################################### # 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 30600 _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' . . . 30600 1 2 '2D NOESY' . . . 30600 1 3 '3D CBCA(CO)NH' . . . 30600 1 4 '3D C(CO)NH' . . . 30600 1 5 '3D HNCO' . . . 30600 1 6 '3D HN(CO)CA' . . . 30600 1 7 '3D HNCACB' . . . 30600 1 8 '3D HNCA' . . . 30600 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 1 1 GLY HA2 H 1 4.070 0.02 0.585 2 . . . . A 1 GLY HA2 . 30600 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.080 0.02 0.283 2 . . . . A 1 GLY HA3 . 30600 1 3 . 1 . 1 1 1 GLY CA C 13 41.600 0.20 1.000 1 . . . . A 1 GLY CA . 30600 1 4 . 1 . 1 2 2 SER H H 1 8.099 0.02 1.000 1 . . . . A 2 SER H . 30600 1 5 . 1 . 1 2 2 SER HA H 1 4.460 0.02 1.000 1 . . . . A 2 SER HA . 30600 1 6 . 1 . 1 2 2 SER HB2 H 1 3.800 0.02 0.608 2 . . . . A 2 SER HB2 . 30600 1 7 . 1 . 1 2 2 SER HB3 H 1 3.800 0.02 0.842 2 . . . . A 2 SER HB3 . 30600 1 8 . 1 . 1 2 2 SER C C 13 174.706 0.20 1.000 1 . . . . A 2 SER C . 30600 1 9 . 1 . 1 2 2 SER CA C 13 58.300 0.20 1.000 1 . . . . A 2 SER CA . 30600 1 10 . 1 . 1 2 2 SER CB C 13 63.900 0.20 1.000 1 . . . . A 2 SER CB . 30600 1 11 . 1 . 1 2 2 SER N N 15 119.389 0.20 1.000 1 . . . . A 2 SER N . 30600 1 12 . 1 . 1 3 3 VAL H H 1 8.337 0.02 1.000 1 . . . . A 3 VAL H . 30600 1 13 . 1 . 1 3 3 VAL HA H 1 4.060 0.02 1.000 1 . . . . A 3 VAL HA . 30600 1 14 . 1 . 1 3 3 VAL HB H 1 2.020 0.02 1.000 1 . . . . A 3 VAL HB . 30600 1 15 . 1 . 1 3 3 VAL HG11 H 1 0.860 0.02 0.595 2 . . . . A 3 VAL HG11 . 30600 1 16 . 1 . 1 3 3 VAL HG12 H 1 0.860 0.02 0.595 2 . . . . A 3 VAL HG12 . 30600 1 17 . 1 . 1 3 3 VAL HG13 H 1 0.860 0.02 0.595 2 . . . . A 3 VAL HG13 . 30600 1 18 . 1 . 1 3 3 VAL HG21 H 1 0.860 0.02 0.659 2 . . . . A 3 VAL HG21 . 30600 1 19 . 1 . 1 3 3 VAL HG22 H 1 0.860 0.02 0.659 2 . . . . A 3 VAL HG22 . 30600 1 20 . 1 . 1 3 3 VAL HG23 H 1 0.860 0.02 0.659 2 . . . . A 3 VAL HG23 . 30600 1 21 . 1 . 1 3 3 VAL C C 13 176.328 0.20 1.000 1 . . . . A 3 VAL C . 30600 1 22 . 1 . 1 3 3 VAL CA C 13 62.700 0.20 1.000 1 . . . . A 3 VAL CA . 30600 1 23 . 1 . 1 3 3 VAL CB C 13 32.500 0.20 1.000 1 . . . . A 3 VAL CB . 30600 1 24 . 1 . 1 3 3 VAL CG1 C 13 21.100 0.20 0.443 2 . . . . A 3 VAL CG1 . 30600 1 25 . 1 . 1 3 3 VAL CG2 C 13 21.100 0.20 0.469 2 . . . . A 3 VAL CG2 . 30600 1 26 . 1 . 1 3 3 VAL N N 15 121.800 0.20 1.000 1 . . . . A 3 VAL N . 30600 1 27 . 1 . 1 4 4 GLU H H 1 8.520 0.02 1.000 1 . . . . A 4 GLU H . 30600 1 28 . 1 . 1 4 4 GLU HA H 1 4.170 0.02 1.000 1 . . . . A 4 GLU HA . 30600 1 29 . 1 . 1 4 4 GLU HB2 H 1 1.890 0.02 0.476 2 . . . . A 4 GLU HB2 . 30600 1 30 . 1 . 1 4 4 GLU HG3 H 1 2.230 0.02 0.080 2 . . . . A 4 GLU HG3 . 30600 1 31 . 1 . 1 4 4 GLU C C 13 176.472 0.20 1.000 1 . . . . A 4 GLU C . 30600 1 32 . 1 . 1 4 4 GLU CA C 13 56.900 0.20 1.000 1 . . . . A 4 GLU CA . 30600 1 33 . 1 . 1 4 4 GLU CB C 13 30.100 0.20 1.000 1 . . . . A 4 GLU CB . 30600 1 34 . 1 . 1 4 4 GLU CG C 13 36.400 0.20 1.000 1 . . . . A 4 GLU CG . 30600 1 35 . 1 . 1 4 4 GLU N N 15 124.733 0.20 1.000 1 . . . . A 4 GLU N . 30600 1 36 . 1 . 1 5 5 LYS H H 1 8.314 0.02 1.000 1 . . . . A 5 LYS H . 30600 1 37 . 1 . 1 5 5 LYS HA H 1 4.200 0.02 1.000 1 . . . . A 5 LYS HA . 30600 1 38 . 1 . 1 5 5 LYS HB2 H 1 1.730 0.02 0.476 2 . . . . A 5 LYS HB2 . 30600 1 39 . 1 . 1 5 5 LYS HB3 H 1 1.730 0.02 0.448 2 . . . . A 5 LYS HB3 . 30600 1 40 . 1 . 1 5 5 LYS HG2 H 1 1.340 0.02 0.701 2 . . . . A 5 LYS HG2 . 30600 1 41 . 1 . 1 5 5 LYS HG3 H 1 1.380 0.02 0.099 2 . . . . A 5 LYS HG3 . 30600 1 42 . 1 . 1 5 5 LYS HD2 H 1 1.690 0.02 0.058 2 . . . . A 5 LYS HD2 . 30600 1 43 . 1 . 1 5 5 LYS HD3 H 1 1.700 0.02 0.099 2 . . . . A 5 LYS HD3 . 30600 1 44 . 1 . 1 5 5 LYS C C 13 176.508 0.20 1.000 1 . . . . A 5 LYS C . 30600 1 45 . 1 . 1 5 5 LYS CA C 13 56.500 0.20 1.000 1 . . . . A 5 LYS CA . 30600 1 46 . 1 . 1 5 5 LYS CB C 13 32.900 0.20 1.000 1 . . . . A 5 LYS CB . 30600 1 47 . 1 . 1 5 5 LYS CG C 13 24.800 0.20 1.000 1 . . . . A 5 LYS CG . 30600 1 48 . 1 . 1 5 5 LYS CD C 13 29.100 0.20 1.000 1 . . . . A 5 LYS CD . 30600 1 49 . 1 . 1 5 5 LYS N N 15 122.745 0.20 1.000 1 . . . . A 5 LYS N . 30600 1 50 . 1 . 1 6 6 LEU H H 1 8.343 0.02 1.000 1 . . . . A 6 LEU H . 30600 1 51 . 1 . 1 6 6 LEU HA H 1 4.330 0.02 1.000 1 . . . . A 6 LEU HA . 30600 1 52 . 1 . 1 6 6 LEU HB2 H 1 1.630 0.02 0.503 2 . . . . A 6 LEU HB2 . 30600 1 53 . 1 . 1 6 6 LEU HB3 H 1 1.630 0.02 0.458 2 . . . . A 6 LEU HB3 . 30600 1 54 . 1 . 1 6 6 LEU HG H 1 1.530 0.02 0.471 1 . . . . A 6 LEU HG . 30600 1 55 . 1 . 1 6 6 LEU HD11 H 1 0.810 0.02 0.596 2 . . . . A 6 LEU HD11 . 30600 1 56 . 1 . 1 6 6 LEU HD12 H 1 0.810 0.02 0.596 2 . . . . A 6 LEU HD12 . 30600 1 57 . 1 . 1 6 6 LEU HD13 H 1 0.810 0.02 0.596 2 . . . . A 6 LEU HD13 . 30600 1 58 . 1 . 1 6 6 LEU HD21 H 1 0.840 0.02 0.086 2 . . . . A 6 LEU HD21 . 30600 1 59 . 1 . 1 6 6 LEU HD22 H 1 0.840 0.02 0.086 2 . . . . A 6 LEU HD22 . 30600 1 60 . 1 . 1 6 6 LEU HD23 H 1 0.840 0.02 0.086 2 . . . . A 6 LEU HD23 . 30600 1 61 . 1 . 1 6 6 LEU C C 13 178.066 0.20 1.000 1 . . . . A 6 LEU C . 30600 1 62 . 1 . 1 6 6 LEU CA C 13 55.400 0.20 1.000 1 . . . . A 6 LEU CA . 30600 1 63 . 1 . 1 6 6 LEU CB C 13 42.300 0.20 1.000 1 . . . . A 6 LEU CB . 30600 1 64 . 1 . 1 6 6 LEU CG C 13 27.100 0.20 1.000 1 . . . . A 6 LEU CG . 30600 1 65 . 1 . 1 6 6 LEU CD1 C 13 24.800 0.20 1.000 2 . . . . A 6 LEU CD1 . 30600 1 66 . 1 . 1 6 6 LEU CD2 C 13 23.400 0.20 1.000 2 . . . . A 6 LEU CD2 . 30600 1 67 . 1 . 1 6 6 LEU N N 15 123.485 0.20 1.000 1 . . . . A 6 LEU N . 30600 1 68 . 1 . 1 7 7 THR H H 1 8.053 0.02 1.000 1 . . . . A 7 THR H . 30600 1 69 . 