################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25214 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4uzx/ebi/tho1.dep.data.csh' _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 '1H-15N HSQC' 1 $sample_1 solution 25214 1 2 '1H-13C HSQC' 1 $sample_1 solution 25214 1 3 HNCACB 1 $sample_1 solution 25214 1 4 CBCA(CO)NH 1 $sample_1 solution 25214 1 5 HNCO 1 $sample_1 solution 25214 1 6 HN(CA)CO 1 $sample_1 solution 25214 1 7 HNHB 1 $sample_1 solution 25214 1 8 1H-NOESY 1 $sample_1 solution 25214 1 9 1H-DQF-COSY 1 $sample_1 solution 25214 1 10 1H-TOCSY 1 $sample_1 solution 25214 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CNS . . 25214 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.554 0.01 . 1 . 2 . . 1 GLY H . 25214 1 2 . 1 1 1 1 GLY HA2 H 1 3.994 0.01 . 1 . 5 . . 1 GLY HA2 . 25214 1 3 . 1 1 1 1 GLY HA3 H 1 3.994 0.01 . 1 . 6 . . 1 GLY HA3 . 25214 1 4 . 1 1 1 1 GLY C C 13 174.530 0.10 . 1 . 4 . . 1 GLY C . 25214 1 5 . 1 1 1 1 GLY CA C 13 45.640 0.10 . 1 . 3 . . 1 GLY CA . 25214 1 6 . 1 1 1 1 GLY N N 15 108.520 0.10 . 1 . 1 . . 1 GLY N . 25214 1 7 . 1 1 2 2 SER H H 1 8.345 0.01 . 1 . 8 . . 2 SER H . 25214 1 8 . 1 1 2 2 SER HA H 1 4.430 0.01 . 1 . 10 . . 2 SER HA . 25214 1 9 . 1 1 2 2 SER HB2 H 1 3.815 0.01 . 1 . 13 . . 2 SER HB2 . 25214 1 10 . 1 1 2 2 SER HB3 H 1 3.815 0.01 . 1 . 14 . . 2 SER HB3 . 25214 1 11 . 1 1 2 2 SER C C 13 174.630 0.10 . 1 . 11 . . 2 SER C . 25214 1 12 . 1 1 2 2 SER CA C 13 58.700 0.10 . 1 . 9 . . 2 SER CA . 25214 1 13 . 1 1 2 2 SER CB C 13 64.480 0.10 . 1 . 12 . . 2 SER CB . 25214 1 14 . 1 1 2 2 SER N N 15 115.710 0.10 . 1 . 7 . . 2 SER N . 25214 1 15 . 1 1 3 3 ALA H H 1 8.369 0.01 . 1 . 16 . . 3 ALA H . 25214 1 16 . 1 1 3 3 ALA HA H 1 4.348 0.01 . 1 . 18 . . 3 ALA HA . 25214 1 17 . 1 1 3 3 ALA HB1 H 1 1.333 0.01 . 1 . 21 . . 3 ALA HB1 . 25214 1 18 . 1 1 3 3 ALA HB2 H 1 1.333 0.01 . 1 . 21 . . 3 ALA HB2 . 25214 1 19 . 1 1 3 3 ALA HB3 H 1 1.333 0.01 . 1 . 21 . . 3 ALA HB3 . 25214 1 20 . 1 1 3 3 ALA C C 13 178.040 0.10 . 1 . 19 . . 3 ALA C . 25214 1 21 . 1 1 3 3 ALA CA C 13 52.710 0.10 . 1 . 17 . . 3 ALA CA . 25214 1 22 . 1 1 3 3 ALA CB C 13 19.810 0.10 . 1 . 20 . . 3 ALA CB . 25214 1 23 . 1 1 3 3 ALA N N 15 126.240 0.10 . 1 . 15 . . 3 ALA N . 25214 1 24 . 1 1 4 4 LEU H H 1 8.168 0.01 . 1 . 23 . . 4 LEU H . 25214 1 25 . 1 1 4 4 LEU HA H 1 4.438 0.01 . 1 . 25 . . 4 LEU HA . 25214 1 26 . 1 1 4 4 LEU HB2 H 1 1.450 0.01 . 1 . 28 . . 4 LEU HB2 . 25214 1 27 . 1 1 4 4 LEU HB3 H 1 1.592 0.01 . 1 . 29 . . 4 LEU HB3 . 25214 1 28 . 1 1 4 4 LEU HG H 1 1.652 0.01 . 1 . 30 . . 4 LEU HG . 25214 1 29 . 1 1 4 4 LEU HD11 H 1 0.800 0.01 . 2 . 32 . . 4 LEU HD11 . 25214 1 30 . 1 1 4 4 LEU HD12 H 1 0.800 0.01 . 2 . 32 . . 4 LEU HD12 . 25214 1 31 . 1 1 4 4 LEU HD13 H 1 0.800 0.01 . 2 . 32 . . 4 LEU HD13 . 25214 1 32 . 1 1 4 4 LEU HD21 H 1 0.776 0.01 . 2 . 34 . . 4 LEU HD21 . 25214 1 33 . 1 1 4 4 LEU HD22 H 1 0.776 0.01 . 2 . 34 . . 4 LEU HD22 . 25214 1 34 . 1 1 4 4 LEU HD23 H 1 0.776 0.01 . 2 . 34 . . 4 LEU HD23 . 25214 1 35 . 1 1 4 4 LEU C C 13 177.410 0.10 . 1 . 26 . . 4 LEU C . 25214 1 36 . 1 1 4 4 LEU CA C 13 54.990 0.10 . 1 . 24 . . 4 LEU CA . 25214 1 37 . 1 1 4 4 LEU CB C 13 43.940 0.10 . 1 . 27 . . 4 LEU CB . 25214 1 38 . 1 1 4 4 LEU CD1 C 13 21.210 0.10 . 1 . 31 . . 4 LEU CD1 . 25214 1 39 . 1 1 4 4 LEU CD2 C 13 24.360 0.10 . 1 . 33 . . 4 LEU CD2 . 25214 1 40 . 1 1 4 4 LEU N N 15 121.470 0.10 . 1 . 22 . . 4 LEU N . 25214 1 41 . 1 1 5 5 SER H H 1 9.061 0.01 . 1 . 36 . . 5 SER H . 25214 1 42 . 1 1 5 5 SER HA H 1 4.737 0.01 . 1 . 38 . . 5 SER HA . 25214 1 43 . 1 1 5 5 SER HB2 H 1 4.003 0.01 . 2 . 41 . . 5 SER HB2 . 25214 1 44 . 1 1 5 5 SER HB3 H 1 4.394 0.01 . 2 . 42 . . 5 SER HB3 . 25214 1 45 . 1 1 5 5 SER C C 13 173.830 0.10 . 1 . 39 . . 5 SER C . 25214 1 46 . 1 1 5 5 SER CA C 13 56.940 0.10 . 1 . 37 . . 5 SER CA . 25214 1 47 . 1 1 5 5 SER CB C 13 63.710 0.10 . 1 . 40 . . 5 SER CB . 25214 1 48 . 1 1 5 5 SER N N 15 119.660 0.10 . 1 . 35 . . 5 SER N . 25214 1 49 . 1 1 6 6 PRO HA H 1 4.217 0.01 . 1 . 44 . . 6 PRO HA . 25214 1 50 . 1 1 6 6 PRO HB2 H 1 1.949 0.01 . 2 . 47 . . 6 PRO HB2 . 25214 1 51 . 1 1 6 6 PRO HB3 H 1 2.427 0.01 . 2 . 48 . . 6 PRO HB3 . 25214 1 52 . 1 1 6 6 PRO HG2 H 1 2.068 0.01 . 2 . 49 . . 6 PRO HG2 . 25214 1 53 . 1 1 6 6 PRO HG3 H 1 2.228 0.01 . 2 . 50 . . 6 PRO HG3 . 25214 1 54 . 1 1 6 6 PRO HD2 H 1 3.918 0.01 . 2 . 51 . . 6 PRO HD2 . 25214 1 55 . 1 1 6 6 PRO HD3 H 1 3.947 0.01 . 2 . 52 . . 6 PRO HD3 . 25214 1 56 . 1 1 6 6 PRO C C 13 180.240 0.10 . 1 . 45 . . 6 PRO C . 25214 1 57 . 1 1 6 6 PRO CA C 13 66.580 0.10 . 1 . 43 . . 6 PRO CA . 25214 1 58 . 1 1 6 6 PRO CB C 13 32.410 0.10 . 1 . 46 . . 6 PRO CB . 25214 1 59 . 1 1 7 7 GLU H H 1 8.717 0.01 . 1 . 54 . . 7 GLU H . 25214 1 60 . 1 1 7 7 GLU HA H 1 4.006 0.01 . 1 . 56 . . 7 GLU HA . 25214 1 61 . 1 1 7 7 GLU HB2 H 1 1.945 0.01 . 2 . 59 . . 7 GLU HB2 . 25214 1 62 . 1 1 7 7 GLU HB3 H 1 2.024 0.01 . 2 . 60 . . 7 GLU HB3 . 25214 1 63 . 1 1 7 7 GLU HG2 H 1 2.273 0.01 . 2 . 61 . . 7 GLU HG2 . 25214 1 64 . 1 1 7 7 GLU HG3 H 1 2.402 0.01 . 2 . 62 . . 7 GLU HG3 . 25214 1 65 . 1 1 7 7 GLU C C 13 180.000 0.10 . 1 . 57 . . 7 GLU C . 25214 1 66 . 1 1 7 7 GLU CA C 13 60.530 0.10 . 1 . 55 . . 7 GLU CA . 25214 1 67 . 1 1 7 7 GLU CB C 13 29.530 0.10 . 1 . 58 . . 7 GLU CB . 25214 1 68 . 1 1 7 7 GLU N N 15 117.380 0.10 . 1 . 53 . . 7 GLU N . 25214 1 69 . 1 1 8 8 GLU H H 1 7.902 0.01 . 1 . 64 . . 8 GLU H . 25214 1 70 . 1 1 8 8 GLU HA H 1 4.084 0.01 . 1 . 66 . . 8 GLU HA . 25214 1 71 . 1 1 8 8 GLU HB2 H 1 2.346 0.01 . 2 . 69 . . 8 GLU HB2 . 25214 1 72 . 1 1 8 8 GLU HB3 H 1 1.976 0.01 . 2 . 70 . . 8 GLU HB3 . 25214 1 73 . 1 1 8 8 GLU HG2 H 1 2.218 0.01 . 2 . 71 . . 8 GLU HG2 . 25214 1 74 . 1 1 8 8 GLU HG3 H 1 2.326 0.01 . 2 . 72 . . 8 GLU HG3 . 25214 1 75 . 1 1 8 8 GLU C C 13 180.350 0.10 . 1 . 67 . . 8 GLU C . 25214 1 76 . 1 1 8 8 GLU CA C 13 59.620 0.10 . 1 . 65 . . 8 GLU CA . 25214 1 77 . 1 1 8 8 GLU CB C 13 31.200 0.10 . 1 . 68 . . 8 GLU CB . 25214 1 78 . 1 1 8 8 GLU N N 15 122.280 0.10 . 1 . 63 . . 8 GLU N . 25214 1 79 . 1 1 9 9 ILE H H 1 8.422 0.01 . 1 . 74 . . 9 ILE H . 25214 1 80 . 1 1 9 9 ILE HA H 1 3.515 0.01 . 1 . 76 . . 9 ILE HA . 25214 1 81 . 1 1 9 9 ILE HB H 1 1.837 0.01 . 1 . 79 . . 9 ILE HB . 25214 1 82 . 1 1 9 9 ILE HG12 H 1 0.934 0.01 . 2 . 80 . . 9 ILE HG12 . 25214 1 83 . 1 1 9 9 ILE HG13 H 1 1.669 0.01 . 2 . 81 . . 9 ILE HG13 . 25214 1 84 . 1 1 9 9 ILE HG21 H 1 0.829 0.01 . 1 . 83 . . 9 ILE HG21 . 25214 1 85 . 1 1 9 9 ILE HG22 H 1 0.829 0.01 . 1 . 83 . . 9 ILE HG22 . 25214 1 86 . 1 1 9 9 ILE HG23 H 1 0.829 0.01 . 1 . 83 . . 9 ILE HG23 . 25214 1 87 . 1 1 9 9 ILE HD11 H 1 0.778 0.01 . 1 . 85 . . 9 ILE HD11 . 25214 1 88 . 1 1 9 9 ILE HD12 H 1 0.778 0.01 . 1 . 85 . . 9 ILE HD12 . 25214 1 89 . 1 1 9 9 ILE HD13 H 1 0.778 0.01 . 1 . 85 . . 9 ILE HD13 . 25214 1 90 . 1 1 9 9 ILE C C 13 177.590 0.10 . 1 . 77 . . 9 ILE C . 25214 1 91 . 1 1 9 9 ILE CA C 13 66.120 0.10 . 1 . 75 . . 9 ILE CA . 25214 1 92 . 1 1 9 9 ILE CB C 13 38.440 0.10 . 1 . 78 . . 9 ILE CB . 25214 1 93 . 1 1 9 9 ILE CG2 C 13 15.870 0.10 . 1 . 82 . . 9 ILE CG2 . 25214 1 94 . 1 1 9 9 ILE CD1 C 13 11.530 0.10 . 1 . 84 . . 9 ILE CD1 . 25214 1 95 . 1 1 9 9 ILE N N 15 121.190 0.10 . 1 . 73 . . 9 ILE N . 25214 1 96 . 1 1 10 10 LYS H H 1 7.924 0.01 . 1 . 87 . . 10 LYS H . 