################################### # 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 52622 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name WT _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 'Best TROSY' . . . 52622 1 4 '3D HNCA' . . . 52622 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 . . 52622 1 2 $software_2 . . 52622 1 3 $software_3 . . 52622 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 5 5 ALA C C 13 177.653 0.000 . 1 . . . . . 18 ALA C . 52622 1 2 . 1 . 1 5 5 ALA CA C 13 53.223 0.000 . 1 . . . . . 18 ALA CA . 52622 1 3 . 1 . 1 6 6 ASP H H 1 8.466 0.001 . 1 . . . . . 19 ASP H . 52622 1 4 . 1 . 1 6 6 ASP C C 13 176.031 0.010 . 1 . . . . . 19 ASP C . 52622 1 5 . 1 . 1 6 6 ASP CA C 13 54.326 0.003 . 1 . . . . . 19 ASP CA . 52622 1 6 . 1 . 1 6 6 ASP N N 15 118.109 0.011 . 1 . . . . . 19 ASP N . 52622 1 7 . 1 . 1 7 7 ASP H H 1 8.110 0.001 . 1 . . . . . 20 ASP H . 52622 1 8 . 1 . 1 7 7 ASP C C 13 176.460 0.010 . 1 . . . . . 20 ASP C . 52622 1 9 . 1 . 1 7 7 ASP CA C 13 54.477 0.025 . 1 . . . . . 20 ASP CA . 52622 1 10 . 1 . 1 7 7 ASP N N 15 120.497 0.008 . 1 . . . . . 20 ASP N . 52622 1 11 . 1 . 1 8 8 THR H H 1 8.132 0.001 . 1 . . . . . 21 THR H . 52622 1 12 . 1 . 1 8 8 THR C C 13 174.196 0.000 . 1 . . . . . 21 THR C . 52622 1 13 . 1 . 1 8 8 THR CA C 13 62.290 0.003 . 1 . . . . . 21 THR CA . 52622 1 14 . 1 . 1 8 8 THR N N 15 114.429 0.008 . 1 . . . . . 21 THR N . 52622 1 15 . 1 . 1 9 9 ARG H H 1 8.183 0.001 . 1 . . . . . 22 ARG H . 52622 1 16 . 1 . 1 9 9 ARG C C 13 175.781 0.007 . 1 . . . . . 22 ARG C . 52622 1 17 . 1 . 1 9 9 ARG CA C 13 55.726 0.007 . 1 . . . . . 22 ARG CA . 52622 1 18 . 1 . 1 9 9 ARG N N 15 123.897 0.012 . 1 . . . . . 22 ARG N . 52622 1 19 . 1 . 1 10 10 VAL H H 1 8.438 0.001 . 1 . . . . . 23 VAL H . 52622 1 20 . 1 . 1 10 10 VAL C C 13 175.609 0.017 . 1 . . . . . 23 VAL C . 52622 1 21 . 1 . 1 10 10 VAL CA C 13 61.624 0.009 . 1 . . . . . 23 VAL CA . 52622 1 22 . 1 . 1 10 10 VAL N N 15 122.671 0.010 . 1 . . . . . 23 VAL N . 52622 1 23 . 1 . 1 11 11 GLU H H 1 8.437 0.018 . 1 . . . . . 24 GLU H . 52622 1 24 . 1 . 1 11 11 GLU C C 13 176.014 0.008 . 1 . . . . . 24 GLU C . 52622 1 25 . 1 . 1 11 11 GLU CA C 13 56.483 0.042 . 