1 . 1 7 7 THR HA H 1 4.230 0.02 0.613 1 . . . . A 7 THR HA . 30600 1 70 . 1 . 1 7 7 THR HG21 H 1 1.180 0.02 1.000 1 . . . . A 7 THR HG21 . 30600 1 71 . 1 . 1 7 7 THR HG22 H 1 1.180 0.02 1.000 1 . . . . A 7 THR HG22 . 30600 1 72 . 1 . 1 7 7 THR HG23 H 1 1.180 0.02 1.000 1 . . . . A 7 THR HG23 . 30600 1 73 . 1 . 1 7 7 THR C C 13 174.793 0.20 1.000 1 . . . . A 7 THR C . 30600 1 74 . 1 . 1 7 7 THR CA C 13 62.200 0.20 1.000 1 . . . . A 7 THR CA . 30600 1 75 . 1 . 1 7 7 THR CB C 13 70.000 0.20 1.000 1 . . . . A 7 THR CB . 30600 1 76 . 1 . 1 7 7 THR CG2 C 13 21.800 0.20 1.000 1 . . . . A 7 THR CG2 . 30600 1 77 . 1 . 1 7 7 THR N N 15 114.665 0.20 1.000 1 . . . . A 7 THR N . 30600 1 78 . 1 . 1 8 8 ALA H H 1 8.417 0.02 1.000 1 . . . . A 8 ALA H . 30600 1 79 . 1 . 1 8 8 ALA HA H 1 4.190 0.02 1.000 1 . . . . A 8 ALA HA . 30600 1 80 . 1 . 1 8 8 ALA HB1 H 1 1.360 0.02 1.000 1 . . . . A 8 ALA HB1 . 30600 1 81 . 1 . 1 8 8 ALA HB2 H 1 1.360 0.02 1.000 1 . . . . A 8 ALA HB2 . 30600 1 82 . 1 . 1 8 8 ALA HB3 H 1 1.360 0.02 1.000 1 . . . . A 8 ALA HB3 . 30600 1 83 . 1 . 1 8 8 ALA C C 13 178.705 0.20 1.000 1 . . . . A 8 ALA C . 30600 1 84 . 1 . 1 8 8 ALA CA C 13 53.600 0.20 1.000 1 . . . . A 8 ALA CA . 30600 1 85 . 1 . 1 8 8 ALA CB C 13 18.700 0.20 1.000 1 . . . . A 8 ALA CB . 30600 1 86 . 1 . 1 8 8 ALA N N 15 125.799 0.20 1.000 1 . . . . A 8 ALA N . 30600 1 87 . 1 . 1 9 9 ASP H H 1 8.374 0.02 1.000 1 . . . . A 9 ASP H . 30600 1 88 . 1 . 1 9 9 ASP HA H 1 4.400 0.02 1.000 1 . . . . A 9 ASP HA . 30600 1 89 . 1 . 1 9 9 ASP HB2 H 1 2.580 0.02 0.728 2 . . . . A 9 ASP HB2 . 30600 1 90 . 1 . 1 9 9 ASP HB3 H 1 2.580 0.02 0.767 2 . . . . A 9 ASP HB3 . 30600 1 91 . 1 . 1 9 9 ASP C C 13 177.443 0.20 1.000 1 . . . . A 9 ASP C . 30600 1 92 . 1 . 1 9 9 ASP CA C 13 56.500 0.20 1.000 1 . . . . A 9 ASP CA . 30600 1 93 . 1 . 1 9 9 ASP CB C 13 40.900 0.20 1.000 1 . . . . A 9 ASP CB . 30600 1 94 . 1 . 1 9 9 ASP N N 15 119.136 0.20 1.000 1 . . . . A 9 ASP N . 30600 1 95 . 1 . 1 10 10 ALA H H 1 8.147 0.02 1.000 1 . . . . A 10 ALA H . 30600 1 96 . 1 . 1 10 10 ALA HA H 1 4.100 0.02 1.000 1 . . . . A 10 ALA HA . 30600 1 97 . 1 . 1 10 10 ALA HB1 H 1 1.400 0.02 1.000 1 . . . . A 10 ALA HB1 . 30600 1 98 . 1 . 1 10 10 ALA HB2 H 1 1.400 0.02 1.000 1 . . . . A 10 ALA HB2 . 30600 1 99 . 1 . 1 10 10 ALA HB3 H 1 1.400 0.02 1.000 1 . . . . A 10 ALA HB3 . 30600 1 100 . 1 . 1 10 10 ALA C C 13 179.763 0.20 1.000 1 . . . . A 10 ALA C . 30600 1 101 . 1 . 1 10 10 ALA CA C 13 54.300 0.20 1.000 1 . . . . A 10 ALA CA . 30600 1 102 . 1 . 1 10 10 ALA CB C 13 18.800 0.20 1.000 1 . . . . A 10 ALA CB . 30600 1 103 . 1 . 1 10 10 ALA N N 15 123.800 0.20 1.000 1 . . . . A 10 ALA N . 30600 1 104 . 1 . 1 11 11 GLU H H 1 8.209 0.02 1.000 1 . . . . A 11 GLU H . 30600 1 105 . 1 . 1 11 11 GLU HA H 1 4.140 0.02 0.441 1 . . . . A 11 GLU HA . 30600 1 106 . 1 . 1 11 11 GLU HB2 H 1 1.980 0.02 0.427 2 . . . . A 11 GLU HB2 . 30600 1 107 . 1 . 1 11 11 GLU HB3 H 1 1.980 0.02 0.570 2 . . . . A 11 GLU HB3 . 30600 1 108 . 1 . 1 11 11 GLU HG2 H 1 2.230 0.02 0.077 2 . . . . A 11 GLU HG2 . 30600 1 109 . 1 . 1 11 11 GLU HG3 H 1 2.230 0.02 0.063 2 . . . . A 11 GLU HG3 . 30600 1 110 . 1 . 1 11 11 GLU C C 13 177.939 0.20 1.000 1 . . . . A 11 GLU C . 30600 1 111 . 1 . 1 11 11 GLU CB C 13 29.500 0.20 1.000 1 . . . . A 11 GLU CB . 30600 1 112 . 1 . 1 11 11 GLU CG C 13 36.100 0.20 1.000 1 . . . . A 11 GLU CG . 30600 1 113 . 1 . 1 11 11 GLU N N 15 119.474 0.20 1.000 1 . . . . A 11 GLU N . 30600 1 114 . 1 . 1 12 12 LEU H H 1 7.925 0.02 1.000 1 . . . . A 12 LEU H . 30600 1 115 . 1 . 1 12 12 LEU HA H 1 4.080 0.02 1.000 1 . . . . A 12 LEU HA . 30600 1 116 . 1 . 1 12 12 LEU HB2 H 1 1.710 0.02 0.386 2 . . . . A 12 LEU HB2 . 30600 1 117 . 1 . 1 12 12 LEU HB3 H 1 1.710 0.02 0.559 2 . . . . A 12 LEU HB3 . 30600 1 118 . 1 . 1 12 12 LEU HG H 1 1.550 0.02 0.527 1 . . . . A 12 LEU HG . 30600 1 119 . 1 . 1 12 12 LEU HD11 H 1 0.840 0.02 0.568 2 . . . . A 12 LEU HD11 . 30600 1 120 . 1 . 1 12 12 LEU HD12 H 1 0.840 0.02 0.568 2 . . . . A 12 LEU HD12 . 30600 1 121 . 1 . 1 12 12 LEU HD13 H 1 0.840 0.02 0.568 2 . . . . A 12 LEU HD13 . 30600 1 122 . 1 . 1 12 12 LEU HD21 H 1 0.860 0.02 0.142 2 . . . . A 12 LEU HD21 . 30600 1 123 . 1 . 1 12 12 LEU HD22 H 1 0.860 0.02 0.142 2 . . . . A 12 LEU HD22 . 30600 1 124 . 1 . 1 12 12 LEU HD23 H 1 0.860 0.02 0.142 2 . . . . A 12 LEU HD23 . 30600 1 125 . 1 . 1 12 12 LEU C C 13 179.093 0.20 1.000 1 . . . . A 12 LEU C . 30600 1 126 . 1 . 1 12 12 LEU CA C 13 57.100 0.20 1.000 1 . . . . A 12 LEU CA . 30600 1 127 . 1 . 1 12 12 LEU CB C 13 41.800 0.20 1.000 1 . . . . A 12 LEU CB . 30600 1 128 . 1 . 1 12 12 LEU CG C 13 27.000 0.20 0.407 1 . . . . A 12 LEU CG . 30600 1 129 . 1 . 1 12 12 LEU CD1 C 13 27.000 0.20 0.520 2 . . . . A 12 LEU CD1 . 30600 1 130 . 1 . 1 12 12 LEU CD2 C 13 27.000 0.20 0.417 2 . . . . A 12 LEU CD2 . 30600 1 131 . 1 . 1 12 12 LEU N N 15 120.646 0.20 1.000 1 . . . . A 12 LEU N . 30600 1 132 . 1 . 1 13 13 GLN H H 1 8.043 0.02 1.000 1 . . . . A 13 GLN H . 30600 1 133 . 1 . 1 13 13 GLN HA H 1 4.020 0.02 0.673 1 . . . . A 13 GLN HA . 30600 1 134 . 1 . 1 13 13 GLN HB2 H 1 2.020 0.02 0.599 2 . . . . A 13 GLN HB2 . 30600 1 135 . 1 . 1 13 13 GLN HB3 H 1 2.020 0.02 0.331 2 . . . . A 13 GLN HB3 . 30600 1 136 . 1 . 1 13 13 GLN HG2 H 1 2.340 0.02 0.539 2 . . . . A 13 GLN HG2 . 30600 1 137 . 1 . 1 13 13 GLN HG3 H 1 2.340 0.02 0.268 2 . . . . A 13 GLN HG3 . 30600 1 138 . 1 . 1 13 13 GLN C C 13 177.282 0.20 1.000 1 . . . . A 13 GLN C . 30600 1 139 . 1 . 1 13 13 GLN CA C 13 57.500 0.20 1.000 1 . . . . A 13 GLN CA . 30600 1 140 . 1 . 1 13 13 GLN CB C 13 28.400 0.20 1.000 1 . . . . A 13 GLN CB . 