VAL CB . 34866 1 248 . 1 . 1 29 29 VAL CG1 C 13 22.403 0.005 . . . . . . A 27 VAL CG1 . 34866 1 249 . 1 . 1 29 29 VAL CG2 C 13 19.077 0.025 . . . . . . A 27 VAL CG2 . 34866 1 250 . 1 . 1 29 29 VAL N N 15 119.074 0.022 . . . . . . A 27 VAL N . 34866 1 251 . 1 . 1 30 30 ALA H H 1 7.816 0.009 . . . . . . A 28 ALA H . 34866 1 252 . 1 . 1 30 30 ALA HA H 1 4.124 0.003 . . . . . . A 28 ALA HA . 34866 1 253 . 1 . 1 30 30 ALA HB1 H 1 1.445 0.005 . . . . . . A 28 ALA HB1 . 34866 1 254 . 1 . 1 30 30 ALA HB2 H 1 1.445 0.005 . . . . . . A 28 ALA HB2 . 34866 1 255 . 1 . 1 30 30 ALA HB3 H 1 1.445 0.005 . . . . . . A 28 ALA HB3 . 34866 1 256 . 1 . 1 30 30 ALA CA C 13 52.307 0.043 . . . . . . A 28 ALA CA . 34866 1 257 . 1 . 1 30 30 ALA CB C 13 15.142 0.074 . . . . . . A 28 ALA CB . 34866 1 258 . 1 . 1 30 30 ALA N N 15 119.624 0.076 . . . . . . A 28 ALA N . 34866 1 259 . 1 . 1 31 31 TYR H H 1 7.764 0.007 . . . . . . A 29 TYR H . 34866 1 260 . 1 . 1 31 31 TYR HA H 1 4.212 0.001 . . . . . . A 29 TYR HA . 34866 1 261 . 1 . 1 31 31 TYR HB2 H 1 3.160 0.003 . . . . . . A 29 TYR HB2 . 34866 1 262 . 1 . 1 31 31 TYR HB3 H 1 3.094 0.002 . . . . . . A 29 TYR HB3 . 34866 1 263 . 1 . 1 31 31 TYR HD1 H 1 7.043 0.007 . . . . . . A 29 TYR HD1 . 34866 1 264 . 1 . 1 31 31 TYR HD2 H 1 7.043 0.007 . . . . . . A 29 TYR HD2 . 34866 1 265 . 1 . 1 31 31 TYR HE1 H 1 6.760 0.000 . . . . . . A 29 TYR HE1 . 34866 1 266 . 1 . 1 31 31 TYR HE2 H 1 6.760 0.000 . . . . . . A 29 TYR HE2 . 34866 1 267 . 1 . 1 31 31 TYR CA C 13 58.143 0.028 . . . . . . A 29 TYR CA . 34866 1 268 . 1 . 1 31 31 TYR CB C 13 35.626 0.041 . . . . . . A 29 TYR CB . 34866 1 269 . 1 . 1 31 31 TYR N N 15 118.348 0.052 . . . . . . A 29 TYR N . 34866 1 270 . 1 . 1 32 32 LEU HA H 1 3.837 0.007 . . . . . . A 30 LEU HA . 34866 1 271 . 1 . 1 32 32 LEU HB2 H 1 1.374 0.000 . . . . . . A 30 LEU HB2 . 34866 1 272 . 1 . 1 32 32 LEU HB3 H 1 1.438 0.000 . . . . . . A 30 LEU HB3 . 34866 1 273 . 1 . 1 32 32 LEU HD11 H 1 0.812 0.000 . . . . . . A 30 LEU HD11 . 34866 1 274 . 1 . 1 32 32 LEU HD12 H 1 0.812 0.000 . . . . . . A 30 LEU HD12 . 34866 1 275 . 1 . 1 32 32 LEU HD13 H 1 0.812 0.000 . . . . . . A 30 LEU HD13 . 34866 1 276 . 1 . 1 32 32 LEU HD21 H 1 0.913 0.000 . . . . . . A 30 LEU HD21 . 34866 1 277 . 1 . 1 32 32 LEU HD22 H 1 0.913 0.000 . . . . . . A 30 LEU HD22 . 34866 1 278 . 1 . 1 32 32 LEU HD23 H 1 0.913 0.000 . . . . . . A 30 LEU HD23 . 34866 1 279 . 1 . 1 32 32 LEU CA C 13 54.815 0.000 . . . . . . A 30 LEU CA . 34866 1 280 . 1 . 