25214 1 97 . 1 1 10 10 LYS HA H 1 3.605 0.01 . 1 . 89 . . 10 LYS HA . 25214 1 98 . 1 1 10 10 LYS HB2 H 1 1.899 0.01 . 1 . 92 . . 10 LYS HB2 . 25214 1 99 . 1 1 10 10 LYS HB3 H 1 1.899 0.01 . 1 . 93 . . 10 LYS HB3 . 25214 1 100 . 1 1 10 10 LYS HG2 H 1 1.188 0.01 . 2 . 94 . . 10 LYS HG2 . 25214 1 101 . 1 1 10 10 LYS HG3 H 1 1.315 0.01 . 2 . 95 . . 10 LYS HG3 . 25214 1 102 . 1 1 10 10 LYS HD2 H 1 1.682 0.01 . 1 . 96 . . 10 LYS HD2 . 25214 1 103 . 1 1 10 10 LYS HD3 H 1 1.682 0.01 . 1 . 97 . . 10 LYS HD3 . 25214 1 104 . 1 1 10 10 LYS HE2 H 1 3.090 0.01 . 2 . 98 . . 10 LYS HE2 . 25214 1 105 . 1 1 10 10 LYS HE3 H 1 2.892 0.01 . 2 . 99 . . 10 LYS HE3 . 25214 1 106 . 1 1 10 10 LYS C C 13 177.800 0.10 . 1 . 90 . . 10 LYS C . 25214 1 107 . 1 1 10 10 LYS CA C 13 60.910 0.10 . 1 . 88 . . 10 LYS CA . 25214 1 108 . 1 1 10 10 LYS CB C 13 32.960 0.10 . 1 . 91 . . 10 LYS CB . 25214 1 109 . 1 1 10 10 LYS N N 15 120.120 0.10 . 1 . 86 . . 10 LYS N . 25214 1 110 . 1 1 11 11 ALA H H 1 7.700 0.01 . 1 . 101 . . 11 ALA H . 25214 1 111 . 1 1 11 11 ALA HA H 1 4.022 0.01 . 1 . 103 . . 11 ALA HA . 25214 1 112 . 1 1 11 11 ALA HB1 H 1 1.459 0.01 . 1 . 106 . . 11 ALA HB1 . 25214 1 113 . 1 1 11 11 ALA HB2 H 1 1.459 0.01 . 1 . 106 . . 11 ALA HB2 . 25214 1 114 . 1 1 11 11 ALA HB3 H 1 1.459 0.01 . 1 . 106 . . 11 ALA HB3 . 25214 1 115 . 1 1 11 11 ALA C C 13 181.400 0.10 . 1 . 104 . . 11 ALA C . 25214 1 116 . 1 1 11 11 ALA CA C 13 55.800 0.10 . 1 . 102 . . 11 ALA CA . 25214 1 117 . 1 1 11 11 ALA CB C 13 18.620 0.10 . 1 . 105 . . 11 ALA CB . 25214 1 118 . 1 1 11 11 ALA N N 15 119.070 0.10 . 1 . 100 . . 11 ALA N . 25214 1 119 . 1 1 12 12 LYS H H 1 8.050 0.01 . 1 . 108 . . 12 LYS H . 25214 1 120 . 1 1 12 12 LYS HA H 1 4.080 0.01 . 1 . 110 . . 12 LYS HA . 25214 1 121 . 1 1 12 12 LYS HB2 H 1 1.914 0.01 . 2 . 113 . . 12 LYS HB2 . 25214 1 122 . 1 1 12 12 LYS HB3 H 1 1.819 0.01 . 2 . 114 . . 12 LYS HB3 . 25214 1 123 . 1 1 12 12 LYS HG2 H 1 1.602 0.01 . 2 . 115 . . 12 LYS HG2 . 25214 1 124 . 1 1 12 12 LYS HG3 H 1 1.428 0.01 . 2 . 116 . . 12 LYS HG3 . 25214 1 125 . 1 1 12 12 LYS HD2 H 1 1.623 0.01 . 1 . 117 . . 12 LYS HD2 . 25214 1 126 . 1 1 12 12 LYS HD3 H 1 1.623 0.01 . 1 . 118 . . 12 LYS HD3 . 25214 1 127 . 1 1 12 12 LYS HE2 H 1 2.946 0.01 . 2 . 119 . . 12 LYS HE2 . 25214 1 128 . 1 1 12 12 LYS HE3 H 1 2.908 0.01 . 2 . 120 . . 12 LYS HE3 . 25214 1 129 . 1 1 12 12 LYS C C 13 179.910 0.10 . 1 . 111 . . 12 LYS C . 25214 1 130 . 1 1 12 12 LYS CA C 13 59.780 0.10 . 1 . 109 . . 12 LYS CA . 25214 1 131 . 1 1 12 12 LYS CB C 13 33.320 0.10 . 1 . 112 . . 12 LYS CB . 25214 1 132 . 1 1 12 12 LYS N N 15 119.120 0.10 . 1 . 107 . . 12 LYS N . 25214 1 133 . 1 1 13 13 ALA H H 1 8.587 0.01 . 1 . 122 . . 13 ALA H . 25214 1 134 . 1 1 13 13 ALA HA H 1 3.960 0.01 . 1 . 124 . . 13 ALA HA . 25214 1 135 . 1 1 13 13 ALA HB1 H 1 1.379 0.01 . 1 . 127 . . 13 ALA HB1 . 25214 1 136 . 1 1 13 13 ALA HB2 H 1 1.379 0.01 . 1 . 127 . . 13 ALA HB2 . 25214 1 137 . 1 1 13 13 ALA HB3 H 1 1.379 0.01 . 1 . 127 . . 13 ALA HB3 . 25214 1 138 . 1 1 13 13 ALA C C 13 179.530 0.10 . 1 . 125 . . 13 ALA C . 25214 1 139 . 1 1 13 13 ALA CA C 13 55.810 0.10 . 1 . 123 . . 13 ALA CA . 25214 1 140 . 1 1 13 13 ALA CB C 13 20.290 0.10 . 1 . 126 . . 13 ALA CB . 25214 1 141 . 1 1 13 13 ALA N N 15 122.100 0.10 . 1 . 121 . . 13 ALA N . 25214 1 142 . 1 1 14 14 LEU H H 1 8.555 0.01 . 1 . 129 . . 14 LEU H . 25214 1 143 . 1 1 14 14 LEU HA H 1 3.963 0.01 . 1 . 131 . . 14 LEU HA . 25214 1 144 . 1 1 14 14 LEU HB2 H 1 1.397 0.01 . 1 . 134 . . 14 LEU HB2 . 25214 1 145 . 1 1 14 14 LEU HB3 H 1 1.831 0.01 . 1 . 135 . . 14 LEU HB3 . 25214 1 146 . 1 1 14 14 LEU HG H 1 1.756 0.01 . 1 . 136 . . 14 LEU HG . 25214 1 147 . 1 1 14 14 LEU HD11 H 1 0.826 0.01 . 2 . 137 . . 14 LEU HD11 . 25214 1 148 . 1 1 14 14 LEU HD12 H 1 0.826 0.01 . 2 . 137 . . 14 LEU HD12 . 25214 1 149 . 1 1 14 14 LEU HD13 H 1 0.826 0.01 . 2 . 137 . . 14 LEU HD13 . 25214 1 150 . 1 1 14 14 LEU HD21 H 1 0.863 0.01 . 2 . 138 . . 14 LEU HD21 . 25214 1 151 . 1 1 14 14 LEU HD22 H 1 0.863 0.01 . 2 . 138 . . 14 LEU HD22 . 25214 1 152 . 1 1 14 14 LEU HD23 H 1 0.863 0.01 . 2 . 138 . . 14 LEU HD23 . 25214 1 153 . 1 1 14 14 LEU C C 13 179.980 0.10 . 1 . 132 . . 14 LEU C . 25214 1 154 . 1 1 14 14 LEU CA C 13 58.680 0.10 . 1 . 130 . . 14 LEU CA . 25214 1 155 . 1 1 14 14 LEU CB C 13 41.470 0.10 . 1 . 133 . . 14 LEU CB . 25214 1 156 . 1 1 14 14 LEU N N 15 117.020 0.10 . 1 . 128 . . 14 LEU N . 25214 1 157 . 1 1 15 15 ASP H H 1 8.005 0.01 . 1 . 140 . . 15 ASP H . 25214 1 158 . 1 1 15 15 ASP HA H 1 4.420 0.01 . 1 . 142 . . 15 ASP HA . 25214 1 159 . 1 1 15 15 ASP HB2 H 1 2.742 0.01 . 1 . 145 . . 15 ASP HB2 . 25214 1 160 . 1 1 15 15 ASP HB3 H 1 2.742 0.01 . 1 . 146 . . 15 ASP HB3 . 25214 1 161 . 1 1 15 15 ASP C C 13 178.830 0.10 . 1 . 143 . . 15 ASP C . 25214 1 162 . 1 1 15 15 ASP CA C 13 58.300 0.10 . 1 . 141 . . 15 ASP CA . 25214 1 163 . 1 1 15 15 ASP CB C 13 41.990 0.10 . 1 . 144 . . 15 ASP CB . 25214 1 164 . 1 1 15 15 ASP N N 15 120.590 0.10 . 1 . 139 . . 15 ASP N . 25214 1 165 . 1 1 16 16 LEU H H 1 7.755 0.01 . 1 . 148 . . 16 LEU H . 25214 1 166 . 1 1 16 16 LEU HA H 1 4.053 0.01 . 1 . 150 . . 16 LEU HA . 25214 1 167 . 1 1 16 16 LEU HB2 H 1 1.744 0.01 . 2 . 153 . . 16 LEU HB2 . 25214 1 168 . 1 1 16 16 LEU HB3 H 1 1.792 0.01 . 2 . 154 . . 16 LEU HB3 . 25214 1 169 . 1 1 16 16 LEU HG H 1 1.575 0.01 . 1 . 155 . . 16 LEU HG . 25214 1 170 . 1 1 16 16 LEU HD11 H 1 0.913 0.01 . 2 . 157 . . 16 LEU HD11 . 25214 1 171 . 1 1 16 16 LEU HD12 H 1 0.913 0.01 . 2 . 157 . . 16 LEU HD12 . 25214 1 172 . 1 1 16 16 LEU HD13 H 1 0.913 0.01 . 2 . 157 . . 16 LEU HD13 . 25214 1 173 . 1 1 16 16 LEU HD21 H 1 0.823 0.01 . 2 . 159 . . 16 LEU HD21 . 25214 1 174 . 1 1 16 16 LEU HD22 H 1 0.823 0.01 . 2 . 159 . . 16 LEU HD22 . 25214 1 175 . 1 1 16 16 LEU HD23 H 1 0.823 0.01 . 2 . 159 . . 16 LEU HD23 . 25214 1 176 . 1 1 16 16 LEU C C 13 180.610 0.10 . 1 . 151 . . 16 LEU C . 25214 1 177 . 1 1 16 16 LEU CA C 13 58.850 0.10 . 1 . 149 . . 16 LEU CA . 25214 1 178 . 1 1 16 16 LEU CB C 13 42.770 0.10 . 1 . 152 . . 16 LEU CB . 25214 1 179 . 1 1 16 16 LEU CD1 C 13 22.640 0.10 . 1 . 156 . . 16 LEU CD1 . 25214 1 180 . 1 1 16 16 LEU CD2 C 13 22.700 0.10 . 1 . 158 . . 16 LEU CD2 . 25214 1 181 . 1 1 16 16 LEU N N 15 119.430 0.10 . 1 . 147 . . 16 LEU N . 25214 1 182 . 1 1 17 17 LEU H H 1 8.756 0.01 . 1 . 161 . . 17 LEU H . 25214 1 183 . 1 1 17 17 LEU HA H 1 3.867 0.01 . 1 . 163 . . 17 LEU HA . 25214 1 184 . 1 1 17 17 LEU HB2 H 1 1.348 0.01 . 1 . 166 . . 17 LEU HB2 . 25214 1 185 . 1 1 17 17 LEU HB3 H 1 1.818 0.01 . 1 . 167 . . 17 LEU HB3 . 25214 1 186 . 1 1 17 17 LEU HG H 1 1.836 0.01 . 1 . 168 . . 17 LEU HG . 25214 1 187 . 1 1 17 17 LEU HD11 H 1 0.702 0.01 . 2 . 170 . . 17 LEU HD11 . 25214 1 188 . 1 1 17 17 LEU HD12 H 1 0.702 0.01 . 2 . 170 . . 17 LEU HD12 . 25214 1 189 . 1 1 17 17 LEU HD13 H 1 0.702 0.01 . 2 . 170 . . 17 LEU HD13 . 25214 1 190 . 1 1 17 17 LEU HD21 H 1 0.805 0.01 . 2 . 172 . . 17 LEU HD21 . 25214 1 191 . 1 1 17 17 LEU HD22 H 1 0.805 0.01 . 2 . 172 . . 17 LEU HD22 . 25214 1 192 . 1 1 17 17 LEU HD23 H 1 0.805 0.01 . 2 . 172 . . 17 LEU HD23 . 25214 1 193 . 1 1 17 17 LEU C C 13 179.580 0.10 . 1 . 164 . . 17 LEU C . 25214 1 194 . 1 1 17 17 LEU CA C 13 58.730 0.10 . 1 . 162 . . 17 LEU CA . 25214 1 195 . 1 1 17 17 LEU CB C 13 43.320 0.10 . 1 . 165 . . 