30600 1 141 . 1 . 1 13 13 GLN CG C 13 33.700 0.20 1.000 1 . . . . A 13 GLN CG . 30600 1 142 . 1 . 1 13 13 GLN N N 15 118.443 0.20 1.000 1 . . . . A 13 GLN N . 30600 1 143 . 1 . 1 14 14 ARG H H 1 7.946 0.02 1.000 1 . . . . A 14 ARG H . 30600 1 144 . 1 . 1 14 14 ARG HA H 1 4.080 0.02 0.553 1 . . . . A 14 ARG HA . 30600 1 145 . 1 . 1 14 14 ARG HB2 H 1 1.840 0.02 0.502 2 . . . . A 14 ARG HB2 . 30600 1 146 . 1 . 1 14 14 ARG HB3 H 1 1.840 0.02 0.523 2 . . . . A 14 ARG HB3 . 30600 1 147 . 1 . 1 14 14 ARG C C 13 177.825 0.20 1.000 1 . . . . A 14 ARG C . 30600 1 148 . 1 . 1 14 14 ARG CA C 13 58.300 0.20 1.000 1 . . . . A 14 ARG CA . 30600 1 149 . 1 . 1 14 14 ARG CB C 13 30.100 0.20 1.000 1 . . . . A 14 ARG CB . 30600 1 150 . 1 . 1 14 14 ARG CG C 13 27.400 0.20 1.000 1 . . . . A 14 ARG CG . 30600 1 151 . 1 . 1 14 14 ARG N N 15 120.607 0.20 1.000 1 . . . . A 14 ARG N . 30600 1 152 . 1 . 1 15 15 LEU H H 1 8.037 0.02 1.000 1 . . . . A 15 LEU H . 30600 1 153 . 1 . 1 15 15 LEU HA H 1 4.100 0.02 0.846 1 . . . . A 15 LEU HA . 30600 1 154 . 1 . 1 15 15 LEU HB2 H 1 1.510 0.02 0.481 2 . . . . A 15 LEU HB2 . 30600 1 155 . 1 . 1 15 15 LEU HB3 H 1 1.710 0.02 0.094 2 . . . . A 15 LEU HB3 . 30600 1 156 . 1 . 1 15 15 LEU HG H 1 1.690 0.02 0.376 1 . . . . A 15 LEU HG . 30600 1 157 . 1 . 1 15 15 LEU HD11 H 1 0.820 0.02 0.634 2 . . . . A 15 LEU HD11 . 30600 1 158 . 1 . 1 15 15 LEU HD12 H 1 0.820 0.02 0.634 2 . . . . A 15 LEU HD12 . 30600 1 159 . 1 . 1 15 15 LEU HD13 H 1 0.820 0.02 0.634 2 . . . . A 15 LEU HD13 . 30600 1 160 . 1 . 1 15 15 LEU HD21 H 1 0.850 0.02 0.065 2 . . . . A 15 LEU HD21 . 30600 1 161 . 1 . 1 15 15 LEU HD22 H 1 0.850 0.02 0.065 2 . . . . A 15 LEU HD22 . 30600 1 162 . 1 . 1 15 15 LEU HD23 H 1 0.850 0.02 0.065 2 . . . . A 15 LEU HD23 . 30600 1 163 . 1 . 1 15 15 LEU C C 13 178.568 0.20 1.000 1 . . . . A 15 LEU C . 30600 1 164 . 1 . 1 15 15 LEU CA C 13 56.500 0.20 1.000 1 . . . . A 15 LEU CA . 30600 1 165 . 1 . 1 15 15 LEU CB C 13 42.000 0.20 1.000 1 . . . . A 15 LEU CB . 30600 1 166 . 1 . 1 15 15 LEU CG C 13 26.800 0.20 1.000 1 . . . . A 15 LEU CG . 30600 1 167 . 1 . 1 15 15 LEU CD1 C 13 25.000 0.20 1.000 2 . . . . A 15 LEU CD1 . 30600 1 168 . 1 . 1 15 15 LEU CD2 C 13 23.400 0.20 1.000 2 . . . . A 15 LEU CD2 . 30600 1 169 . 1 . 1 15 15 LEU N N 15 120.522 0.20 1.000 1 . . . . A 15 LEU N . 30600 1 170 . 1 . 1 16 16 LYS H H 1 8.026 0.02 1.000 1 . . . . A 16 LYS H . 30600 1 171 . 1 . 1 16 16 LYS HA H 1 4.070 0.02 1.000 1 . . . . A 16 LYS HA . 30600 1 172 . 1 . 1 16 16 LYS HB2 H 1 1.780 0.02 0.442 2 . . . . A 16 LYS HB2 . 30600 1 173 . 1 . 1 16 16 LYS HB3 H 1 1.780 0.02 0.486 2 . . . . A 16 LYS HB3 . 30600 1 174 . 1 . 1 16 16 LYS HG2 H 1 1.360 0.02 0.857 2 . . . . A 16 LYS HG2 . 30600 1 175 . 1 . 1 16 16 LYS HG3 H 1 1.380 0.02 0.411 2 . . . . A 16 LYS HG3 . 30600 1 176 . 1 . 1 16 16 LYS HD2 H 1 1.780 0.02 0.481 2 . . . . A 16 LYS HD2 . 30600 1 177 . 1 . 1 16 16 LYS HD3 H 1 1.780 0.02 0.443 2 . . . . A 16 LYS HD3 . 30600 1 178 . 1 . 1 16 16 LYS C C 13 177.524 0.20 1.000 1 . . . . A 16 LYS C . 30600 1 179 . 1 . 1 16 16 LYS CA C 13 57.800 0.20 1.000 1 . . . . A 16 LYS CA . 30600 1 180 . 1 . 1 16 16 LYS CB C 13 32.600 0.20 1.000 1 . . . . A 16 LYS CB . 30600 1 181 . 1 . 1 16 16 LYS CG C 13 25.000 0.20 1.000 1 . . . . A 16 LYS CG . 30600 1 182 . 1 . 1 16 16 LYS N N 15 120.082 0.20 1.000 1 . . . . A 16 LYS N . 30600 1 183 . 1 . 1 17 17 ASN H H 1 8.228 0.02 1.000 1 . . . . A 17 ASN H . 30600 1 184 . 1 . 1 17 17 ASN HA H 1 4.570 0.02 1.000 1 . . . . A 17 ASN HA . 30600 1 185 . 1 . 1 17 17 ASN HB2 H 1 2.790 0.02 0.510 2 . . . . A 17 ASN HB2 . 30600 1 186 . 1 . 1 17 17 ASN HB3 H 1 2.790 0.02 0.646 2 . . . . A 17 ASN HB3 . 30600 1 187 . 1 . 1 17 17 ASN CA C 13 54.000 0.20 1.000 1 . . . . A 17 ASN CA . 30600 1 188 . 1 . 1 17 17 ASN CB C 13 38.700 0.20 1.000 1 . . . . A 17 ASN CB . 30600 1 189 . 1 . 1 17 17 ASN N N 15 118.679 0.20 1.000 1 . . . . A 17 ASN N . 30600 1 190 . 1 . 1 18 18 GLU H H 1 8.273 0.02 1.000 1 . . . . A 18 GLU H . 30600 1 191 . 1 . 1 18 18 GLU HA H 1 4.140 0.02 1.000 1 . . . . A 18 GLU HA . 30600 1 192 . 1 . 1 18 18 GLU HB2 H 1 1.960 0.02 0.450 2 . . . . A 18 GLU HB2 . 30600 1 193 . 1 . 1 18 18 GLU HB3 H 1 1.970 0.02 0.115 2 . . . . A 18 GLU HB3 . 30600 1 194 . 1 . 1 18 18 GLU HG2 H 1 2.280 0.02 0.682 2 . . . . A 18 GLU HG2 . 30600 1 195 . 1 . 1 18 18 GLU HG3 H 1 2.280 0.02 0.300 2 . . . . A 18 GLU HG3 . 30600 1 196 . 1 . 1 18 18 GLU C C 13 176.921 0.20 1.000 1 . . . . A 18 GLU C . 30600 1 197 . 1 . 1 18 18 GLU CA C 13 57.400 0.20 1.000 1 . . . . A 18 GLU CA . 30600 1 198 . 1 . 1 18 18 GLU CB C 13 30.100 0.20 1.000 1 . . . . A 18 GLU CB . 30600 1 199 . 1 . 1 18 18 GLU CG C 13 36.500 0.20 1.000 1 . . . . A 18 GLU CG . 30600 1 200 . 1 . 1 18 18 GLU N N 15 121.021 0.20 1.000 1 . . . . A 18 GLU N . 30600 1 201 . 1 . 1 19 19 ARG H H 1 8.212 0.02 1.000 1 . . . . A 19 ARG H . 30600 1 202 . 1 . 1 19 19 ARG HA H 1 4.220 0.02 1.000 1 . . . . A 19 ARG HA . 30600 1 203 . 1 . 1 19 19 ARG HB2 H 1 1.770 0.02 0.487 2 . . . . A 19 ARG HB2 . 30600 1 204 . 1 . 1 19 19 ARG HB3 H 1 1.770 0.02 0.481 2 . . . . A 19 ARG HB3 . 30600 1 205 . 1 . 1 19 19 ARG HG2 H 1 1.560 0.02 0.474 2 . . . . A 19 ARG HG2 . 30600 1 206 . 1 . 1 19 19 ARG HG3 H 1 1.560 0.02 0.502 2 . . . . A 19 ARG HG3 . 30600 1 207 . 1 . 1 19 19 ARG HD2 H 1 3.160 0.02 0.800 2 . . . . A 19 ARG HD2 . 30600 1 208 . 1 . 1 19 19 ARG HD3 H 1 3.160 0.02 0.273 2 . . . . A 19 ARG HD3 . 30600 1 209 . 1 . 1 19 19 ARG C C 13 176.762 0.20 1.000 1 . . . . A 19 ARG C . 30600 1 210 . 1 . 1 19 19 ARG CA C 13 56.600 0.20 1.000 1 . . . . A 19 ARG CA . 