################################### # 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 52984 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Arf6 Chemical Shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' . . . 52984 1 2 '2D 1H-15N HSQC' . . . 52984 1 3 '3D HNCO' . . . 52984 1 4 '3D HNCA' . . . 52984 1 5 '3D HN(CO)CA' . . . 52984 1 6 '3D HNCACB' . . . 52984 1 7 '3D HN(CO)CACB' . . . 52984 1 8 '3D 15N-separated NOESY' . . . 52984 1 9 '3D HCCH-TOCSY' . . . 52984 1 10 '3D hC(C)(CO)NH-TOCSY' . . . 52984 1 11 '3D Hc(C)(CO)NH-TOCSY' . . . 52984 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID . 'all 1H' 1 -0.081 . 52984 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 1 $software_1 . . 52984 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLY H H 1 8.442 0.01 . . . . . . . 2 GLY H . 52984 1 2 . 1 . 1 2 2 GLY HA2 H 1 3.919 0 . . . . . . . 2 GLY HA . 52984 1 3 . 1 . 1 2 2 GLY HA3 H 1 3.919 0 . . . . . . . 2 GLY HA . 52984 1 4 . 1 . 1 2 2 GLY CA C 13 46.184 0.052 . . . . . . . 2 GLY CA . 52984 1 5 . 1 . 1 2 2 GLY N N 15 109.276 0.058 . . . . . . . 2 GLY N . 52984 1 6 . 1 . 1 4 4 VAL H H 1 7.81 0.004 . . . . . . . 4 VAL H . 52984 1 7 . 1 . 1 4 4 VAL HA H 1 3.944 0 . . . . . . . 4 VAL HA . 52984 1 8 . 1 . 1 4 4 VAL CA C 13 63.847 0.018 . . . . . . . 4 VAL CA . 52984 1 9 . 1 . 1 4 4 VAL CB C 13 32.305 0 . . . . . . . 4 VAL CB . 52984 1 10 . 1 . 1 4 4 VAL N N 15 119.999 0.019 . . . . . . . 4 VAL N . 52984 1 11 . 1 . 1 5 5 LEU H H 1 8.364 0.006 . . . . . . . 5 LEU H . 52984 1 12 . 1 . 1 5 5 LEU CA C 13 57.937 0.067 . . . . . . . 5 LEU CA . 52984 1 13 . 1 . 1 5 5 LEU CB C 13 41.399 0 . . . . . . . 5 LEU CB . 52984 1 14 . 1 . 1 5 5 LEU N N 15 123.299 0.012 . . . . . . . 5 LEU N . 52984 1 15 . 1 . 1 6 6 SER H H 1 8.223 0.005 . . . . . . . 6 SER H . 52984 1 16 . 1 . 1 6 6 SER HA H 1 4.274 0 . . . . . . . 6 SER HA . 52984 1 17 . 1 . 1 6 6 SER CA C 13 61.277 0.061 . . . . . . . 6 SER CA . 52984 1 18 . 1 . 1 6 6 SER CB C 13 62.391 0 . . . . . . . 6 SER CB . 52984 1 19 . 1 . 1 6 6 SER N N 15 112.752 0.032 . . . . . . . 6 SER N . 52984 1 20 . 1 . 1 7 7 LYS H H 1 7.314 0.003 . . . . . . . 7 LYS H . 52984 1 21 . 1 . 1 7 7 LYS HA H 1 4.2 0 . . . . . . . 7 LYS HA . 52984 1 22 . 1 . 1 7 7 LYS HB2 H 1 1.931 0 . . . . . . . 7 LYS HB1 . 52984 1 23 . 1 . 1 7 7 LYS HB3 H 1 1.995 0 . . . . . . . 7 LYS HB2 . 52984 1 24 . 1 . 1 7 7 LYS CA C 13 58.037 0.007 . . . . . . . 7 LYS CA . 52984 1 25 . 1 . 1 7 7 LYS CB C 13 32.605 0 . . . . . . . 7 LYS CB . 52984 1 26 . 1 . 1 7 7 LYS N N 15 120.606 0.038 . . . . . . . 7 LYS N . 52984 1 27 . 1 . 1 8 8 ILE H H 1 7.613 0.004 . . . . . . . 8 ILE H . 52984 1 28 . 1 . 1 8 8 ILE HA H 1 3.71 0 . . . . . . . 8 ILE HA . 52984 1 29 . 1 . 1 8 8 ILE CA C 13 64.328 0.049 . . . . . . . 8 ILE CA . 52984 1 30 . 1 . 1 8 8 ILE CB C 13 38.942 0 . . . . . . . 8 ILE CB . 52984 1 31 . 1 . 1 8 8 ILE N N 15 117.947 0.034 . . . . . . . 8 ILE N . 52984 1 32 . 1 . 1 9 9 PHE H H 1 7.691 0.008 . . . . . . . 9 PHE H . 52984 1 33 . 1 . 1 9 9 PHE CA C 13 58.627 0.056 . . . . . . . 9 PHE CA . 52984 1 34 . 1 . 1 9 9 PHE CB C 13 39.953 0 . . . . . . . 9 PHE CB . 52984 1 35 . 1 . 1 9 9 PHE N N 15 114.794 0.044 . . . . . . . 9 PHE N . 52984 1 36 . 1 . 1 10 10 GLY H H 1 7.819 0.003 . . . . . . . 10 GLY H . 52984 1 37 . 1 . 1 10 10 GLY CA C 13 47.272 0.036 . . . . . . . 10 GLY CA . 52984 1 38 . 1 . 1 10 10 GLY N N 15 106.309 0.056 . . . . . . . 10 GLY N . 52984 1 39 . 1 . 1 12 12 LYS H H 1 8.124 0.004 . . . . . . . 12 LYS H . 52984 1 40 . 1 . 1 12 12 LYS HA H 1 4.051 0 . . . . . . . 12 LYS HA . 52984 1 41 . 1 . 1 12 12 LYS CA C 13 57.928 0.014 . . . . . . . 12 LYS CA . 52984 1 42 . 1 . 1 12 12 LYS CB C 13 33.58 0 . . . . . . . 12 LYS CB . 52984 1 43 . 1 . 1 12 12 LYS N N 15 122.198 0.026 . . . . . . . 12 LYS N . 52984 1 44 . 1 . 1 13 13 GLU H H 1 8.425 0.002 . . . . . . . 13 GLU H . 52984 1 45 . 1 . 1 13 13 GLU HA H 1 4.68 0 . . . . . . . 13 GLU HA . 52984 1 46 . 1 . 1 13 13 GLU CA C 13 54.941 0.015 . . . . . . . 13 GLU CA . 52984 1 47 . 1 . 1 13 13 GLU CB C 13 30.09 0 . . . . . . . 13 GLU CB . 52984 1 48 . 1 . 1 13 13 GLU N N 15 123.827 0.034 . . . . . . . 13 GLU N . 52984 1 49 . 1 . 1 14 14 MET H H 1 7.85 0.004 . . . . . . . 14 MET H . 52984 1 50 . 1 . 1 14 14 MET CA C 13 55.323 0.015 . . . . . . . 14 MET CA . 52984 1 51 . 1 . 1 14 14 MET CB C 13 38.92 0 . . . . . . . 14 MET CB . 52984 1 52 . 1 . 1 14 14 MET N N 15 122.746 0.031 . . . . . . . 14 MET N . 52984 1 53 . 1 . 1 18 18 MET H H 1 8.837 0.003 . . . . . . . 18 MET H . 52984 1 54 . 1 . 1 18 18 MET HA H 1 5.898 0 . . . . . . . 18 MET HA . 52984 1 55 . 1 . 1 18 18 MET CA C 13 54.281 0.04 . . . . . . . 18 MET CA . 52984 1 56 . 1 . 1 18 18 MET CB C 13 36.445 0 . . . . . . . 18 MET CB . 52984 1 57 . 1 . 1 18 18 MET N N 15 124.821 0.035 . . . . . . . 18 MET N . 52984 1 58 . 1 . 1 19 19 LEU H H 1 8.671 0.006 . . . . . . . 19 LEU H . 52984 1 59 . 1 . 1 19 19 LEU HA H 1 5.171 0 . . . . . . . 19 LEU HA . 52984 1 60 . 1 . 1 19 19 LEU CA C 13 52.035 0.031 . . . . . . . 19 LEU CA . 52984 1 61 . 1 . 1 19 19 LEU CB C 13 46.655 0 . . . . . . . 19 LEU CB . 52984 1 62 . 1 . 1 19 19 LEU N N 15 122.023 0.048 . . . . . . . 19 LEU N . 52984 1 63 . 1 . 1 20 20 GLY H H 1 6.332 0.004 . . . . . . . 20 GLY H . 52984 1 64 . 1 . 1 20 20 GLY CA C 13 43.818 0.053 . . . . . . . 20 GLY CA . 52984 1 65 . 1 . 1 20 20 GLY N N 15 102.394 0.039 . . . . . . . 20 GLY N . 52984 1 66 . 1 . 1 21 21 LEU H H 1 10.18 0.006 . . . . . . . 21 LEU H . 52984 1 67 . 1 . 1 21 21 LEU CA C 13 55.819 0.018 . . . . . . . 21 LEU CA . 52984 1 68 . 1 . 1 21 21 LEU CB C 13 41.396 0 . . . . . . . 21 LEU CB . 52984 1 69 . 1 . 1 21 21 LEU N N 15 125.227 0.035 . . . . . . . 21 LEU N . 52984 1 70 . 1 . 1 22 22 ASP H H 1 8.837 0.005 . . . . . . . 22 ASP H . 52984 1 71 . 1 . 1 22 22 ASP CA C 13 56.404 0 . . . . . . . 22 ASP CA . 52984 1 72 . 1 . 1 22 22 ASP CB C 13 40.41 0 . . . . . . . 22 ASP CB . 52984 1 73 . 1 . 1 22 22 ASP N N 15 119.596 0.046 . . . . . . . 22 ASP N . 52984 1 74 . 1 . 1 23 23 ALA H H 1 10.82 0.005 . . . . . . . 23 ALA H . 52984 1 75 . 1 . 1 23 23 ALA CA C 13 53.645 0.057 . . . . . . . 23 ALA CA . 52984 1 76 . 1 . 1 23 23 ALA CB C 13 16.644 0 . . . . . . . 23 ALA CB . 52984 1 77 . 1 . 1 23 23 ALA N N 15 123.061 0.05 . . . . . . . 23 ALA N . 52984 1 78 . 1 . 1 24 24 ALA H H 1 7.505 0.003 . . . . . . . 24 ALA H . 