1 . . . . . 24 GLU CA . 52622 1 26 . 1 . 1 11 11 GLU N N 15 124.806 0.176 . 1 . . . . . 24 GLU N . 52622 1 27 . 1 . 1 12 12 VAL H H 1 8.202 0.016 . 1 . . . . . 25 VAL H . 52622 1 28 . 1 . 1 12 12 VAL C C 13 175.902 0.011 . 1 . . . . . 25 VAL C . 52622 1 29 . 1 . 1 12 12 VAL CA C 13 61.159 0.059 . 1 . . . . . 25 VAL CA . 52622 1 30 . 1 . 1 12 12 VAL N N 15 121.770 0.299 . 1 . . . . . 25 VAL N . 52622 1 31 . 1 . 1 13 13 GLN H H 1 8.559 0.000 . 1 . . . . . 26 GLN H . 52622 1 32 . 1 . 1 13 13 GLN C C 13 173.267 0.000 . 1 . . . . . 26 GLN C . 52622 1 33 . 1 . 1 13 13 GLN CA C 13 53.706 0.000 . 1 . . . . . 26 GLN CA . 52622 1 34 . 1 . 1 13 13 GLN N N 15 125.718 0.005 . 1 . . . . . 26 GLN N . 52622 1 35 . 1 . 1 19 19 VAL C C 13 176.649 0.000 . 1 . . . . . 32 VAL C . 52622 1 36 . 1 . 1 19 19 VAL CA C 13 65.490 0.000 . 1 . . . . . 32 VAL CA . 52622 1 37 . 1 . 1 20 20 LEU H H 1 6.707 0.002 . 1 . . . . . 33 LEU H . 52622 1 38 . 1 . 1 20 20 LEU CA C 13 57.470 0.004 . 1 . . . . . 33 LEU CA . 52622 1 39 . 1 . 1 20 20 LEU N N 15 118.006 0.012 . 1 . . . . . 33 LEU N . 52622 1 40 . 1 . 1 21 21 ASP H H 1 8.666 0.001 . 1 . . . . . 34 ASP H . 52622 1 41 . 1 . 1 21 21 ASP N N 15 118.704 0.011 . 1 . . . . . 34 ASP N . 52622 1 42 . 1 . 1 22 22 LEU H H 1 7.462 0.000 . 1 . . . . . 35 LEU H . 52622 1 43 . 1 . 1 22 22 LEU CA C 13 57.793 0.000 . 1 . . . . . 35 LEU CA . 52622 1 44 . 1 . 1 22 22 LEU N N 15 119.982 0.011 . 1 . . . . . 35 LEU N . 52622 1 45 . 1 . 1 24 24 GLU C C 13 177.995 0.000 . 1 . . . . . 37 GLU C . 52622 1 46 . 1 . 1 24 24 GLU CA C 13 60.214 0.000 . 1 . . . . . 37 GLU CA . 52622 1 47 . 1 . 1 25 25 ALA H H 1 7.711 0.000 . 1 . . . . . 38 ALA H . 52622 1 48 . 1 . 1 25 25 ALA C C 13 177.122 0.000 . 1 . . . . . 38 ALA C . 52622 1 49 . 1 . 1 25 25 ALA CA C 13 51.696 0.000 . 1 . . . . . 38 ALA CA . 52622 1 50 . 1 . 1 25 25 ALA N N 15 116.755 0.012 . 1 . . . . . 38 ALA N . 52622 1 51 . 1 . 1 26 26 SER H H 1 7.138 0.000 . 1 . . . . . 39 SER H . 52622 1 52 . 1 . 1 26 26 SER CA C 13 55.347 0.000 . 1 . . . . . 39 SER CA . 52622 1 53 . 1 . 1 26 26 SER N N 15 113.577 0.005 . 1 . . . . . 39 SER N . 52622 1 54 . 1 . 1 28 28 ILE C C 13 176.583 0.000 . 1 . . . . . 41 ILE C . 52622 1 55 . 1 . 1 28 28 ILE CA C 13 59.652 0.000 . 