1 32 32 LEU CB C 13 40.605 0.000 . . . . . . A 30 LEU CB . 34866 1 281 . 1 . 1 33 33 GLU H H 1 8.767 0.005 . . . . . . A 31 GLU H . 34866 1 282 . 1 . 1 33 33 GLU HA H 1 3.966 0.006 . . . . . . A 31 GLU HA . 34866 1 283 . 1 . 1 33 33 GLU HB2 H 1 2.112 0.003 . . . . . . A 31 GLU HB2 . 34866 1 284 . 1 . 1 33 33 GLU HB3 H 1 1.999 0.000 . . . . . . A 31 GLU HB3 . 34866 1 285 . 1 . 1 33 33 GLU HG2 H 1 2.529 0.000 . . . . . . A 31 GLU HG2 . 34866 1 286 . 1 . 1 33 33 GLU CA C 13 56.567 0.000 . . . . . . A 31 GLU CA . 34866 1 287 . 1 . 1 33 33 GLU CB C 13 26.930 0.008 . . . . . . A 31 GLU CB . 34866 1 288 . 1 . 1 33 33 GLU N N 15 118.350 0.025 . . . . . . A 31 GLU N . 34866 1 289 . 1 . 1 34 34 LYS H H 1 8.424 0.009 . . . . . . A 32 LYS H . 34866 1 290 . 1 . 1 34 34 LYS HA H 1 4.304 0.000 . . . . . . A 32 LYS HA . 34866 1 291 . 1 . 1 34 34 LYS HB2 H 1 2.008 0.000 . . . . . . A 32 LYS HB2 . 34866 1 292 . 1 . 1 34 34 LYS HB3 H 1 2.120 0.000 . . . . . . A 32 LYS HB3 . 34866 1 293 . 1 . 1 34 34 LYS CA C 13 56.458 0.000 . . . . . . A 32 LYS CA . 34866 1 294 . 1 . 1 34 34 LYS CB C 13 29.280 0.000 . . . . . . A 32 LYS CB . 34866 1 295 . 1 . 1 34 34 LYS N N 15 121.177 0.028 . . . . . . A 32 LYS N . 34866 1 296 . 1 . 1 35 35 LEU H H 1 7.691 0.004 . . . . . . A 33 LEU H . 34866 1 297 . 1 . 1 35 35 LEU HA H 1 3.997 0.017 . . . . . . A 33 LEU HA . 34866 1 298 . 1 . 1 35 35 LEU HB2 H 1 1.594 0.000 . . . . . . A 33 LEU HB2 . 34866 1 299 . 1 . 1 35 35 LEU HB3 H 1 1.892 0.000 . . . . . . A 33 LEU HB3 . 34866 1 300 . 1 . 1 35 35 LEU HG H 1 1.398 0.019 . . . . . . A 33 LEU HG . 34866 1 301 . 1 . 1 35 35 LEU HD11 H 1 0.817 0.000 . . . . . . A 33 LEU HD11 . 34866 1 302 . 1 . 1 35 35 LEU HD12 H 1 0.817 0.000 . . . . . . A 33 LEU HD12 . 34866 1 303 . 1 . 1 35 35 LEU HD13 H 1 0.817 0.000 . . . . . . A 33 LEU HD13 . 34866 1 304 . 1 . 1 35 35 LEU HD21 H 1 0.907 0.000 . . . . . . A 33 LEU HD21 . 34866 1 305 . 1 . 1 35 35 LEU HD22 H 1 0.907 0.000 . . . . . . A 33 LEU HD22 . 34866 1 306 . 1 . 1 35 35 LEU HD23 H 1 0.907 0.000 . . . . . . A 33 LEU HD23 . 34866 1 307 . 1 . 1 35 35 LEU CA C 13 54.302 0.023 . . . . . . A 33 LEU CA . 34866 1 308 . 1 . 1 35 35 LEU CB C 13 39.129 0.027 . . . . . . A 33 LEU CB . 34866 1 309 . 1 . 1 35 35 LEU CG C 13 23.873 0.072 . . . . . . A 33 LEU CG . 34866 1 310 . 1 . 1 35 35 LEU CD1 C 13 20.828 0.029 . . . . . . A 33 LEU CD1 . 34866 1 311 . 1 . 1 35 35 LEU CD2 C 13 22.028 0.024 . . . . . . A 33 LEU CD2 . 34866 1 312 . 1 . 1 35 35 LEU N N 15 119.152 0.039 . . . . . . A 33 LEU N . 