17 LEU CB . 25214 1 196 . 1 1 17 17 LEU CD1 C 13 23.870 0.10 . 1 . 169 . . 17 LEU CD1 . 25214 1 197 . 1 1 17 17 LEU CD2 C 13 21.100 0.10 . 1 . 171 . . 17 LEU CD2 . 25214 1 198 . 1 1 17 17 LEU N N 15 118.860 0.10 . 1 . 160 . . 17 LEU N . 25214 1 199 . 1 1 18 18 ASN H H 1 8.669 0.01 . 1 . 174 . . 18 ASN H . 25214 1 200 . 1 1 18 18 ASN HA H 1 4.393 0.01 . 1 . 176 . . 18 ASN HA . 25214 1 201 . 1 1 18 18 ASN HB2 H 1 2.524 0.01 . 1 . 179 . . 18 ASN HB2 . 25214 1 202 . 1 1 18 18 ASN HB3 H 1 3.009 0.01 . 1 . 180 . . 18 ASN HB3 . 25214 1 203 . 1 1 18 18 ASN HD21 H 1 6.921 0.01 . 1 . 181 . . 18 ASN HD21 . 25214 1 204 . 1 1 18 18 ASN HD22 H 1 7.422 0.01 . 1 . 182 . . 18 ASN HD22 . 25214 1 205 . 1 1 18 18 ASN C C 13 179.160 0.10 . 1 . 177 . . 18 ASN C . 25214 1 206 . 1 1 18 18 ASN CA C 13 57.660 0.10 . 1 . 175 . . 18 ASN CA . 25214 1 207 . 1 1 18 18 ASN CB C 13 39.070 0.10 . 1 . 178 . . 18 ASN CB . 25214 1 208 . 1 1 18 18 ASN N N 15 117.600 0.10 . 1 . 173 . . 18 ASN N . 25214 1 209 . 1 1 19 19 LYS H H 1 7.993 0.01 . 1 . 184 . . 19 LYS H . 25214 1 210 . 1 1 19 19 LYS HA H 1 4.081 0.01 . 1 . 186 . . 19 LYS HA . 25214 1 211 . 1 1 19 19 LYS HB2 H 1 2.009 0.01 . 2 . 189 . . 19 LYS HB2 . 25214 1 212 . 1 1 19 19 LYS HB3 H 1 1.908 0.01 . 2 . 190 . . 19 LYS HB3 . 25214 1 213 . 1 1 19 19 LYS HG2 H 1 1.569 0.01 . 2 . 191 . . 19 LYS HG2 . 25214 1 214 . 1 1 19 19 LYS HG3 H 1 1.386 0.01 . 2 . 192 . . 19 LYS HG3 . 25214 1 215 . 1 1 19 19 LYS HD2 H 1 1.631 0.01 . 1 . 193 . . 19 LYS HD2 . 25214 1 216 . 1 1 19 19 LYS HE2 H 1 2.925 0.01 . 1 . 194 . . 19 LYS HE2 . 25214 1 217 . 1 1 19 19 LYS HE3 H 1 2.925 0.01 . 1 . 195 . . 19 LYS HE3 . 25214 1 218 . 1 1 19 19 LYS C C 13 180.580 0.10 . 1 . 187 . . 19 LYS C . 25214 1 219 . 1 1 19 19 LYS CA C 13 60.810 0.10 . 1 . 185 . . 19 LYS CA . 25214 1 220 . 1 1 19 19 LYS CB C 13 32.750 0.10 . 1 . 188 . . 19 LYS CB . 25214 1 221 . 1 1 19 19 LYS N N 15 121.770 0.10 . 1 . 183 . . 19 LYS N . 25214 1 222 . 1 1 20 20 LYS H H 1 8.058 0.01 . 1 . 197 . . 20 LYS H . 25214 1 223 . 1 1 20 20 LYS HA H 1 3.957 0.01 . 1 . 199 . . 20 LYS HA . 25214 1 224 . 1 1 20 20 LYS HB2 H 1 1.823 0.01 . 2 . 202 . . 20 LYS HB2 . 25214 1 225 . 1 1 20 20 LYS HB3 H 1 2.069 0.01 . 2 . 203 . . 20 LYS HB3 . 25214 1 226 . 1 1 20 20 LYS HG2 H 1 1.404 0.01 . 1 . 204 . . 20 LYS HG2 . 25214 1 227 . 1 1 20 20 LYS HG3 H 1 1.404 0.01 . 1 . 205 . . 20 LYS HG3 . 25214 1 228 . 1 1 20 20 LYS HD2 H 1 1.638 0.01 . 2 . 206 . . 20 LYS HD2 . 25214 1 229 . 1 1 20 20 LYS HD3 H 1 1.569 0.01 . 2 . 207 . . 20 LYS HD3 . 25214 1 230 . 1 1 20 20 LYS HE2 H 1 2.801 0.01 . 1 . 208 . . 20 LYS HE2 . 25214 1 231 . 1 1 20 20 LYS HE3 H 1 2.801 0.01 . 1 . 209 . . 20 LYS HE3 . 25214 1 232 . 1 1 20 20 LYS C C 13 180.130 0.10 . 1 . 200 . . 20 LYS C . 25214 1 233 . 1 1 20 20 LYS CA C 13 60.750 0.10 . 1 . 198 . . 20 LYS CA . 25214 1 234 . 1 1 20 20 LYS CB C 13 33.710 0.10 . 1 . 201 . . 20 LYS CB . 25214 1 235 . 1 1 20 20 LYS N N 15 120.230 0.10 . 1 . 196 . . 20 LYS N . 25214 1 236 . 1 1 21 21 LEU H H 1 8.613 0.01 . 1 . 211 . . 21 LEU H . 25214 1 237 . 1 1 21 21 LEU HA H 1 3.979 0.01 . 1 . 213 . . 21 LEU HA . 25214 1 238 . 1 1 21 21 LEU HB2 H 1 1.976 0.01 . 1 . 216 . . 21 LEU HB2 . 25214 1 239 . 1 1 21 21 LEU HB3 H 1 1.403 0.01 . 1 . 217 . . 21 LEU HB3 . 25214 1 240 . 1 1 21 21 LEU HG H 1 1.501 0.01 . 1 . 218 . . 21 LEU HG . 25214 1 241 . 1 1 21 21 LEU HD11 H 1 0.923 0.01 . 2 . 220 . . 21 LEU HD11 . 25214 1 242 . 1 1 21 21 LEU HD12 H 1 0.923 0.01 . 2 . 220 . . 21 LEU HD12 . 25214 1 243 . 1 1 21 21 LEU HD13 H 1 0.923 0.01 . 2 . 220 . . 21 LEU HD13 . 25214 1 244 . 1 1 21 21 LEU HD21 H 1 0.828 0.01 . 2 . 222 . . 21 LEU HD21 . 25214 1 245 . 1 1 21 21 LEU HD22 H 1 0.828 0.01 . 2 . 222 . . 21 LEU HD22 . 25214 1 246 . 1 1 21 21 LEU HD23 H 1 0.828 0.01 . 2 . 222 . . 21 LEU HD23 . 25214 1 247 . 1 1 21 21 LEU C C 13 178.500 0.10 . 1 . 214 . . 21 LEU C . 25214 1 248 . 1 1 21 21 LEU CA C 13 58.600 0.10 . 1 . 212 . . 21 LEU CA . 25214 1 249 . 1 1 21 21 LEU CB C 13 42.520 0.10 . 1 . 215 . . 21 LEU CB . 25214 1 250 . 1 1 21 21 LEU CD1 C 13 22.700 0.10 . 1 . 219 . . 21 LEU CD1 . 25214 1 251 . 1 1 21 21 LEU CD2 C 13 24.290 0.10 . 1 . 221 . . 21 LEU CD2 . 25214 1 252 . 1 1 21 21 LEU N N 15 122.930 0.10 . 1 . 210 . . 21 LEU N . 25214 1 253 . 1 1 22 22 HIS H H 1 8.336 0.01 . 1 . 224 . . 22 HIS H . 25214 1 254 . 1 1 22 22 HIS HA H 1 4.402 0.01 . 1 . 226 . . 22 HIS HA . 25214 1 255 . 1 1 22 22 HIS HB2 H 1 3.242 0.01 . 1 . 229 . . 22 HIS HB2 . 25214 1 256 . 1 1 22 22 HIS HB3 H 1 3.242 0.01 . 1 . 230 . . 22 HIS HB3 . 25214 1 257 . 1 1 22 22 HIS HD2 H 1 7.091 0.01 . 1 . 231 . . 22 HIS HD2 . 25214 1 258 . 1 1 22 22 HIS HE1 H 1 8.059 0.01 . 1 . 232 . . 22 HIS HE1 . 25214 1 259 . 1 1 22 22 HIS C C 13 178.420 0.10 . 1 . 227 . . 22 HIS C . 25214 1 260 . 1 1 22 22 HIS CA C 13 59.700 0.10 . 1 . 225 . . 22 HIS CA . 25214 1 261 . 1 1 22 22 HIS CB C 13 29.890 0.10 . 1 . 228 . . 22 HIS CB . 25214 1 262 . 1 1 22 22 HIS N N 15 118.420 0.10 . 1 . 223 . . 22 HIS N . 25214 1 263 . 1 1 23 23 ARG H H 1 7.817 0.01 . 1 . 234 . . 23 ARG H . 25214 1 264 . 1 1 23 23 ARG HA H 1 3.994 0.01 . 1 . 236 . . 23 ARG HA . 25214 1 265 . 1 1 23 23 ARG HB2 H 1 1.927 0.01 . 1 . 239 . . 23 ARG HB2 . 25214 1 266 . 1 1 23 23 ARG HB3 H 1 1.927 0.01 . 1 . 240 . . 23 ARG HB3 . 25214 1 267 . 1 1 23 23 ARG HG2 H 1 1.799 0.01 . 2 . 241 . . 23 ARG HG2 . 25214 1 268 . 1 1 23 23 ARG HG3 H 1 1.655 0.01 . 2 . 242 . . 23 ARG HG3 . 25214 1 269 . 1 1 23 23 ARG HD2 H 1 3.163 0.01 . 1 . 243 . . 23 ARG HD2 . 25214 1 270 . 1 1 23 23 ARG HD3 H 1 3.163 0.01 . 1 . 244 . . 23 ARG HD3 . 25214 1 271 . 1 1 23 23 ARG HE H 1 7.265 0.01 . 1 . 245 . . 23 ARG HE . 25214 1 272 . 1 1 23 23 ARG C C 13 178.050 0.10 . 1 . 237 . . 23 ARG C . 25214 1 273 . 1 1 23 23 ARG CA C 13 59.870 0.10 . 1 . 235 . . 23 ARG CA . 25214 1 274 . 1 1 23 23 ARG CB C 13 30.750 0.10 . 1 . 238 . . 23 ARG CB . 25214 1 275 . 1 1 23 23 ARG N N 15 118.900 0.10 . 1 . 233 . . 23 ARG N . 25214 1 276 . 1 1 24 24 ALA H H 1 8.149 0.01 . 1 . 247 . . 24 ALA H . 25214 1 277 . 1 1 24 24 ALA HA H 1 4.149 0.01 . 1 . 249 . . 24 ALA HA . 25214 1 278 . 1 1 24 24 ALA HB1 H 1 1.328 0.01 . 1 . 252 . . 24 ALA HB1 . 25214 1 279 . 1 1 24 24 ALA HB2 H 1 1.328 0.01 . 1 . 252 . . 24 ALA HB2 . 25214 1 280 . 1 1 24 24 ALA HB3 H 1 1.328 0.01 . 1 . 252 . . 24 ALA HB3 . 25214 1 281 . 1 1 24 24 ALA C C 13 180.030 0.10 . 1 . 250 . . 24 ALA C . 25214 1 282 . 1 1 24 24 ALA CA C 13 55.250 0.10 . 1 . 248 . . 24 ALA CA . 25214 1 283 . 1 1 24 24 ALA CB C 13 19.150 0.10 . 1 . 251 . . 24 ALA CB . 25214 1 284 . 1 1 24 24 ALA N N 15 121.930 0.10 . 1 . 246 . . 24 ALA N . 25214 1 285 . 1 1 25 25 ASN H H 1 8.167 0.01 . 1 . 254 . . 25 ASN H . 25214 1 286 . 1 1 25 25 ASN HA H 1 4.407 0.01 . 1 . 256 . . 25 ASN HA . 25214 1 287 . 1 1 25 25 ASN HB2 H 1 2.670 0.01 . 2 . 259 . . 25 ASN HB2 . 25214 1 288 . 1 1 25 25 ASN HB3 H 1 2.756 0.01 . 2 . 260 . . 25 ASN HB3 . 25214 1 289 . 1 1 25 25 ASN HD21 H 1 6.769 0.01 . 1 . 261 . . 25 ASN HD21 . 25214 1 290 . 1 1 25 25 ASN HD22 H 1 7.343 0.01 . 1 . 262 . . 25 ASN HD22 . 25214 1 291 . 1 1 25 25 ASN C C 13 177.790 0.10 . 1 . 257 . . 25 ASN C . 25214 1 292 . 1 1 25 25 ASN CA C 13 55.920 0.10 . 1 . 255 . . 25 ASN CA . 25214 1 293 . 1 1 25 25 ASN CB C 13 39.720 0.10 . 1 . 258 . . 25 ASN CB . 25214 1 294 . 1 1 25 25 ASN N N 15 115.330 0.10 . 