1 . . . . . 41 ILE CA . 52622 1 56 . 1 . 1 29 29 ALA H H 1 8.776 0.001 . 1 . . . . . 42 ALA H . 52622 1 57 . 1 . 1 29 29 ALA C C 13 175.507 0.000 . 1 . . . . . 42 ALA C . 52622 1 58 . 1 . 1 29 29 ALA CA C 13 54.195 0.021 . 1 . . . . . 42 ALA CA . 52622 1 59 . 1 . 1 29 29 ALA N N 15 132.706 0.009 . 1 . . . . . 42 ALA N . 52622 1 60 . 1 . 1 30 30 SER H H 1 8.405 0.002 . 1 . . . . . 43 SER H . 52622 1 61 . 1 . 1 30 30 SER C C 13 171.402 0.000 . 1 . . . . . 43 SER C . 52622 1 62 . 1 . 1 30 30 SER CA C 13 58.009 0.007 . 1 . . . . . 43 SER CA . 52622 1 63 . 1 . 1 30 30 SER N N 15 117.388 0.013 . 1 . . . . . 43 SER N . 52622 1 64 . 1 . 1 31 31 VAL H H 1 9.356 0.001 . 1 . . . . . 44 VAL H . 52622 1 65 . 1 . 1 31 31 VAL CA C 13 58.109 0.000 . 1 . . . . . 44 VAL CA . 52622 1 66 . 1 . 1 31 31 VAL N N 15 113.408 0.005 . 1 . . . . . 44 VAL N . 52622 1 67 . 1 . 1 32 32 VAL C C 13 174.861 0.000 . 1 . . . . . 45 VAL C . 52622 1 68 . 1 . 1 32 32 VAL CA C 13 60.300 0.000 . 1 . . . . . 45 VAL CA . 52622 1 69 . 1 . 1 33 33 SER H H 1 10.089 0.002 . 1 . . . . . 46 SER H . 52622 1 70 . 1 . 1 33 33 SER CA C 13 57.704 0.000 . 1 . . . . . 46 SER CA . 52622 1 71 . 1 . 1 33 33 SER N N 15 125.688 0.014 . 1 . . . . . 46 SER N . 52622 1 72 . 1 . 1 34 34 ASP H H 1 7.503 0.005 . 1 . . . . . 47 ASP H . 52622 1 73 . 1 . 1 34 34 ASP CA C 13 49.335 0.000 . 1 . . . . . 47 ASP CA . 52622 1 74 . 1 . 1 34 34 ASP N N 15 117.721 0.054 . 1 . . . . . 47 ASP N . 52622 1 75 . 1 . 1 35 35 PRO C C 13 178.770 0.000 . 1 . . . . . 48 PRO C . 52622 1 76 . 1 . 1 35 35 PRO CA C 13 63.663 0.000 . 1 . . . . . 48 PRO CA . 52622 1 77 . 1 . 1 36 36 ARG H H 1 8.870 0.001 . 1 . . . . . 49 ARG H . 52622 1 78 . 1 . 1 36 36 ARG C C 13 177.485 0.000 . 1 . . . . . 49 ARG C . 52622 1 79 . 1 . 1 36 36 ARG CA C 13 57.624 0.026 . 1 . . . . . 49 ARG CA . 52622 1 80 . 1 . 1 36 36 ARG N N 15 121.393 0.006 . 1 . . . . . 49 ARG N . 52622 1 81 . 1 . 1 37 37 LEU H H 1 7.432 0.001 . 1 . . . . . 50 LEU H . 52622 1 82 . 1 . 1 37 37 LEU C C 13 176.803 0.000 . 1 . . . . . 50 LEU C . 52622 1 83 . 1 . 1 37 37 LEU CA C 13 53.175 0.015 . 1 . . . . . 50 LEU CA . 52622 1 84 . 1 . 1 37 37 LEU N N 15 121.419 0.009 . 1 . . . . . 50 LEU N . 52622 1 85 . 1 . 