34866 1 313 . 1 . 1 36 36 ASP H H 1 8.013 0.004 . . . . . . A 34 ASP H . 34866 1 314 . 1 . 1 36 36 ASP HA H 1 4.358 0.015 . . . . . . A 34 ASP HA . 34866 1 315 . 1 . 1 36 36 ASP HB2 H 1 2.612 0.002 . . . . . . A 34 ASP HB2 . 34866 1 316 . 1 . 1 36 36 ASP CA C 13 53.730 0.048 . . . . . . A 34 ASP CA . 34866 1 317 . 1 . 1 36 36 ASP CB C 13 38.782 0.073 . . . . . . A 34 ASP CB . 34866 1 318 . 1 . 1 36 36 ASP N N 15 119.253 0.046 . . . . . . A 34 ASP N . 34866 1 319 . 1 . 1 37 37 ALA H H 1 7.911 0.009 . . . . . . A 35 ALA H . 34866 1 320 . 1 . 1 37 37 ALA HA H 1 4.056 0.001 . . . . . . A 35 ALA HA . 34866 1 321 . 1 . 1 37 37 ALA HB1 H 1 1.395 0.001 . . . . . . A 35 ALA HB1 . 34866 1 322 . 1 . 1 37 37 ALA HB2 H 1 1.395 0.001 . . . . . . A 35 ALA HB2 . 34866 1 323 . 1 . 1 37 37 ALA HB3 H 1 1.395 0.001 . . . . . . A 35 ALA HB3 . 34866 1 324 . 1 . 1 37 37 ALA CA C 13 51.559 0.042 . . . . . . A 35 ALA CA . 34866 1 325 . 1 . 1 37 37 ALA CB C 13 15.708 0.042 . . . . . . A 35 ALA CB . 34866 1 326 . 1 . 1 37 37 ALA N N 15 120.990 0.039 . . . . . . A 35 ALA N . 34866 1 327 . 1 . 1 38 38 LEU HB2 H 1 1.736 0.005 . . . . . . A 36 LEU HB2 . 34866 1 328 . 1 . 1 38 38 LEU HB3 H 1 1.838 0.000 . . . . . . A 36 LEU HB3 . 34866 1 329 . 1 . 1 39 39 ILE H H 1 7.914 0.006 . . . . . . A 37 ILE H . 34866 1 330 . 1 . 1 39 39 ILE HA H 1 3.829 0.002 . . . . . . A 37 ILE HA . 34866 1 331 . 1 . 1 39 39 ILE HB H 1 1.931 0.003 . . . . . . A 37 ILE HB . 34866 1 332 . 1 . 1 39 39 ILE HG12 H 1 1.527 0.001 . . . . . . A 37 ILE HG12 . 34866 1 333 . 1 . 1 39 39 ILE HG13 H 1 1.159 0.002 . . . . . . A 37 ILE HG13 . 34866 1 334 . 1 . 1 39 39 ILE HG21 H 1 0.836 0.001 . . . . . . A 37 ILE HG21 . 34866 1 335 . 1 . 1 39 39 ILE HG22 H 1 0.836 0.001 . . . . . . A 37 ILE HG22 . 34866 1 336 . 1 . 1 39 39 ILE HG23 H 1 0.836 0.001 . . . . . . A 37 ILE HG23 . 34866 1 337 . 1 . 1 39 39 ILE HD11 H 1 0.789 0.002 . . . . . . A 37 ILE HD11 . 34866 1 338 . 1 . 1 39 39 ILE HD12 H 1 0.789 0.002 . . . . . . A 37 ILE HD12 . 34866 1 339 . 1 . 1 39 39 ILE HD13 H 1 0.789 0.002 . . . . . . A 37 ILE HD13 . 34866 1 340 . 1 . 1 39 39 ILE CA C 13 60.494 0.029 . . . . . . A 37 ILE CA . 34866 1 341 . 1 . 1 39 39 ILE CB C 13 35.302 0.019 . . . . . . A 37 ILE CB . 34866 1 342 . 1 . 1 39 39 ILE CG1 C 13 25.565 0.036 . . . . . . A 37 ILE CG1 . 34866 1 343 . 1 . 1 39 39 ILE CG2 C 13 14.827 0.018 . . . . . . A 37 ILE CG2 . 34866 1 344 . 1 . 1 39 39 ILE CD1 C 13 10.316 0.028 . . . . . . A 37 ILE CD1 . 34866 1 345 . 1 . 