30600 1 211 . 1 . 1 19 19 ARG CB C 13 30.100 0.20 1.000 1 . . . . A 19 ARG CB . 30600 1 212 . 1 . 1 19 19 ARG CG C 13 27.100 0.20 1.000 1 . . . . A 19 ARG CG . 30600 1 213 . 1 . 1 19 19 ARG CD C 13 43.300 0.20 1.000 1 . . . . A 19 ARG CD . 30600 1 214 . 1 . 1 19 19 ARG N N 15 120.555 0.20 1.000 1 . . . . A 19 ARG N . 30600 1 215 . 1 . 1 20 20 HIS H H 1 8.397 0.02 1.000 1 . . . . A 20 HIS H . 30600 1 216 . 1 . 1 20 20 HIS HA H 1 4.540 0.02 1.000 1 . . . . A 20 HIS HA . 30600 1 217 . 1 . 1 20 20 HIS HB2 H 1 3.150 0.02 0.835 2 . . . . A 20 HIS HB2 . 30600 1 218 . 1 . 1 20 20 HIS HB3 H 1 3.150 0.02 0.476 2 . . . . A 20 HIS HB3 . 30600 1 219 . 1 . 1 20 20 HIS C C 13 175.582 0.20 1.000 1 . . . . A 20 HIS C . 30600 1 220 . 1 . 1 20 20 HIS CA C 13 56.700 0.20 1.000 1 . . . . A 20 HIS CA . 30600 1 221 . 1 . 1 20 20 HIS CB C 13 29.500 0.20 1.000 1 . . . . A 20 HIS CB . 30600 1 222 . 1 . 1 20 20 HIS N N 15 120.528 0.20 1.000 1 . . . . A 20 HIS N . 30600 1 223 . 1 . 1 21 21 GLU H H 1 8.614 0.02 1.000 1 . . . . A 21 GLU H . 30600 1 224 . 1 . 1 21 21 GLU HA H 1 4.110 0.02 1.000 1 . . . . A 21 GLU HA . 30600 1 225 . 1 . 1 21 21 GLU HB2 H 1 1.950 0.02 0.488 2 . . . . A 21 GLU HB2 . 30600 1 226 . 1 . 1 21 21 GLU HB3 H 1 1.950 0.02 0.545 2 . . . . A 21 GLU HB3 . 30600 1 227 . 1 . 1 21 21 GLU HG2 H 1 2.240 0.02 0.074 2 . . . . A 21 GLU HG2 . 30600 1 228 . 1 . 1 21 21 GLU HG3 H 1 2.240 0.02 0.219 2 . . . . A 21 GLU HG3 . 30600 1 229 . 1 . 1 21 21 GLU C C 13 177.583 0.20 1.000 1 . . . . A 21 GLU C . 30600 1 230 . 1 . 1 21 21 GLU CA C 13 57.800 0.20 1.000 1 . . . . A 21 GLU CA . 30600 1 231 . 1 . 1 21 21 GLU CB C 13 29.900 0.20 1.000 1 . . . . A 21 GLU CB . 30600 1 232 . 1 . 1 21 21 GLU CG C 13 36.400 0.20 1.000 1 . . . . A 21 GLU CG . 30600 1 233 . 1 . 1 21 21 GLU N N 15 121.597 0.20 1.000 1 . . . . A 21 GLU N . 30600 1 234 . 1 . 1 22 22 GLU H H 1 8.547 0.02 1.000 1 . . . . A 22 GLU H . 30600 1 235 . 1 . 1 22 22 GLU HA H 1 4.070 0.02 1.000 1 . . . . A 22 GLU HA . 30600 1 236 . 1 . 1 22 22 GLU HB2 H 1 1.990 0.02 0.473 2 . . . . A 22 GLU HB2 . 30600 1 237 . 1 . 1 22 22 GLU HB3 H 1 1.990 0.02 0.526 2 . . . . A 22 GLU HB3 . 30600 1 238 . 1 . 1 22 22 GLU HG2 H 1 2.250 0.02 0.478 2 . . . . A 22 GLU HG2 . 30600 1 239 . 1 . 1 22 22 GLU HG3 H 1 2.250 0.02 0.061 2 . . . . A 22 GLU HG3 . 30600 1 240 . 1 . 1 22 22 GLU C C 13 177.603 0.20 1.000 1 . . . . A 22 GLU C . 30600 1 241 . 1 . 1 22 22 GLU CA C 13 58.200 0.20 1.000 1 . . . . A 22 GLU CA . 30600 1 242 . 1 . 1 22 22 GLU CB C 13 29.900 0.20 1.000 1 . . . . A 22 GLU CB . 30600 1 243 . 1 . 1 22 22 GLU CG C 13 36.500 0.20 1.000 1 . . . . A 22 GLU CG . 30600 1 244 . 1 . 1 22 22 GLU N N 15 121.441 0.20 1.000 1 . . . . A 22 GLU N . 30600 1 245 . 1 . 1 23 23 ALA H H 1 8.260 0.02 1.000 1 . . . . A 23 ALA H . 30600 1 246 . 1 . 1 23 23 ALA HA H 1 4.160 0.02 1.000 1 . . . . A 23 ALA HA . 30600 1 247 . 1 . 1 23 23 ALA HB1 H 1 1.380 0.02 0.798 1 . . . . A 23 ALA HB1 . 30600 1 248 . 1 . 1 23 23 ALA HB2 H 1 1.380 0.02 0.798 1 . . . . A 23 ALA HB2 . 30600 1 249 . 1 . 1 23 23 ALA HB3 H 1 1.380 0.02 0.798 1 . . . . A 23 ALA HB3 . 30600 1 250 . 1 . 1 23 23 ALA C C 13 179.599 0.20 1.000 1 . . . . A 23 ALA C . 30600 1 251 . 1 . 1 23 23 ALA CA C 13 53.900 0.20 1.000 1 . . . . A 23 ALA CA . 30600 1 252 . 1 . 1 23 23 ALA CB C 13 18.500 0.20 1.000 1 . . . . A 23 ALA CB . 30600 1 253 . 1 . 1 23 23 ALA N N 15 123.378 0.20 1.000 1 . . . . A 23 ALA N . 30600 1 254 . 1 . 1 24 24 GLU H H 1 8.185 0.02 1.000 1 . . . . A 24 GLU H . 30600 1 255 . 1 . 1 24 24 GLU HA H 1 4.130 0.02 1.000 1 . . . . A 24 GLU HA . 30600 1 256 . 1 . 1 24 24 GLU HB2 H 1 1.980 0.02 0.477 2 . . . . A 24 GLU HB2 . 30600 1 257 . 1 . 1 24 24 GLU HB3 H 1 1.980 0.02 0.522 2 . . . . A 24 GLU HB3 . 30600 1 258 . 1 . 1 24 24 GLU HG2 H 1 2.160 0.02 0.476 2 . . . . A 24 GLU HG2 . 30600 1 259 . 1 . 1 24 24 GLU HG3 H 1 2.160 0.02 0.465 2 . . . . A 24 GLU HG3 . 30600 1 260 . 1 . 1 24 24 GLU CA C 13 58.000 0.20 1.000 1 . . . . A 24 GLU CA . 30600 1 261 . 1 . 1 24 24 GLU CB C 13 29.800 0.20 1.000 1 . . . . A 24 GLU CB . 30600 1 262 . 1 . 1 24 24 GLU CG C 13 36.200 0.20 1.000 1 . . . . A 24 GLU CG . 30600 1 263 . 1 . 1 24 24 GLU N N 15 119.803 0.20 1.000 1 . . . . A 24 GLU N . 30600 1 264 . 1 . 1 25 25 LEU H H 1 7.987 0.02 1.000 1 . . . . A 25 LEU H . 30600 1 265 . 1 . 1 25 25 LEU CA C 13 57.200 0.20 0.433 1 . . . . A 25 LEU CA . 30600 1 266 . 1 . 1 25 25 LEU CB C 13 41.600 0.20 0.717 1 . . . . A 25 LEU CB . 30600 1 267 . 1 . 1 25 25 LEU N N 15 120.649 0.20 1.000 1 . . . . A 25 LEU N . 30600 1 268 . 1 . 1 26 26 GLU HA H 1 4.010 0.02 1.000 1 . . . . A 26 GLU HA . 30600 1 269 . 1 . 1 26 26 GLU HB2 H 1 1.990 0.02 0.448 2 . . . . A 26 GLU HB2 . 30600 1 270 . 1 . 1 26 26 GLU HB3 H 1 1.990 0.02 0.481 2 . . . . A 26 GLU HB3 . 30600 1 271 . 1 . 1 26 26 GLU HG2 H 1 2.240 0.02 0.442 2 . . . . A 26 GLU HG2 . 30600 1 272 . 1 . 1 26 26 GLU HG3 H 1 2.240 0.02 0.488 2 . . . . A 26 GLU HG3 . 30600 1 273 . 1 . 1 26 26 GLU C C 13 178.324 0.20 1.000 1 . . . . A 26 GLU C . 30600 1 274 . 1 . 1 26 26 GLU CA C 13 58.400 0.20 1.000 1 . . . . A 26 GLU CA . 30600 1 275 . 1 . 1 26 26 GLU CB C 13 29.500 0.20 1.000 1 . . . . A 26 GLU CB . 30600 1 276 . 1 . 1 26 26 GLU CG C 13 36.200 0.20 1.000 1 . . . . A 26 GLU CG . 30600 1 277 . 1 . 1 27 27 ARG H H 1 8.031 0.02 1.000 1 . . . . A 27 ARG H . 30600 1 278 . 1 . 1 27 27 ARG HA H 1 4.090 0.02 1.000 1 . . . . A 27 ARG HA . 30600 1 279 . 1 . 1 27 27 ARG HB2 H 1 1.820 0.02 0.408 2 . . . . A 27 ARG HB2 . 30600 1 280 . 1 . 1 27 27 ARG HB3 H 1 1.820 0.02 0.545 2 . . . . A 27 ARG HB3 . 30600 1 281 . 1 . 