52984 1 79 . 1 . 1 24 24 ALA CA C 13 55.626 0.018 . . . . . . . 24 ALA CA . 52984 1 80 . 1 . 1 24 24 ALA CB C 13 20.231 0 . . . . . . . 24 ALA CB . 52984 1 81 . 1 . 1 24 24 ALA N N 15 123.15 0.031 . . . . . . . 24 ALA N . 52984 1 82 . 1 . 1 25 25 GLY H H 1 8.598 0.008 . . . . . . . 25 GLY H . 52984 1 83 . 1 . 1 25 25 GLY CA C 13 45.666 0.002 . . . . . . . 25 GLY CA . 52984 1 84 . 1 . 1 25 25 GLY N N 15 101.987 0.054 . . . . . . . 25 GLY N . 52984 1 85 . 1 . 1 26 26 LYS H H 1 9.762 0.006 . . . . . . . 26 LYS H . 52984 1 86 . 1 . 1 26 26 LYS CA C 13 60.138 0.051 . . . . . . . 26 LYS CA . 52984 1 87 . 1 . 1 26 26 LYS N N 15 123.218 0.049 . . . . . . . 26 LYS N . 52984 1 88 . 1 . 1 28 28 THR H H 1 8.901 0.003 . . . . . . . 28 THR H . 52984 1 89 . 1 . 1 28 28 THR CA C 13 67.876 0.067 . . . . . . . 28 THR CA . 52984 1 90 . 1 . 1 28 28 THR N N 15 120.014 0.01 . . . . . . . 28 THR N . 52984 1 91 . 1 . 1 29 29 ILE H H 1 8.059 0.006 . . . . . . . 29 ILE H . 52984 1 92 . 1 . 1 29 29 ILE CA C 13 67.016 0.051 . . . . . . . 29 ILE CA . 52984 1 93 . 1 . 1 29 29 ILE CB C 13 37.487 0 . . . . . . . 29 ILE CB . 52984 1 94 . 1 . 1 29 29 ILE N N 15 122.19 0.045 . . . . . . . 29 ILE N . 52984 1 95 . 1 . 1 30 30 LEU H H 1 8.089 0.003 . . . . . . . 30 LEU H . 52984 1 96 . 1 . 1 30 30 LEU CA C 13 58.362 0.037 . . . . . . . 30 LEU CA . 52984 1 97 . 1 . 1 30 30 LEU CB C 13 41.749 0 . . . . . . . 30 LEU CB . 52984 1 98 . 1 . 1 30 30 LEU N N 15 117.959 0.042 . . . . . . . 30 LEU N . 52984 1 99 . 1 . 1 31 31 TYR H H 1 8.399 0.006 . . . . . . . 31 TYR H . 52984 1 100 . 1 . 1 31 31 TYR HA H 1 4.236 0 . . . . . . . 31 TYR HA . 52984 1 101 . 1 . 1 31 31 TYR CA C 13 60.429 0.11 . . . . . . . 31 TYR CA . 52984 1 102 . 1 . 1 31 31 TYR N N 15 117.75 0.054 . . . . . . . 31 TYR N . 52984 1 103 . 1 . 1 32 32 LYS H H 1 8.328 0.011 . . . . . . . 32 LYS H . 52984 1 104 . 1 . 1 32 32 LYS HA H 1 4.028 0 . . . . . . . 32 LYS HA . 52984 1 105 . 1 . 1 32 32 LYS CA C 13 56.716 0.063 . . . . . . . 32 LYS CA . 52984 1 106 . 1 . 1 32 32 LYS CB C 13 31.63 0 . . . . . . . 32 LYS CB . 52984 1 107 . 1 . 1 32 32 LYS N N 15 122.387 0.061 . . . . . . . 32 LYS N . 52984 1 108 . 1 . 1 33 33 LEU H H 1 7.626 0.003 . . . . . . . 33 LEU H . 52984 1 109 . 1 . 1 33 33 LEU HA H 1 3.95 0 . . . . . . . 33 LEU HA . 52984 1 110 . 1 . 1 33 33 LEU CA C 13 56.198 0.033 . . . . . . . 33 LEU CA . 52984 1 111 . 1 . 1 33 33 LEU CB C 13 42.116 0 . . . . . . . 33 LEU CB . 52984 1 112 . 1 . 1 33 33 LEU N N 15 116.046 0.032 . . . . . . . 33 LEU N . 52984 1 113 . 1 . 1 34 34 LYS H H 1 7.406 0.006 . . . . . . . 34 LYS H . 52984 1 114 . 1 . 1 34 34 LYS HA H 1 3.917 0 . . . . . . . 34 LYS HA . 52984 1 115 . 1 . 1 34 34 LYS CA C 13 56.995 0.036 . . . . . . . 34 LYS CA . 52984 1 116 . 1 . 1 34 34 LYS CB C 13 29.576 0 . . . . . . . 34 LYS CB . 52984 1 117 . 1 . 1 34 34 LYS N N 15 111.837 0.023 . . . . . . . 34 LYS N . 52984 1 118 . 1 . 1 35 35 LEU H H 1 8.373 0.008 . . . . . . . 35 LEU H . 52984 1 119 . 1 . 1 35 35 LEU CA C 13 55.346 0.018 . . . . . . . 35 LEU CA . 52984 1 120 . 1 . 1 35 35 LEU CB C 13 42.529 0 . . . . . . . 35 LEU CB . 52984 1 121 . 1 . 1 35 35 LEU N N 15 118.111 0.045 . . . . . . . 35 LEU N . 52984 1 122 . 1 . 1 36 36 GLY H H 1 7.444 0.003 . . . . . . . 36 GLY H . 52984 1 123 . 1 . 1 36 36 GLY CA C 13 44.698 0 . . . . . . . 36 GLY CA . 52984 1 124 . 1 . 1 36 36 GLY N N 15 103.972 0.036 . . . . . . . 36 GLY N . 52984 1 125 . 1 . 1 37 37 GLN H H 1 8.434 0.008 . . . . . . . 37 GLN H . 52984 1 126 . 1 . 1 37 37 GLN CA C 13 56.013 0.026 . . . . . . . 37 GLN CA . 52984 1 127 . 1 . 1 37 37 GLN CB C 13 26.203 0 . . . . . . . 37 GLN CB . 52984 1 128 . 1 . 1 37 37 GLN N N 15 119.832 0.049 . . . . . . . 37 GLN N . 52984 1 129 . 1 . 1 41 41 THR H H 1 7.507 0.006 . . . . . . . 41 THR H . 52984 1 130 . 1 . 1 41 41 THR CA C 13 57.54 0.1 . . . . . . . 41 THR CA . 52984 1 131 . 1 . 1 41 41 THR CB C 13 72.621 0 . . . . . . . 41 THR CB . 52984 1 132 . 1 . 1 41 41 THR N N 15 118.108 0.053 . . . . . . . 41 THR N . 52984 1 133 . 1 . 1 48 48 ASN H H 1 7.466 0.003 . . . . . . . 48 ASN H . 52984 1 134 . 1 . 1 48 48 ASN HA H 1 4.52 0 . . . . . . . 48 ASN HA . 52984 1 135 . 1 . 1 48 48 ASN CA C 13 55.549 0.022 . . . . . . . 48 ASN CA . 52984 1 136 . 1 . 1 48 48 ASN CB C 13 39.12 0 . . . . . . . 48 ASN CB . 52984 1 137 . 1 . 1 48 48 ASN N N 15 123.4 0.042 . . . . . . . 48 ASN N . 52984 1 138 . 1 . 1 50 50 GLU H H 1 8.999 0.005 . . . . . . . 50 GLU H . 52984 1 139 . 1 . 1 50 50 GLU HA H 1 5.138 0 . . . . . . . 50 GLU HA . 52984 1 140 . 1 . 1 50 50 GLU CA C 13 55.108 0.002 . . . . . . . 50 GLU CA . 52984 1 141 . 1 . 1 50 50 GLU CB C 13 32.2 0 . . . . . . . 50 GLU CB . 52984 1 142 . 1 . 1 50 50 GLU N N 15 127.667 0.035 . . . . . . . 50 GLU N . 52984 1 143 . 1 . 1 51 51 THR H H 1 9.016 0.002 . . . . . . . 51 THR H . 52984 1 144 . 1 . 1 51 51 THR HA H 1 4.026 0 . . . . . . . 51 THR HA . 52984 1 145 . 1 . 1 51 51 THR CA C 13 60.554 0.01 . . . . . . . 51 THR CA . 52984 1 146 . 1 . 1 51 51 THR N N 15 119.875 0.082 . . . . . . . 51 THR N . 52984 1 147 . 1 . 1 52 52 VAL H H 1 8.648 0.006 . . . . . . . 52 VAL H . 52984 1 148 . 1 . 1 52 52 VAL HA H 1 4.636 0 . . . . . . . 52 VAL HA . 52984 1 149 . 1 . 1 52 52 VAL CA C 13 60.977 0.017 . . . . . . . 52 VAL CA . 52984 1 150 . 1 . 1 52 52 VAL CB C 13 35.537 0 . . . . . . . 52 VAL CB . 52984 1 151 . 1 . 1 52 52 VAL N N 15 124.718 0.053 . . . . . . . 52 VAL N . 52984 1 152 . 1 . 1 53 53 THR H H 1 8.315 0.005 . . . . . . . 53 THR H . 52984 1 153 . 1 . 1 53 53 THR CA C 13 60.78 0.052 . . . . . . . 53 THR CA . 52984 1 154 . 1 . 1 53 53 THR CB C 13 71.101 0 . . . . . . . 53 THR CB . 52984 1 155 . 1 . 1 53 53 THR N N 15 120.852 0.032 . . . . . . . 53 THR N . 52984 1 156 . 1 . 1 54 54 TYR H H 1 8.969 0.008 . . . . . . . 54 TYR H . 52984 1 157 . 1 . 1 54 54 TYR HA H 1 4.563 0 . . . . . . . 54 TYR HA . 52984 1 158 . 1 . 1 54 54 TYR CA C 13 57.368 0.062 . . . . . . . 54 TYR CA . 52984 1 159 . 1 . 1 54 54 TYR CB C 13 41.172 0 . . . . . . . 54 TYR CB . 52984 1 160 . 1 . 1 54 54 TYR N N 15 127.057 0.052 . . . . . . . 54 TYR N . 52984 1 161 . 1 . 1 55 55 LYS H H 1 8.798 0.003 . . . . . . . 55 LYS H . 52984 1 162 . 1 . 1 55 55 LYS HA H 1 3.413 0 . . . . . . . 55 LYS HA . 52984 1 163 . 1 . 1 55 55 LYS CA C 13 58.98 0.014 . . . . . . . 55 LYS CA . 52984 1 164 . 1 . 1 55 55 LYS CB C 13 29.408 0 . . . . . . . 