################################### # 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 34865 _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-15N HSQC' . . . 34865 1 2 '2D 1H-13C HSQC' . . . 34865 1 3 '3D HNCACB' . . . 34865 1 4 '3D HN(COCA)CB' . . . 34865 1 5 '3D 1H-15N TOCSY' . . . 34865 1 6 '3D 1H-13C NOESY' . . . 34865 1 7 '3D 1H-15N NOESY' . . . 34865 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 2 2 SER CA C 13 55.599 0.000 . . . . . . A 2 SER CA . 34865 1 2 . 1 . 1 2 2 SER CB C 13 61.238 0.000 . . . . . . A 2 SER CB . 34865 1 3 . 1 . 1 3 3 MET H H 1 8.505 0.003 . . . . . . A 3 MET H . 34865 1 4 . 1 . 1 3 3 MET HA H 1 4.438 0.014 . . . . . . A 3 MET HA . 34865 1 5 . 1 . 1 3 3 MET HB2 H 1 1.966 0.000 . . . . . . A 3 MET HB2 . 34865 1 6 . 1 . 1 3 3 MET CA C 13 52.751 0.009 . . . . . . A 3 MET CA . 34865 1 7 . 1 . 1 3 3 MET CB C 13 30.114 0.000 . . . . . . A 3 MET CB . 34865 1 8 . 1 . 1 3 3 MET N N 15 122.677 0.078 . . . . . . A 3 MET N . 34865 1 9 . 1 . 1 4 4 LYS H H 1 8.295 0.004 . . . . . . A 4 LYS H . 34865 1 10 . 1 . 1 4 4 LYS HA H 1 4.187 0.007 . . . . . . A 4 LYS HA . 34865 1 11 . 1 . 1 4 4 LYS HB2 H 1 1.639 0.007 . . . . . . A 4 LYS HB2 . 34865 1 12 . 1 . 1 4 4 LYS HB3 H 1 1.320 0.000 . . . . . . A 4 LYS HB3 . 34865 1 13 . 1 . 1 4 4 LYS CA C 13 53.790 0.004 . . . . . . A 4 LYS CA . 34865 1 14 . 1 . 1 4 4 LYS CB C 13 30.183 0.008 . . . . . . A 4 LYS CB . 34865 1 15 . 1 . 1 4 4 LYS N N 15 122.640 0.057 . . . . . . A 4 LYS N . 34865 1 16 . 1 . 1 5 5 ASN H H 1 8.315 0.005 . . . . . . A 5 ASN H . 34865 1 17 . 1 . 1 5 5 ASN HA H 1 4.598 0.019 . . . . . . A 5 ASN HA . 34865 1 18 . 1 . 1 5 5 ASN HB2 H 1 2.635 0.000 . . . . . . A 5 ASN HB2 . 34865 1 19 . 1 . 1 5 5 ASN HB3 H 1 2.753 0.000 . . . . . . A 5 ASN HB3 . 34865 1 20 . 1 . 1 5 5 ASN CA C 13 50.413 0.008 . . . . . . A 5 ASN CA . 34865 1 21 . 1 . 1 5 5 ASN CB C 13 36.092 0.000 . . . . . . A 5 ASN CB . 34865 1 22 . 1 . 1 5 5 ASN N N 15 119.342 0.056 . . . . . . A 5 ASN N . 34865 1 23 . 1 . 1 6 6 TYR H H 1 8.068 0.005 . . . . . . A 6 TYR H . 34865 1 24 . 1 . 1 6 6 TYR HA H 1 4.460 0.000 . . . . . . A 6 TYR HA . 34865 1 25 . 1 . 1 6 6 TYR HB2 H 1 2.908 0.000 . . . . . . A 6 TYR HB2 . 34865 1 26 . 1 . 1 6 6 TYR HB3 H 1 2.906 0.001 . . . . . . A 6 TYR HB3 . 34865 1 27 . 1 . 1 6 6 TYR HD1 H 1 7.030 0.000 . . . . . . A 6 TYR HD1 . 34865 1 28 . 1 . 1 6 6 TYR HD2 H 1 7.030 0.000 . . . . . . A 6 TYR HD2 . 34865 1 29 . 1 . 1 6 6 TYR HE1 H 1 6.753 0.001 . . . . . . A 6 TYR HE1 . 34865 1 30 . 1 . 1 6 6 TYR HE2 H 1 6.753 0.001 . . . . . . A 6 TYR HE2 . 34865 1 31 . 1 . 1 6 6 TYR CA C 13 55.195 0.005 . . . . . . A 6 TYR CA . 34865 1 32 . 1 . 1 6 6 TYR CB C 13 36.134 0.014 . . . . . . A 6 TYR CB . 34865 1 33 . 1 . 1 6 6 TYR N N 15 121.288 0.098 . . . . . . A 6 TYR N . 34865 1 34 . 1 . 1 7 7 GLN H H 1 8.148 0.005 . . . . . . A 7 GLN H . 34865 1 35 . 1 . 1 7 7 GLN HA H 1 4.489 0.007 . . . . . . A 7 GLN HA . 34865 1 36 . 1 . 1 7 7 GLN CA C 13 50.567 0.000 . . . . . . A 7 GLN CA . 34865 1 37 . 1 . 1 7 7 GLN CB C 13 26.791 0.000 . . . . . . A 7 GLN CB . 34865 1 38 . 1 . 1 7 7 GLN N N 15 124.394 0.052 . . . . . . A 7 GLN N . 34865 1 39 . 1 . 1 8 8 PRO HA H 1 4.249 0.000 . . . . . . A 8 PRO HA . 34865 1 40 . 1 . 1 8 8 PRO HB2 H 1 2.198 0.000 . . . . . . A 8 PRO HB2 . 34865 1 41 . 1 . 1 8 8 PRO HB3 H 1 1.800 0.000 . . . . . . A 8 PRO HB3 . 34865 1 42 . 1 . 1 8 8 PRO HG2 H 1 2.764 0.000 . . . . . . A 8 PRO HG2 . 34865 1 43 . 1 . 1 8 8 PRO HD2 H 1 3.529 0.001 . . . . . . A 8 PRO HD2 . 34865 1 44 . 1 . 1 8 8 PRO HD3 H 1 3.394 0.002 . . . . . . A 8 PRO HD3 . 34865 1 45 . 1 . 1 8 8 PRO CA C 13 60.483 0.000 . . . . . . A 8 PRO CA . 34865 1 46 . 1 . 1 8 8 PRO CB C 13 29.283 0.000 . . . . . . A 8 PRO CB . 34865 1 47 . 1 . 1 9 9 ASN H H 1 8.395 0.005 . . . . . . A 9 ASN H . 34865 1 48 . 1 . 1 9 9 ASN HA H 1 4.521 0.008 . . . . . . A 9 ASN HA . 34865 1 49 . 1 . 