1 38 38 ALA H H 1 8.302 0.000 . 1 . . . . . 51 ALA H . 52622 1 86 . 1 . 1 38 38 ALA C C 13 178.018 0.024 . 1 . . . . . 51 ALA C . 52622 1 87 . 1 . 1 38 38 ALA CA C 13 53.786 0.014 . 1 . . . . . 51 ALA CA . 52622 1 88 . 1 . 1 38 38 ALA N N 15 124.431 0.005 . 1 . . . . . 51 ALA N . 52622 1 89 . 1 . 1 39 39 ASP H H 1 8.792 0.001 . 1 . . . . . 52 ASP H . 52622 1 90 . 1 . 1 39 39 ASP CA C 13 54.713 0.000 . 1 . . . . . 52 ASP CA . 52622 1 91 . 1 . 1 39 39 ASP N N 15 118.491 0.009 . 1 . . . . . 52 ASP N . 52622 1 92 . 1 . 1 41 41 PRO C C 13 176.394 0.000 . 1 . . . . . 54 PRO C . 52622 1 93 . 1 . 1 41 41 PRO CA C 13 61.976 0.000 . 1 . . . . . 54 PRO CA . 52622 1 94 . 1 . 1 42 42 LEU H H 1 7.786 0.001 . 1 . . . . . 55 LEU H . 52622 1 95 . 1 . 1 42 42 LEU C C 13 178.334 0.000 . 1 . . . . . 55 LEU C . 52622 1 96 . 1 . 1 42 42 LEU CA C 13 55.032 0.024 . 1 . . . . . 55 LEU CA . 52622 1 97 . 1 . 1 42 42 LEU N N 15 115.022 0.010 . 1 . . . . . 55 LEU N . 52622 1 98 . 1 . 1 43 43 ILE H H 1 9.534 0.006 . 1 . . . . . 56 ILE H . 52622 1 99 . 1 . 1 43 43 ILE C C 13 175.238 0.000 . 1 . . . . . 56 ILE C . 52622 1 100 . 1 . 1 43 43 ILE CA C 13 60.581 0.006 . 1 . . . . . 56 ILE CA . 52622 1 101 . 1 . 1 43 43 ILE N N 15 113.440 0.020 . 1 . . . . . 56 ILE N . 52622 1 102 . 1 . 1 44 44 ALA H H 1 7.497 0.000 . 1 . . . . . 57 ALA H . 52622 1 103 . 1 . 1 44 44 ALA C C 13 174.811 0.000 . 1 . . . . . 57 ALA C . 52622 1 104 . 1 . 1 44 44 ALA CA C 13 52.424 0.007 . 1 . . . . . 57 ALA CA . 52622 1 105 . 1 . 1 44 44 ALA N N 15 121.374 0.009 . 1 . . . . . 57 ALA N . 52622 1 106 . 1 . 1 45 45 ILE H H 1 8.416 0.001 . 1 . . . . . 58 ILE H . 52622 1 107 . 1 . 1 45 45 ILE C C 13 174.544 0.000 . 1 . . . . . 58 ILE C . 52622 1 108 . 1 . 1 45 45 ILE CA C 13 59.612 0.016 . 1 . . . . . 58 ILE CA . 52622 1 109 . 1 . 1 45 45 ILE N N 15 112.452 0.011 . 1 . . . . . 58 ILE N . 52622 1 110 . 1 . 1 46 46 ASN H H 1 7.902 0.001 . 1 . . . . . 59 ASN H . 52622 1 111 . 1 . 1 46 46 ASN C C 13 175.450 0.000 . 1 . . . . . 59 ASN C . 52622 1 112 . 1 . 1 46 46 ASN CA C 13 49.643 0.027 . 1 . . . . . 59 ASN CA . 52622 1 113 . 1 . 1 46 46 ASN N N 15 118.414 0.009 . 1 . . . . . 59 ASN N . 52622 1 114 . 1 . 1 47 47 GLN H H 1 8.930 0.002 . 1 . . . . . 