55 LYS CB . 52984 1 165 . 1 . 1 55 55 LYS N N 15 124.549 0.035 . . . . . . . 55 LYS N . 52984 1 166 . 1 . 1 56 56 ASN H H 1 8.881 0.003 . . . . . . . 56 ASN H . 52984 1 167 . 1 . 1 56 56 ASN HA H 1 5.041 0 . . . . . . . 56 ASN HA . 52984 1 168 . 1 . 1 56 56 ASN CA C 13 53.049 0.045 . . . . . . . 56 ASN CA . 52984 1 169 . 1 . 1 56 56 ASN CB C 13 38.658 0 . . . . . . . 56 ASN CB . 52984 1 170 . 1 . 1 56 56 ASN N N 15 121.524 0.036 . . . . . . . 56 ASN N . 52984 1 171 . 1 . 1 57 57 VAL H H 1 9.119 0.004 . . . . . . . 57 VAL H . 52984 1 172 . 1 . 1 57 57 VAL HA H 1 4.695 0 . . . . . . . 57 VAL HA . 52984 1 173 . 1 . 1 57 57 VAL CA C 13 61.838 0.002 . . . . . . . 57 VAL CA . 52984 1 174 . 1 . 1 57 57 VAL CB C 13 32.662 0 . . . . . . . 57 VAL CB . 52984 1 175 . 1 . 1 57 57 VAL N N 15 124.077 0.06 . . . . . . . 57 VAL N . 52984 1 176 . 1 . 1 58 58 LYS H H 1 8.245 0.005 . . . . . . . 58 LYS H . 52984 1 177 . 1 . 1 58 58 LYS HA H 1 5.129 0 . . . . . . . 58 LYS HA . 52984 1 178 . 1 . 1 58 58 LYS CA C 13 55.082 0.005 . . . . . . . 58 LYS CA . 52984 1 179 . 1 . 1 58 58 LYS CB C 13 35.77 0 . . . . . . . 58 LYS CB . 52984 1 180 . 1 . 1 58 58 LYS N N 15 126.553 0.049 . . . . . . . 58 LYS N . 52984 1 181 . 1 . 1 59 59 PHE H H 1 9.13 0.004 . . . . . . . 59 PHE H . 52984 1 182 . 1 . 1 59 59 PHE HA H 1 5.503 0 . . . . . . . 59 PHE HA . 52984 1 183 . 1 . 1 59 59 PHE CA C 13 56.329 0.014 . . . . . . . 59 PHE CA . 52984 1 184 . 1 . 1 59 59 PHE CB C 13 42.564 0 . . . . . . . 59 PHE CB . 52984 1 185 . 1 . 1 59 59 PHE N N 15 122.651 0.032 . . . . . . . 59 PHE N . 52984 1 186 . 1 . 1 60 60 ASN H H 1 8.332 0.007 . . . . . . . 60 ASN H . 52984 1 187 . 1 . 1 60 60 ASN CA C 13 53.561 0.024 . . . . . . . 60 ASN CA . 52984 1 188 . 1 . 1 60 60 ASN CB C 13 43.019 0 . . . . . . . 60 ASN CB . 52984 1 189 . 1 . 1 60 60 ASN N N 15 118.392 0.048 . . . . . . . 60 ASN N . 52984 1 190 . 1 . 1 61 61 VAL H H 1 9.329 0.003 . . . . . . . 61 VAL H . 52984 1 191 . 1 . 1 61 61 VAL HA H 1 5.186 0 . . . . . . . 61 VAL HA . 52984 1 192 . 1 . 1 61 61 VAL CA C 13 60.853 0.003 . . . . . . . 61 VAL CA . 52984 1 193 . 1 . 1 61 61 VAL CB C 13 35.698 0 . . . . . . . 61 VAL CB . 52984 1 194 . 1 . 1 61 61 VAL N N 15 122.531 0.035 . . . . . . . 61 VAL N . 52984 1 195 . 1 . 1 63 63 ASP H H 1 8.645 0.004 . . . . . . . 63 ASP H . 52984 1 196 . 1 . 1 63 63 ASP HA H 1 5.137 0 . . . . . . . 63 ASP HA . 52984 1 197 . 1 . 1 63 63 ASP CA C 13 53.211 0.014 . . . . . . . 63 ASP CA . 52984 1 198 . 1 . 1 63 63 ASP CB C 13 41.409 0 . . . . . . . 63 ASP CB . 52984 1 199 . 1 . 1 63 63 ASP N N 15 116.479 0.029 . . . . . . . 63 ASP N . 52984 1 200 . 1 . 1 64 64 VAL H H 1 7.955 0.005 . . . . . . . 64 VAL H . 52984 1 201 . 1 . 1 64 64 VAL HA H 1 4.948 0 . . . . . . . 64 VAL HA . 52984 1 202 . 1 . 1 64 64 VAL CA C 13 59.653 0.02 . . . . . . . 64 VAL CA . 52984 1 203 . 1 . 1 64 64 VAL CB C 13 31.533 0 . . . . . . . 64 VAL CB . 52984 1 204 . 1 . 1 64 64 VAL N N 15 115.077 0.019 . . . . . . . 64 VAL N . 52984 1 205 . 1 . 1 65 65 GLY H H 1 8.34 0.006 . . . . . . . 65 GLY H . 52984 1 206 . 1 . 1 65 65 GLY HA2 H 1 4.451 0 . . . . . . . 65 GLY HA . 52984 1 207 . 1 . 1 65 65 GLY HA3 H 1 4.451 0 . . . . . . . 65 GLY HA . 52984 1 208 . 1 . 1 65 65 GLY CA C 13 45.04 0.025 . . . . . . . 65 GLY CA . 52984 1 209 . 1 . 1 65 65 GLY N N 15 107.517 0.053 . . . . . . . 65 GLY N . 52984 1 210 . 1 . 1 66 66 GLY H H 1 8.836 0.005 . . . . . . . 66 GLY H . 52984 1 211 . 1 . 1 66 66 GLY HA2 H 1 4.209 0 . . . . . . . 66 GLY HA2 . 52984 1 212 . 1 . 1 66 66 GLY HA3 H 1 3.984 0 . . . . . . . 66 GLY HA3 . 52984 1 213 . 1 . 1 66 66 GLY CA C 13 45.654 0.001 . . . . . . . 66 GLY CA . 52984 1 214 . 1 . 1 66 66 GLY N N 15 109.78 0.027 . . . . . . . 66 GLY N . 52984 1 215 . 1 . 1 67 67 GLN H H 1 8.616 0.002 . . . . . . . 67 GLN H . 52984 1 216 . 1 . 1 67 67 GLN HA H 1 4.3 0 . . . . . . . 67 GLN HA . 52984 1 217 . 1 . 1 67 67 GLN CA C 13 56.305 0.002 . . . . . . . 67 GLN CA . 52984 1 218 . 1 . 1 67 67 GLN CB C 13 29.293 0 . . . . . . . 67 GLN CB . 52984 1 219 . 1 . 1 67 67 GLN N N 15 118.955 0.029 . . . . . . . 67 GLN N . 52984 1 220 . 1 . 1 68 68 ASP H H 1 8.567 0.007 . . . . . . . 68 ASP H . 52984 1 221 . 1 . 1 68 68 ASP CB C 13 40.816 0 . . . . . . . 68 ASP CB . 52984 1 222 . 1 . 1 68 68 ASP N N 15 120.572 0.033 . . . . . . . 68 ASP N . 52984 1 223 . 1 . 1 79 79 THR H H 1 7.404 0.004 . . . . . . . 79 THR H . 52984 1 224 . 1 . 1 79 79 THR CA C 13 65.133 0 . . . . . . . 79 THR CA . 52984 1 225 . 1 . 1 79 79 THR CB C 13 69.283 0 . . . . . . . 79 THR CB . 52984 1 226 . 1 . 1 79 79 THR N N 15 113.991 0.012 . . . . . . . 79 THR N . 52984 1 227 . 1 . 1 80 80 GLY H H 1 8.825 0.006 . . . . . . . 80 GLY H . 52984 1 228 . 1 . 1 80 80 GLY HA2 H 1 4.313 0 . . . . . . . 80 GLY HA . 52984 1 229 . 1 . 1 80 80 GLY HA3 H 1 4.313 0 . . . . . . . 80 GLY HA . 52984 1 230 . 1 . 1 80 80 GLY CA C 13 44.942 0.038 . . . . . . . 80 GLY CA . 52984 1 231 . 1 . 1 80 80 GLY N N 15 113.895 0.048 . . . . . . . 80 GLY N . 52984 1 232 . 1 . 1 81 81 THR H H 1 8.23 0.006 . . . . . . . 81 THR H . 52984 1 233 . 1 . 1 81 81 THR CA C 13 65.659 0.088 . . . . . . . 81 THR CA . 52984 1 234 . 1 . 1 81 81 THR CB C 13 69.03 0 . . . . . . . 81 THR CB . 52984 1 235 . 1 . 1 81 81 THR N N 15 117.729 0.026 . . . . . . . 81 THR N . 52984 1 236 . 1 . 1 82 82 GLN H H 1 8.322 0.005 . . . . . . . 82 GLN H . 52984 1 237 . 1 . 1 82 82 GLN CA C 13 56.161 0 . . . . . . . 82 GLN CA . 52984 1 238 . 1 . 1 82 82 GLN N N 15 123.389 0.049 . . . . . . . 82 GLN N . 52984 1 239 . 1 . 1 83 83 GLY H H 1 7.733 0.012 . . . . . . . 83 GLY H . 52984 1 240 . 1 . 1 83 83 GLY CA C 13 45.552 0.051 . . . . . . . 83 GLY CA . 52984 1 241 . 1 . 1 83 83 GLY N N 15 106 0.08 . . . . . . . 83 GLY N . 52984 1 242 . 1 . 1 84 84 LEU H H 1 9.216 0.004 . . . . . . . 84 LEU H . 52984 1 243 . 1 . 1 84 84 LEU CA C 13 52.928 0.033 . . . . . . . 84 LEU CA . 52984 1 244 . 1 . 1 84 84 LEU CB C 13 44.659 0 . . . . . . . 84 LEU CB . 52984 1 245 . 1 . 1 84 84 LEU N N 15 126.865 0.011 . . . . . . . 84 LEU N . 52984 1 246 . 1 . 1 85 85 ILE H H 1 9.618 0.006 . . . . . . . 85 ILE H . 52984 1 247 . 1 . 1 85 85 ILE HA H 1 5.349 0 . . . . . . . 85 ILE HA . 52984 1 248 . 1 . 1 85 85 ILE CA C 13 59.538 0 . . . . . . . 85 ILE CA . 52984 1 249 . 1 . 1 85 85 ILE CB C 13 39.324 0 . . . . . . . 85 ILE CB . 52984 1 250 . 1 . 1 85 85 ILE N N 15 125.517 0.08 . . . . . . . 