1 9 9 ASN HD21 H 1 7.572 0.005 . . . . . . A 9 ASN HD21 . 34865 1 50 . 1 . 1 9 9 ASN HD22 H 1 6.944 0.006 . . . . . . A 9 ASN HD22 . 34865 1 51 . 1 . 1 9 9 ASN CA C 13 51.230 0.000 . . . . . . A 9 ASN CA . 34865 1 52 . 1 . 1 9 9 ASN CB C 13 35.764 0.000 . . . . . . A 9 ASN CB . 34865 1 53 . 1 . 1 9 9 ASN N N 15 117.810 0.023 . . . . . . A 9 ASN N . 34865 1 54 . 1 . 1 9 9 ASN ND2 N 15 112.545 0.005 . . . . . . A 9 ASN ND2 . 34865 1 55 . 1 . 1 10 10 LYS H H 1 8.226 0.011 . . . . . . A 10 LYS H . 34865 1 56 . 1 . 1 10 10 LYS CA C 13 56.389 0.000 . . . . . . A 10 LYS CA . 34865 1 57 . 1 . 1 10 10 LYS CB C 13 30.062 0.000 . . . . . . A 10 LYS CB . 34865 1 58 . 1 . 1 10 10 LYS N N 15 120.318 0.034 . . . . . . A 10 LYS N . 34865 1 59 . 1 . 1 11 11 ASP H H 1 8.201 0.012 . . . . . . A 11 ASP H . 34865 1 60 . 1 . 1 11 11 ASP HA H 1 4.366 0.006 . . . . . . A 11 ASP HA . 34865 1 61 . 1 . 1 11 11 ASP HB2 H 1 2.635 0.000 . . . . . . A 11 ASP HB2 . 34865 1 62 . 1 . 1 11 11 ASP CA C 13 53.889 0.015 . . . . . . A 11 ASP CA . 34865 1 63 . 1 . 1 11 11 ASP CB C 13 37.361 0.001 . . . . . . A 11 ASP CB . 34865 1 64 . 1 . 1 11 11 ASP N N 15 118.887 0.033 . . . . . . A 11 ASP N . 34865 1 65 . 1 . 1 12 12 LEU H H 1 7.708 0.008 . . . . . . A 12 LEU H . 34865 1 66 . 1 . 1 12 12 LEU HA H 1 4.042 0.007 . . . . . . A 12 LEU HA . 34865 1 67 . 1 . 1 12 12 LEU HB2 H 1 1.653 0.000 . . . . . . A 12 LEU HB2 . 34865 1 68 . 1 . 1 12 12 LEU HB3 H 1 1.784 0.000 . . . . . . A 12 LEU HB3 . 34865 1 69 . 1 . 1 12 12 LEU HG H 1 1.450 0.000 . . . . . . A 12 LEU HG . 34865 1 70 . 1 . 1 12 12 LEU HD11 H 1 0.857 0.000 . . . . . . A 12 LEU HD11 . 34865 1 71 . 1 . 1 12 12 LEU HD12 H 1 0.857 0.000 . . . . . . A 12 LEU HD12 . 34865 1 72 . 1 . 1 12 12 LEU HD13 H 1 0.857 0.000 . . . . . . A 12 LEU HD13 . 34865 1 73 . 1 . 1 12 12 LEU CA C 13 54.933 0.019 . . . . . . A 12 LEU CA . 34865 1 74 . 1 . 1 12 12 LEU CB C 13 39.206 0.054 . . . . . . A 12 LEU CB . 34865 1 75 . 1 . 1 12 12 LEU N N 15 120.622 0.038 . . . . . . A 12 LEU N . 34865 1 76 . 1 . 1 13 13 LEU H H 1 8.003 0.006 . . . . . . A 13 LEU H . 34865 1 77 . 1 . 1 13 13 LEU HA H 1 3.976 0.004 . . . . . . A 13 LEU HA . 34865 1 78 . 1 . 1 13 13 LEU HB2 H 1 1.818 0.000 . . . . . . A 13 LEU HB2 . 34865 1 79 . 1 . 1 13 13 LEU CA C 13 55.531 0.000 . . . . . . A 13 LEU CA . 34865 1 80 . 1 . 1 13 13 LEU CB C 13 38.259 0.000 . . . . . . A 13 LEU CB . 34865 1 81 . 1 . 1 13 13 LEU N N 15 118.053 0.042 . . . . . . A 13 LEU N . 34865 1 82 . 1 . 1 14 14 GLU H H 1 7.809 0.017 . . . . . . A 14 GLU H . 34865 1 83 . 1 . 1 14 14 GLU HA H 1 4.048 0.003 . . . . . . A 14 GLU HA . 34865 1 84 . 1 . 1 14 14 GLU HB2 H 1 2.101 0.000 . . . . . . A 14 GLU HB2 . 34865 1 85 . 1 . 1 14 14 GLU HG2 H 1 2.404 0.000 . . . . . . A 14 GLU HG2 . 34865 1 86 . 1 . 1 14 14 GLU CA C 13 56.704 0.000 . . . . . . A 14 GLU CA . 34865 1 87 . 1 . 1 14 14 GLU CB C 13 26.550 0.000 . . . . . . A 14 GLU CB . 34865 1 88 . 1 . 1 14 14 GLU N N 15 119.159 0.027 . . . . . . A 14 GLU N . 34865 1 89 . 1 . 1 15 15 ILE H H 1 7.968 0.008 . . . . . . A 15 ILE H . 34865 1 90 . 1 . 1 15 15 ILE HA H 1 3.730 0.002 . . . . . . A 15 ILE HA . 34865 1 91 . 1 . 1 15 15 ILE HB H 1 1.948 0.000 . . . . . . A 15 ILE HB . 34865 1 92 . 1 . 1 15 15 ILE CA C 13 61.905 0.000 . . . . . . A 15 ILE CA . 34865 1 93 . 1 . 1 15 15 ILE CB C 13 35.435 0.000 . . . . . . A 15 ILE CB . 34865 1 94 . 1 . 1 15 15 ILE N N 15 121.615 0.047 . . . . . . A 15 ILE N . 34865 1 95 . 1 . 1 16 16 LEU H H 1 8.272 0.009 . . . . . . A 16 LEU H . 34865 1 96 . 1 . 1 16 16 LEU HA H 1 4.193 0.007 . . . . . . A 16 LEU HA . 34865 1 97 . 1 . 1 16 16 LEU HB2 H 1 1.708 0.000 . . . . . . A 16 LEU HB2 . 34865 1 98 . 1 . 1 16 16 LEU HB3 H 1 1.830 0.000 . . . . . . A 16 LEU HB3 . 34865 1 99 . 1 . 1 16 16 LEU HG H 1 1.503 0.000 . . . . . . A 16 LEU HG . 34865 1 100 . 1 . 1 16 16 LEU HD11 H 1 0.849 0.000 . . . . . . A 16 LEU HD11 . 