1 . 253 . . 25 ASN N . 25214 1 295 . 1 1 26 26 LYS H H 1 8.013 0.01 . 1 . 264 . . 26 LYS H . 25214 1 296 . 1 1 26 26 LYS HA H 1 3.937 0.01 . 1 . 266 . . 26 LYS HA . 25214 1 297 . 1 1 26 26 LYS HB2 H 1 1.534 0.01 . 1 . 269 . . 26 LYS HB2 . 25214 1 298 . 1 1 26 26 LYS HB3 H 1 1.534 0.01 . 1 . 270 . . 26 LYS HB3 . 25214 1 299 . 1 1 26 26 LYS HG2 H 1 1.073 0.01 . 2 . 271 . . 26 LYS HG2 . 25214 1 300 . 1 1 26 26 LYS HG3 H 1 0.831 0.01 . 2 . 272 . . 26 LYS HG3 . 25214 1 301 . 1 1 26 26 LYS HD2 H 1 1.459 0.01 . 2 . 273 . . 26 LYS HD2 . 25214 1 302 . 1 1 26 26 LYS HD3 H 1 1.383 0.01 . 2 . 274 . . 26 LYS HD3 . 25214 1 303 . 1 1 26 26 LYS HE2 H 1 2.782 0.01 . 1 . 275 . . 26 LYS HE2 . 25214 1 304 . 1 1 26 26 LYS HE3 H 1 2.782 0.01 . 1 . 276 . . 26 LYS HE3 . 25214 1 305 . 1 1 26 26 LYS C C 13 178.260 0.10 . 1 . 267 . . 26 LYS C . 25214 1 306 . 1 1 26 26 LYS CA C 13 58.720 0.10 . 1 . 265 . . 26 LYS CA . 25214 1 307 . 1 1 26 26 LYS CB C 13 33.020 0.10 . 1 . 268 . . 26 LYS CB . 25214 1 308 . 1 1 26 26 LYS N N 15 120.800 0.10 . 1 . 263 . . 26 LYS N . 25214 1 309 . 1 1 27 27 PHE H H 1 8.200 0.01 . 1 . 278 . . 27 PHE H . 25214 1 310 . 1 1 27 27 PHE HA H 1 4.614 0.01 . 1 . 280 . . 27 PHE HA . 25214 1 311 . 1 1 27 27 PHE HB2 H 1 3.250 0.01 . 1 . 283 . . 27 PHE HB2 . 25214 1 312 . 1 1 27 27 PHE HB3 H 1 3.000 0.01 . 1 . 284 . . 27 PHE HB3 . 25214 1 313 . 1 1 27 27 PHE HD1 H 1 7.345 0.01 . 1 . 286 . . 27 PHE HD1 . 25214 1 314 . 1 1 27 27 PHE HD2 H 1 7.345 0.01 . 1 . 287 . . 27 PHE HD2 . 25214 1 315 . 1 1 27 27 PHE HE1 H 1 7.314 0.01 . 1 . 288 . . 27 PHE HE1 . 25214 1 316 . 1 1 27 27 PHE HE2 H 1 7.314 0.01 . 1 . 289 . . 27 PHE HE2 . 25214 1 317 . 1 1 27 27 PHE HZ H 1 7.266 0.01 . 1 . 285 . . 27 PHE HZ . 25214 1 318 . 1 1 27 27 PHE C C 13 177.220 0.10 . 1 . 281 . . 27 PHE C . 25214 1 319 . 1 1 27 27 PHE CA C 13 58.440 0.10 . 1 . 279 . . 27 PHE CA . 25214 1 320 . 1 1 27 27 PHE CB C 13 39.200 0.10 . 1 . 282 . . 27 PHE CB . 25214 1 321 . 1 1 27 27 PHE N N 15 115.850 0.10 . 1 . 277 . . 27 PHE N . 25214 1 322 . 1 1 28 28 GLY H H 1 7.848 0.01 . 1 . 291 . . 28 GLY H . 25214 1 323 . 1 1 28 28 GLY HA2 H 1 3.916 0.01 . 2 . 293 . . 28 GLY HA2 . 25214 1 324 . 1 1 28 28 GLY HA3 H 1 3.884 0.01 . 2 . 294 . . 28 GLY HA3 . 25214 1 325 . 1 1 28 28 GLY C C 13 175.610 0.10 . 1 . 295 . . 28 GLY C . 25214 1 326 . 1 1 28 28 GLY CA C 13 47.340 0.10 . 1 . 292 . . 28 GLY CA . 25214 1 327 . 1 1 28 28 GLY N N 15 109.240 0.10 . 1 . 290 . . 28 GLY N . 25214 1 328 . 1 1 29 29 GLN H H 1 8.012 0.01 . 1 . 297 . . 29 GLN H . 25214 1 329 . 1 1 29 29 GLN HA H 1 4.186 0.01 . 1 . 299 . . 29 GLN HA . 25214 1 330 . 1 1 29 29 GLN HB2 H 1 2.219 0.01 . 2 . 302 . . 29 GLN HB2 . 25214 1 331 . 1 1 29 29 GLN HB3 H 1 1.839 0.01 . 2 . 303 . . 29 GLN HB3 . 25214 1 332 . 1 1 29 29 GLN HG2 H 1 2.404 0.01 . 2 . 304 . . 29 GLN HG2 . 25214 1 333 . 1 1 29 29 GLN HG3 H 1 2.321 0.01 . 2 . 305 . . 29 GLN HG3 . 25214 1 334 . 1 1 29 29 GLN HE21 H 1 6.729 0.01 . 1 . 306 . . 29 GLN HE21 . 25214 1 335 . 1 1 29 29 GLN HE22 H 1 7.721 0.01 . 1 . 307 . . 29 GLN HE22 . 25214 1 336 . 1 1 29 29 GLN C C 13 175.180 0.10 . 1 . 300 . . 29 GLN C . 25214 1 337 . 1 1 29 29 GLN CA C 13 56.930 0.10 . 1 . 298 . . 29 GLN CA . 25214 1 338 . 1 1 29 29 GLN CB C 13 30.090 0.10 . 1 . 301 . . 29 GLN CB . 25214 1 339 . 1 1 29 29 GLN N N 15 117.520 0.10 . 1 . 296 . . 29 GLN N . 25214 1 340 . 1 1 30 30 ASP H H 1 8.440 0.01 . 1 . 309 . . 30 ASP H . 25214 1 341 . 1 1 30 30 ASP HA H 1 4.489 0.01 . 1 . 311 . . 30 ASP HA . 25214 1 342 . 1 1 30 30 ASP HB2 H 1 2.615 0.01 . 2 . 314 . . 30 ASP HB2 . 25214 1 343 . 1 1 30 30 ASP HB3 H 1 2.791 0.01 . 2 . 315 . . 30 ASP HB3 . 25214 1 344 . 1 1 30 30 ASP C C 13 177.260 0.10 . 1 . 312 . . 30 ASP C . 25214 1 345 . 1 1 30 30 ASP CA C 13 54.770 0.10 . 1 . 310 . . 30 ASP CA . 25214 1 346 . 1 1 30 30 ASP CB C 13 42.470 0.10 . 1 . 313 . . 30 ASP CB . 25214 1 347 . 1 1 30 30 ASP N N 15 119.600 0.10 . 1 . 308 . . 30 ASP N . 25214 1 348 . 1 1 31 31 GLN H H 1 8.663 0.01 . 1 . 317 . . 31 GLN H . 25214 1 349 . 1 1 31 31 GLN HA H 1 3.794 0.01 . 1 . 319 . . 31 GLN HA . 25214 1 350 . 1 1 31 31 GLN HB2 H 1 2.163 0.01 . 2 . 322 . . 31 GLN HB2 . 25214 1 351 . 1 1 31 31 GLN HB3 H 1 1.963 0.01 . 2 . 323 . . 31 GLN HB3 . 25214 1 352 . 1 1 31 31 GLN HG2 H 1 2.410 0.01 . 2 . 324 . . 31 GLN HG2 . 25214 1 353 . 1 1 31 31 GLN HG3 H 1 2.375 0.01 . 2 . 325 . . 31 GLN HG3 . 25214 1 354 . 1 1 31 31 GLN HE21 H 1 6.834 0.01 . 1 . 326 . . 31 GLN HE21 . 25214 1 355 . 1 1 31 31 GLN HE22 H 1 7.833 0.01 . 1 . 327 . . 31 GLN HE22 . 25214 1 356 . 1 1 31 31 GLN C C 13 177.660 0.10 . 1 . 320 . . 31 GLN C . 25214 1 357 . 1 1 31 31 GLN CA C 13 58.660 0.10 . 1 . 318 . . 31 GLN CA . 25214 1 358 . 1 1 31 31 GLN CB C 13 28.960 0.10 . 1 . 321 . . 31 GLN CB . 25214 1 359 . 1 1 31 31 GLN N N 15 124.100 0.10 . 1 . 316 . . 31 GLN N . 25214 1 360 . 1 1 32 32 ALA H H 1 8.584 0.01 . 1 . 329 . . 32 ALA H . 25214 1 361 . 1 1 32 32 ALA HA H 1 4.167 0.01 . 1 . 331 . . 32 ALA HA . 25214 1 362 . 1 1 32 32 ALA HB1 H 1 1.404 0.01 . 1 . 334 . . 32 ALA HB1 . 25214 1 363 . 1 1 32 32 ALA HB2 H 1 1.404 0.01 . 1 . 334 . . 32 ALA HB2 . 25214 1 364 . 1 1 32 32 ALA HB3 H 1 1.404 0.01 . 1 . 334 . . 32 ALA HB3 . 25214 1 365 . 1 1 32 32 ALA C C 13 181.160 0.10 . 1 . 332 . . 32 ALA C . 25214 1 366 . 1 1 32 32 ALA CA C 13 55.590 0.10 . 1 . 330 . . 32 ALA CA . 25214 1 367 . 1 1 32 32 ALA CB C 13 18.770 0.10 . 1 . 333 . . 32 ALA CB . 25214 1 368 . 1 1 32 32 ALA N N 15 120.430 0.10 . 1 . 328 . . 32 ALA N . 25214 1 369 . 1 1 33 33 ASP H H 1 7.682 0.01 . 1 . 336 . . 33 ASP H . 25214 1 370 . 1 1 33 33 ASP HA H 1 4.408 0.01 . 1 . 338 . . 33 ASP HA . 25214 1 371 . 1 1 33 33 ASP HB2 H 1 2.609 0.01 . 2 . 341 . . 33 ASP HB2 . 25214 1 372 . 1 1 33 33 ASP HB3 H 1 2.815 0.01 . 2 . 342 . . 33 ASP HB3 . 25214 1 373 . 1 1 33 33 ASP C C 13 179.010 0.10 . 1 . 339 . . 33 ASP C . 25214 1 374 . 1 1 33 33 ASP CA C 13 57.170 0.10 . 1 . 337 . . 33 ASP CA . 25214 1 375 . 1 1 33 33 ASP CB C 13 40.960 0.10 . 1 . 340 . . 33 ASP CB . 25214 1 376 . 1 1 33 33 ASP N N 15 119.030 0.10 . 1 . 335 . . 33 ASP N . 25214 1 377 . 1 1 34 34 ILE H H 1 7.432 0.01 . 1 . 344 . . 34 ILE H . 25214 1 378 . 1 1 34 34 ILE HA H 1 3.404 0.01 . 1 . 346 . . 34 ILE HA . 25214 1 379 . 1 1 34 34 ILE HB H 1 1.865 0.01 . 1 . 349 . . 34 ILE HB . 25214 1 380 . 1 1 34 34 ILE HG12 H 1 1.453 0.01 . 2 . 350 . . 34 ILE HG12 . 25214 1 381 . 1 1 34 34 ILE HG13 H 1 0.882 0.01 . 2 . 351 . . 34 ILE HG13 . 25214 1 382 . 1 1 34 34 ILE HG21 H 1 0.860 0.01 . 1 . 353 . . 34 ILE HG21 . 25214 1 383 . 1 1 34 34 ILE HG22 H 1 0.860 0.01 . 1 . 353 . . 34 ILE HG22 . 25214 1 384 . 1 1 34 34 ILE HG23 H 1 0.860 0.01 . 1 . 353 . . 34 ILE HG23 . 25214 1 385 . 1 1 34 34 ILE HD11 H 1 0.693 0.01 . 1 . 355 . . 34 ILE HD11 . 25214 1 386 . 1 1 34 34 ILE HD12 H 1 0.693 0.01 . 1 . 355 . . 34 ILE HD12 . 25214 1 387 . 1 1 34 34 ILE HD13 H 1 0.693 0.01 . 1 . 355 . . 34 ILE HD13 . 25214 1 388 . 1 1 34 34 ILE C C 13 178.060 0.10 . 1 . 347 . . 34 ILE C . 25214 1 389 . 1 1 34 34 ILE CA C 13 65.980 0.10 . 1 . 345 . . 34 ILE CA . 25214 1 390 . 1 1 34 34 ILE CB C 13 38.370 0.10 . 1 . 348 . . 34 ILE CB . 25214 1 391 . 1 1 34 34 ILE CG2 C 13 15.340 0.10 . 1 . 352 . . 34 ILE CG2 . 25214 1 392 . 1 1 34 34 ILE CD1 C 13 11.300 0.10 . 1 . 354 . . 34 ILE CD1 . 25214 1 393 . 1 1 34 34 ILE N N 15 121.610 0.10 . 