85 ILE N . 52984 1 251 . 1 . 1 86 86 PHE H H 1 9.71 0.005 . . . . . . . 86 PHE H . 52984 1 252 . 1 . 1 86 86 PHE HA H 1 5.438 0 . . . . . . . 86 PHE HA . 52984 1 253 . 1 . 1 86 86 PHE CA C 13 55.909 0.05 . . . . . . . 86 PHE CA . 52984 1 254 . 1 . 1 86 86 PHE CB C 13 42.557 0 . . . . . . . 86 PHE CB . 52984 1 255 . 1 . 1 86 86 PHE N N 15 130.702 0.029 . . . . . . . 86 PHE N . 52984 1 256 . 1 . 1 87 87 VAL H H 1 8.495 0.005 . . . . . . . 87 VAL H . 52984 1 257 . 1 . 1 87 87 VAL HA H 1 4.502 0 . . . . . . . 87 VAL HA . 52984 1 258 . 1 . 1 87 87 VAL CA C 13 61.808 0.002 . . . . . . . 87 VAL CA . 52984 1 259 . 1 . 1 87 87 VAL CB C 13 32.976 0 . . . . . . . 87 VAL CB . 52984 1 260 . 1 . 1 87 87 VAL N N 15 128.8 0.034 . . . . . . . 87 VAL N . 52984 1 261 . 1 . 1 88 88 VAL H H 1 8.544 0.002 . . . . . . . 88 VAL H . 52984 1 262 . 1 . 1 88 88 VAL HA H 1 4.239 0 . . . . . . . 88 VAL HA . 52984 1 263 . 1 . 1 88 88 VAL CA C 13 59.762 0.025 . . . . . . . 88 VAL CA . 52984 1 264 . 1 . 1 88 88 VAL CB C 13 35.939 0 . . . . . . . 88 VAL CB . 52984 1 265 . 1 . 1 88 88 VAL N N 15 122.328 0.043 . . . . . . . 88 VAL N . 52984 1 266 . 1 . 1 89 89 ASP H H 1 8.998 0.004 . . . . . . . 89 ASP H . 52984 1 267 . 1 . 1 89 89 ASP CA C 13 52.995 0.061 . . . . . . . 89 ASP CA . 52984 1 268 . 1 . 1 89 89 ASP CB C 13 41.125 0 . . . . . . . 89 ASP CB . 52984 1 269 . 1 . 1 89 89 ASP N N 15 123.372 0.039 . . . . . . . 89 ASP N . 52984 1 270 . 1 . 1 90 90 CYS H H 1 8.39 0.007 . . . . . . . 90 CYS H . 52984 1 271 . 1 . 1 90 90 CYS HA H 1 4.092 0 . . . . . . . 90 CYS HA . 52984 1 272 . 1 . 1 90 90 CYS CA C 13 63.07 0.024 . . . . . . . 90 CYS CA . 52984 1 273 . 1 . 1 90 90 CYS CB C 13 27.458 0 . . . . . . . 90 CYS CB . 52984 1 274 . 1 . 1 90 90 CYS N N 15 124.105 0.046 . . . . . . . 90 CYS N . 52984 1 275 . 1 . 1 91 91 ALA H H 1 9.144 0.004 . . . . . . . 91 ALA H . 52984 1 276 . 1 . 1 91 91 ALA HA H 1 4.556 0 . . . . . . . 91 ALA HA . 52984 1 277 . 1 . 1 91 91 ALA CA C 13 51.775 0.03 . . . . . . . 91 ALA CA . 52984 1 278 . 1 . 1 91 91 ALA CB C 13 20.124 0 . . . . . . . 91 ALA CB . 52984 1 279 . 1 . 1 91 91 ALA N N 15 122.08 0.028 . . . . . . . 91 ALA N . 52984 1 280 . 1 . 1 92 92 ASP H H 1 6.92 0.003 . . . . . . . 92 ASP H . 52984 1 281 . 1 . 1 92 92 ASP CA C 13 52.255 0.088 . . . . . . . 92 ASP CA . 52984 1 282 . 1 . 1 92 92 ASP CB C 13 38.971 0 . . . . . . . 92 ASP CB . 52984 1 283 . 1 . 1 92 92 ASP N N 15 120.388 0.042 . . . . . . . 92 ASP N . 52984 1 284 . 1 . 1 93 93 ARG H H 1 8.134 0.002 . . . . . . . 93 ARG H . 52984 1 285 . 1 . 1 93 93 ARG HA H 1 3.836 0 . . . . . . . 93 ARG HA . 52984 1 286 . 1 . 1 93 93 ARG CA C 13 58.996 0.008 . . . . . . . 93 ARG CA . 52984 1 287 . 1 . 1 93 93 ARG CB C 13 29.937 0 . . . . . . . 93 ARG CB . 52984 1 288 . 1 . 1 93 93 ARG N N 15 123.699 0.037 . . . . . . . 93 ARG N . 52984 1 289 . 1 . 1 94 94 ASP H H 1 8.502 0.002 . . . . . . . 94 ASP H . 52984 1 290 . 1 . 1 94 94 ASP HA H 1 4.557 0 . . . . . . . 94 ASP HA . 52984 1 291 . 1 . 1 94 94 ASP HB2 H 1 2.782 0 . . . . . . . 94 ASP HB . 52984 1 292 . 1 . 1 94 94 ASP HB3 H 1 2.782 0 . . . . . . . 94 ASP HB . 52984 1 293 . 1 . 1 94 94 ASP CA C 13 56.92 0.018 . . . . . . . 94 ASP CA . 52984 1 294 . 1 . 1 94 94 ASP CB C 13 40.753 0 . . . . . . . 94 ASP CB . 52984 1 295 . 1 . 1 94 94 ASP N N 15 118.787 0.029 . . . . . . . 94 ASP N . 52984 1 296 . 1 . 1 95 95 ARG H H 1 7.194 0.003 . . . . . . . 95 ARG H . 52984 1 297 . 1 . 1 95 95 ARG HA H 1 4.936 0 . . . . . . . 95 ARG HA . 52984 1 298 . 1 . 1 95 95 ARG CA C 13 56.409 0.01 . . . . . . . 95 ARG CA . 52984 1 299 . 1 . 1 95 95 ARG CB C 13 31.701 0 . . . . . . . 95 ARG CB . 52984 1 300 . 1 . 1 95 95 ARG N N 15 114.189 0.033 . . . . . . . 95 ARG N . 52984 1 301 . 1 . 1 96 96 ILE H H 1 7.09 0.002 . . . . . . . 96 ILE H . 52984 1 302 . 1 . 1 96 96 ILE HA H 1 4.207 0 . . . . . . . 96 ILE HA . 52984 1 303 . 1 . 1 96 96 ILE CA C 13 61.422 0.037 . . . . . . . 96 ILE CA . 52984 1 304 . 1 . 1 96 96 ILE CB C 13 37.7 0 . . . . . . . 96 ILE CB . 52984 1 305 . 1 . 1 96 96 ILE N N 15 120.967 0.027 . . . . . . . 96 ILE N . 52984 1 306 . 1 . 1 97 97 ASP H H 1 8.52 0.003 . . . . . . . 97 ASP H . 52984 1 307 . 1 . 1 97 97 ASP HA H 1 4.537 0 . . . . . . . 97 ASP HA . 52984 1 308 . 1 . 1 97 97 ASP HB2 H 1 2.611 0 . . . . . . . 97 ASP HB1 . 52984 1 309 . 1 . 1 97 97 ASP HB3 H 1 2.675 0 . . . . . . . 97 ASP HB2 . 52984 1 310 . 1 . 1 97 97 ASP CA C 13 57.826 0.001 . . . . . . . 97 ASP CA . 52984 1 311 . 1 . 1 97 97 ASP CB C 13 40.833 0 . . . . . . . 97 ASP CB . 52984 1 312 . 1 . 1 97 97 ASP N N 15 122.172 0.048 . . . . . . . 97 ASP N . 52984 1 313 . 1 . 1 98 98 GLU H H 1 7.777 0.003 . . . . . . . 98 GLU H . 52984 1 314 . 1 . 1 98 98 GLU HA H 1 4.088 0 . . . . . . . 98 GLU HA . 52984 1 315 . 1 . 1 98 98 GLU CA C 13 59.341 0.024 . . . . . . . 98 GLU CA . 52984 1 316 . 1 . 1 98 98 GLU CB C 13 29.129 0 . . . . . . . 98 GLU CB . 52984 1 317 . 1 . 1 98 98 GLU N N 15 122.663 0.033 . . . . . . . 98 GLU N . 52984 1 318 . 1 . 1 99 99 ALA H H 1 8.195 0.003 . . . . . . . 99 ALA H . 52984 1 319 . 1 . 1 99 99 ALA HA H 1 4.044 0 . . . . . . . 99 ALA HA . 52984 1 320 . 1 . 1 99 99 ALA CA C 13 56.159 0.005 . . . . . . . 99 ALA CA . 52984 1 321 . 1 . 1 99 99 ALA CB C 13 17.617 0 . . . . . . . 99 ALA CB . 52984 1 322 . 1 . 1 99 99 ALA N N 15 121.939 0.028 . . . . . . . 99 ALA N . 52984 1 323 . 1 . 1 100 100 ARG H H 1 8.327 0.003 . . . . . . . 100 ARG H . 52984 1 324 . 1 . 1 100 100 ARG CA C 13 60.594 0.006 . . . . . . . 100 ARG CA . 52984 1 325 . 1 . 1 100 100 ARG CB C 13 29.098 0 . . . . . . . 100 ARG CB . 52984 1 326 . 1 . 1 100 100 ARG N N 15 117.161 0.029 . . . . . . . 100 ARG N . 52984 1 327 . 1 . 1 101 101 GLN H H 1 8.159 0.004 . . . . . . . 101 GLN H . 52984 1 328 . 1 . 1 101 101 GLN HA H 1 3.946 0 . . . . . . . 101 GLN HA . 52984 1 329 . 1 . 1 101 101 GLN CA C 13 59.338 0.016 . . . . . . . 101 GLN CA . 52984 1 330 . 1 . 1 101 101 GLN CB C 13 28.623 0 . . . . . . . 101 GLN CB . 52984 1 331 . 1 . 1 101 101 GLN N N 15 117.487 0.033 . . . . . . . 101 GLN N . 52984 1 332 . 1 . 1 102 102 GLU H H 1 8.437 0.003 . . . . . . . 102 GLU H . 52984 1 333 . 1 . 1 102 102 GLU HA H 1 4.399 0 . . . . . . . 102 GLU HA . 52984 1 334 . 1 . 1 102 102 GLU CA C 13 58.534 0.023 . . . . . . . 102 GLU CA . 52984 1 335 . 1 . 1 102 102 GLU CB C 13 29.748 0 . . . . . . . 102 GLU CB . 52984 1 336 . 