1 27 27 ARG C C 13 178.036 0.20 1.000 1 . . . . A 27 ARG C . 30600 1 282 . 1 . 1 27 27 ARG CA C 13 58.400 0.20 1.000 1 . . . . A 27 ARG CA . 30600 1 283 . 1 . 1 27 27 ARG CB C 13 30.000 0.20 1.000 1 . . . . A 27 ARG CB . 30600 1 284 . 1 . 1 27 27 ARG CG C 13 27.300 0.20 1.000 1 . . . . A 27 ARG CG . 30600 1 285 . 1 . 1 27 27 ARG CD C 13 43.300 0.20 1.000 1 . . . . A 27 ARG CD . 30600 1 286 . 1 . 1 27 27 ARG N N 15 121.509 0.20 1.000 1 . . . . A 27 ARG N . 30600 1 287 . 1 . 1 28 28 LEU H H 1 8.144 0.02 1.000 1 . . . . A 28 LEU H . 30600 1 288 . 1 . 1 28 28 LEU HA H 1 4.080 0.02 0.330 1 . . . . A 28 LEU HA . 30600 1 289 . 1 . 1 28 28 LEU HB2 H 1 1.720 0.02 0.487 2 . . . . A 28 LEU HB2 . 30600 1 290 . 1 . 1 28 28 LEU HB3 H 1 1.720 0.02 0.495 2 . . . . A 28 LEU HB3 . 30600 1 291 . 1 . 1 28 28 LEU HG H 1 1.720 0.02 0.395 1 . . . . A 28 LEU HG . 30600 1 292 . 1 . 1 28 28 LEU HD11 H 1 0.810 0.02 0.632 2 . . . . A 28 LEU HD11 . 30600 1 293 . 1 . 1 28 28 LEU HD12 H 1 0.810 0.02 0.632 2 . . . . A 28 LEU HD12 . 30600 1 294 . 1 . 1 28 28 LEU HD13 H 1 0.810 0.02 0.632 2 . . . . A 28 LEU HD13 . 30600 1 295 . 1 . 1 28 28 LEU HD21 H 1 0.840 0.02 0.065 2 . . . . A 28 LEU HD21 . 30600 1 296 . 1 . 1 28 28 LEU HD22 H 1 0.840 0.02 0.065 2 . . . . A 28 LEU HD22 . 30600 1 297 . 1 . 1 28 28 LEU HD23 H 1 0.840 0.02 0.065 2 . . . . A 28 LEU HD23 . 30600 1 298 . 1 . 1 28 28 LEU C C 13 179.221 0.20 1.000 1 . . . . A 28 LEU C . 30600 1 299 . 1 . 1 28 28 LEU CA C 13 58.300 0.20 0.617 1 . . . . A 28 LEU CA . 30600 1 300 . 1 . 1 28 28 LEU CB C 13 41.900 0.20 1.000 1 . . . . A 28 LEU CB . 30600 1 301 . 1 . 1 28 28 LEU CG C 13 27.100 0.20 0.409 1 . . . . A 28 LEU CG . 30600 1 302 . 1 . 1 28 28 LEU CD1 C 13 26.900 0.20 0.524 2 . . . . A 28 LEU CD1 . 30600 1 303 . 1 . 1 28 28 LEU CD2 C 13 26.900 0.20 0.428 2 . . . . A 28 LEU CD2 . 30600 1 304 . 1 . 1 28 28 LEU N N 15 120.612 0.20 1.000 1 . . . . A 28 LEU N . 30600 1 305 . 1 . 1 29 29 LYS H H 1 8.063 0.02 1.000 1 . . . . A 29 LYS H . 30600 1 306 . 1 . 1 29 29 LYS HA H 1 4.100 0.02 1.000 1 . . . . A 29 LYS HA . 30600 1 307 . 1 . 1 29 29 LYS HB2 H 1 1.820 0.02 0.491 2 . . . . A 29 LYS HB2 . 30600 1 308 . 1 . 1 29 29 LYS HB3 H 1 1.820 0.02 0.436 2 . . . . A 29 LYS HB3 . 30600 1 309 . 1 . 1 29 29 LYS HG2 H 1 1.490 0.02 0.408 2 . . . . A 29 LYS HG2 . 30600 1 310 . 1 . 1 29 29 LYS HG3 H 1 1.490 0.02 0.479 2 . . . . A 29 LYS HG3 . 30600 1 311 . 1 . 1 29 29 LYS HD2 H 1 1.820 0.02 0.351 2 . . . . A 29 LYS HD2 . 30600 1 312 . 1 . 1 29 29 LYS HD3 H 1 1.820 0.02 0.406 2 . . . . A 29 LYS HD3 . 30600 1 313 . 1 . 1 29 29 LYS C C 13 178.299 0.20 1.000 1 . . . . A 29 LYS C . 30600 1 314 . 1 . 1 29 29 LYS CA C 13 58.300 0.20 1.000 1 . . . . A 29 LYS CA . 30600 1 315 . 1 . 1 29 29 LYS CB C 13 32.600 0.20 1.000 1 . . . . A 29 LYS CB . 30600 1 316 . 1 . 1 29 29 LYS CG C 13 25.100 0.20 1.000 1 . . . . A 29 LYS CG . 30600 1 317 . 1 . 1 29 29 LYS CD C 13 29.500 0.20 1.000 1 . . . . A 29 LYS CD . 30600 1 318 . 1 . 1 29 29 LYS N N 15 120.657 0.20 1.000 1 . . . . A 29 LYS N . 30600 1 319 . 1 . 1 30 30 SER H H 1 8.166 0.02 1.000 1 . . . . A 30 SER H . 30600 1 320 . 1 . 1 30 30 SER HA H 1 4.260 0.02 1.000 1 . . . . A 30 SER HA . 30600 1 321 . 1 . 1 30 30 SER HB2 H 1 3.910 0.02 0.083 2 . . . . A 30 SER HB2 . 30600 1 322 . 1 . 1 30 30 SER HB3 H 1 3.910 0.02 0.423 2 . . . . A 30 SER HB3 . 30600 1 323 . 1 . 1 30 30 SER C C 13 175.828 0.20 1.000 1 . . . . A 30 SER C . 30600 1 324 . 1 . 1 30 30 SER CA C 13 60.000 0.20 1.000 1 . . . . A 30 SER CA . 30600 1 325 . 1 . 1 30 30 SER CB C 13 63.500 0.20 1.000 1 . . . . A 30 SER CB . 30600 1 326 . 1 . 1 30 30 SER N N 15 116.423 0.20 1.000 1 . . . . A 30 SER N . 30600 1 327 . 1 . 1 31 31 GLU H H 1 8.354 0.02 1.000 1 . . . . A 31 GLU H . 30600 1 328 . 1 . 1 31 31 GLU HA H 1 4.140 0.02 1.000 1 . . . . A 31 GLU HA . 30600 1 329 . 1 . 1 31 31 GLU HB2 H 1 1.970 0.02 0.272 2 . . . . A 31 GLU HB2 . 30600 1 330 . 1 . 1 31 31 GLU HB3 H 1 1.970 0.02 0.639 2 . . . . A 31 GLU HB3 . 30600 1 331 . 1 . 1 31 31 GLU HG2 H 1 2.180 0.02 0.384 2 . . . . A 31 GLU HG2 . 30600 1 332 . 1 . 1 31 31 GLU HG3 H 1 2.180 0.02 0.495 2 . . . . A 31 GLU HG3 . 30600 1 333 . 1 . 1 31 31 GLU C C 13 177.662 0.20 1.000 1 . . . . A 31 GLU C . 30600 1 334 . 1 . 1 31 31 GLU CA C 13 57.900 0.20 1.000 1 . . . . A 31 GLU CA . 30600 1 335 . 1 . 1 31 31 GLU CB C 13 29.800 0.20 1.000 1 . . . . A 31 GLU CB . 30600 1 336 . 1 . 1 31 31 GLU CG C 13 36.500 0.20 1.000 1 . . . . A 31 GLU CG . 30600 1 337 . 1 . 1 31 31 GLU N N 15 122.538 0.20 1.000 1 . . . . A 31 GLU N . 30600 1 338 . 1 . 1 32 32 ALA H H 1 8.067 0.02 1.000 1 . . . . A 32 ALA H . 30600 1 339 . 1 . 1 32 32 ALA HA H 1 4.170 0.02 1.000 1 . . . . A 32 ALA HA . 30600 1 340 . 1 . 1 32 32 ALA HB1 H 1 1.390 0.02 1.000 1 . . . . A 32 ALA HB1 . 30600 1 341 . 1 . 1 32 32 ALA HB2 H 1 1.390 0.02 1.000 1 . . . . A 32 ALA HB2 . 30600 1 342 . 1 . 1 32 32 ALA HB3 H 1 1.390 0.02 1.000 1 . . . . A 32 ALA HB3 . 30600 1 343 . 1 . 1 32 32 ALA C C 13 178.529 0.20 1.000 1 . . . . A 32 ALA C . 30600 1 344 . 1 . 1 32 32 ALA CA C 13 53.600 0.20 1.000 1 . . . . A 32 ALA CA . 30600 1 345 . 1 . 1 32 32 ALA CB C 13 18.600 0.20 1.000 1 . . . . A 32 ALA CB . 30600 1 346 . 1 . 1 32 32 ALA N N 15 123.472 0.20 1.000 1 . . . . A 32 ALA N . 30600 1 347 . 1 . 1 33 33 ALA H H 1 8.056 0.02 1.000 1 . . . . A 33 ALA H . 30600 1 348 . 1 . 1 33 33 ALA HA H 1 4.180 0.02 1.000 1 . . . . A 33 ALA HA . 30600 1 349 . 1 . 1 33 33 ALA HB1 H 1 1.390 0.02 0.837 1 . . . . A 33 ALA HB1 . 30600 1 350 . 1 . 1 33 33 ALA HB2 H 1 1.390 0.02 0.837 1 . . . . A 33 ALA HB2 . 30600 1 351 . 1 . 