1 . 343 . . 34 ILE N . 25214 1 394 . 1 1 35 35 ASP H H 1 8.678 0.01 . 1 . 357 . . 35 ASP H . 25214 1 395 . 1 1 35 35 ASP HA H 1 4.321 0.01 . 1 . 359 . . 35 ASP HA . 25214 1 396 . 1 1 35 35 ASP HB2 H 1 2.600 0.01 . 2 . 362 . . 35 ASP HB2 . 25214 1 397 . 1 1 35 35 ASP HB3 H 1 2.713 0.01 . 2 . 363 . . 35 ASP HB3 . 25214 1 398 . 1 1 35 35 ASP C C 13 179.660 0.10 . 1 . 360 . . 35 ASP C . 25214 1 399 . 1 1 35 35 ASP CA C 13 57.930 0.10 . 1 . 358 . . 35 ASP CA . 25214 1 400 . 1 1 35 35 ASP CB C 13 40.880 0.10 . 1 . 361 . . 35 ASP CB . 25214 1 401 . 1 1 35 35 ASP N N 15 119.260 0.10 . 1 . 356 . . 35 ASP N . 25214 1 402 . 1 1 36 36 SER H H 1 7.882 0.01 . 1 . 365 . . 36 SER H . 25214 1 403 . 1 1 36 36 SER HA H 1 4.109 0.01 . 1 . 367 . . 36 SER HA . 25214 1 404 . 1 1 36 36 SER HB2 H 1 3.999 0.01 . 2 . 370 . . 36 SER HB2 . 25214 1 405 . 1 1 36 36 SER HB3 H 1 4.017 0.01 . 2 . 371 . . 36 SER HB3 . 25214 1 406 . 1 1 36 36 SER C C 13 178.370 0.10 . 1 . 368 . . 36 SER C . 25214 1 407 . 1 1 36 36 SER CA C 13 61.890 0.10 . 1 . 366 . . 36 SER CA . 25214 1 408 . 1 1 36 36 SER CB C 13 63.320 0.10 . 1 . 369 . . 36 SER CB . 25214 1 409 . 1 1 36 36 SER N N 15 113.760 0.10 . 1 . 364 . . 36 SER N . 25214 1 410 . 1 1 37 37 LEU H H 1 7.947 0.01 . 1 . 373 . . 37 LEU H . 25214 1 411 . 1 1 37 37 LEU HA H 1 4.112 0.01 . 1 . 375 . . 37 LEU HA . 25214 1 412 . 1 1 37 37 LEU HB2 H 1 1.208 0.01 . 1 . 378 . . 37 LEU HB2 . 25214 1 413 . 1 1 37 37 LEU HB3 H 1 2.061 0.01 . 1 . 379 . . 37 LEU HB3 . 25214 1 414 . 1 1 37 37 LEU HG H 1 1.771 0.01 . 1 . 380 . . 37 LEU HG . 25214 1 415 . 1 1 37 37 LEU HD11 H 1 0.704 0.01 . 2 . 382 . . 37 LEU HD11 . 25214 1 416 . 1 1 37 37 LEU HD12 H 1 0.704 0.01 . 2 . 382 . . 37 LEU HD12 . 25214 1 417 . 1 1 37 37 LEU HD13 H 1 0.704 0.01 . 2 . 382 . . 37 LEU HD13 . 25214 1 418 . 1 1 37 37 LEU HD21 H 1 0.865 0.01 . 2 . 384 . . 37 LEU HD21 . 25214 1 419 . 1 1 37 37 LEU HD22 H 1 0.865 0.01 . 2 . 384 . . 37 LEU HD22 . 25214 1 420 . 1 1 37 37 LEU HD23 H 1 0.865 0.01 . 2 . 384 . . 37 LEU HD23 . 25214 1 421 . 1 1 37 37 LEU C C 13 179.440 0.10 . 1 . 376 . . 37 LEU C . 25214 1 422 . 1 1 37 37 LEU CA C 13 58.670 0.10 . 1 . 374 . . 37 LEU CA . 25214 1 423 . 1 1 37 37 LEU CB C 13 43.520 0.10 . 1 . 377 . . 37 LEU CB . 25214 1 424 . 1 1 37 37 LEU CD1 C 13 23.580 0.10 . 1 . 381 . . 37 LEU CD1 . 25214 1 425 . 1 1 37 37 LEU CD2 C 13 24.650 0.10 . 1 . 383 . . 37 LEU CD2 . 25214 1 426 . 1 1 37 37 LEU N N 15 122.830 0.10 . 1 . 372 . . 37 LEU N . 25214 1 427 . 1 1 38 38 GLN H H 1 8.556 0.01 . 1 . 386 . . 38 GLN H . 25214 1 428 . 1 1 38 38 GLN HA H 1 3.965 0.01 . 1 . 388 . . 38 GLN HA . 25214 1 429 . 1 1 38 38 GLN HB2 H 1 2.214 0.01 . 2 . 391 . . 38 GLN HB2 . 25214 1 430 . 1 1 38 38 GLN HB3 H 1 2.109 0.01 . 2 . 392 . . 38 GLN HB3 . 25214 1 431 . 1 1 38 38 GLN HG2 H 1 2.435 0.01 . 2 . 393 . . 38 GLN HG2 . 25214 1 432 . 1 1 38 38 GLN HG3 H 1 2.308 0.01 . 2 . 394 . . 38 GLN HG3 . 25214 1 433 . 1 1 38 38 GLN HE21 H 1 6.843 0.01 . 1 . 395 . . 38 GLN HE21 . 25214 1 434 . 1 1 38 38 GLN HE22 H 1 7.082 0.01 . 1 . 396 . . 38 GLN HE22 . 25214 1 435 . 1 1 38 38 GLN C C 13 179.500 0.10 . 1 . 389 . . 38 GLN C . 25214 1 436 . 1 1 38 38 GLN CA C 13 59.730 0.10 . 1 . 387 . . 38 GLN CA . 25214 1 437 . 1 1 38 38 GLN CB C 13 29.010 0.10 . 1 . 390 . . 38 GLN CB . 25214 1 438 . 1 1 38 38 GLN N N 15 118.190 0.10 . 1 . 385 . . 38 GLN N . 25214 1 439 . 1 1 39 39 ARG H H 1 8.185 0.01 . 1 . 398 . . 39 ARG H . 25214 1 440 . 1 1 39 39 ARG HA H 1 4.106 0.01 . 1 . 400 . . 39 ARG HA . 25214 1 441 . 1 1 39 39 ARG HB2 H 1 2.037 0.01 . 2 . 403 . . 39 ARG HB2 . 25214 1 442 . 1 1 39 39 ARG HB3 H 1 1.889 0.01 . 2 . 404 . . 39 ARG HB3 . 25214 1 443 . 1 1 39 39 ARG HG2 H 1 1.882 0.01 . 2 . 405 . . 39 ARG HG2 . 25214 1 444 . 1 1 39 39 ARG HG3 H 1 1.573 0.01 . 2 . 406 . . 39 ARG HG3 . 25214 1 445 . 1 1 39 39 ARG HD2 H 1 3.139 0.01 . 2 . 407 . . 39 ARG HD2 . 25214 1 446 . 1 1 39 39 ARG HD3 H 1 3.284 0.01 . 2 . 408 . . 39 ARG HD3 . 25214 1 447 . 1 1 39 39 ARG HE H 1 7.457 0.01 . 1 . 409 . . 39 ARG HE . 25214 1 448 . 1 1 39 39 ARG C C 13 180.170 0.10 . 1 . 401 . . 39 ARG C . 25214 1 449 . 1 1 39 39 ARG CA C 13 60.530 0.10 . 1 . 399 . . 39 ARG CA . 25214 1 450 . 1 1 39 39 ARG CB C 13 30.820 0.10 . 1 . 402 . . 39 ARG CB . 25214 1 451 . 1 1 39 39 ARG N N 15 118.830 0.10 . 1 . 397 . . 39 ARG N . 25214 1 452 . 1 1 40 40 GLN H H 1 8.097 0.01 . 1 . 411 . . 40 GLN H . 25214 1 453 . 1 1 40 40 GLN HA H 1 4.076 0.01 . 1 . 413 . . 40 GLN HA . 25214 1 454 . 1 1 40 40 GLN HB2 H 1 2.296 0.01 . 2 . 416 . . 40 GLN HB2 . 25214 1 455 . 1 1 40 40 GLN HB3 H 1 2.136 0.01 . 2 . 417 . . 40 GLN HB3 . 25214 1 456 . 1 1 40 40 GLN HG2 H 1 2.592 0.01 . 2 . 418 . . 40 GLN HG2 . 25214 1 457 . 1 1 40 40 GLN HG3 H 1 2.292 0.01 . 2 . 419 . . 40 GLN HG3 . 25214 1 458 . 1 1 40 40 GLN HE21 H 1 6.796 0.01 . 1 . 420 . . 40 GLN HE21 . 25214 1 459 . 1 1 40 40 GLN HE22 H 1 7.050 0.01 . 1 . 421 . . 40 GLN HE22 . 25214 1 460 . 1 1 40 40 GLN C C 13 178.760 0.10 . 1 . 414 . . 40 GLN C . 25214 1 461 . 1 1 40 40 GLN CA C 13 60.130 0.10 . 1 . 412 . . 40 GLN CA . 25214 1 462 . 1 1 40 40 GLN CB C 13 29.810 0.10 . 1 . 415 . . 40 GLN CB . 25214 1 463 . 1 1 40 40 GLN N N 15 120.780 0.10 . 1 . 410 . . 40 GLN N . 25214 1 464 . 1 1 41 41 ILE H H 1 8.491 0.01 . 1 . 423 . . 41 ILE H . 25214 1 465 . 1 1 41 41 ILE HA H 1 3.311 0.01 . 1 . 425 . . 41 ILE HA . 25214 1 466 . 1 1 41 41 ILE HB H 1 1.879 0.01 . 1 . 428 . . 41 ILE HB . 25214 1 467 . 1 1 41 41 ILE HG12 H 1 1.770 0.01 . 1 . 429 . . 41 ILE HG12 . 25214 1 468 . 1 1 41 41 ILE HG13 H 1 1.770 0.01 . 1 . 430 . . 41 ILE HG13 . 25214 1 469 . 1 1 41 41 ILE HG21 H 1 0.825 0.01 . 1 . 432 . . 41 ILE HG21 . 25214 1 470 . 1 1 41 41 ILE HG22 H 1 0.825 0.01 . 1 . 432 . . 41 ILE HG22 . 25214 1 471 . 1 1 41 41 ILE HG23 H 1 0.825 0.01 . 1 . 432 . . 41 ILE HG23 . 25214 1 472 . 1 1 41 41 ILE HD11 H 1 0.683 0.01 . 1 . 434 . . 41 ILE HD11 . 25214 1 473 . 1 1 41 41 ILE HD12 H 1 0.683 0.01 . 1 . 434 . . 41 ILE HD12 . 25214 1 474 . 1 1 41 41 ILE HD13 H 1 0.683 0.01 . 1 . 434 . . 41 ILE HD13 . 25214 1 475 . 1 1 41 41 ILE C C 13 177.540 0.10 . 1 . 426 . . 41 ILE C . 25214 1 476 . 1 1 41 41 ILE CA C 13 66.830 0.10 . 1 . 424 . . 41 ILE CA . 25214 1 477 . 1 1 41 41 ILE CB C 13 38.940 0.10 . 1 . 427 . . 41 ILE CB . 25214 1 478 . 1 1 41 41 ILE CG2 C 13 14.860 0.10 . 1 . 431 . . 41 ILE CG2 . 25214 1 479 . 1 1 41 41 ILE CD1 C 13 12.140 0.10 . 1 . 433 . . 41 ILE CD1 . 25214 1 480 . 1 1 41 41 ILE N N 15 121.010 0.10 . 1 . 422 . . 41 ILE N . 25214 1 481 . 1 1 42 42 ASN H H 1 8.010 0.01 . 1 . 436 . . 42 ASN H . 25214 1 482 . 1 1 42 42 ASN HA H 1 4.381 0.01 . 1 . 438 . . 42 ASN HA . 25214 1 483 . 1 1 42 42 ASN HB2 H 1 2.795 0.01 . 2 . 441 . . 42 ASN HB2 . 25214 1 484 . 1 1 42 42 ASN HB3 H 1 2.857 0.01 . 2 . 442 . . 42 ASN HB3 . 25214 1 485 . 1 1 42 42 ASN HD21 H 1 6.964 0.01 . 1 . 443 . . 42 ASN HD21 . 25214 1 486 . 1 1 42 42 ASN HD22 H 1 7.690 0.01 . 1 . 444 . . 42 ASN HD22 . 25214 1 487 . 1 1 42 42 ASN C C 13 178.290 0.10 . 1 . 439 . . 42 ASN C . 25214 1 488 . 1 1 42 42 ASN CA C 13 56.640 0.10 . 1 . 437 . . 42 ASN CA . 25214 1 489 . 1 1 42 42 ASN CB C 13 38.870 0.10 . 1 . 440 . . 42 ASN CB . 25214 1 490 . 1 1 42 42 ASN N N 15 116.710 0.10 . 1 . 435 . . 42 ASN N . 25214 1 491 . 1 1 43 43 ARG H H 1 7.974 0.01 . 1 . 446 . . 43 ARG H . 25214 1 492 . 