1 . 1 102 102 GLU N N 15 117.577 0.037 . . . . . . . 102 GLU N . 52984 1 337 . 1 . 1 103 103 LEU H H 1 8.449 0.003 . . . . . . . 103 LEU H . 52984 1 338 . 1 . 1 103 103 LEU CA C 13 59.232 0 . . . . . . . 103 LEU CA . 52984 1 339 . 1 . 1 103 103 LEU CB C 13 40.276 0 . . . . . . . 103 LEU CB . 52984 1 340 . 1 . 1 103 103 LEU N N 15 120.231 0.036 . . . . . . . 103 LEU N . 52984 1 341 . 1 . 1 106 106 ILE H H 1 7.692 0.004 . . . . . . . 106 ILE H . 52984 1 342 . 1 . 1 106 106 ILE CA C 13 65.221 0.012 . . . . . . . 106 ILE CA . 52984 1 343 . 1 . 1 106 106 ILE N N 15 119.336 0.083 . . . . . . . 106 ILE N . 52984 1 344 . 1 . 1 107 107 ILE H H 1 7.951 0.007 . . . . . . . 107 ILE H . 52984 1 345 . 1 . 1 107 107 ILE HA H 1 3.703 0 . . . . . . . 107 ILE HA . 52984 1 346 . 1 . 1 107 107 ILE CA C 13 64.722 0.009 . . . . . . . 107 ILE CA . 52984 1 347 . 1 . 1 107 107 ILE CB C 13 37.422 0 . . . . . . . 107 ILE CB . 52984 1 348 . 1 . 1 107 107 ILE N N 15 109.596 0.035 . . . . . . . 107 ILE N . 52984 1 349 . 1 . 1 109 109 ASP H H 1 8.066 0.005 . . . . . . . 109 ASP H . 52984 1 350 . 1 . 1 109 109 ASP HA H 1 3.815 0 . . . . . . . 109 ASP HA . 52984 1 351 . 1 . 1 109 109 ASP CA C 13 60.614 0.001 . . . . . . . 109 ASP CA . 52984 1 352 . 1 . 1 109 109 ASP N N 15 115.347 0.041 . . . . . . . 109 ASP N . 52984 1 353 . 1 . 1 110 110 ARG H H 1 7.756 0.003 . . . . . . . 110 ARG H . 52984 1 354 . 1 . 1 110 110 ARG HA H 1 4.109 0 . . . . . . . 110 ARG HA . 52984 1 355 . 1 . 1 110 110 ARG CA C 13 59.617 0.017 . . . . . . . 110 ARG CA . 52984 1 356 . 1 . 1 110 110 ARG CB C 13 30.676 0 . . . . . . . 110 ARG CB . 52984 1 357 . 1 . 1 110 110 ARG N N 15 119.062 0.008 . . . . . . . 110 ARG N . 52984 1 358 . 1 . 1 111 111 GLU H H 1 9.474 0.003 . . . . . . . 111 GLU H . 52984 1 359 . 1 . 1 111 111 GLU HA H 1 4.405 0 . . . . . . . 111 GLU HA . 52984 1 360 . 1 . 1 111 111 GLU CA C 13 57.246 0.073 . . . . . . . 111 GLU CA . 52984 1 361 . 1 . 1 111 111 GLU CB C 13 30.224 0 . . . . . . . 111 GLU CB . 52984 1 362 . 1 . 1 111 111 GLU N N 15 116.871 0.037 . . . . . . . 111 GLU N . 52984 1 363 . 1 . 1 112 112 MET H H 1 7.907 0.004 . . . . . . . 112 MET H . 52984 1 364 . 1 . 1 112 112 MET HA H 1 5.056 0 . . . . . . . 112 MET HA . 52984 1 365 . 1 . 1 112 112 MET CA C 13 53.093 0.044 . . . . . . . 112 MET CA . 52984 1 366 . 1 . 1 112 112 MET CB C 13 31.947 0 . . . . . . . 112 MET CB . 52984 1 367 . 1 . 1 112 112 MET N N 15 115.951 0.031 . . . . . . . 112 MET N . 52984 1 368 . 1 . 1 113 113 ARG H H 1 7.211 0.005 . . . . . . . 113 ARG H . 52984 1 369 . 1 . 1 113 113 ARG HA H 1 4.154 0 . . . . . . . 113 ARG HA . 52984 1 370 . 1 . 1 113 113 ARG CA C 13 58.875 0.02 . . . . . . . 113 ARG CA . 52984 1 371 . 1 . 1 113 113 ARG CB C 13 30.312 0 . . . . . . . 113 ARG CB . 52984 1 372 . 1 . 1 113 113 ARG N N 15 120.338 0.055 . . . . . . . 113 ARG N . 52984 1 373 . 1 . 1 114 114 ASP H H 1 8.305 0.003 . . . . . . . 114 ASP H . 52984 1 374 . 1 . 1 114 114 ASP HA H 1 4.924 0 . . . . . . . 114 ASP HA . 52984 1 375 . 1 . 1 114 114 ASP HB2 H 1 2.608 0 . . . . . . . 114 ASP HB1 . 52984 1 376 . 1 . 1 114 114 ASP HB3 H 1 2.927 0 . . . . . . . 114 ASP HB2 . 52984 1 377 . 1 . 1 114 114 ASP CA C 13 54.082 0.007 . . . . . . . 114 ASP CA . 52984 1 378 . 1 . 1 114 114 ASP CB C 13 41.856 0 . . . . . . . 114 ASP CB . 52984 1 379 . 1 . 1 114 114 ASP N N 15 115.217 0.03 . . . . . . . 114 ASP N . 52984 1 380 . 1 . 1 115 115 ALA H H 1 7.214 0.005 . . . . . . . 115 ALA H . 52984 1 381 . 1 . 1 115 115 ALA HA H 1 4.202 0 . . . . . . . 115 ALA HA . 52984 1 382 . 1 . 1 115 115 ALA CA C 13 52.712 0.013 . . . . . . . 115 ALA CA . 52984 1 383 . 1 . 1 115 115 ALA CB C 13 18.267 0 . . . . . . . 115 ALA CB . 52984 1 384 . 1 . 1 115 115 ALA N N 15 122.483 0.027 . . . . . . . 115 ALA N . 52984 1 385 . 1 . 1 117 117 ILE H H 1 8.402 0.007 . . . . . . . 117 ILE H . 52984 1 386 . 1 . 1 117 117 ILE HA H 1 5.067 0 . . . . . . . 117 ILE HA . 52984 1 387 . 1 . 1 117 117 ILE CA C 13 61.329 0.101 . . . . . . . 117 ILE CA . 52984 1 388 . 1 . 1 117 117 ILE CB C 13 41.388 0 . . . . . . . 117 ILE CB . 52984 1 389 . 1 . 1 117 117 ILE N N 15 121.103 0.038 . . . . . . . 117 ILE N . 52984 1 390 . 1 . 1 118 118 LEU H H 1 9.452 0.005 . . . . . . . 118 LEU H . 52984 1 391 . 1 . 1 118 118 LEU HA H 1 4.938 0 . . . . . . . 118 LEU HA . 52984 1 392 . 1 . 1 118 118 LEU CA C 13 52.612 0.017 . . . . . . . 118 LEU CA . 52984 1 393 . 1 . 1 118 118 LEU CB C 13 45.386 0 . . . . . . . 118 LEU CB . 52984 1 394 . 1 . 1 118 118 LEU N N 15 128.437 0.039 . . . . . . . 118 LEU N . 52984 1 395 . 1 . 1 119 119 ILE H H 1 9.211 0.005 . . . . . . . 119 ILE H . 52984 1 396 . 1 . 1 119 119 ILE HA H 1 5.419 0 . . . . . . . 119 ILE HA . 52984 1 397 . 1 . 1 119 119 ILE CA C 13 57.054 0.029 . . . . . . . 119 ILE CA . 52984 1 398 . 1 . 1 119 119 ILE CB C 13 37.953 0 . . . . . . . 119 ILE CB . 52984 1 399 . 1 . 1 119 119 ILE N N 15 126.117 0.036 . . . . . . . 119 ILE N . 52984 1 400 . 1 . 1 120 120 PHE H H 1 8.46 0.005 . . . . . . . 120 PHE H . 52984 1 401 . 1 . 1 120 120 PHE HA H 1 5.516 0 . . . . . . . 120 PHE HA . 52984 1 402 . 1 . 1 120 120 PHE CA C 13 57.931 0 . . . . . . . 120 PHE CA . 52984 1 403 . 1 . 1 120 120 PHE CB C 13 39.404 0 . . . . . . . 120 PHE CB . 52984 1 404 . 1 . 1 120 120 PHE N N 15 124.96 0.036 . . . . . . . 120 PHE N . 52984 1 405 . 1 . 1 121 121 ALA H H 1 8.764 0.004 . . . . . . . 121 ALA H . 52984 1 406 . 1 . 1 121 121 ALA HA H 1 4.219 0 . . . . . . . 121 ALA HA . 52984 1 407 . 1 . 1 121 121 ALA HB1 H 1 1.106 0 . . . . . . . 121 ALA HB . 52984 1 408 . 1 . 1 121 121 ALA HB2 H 1 1.106 0 . . . . . . . 121 ALA HB . 52984 1 409 . 1 . 1 121 121 ALA HB3 H 1 1.106 0 . . . . . . . 121 ALA HB . 52984 1 410 . 1 . 1 121 121 ALA CA C 13 50.361 0.016 . . . . . . . 121 ALA CA . 52984 1 411 . 1 . 1 121 121 ALA CB C 13 16.951 0 . . . . . . . 121 ALA CB . 52984 1 412 . 1 . 1 121 121 ALA N N 15 130.463 0.039 . . . . . . . 121 ALA N . 52984 1 413 . 1 . 1 122 122 ASN H H 1 8.529 0.005 . . . . . . . 122 ASN H . 52984 1 414 . 1 . 1 122 122 ASN HA H 1 5.561 0 . . . . . . . 122 ASN HA . 52984 1 415 . 1 . 1 122 122 ASN CA C 13 53.552 0.018 . . . . . . . 122 ASN CA . 52984 1 416 . 1 . 1 122 122 ASN CB C 13 41.773 0 . . . . . . . 122 ASN CB . 52984 1 417 . 1 . 1 122 122 ASN N N 15 124.551 0.03 . . . . . . . 122 ASN N . 52984 1 418 . 1 . 1 123 123 LYS H H 1 7.329 0.004 . . . . . . . 