1 39 39 ILE N N 15 120.905 0.078 . . . . . . A 37 ILE N . 34866 1 346 . 1 . 1 40 40 GLN H H 1 8.276 0.007 . . . . . . A 38 GLN H . 34866 1 347 . 1 . 1 40 40 GLN HA H 1 4.132 0.007 . . . . . . A 38 GLN HA . 34866 1 348 . 1 . 1 40 40 GLN HB2 H 1 1.940 0.002 . . . . . . A 38 GLN HB2 . 34866 1 349 . 1 . 1 40 40 GLN HB3 H 1 2.100 0.007 . . . . . . A 38 GLN HB3 . 34866 1 350 . 1 . 1 40 40 GLN HG2 H 1 2.386 0.004 . . . . . . A 38 GLN HG2 . 34866 1 351 . 1 . 1 40 40 GLN HE21 H 1 6.744 0.004 . . . . . . A 38 GLN HE21 . 34866 1 352 . 1 . 1 40 40 GLN HE22 H 1 7.613 0.004 . . . . . . A 38 GLN HE22 . 34866 1 353 . 1 . 1 40 40 GLN CA C 13 54.385 0.028 . . . . . . A 38 GLN CA . 34866 1 354 . 1 . 1 40 40 GLN CB C 13 25.868 0.061 . . . . . . A 38 GLN CB . 34866 1 355 . 1 . 1 40 40 GLN CG C 13 30.899 0.052 . . . . . . A 38 GLN CG . 34866 1 356 . 1 . 1 40 40 GLN N N 15 118.933 2.716 . . . . . . A 38 GLN N . 34866 1 357 . 1 . 1 40 40 GLN NE2 N 15 113.168 0.012 . . . . . . A 38 GLN NE2 . 34866 1 358 . 1 . 1 41 41 SER H H 1 7.993 0.004 . . . . . . A 39 SER H . 34866 1 359 . 1 . 1 41 41 SER HA H 1 4.281 0.005 . . . . . . A 39 SER HA . 34866 1 360 . 1 . 1 41 41 SER HB2 H 1 3.893 0.004 . . . . . . A 39 SER HB2 . 34866 1 361 . 1 . 1 41 41 SER CA C 13 56.857 0.025 . . . . . . A 39 SER CA . 34866 1 362 . 1 . 1 41 41 SER CB C 13 60.794 0.046 . . . . . . A 39 SER CB . 34866 1 363 . 1 . 1 41 41 SER N N 15 115.279 0.040 . . . . . . A 39 SER N . 34866 1 364 . 1 . 1 42 42 LYS H H 1 7.820 0.009 . . . . . . A 40 LYS H . 34866 1 365 . 1 . 1 42 42 LYS HA H 1 4.248 0.000 . . . . . . A 40 LYS HA . 34866 1 366 . 1 . 1 42 42 LYS HB2 H 1 1.647 0.000 . . . . . . A 40 LYS HB2 . 34866 1 367 . 1 . 1 42 42 LYS HB3 H 1 1.745 0.000 . . . . . . A 40 LYS HB3 . 34866 1 368 . 1 . 1 42 42 LYS CA C 13 54.031 0.042 . . . . . . A 40 LYS CA . 34866 1 369 . 1 . 1 42 42 LYS CB C 13 29.986 0.000 . . . . . . A 40 LYS CB . 34866 1 370 . 1 . 1 42 42 LYS CG C 13 21.173 0.000 . . . . . . A 40 LYS CG . 34866 1 371 . 1 . 1 42 42 LYS CD C 13 24.348 0.023 . . . . . . A 40 LYS CD . 34866 1 372 . 1 . 1 42 42 LYS CE C 13 39.201 0.000 . . . . . . A 40 LYS CE . 34866 1 373 . 1 . 1 42 42 LYS N N 15 121.688 0.025 . . . . . . A 40 LYS N . 34866 1 374 . 1 . 1 43 43 LYS H H 1 7.925 0.005 . . . . . . A 41 LYS H . 34866 1 375 . 1 . 1 43 43 LYS HA H 1 4.274 0.000 . . . . . . A 41 LYS HA . 34866 1 376 . 1 . 1 43 43 LYS HB2 H 1 1.788 0.000 . . . . . . A 41 LYS HB2 . 34866 1 377 . 1 . 1 43 43 LYS HB3 H 1 1.706 0.000 . . . . . . A 41 LYS HB3 . 