1 1 43 43 ARG HA H 1 4.211 0.01 . 1 . 448 . . 43 ARG HA . 25214 1 493 . 1 1 43 43 ARG HB2 H 1 2.114 0.01 . 2 . 451 . . 43 ARG HB2 . 25214 1 494 . 1 1 43 43 ARG HB3 H 1 2.032 0.01 . 2 . 452 . . 43 ARG HB3 . 25214 1 495 . 1 1 43 43 ARG HG2 H 1 1.892 0.01 . 2 . 453 . . 43 ARG HG2 . 25214 1 496 . 1 1 43 43 ARG HG3 H 1 1.841 0.01 . 2 . 454 . . 43 ARG HG3 . 25214 1 497 . 1 1 43 43 ARG HD2 H 1 3.225 0.01 . 1 . 455 . . 43 ARG HD2 . 25214 1 498 . 1 1 43 43 ARG HD3 H 1 3.225 0.01 . 1 . 456 . . 43 ARG HD3 . 25214 1 499 . 1 1 43 43 ARG HE H 1 7.267 0.01 . 1 . 457 . . 43 ARG HE . 25214 1 500 . 1 1 43 43 ARG C C 13 178.860 0.10 . 1 . 449 . . 43 ARG C . 25214 1 501 . 1 1 43 43 ARG CA C 13 60.340 0.10 . 1 . 447 . . 43 ARG CA . 25214 1 502 . 1 1 43 43 ARG CB C 13 30.710 0.10 . 1 . 450 . . 43 ARG CB . 25214 1 503 . 1 1 43 43 ARG N N 15 119.420 0.10 . 1 . 445 . . 43 ARG N . 25214 1 504 . 1 1 44 44 VAL H H 1 8.415 0.01 . 1 . 459 . . 44 VAL H . 25214 1 505 . 1 1 44 44 VAL HA H 1 3.826 0.01 . 1 . 461 . . 44 VAL HA . 25214 1 506 . 1 1 44 44 VAL HB H 1 1.992 0.01 . 1 . 464 . . 44 VAL HB . 25214 1 507 . 1 1 44 44 VAL HG11 H 1 0.690 0.01 . 2 . 466 . . 44 VAL HG11 . 25214 1 508 . 1 1 44 44 VAL HG12 H 1 0.690 0.01 . 2 . 466 . . 44 VAL HG12 . 25214 1 509 . 1 1 44 44 VAL HG13 H 1 0.690 0.01 . 2 . 466 . . 44 VAL HG13 . 25214 1 510 . 1 1 44 44 VAL HG21 H 1 0.876 0.01 . 2 . 468 . . 44 VAL HG21 . 25214 1 511 . 1 1 44 44 VAL HG22 H 1 0.876 0.01 . 2 . 468 . . 44 VAL HG22 . 25214 1 512 . 1 1 44 44 VAL HG23 H 1 0.876 0.01 . 2 . 468 . . 44 VAL HG23 . 25214 1 513 . 1 1 44 44 VAL C C 13 179.690 0.10 . 1 . 462 . . 44 VAL C . 25214 1 514 . 1 1 44 44 VAL CA C 13 66.070 0.10 . 1 . 460 . . 44 VAL CA . 25214 1 515 . 1 1 44 44 VAL CB C 13 31.920 0.10 . 1 . 463 . . 44 VAL CB . 25214 1 516 . 1 1 44 44 VAL CG1 C 13 21.120 0.10 . 1 . 465 . . 44 VAL CG1 . 25214 1 517 . 1 1 44 44 VAL CG2 C 13 22.060 0.10 . 1 . 467 . . 44 VAL CG2 . 25214 1 518 . 1 1 44 44 VAL N N 15 120.980 0.10 . 1 . 458 . . 44 VAL N . 25214 1 519 . 1 1 45 45 GLU H H 1 8.632 0.01 . 1 . 470 . . 45 GLU H . 25214 1 520 . 1 1 45 45 GLU HA H 1 3.773 0.01 . 1 . 472 . . 45 GLU HA . 25214 1 521 . 1 1 45 45 GLU HB2 H 1 1.938 0.01 . 2 . 475 . . 45 GLU HB2 . 25214 1 522 . 1 1 45 45 GLU HB3 H 1 2.144 0.01 . 2 . 476 . . 45 GLU HB3 . 25214 1 523 . 1 1 45 45 GLU HG2 H 1 2.400 0.01 . 1 . 477 . . 45 GLU HG2 . 25214 1 524 . 1 1 45 45 GLU HG3 H 1 2.400 0.01 . 1 . 478 . . 45 GLU HG3 . 25214 1 525 . 1 1 45 45 GLU C C 13 178.800 0.10 . 1 . 473 . . 45 GLU C . 25214 1 526 . 1 1 45 45 GLU CA C 13 60.680 0.10 . 1 . 471 . . 45 GLU CA . 25214 1 527 . 1 1 45 45 GLU CB C 13 30.220 0.10 . 1 . 474 . . 45 GLU CB . 25214 1 528 . 1 1 45 45 GLU N N 15 118.690 0.10 . 1 . 469 . . 45 GLU N . 25214 1 529 . 1 1 46 46 LYS H H 1 7.279 0.01 . 1 . 480 . . 46 LYS H . 25214 1 530 . 1 1 46 46 LYS HA H 1 3.950 0.01 . 1 . 482 . . 46 LYS HA . 25214 1 531 . 1 1 46 46 LYS HB2 H 1 1.377 0.01 . 2 . 485 . . 46 LYS HB2 . 25214 1 532 . 1 1 46 46 LYS HB3 H 1 1.018 0.01 . 2 . 486 . . 46 LYS HB3 . 25214 1 533 . 1 1 46 46 LYS HG2 H 1 0.691 0.01 . 2 . 487 . . 46 LYS HG2 . 25214 1 534 . 1 1 46 46 LYS HG3 H 1 0.673 0.01 . 2 . 488 . . 46 LYS HG3 . 25214 1 535 . 1 1 46 46 LYS HD2 H 1 1.374 0.01 . 1 . 489 . . 46 LYS HD2 . 25214 1 536 . 1 1 46 46 LYS HD3 H 1 1.374 0.01 . 1 . 490 . . 46 LYS HD3 . 25214 1 537 . 1 1 46 46 LYS HE2 H 1 2.760 0.01 . 1 . 491 . . 46 LYS HE2 . 25214 1 538 . 1 1 46 46 LYS HE3 H 1 2.760 0.01 . 1 . 492 . . 46 LYS HE3 . 25214 1 539 . 1 1 46 46 LYS C C 13 178.960 0.10 . 1 . 483 . . 46 LYS C . 25214 1 540 . 1 1 46 46 LYS CA C 13 58.830 0.10 . 1 . 481 . . 46 LYS CA . 25214 1 541 . 1 1 46 46 LYS CB C 13 34.150 0.10 . 1 . 484 . . 46 LYS CB . 25214 1 542 . 1 1 46 46 LYS N N 15 115.130 0.10 . 1 . 479 . . 46 LYS N . 25214 1 543 . 1 1 47 47 PHE H H 1 8.758 0.01 . 1 . 494 . . 47 PHE H . 25214 1 544 . 1 1 47 47 PHE HA H 1 4.783 0.01 . 1 . 496 . . 47 PHE HA . 25214 1 545 . 1 1 47 47 PHE HB2 H 1 3.238 0.01 . 1 . 499 . . 47 PHE HB2 . 25214 1 546 . 1 1 47 47 PHE HB3 H 1 2.915 0.01 . 1 . 500 . . 47 PHE HB3 . 25214 1 547 . 1 1 47 47 PHE HD1 H 1 7.368 0.01 . 1 . 502 . . 47 PHE HD1 . 25214 1 548 . 1 1 47 47 PHE HD2 H 1 7.368 0.01 . 1 . 503 . . 47 PHE HD2 . 25214 1 549 . 1 1 47 47 PHE HE1 H 1 7.329 0.01 . 1 . 504 . . 47 PHE HE1 . 25214 1 550 . 1 1 47 47 PHE HE2 H 1 7.329 0.01 . 1 . 505 . . 47 PHE HE2 . 25214 1 551 . 1 1 47 47 PHE HZ H 1 7.264 0.01 . 1 . 501 . . 47 PHE HZ . 25214 1 552 . 1 1 47 47 PHE C C 13 177.570 0.10 . 1 . 497 . . 47 PHE C . 25214 1 553 . 1 1 47 47 PHE CA C 13 58.530 0.10 . 1 . 495 . . 47 PHE CA . 25214 1 554 . 1 1 47 47 PHE CB C 13 41.230 0.10 . 1 . 498 . . 47 PHE CB . 25214 1 555 . 1 1 47 47 PHE N N 15 115.340 0.10 . 1 . 493 . . 47 PHE N . 25214 1 556 . 1 1 48 48 GLY H H 1 8.591 0.01 . 1 . 507 . . 48 GLY H . 25214 1 557 . 1 1 48 48 GLY HA2 H 1 3.541 0.01 . 2 . 509 . . 48 GLY HA2 . 25214 1 558 . 1 1 48 48 GLY HA3 H 1 4.303 0.01 . 2 . 510 . . 48 GLY HA3 . 25214 1 559 . 1 1 48 48 GLY C C 13 172.410 0.10 . 1 . 511 . . 48 GLY C . 25214 1 560 . 1 1 48 48 GLY CA C 13 45.010 0.10 . 1 . 508 . . 48 GLY CA . 25214 1 561 . 1 1 48 48 GLY N N 15 110.720 0.10 . 1 . 506 . . 48 GLY N . 25214 1 562 . 1 1 49 49 VAL H H 1 7.938 0.01 . 1 . 513 . . 49 VAL H . 25214 1 563 . 1 1 49 49 VAL HA H 1 3.955 0.01 . 1 . 515 . . 49 VAL HA . 25214 1 564 . 1 1 49 49 VAL HB H 1 1.729 0.01 . 1 . 518 . . 49 VAL HB . 25214 1 565 . 1 1 49 49 VAL HG11 H 1 0.562 0.01 . 2 . 520 . . 49 VAL HG11 . 25214 1 566 . 1 1 49 49 VAL HG12 H 1 0.562 0.01 . 2 . 520 . . 49 VAL HG12 . 25214 1 567 . 1 1 49 49 VAL HG13 H 1 0.562 0.01 . 2 . 520 . . 49 VAL HG13 . 25214 1 568 . 1 1 49 49 VAL HG21 H 1 0.681 0.01 . 2 . 522 . . 49 VAL HG21 . 25214 1 569 . 1 1 49 49 VAL HG22 H 1 0.681 0.01 . 2 . 522 . . 49 VAL HG22 . 25214 1 570 . 1 1 49 49 VAL HG23 H 1 0.681 0.01 . 2 . 522 . . 49 VAL HG23 . 25214 1 571 . 1 1 49 49 VAL C C 13 175.440 0.10 . 1 . 516 . . 49 VAL C . 25214 1 572 . 1 1 49 49 VAL CA C 13 62.030 0.10 . 1 . 514 . . 49 VAL CA . 25214 1 573 . 1 1 49 49 VAL CB C 13 34.050 0.10 . 1 . 517 . . 49 VAL CB . 25214 1 574 . 1 1 49 49 VAL CG1 C 13 18.630 0.10 . 1 . 519 . . 49 VAL CG1 . 25214 1 575 . 1 1 49 49 VAL CG2 C 13 21.470 0.10 . 1 . 521 . . 49 VAL CG2 . 25214 1 576 . 1 1 49 49 VAL N N 15 117.900 0.10 . 1 . 512 . . 49 VAL N . 25214 1 577 . 1 1 50 50 ASP H H 1 8.744 0.01 . 1 . 524 . . 50 ASP H . 25214 1 578 . 1 1 50 50 ASP HA H 1 4.637 0.01 . 1 . 526 . . 50 ASP HA . 25214 1 579 . 1 1 50 50 ASP HB2 H 1 2.608 0.01 . 2 . 529 . . 50 ASP HB2 . 25214 1 580 . 1 1 50 50 ASP HB3 H 1 2.714 0.01 . 2 . 530 . . 50 ASP HB3 . 25214 1 581 . 1 1 50 50 ASP C C 13 178.620 0.10 . 1 . 527 . . 50 ASP C . 25214 1 582 . 1 1 50 50 ASP CA C 13 53.240 0.10 . 1 . 525 . . 50 ASP CA . 25214 1 583 . 1 1 50 50 ASP CB C 13 41.790 0.10 . 1 . 528 . . 50 ASP CB . 25214 1 584 . 1 1 50 50 ASP N N 15 127.470 0.10 . 1 . 523 . . 50 ASP N . 25214 1 585 . 1 1 51 51 LEU H H 1 9.146 0.01 . 1 . 532 . . 51 LEU H . 25214 1 586 . 1 1 51 51 LEU HA H 1 3.837 0.01 . 1 . 534 . . 51 LEU HA . 25214 1 587 . 1 1 51 51 LEU HB2 H 1 1.506 0.01 . 2 . 537 . . 51 LEU HB2 . 25214 1 588 . 1 1 51 51 LEU HB3 H 1 1.673 0.01 . 2 . 538 . . 51 LEU HB3 . 25214 1 589 . 1 1 51 51 LEU HG H 1 1.719 0.01 . 1 . 539 . . 51 LEU HG . 25214 1 590 . 1 1 51 51 LEU HD11 H 1 0.892 0.01 . 2 . 541 . . 51 LEU HD11 . 