34865 1 101 . 1 . 1 16 16 LEU HD12 H 1 0.849 0.000 . . . . . . A 16 LEU HD12 . 34865 1 102 . 1 . 1 16 16 LEU HD13 H 1 0.849 0.000 . . . . . . A 16 LEU HD13 . 34865 1 103 . 1 . 1 16 16 LEU HD21 H 1 0.849 0.000 . . . . . . A 16 LEU HD21 . 34865 1 104 . 1 . 1 16 16 LEU HD22 H 1 0.849 0.000 . . . . . . A 16 LEU HD22 . 34865 1 105 . 1 . 1 16 16 LEU HD23 H 1 0.849 0.000 . . . . . . A 16 LEU HD23 . 34865 1 106 . 1 . 1 16 16 LEU CA C 13 55.757 0.045 . . . . . . A 16 LEU CA . 34865 1 107 . 1 . 1 16 16 LEU CB C 13 39.445 0.005 . . . . . . A 16 LEU CB . 34865 1 108 . 1 . 1 16 16 LEU N N 15 121.848 0.065 . . . . . . A 16 LEU N . 34865 1 109 . 1 . 1 17 17 GLU H H 1 7.942 0.012 . . . . . . A 17 GLU H . 34865 1 110 . 1 . 1 17 17 GLU HA H 1 4.036 0.018 . . . . . . A 17 GLU HA . 34865 1 111 . 1 . 1 17 17 GLU HB2 H 1 2.055 0.000 . . . . . . A 17 GLU HB2 . 34865 1 112 . 1 . 1 17 17 GLU HB3 H 1 1.953 0.000 . . . . . . A 17 GLU HB3 . 34865 1 113 . 1 . 1 17 17 GLU CA C 13 56.286 0.022 . . . . . . A 17 GLU CA . 34865 1 114 . 1 . 1 17 17 GLU CB C 13 26.393 0.000 . . . . . . A 17 GLU CB . 34865 1 115 . 1 . 1 17 17 GLU N N 15 118.043 0.050 . . . . . . A 17 GLU N . 34865 1 116 . 1 . 1 18 18 SER H H 1 8.176 0.010 . . . . . . A 18 SER H . 34865 1 117 . 1 . 1 18 18 SER HA H 1 4.201 0.010 . . . . . . A 18 SER HA . 34865 1 118 . 1 . 1 18 18 SER HB2 H 1 3.724 0.000 . . . . . . A 18 SER HB2 . 34865 1 119 . 1 . 1 18 18 SER CA C 13 58.838 0.000 . . . . . . A 18 SER CA . 34865 1 120 . 1 . 1 18 18 SER CB C 13 59.754 0.000 . . . . . . A 18 SER CB . 34865 1 121 . 1 . 1 18 18 SER N N 15 116.086 0.032 . . . . . . A 18 SER N . 34865 1 122 . 1 . 1 19 19 GLN H H 1 8.748 0.004 . . . . . . A 19 GLN H . 34865 1 123 . 1 . 1 19 19 GLN HA H 1 3.953 0.035 . . . . . . A 19 GLN HA . 34865 1 124 . 1 . 1 19 19 GLN HB2 H 1 1.992 0.000 . . . . . . A 19 GLN HB2 . 34865 1 125 . 1 . 1 19 19 GLN HB3 H 1 1.671 0.000 . . . . . . A 19 GLN HB3 . 34865 1 126 . 1 . 1 19 19 GLN HG2 H 1 2.488 0.000 . . . . . . A 19 GLN HG2 . 34865 1 127 . 1 . 1 19 19 GLN HG3 H 1 2.774 0.000 . . . . . . A 19 GLN HG3 . 34865 1 128 . 1 . 1 19 19 GLN CA C 13 56.738 0.000 . . . . . . A 19 GLN CA . 34865 1 129 . 1 . 1 19 19 GLN CB C 13 26.730 0.000 . . . . . . A 19 GLN CB . 34865 1 130 . 1 . 1 19 19 GLN N N 15 121.241 0.026 . . . . . . A 19 GLN N . 34865 1 131 . 1 . 1 20 20 LYS HA H 1 4.036 0.000 . . . . . . A 20 LYS HA . 34865 1 132 . 1 . 1 20 20 LYS HB2 H 1 2.065 0.000 . . . . . . A 20 LYS HB2 . 34865 1 133 . 1 . 1 20 20 LYS CA C 13 56.724 0.000 . . . . . . A 20 LYS CA . 34865 1 134 . 1 . 1 20 20 LYS CB C 13 26.605 0.000 . . . . . . A 20 LYS CB . 34865 1 135 . 1 . 1 21 21 ILE H H 1 7.676 0.010 . . . . . . A 21 ILE H . 34865 1 136 . 1 . 1 21 21 ILE HA H 1 3.719 0.003 . . . . . . A 21 ILE HA . 34865 1 137 . 1 . 1 21 21 ILE HB H 1 1.951 0.000 . . . . . . A 21 ILE HB . 34865 1 138 . 1 . 1 21 21 ILE HG12 H 1 1.737 0.000 . . . . . . A 21 ILE HG12 . 34865 1 139 . 1 . 1 21 21 ILE HG21 H 1 1.038 0.000 . . . . . . A 21 ILE HG21 . 34865 1 140 . 1 . 1 21 21 ILE HG22 H 1 1.038 0.000 . . . . . . A 21 ILE HG22 . 34865 1 141 . 1 . 1 21 21 ILE HG23 H 1 1.038 0.000 . . . . . . A 21 ILE HG23 . 34865 1 142 . 1 . 1 21 21 ILE HD11 H 1 0.802 0.000 . . . . . . A 21 ILE HD11 . 34865 1 143 . 1 . 1 21 21 ILE HD12 H 1 0.802 0.000 . . . . . . A 21 ILE HD12 . 34865 1 144 . 1 . 1 21 21 ILE HD13 H 1 0.802 0.000 . . . . . . A 21 ILE HD13 . 34865 1 145 . 1 . 1 21 21 ILE CA C 13 62.207 0.000 . . . . . . A 21 ILE CA . 34865 1 146 . 1 . 1 21 21 ILE CB C 13 34.962 0.000 . . . . . . A 21 ILE CB . 34865 1 147 . 1 . 1 21 21 ILE N N 15 122.145 0.038 . . . . . . A 21 ILE N . 34865 1 148 . 1 . 1 22 22 LYS H H 1 7.447 0.017 . . . . . . A 22 LYS H . 34865 1 149 . 1 . 1 22 22 LYS HA H 1 3.961 0.016 . . . . . . A 22 LYS HA . 34865 1 150 . 1 . 1 22 22 LYS HB2 H 1 1.796 0.015 . . . . . . A 22 LYS HB2 . 34865 1 151 . 1 . 