34866 1 378 . 1 . 1 43 43 LYS CA C 13 53.553 0.000 . . . . . . A 41 LYS CA . 34866 1 379 . 1 . 1 43 43 LYS CB C 13 30.414 0.000 . . . . . . A 41 LYS CB . 34866 1 380 . 1 . 1 43 43 LYS N N 15 120.643 0.025 . . . . . . A 41 LYS N . 34866 1 381 . 1 . 1 44 44 SER H H 1 8.167 0.008 . . . . . . A 42 SER H . 34866 1 382 . 1 . 1 44 44 SER HA H 1 4.686 0.008 . . . . . . A 42 SER HA . 34866 1 383 . 1 . 1 44 44 SER HB2 H 1 3.781 0.000 . . . . . . A 42 SER HB2 . 34866 1 384 . 1 . 1 44 44 SER HB3 H 1 4.273 0.000 . . . . . . A 42 SER HB3 . 34866 1 385 . 1 . 1 44 44 SER CA C 13 53.804 0.000 . . . . . . A 42 SER CA . 34866 1 386 . 1 . 1 44 44 SER CB C 13 60.512 0.000 . . . . . . A 42 SER CB . 34866 1 387 . 1 . 1 44 44 SER N N 15 117.869 0.052 . . . . . . A 42 SER N . 34866 1 388 . 1 . 1 45 45 PRO HA H 1 4.456 0.003 . . . . . . A 43 PRO HA . 34866 1 389 . 1 . 1 45 45 PRO HB2 H 1 2.255 0.004 . . . . . . A 43 PRO HB2 . 34866 1 390 . 1 . 1 45 45 PRO HB3 H 1 1.879 0.004 . . . . . . A 43 PRO HB3 . 34866 1 391 . 1 . 1 45 45 PRO HG2 H 1 1.964 0.006 . . . . . . A 43 PRO HG2 . 34866 1 392 . 1 . 1 45 45 PRO HD2 H 1 3.669 0.001 . . . . . . A 43 PRO HD2 . 34866 1 393 . 1 . 1 45 45 PRO HD3 H 1 3.758 0.010 . . . . . . A 43 PRO HD3 . 34866 1 394 . 1 . 1 45 45 PRO CA C 13 60.574 0.016 . . . . . . A 43 PRO CA . 34866 1 395 . 1 . 1 45 45 PRO CB C 13 29.460 0.029 . . . . . . A 43 PRO CB . 34866 1 396 . 1 . 1 45 45 PRO CG C 13 24.622 0.017 . . . . . . A 43 PRO CG . 34866 1 397 . 1 . 1 45 45 PRO CD C 13 48.098 0.033 . . . . . . A 43 PRO CD . 34866 1 398 . 1 . 1 46 46 THR H H 1 8.170 0.009 . . . . . . A 44 THR H . 34866 1 399 . 1 . 1 46 46 THR HA H 1 4.201 0.003 . . . . . . A 44 THR HA . 34866 1 400 . 1 . 1 46 46 THR HB H 1 4.088 0.001 . . . . . . A 44 THR HB . 34866 1 401 . 1 . 1 46 46 THR HG21 H 1 1.152 0.002 . . . . . . A 44 THR HG21 . 34866 1 402 . 1 . 1 46 46 THR HG22 H 1 1.152 0.002 . . . . . . A 44 THR HG22 . 34866 1 403 . 1 . 1 46 46 THR HG23 H 1 1.152 0.002 . . . . . . A 44 THR HG23 . 34866 1 404 . 1 . 1 46 46 THR CA C 13 59.422 0.044 . . . . . . A 44 THR CA . 34866 1 405 . 1 . 1 46 46 THR CB C 13 67.090 0.031 . . . . . . A 44 THR CB . 34866 1 406 . 1 . 1 46 46 THR CG2 C 13 19.032 0.022 . . . . . . A 44 THR CG2 . 34866 1 407 . 1 . 1 46 46 THR N N 15 115.001 0.014 . . . . . . A 44 THR N . 34866 1 408 . 1 . 1 47 47 LYS H H 1 8.263 0.010 . . . . . . A 45 LYS H . 34866 1 409 . 1 . 1 47 47 LYS HA H 1 4.261 0.000 . . . . . . A 45 LYS HA . 34866 1 410 . 1 . 