25214 1 591 . 1 1 51 51 LEU HD12 H 1 0.892 0.01 . 2 . 541 . . 51 LEU HD12 . 25214 1 592 . 1 1 51 51 LEU HD13 H 1 0.892 0.01 . 2 . 541 . . 51 LEU HD13 . 25214 1 593 . 1 1 51 51 LEU HD21 H 1 0.738 0.01 . 2 . 543 . . 51 LEU HD21 . 25214 1 594 . 1 1 51 51 LEU HD22 H 1 0.738 0.01 . 2 . 543 . . 51 LEU HD22 . 25214 1 595 . 1 1 51 51 LEU HD23 H 1 0.738 0.01 . 2 . 543 . . 51 LEU HD23 . 25214 1 596 . 1 1 51 51 LEU C C 13 177.020 0.10 . 1 . 535 . . 51 LEU C . 25214 1 597 . 1 1 51 51 LEU CA C 13 57.640 0.10 . 1 . 533 . . 51 LEU CA . 25214 1 598 . 1 1 51 51 LEU CB C 13 41.250 0.10 . 1 . 536 . . 51 LEU CB . 25214 1 599 . 1 1 51 51 LEU CD1 C 13 23.200 0.10 . 1 . 540 . . 51 LEU CD1 . 25214 1 600 . 1 1 51 51 LEU CD2 C 13 20.780 0.10 . 1 . 542 . . 51 LEU CD2 . 25214 1 601 . 1 1 51 51 LEU N N 15 129.260 0.10 . 1 . 531 . . 51 LEU N . 25214 1 602 . 1 1 52 52 ASN H H 1 8.527 0.01 . 1 . 545 . . 52 ASN H . 25214 1 603 . 1 1 52 52 ASN HA H 1 4.807 0.01 . 1 . 547 . . 52 ASN HA . 25214 1 604 . 1 1 52 52 ASN HB2 H 1 2.672 0.01 . 2 . 550 . . 52 ASN HB2 . 25214 1 605 . 1 1 52 52 ASN HB3 H 1 2.839 0.01 . 2 . 551 . . 52 ASN HB3 . 25214 1 606 . 1 1 52 52 ASN HD21 H 1 6.866 0.01 . 1 . 552 . . 52 ASN HD21 . 25214 1 607 . 1 1 52 52 ASN HD22 H 1 7.760 0.01 . 1 . 553 . . 52 ASN HD22 . 25214 1 608 . 1 1 52 52 ASN C C 13 175.500 0.10 . 1 . 548 . . 52 ASN C . 25214 1 609 . 1 1 52 52 ASN CA C 13 53.270 0.10 . 1 . 546 . . 52 ASN CA . 25214 1 610 . 1 1 52 52 ASN CB C 13 39.040 0.10 . 1 . 549 . . 52 ASN CB . 25214 1 611 . 1 1 52 52 ASN N N 15 115.650 0.10 . 1 . 544 . . 52 ASN N . 25214 1 612 . 1 1 53 53 SER H H 1 7.582 0.01 . 1 . 555 . . 53 SER H . 25214 1 613 . 1 1 53 53 SER HA H 1 4.496 0.01 . 1 . 557 . . 53 SER HA . 25214 1 614 . 1 1 53 53 SER HB2 H 1 3.937 0.01 . 2 . 560 . . 53 SER HB2 . 25214 1 615 . 1 1 53 53 SER HB3 H 1 4.326 0.01 . 2 . 561 . . 53 SER HB3 . 25214 1 616 . 1 1 53 53 SER C C 13 175.690 0.10 . 1 . 558 . . 53 SER C . 25214 1 617 . 1 1 53 53 SER CA C 13 58.430 0.10 . 1 . 556 . . 53 SER CA . 25214 1 618 . 1 1 53 53 SER CB C 13 67.510 0.10 . 1 . 559 . . 53 SER CB . 25214 1 619 . 1 1 53 53 SER N N 15 114.170 0.10 . 1 . 554 . . 53 SER N . 25214 1 620 . 1 1 54 54 LYS H H 1 8.820 0.01 . 1 . 563 . . 54 LYS H . 25214 1 621 . 1 1 54 54 LYS HA H 1 4.082 0.01 . 1 . 565 . . 54 LYS HA . 25214 1 622 . 1 1 54 54 LYS HB2 H 1 1.817 0.01 . 1 . 568 . . 54 LYS HB2 . 25214 1 623 . 1 1 54 54 LYS HB3 H 1 1.817 0.01 . 1 . 569 . . 54 LYS HB3 . 25214 1 624 . 1 1 54 54 LYS HG2 H 1 1.513 0.01 . 2 . 570 . . 54 LYS HG2 . 25214 1 625 . 1 1 54 54 LYS HG3 H 1 1.466 0.01 . 2 . 571 . . 54 LYS HG3 . 25214 1 626 . 1 1 54 54 LYS HD2 H 1 1.650 0.01 . 1 . 572 . . 54 LYS HD2 . 25214 1 627 . 1 1 54 54 LYS HD3 H 1 1.650 0.01 . 1 . 573 . . 54 LYS HD3 . 25214 1 628 . 1 1 54 54 LYS HE2 H 1 2.924 0.01 . 1 . 574 . . 54 LYS HE2 . 25214 1 629 . 1 1 54 54 LYS HE3 H 1 2.924 0.01 . 1 . 575 . . 54 LYS HE3 . 25214 1 630 . 1 1 54 54 LYS C C 13 179.680 0.10 . 1 . 566 . . 54 LYS C . 25214 1 631 . 1 1 54 54 LYS CA C 13 58.830 0.10 . 1 . 564 . . 54 LYS CA . 25214 1 632 . 1 1 54 54 LYS CB C 13 32.000 0.10 . 1 . 567 . . 54 LYS CB . 25214 1 633 . 1 1 54 54 LYS N N 15 122.730 0.10 . 1 . 562 . . 54 LYS N . 25214 1 634 . 1 1 55 55 LEU H H 1 8.048 0.01 . 1 . 577 . . 55 LEU H . 25214 1 635 . 1 1 55 55 LEU HA H 1 4.134 0.01 . 1 . 579 . . 55 LEU HA . 25214 1 636 . 1 1 55 55 LEU HB2 H 1 1.655 0.01 . 1 . 582 . . 55 LEU HB2 . 25214 1 637 . 1 1 55 55 LEU HB3 H 1 1.568 0.01 . 1 . 583 . . 55 LEU HB3 . 25214 1 638 . 1 1 55 55 LEU HG H 1 1.423 0.01 . 1 . 584 . . 55 LEU HG . 25214 1 639 . 1 1 55 55 LEU HD11 H 1 0.869 0.01 . 2 . 585 . . 55 LEU HD11 . 25214 1 640 . 1 1 55 55 LEU HD12 H 1 0.869 0.01 . 2 . 585 . . 55 LEU HD12 . 25214 1 641 . 1 1 55 55 LEU HD13 H 1 0.869 0.01 . 2 . 585 . . 55 LEU HD13 . 25214 1 642 . 1 1 55 55 LEU HD21 H 1 0.881 0.01 . 2 . 586 . . 55 LEU HD21 . 25214 1 643 . 1 1 55 55 LEU HD22 H 1 0.881 0.01 . 2 . 586 . . 55 LEU HD22 . 25214 1 644 . 1 1 55 55 LEU HD23 H 1 0.881 0.01 . 2 . 586 . . 55 LEU HD23 . 25214 1 645 . 1 1 55 55 LEU C C 13 178.360 0.10 . 1 . 580 . . 55 LEU C . 25214 1 646 . 1 1 55 55 LEU CA C 13 58.160 0.10 . 1 . 578 . . 55 LEU CA . 25214 1 647 . 1 1 55 55 LEU CB C 13 42.180 0.10 . 1 . 581 . . 55 LEU CB . 25214 1 648 . 1 1 55 55 LEU N N 15 120.630 0.10 . 1 . 576 . . 55 LEU N . 25214 1 649 . 1 1 56 56 ALA H H 1 7.390 0.01 . 1 . 588 . . 56 ALA H . 25214 1 650 . 1 1 56 56 ALA HA H 1 3.707 0.01 . 1 . 590 . . 56 ALA HA . 25214 1 651 . 1 1 56 56 ALA HB1 H 1 1.412 0.01 . 1 . 593 . . 56 ALA HB1 . 25214 1 652 . 1 1 56 56 ALA HB2 H 1 1.412 0.01 . 1 . 593 . . 56 ALA HB2 . 25214 1 653 . 1 1 56 56 ALA HB3 H 1 1.412 0.01 . 1 . 593 . . 56 ALA HB3 . 25214 1 654 . 1 1 56 56 ALA C C 13 179.950 0.10 . 1 . 591 . . 56 ALA C . 25214 1 655 . 1 1 56 56 ALA CA C 13 56.070 0.10 . 1 . 589 . . 56 ALA CA . 25214 1 656 . 1 1 56 56 ALA CB C 13 19.160 0.10 . 1 . 592 . . 56 ALA CB . 25214 1 657 . 1 1 56 56 ALA N N 15 118.430 0.10 . 1 . 587 . . 56 ALA N . 25214 1 658 . 1 1 57 57 GLU H H 1 7.307 0.01 . 1 . 595 . . 57 GLU H . 25214 1 659 . 1 1 57 57 GLU HA H 1 4.090 0.01 . 1 . 597 . . 57 GLU HA . 25214 1 660 . 1 1 57 57 GLU HB2 H 1 2.156 0.01 . 1 . 600 . . 57 GLU HB2 . 25214 1 661 . 1 1 57 57 GLU HB3 H 1 2.156 0.01 . 1 . 601 . . 57 GLU HB3 . 25214 1 662 . 1 1 57 57 GLU HG2 H 1 2.123 0.01 . 2 . 602 . . 57 GLU HG2 . 25214 1 663 . 1 1 57 57 GLU HG3 H 1 2.315 0.01 . 2 . 603 . . 57 GLU HG3 . 25214 1 664 . 1 1 57 57 GLU C C 13 181.130 0.10 . 1 . 598 . . 57 GLU C . 25214 1 665 . 1 1 57 57 GLU CA C 13 59.590 0.10 . 1 . 596 . . 57 GLU CA . 25214 1 666 . 1 1 57 57 GLU CB C 13 30.060 0.10 . 1 . 599 . . 57 GLU CB . 25214 1 667 . 1 1 57 57 GLU N N 15 117.610 0.10 . 1 . 594 . . 57 GLU N . 25214 1 668 . 1 1 58 58 GLU H H 1 8.442 0.01 . 1 . 605 . . 58 GLU H . 25214 1 669 . 1 1 58 58 GLU HA H 1 3.962 0.01 . 1 . 607 . . 58 GLU HA . 25214 1 670 . 1 1 58 58 GLU HB2 H 1 2.053 0.01 . 2 . 610 . . 58 GLU HB2 . 25214 1 671 . 1 1 58 58 GLU HB3 H 1 2.152 0.01 . 2 . 611 . . 58 GLU HB3 . 25214 1 672 . 1 1 58 58 GLU HG2 H 1 2.362 0.01 . 1 . 612 . . 58 GLU HG2 . 25214 1 673 . 1 1 58 58 GLU HG3 H 1 2.362 0.01 . 1 . 613 . . 58 GLU HG3 . 25214 1 674 . 1 1 58 58 GLU C C 13 179.470 0.10 . 1 . 608 . . 58 GLU C . 25214 1 675 . 1 1 58 58 GLU CA C 13 59.930 0.10 . 1 . 606 . . 58 GLU CA . 25214 1 676 . 1 1 58 58 GLU CB C 13 30.060 0.10 . 1 . 609 . . 58 GLU CB . 25214 1 677 . 1 1 58 58 GLU N N 15 122.750 0.10 . 1 . 604 . . 58 GLU N . 25214 1 678 . 1 1 59 59 LEU H H 1 7.822 0.01 . 1 . 615 . . 59 LEU H . 25214 1 679 . 1 1 59 59 LEU HA H 1 4.189 0.01 . 1 . 617 . . 59 LEU HA . 25214 1 680 . 1 1 59 59 LEU HB2 H 1 1.530 0.01 . 1 . 620 . . 59 LEU HB2 . 25214 1 681 . 1 1 59 59 LEU HB3 H 1 1.734 0.01 . 1 . 621 . . 59 LEU HB3 . 25214 1 682 . 1 1 59 59 LEU HG H 1 1.827 0.01 . 1 . 622 . . 59 LEU HG . 25214 1 683 . 1 1 59 59 LEU HD11 H 1 0.716 0.01 . 2 . 624 . . 59 LEU HD11 . 25214 1 684 . 1 1 59 59 LEU HD12 H 1 0.716 0.01 . 2 . 624 . . 59 LEU HD12 . 25214 1 685 . 1 1 59 59 LEU HD13 H 1 0.716 0.01 . 2 . 624 . . 59 LEU HD13 . 25214 1 686 . 1 1 59 59 LEU HD21 H 1 0.775 0.01 . 2 . 626 . . 59 LEU HD21 . 25214 1 687 . 1 1 59 59 LEU HD22 H 1 0.775 0.01 . 2 . 626 . . 59 LEU HD22 . 25214 1 688 . 1 1 59 59 LEU HD23 H 1 0.775 0.01 . 2 . 626 . . 59 LEU HD23 . 25214 1 689 . 1 1 59 59 LEU C C 13 177.410 0.10 . 