1 33 33 ALA HB3 H 1 1.390 0.02 0.837 1 . . . . A 33 ALA HB3 . 30600 1 352 . 1 . 1 33 33 ALA C C 13 178.883 0.20 1.000 1 . . . . A 33 ALA C . 30600 1 353 . 1 . 1 33 33 ALA CA C 13 53.600 0.20 1.000 1 . . . . A 33 ALA CA . 30600 1 354 . 1 . 1 33 33 ALA CB C 13 18.700 0.20 1.000 1 . . . . A 33 ALA CB . 30600 1 355 . 1 . 1 33 33 ALA N N 15 121.892 0.20 1.000 1 . . . . A 33 ALA N . 30600 1 356 . 1 . 1 34 34 ASP H H 1 8.143 0.02 1.000 1 . . . . A 34 ASP H . 30600 1 357 . 1 . 1 34 34 ASP HA H 1 4.470 0.02 1.000 1 . . . . A 34 ASP HA . 30600 1 358 . 1 . 1 34 34 ASP HB2 H 1 2.630 0.02 0.846 2 . . . . A 34 ASP HB2 . 30600 1 359 . 1 . 1 34 34 ASP HB3 H 1 2.630 0.02 0.305 2 . . . . A 34 ASP HB3 . 30600 1 360 . 1 . 1 34 34 ASP C C 13 177.190 0.20 1.000 1 . . . . A 34 ASP C . 30600 1 361 . 1 . 1 34 34 ASP CA C 13 54.300 0.20 0.845 1 . . . . A 34 ASP CA . 30600 1 362 . 1 . 1 34 34 ASP CB C 13 41.000 0.20 1.000 1 . . . . A 34 ASP CB . 30600 1 363 . 1 . 1 34 34 ASP N N 15 118.926 0.20 1.000 1 . . . . A 34 ASP N . 30600 1 364 . 1 . 1 35 35 HIS H H 1 8.215 0.02 1.000 1 . . . . A 35 HIS H . 30600 1 365 . 1 . 1 35 35 HIS HA H 1 4.350 0.02 1.000 1 . . . . A 35 HIS HA . 30600 1 366 . 1 . 1 35 35 HIS HB2 H 1 3.220 0.02 0.583 2 . . . . A 35 HIS HB2 . 30600 1 367 . 1 . 1 35 35 HIS HB3 H 1 3.220 0.02 0.805 2 . . . . A 35 HIS HB3 . 30600 1 368 . 1 . 1 35 35 HIS C C 13 176.073 0.20 1.000 1 . . . . A 35 HIS C . 30600 1 369 . 1 . 1 35 35 HIS CA C 13 57.900 0.20 1.000 1 . . . . A 35 HIS CA . 30600 1 370 . 1 . 1 35 35 HIS CB C 13 29.200 0.20 1.000 1 . . . . A 35 HIS CB . 30600 1 371 . 1 . 1 35 35 HIS N N 15 119.072 0.20 1.000 1 . . . . A 35 HIS N . 30600 1 372 . 1 . 1 36 36 ASP H H 1 8.430 0.02 1.000 1 . . . . A 36 ASP H . 30600 1 373 . 1 . 1 36 36 ASP HA H 1 4.390 0.02 1.000 1 . . . . A 36 ASP HA . 30600 1 374 . 1 . 1 36 36 ASP HB2 H 1 2.660 0.02 0.057 2 . . . . A 36 ASP HB2 . 30600 1 375 . 1 . 1 36 36 ASP HB3 H 1 2.660 0.02 0.403 2 . . . . A 36 ASP HB3 . 30600 1 376 . 1 . 1 36 36 ASP C C 13 177.653 0.20 1.000 1 . . . . A 36 ASP C . 30600 1 377 . 1 . 1 36 36 ASP CA C 13 55.900 0.20 1.000 1 . . . . A 36 ASP CA . 30600 1 378 . 1 . 1 36 36 ASP CB C 13 40.500 0.20 1.000 1 . . . . A 36 ASP CB . 30600 1 379 . 1 . 1 36 36 ASP N N 15 120.315 0.20 1.000 1 . . . . A 36 ASP N . 30600 1 380 . 1 . 1 37 37 LYS H H 1 8.115 0.02 1.000 1 . . . . A 37 LYS H . 30600 1 381 . 1 . 1 37 37 LYS HA H 1 4.110 0.02 0.879 1 . . . . A 37 LYS HA . 30600 1 382 . 1 . 1 37 37 LYS HB2 H 1 1.840 0.02 0.246 2 . . . . A 37 LYS HB2 . 30600 1 383 . 1 . 1 37 37 LYS HB3 H 1 1.840 0.02 0.144 2 . . . . A 37 LYS HB3 . 30600 1 384 . 1 . 1 37 37 LYS HG2 H 1 1.380 0.02 0.501 2 . . . . A 37 LYS HG2 . 30600 1 385 . 1 . 1 37 37 LYS HG3 H 1 1.380 0.02 0.465 2 . . . . A 37 LYS HG3 . 30600 1 386 . 1 . 1 37 37 LYS HD2 H 1 1.820 0.02 0.304 2 . . . . A 37 LYS HD2 . 30600 1 387 . 1 . 1 37 37 LYS HD3 H 1 1.820 0.02 0.356 2 . . . . A 37 LYS HD3 . 30600 1 388 . 1 . 1 37 37 LYS C C 13 177.872 0.20 1.000 1 . . . . A 37 LYS C . 30600 1 389 . 1 . 1 37 37 LYS CA C 13 58.100 0.20 1.000 1 . . . . A 37 LYS CA . 30600 1 390 . 1 . 1 37 37 LYS CB C 13 32.500 0.20 1.000 1 . . . . A 37 LYS CB . 30600 1 391 . 1 . 1 37 37 LYS CG C 13 24.900 0.20 1.000 1 . . . . A 37 LYS CG . 30600 1 392 . 1 . 1 37 37 LYS N N 15 122.201 0.20 1.000 1 . . . . A 37 LYS N . 30600 1 393 . 1 . 1 38 38 LYS H H 1 8.181 0.02 1.000 1 . . . . A 38 LYS H . 30600 1 394 . 1 . 1 38 38 LYS HA H 1 4.080 0.02 0.699 1 . . . . A 38 LYS HA . 30600 1 395 . 1 . 1 38 38 LYS HB2 H 1 1.770 0.02 0.477 2 . . . . A 38 LYS HB2 . 30600 1 396 . 1 . 1 38 38 LYS HB3 H 1 1.770 0.02 0.478 2 . . . . A 38 LYS HB3 . 30600 1 397 . 1 . 1 38 38 LYS HG2 H 1 1.420 0.02 0.136 2 . . . . A 38 LYS HG2 . 30600 1 398 . 1 . 1 38 38 LYS HG3 H 1 1.420 0.02 0.057 2 . . . . A 38 LYS HG3 . 30600 1 399 . 1 . 1 38 38 LYS HD2 H 1 1.770 0.02 0.483 2 . . . . A 38 LYS HD2 . 30600 1 400 . 1 . 1 38 38 LYS HD3 H 1 1.770 0.02 0.458 2 . . . . A 38 LYS HD3 . 30600 1 401 . 1 . 1 38 38 LYS HE2 H 1 2.790 0.02 0.715 2 . . . . A 38 LYS HE2 . 30600 1 402 . 1 . 1 38 38 LYS HE3 H 1 2.790 0.02 0.259 2 . . . . A 38 LYS HE3 . 30600 1 403 . 1 . 1 38 38 LYS CA C 13 57.900 0.20 1.000 1 . . . . A 38 LYS CA . 30600 1 404 . 1 . 1 38 38 LYS CB C 13 32.300 0.20 1.000 1 . . . . A 38 LYS CB . 30600 1 405 . 1 . 1 38 38 LYS CG C 13 25.200 0.20 1.000 1 . . . . A 38 LYS CG . 30600 1 406 . 1 . 1 38 38 LYS N N 15 120.768 0.20 1.000 1 . . . . A 38 LYS N . 30600 1 407 . 1 . 1 39 39 GLU H H 1 8.273 0.02 1.000 1 . . . . A 39 GLU H . 30600 1 408 . 1 . 1 39 39 GLU HA H 1 4.080 0.02 1.000 1 . . . . A 39 GLU HA . 30600 1 409 . 1 . 1 39 39 GLU HB2 H 1 1.910 0.02 0.482 2 . . . . A 39 GLU HB2 . 30600 1 410 . 1 . 1 39 39 GLU HB3 H 1 1.910 0.02 0.523 2 . . . . A 39 GLU HB3 . 30600 1 411 . 1 . 1 39 39 GLU HG2 H 1 2.130 0.02 0.478 2 . . . . A 39 GLU HG2 . 30600 1 412 . 1 . 1 39 39 GLU HG3 H 1 2.130 0.02 0.469 2 . . . . A 39 GLU HG3 . 30600 1 413 . 1 . 1 39 39 GLU C C 13 177.671 0.20 1.000 1 . . . . A 39 GLU C . 30600 1 414 . 1 . 1 39 39 GLU CA C 13 57.900 0.20 1.000 1 . . . . A 39 GLU CA . 30600 1 415 . 1 . 1 39 39 GLU CB C 13 29.800 0.20 1.000 1 . . . . A 39 GLU CB . 30600 1 416 . 1 . 1 39 39 GLU CG C 13 36.100 0.20 1.000 1 . . . . A 39 GLU CG . 30600 1 417 . 1 . 1 39 39 GLU N N 15 121.000 0.20 1.000 1 . . . . A 39 GLU N . 30600 1 418 . 1 . 1 40 40 ALA H H 1 8.111 0.02 1.000 1 . . . . A 40 ALA H . 30600 1 419 . 1 . 1 40 40 ALA HA H 1 4.080 0.02 1.000 1 . . . . A 40 ALA HA . 30600 1 420 . 1 . 1 40 40 ALA HB1 H 1 1.380 0.02 0.843 1 . . . . A 40 ALA HB1 . 30600 1 421 . 1 . 1 40 40 ALA HB2 H 1 1.380 0.02 0.843 1 . . . . A 40 ALA HB2 . 