1 22 22 LYS HB3 H 1 1.906 0.000 . . . . . . A 22 LYS HB3 . 34865 1 152 . 1 . 1 22 22 LYS CA C 13 60.267 0.072 . . . . . . A 22 LYS CA . 34865 1 153 . 1 . 1 22 22 LYS CB C 13 29.427 0.056 . . . . . . A 22 LYS CB . 34865 1 154 . 1 . 1 22 22 LYS N N 15 118.938 0.010 . . . . . . A 22 LYS N . 34865 1 155 . 1 . 1 23 23 ILE H H 1 8.380 0.006 . . . . . . A 23 ILE H . 34865 1 156 . 1 . 1 23 23 ILE HA H 1 3.389 0.000 . . . . . . A 23 ILE HA . 34865 1 157 . 1 . 1 23 23 ILE HB H 1 1.918 0.000 . . . . . . A 23 ILE HB . 34865 1 158 . 1 . 1 23 23 ILE HG21 H 1 0.833 0.000 . . . . . . A 23 ILE HG21 . 34865 1 159 . 1 . 1 23 23 ILE HG22 H 1 0.833 0.000 . . . . . . A 23 ILE HG22 . 34865 1 160 . 1 . 1 23 23 ILE HG23 H 1 0.833 0.000 . . . . . . A 23 ILE HG23 . 34865 1 161 . 1 . 1 23 23 ILE HD11 H 1 0.598 0.000 . . . . . . A 23 ILE HD11 . 34865 1 162 . 1 . 1 23 23 ILE HD12 H 1 0.598 0.000 . . . . . . A 23 ILE HD12 . 34865 1 163 . 1 . 1 23 23 ILE HD13 H 1 0.598 0.000 . . . . . . A 23 ILE HD13 . 34865 1 164 . 1 . 1 23 23 ILE CA C 13 63.734 0.024 . . . . . . A 23 ILE CA . 34865 1 165 . 1 . 1 23 23 ILE CB C 13 35.765 0.078 . . . . . . A 23 ILE CB . 34865 1 166 . 1 . 1 23 23 ILE N N 15 118.751 0.036 . . . . . . A 23 ILE N . 34865 1 167 . 1 . 1 24 24 LYS H H 1 7.708 0.013 . . . . . . A 24 LYS H . 34865 1 168 . 1 . 1 24 24 LYS HA H 1 3.880 0.001 . . . . . . A 24 LYS HA . 34865 1 169 . 1 . 1 24 24 LYS HB2 H 1 1.901 0.000 . . . . . . A 24 LYS HB2 . 34865 1 170 . 1 . 1 24 24 LYS HB3 H 1 1.997 0.000 . . . . . . A 24 LYS HB3 . 34865 1 171 . 1 . 1 24 24 LYS CA C 13 57.452 0.050 . . . . . . A 24 LYS CA . 34865 1 172 . 1 . 1 24 24 LYS CB C 13 29.387 0.052 . . . . . . A 24 LYS CB . 34865 1 173 . 1 . 1 24 24 LYS N N 15 120.070 0.029 . . . . . . A 24 LYS N . 34865 1 174 . 1 . 1 25 25 ASN H H 1 8.452 0.009 . . . . . . A 25 ASN H . 34865 1 175 . 1 . 1 25 25 ASN HA H 1 4.472 0.004 . . . . . . A 25 ASN HA . 34865 1 176 . 1 . 1 25 25 ASN HB2 H 1 2.871 0.005 . . . . . . A 25 ASN HB2 . 34865 1 177 . 1 . 1 25 25 ASN HB3 H 1 2.866 0.000 . . . . . . A 25 ASN HB3 . 34865 1 178 . 1 . 1 25 25 ASN HD21 H 1 6.852 0.000 . . . . . . A 25 ASN HD21 . 34865 1 179 . 1 . 1 25 25 ASN HD22 H 1 7.483 0.000 . . . . . . A 25 ASN HD22 . 34865 1 180 . 1 . 1 25 25 ASN CA C 13 53.286 0.003 . . . . . . A 25 ASN CA . 34865 1 181 . 1 . 1 25 25 ASN CB C 13 35.124 0.068 . . . . . . A 25 ASN CB . 34865 1 182 . 1 . 1 25 25 ASN N N 15 118.080 0.033 . . . . . . A 25 ASN N . 34865 1 183 . 1 . 1 26 26 LEU H H 1 8.646 0.010 . . . . . . A 26 LEU H . 34865 1 184 . 1 . 1 26 26 LEU HA H 1 4.134 0.007 . . . . . . A 26 LEU HA . 34865 1 185 . 1 . 1 26 26 LEU HB2 H 1 2.029 0.000 . . . . . . A 26 LEU HB2 . 34865 1 186 . 1 . 1 26 26 LEU HB3 H 1 1.794 0.000 . . . . . . A 26 LEU HB3 . 34865 1 187 . 1 . 1 26 26 LEU HG H 1 1.567 0.000 . . . . . . A 26 LEU HG . 34865 1 188 . 1 . 1 26 26 LEU HD11 H 1 0.862 0.000 . . . . . . A 26 LEU HD11 . 34865 1 189 . 1 . 1 26 26 LEU HD12 H 1 0.862 0.000 . . . . . . A 26 LEU HD12 . 34865 1 190 . 1 . 1 26 26 LEU HD13 H 1 0.862 0.000 . . . . . . A 26 LEU HD13 . 34865 1 191 . 1 . 1 26 26 LEU CA C 13 55.580 0.067 . . . . . . A 26 LEU CA . 34865 1 192 . 1 . 1 26 26 LEU CB C 13 41.104 0.090 . . . . . . A 26 LEU CB . 34865 1 193 . 1 . 1 26 26 LEU N N 15 123.612 0.025 . . . . . . A 26 LEU N . 34865 1 194 . 1 . 1 27 27 LYS H H 1 8.612 0.010 . . . . . . A 27 LYS H . 34865 1 195 . 1 . 1 27 27 LYS HA H 1 3.830 0.022 . . . . . . A 27 LYS HA . 34865 1 196 . 1 . 1 27 27 LYS HB2 H 1 1.942 0.021 . . . . . . A 27 LYS HB2 . 34865 1 197 . 1 . 1 27 27 LYS HB3 H 1 1.772 0.003 . . . . . . A 27 LYS HB3 . 34865 1 198 . 1 . 1 27 27 LYS HG2 H 1 1.366 0.000 . . . . . . A 27 LYS HG2 . 34865 1 199 . 1 . 1 27 27 LYS HD2 H 1 1.612 0.000 . . . . . . A 27 LYS HD2 . 34865 1 200 . 1 . 1 27 27 LYS CA C 13 57.837 0.046 . . . . . . A 27 LYS CA . 34865 1 201 . 1 . 1 27 27 LYS CB C 13 29.606 0.055 . . . . . . A 27 LYS CB . 34865 1 202 . 