123 LYS H . 52984 1 419 . 1 . 1 123 123 LYS HA H 1 4.548 0 . . . . . . . 123 LYS HA . 52984 1 420 . 1 . 1 123 123 LYS CA C 13 56.935 0.042 . . . . . . . 123 LYS CA . 52984 1 421 . 1 . 1 123 123 LYS CB C 13 28.539 0 . . . . . . . 123 LYS CB . 52984 1 422 . 1 . 1 123 123 LYS N N 15 114.02 0.028 . . . . . . . 123 LYS N . 52984 1 423 . 1 . 1 124 124 GLN H H 1 8.099 0.003 . . . . . . . 124 GLN H . 52984 1 424 . 1 . 1 124 124 GLN CB C 13 29.06 0 . . . . . . . 124 GLN CB . 52984 1 425 . 1 . 1 124 124 GLN N N 15 112.196 0.036 . . . . . . . 124 GLN N . 52984 1 426 . 1 . 1 125 125 ASP H H 1 9.775 0.004 . . . . . . . 125 ASP H . 52984 1 427 . 1 . 1 125 125 ASP HA H 1 4.328 0 . . . . . . . 125 ASP HA . 52984 1 428 . 1 . 1 125 125 ASP CA C 13 54.528 0.029 . . . . . . . 125 ASP CA . 52984 1 429 . 1 . 1 125 125 ASP CB C 13 40.874 0 . . . . . . . 125 ASP CB . 52984 1 430 . 1 . 1 125 125 ASP N N 15 114.081 0.054 . . . . . . . 125 ASP N . 52984 1 431 . 1 . 1 126 126 LEU H H 1 7.439 0.003 . . . . . . . 126 LEU H . 52984 1 432 . 1 . 1 126 126 LEU HA H 1 4.578 0 . . . . . . . 126 LEU HA . 52984 1 433 . 1 . 1 126 126 LEU CA C 13 53.182 0.051 . . . . . . . 126 LEU CA . 52984 1 434 . 1 . 1 126 126 LEU CB C 13 40.144 0 . . . . . . . 126 LEU CB . 52984 1 435 . 1 . 1 126 126 LEU N N 15 122.384 0.037 . . . . . . . 126 LEU N . 52984 1 436 . 1 . 1 128 128 ASP H H 1 8.672 0.003 . . . . . . . 128 ASP H . 52984 1 437 . 1 . 1 128 128 ASP HA H 1 4.512 0 . . . . . . . 128 ASP HA . 52984 1 438 . 1 . 1 128 128 ASP HB2 H 1 2.863 0 . . . . . . . 128 ASP HB . 52984 1 439 . 1 . 1 128 128 ASP HB3 H 1 2.863 0 . . . . . . . 128 ASP HB . 52984 1 440 . 1 . 1 128 128 ASP CA C 13 54.099 0.024 . . . . . . . 128 ASP CA . 52984 1 441 . 1 . 1 128 128 ASP CB C 13 40.036 0 . . . . . . . 128 ASP CB . 52984 1 442 . 1 . 1 128 128 ASP N N 15 115.764 0.035 . . . . . . . 128 ASP N . 52984 1 443 . 1 . 1 129 129 ALA H H 1 7.44 0.003 . . . . . . . 129 ALA H . 52984 1 444 . 1 . 1 129 129 ALA HA H 1 3.78 0 . . . . . . . 129 ALA HA . 52984 1 445 . 1 . 1 129 129 ALA CA C 13 52.978 0.026 . . . . . . . 129 ALA CA . 52984 1 446 . 1 . 1 129 129 ALA CB C 13 18.682 0 . . . . . . . 129 ALA CB . 52984 1 447 . 1 . 1 129 129 ALA N N 15 121.36 0.034 . . . . . . . 129 ALA N . 52984 1 448 . 1 . 1 130 130 MET H H 1 8.566 0.003 . . . . . . . 130 MET H . 52984 1 449 . 1 . 1 130 130 MET CA C 13 57.126 0.036 . . . . . . . 130 MET CA . 52984 1 450 . 1 . 1 130 130 MET CB C 13 35.754 0 . . . . . . . 130 MET CB . 52984 1 451 . 1 . 1 130 130 MET N N 15 122.215 0.027 . . . . . . . 130 MET N . 52984 1 452 . 1 . 1 131 131 LYS H H 1 8.911 0.003 . . . . . . . 131 LYS H . 52984 1 453 . 1 . 1 131 131 LYS HA H 1 4.629 0 . . . . . . . 131 LYS HA . 52984 1 454 . 1 . 1 131 131 LYS CA C 13 53.983 0.007 . . . . . . . 131 LYS CA . 52984 1 455 . 1 . 1 131 131 LYS CB C 13 31.382 0 . . . . . . . 131 LYS CB . 52984 1 456 . 1 . 1 131 131 LYS N N 15 121.561 0.034 . . . . . . . 131 LYS N . 52984 1 457 . 1 . 1 133 133 HIS H H 1 8.509 0.004 . . . . . . . 133 HIS H . 52984 1 458 . 1 . 1 133 133 HIS CA C 13 59.895 0.019 . . . . . . . 133 HIS CA . 52984 1 459 . 1 . 1 133 133 HIS CB C 13 29.166 0 . . . . . . . 133 HIS CB . 52984 1 460 . 1 . 1 133 133 HIS N N 15 114.123 0.007 . . . . . . . 133 HIS N . 52984 1 461 . 1 . 1 134 134 GLU H H 1 6.887 0.002 . . . . . . . 134 GLU H . 52984 1 462 . 1 . 1 134 134 GLU HA H 1 4.181 0 . . . . . . . 134 GLU HA . 52984 1 463 . 1 . 1 134 134 GLU CA C 13 58.438 0.029 . . . . . . . 134 GLU CA . 52984 1 464 . 1 . 1 134 134 GLU CB C 13 30.121 0 . . . . . . . 134 GLU CB . 52984 1 465 . 1 . 1 134 134 GLU N N 15 121.249 0.031 . . . . . . . 134 GLU N . 52984 1 466 . 1 . 1 135 135 ILE H H 1 7.898 0.004 . . . . . . . 135 ILE H . 52984 1 467 . 1 . 1 135 135 ILE HA H 1 3.693 0 . . . . . . . 135 ILE HA . 52984 1 468 . 1 . 1 135 135 ILE CA C 13 61.67 0.022 . . . . . . . 135 ILE CA . 52984 1 469 . 1 . 1 135 135 ILE CB C 13 35.047 0 . . . . . . . 135 ILE CB . 52984 1 470 . 1 . 1 135 135 ILE N N 15 119.36 0.033 . . . . . . . 135 ILE N . 52984 1 471 . 1 . 1 136 136 GLN H H 1 8.32 0.003 . . . . . . . 136 GLN H . 52984 1 472 . 1 . 1 136 136 GLN HA H 1 3.576 0 . . . . . . . 136 GLN HA . 52984 1 473 . 1 . 1 136 136 GLN CA C 13 59.592 0.009 . . . . . . . 136 GLN CA . 52984 1 474 . 1 . 1 136 136 GLN CB C 13 28.356 0 . . . . . . . 136 GLN CB . 52984 1 475 . 1 . 1 136 136 GLN N N 15 118.089 0.03 . . . . . . . 136 GLN N . 52984 1 476 . 1 . 1 137 137 GLU H H 1 7.046 0.002 . . . . . . . 137 GLU H . 52984 1 477 . 1 . 1 137 137 GLU HA H 1 4.216 0 . . . . . . . 137 GLU HA . 52984 1 478 . 1 . 1 137 137 GLU HB2 H 1 2.191 0 . . . . . . . 137 GLU HB . 52984 1 479 . 1 . 1 137 137 GLU HB3 H 1 2.191 0 . . . . . . . 137 GLU HB . 52984 1 480 . 1 . 1 137 137 GLU CA C 13 58.739 0.026 . . . . . . . 137 GLU CA . 52984 1 481 . 1 . 1 137 137 GLU CB C 13 29.941 0 . . . . . . . 137 GLU CB . 52984 1 482 . 1 . 1 137 137 GLU N N 15 117.288 0.026 . . . . . . . 137 GLU N . 52984 1 483 . 1 . 1 138 138 LYS H H 1 8.867 0.002 . . . . . . . 138 LYS H . 52984 1 484 . 1 . 1 138 138 LYS HA H 1 4.1 0 . . . . . . . 138 LYS HA . 52984 1 485 . 1 . 1 138 138 LYS CA C 13 58.66 0.049 . . . . . . . 138 LYS CA . 52984 1 486 . 1 . 1 138 138 LYS CB C 13 32.994 0 . . . . . . . 138 LYS CB . 52984 1 487 . 1 . 1 138 138 LYS N N 15 120.004 0.028 . . . . . . . 138 LYS N . 52984 1 488 . 1 . 1 139 139 LEU H H 1 8.176 0.004 . . . . . . . 139 LEU H . 52984 1 489 . 1 . 1 139 139 LEU HA H 1 4.241 0 . . . . . . . 139 LEU HA . 52984 1 490 . 1 . 1 139 139 LEU CA C 13 54.511 0.041 . . . . . . . 139 LEU CA . 52984 1 491 . 1 . 1 139 139 LEU CB C 13 41.502 0 . . . . . . . 139 LEU CB . 52984 1 492 . 1 . 1 139 139 LEU N N 15 113.047 0.028 . . . . . . . 139 LEU N . 52984 1 493 . 1 . 1 140 140 GLY H H 1 7.797 0.004 . . . . . . . 140 GLY H . 52984 1 494 . 1 . 1 140 140 GLY CA C 13 46.709 0.001 . . . . . . . 140 GLY CA . 52984 1 495 . 1 . 1 140 140 GLY N N 15 108.023 0.038 . . . . . . . 140 GLY N . 52984 1 496 . 1 . 1 141 141 LEU H H 1 7.385 0.005 . . . . . . . 141 LEU H . 52984 1 497 . 1 . 1 141 141 LEU HA H 1 3.437 0 . . . . . . . 141 LEU HA . 52984 1 498 . 1 . 1 141 141 LEU CA C 13 56.435 0.007 . . . . . . . 141 LEU CA . 52984 1 499 . 1 . 1 141 141 LEU CB C 13 38.901 0 . . . . . . . 141 LEU CB . 52984 1 500 . 1 . 1 141 141 LEU N N 15 116.311 0.028 . . . . . . . 141 LEU N . 52984 1 501 . 1 . 