30600 1 422 . 1 . 1 40 40 ALA HB3 H 1 1.380 0.02 0.843 1 . . . . A 40 ALA HB3 . 30600 1 423 . 1 . 1 40 40 ALA C C 13 179.745 0.20 1.000 1 . . . . A 40 ALA C . 30600 1 424 . 1 . 1 40 40 ALA CA C 13 54.000 0.20 1.000 1 . . . . A 40 ALA CA . 30600 1 425 . 1 . 1 40 40 ALA CB C 13 18.400 0.20 1.000 1 . . . . A 40 ALA CB . 30600 1 426 . 1 . 1 40 40 ALA N N 15 123.123 0.20 1.000 1 . . . . A 40 ALA N . 30600 1 427 . 1 . 1 41 41 GLU H H 1 8.143 0.02 1.000 1 . . . . A 41 GLU H . 30600 1 428 . 1 . 1 41 41 GLU HA H 1 4.040 0.02 0.779 1 . . . . A 41 GLU HA . 30600 1 429 . 1 . 1 41 41 GLU HB2 H 1 1.980 0.02 0.214 2 . . . . A 41 GLU HB2 . 30600 1 430 . 1 . 1 41 41 GLU HB3 H 1 1.980 0.02 0.404 2 . . . . A 41 GLU HB3 . 30600 1 431 . 1 . 1 41 41 GLU HG2 H 1 2.160 0.02 0.283 2 . . . . A 41 GLU HG2 . 30600 1 432 . 1 . 1 41 41 GLU HG3 H 1 2.160 0.02 0.464 2 . . . . A 41 GLU HG3 . 30600 1 433 . 1 . 1 41 41 GLU C C 13 177.790 0.20 1.000 1 . . . . A 41 GLU C . 30600 1 434 . 1 . 1 41 41 GLU CA C 13 57.800 0.20 1.000 1 . . . . A 41 GLU CA . 30600 1 435 . 1 . 1 41 41 GLU CB C 13 30.000 0.20 1.000 1 . . . . A 41 GLU CB . 30600 1 436 . 1 . 1 41 41 GLU CG C 13 36.600 0.20 1.000 1 . . . . A 41 GLU CG . 30600 1 437 . 1 . 1 41 41 GLU N N 15 119.359 0.20 1.000 1 . . . . A 41 GLU N . 30600 1 438 . 1 . 1 42 42 ARG H H 1 8.059 0.02 1.000 1 . . . . A 42 ARG H . 30600 1 439 . 1 . 1 42 42 ARG HA H 1 4.080 0.02 1.000 1 . . . . A 42 ARG HA . 30600 1 440 . 1 . 1 42 42 ARG HB2 H 1 1.800 0.02 0.471 2 . . . . A 42 ARG HB2 . 30600 1 441 . 1 . 1 42 42 ARG HB3 H 1 1.800 0.02 0.488 2 . . . . A 42 ARG HB3 . 30600 1 442 . 1 . 1 42 42 ARG HG2 H 1 1.540 0.02 0.485 2 . . . . A 42 ARG HG2 . 30600 1 443 . 1 . 1 42 42 ARG HG3 H 1 1.540 0.02 0.500 2 . . . . A 42 ARG HG3 . 30600 1 444 . 1 . 1 42 42 ARG C C 13 177.808 0.20 1.000 1 . . . . A 42 ARG C . 30600 1 445 . 1 . 1 42 42 ARG CA C 13 58.100 0.20 1.000 1 . . . . A 42 ARG CA . 30600 1 446 . 1 . 1 42 42 ARG CB C 13 30.200 0.20 1.000 1 . . . . A 42 ARG CB . 30600 1 447 . 1 . 1 42 42 ARG CG C 13 27.200 0.20 1.000 1 . . . . A 42 ARG CG . 30600 1 448 . 1 . 1 42 42 ARG CD C 13 43.300 0.20 1.000 1 . . . . A 42 ARG CD . 30600 1 449 . 1 . 1 42 42 ARG N N 15 121.211 0.20 1.000 1 . . . . A 42 ARG N . 30600 1 450 . 1 . 1 43 43 LYS H H 1 8.224 0.02 1.000 1 . . . . A 43 LYS H . 30600 1 451 . 1 . 1 43 43 LYS HA H 1 4.060 0.02 1.000 1 . . . . A 43 LYS HA . 30600 1 452 . 1 . 1 43 43 LYS HB2 H 1 1.760 0.02 0.479 2 . . . . A 43 LYS HB2 . 30600 1 453 . 1 . 1 43 43 LYS HB3 H 1 1.760 0.02 0.472 2 . . . . A 43 LYS HB3 . 30600 1 454 . 1 . 1 43 43 LYS HG2 H 1 1.420 0.02 0.189 2 . . . . A 43 LYS HG2 . 30600 1 455 . 1 . 1 43 43 LYS HG3 H 1 1.420 0.02 0.103 2 . . . . A 43 LYS HG3 . 30600 1 456 . 1 . 1 43 43 LYS HD2 H 1 1.760 0.02 0.466 2 . . . . A 43 LYS HD2 . 30600 1 457 . 1 . 1 43 43 LYS HD3 H 1 1.760 0.02 0.490 2 . . . . A 43 LYS HD3 . 30600 1 458 . 1 . 1 43 43 LYS C C 13 177.347 0.20 1.000 1 . . . . A 43 LYS C . 30600 1 459 . 1 . 1 43 43 LYS CA C 13 57.700 0.20 1.000 1 . . . . A 43 LYS CA . 30600 1 460 . 1 . 1 43 43 LYS CB C 13 32.600 0.20 1.000 1 . . . . A 43 LYS CB . 30600 1 461 . 1 . 1 43 43 LYS CG C 13 24.900 0.20 1.000 1 . . . . A 43 LYS CG . 30600 1 462 . 1 . 1 43 43 LYS CD C 13 29.000 0.20 1.000 1 . . . . A 43 LYS CD . 30600 1 463 . 1 . 1 43 43 LYS N N 15 121.192 0.20 1.000 1 . . . . A 43 LYS N . 30600 1 464 . 1 . 1 44 44 ALA H H 1 8.005 0.02 1.000 1 . . . . A 44 ALA H . 30600 1 465 . 1 . 1 44 44 ALA HA H 1 4.160 0.02 1.000 1 . . . . A 44 ALA HA . 30600 1 466 . 1 . 1 44 44 ALA HB1 H 1 1.360 0.02 1.000 1 . . . . A 44 ALA HB1 . 30600 1 467 . 1 . 1 44 44 ALA HB2 H 1 1.360 0.02 1.000 1 . . . . A 44 ALA HB2 . 30600 1 468 . 1 . 1 44 44 ALA HB3 H 1 1.360 0.02 1.000 1 . . . . A 44 ALA HB3 . 30600 1 469 . 1 . 1 44 44 ALA C C 13 178.819 0.20 1.000 1 . . . . A 44 ALA C . 30600 1 470 . 1 . 1 44 44 ALA CA C 13 53.500 0.20 1.000 1 . . . . A 44 ALA CA . 30600 1 471 . 1 . 1 44 44 ALA CB C 13 18.500 0.20 1.000 1 . . . . A 44 ALA CB . 30600 1 472 . 1 . 1 44 44 ALA N N 15 122.591 0.20 1.000 1 . . . . A 44 ALA N . 30600 1 473 . 1 . 1 45 45 LEU H H 1 7.859 0.02 1.000 1 . . . . A 45 LEU H . 30600 1 474 . 1 . 1 45 45 LEU HA H 1 4.180 0.02 1.000 1 . . . . A 45 LEU HA . 30600 1 475 . 1 . 1 45 45 LEU HB2 H 1 1.670 0.02 0.407 2 . . . . A 45 LEU HB2 . 30600 1 476 . 1 . 1 45 45 LEU HB3 H 1 1.670 0.02 0.542 2 . . . . A 45 LEU HB3 . 30600 1 477 . 1 . 1 45 45 LEU HG H 1 1.570 0.02 0.493 1 . . . . A 45 LEU HG . 30600 1 478 . 1 . 1 45 45 LEU HD11 H 1 0.820 0.02 0.607 2 . . . . A 45 LEU HD11 . 30600 1 479 . 1 . 1 45 45 LEU HD12 H 1 0.820 0.02 0.607 2 . . . . A 45 LEU HD12 . 30600 1 480 . 1 . 1 45 45 LEU HD13 H 1 0.820 0.02 0.607 2 . . . . A 45 LEU HD13 . 30600 1 481 . 1 . 1 45 45 LEU HD21 H 1 0.850 0.02 0.084 2 . . . . A 45 LEU HD21 . 30600 1 482 . 1 . 1 45 45 LEU HD22 H 1 0.850 0.02 0.084 2 . . . . A 45 LEU HD22 . 30600 1 483 . 1 . 1 45 45 LEU HD23 H 1 0.850 0.02 0.084 2 . . . . A 45 LEU HD23 . 30600 1 484 . 1 . 1 45 45 LEU C C 13 178.216 0.20 1.000 1 . . . . A 45 LEU C . 30600 1 485 . 1 . 1 45 45 LEU CA C 13 56.000 0.20 1.000 1 . . . . A 45 LEU CA . 30600 1 486 . 1 . 1 45 45 LEU CB C 13 42.300 0.20 1.000 1 . . . . A 45 LEU CB . 30600 1 487 . 1 . 1 45 45 LEU CG C 13 27.000 0.20 1.000 1 . . . . A 45 LEU CG . 30600 1 488 . 1 . 1 45 45 LEU CD1 C 13 24.800 0.20 0.891 2 . . . . A 45 LEU CD1 . 30600 1 489 . 1 . 1 45 45 LEU CD2 C 13 24.800 0.20 0.077 2 . . . . A 45 LEU CD2 . 30600 1 490 . 1 . 1 45 45 LEU N N 15 119.609 0.20 1.000 1 . . . . A 45 LEU N . 30600 1 491 . 1 . 1 46 46 GLU H H 1 8.131 0.02 1.000 1 . . . . A 46 GLU H . 