1 . 1 27 27 LYS N N 15 118.465 0.038 . . . . . . A 27 LYS N . 34865 1 203 . 1 . 1 28 28 GLU H H 1 7.709 0.015 . . . . . . A 28 GLU H . 34865 1 204 . 1 . 1 28 28 GLU HA H 1 4.060 0.008 . . . . . . A 28 GLU HA . 34865 1 205 . 1 . 1 28 28 GLU HB2 H 1 1.642 0.000 . . . . . . A 28 GLU HB2 . 34865 1 206 . 1 . 1 28 28 GLU HB3 H 1 1.401 0.000 . . . . . . A 28 GLU HB3 . 34865 1 207 . 1 . 1 28 28 GLU HG2 H 1 2.129 0.000 . . . . . . A 28 GLU HG2 . 34865 1 208 . 1 . 1 28 28 GLU HG3 H 1 2.366 0.000 . . . . . . A 28 GLU HG3 . 34865 1 209 . 1 . 1 28 28 GLU CA C 13 56.346 0.046 . . . . . . A 28 GLU CA . 34865 1 210 . 1 . 1 28 28 GLU CB C 13 26.259 0.000 . . . . . . A 28 GLU CB . 34865 1 211 . 1 . 1 28 28 GLU N N 15 119.467 0.081 . . . . . . A 28 GLU N . 34865 1 212 . 1 . 1 29 29 GLU H H 1 7.962 0.009 . . . . . . A 29 GLU H . 34865 1 213 . 1 . 1 29 29 GLU HA H 1 3.964 0.000 . . . . . . A 29 GLU HA . 34865 1 214 . 1 . 1 29 29 GLU HB2 H 1 2.150 0.000 . . . . . . A 29 GLU HB2 . 34865 1 215 . 1 . 1 29 29 GLU HG2 H 1 2.151 0.000 . . . . . . A 29 GLU HG2 . 34865 1 216 . 1 . 1 29 29 GLU HG3 H 1 2.352 0.000 . . . . . . A 29 GLU HG3 . 34865 1 217 . 1 . 1 29 29 GLU CA C 13 57.528 0.046 . . . . . . A 29 GLU CA . 34865 1 218 . 1 . 1 29 29 GLU CB C 13 26.888 0.079 . . . . . . A 29 GLU CB . 34865 1 219 . 1 . 1 29 29 GLU N N 15 121.620 0.054 . . . . . . A 29 GLU N . 34865 1 220 . 1 . 1 30 30 VAL H H 1 8.241 0.010 . . . . . . A 30 VAL H . 34865 1 221 . 1 . 1 30 30 VAL HA H 1 3.378 0.009 . . . . . . A 30 VAL HA . 34865 1 222 . 1 . 1 30 30 VAL HB H 1 2.039 0.000 . . . . . . A 30 VAL HB . 34865 1 223 . 1 . 1 30 30 VAL HG11 H 1 0.971 0.000 . . . . . . A 30 VAL HG11 . 34865 1 224 . 1 . 1 30 30 VAL HG12 H 1 0.971 0.000 . . . . . . A 30 VAL HG12 . 34865 1 225 . 1 . 1 30 30 VAL HG13 H 1 0.971 0.000 . . . . . . A 30 VAL HG13 . 34865 1 226 . 1 . 1 30 30 VAL HG21 H 1 0.840 0.002 . . . . . . A 30 VAL HG21 . 34865 1 227 . 1 . 1 30 30 VAL HG22 H 1 0.840 0.002 . . . . . . A 30 VAL HG22 . 34865 1 228 . 1 . 1 30 30 VAL HG23 H 1 0.840 0.002 . . . . . . A 30 VAL HG23 . 34865 1 229 . 1 . 1 30 30 VAL CA C 13 64.768 0.001 . . . . . . A 30 VAL CA . 34865 1 230 . 1 . 1 30 30 VAL CB C 13 29.242 0.000 . . . . . . A 30 VAL CB . 34865 1 231 . 1 . 1 30 30 VAL N N 15 118.253 0.043 . . . . . . A 30 VAL N . 34865 1 232 . 1 . 1 31 31 LYS H H 1 7.391 0.013 . . . . . . A 31 LYS H . 34865 1 233 . 1 . 1 31 31 LYS HA H 1 3.959 0.008 . . . . . . A 31 LYS HA . 34865 1 234 . 1 . 1 31 31 LYS HB2 H 1 1.367 0.000 . . . . . . A 31 LYS HB2 . 34865 1 235 . 1 . 1 31 31 LYS HB3 H 1 1.936 0.000 . . . . . . A 31 LYS HB3 . 34865 1 236 . 1 . 1 31 31 LYS CA C 13 57.014 0.004 . . . . . . A 31 LYS CA . 34865 1 237 . 1 . 1 31 31 LYS CB C 13 29.567 0.000 . . . . . . A 31 LYS CB . 34865 1 238 . 1 . 1 31 31 LYS N N 15 118.387 0.044 . . . . . . A 31 LYS N . 34865 1 239 . 1 . 1 32 32 ILE H H 1 8.096 0.012 . . . . . . A 32 ILE H . 34865 1 240 . 1 . 1 32 32 ILE HA H 1 4.464 0.000 . . . . . . A 32 ILE HA . 34865 1 241 . 1 . 1 32 32 ILE HB H 1 1.712 0.000 . . . . . . A 32 ILE HB . 34865 1 242 . 1 . 1 32 32 ILE HG21 H 1 1.134 0.000 . . . . . . A 32 ILE HG21 . 34865 1 243 . 1 . 1 32 32 ILE HG22 H 1 1.134 0.000 . . . . . . A 32 ILE HG22 . 34865 1 244 . 1 . 1 32 32 ILE HG23 H 1 1.134 0.000 . . . . . . A 32 ILE HG23 . 34865 1 245 . 1 . 1 32 32 ILE HD11 H 1 0.851 0.000 . . . . . . A 32 ILE HD11 . 34865 1 246 . 1 . 1 32 32 ILE HD12 H 1 0.851 0.000 . . . . . . A 32 ILE HD12 . 34865 1 247 . 1 . 1 32 32 ILE HD13 H 1 0.851 0.000 . . . . . . A 32 ILE HD13 . 34865 1 248 . 1 . 1 32 32 ILE CA C 13 62.321 0.000 . . . . . . A 32 ILE CA . 34865 1 249 . 1 . 1 32 32 ILE CB C 13 35.485 0.000 . . . . . . A 32 ILE CB . 34865 1 250 . 1 . 1 32 32 ILE N N 15 120.515 0.044 . . . . . . A 32 ILE N . 34865 1 251 . 1 . 1 33 33 LEU HA H 1 3.962 0.000 . . . . . . A 33 LEU HA . 34865 1 252 . 1 . 1 33 33 LEU HD11 H 1 0.848 0.000 . . . . . . A 33 LEU HD11 . 