1 142 142 THR H H 1 7.402 0.003 . . . . . . . 142 THR H . 52984 1 502 . 1 . 1 142 142 THR HA H 1 4.104 0 . . . . . . . 142 THR HA . 52984 1 503 . 1 . 1 142 142 THR CA C 13 64.594 0.018 . . . . . . . 142 THR CA . 52984 1 504 . 1 . 1 142 142 THR CB C 13 68.529 0 . . . . . . . 142 THR CB . 52984 1 505 . 1 . 1 142 142 THR N N 15 107.155 0.029 . . . . . . . 142 THR N . 52984 1 506 . 1 . 1 143 143 ARG H H 1 7.244 0.003 . . . . . . . 143 ARG H . 52984 1 507 . 1 . 1 143 143 ARG HA H 1 4.373 0 . . . . . . . 143 ARG HA . 52984 1 508 . 1 . 1 143 143 ARG HB2 H 1 1.772 0 . . . . . . . 143 ARG HB1 . 52984 1 509 . 1 . 1 143 143 ARG HB3 H 1 2.025 0 . . . . . . . 143 ARG HB2 . 52984 1 510 . 1 . 1 143 143 ARG CA C 13 56.201 0.013 . . . . . . . 143 ARG CA . 52984 1 511 . 1 . 1 143 143 ARG CB C 13 30.307 0 . . . . . . . 143 ARG CB . 52984 1 512 . 1 . 1 143 143 ARG N N 15 116.349 0.029 . . . . . . . 143 ARG N . 52984 1 513 . 1 . 1 144 144 ILE H H 1 7.87 0.003 . . . . . . . 144 ILE H . 52984 1 514 . 1 . 1 144 144 ILE HA H 1 4.275 0 . . . . . . . 144 ILE HA . 52984 1 515 . 1 . 1 144 144 ILE HB H 1 2.207 0 . . . . . . . 144 ILE HB . 52984 1 516 . 1 . 1 144 144 ILE HG21 H 1 0.998 0 . . . . . . . 144 ILE HG2 . 52984 1 517 . 1 . 1 144 144 ILE HG22 H 1 0.998 0 . . . . . . . 144 ILE HG2 . 52984 1 518 . 1 . 1 144 144 ILE HG23 H 1 0.998 0 . . . . . . . 144 ILE HG2 . 52984 1 519 . 1 . 1 144 144 ILE CA C 13 61.386 0.044 . . . . . . . 144 ILE CA . 52984 1 520 . 1 . 1 144 144 ILE CB C 13 36.583 0 . . . . . . . 144 ILE CB . 52984 1 521 . 1 . 1 144 144 ILE N N 15 121.411 0.035 . . . . . . . 144 ILE N . 52984 1 522 . 1 . 1 145 145 ARG H H 1 8.698 0.004 . . . . . . . 145 ARG H . 52984 1 523 . 1 . 1 145 145 ARG HA H 1 4.779 0 . . . . . . . 145 ARG HA . 52984 1 524 . 1 . 1 145 145 ARG CA C 13 55.764 0.048 . . . . . . . 145 ARG CA . 52984 1 525 . 1 . 1 145 145 ARG CB C 13 31.335 0 . . . . . . . 145 ARG CB . 52984 1 526 . 1 . 1 145 145 ARG N N 15 125.509 0.028 . . . . . . . 145 ARG N . 52984 1 527 . 1 . 1 146 146 ASP H H 1 8.722 0.004 . . . . . . . 146 ASP H . 52984 1 528 . 1 . 1 146 146 ASP HA H 1 4.643 0 . . . . . . . 146 ASP HA . 52984 1 529 . 1 . 1 146 146 ASP CA C 13 54.021 0.01 . . . . . . . 146 ASP CA . 52984 1 530 . 1 . 1 146 146 ASP CB C 13 40.204 0 . . . . . . . 146 ASP CB . 52984 1 531 . 1 . 1 146 146 ASP N N 15 117.546 0.026 . . . . . . . 146 ASP N . 52984 1 532 . 1 . 1 147 147 ARG H H 1 7.385 0.004 . . . . . . . 147 ARG H . 52984 1 533 . 1 . 1 147 147 ARG HA H 1 4.725 0 . . . . . . . 147 ARG HA . 52984 1 534 . 1 . 1 147 147 ARG CA C 13 53.133 0.04 . . . . . . . 147 ARG CA . 52984 1 535 . 1 . 1 147 147 ARG CB C 13 32.464 0 . . . . . . . 147 ARG CB . 52984 1 536 . 1 . 1 147 147 ARG N N 15 115.503 0.061 . . . . . . . 147 ARG N . 52984 1 537 . 1 . 1 148 148 ASN H H 1 8.856 0.004 . . . . . . . 148 ASN H . 52984 1 538 . 1 . 1 148 148 ASN CB C 13 38.971 0 . . . . . . . 148 ASN CB . 52984 1 539 . 1 . 1 148 148 ASN N N 15 121.003 0.034 . . . . . . . 148 ASN N . 52984 1 540 . 1 . 1 149 149 TRP H H 1 7.686 0.003 . . . . . . . 149 TRP H . 52984 1 541 . 1 . 1 149 149 TRP HA H 1 6.366 0 . . . . . . . 149 TRP HA . 52984 1 542 . 1 . 1 149 149 TRP CA C 13 53.632 0.004 . . . . . . . 149 TRP CA . 52984 1 543 . 1 . 1 149 149 TRP CB C 13 34.009 0 . . . . . . . 149 TRP CB . 52984 1 544 . 1 . 1 149 149 TRP N N 15 119.561 0.043 . . . . . . . 149 TRP N . 52984 1 545 . 1 . 1 150 150 TYR H H 1 8.03 0.003 . . . . . . . 150 TYR H . 52984 1 546 . 1 . 1 150 150 TYR HA H 1 4.055 0 . . . . . . . 150 TYR HA . 52984 1 547 . 1 . 1 150 150 TYR CA C 13 57.801 0.005 . . . . . . . 150 TYR CA . 52984 1 548 . 1 . 1 150 150 TYR CB C 13 40.068 0 . . . . . . . 150 TYR CB . 52984 1 549 . 1 . 1 150 150 TYR N N 15 120.41 0.024 . . . . . . . 150 TYR N . 52984 1 550 . 1 . 1 151 151 VAL H H 1 7.941 0.002 . . . . . . . 151 VAL H . 52984 1 551 . 1 . 1 151 151 VAL HA H 1 4.379 0 . . . . . . . 151 VAL HA . 52984 1 552 . 1 . 1 151 151 VAL HB H 1 1.977 0 . . . . . . . 151 VAL HB . 52984 1 553 . 1 . 1 151 151 VAL CA C 13 60.931 0.007 . . . . . . . 151 VAL CA . 52984 1 554 . 1 . 1 151 151 VAL CB C 13 31.682 0 . . . . . . . 151 VAL CB . 52984 1 555 . 1 . 1 151 151 VAL N N 15 126.03 0.029 . . . . . . . 151 VAL N . 52984 1 556 . 1 . 1 152 152 GLN H H 1 9.138 0.003 . . . . . . . 152 GLN H . 52984 1 557 . 1 . 1 152 152 GLN HA H 1 4.845 0 . . . . . . . 152 GLN HA . 52984 1 558 . 1 . 1 152 152 GLN CA C 13 50.168 0.026 . . . . . . . 152 GLN CA . 52984 1 559 . 1 . 1 152 152 GLN CB C 13 32.806 0 . . . . . . . 152 GLN CB . 52984 1 560 . 1 . 1 152 152 GLN N N 15 127.706 0.038 . . . . . . . 152 GLN N . 52984 1 561 . 1 . 1 154 154 SER H H 1 8.837 0.005 . . . . . . . 154 SER H . 52984 1 562 . 1 . 1 154 154 SER HA H 1 5.157 0 . . . . . . . 154 SER HA . 52984 1 563 . 1 . 1 154 154 SER CA C 13 58.531 0.046 . . . . . . . 154 SER CA . 52984 1 564 . 1 . 1 154 154 SER CB C 13 69.531 0 . . . . . . . 154 SER CB . 52984 1 565 . 1 . 1 154 154 SER N N 15 118.234 0.031 . . . . . . . 154 SER N . 52984 1 566 . 1 . 1 155 155 CYS H H 1 8.549 0.006 . . . . . . . 155 CYS H . 52984 1 567 . 1 . 1 155 155 CYS HA H 1 5.149 0 . . . . . . . 155 CYS HA . 52984 1 568 . 1 . 1 155 155 CYS CA C 13 57.575 0.006 . . . . . . . 155 CYS CA . 52984 1 569 . 1 . 1 155 155 CYS CB C 13 28.535 0 . . . . . . . 155 CYS CB . 52984 1 570 . 1 . 1 155 155 CYS N N 15 120.196 0.034 . . . . . . . 155 CYS N . 52984 1 571 . 1 . 1 156 156 ALA H H 1 9.439 0.004 . . . . . . . 156 ALA H . 52984 1 572 . 1 . 1 156 156 ALA CA C 13 55.675 0.026 . . . . . . . 156 ALA CA . 52984 1 573 . 1 . 1 156 156 ALA CB C 13 20.144 0 . . . . . . . 156 ALA CB . 52984 1 574 . 1 . 1 156 156 ALA N N 15 132.453 0.043 . . . . . . . 156 ALA N . 52984 1 575 . 1 . 1 157 157 THR H H 1 7.075 0.002 . . . . . . . 157 THR H . 52984 1 576 . 1 . 1 157 157 THR HA H 1 3.662 0 . . . . . . . 157 THR HA . 52984 1 577 . 1 . 1 157 157 THR CA C 13 63.621 0.037 . . . . . . . 157 THR CA . 52984 1 578 . 1 . 1 157 157 THR CB C 13 67.17 0 . . . . . . . 157 THR CB . 52984 1 579 . 1 . 1 157 157 THR N N 15 102.637 0.028 . . . . . . . 157 THR N . 52984 1 580 . 1 . 1 158 158 SER H H 1 7.61 0.002 . . . . . . . 158 SER H . 52984 1 581 . 1 . 1 158 158 SER HA H 1 4.613 0 . . . . . . . 158 SER HA . 52984 1 582 . 1 . 1 158 158 SER CA C 13 58.219 0.018 . . . . . . . 158 SER CA . 52984 1 583 . 1 . 1 158 158 SER CB C 13 64.765 0 . . . . . . . 