30600 1 492 . 1 . 1 46 46 GLU HA H 1 4.100 0.02 1.000 1 . . . . A 46 GLU HA . 30600 1 493 . 1 . 1 46 46 GLU HB2 H 1 1.970 0.02 0.410 2 . . . . A 46 GLU HB2 . 30600 1 494 . 1 . 1 46 46 GLU HB3 H 1 1.970 0.02 0.593 2 . . . . A 46 GLU HB3 . 30600 1 495 . 1 . 1 46 46 GLU HG2 H 1 2.220 0.02 0.430 2 . . . . A 46 GLU HG2 . 30600 1 496 . 1 . 1 46 46 GLU HG3 H 1 2.240 0.02 0.217 2 . . . . A 46 GLU HG3 . 30600 1 497 . 1 . 1 46 46 GLU C C 13 177.045 0.20 1.000 1 . . . . A 46 GLU C . 30600 1 498 . 1 . 1 46 46 GLU CA C 13 57.400 0.20 1.000 1 . . . . A 46 GLU CA . 30600 1 499 . 1 . 1 46 46 GLU CB C 13 30.100 0.20 1.000 1 . . . . A 46 GLU CB . 30600 1 500 . 1 . 1 46 46 GLU CG C 13 36.500 0.20 0.846 1 . . . . A 46 GLU CG . 30600 1 501 . 1 . 1 46 46 GLU N N 15 120.151 0.20 1.000 1 . . . . A 46 GLU N . 30600 1 502 . 1 . 1 47 47 ASP H H 1 8.244 0.02 1.000 1 . . . . A 47 ASP H . 30600 1 503 . 1 . 1 47 47 ASP HA H 1 4.490 0.02 1.000 1 . . . . A 47 ASP HA . 30600 1 504 . 1 . 1 47 47 ASP HB2 H 1 2.590 0.02 0.877 2 . . . . A 47 ASP HB2 . 30600 1 505 . 1 . 1 47 47 ASP HB3 H 1 2.590 0.02 0.486 2 . . . . A 47 ASP HB3 . 30600 1 506 . 1 . 1 47 47 ASP C C 13 176.449 0.20 1.000 1 . . . . A 47 ASP C . 30600 1 507 . 1 . 1 47 47 ASP CA C 13 58.000 0.20 1.000 1 . . . . A 47 ASP CA . 30600 1 508 . 1 . 1 47 47 ASP CB C 13 40.900 0.20 1.000 1 . . . . A 47 ASP CB . 30600 1 509 . 1 . 1 47 47 ASP N N 15 120.624 0.20 1.000 1 . . . . A 47 ASP N . 30600 1 510 . 1 . 1 48 48 LYS H H 1 7.993 0.02 1.000 1 . . . . A 48 LYS H . 30600 1 511 . 1 . 1 48 48 LYS HA H 1 4.200 0.02 1.000 1 . . . . A 48 LYS HA . 30600 1 512 . 1 . 1 48 48 LYS HB2 H 1 1.770 0.02 0.469 2 . . . . A 48 LYS HB2 . 30600 1 513 . 1 . 1 48 48 LYS HB3 H 1 1.770 0.02 0.476 2 . . . . A 48 LYS HB3 . 30600 1 514 . 1 . 1 48 48 LYS HG2 H 1 1.390 0.02 0.375 2 . . . . A 48 LYS HG2 . 30600 1 515 . 1 . 1 48 48 LYS HG3 H 1 1.390 0.02 0.067 2 . . . . A 48 LYS HG3 . 30600 1 516 . 1 . 1 48 48 LYS HD2 H 1 1.770 0.02 0.485 2 . . . . A 48 LYS HD2 . 30600 1 517 . 1 . 1 48 48 LYS HD3 H 1 1.770 0.02 0.308 2 . . . . A 48 LYS HD3 . 30600 1 518 . 1 . 1 48 48 LYS C C 13 176.686 0.20 1.000 1 . . . . A 48 LYS C . 30600 1 519 . 1 . 1 48 48 LYS CA C 13 56.400 0.20 1.000 1 . . . . A 48 LYS CA . 30600 1 520 . 1 . 1 48 48 LYS CB C 13 32.700 0.20 1.000 1 . . . . A 48 LYS CB . 30600 1 521 . 1 . 1 48 48 LYS CG C 13 24.500 0.20 1.000 1 . . . . A 48 LYS CG . 30600 1 522 . 1 . 1 48 48 LYS CD C 13 29.100 0.20 1.000 1 . . . . A 48 LYS CD . 30600 1 523 . 1 . 1 48 48 LYS N N 15 120.914 0.20 1.000 1 . . . . A 48 LYS N . 30600 1 524 . 1 . 1 49 49 LEU H H 1 8.167 0.02 1.000 1 . . . . A 49 LEU H . 30600 1 525 . 1 . 1 49 49 LEU HA H 1 4.210 0.02 1.000 1 . . . . A 49 LEU HA . 30600 1 526 . 1 . 1 49 49 LEU HB2 H 1 1.600 0.02 0.531 2 . . . . A 49 LEU HB2 . 30600 1 527 . 1 . 1 49 49 LEU HB3 H 1 1.600 0.02 0.412 2 . . . . A 49 LEU HB3 . 30600 1 528 . 1 . 1 49 49 LEU HG H 1 1.500 0.02 0.470 1 . . . . A 49 LEU HG . 30600 1 529 . 1 . 1 49 49 LEU HD11 H 1 0.810 0.02 0.599 2 . . . . A 49 LEU HD11 . 30600 1 530 . 1 . 1 49 49 LEU HD12 H 1 0.810 0.02 0.599 2 . . . . A 49 LEU HD12 . 30600 1 531 . 1 . 1 49 49 LEU HD13 H 1 0.810 0.02 0.599 2 . . . . A 49 LEU HD13 . 30600 1 532 . 1 . 1 49 49 LEU HD21 H 1 0.840 0.02 0.084 2 . . . . A 49 LEU HD21 . 30600 1 533 . 1 . 1 49 49 LEU HD22 H 1 0.840 0.02 0.084 2 . . . . A 49 LEU HD22 . 30600 1 534 . 1 . 1 49 49 LEU HD23 H 1 0.840 0.02 0.084 2 . . . . A 49 LEU HD23 . 30600 1 535 . 1 . 1 49 49 LEU C C 13 177.133 0.20 1.000 1 . . . . A 49 LEU C . 30600 1 536 . 1 . 1 49 49 LEU CA C 13 55.200 0.20 1.000 1 . . . . A 49 LEU CA . 30600 1 537 . 1 . 1 49 49 LEU CB C 13 42.200 0.20 1.000 1 . . . . A 49 LEU CB . 30600 1 538 . 1 . 1 49 49 LEU CG C 13 26.800 0.20 1.000 1 . . . . A 49 LEU CG . 30600 1 539 . 1 . 1 49 49 LEU CD1 C 13 24.800 0.20 1.000 2 . . . . A 49 LEU CD1 . 30600 1 540 . 1 . 1 49 49 LEU CD2 C 13 23.300 0.20 1.000 2 . . . . A 49 LEU CD2 . 30600 1 541 . 1 . 1 49 49 LEU N N 15 122.743 0.20 1.000 1 . . . . A 49 LEU N . 30600 1 542 . 1 . 1 50 50 ALA H H 1 8.047 0.02 1.000 1 . . . . A 50 ALA H . 30600 1 543 . 1 . 1 50 50 ALA HA H 1 4.190 0.02 1.000 1 . . . . A 50 ALA HA . 30600 1 544 . 1 . 1 50 50 ALA HB1 H 1 1.240 0.02 1.000 1 . . . . A 50 ALA HB1 . 30600 1 545 . 1 . 1 50 50 ALA HB2 H 1 1.240 0.02 1.000 1 . . . . A 50 ALA HB2 . 30600 1 546 . 1 . 1 50 50 ALA HB3 H 1 1.240 0.02 1.000 1 . . . . A 50 ALA HB3 . 30600 1 547 . 1 . 1 50 50 ALA CA C 13 52.200 0.20 1.000 1 . . . . A 50 ALA CA . 30600 1 548 . 1 . 1 50 50 ALA CB C 13 19.200 0.20 1.000 1 . . . . A 50 ALA CB . 30600 1 549 . 1 . 1 50 50 ALA N N 15 123.972 0.20 1.000 1 . . . . A 50 ALA N . 30600 1 550 . 1 . 1 51 51 ASP H H 1 8.099 0.02 1.000 1 . . . . A 51 ASP H . 30600 1 551 . 1 . 1 51 51 ASP HA H 1 4.470 0.02 1.000 1 . . . . A 51 ASP HA . 30600 1 552 . 1 . 1 51 51 ASP HB2 H 1 2.420 0.02 1.000 2 . . . . A 51 ASP HB2 . 30600 1 553 . 1 . 1 51 51 ASP HB3 H 1 2.420 0.02 1.000 2 . . . . A 51 ASP HB3 . 30600 1 554 . 1 . 1 51 51 ASP C C 13 174.788 0.20 1.000 1 . . . . A 51 ASP C . 30600 1 555 . 1 . 1 51 51 ASP CA C 13 54.900 0.20 0.660 1 . . . . A 51 ASP CA . 30600 1 556 . 1 . 1 51 51 ASP CB C 13 41.200 0.20 1.000 1 . . . . A 51 ASP CB . 30600 1 557 . 1 . 1 51 51 ASP N N 15 119.708 0.20 1.000 1 . . . . A 51 ASP N . 30600 1 558 . 1 . 1 52 52 TYR H H 1 7.495 0.02 1.000 1 . . . . A 52 TYR H . 30600 1 559 . 1 . 1 52 52 TYR C C 13 180.300 0.20 1.000 1 . . . . A 52 TYR C . 30600 1 560 . 1 . 1 52 52 TYR CA C 13 59.060 0.20 1.000 1 . . . . A 52 TYR CA . 30600 1 561 . 1 . 1 52 52 TYR N N 15 124.396 0.20 1.000 1 . . . . A 52 TYR N . 30600 1 stop_ save_