34865 1 253 . 1 . 1 33 33 LEU HD12 H 1 0.848 0.000 . . . . . . A 33 LEU HD12 . 34865 1 254 . 1 . 1 33 33 LEU HD13 H 1 0.848 0.000 . . . . . . A 33 LEU HD13 . 34865 1 255 . 1 . 1 33 33 LEU HD21 H 1 0.973 0.000 . . . . . . A 33 LEU HD21 . 34865 1 256 . 1 . 1 33 33 LEU HD22 H 1 0.973 0.000 . . . . . . A 33 LEU HD22 . 34865 1 257 . 1 . 1 33 33 LEU HD23 H 1 0.973 0.000 . . . . . . A 33 LEU HD23 . 34865 1 258 . 1 . 1 33 33 LEU CA C 13 55.404 0.000 . . . . . . A 33 LEU CA . 34865 1 259 . 1 . 1 33 33 LEU CB C 13 39.604 0.000 . . . . . . A 33 LEU CB . 34865 1 260 . 1 . 1 34 34 GLN H H 1 8.816 0.004 . . . . . . A 34 GLN H . 34865 1 261 . 1 . 1 34 34 GLN HA H 1 3.859 0.009 . . . . . . A 34 GLN HA . 34865 1 262 . 1 . 1 34 34 GLN HB2 H 1 1.955 0.023 . . . . . . A 34 GLN HB2 . 34865 1 263 . 1 . 1 34 34 GLN HB3 H 1 2.229 0.000 . . . . . . A 34 GLN HB3 . 34865 1 264 . 1 . 1 34 34 GLN HG2 H 1 2.449 0.000 . . . . . . A 34 GLN HG2 . 34865 1 265 . 1 . 1 34 34 GLN HG3 H 1 2.242 0.000 . . . . . . A 34 GLN HG3 . 34865 1 266 . 1 . 1 34 34 GLN CA C 13 55.917 0.078 . . . . . . A 34 GLN CA . 34865 1 267 . 1 . 1 34 34 GLN CB C 13 25.497 0.013 . . . . . . A 34 GLN CB . 34865 1 268 . 1 . 1 34 34 GLN N N 15 118.438 0.027 . . . . . . A 34 GLN N . 34865 1 269 . 1 . 1 35 35 ARG H H 1 7.853 0.007 . . . . . . A 35 ARG H . 34865 1 270 . 1 . 1 35 35 ARG HA H 1 4.116 0.015 . . . . . . A 35 ARG HA . 34865 1 271 . 1 . 1 35 35 ARG CA C 13 56.472 0.000 . . . . . . A 35 ARG CA . 34865 1 272 . 1 . 1 35 35 ARG CB C 13 27.035 0.000 . . . . . . A 35 ARG CB . 34865 1 273 . 1 . 1 35 35 ARG N N 15 118.566 0.029 . . . . . . A 35 ARG N . 34865 1 274 . 1 . 1 36 36 LYS HA H 1 3.809 0.000 . . . . . . A 36 LYS HA . 34865 1 275 . 1 . 1 36 36 LYS HB2 H 1 1.954 0.000 . . . . . . A 36 LYS HB2 . 34865 1 276 . 1 . 1 36 36 LYS CA C 13 58.062 0.000 . . . . . . A 36 LYS CA . 34865 1 277 . 1 . 1 36 36 LYS CB C 13 29.823 0.000 . . . . . . A 36 LYS CB . 34865 1 278 . 1 . 1 37 37 ILE H H 1 7.577 0.013 . . . . . . A 37 ILE H . 34865 1 279 . 1 . 1 37 37 ILE HA H 1 3.745 0.000 . . . . . . A 37 ILE HA . 34865 1 280 . 1 . 1 37 37 ILE HB H 1 1.916 0.000 . . . . . . A 37 ILE HB . 34865 1 281 . 1 . 1 37 37 ILE HG12 H 1 1.501 0.000 . . . . . . A 37 ILE HG12 . 34865 1 282 . 1 . 1 37 37 ILE HG21 H 1 1.225 0.000 . . . . . . A 37 ILE HG21 . 34865 1 283 . 1 . 1 37 37 ILE HG22 H 1 1.225 0.000 . . . . . . A 37 ILE HG22 . 34865 1 284 . 1 . 1 37 37 ILE HG23 H 1 1.225 0.000 . . . . . . A 37 ILE HG23 . 34865 1 285 . 1 . 1 37 37 ILE HD11 H 1 0.858 0.000 . . . . . . A 37 ILE HD11 . 34865 1 286 . 1 . 1 37 37 ILE HD12 H 1 0.858 0.000 . . . . . . A 37 ILE HD12 . 34865 1 287 . 1 . 1 37 37 ILE HD13 H 1 0.858 0.000 . . . . . . A 37 ILE HD13 . 34865 1 288 . 1 . 1 37 37 ILE CA C 13 62.008 0.000 . . . . . . A 37 ILE CA . 34865 1 289 . 1 . 1 37 37 ILE CB C 13 35.163 0.000 . . . . . . A 37 ILE CB . 34865 1 290 . 1 . 1 37 37 ILE N N 15 120.676 0.037 . . . . . . A 37 ILE N . 34865 1 291 . 1 . 1 38 38 ASP H H 1 8.424 0.009 . . . . . . A 38 ASP H . 34865 1 292 . 1 . 1 38 38 ASP HA H 1 4.366 0.001 . . . . . . A 38 ASP HA . 34865 1 293 . 1 . 1 38 38 ASP HB2 H 1 2.753 0.002 . . . . . . A 38 ASP HB2 . 34865 1 294 . 1 . 1 38 38 ASP HB3 H 1 2.546 0.000 . . . . . . A 38 ASP HB3 . 34865 1 295 . 1 . 1 38 38 ASP CA C 13 54.478 0.068 . . . . . . A 38 ASP CA . 34865 1 296 . 1 . 1 38 38 ASP CB C 13 37.544 0.021 . . . . . . A 38 ASP CB . 34865 1 297 . 1 . 1 38 38 ASP N N 15 120.984 0.024 . . . . . . A 38 ASP N . 34865 1 298 . 1 . 1 39 39 GLN H H 1 8.106 0.004 . . . . . . A 39 GLN H . 34865 1 299 . 1 . 1 39 39 GLN HA H 1 4.086 0.010 . . . . . . A 39 GLN HA . 34865 1 300 . 1 . 1 39 39 GLN HB2 H 1 2.102 0.000 . . . . . . A 39 GLN HB2 . 34865 1 301 . 1 . 1 39 39 GLN HB3 H 1 2.174 0.000 . . . . . . A 39 GLN HB3 . 34865 1 302 . 1 . 1 39 39 GLN HG2 H 1 2.357 0.000 . . . . . . A 39 GLN HG2 . 34865 1 303 . 