1 . 618 . . 59 LEU C . 25214 1 690 . 1 1 59 59 LEU CA C 13 55.480 0.10 . 1 . 616 . . 59 LEU CA . 25214 1 691 . 1 1 59 59 LEU CB C 13 43.730 0.10 . 1 . 619 . . 59 LEU CB . 25214 1 692 . 1 1 59 59 LEU CD1 C 13 24.500 0.10 . 1 . 623 . . 59 LEU CD1 . 25214 1 693 . 1 1 59 59 LEU CD2 C 13 21.300 0.10 . 1 . 625 . . 59 LEU CD2 . 25214 1 694 . 1 1 59 59 LEU N N 15 115.960 0.10 . 1 . 614 . . 59 LEU N . 25214 1 695 . 1 1 60 60 GLY H H 1 7.839 0.01 . 1 . 628 . . 60 GLY H . 25214 1 696 . 1 1 60 60 GLY HA2 H 1 3.901 0.01 . 2 . 630 . . 60 GLY HA2 . 25214 1 697 . 1 1 60 60 GLY HA3 H 1 4.004 0.01 . 2 . 631 . . 60 GLY HA3 . 25214 1 698 . 1 1 60 60 GLY C C 13 175.900 0.10 . 1 . 632 . . 60 GLY C . 25214 1 699 . 1 1 60 60 GLY CA C 13 46.530 0.10 . 1 . 629 . . 60 GLY CA . 25214 1 700 . 1 1 60 60 GLY N N 15 107.220 0.10 . 1 . 627 . . 60 GLY N . 25214 1 701 . 1 1 61 61 LEU H H 1 7.929 0.01 . 1 . 634 . . 61 LEU H . 25214 1 702 . 1 1 61 61 LEU HA H 1 4.193 0.01 . 1 . 636 . . 61 LEU HA . 25214 1 703 . 1 1 61 61 LEU HB2 H 1 1.539 0.01 . 1 . 639 . . 61 LEU HB2 . 25214 1 704 . 1 1 61 61 LEU HB3 H 1 1.582 0.01 . 1 . 640 . . 61 LEU HB3 . 25214 1 705 . 1 1 61 61 LEU HG H 1 1.534 0.01 . 1 . 641 . . 61 LEU HG . 25214 1 706 . 1 1 61 61 LEU HD11 H 1 0.804 0.01 . 2 . 643 . . 61 LEU HD11 . 25214 1 707 . 1 1 61 61 LEU HD12 H 1 0.804 0.01 . 2 . 643 . . 61 LEU HD12 . 25214 1 708 . 1 1 61 61 LEU HD13 H 1 0.804 0.01 . 2 . 643 . . 61 LEU HD13 . 25214 1 709 . 1 1 61 61 LEU HD21 H 1 0.750 0.01 . 2 . 645 . . 61 LEU HD21 . 25214 1 710 . 1 1 61 61 LEU HD22 H 1 0.750 0.01 . 2 . 645 . . 61 LEU HD22 . 25214 1 711 . 1 1 61 61 LEU HD23 H 1 0.750 0.01 . 2 . 645 . . 61 LEU HD23 . 25214 1 712 . 1 1 61 61 LEU C C 13 176.900 0.10 . 1 . 637 . . 61 LEU C . 25214 1 713 . 1 1 61 61 LEU CA C 13 55.790 0.10 . 1 . 635 . . 61 LEU CA . 25214 1 714 . 1 1 61 61 LEU CB C 13 42.600 0.10 . 1 . 638 . . 61 LEU CB . 25214 1 715 . 1 1 61 61 LEU CD1 C 13 23.630 0.10 . 1 . 642 . . 61 LEU CD1 . 25214 1 716 . 1 1 61 61 LEU CD2 C 13 20.160 0.10 . 1 . 644 . . 61 LEU CD2 . 25214 1 717 . 1 1 61 61 LEU N N 15 117.530 0.10 . 1 . 633 . . 61 LEU N . 25214 1 718 . 1 1 62 62 VAL H H 1 7.442 0.01 . 1 . 647 . . 62 VAL H . 25214 1 719 . 1 1 62 62 VAL HA H 1 4.245 0.01 . 1 . 649 . . 62 VAL HA . 25214 1 720 . 1 1 62 62 VAL HB H 1 1.989 0.01 . 1 . 652 . . 62 VAL HB . 25214 1 721 . 1 1 62 62 VAL HG11 H 1 0.852 0.01 . 2 . 654 . . 62 VAL HG11 . 25214 1 722 . 1 1 62 62 VAL HG12 H 1 0.852 0.01 . 2 . 654 . . 62 VAL HG12 . 25214 1 723 . 1 1 62 62 VAL HG13 H 1 0.852 0.01 . 2 . 654 . . 62 VAL HG13 . 25214 1 724 . 1 1 62 62 VAL HG21 H 1 0.797 0.01 . 2 . 656 . . 62 VAL HG21 . 25214 1 725 . 1 1 62 62 VAL HG22 H 1 0.797 0.01 . 2 . 656 . . 62 VAL HG22 . 25214 1 726 . 1 1 62 62 VAL HG23 H 1 0.797 0.01 . 2 . 656 . . 62 VAL HG23 . 25214 1 727 . 1 1 62 62 VAL C C 13 175.640 0.10 . 1 . 650 . . 62 VAL C . 25214 1 728 . 1 1 62 62 VAL CA C 13 60.990 0.10 . 1 . 648 . . 62 VAL CA . 25214 1 729 . 1 1 62 62 VAL CB C 13 34.650 0.10 . 1 . 651 . . 62 VAL CB . 25214 1 730 . 1 1 62 62 VAL CG1 C 13 19.340 0.10 . 1 . 653 . . 62 VAL CG1 . 25214 1 731 . 1 1 62 62 VAL CG2 C 13 18.110 0.10 . 1 . 655 . . 62 VAL CG2 . 25214 1 732 . 1 1 62 62 VAL N N 15 114.920 0.10 . 1 . 646 . . 62 VAL N . 25214 1 733 . 1 1 63 63 SER H H 1 8.406 0.01 . 1 . 658 . . 63 SER H . 25214 1 734 . 1 1 63 63 SER HA H 1 4.432 0.01 . 1 . 660 . . 63 SER HA . 25214 1 735 . 1 1 63 63 SER HB2 H 1 3.762 0.01 . 1 . 663 . . 63 SER HB2 . 25214 1 736 . 1 1 63 63 SER HB3 H 1 3.762 0.01 . 1 . 664 . . 63 SER HB3 . 25214 1 737 . 1 1 63 63 SER C C 13 174.700 0.10 . 1 . 661 . . 63 SER C . 25214 1 738 . 1 1 63 63 SER CA C 13 58.410 0.10 . 1 . 659 . . 63 SER CA . 25214 1 739 . 1 1 63 63 SER CB C 13 64.400 0.10 . 1 . 662 . . 63 SER CB . 25214 1 740 . 1 1 63 63 SER N N 15 119.160 0.10 . 1 . 657 . . 63 SER N . 25214 1 741 . 1 1 64 64 ARG H H 1 8.465 0.01 . 1 . 666 . . 64 ARG H . 25214 1 742 . 1 1 64 64 ARG HA H 1 4.299 0.01 . 1 . 668 . . 64 ARG HA . 25214 1 743 . 1 1 64 64 ARG HB2 H 1 1.780 0.01 . 2 . 671 . . 64 ARG HB2 . 25214 1 744 . 1 1 64 64 ARG HB3 H 1 1.669 0.01 . 2 . 672 . . 64 ARG HB3 . 25214 1 745 . 1 1 64 64 ARG HG2 H 1 1.561 0.01 . 2 . 673 . . 64 ARG HG2 . 25214 1 746 . 1 1 64 64 ARG HG3 H 1 1.528 0.01 . 2 . 674 . . 64 ARG HG3 . 25214 1 747 . 1 1 64 64 ARG HD2 H 1 3.128 0.01 . 1 . 675 . . 64 ARG HD2 . 25214 1 748 . 1 1 64 64 ARG HD3 H 1 3.128 0.01 . 1 . 676 . . 64 ARG HD3 . 25214 1 749 . 1 1 64 64 ARG HE H 1 7.242 0.01 . 1 . 677 . . 64 ARG HE . 25214 1 750 . 1 1 64 64 ARG C C 13 176.580 0.10 . 1 . 669 . . 64 ARG C . 25214 1 751 . 1 1 64 64 ARG CA C 13 56.350 0.10 . 1 . 667 . . 64 ARG CA . 25214 1 752 . 1 1 64 64 ARG CB C 13 31.380 0.10 . 1 . 670 . . 64 ARG CB . 25214 1 753 . 1 1 64 64 ARG N N 15 123.520 0.10 . 1 . 665 . . 64 ARG N . 25214 1 754 . 1 1 65 65 LYS H H 1 8.386 0.01 . 1 . 679 . . 65 LYS H . 25214 1 755 . 1 1 65 65 LYS HA H 1 4.247 0.01 . 1 . 681 . . 65 LYS HA . 25214 1 756 . 1 1 65 65 LYS HB2 H 1 1.759 0.01 . 2 . 684 . . 65 LYS HB2 . 25214 1 757 . 1 1 65 65 LYS HB3 H 1 1.680 0.01 . 2 . 685 . . 65 LYS HB3 . 25214 1 758 . 1 1 65 65 LYS HG2 H 1 1.378 0.01 . 2 . 686 . . 65 LYS HG2 . 25214 1 759 . 1 1 65 65 LYS HG3 H 1 1.332 0.01 . 2 . 687 . . 65 LYS HG3 . 25214 1 760 . 1 1 65 65 LYS HD2 H 1 1.602 0.01 . 1 . 688 . . 65 LYS HD2 . 25214 1 761 . 1 1 65 65 LYS HD3 H 1 1.602 0.01 . 1 . 689 . . 65 LYS HD3 . 25214 1 762 . 1 1 65 65 LYS HE2 H 1 2.920 0.01 . 1 . 690 . . 65 LYS HE2 . 25214 1 763 . 1 1 65 65 LYS HE3 H 1 2.920 0.01 . 1 . 691 . . 65 LYS HE3 . 25214 1 764 . 1 1 65 65 LYS C C 13 176.610 0.10 . 1 . 682 . . 65 LYS C . 25214 1 765 . 1 1 65 65 LYS CA C 13 56.720 0.10 . 1 . 680 . . 65 LYS CA . 25214 1 766 . 1 1 65 65 LYS CB C 13 33.720 0.10 . 1 . 683 . . 65 LYS CB . 25214 1 767 . 1 1 65 65 LYS N N 15 122.860 0.10 . 1 . 678 . . 65 LYS N . 25214 1 768 . 1 1 66 66 ASN H H 1 8.528 0.01 . 1 . 693 . . 66 ASN H . 25214 1 769 . 1 1 66 66 ASN HA H 1 4.667 0.01 . 1 . 695 . . 66 ASN HA . 25214 1 770 . 1 1 66 66 ASN HB2 H 1 2.672 0.01 . 2 . 698 . . 66 ASN HB2 . 25214 1 771 . 1 1 66 66 ASN HB3 H 1 2.832 0.01 . 2 . 699 . . 66 ASN HB3 . 25214 1 772 . 1 1 66 66 ASN HD21 H 1 6.862 0.01 . 1 . 700 . . 66 ASN HD21 . 25214 1 773 . 1 1 66 66 ASN HD22 H 1 7.591 0.01 . 1 . 701 . . 66 ASN HD22 . 25214 1 774 . 1 1 66 66 ASN C C 13 174.510 0.10 . 1 . 696 . . 66 ASN C . 25214 1 775 . 1 1 66 66 ASN CA C 13 53.850 0.10 . 1 . 694 . . 66 ASN CA . 25214 1 776 . 1 1 66 66 ASN CB C 13 39.410 0.10 . 1 . 697 . . 66 ASN CB . 25214 1 777 . 1 1 66 66 ASN N N 15 120.430 0.10 . 1 . 692 . . 66 ASN N . 25214 1 778 . 1 1 67 67 GLU H H 1 7.875 0.01 . 1 . 703 . . 67 GLU H . 25214 1 779 . 1 1 67 67 GLU HA H 1 4.064 0.01 . 1 . 705 . . 67 GLU HA . 25214 1 780 . 1 1 67 67 GLU HB2 H 1 1.965 0.01 . 2 . 708 . . 67 GLU HB2 . 25214 1 781 . 1 1 67 67 GLU HB3 H 1 2.006 0.01 . 2 . 709 . . 67 GLU HB3 . 25214 1 782 . 1 1 67 67 GLU HG2 H 1 2.108 0.01 . 1 . 710 . . 67 GLU HG2 . 25214 1 783 . 1 1 67 67 GLU HG3 H 1 2.108 0.01 . 1 . 711 . . 67 GLU HG3 . 25214 1 784 . 1 1 67 67 GLU C C 13 181.500 0.10 . 1 . 706 . . 67 GLU C . 25214 1 785 . 1 1 67 67 GLU CA C 13 58.430 0.10 . 1 . 704 . . 67 GLU CA . 25214 1 786 . 1 1 67 67 GLU CB C 13 31.730 0.10 . 1 . 707 . . 67 GLU CB . 25214 1 787 . 1 1 67 67 GLU N N 15 125.700 0.10 . 1 . 702 . . 67 GLU N . 25214 1 stop_ save_