158 SER CB . 52984 1 584 . 1 . 1 158 158 SER N N 15 115.348 0.028 . . . . . . . 158 SER N . 52984 1 585 . 1 . 1 159 159 GLY H H 1 8.378 0.006 . . . . . . . 159 GLY H . 52984 1 586 . 1 . 1 159 159 GLY HA2 H 1 4.456 0 . . . . . . . 159 GLY HA2 . 52984 1 587 . 1 . 1 159 159 GLY HA3 H 1 3.305 0 . . . . . . . 159 GLY HA3 . 52984 1 588 . 1 . 1 159 159 GLY CA C 13 45.075 0.024 . . . . . . . 159 GLY CA . 52984 1 589 . 1 . 1 159 159 GLY N N 15 112.342 0.035 . . . . . . . 159 GLY N . 52984 1 590 . 1 . 1 160 160 ASP H H 1 7.961 0.003 . . . . . . . 160 ASP H . 52984 1 591 . 1 . 1 160 160 ASP HA H 1 4.508 0 . . . . . . . 160 ASP HA . 52984 1 592 . 1 . 1 160 160 ASP CA C 13 56.426 0.001 . . . . . . . 160 ASP CA . 52984 1 593 . 1 . 1 160 160 ASP CB C 13 41.347 0 . . . . . . . 160 ASP CB . 52984 1 594 . 1 . 1 160 160 ASP N N 15 124.78 0.035 . . . . . . . 160 ASP N . 52984 1 595 . 1 . 1 161 161 GLY H H 1 8.812 0.007 . . . . . . . 161 GLY H . 52984 1 596 . 1 . 1 161 161 GLY CA C 13 46.603 0.03 . . . . . . . 161 GLY CA . 52984 1 597 . 1 . 1 161 161 GLY N N 15 112.921 0.032 . . . . . . . 161 GLY N . 52984 1 598 . 1 . 1 162 162 LEU H H 1 7.389 0.003 . . . . . . . 162 LEU H . 52984 1 599 . 1 . 1 162 162 LEU HA H 1 4.22 0 . . . . . . . 162 LEU HA . 52984 1 600 . 1 . 1 162 162 LEU CA C 13 57.915 0.001 . . . . . . . 162 LEU CA . 52984 1 601 . 1 . 1 162 162 LEU CB C 13 40.436 0 . . . . . . . 162 LEU CB . 52984 1 602 . 1 . 1 162 162 LEU N N 15 117.68 0.034 . . . . . . . 162 LEU N . 52984 1 603 . 1 . 1 163 163 TYR H H 1 8.87 0.003 . . . . . . . 163 TYR H . 52984 1 604 . 1 . 1 163 163 TYR HA H 1 3.987 0 . . . . . . . 163 TYR HA . 52984 1 605 . 1 . 1 163 163 TYR CA C 13 61.403 0.039 . . . . . . . 163 TYR CA . 52984 1 606 . 1 . 1 163 163 TYR CB C 13 37.365 0 . . . . . . . 163 TYR CB . 52984 1 607 . 1 . 1 163 163 TYR N N 15 119.246 0.043 . . . . . . . 163 TYR N . 52984 1 608 . 1 . 1 164 164 GLU H H 1 10.313 0.003 . . . . . . . 164 GLU H . 52984 1 609 . 1 . 1 164 164 GLU HA H 1 4.766 0 . . . . . . . 164 GLU HA . 52984 1 610 . 1 . 1 164 164 GLU CA C 13 61.816 0.217 . . . . . . . 164 GLU CA . 52984 1 611 . 1 . 1 164 164 GLU CB C 13 28.094 0 . . . . . . . 164 GLU CB . 52984 1 612 . 1 . 1 164 164 GLU N N 15 124.808 0.027 . . . . . . . 164 GLU N . 52984 1 613 . 1 . 1 165 165 GLY H H 1 8.614 0.003 . . . . . . . 165 GLY H . 52984 1 614 . 1 . 1 165 165 GLY CA C 13 48.192 0.004 . . . . . . . 165 GLY CA . 52984 1 615 . 1 . 1 165 165 GLY N N 15 107.995 0.025 . . . . . . . 165 GLY N . 52984 1 616 . 1 . 1 166 166 LEU H H 1 8.408 0.004 . . . . . . . 166 LEU H . 52984 1 617 . 1 . 1 166 166 LEU HA H 1 4.147 0 . . . . . . . 166 LEU HA . 52984 1 618 . 1 . 1 166 166 LEU CA C 13 57.792 0.005 . . . . . . . 166 LEU CA . 52984 1 619 . 1 . 1 166 166 LEU CB C 13 41.364 0 . . . . . . . 166 LEU CB . 52984 1 620 . 1 . 1 166 166 LEU N N 15 120.565 0.026 . . . . . . . 166 LEU N . 52984 1 621 . 1 . 1 167 167 THR H H 1 8.506 0.005 . . . . . . . 167 THR H . 52984 1 622 . 1 . 1 167 167 THR HA H 1 3.758 0 . . . . . . . 167 THR HA . 52984 1 623 . 1 . 1 167 167 THR CA C 13 67.487 0.006 . . . . . . . 167 THR CA . 52984 1 624 . 1 . 1 167 167 THR CB C 13 68.275 0 . . . . . . . 167 THR CB . 52984 1 625 . 1 . 1 167 167 THR N N 15 118.461 0.061 . . . . . . . 167 THR N . 52984 1 626 . 1 . 1 168 168 TRP H H 1 7.682 0.003 . . . . . . . 168 TRP H . 52984 1 627 . 1 . 1 168 168 TRP HA H 1 3.801 0 . . . . . . . 168 TRP HA . 52984 1 628 . 1 . 1 168 168 TRP CA C 13 63.309 0.011 . . . . . . . 168 TRP CA . 52984 1 629 . 1 . 1 168 168 TRP CB C 13 27.688 0 . . . . . . . 168 TRP CB . 52984 1 630 . 1 . 1 168 168 TRP N N 15 124.276 0.041 . . . . . . . 168 TRP N . 52984 1 631 . 1 . 1 169 169 LEU H H 1 8.253 0.003 . . . . . . . 169 LEU H . 52984 1 632 . 1 . 1 169 169 LEU CA C 13 58.722 0.037 . . . . . . . 169 LEU CA . 52984 1 633 . 1 . 1 169 169 LEU CB C 13 43.443 0 . . . . . . . 169 LEU CB . 52984 1 634 . 1 . 1 169 169 LEU N N 15 120.293 0.027 . . . . . . . 169 LEU N . 52984 1 635 . 1 . 1 170 170 THR H H 1 8.188 0.005 . . . . . . . 170 THR H . 52984 1 636 . 1 . 1 170 170 THR HA H 1 3.918 0 . . . . . . . 170 THR HA . 52984 1 637 . 1 . 1 170 170 THR CA C 13 65.601 0 . . . . . . . 170 THR CA . 52984 1 638 . 1 . 1 170 170 THR N N 15 108.792 0.008 . . . . . . . 170 THR N . 52984 1 639 . 1 . 1 171 171 SER H H 1 7.79 0.005 . . . . . . . 171 SER H . 52984 1 640 . 1 . 1 171 171 SER HA H 1 4.309 0 . . . . . . . 171 SER HA . 52984 1 641 . 1 . 1 171 171 SER HB2 H 1 3.744 0 . . . . . . . 171 SER HB . 52984 1 642 . 1 . 1 171 171 SER HB3 H 1 3.744 0 . . . . . . . 171 SER HB . 52984 1 643 . 1 . 1 171 171 SER CA C 13 60.621 0.006 . . . . . . . 171 SER CA . 52984 1 644 . 1 . 1 171 171 SER CB C 13 63.454 0 . . . . . . . 171 SER CB . 52984 1 645 . 1 . 1 171 171 SER N N 15 115.513 0.037 . . . . . . . 171 SER N . 52984 1 646 . 1 . 1 172 172 ASN H H 1 7.002 0.004 . . . . . . . 172 ASN H . 52984 1 647 . 1 . 1 172 172 ASN HA H 1 4.423 0 . . . . . . . 172 ASN HA . 52984 1 648 . 1 . 1 172 172 ASN CA C 13 54.389 0.036 . . . . . . . 172 ASN CA . 52984 1 649 . 1 . 1 172 172 ASN CB C 13 40.425 0 . . . . . . . 172 ASN CB . 52984 1 650 . 1 . 1 172 172 ASN N N 15 116.232 0.032 . . . . . . . 172 ASN N . 52984 1 651 . 1 . 1 173 173 TYR H H 1 7.318 0.004 . . . . . . . 173 TYR H . 52984 1 652 . 1 . 1 173 173 TYR HA H 1 4.3 0 . . . . . . . 173 TYR HA . 52984 1 653 . 1 . 1 173 173 TYR CA C 13 58.473 0.041 . . . . . . . 173 TYR CA . 52984 1 654 . 1 . 1 173 173 TYR CB C 13 38.211 0 . . . . . . . 173 TYR CB . 52984 1 655 . 1 . 1 173 173 TYR N N 15 121.539 0.033 . . . . . . . 173 TYR N . 52984 1 656 . 1 . 1 174 174 LYS H H 1 8.536 0.006 . . . . . . . 174 LYS H . 52984 1 657 . 1 . 1 174 174 LYS HA H 1 4.319 0 . . . . . . . 174 LYS HA . 52984 1 658 . 1 . 1 174 174 LYS CA C 13 56.147 0.031 . . . . . . . 174 LYS CA . 52984 1 659 . 1 . 1 174 174 LYS CB C 13 33.186 0 . . . . . . . 174 LYS CB . 52984 1 660 . 1 . 1 174 174 LYS N N 15 127.244 0.029 . . . . . . . 174 LYS N . 52984 1 661 . 1 . 1 175 175 SER H H 1 7.836 0.002 . . . . . . . 175 SER H . 52984 1 662 . 1 . 1 175 175 SER HA H 1 4.258 0 . . . . . . . 175 SER HA . 52984 1 663 . 1 . 1 175 175 SER CA C 13 60.124 0.05 . . . . . . . 175 SER CA . 52984 1 664 . 1 . 1 175 175 SER CB C 13 64.985 0 . . . . . . . 175 SER CB . 52984 1 665 . 1 . 1 175 175 SER N N 15 124.111 0.023 . . . . . . . 175 SER N . 52984 1 stop_ save_