1 . 1 39 39 GLN HG3 H 1 2.153 0.000 . . . . . . A 39 GLN HG3 . 34865 1 304 . 1 . 1 39 39 GLN HE21 H 1 7.495 0.004 . . . . . . A 39 GLN HE21 . 34865 1 305 . 1 . 1 39 39 GLN HE22 H 1 6.461 0.013 . . . . . . A 39 GLN HE22 . 34865 1 306 . 1 . 1 39 39 GLN CA C 13 55.438 0.006 . . . . . . A 39 GLN CA . 34865 1 307 . 1 . 1 39 39 GLN CB C 13 25.853 0.072 . . . . . . A 39 GLN CB . 34865 1 308 . 1 . 1 39 39 GLN N N 15 118.736 0.068 . . . . . . A 39 GLN N . 34865 1 309 . 1 . 1 39 39 GLN NE2 N 15 113.433 0.010 . . . . . . A 39 GLN NE2 . 34865 1 310 . 1 . 1 40 40 GLN H H 1 7.838 0.019 . . . . . . A 40 GLN H . 34865 1 311 . 1 . 1 40 40 GLN HA H 1 4.054 0.000 . . . . . . A 40 GLN HA . 34865 1 312 . 1 . 1 40 40 GLN HB2 H 1 2.170 0.000 . . . . . . A 40 GLN HB2 . 34865 1 313 . 1 . 1 40 40 GLN HB3 H 1 2.096 0.000 . . . . . . A 40 GLN HB3 . 34865 1 314 . 1 . 1 40 40 GLN HG2 H 1 2.335 0.000 . . . . . . A 40 GLN HG2 . 34865 1 315 . 1 . 1 40 40 GLN HG3 H 1 2.393 0.000 . . . . . . A 40 GLN HG3 . 34865 1 316 . 1 . 1 40 40 GLN HE21 H 1 6.631 0.000 . . . . . . A 40 GLN HE21 . 34865 1 317 . 1 . 1 40 40 GLN CA C 13 55.166 0.028 . . . . . . A 40 GLN CA . 34865 1 318 . 1 . 1 40 40 GLN CB C 13 25.593 0.027 . . . . . . A 40 GLN CB . 34865 1 319 . 1 . 1 40 40 GLN N N 15 119.914 0.067 . . . . . . A 40 GLN N . 34865 1 320 . 1 . 1 41 41 ILE H H 1 8.043 0.002 . . . . . . A 41 ILE H . 34865 1 321 . 1 . 1 41 41 ILE HA H 1 3.846 0.021 . . . . . . A 41 ILE HA . 34865 1 322 . 1 . 1 41 41 ILE HB H 1 1.867 0.000 . . . . . . A 41 ILE HB . 34865 1 323 . 1 . 1 41 41 ILE HG12 H 1 1.404 0.000 . . . . . . A 41 ILE HG12 . 34865 1 324 . 1 . 1 41 41 ILE HG21 H 1 1.152 0.000 . . . . . . A 41 ILE HG21 . 34865 1 325 . 1 . 1 41 41 ILE HG22 H 1 1.152 0.000 . . . . . . A 41 ILE HG22 . 34865 1 326 . 1 . 1 41 41 ILE HG23 H 1 1.152 0.000 . . . . . . A 41 ILE HG23 . 34865 1 327 . 1 . 1 41 41 ILE HD11 H 1 0.838 0.000 . . . . . . A 41 ILE HD11 . 34865 1 328 . 1 . 1 41 41 ILE HD12 H 1 0.838 0.000 . . . . . . A 41 ILE HD12 . 34865 1 329 . 1 . 1 41 41 ILE HD13 H 1 0.838 0.000 . . . . . . A 41 ILE HD13 . 34865 1 330 . 1 . 1 41 41 ILE CA C 13 60.742 0.012 . . . . . . A 41 ILE CA . 34865 1 331 . 1 . 1 41 41 ILE CB C 13 35.475 0.006 . . . . . . A 41 ILE CB . 34865 1 332 . 1 . 1 41 41 ILE N N 15 119.991 0.047 . . . . . . A 41 ILE N . 34865 1 333 . 1 . 1 42 42 ALA H H 1 7.866 0.010 . . . . . . A 42 ALA H . 34865 1 334 . 1 . 1 42 42 ALA HA H 1 4.114 0.007 . . . . . . A 42 ALA HA . 34865 1 335 . 1 . 1 42 42 ALA HB1 H 1 1.389 0.001 . . . . . . A 42 ALA HB1 . 34865 1 336 . 1 . 1 42 42 ALA HB2 H 1 1.389 0.001 . . . . . . A 42 ALA HB2 . 34865 1 337 . 1 . 1 42 42 ALA HB3 H 1 1.389 0.001 . . . . . . A 42 ALA HB3 . 34865 1 338 . 1 . 1 42 42 ALA CA C 13 51.091 0.009 . . . . . . A 42 ALA CA . 34865 1 339 . 1 . 1 42 42 ALA CB C 13 15.743 0.002 . . . . . . A 42 ALA CB . 34865 1 340 . 1 . 1 42 42 ALA N N 15 123.458 0.132 . . . . . . A 42 ALA N . 34865 1 341 . 1 . 1 43 43 LYS H H 1 7.771 0.012 . . . . . . A 43 LYS H . 34865 1 342 . 1 . 1 43 43 LYS HA H 1 4.116 0.022 . . . . . . A 43 LYS HA . 34865 1 343 . 1 . 1 43 43 LYS HB2 H 1 1.835 0.005 . . . . . . A 43 LYS HB2 . 34865 1 344 . 1 . 1 43 43 LYS HB3 H 1 1.634 0.000 . . . . . . A 43 LYS HB3 . 34865 1 345 . 1 . 1 43 43 LYS CA C 13 54.787 0.017 . . . . . . A 43 LYS CA . 34865 1 346 . 1 . 1 43 43 LYS CB C 13 29.960 0.004 . . . . . . A 43 LYS CB . 34865 1 347 . 1 . 1 43 43 LYS N N 15 118.558 0.032 . . . . . . A 43 LYS N . 34865 1 348 . 1 . 1 44 44 GLU H H 1 7.929 0.017 . . . . . . A 44 GLU H . 34865 1 349 . 1 . 1 44 44 GLU HA H 1 4.140 0.006 . . . . . . A 44 GLU HA . 34865 1 350 . 1 . 1 44 44 GLU HB2 H 1 1.983 0.001 . . . . . . A 44 GLU HB2 . 34865 1 351 . 1 . 1 44 44 GLU HG2 H 1 2.197 0.000 . . . . . . A 44 GLU HG2 . 34865 1 352 . 1 . 1 44 44 GLU HG3 H 1 2.317 0.000 . . . . . . A 44 GLU HG3 . 34865 1 353 . 1 . 1 44 44 GLU CA C 13 54.425 0.003 . . . . . . A 44 GLU CA . 