1 47 47 LYS HB2 H 1 1.670 0.000 . . . . . . A 45 LYS HB2 . 34866 1 411 . 1 . 1 47 47 LYS HB3 H 1 1.761 0.000 . . . . . . A 45 LYS HB3 . 34866 1 412 . 1 . 1 47 47 LYS CA C 13 53.496 0.000 . . . . . . A 45 LYS CA . 34866 1 413 . 1 . 1 47 47 LYS CB C 13 30.330 0.000 . . . . . . A 45 LYS CB . 34866 1 414 . 1 . 1 47 47 LYS N N 15 124.388 0.101 . . . . . . A 45 LYS N . 34866 1 415 . 1 . 1 48 48 LYS HA H 1 4.255 0.001 . . . . . . A 46 LYS HA . 34866 1 416 . 1 . 1 48 48 LYS HB2 H 1 1.657 0.003 . . . . . . A 46 LYS HB2 . 34866 1 417 . 1 . 1 48 48 LYS HB3 H 1 1.743 0.000 . . . . . . A 46 LYS HB3 . 34866 1 418 . 1 . 1 48 48 LYS CA C 13 53.467 0.000 . . . . . . A 46 LYS CA . 34866 1 419 . 1 . 1 48 48 LYS CB C 13 30.303 0.000 . . . . . . A 46 LYS CB . 34866 1 420 . 1 . 1 49 49 LYS H H 1 8.236 0.012 . . . . . . A 47 LYS H . 34866 1 421 . 1 . 1 49 49 LYS HA H 1 4.217 0.010 . . . . . . A 47 LYS HA . 34866 1 422 . 1 . 1 49 49 LYS HB2 H 1 1.702 0.001 . . . . . . A 47 LYS HB2 . 34866 1 423 . 1 . 1 49 49 LYS CA C 13 53.527 0.000 . . . . . . A 47 LYS CA . 34866 1 424 . 1 . 1 49 49 LYS CB C 13 30.524 0.001 . . . . . . A 47 LYS CB . 34866 1 425 . 1 . 1 49 49 LYS N N 15 123.201 0.029 . . . . . . A 47 LYS N . 34866 1 426 . 1 . 1 50 50 ARG H H 1 8.326 0.010 . . . . . . A 48 ARG H . 34866 1 427 . 1 . 1 50 50 ARG HA H 1 4.249 0.004 . . . . . . A 48 ARG HA . 34866 1 428 . 1 . 1 50 50 ARG HB2 H 1 1.795 0.006 . . . . . . A 48 ARG HB2 . 34866 1 429 . 1 . 1 50 50 ARG HB3 H 1 1.687 0.013 . . . . . . A 48 ARG HB3 . 34866 1 430 . 1 . 1 50 50 ARG HG2 H 1 1.580 0.000 . . . . . . A 48 ARG HG2 . 34866 1 431 . 1 . 1 50 50 ARG HD2 H 1 3.136 0.001 . . . . . . A 48 ARG HD2 . 34866 1 432 . 1 . 1 50 50 ARG CA C 13 53.507 0.026 . . . . . . A 48 ARG CA . 34866 1 433 . 1 . 1 50 50 ARG CB C 13 28.370 0.044 . . . . . . A 48 ARG CB . 34866 1 434 . 1 . 1 50 50 ARG CG C 13 24.362 0.069 . . . . . . A 48 ARG CG . 34866 1 435 . 1 . 1 50 50 ARG CD C 13 40.682 0.028 . . . . . . A 48 ARG CD . 34866 1 436 . 1 . 1 50 50 ARG N N 15 123.515 0.020 . . . . . . A 48 ARG N . 34866 1 437 . 1 . 1 51 51 LYS H H 1 7.892 0.009 . . . . . . A 49 LYS H . 34866 1 438 . 1 . 1 51 51 LYS HA H 1 4.031 0.000 . . . . . . A 49 LYS HA . 34866 1 439 . 1 . 1 51 51 LYS HB2 H 1 1.670 0.000 . . . . . . A 49 LYS HB2 . 34866 1 440 . 1 . 1 51 51 LYS CA C 13 55.314 0.000 . . . . . . A 49 LYS CA . 34866 1 441 . 1 . 1 51 51 LYS CB C 13 30.927 0.000 . . . . . . A 49 LYS CB . 34866 1 442 . 1 . 1 51 51 LYS N N 15 127.596 0.018 . . . . . . A 49 LYS N . 34866 1 stop_ save_