34865 1 354 . 1 . 1 44 44 GLU CB C 13 27.321 0.080 . . . . . . A 44 GLU CB . 34865 1 355 . 1 . 1 44 44 GLU N N 15 119.538 0.058 . . . . . . A 44 GLU N . 34865 1 356 . 1 . 1 45 45 ARG H H 1 7.930 0.015 . . . . . . A 45 ARG H . 34865 1 357 . 1 . 1 45 45 ARG HA H 1 4.233 0.007 . . . . . . A 45 ARG HA . 34865 1 358 . 1 . 1 45 45 ARG HB2 H 1 1.770 0.005 . . . . . . A 45 ARG HB2 . 34865 1 359 . 1 . 1 45 45 ARG HB3 H 1 1.575 0.017 . . . . . . A 45 ARG HB3 . 34865 1 360 . 1 . 1 45 45 ARG CA C 13 53.904 0.048 . . . . . . A 45 ARG CA . 34865 1 361 . 1 . 1 45 45 ARG CB C 13 27.924 0.025 . . . . . . A 45 ARG CB . 34865 1 362 . 1 . 1 45 45 ARG N N 15 120.439 0.038 . . . . . . A 45 ARG N . 34865 1 363 . 1 . 1 46 46 VAL H H 1 7.901 0.007 . . . . . . A 46 VAL H . 34865 1 364 . 1 . 1 46 46 VAL HA H 1 4.009 0.010 . . . . . . A 46 VAL HA . 34865 1 365 . 1 . 1 46 46 VAL HB H 1 2.004 0.000 . . . . . . A 46 VAL HB . 34865 1 366 . 1 . 1 46 46 VAL HG11 H 1 0.891 0.000 . . . . . . A 46 VAL HG11 . 34865 1 367 . 1 . 1 46 46 VAL HG12 H 1 0.891 0.000 . . . . . . A 46 VAL HG12 . 34865 1 368 . 1 . 1 46 46 VAL HG13 H 1 0.891 0.000 . . . . . . A 46 VAL HG13 . 34865 1 369 . 1 . 1 46 46 VAL HG21 H 1 0.891 0.000 . . . . . . A 46 VAL HG21 . 34865 1 370 . 1 . 1 46 46 VAL HG22 H 1 0.891 0.000 . . . . . . A 46 VAL HG22 . 34865 1 371 . 1 . 1 46 46 VAL HG23 H 1 0.891 0.000 . . . . . . A 46 VAL HG23 . 34865 1 372 . 1 . 1 46 46 VAL CA C 13 59.900 0.002 . . . . . . A 46 VAL CA . 34865 1 373 . 1 . 1 46 46 VAL CB C 13 29.812 0.002 . . . . . . A 46 VAL CB . 34865 1 374 . 1 . 1 46 46 VAL N N 15 121.182 0.049 . . . . . . A 46 VAL N . 34865 1 375 . 1 . 1 47 47 ILE H H 1 8.139 0.003 . . . . . . A 47 ILE H . 34865 1 376 . 1 . 1 47 47 ILE HA H 1 4.081 0.010 . . . . . . A 47 ILE HA . 34865 1 377 . 1 . 1 47 47 ILE HB H 1 1.783 0.001 . . . . . . A 47 ILE HB . 34865 1 378 . 1 . 1 47 47 ILE HG12 H 1 1.128 0.003 . . . . . . A 47 ILE HG12 . 34865 1 379 . 1 . 1 47 47 ILE HG21 H 1 1.417 0.000 . . . . . . A 47 ILE HG21 . 34865 1 380 . 1 . 1 47 47 ILE HG22 H 1 1.417 0.000 . . . . . . A 47 ILE HG22 . 34865 1 381 . 1 . 1 47 47 ILE HG23 H 1 1.417 0.000 . . . . . . A 47 ILE HG23 . 34865 1 382 . 1 . 1 47 47 ILE HD11 H 1 0.840 0.000 . . . . . . A 47 ILE HD11 . 34865 1 383 . 1 . 1 47 47 ILE HD12 H 1 0.840 0.000 . . . . . . A 47 ILE HD12 . 34865 1 384 . 1 . 1 47 47 ILE HD13 H 1 0.840 0.000 . . . . . . A 47 ILE HD13 . 34865 1 385 . 1 . 1 47 47 ILE CA C 13 58.228 0.003 . . . . . . A 47 ILE CA . 34865 1 386 . 1 . 1 47 47 ILE CB C 13 35.782 0.007 . . . . . . A 47 ILE CB . 34865 1 387 . 1 . 1 47 47 ILE N N 15 125.268 0.050 . . . . . . A 47 ILE N . 34865 1 388 . 1 . 1 48 48 LYS H H 1 8.281 0.005 . . . . . . A 48 LYS H . 34865 1 389 . 1 . 1 48 48 LYS HA H 1 4.282 0.007 . . . . . . A 48 LYS HA . 34865 1 390 . 1 . 1 48 48 LYS HB2 H 1 1.841 0.000 . . . . . . A 48 LYS HB2 . 34865 1 391 . 1 . 1 48 48 LYS HB3 H 1 1.675 0.001 . . . . . . A 48 LYS HB3 . 34865 1 392 . 1 . 1 48 48 LYS HG2 H 1 1.381 0.000 . . . . . . A 48 LYS HG2 . 34865 1 393 . 1 . 1 48 48 LYS HG3 H 1 1.381 0.000 . . . . . . A 48 LYS HG3 . 34865 1 394 . 1 . 1 48 48 LYS CA C 13 53.533 0.006 . . . . . . A 48 LYS CA . 34865 1 395 . 1 . 1 48 48 LYS CB C 13 30.332 0.001 . . . . . . A 48 LYS CB . 34865 1 396 . 1 . 1 48 48 LYS N N 15 126.691 0.035 . . . . . . A 48 LYS N . 34865 1 397 . 1 . 1 49 49 GLN H H 1 7.984 0.008 . . . . . . A 49 GLN H . 34865 1 398 . 1 . 1 49 49 GLN HA H 1 4.091 0.008 . . . . . . A 49 GLN HA . 34865 1 399 . 1 . 1 49 49 GLN HB2 H 1 2.011 0.000 . . . . . . A 49 GLN HB2 . 34865 1 400 . 1 . 1 49 49 GLN HG2 H 1 2.227 0.000 . . . . . . A 49 GLN HG2 . 34865 1 401 . 1 . 1 49 49 GLN CA C 13 54.619 0.000 . . . . . . A 49 GLN CA . 34865 1 402 . 1 . 1 49 49 GLN CB C 13 27.669 0.000 . . . . . . A 49 GLN CB . 34865 1 403 . 1 . 1 49 49 GLN N N 15 127.820 0.019 . . . . . . A 49 GLN N . 34865 1 stop_ save_