60 GLN H . 52622 1 115 . 1 . 1 47 47 GLN C C 13 178.156 0.000 . 1 . . . . . 60 GLN C . 52622 1 116 . 1 . 1 47 47 GLN CA C 13 58.427 0.019 . 1 . . . . . 60 GLN CA . 52622 1 117 . 1 . 1 47 47 GLN N N 15 120.172 0.011 . 1 . . . . . 60 GLN N . 52622 1 118 . 1 . 1 48 48 ALA H H 1 8.081 0.000 . 1 . . . . . 61 ALA H . 52622 1 119 . 1 . 1 48 48 ALA C C 13 180.346 0.000 . 1 . . . . . 61 ALA C . 52622 1 120 . 1 . 1 48 48 ALA CA C 13 54.869 0.012 . 1 . . . . . 61 ALA CA . 52622 1 121 . 1 . 1 48 48 ALA N N 15 119.462 0.010 . 1 . . . . . 61 ALA N . 52622 1 122 . 1 . 1 49 49 PHE H H 1 8.427 0.001 . 1 . . . . . 62 PHE H . 52622 1 123 . 1 . 1 49 49 PHE C C 13 178.867 0.000 . 1 . . . . . 62 PHE C . 52622 1 124 . 1 . 1 49 49 PHE CA C 13 63.291 0.008 . 1 . . . . . 62 PHE CA . 52622 1 125 . 1 . 1 49 49 PHE N N 15 122.392 0.052 . 1 . . . . . 62 PHE N . 52622 1 126 . 1 . 1 50 50 THR H H 1 7.759 0.001 . 1 . . . . . 63 THR H . 52622 1 127 . 1 . 1 50 50 THR C C 13 177.230 0.000 . 1 . . . . . 63 THR C . 52622 1 128 . 1 . 1 50 50 THR CA C 13 66.619 0.006 . 1 . . . . . 63 THR CA . 52622 1 129 . 1 . 1 50 50 THR N N 15 124.069 0.009 . 1 . . . . . 63 THR N . 52622 1 130 . 1 . 1 51 51 ASP H H 1 8.847 0.001 . 1 . . . . . 64 ASP H . 52622 1 131 . 1 . 1 51 51 ASP C C 13 177.418 0.000 . 1 . . . . . 64 ASP C . 52622 1 132 . 1 . 1 51 51 ASP CA C 13 57.519 0.016 . 1 . . . . . 64 ASP CA . 52622 1 133 . 1 . 1 51 51 ASP N N 15 123.517 0.004 . 1 . . . . . 64 ASP N . 52622 1 134 . 1 . 1 52 52 LEU H H 1 7.748 0.001 . 1 . . . . . 65 LEU H . 52622 1 135 . 1 . 1 52 52 LEU C C 13 177.265 0.000 . 1 . . . . . 65 LEU C . 52622 1 136 . 1 . 1 52 52 LEU CA C 13 57.583 0.014 . 1 . . . . . 65 LEU CA . 52622 1 137 . 1 . 1 52 52 LEU N N 15 117.762 0.008 . 1 . . . . . 65 LEU N . 52622 1 138 . 1 . 1 53 53 THR H H 1 7.794 0.001 . 1 . . . . . 66 THR H . 52622 1 139 . 1 . 1 53 53 THR C C 13 174.840 0.000 . 1 . . . . . 66 THR C . 52622 1 140 . 1 . 1 53 53 THR CA C 13 63.647 0.014 . 1 . . . . . 66 THR CA . 52622 1 141 . 1 . 1 53 53 THR N N 15 102.774 0.012 . 1 . . . . . 66 THR N . 52622 1 142 . 1 . 1 54 54 GLY H H 1 8.508 0.001 . 1 . . . . . 67 GLY H . 52622 1 143 . 1 . 1 54 54 GLY C C 13 174.013 0.000 . 1 . . . . . 67 GLY C . 52622 1 144 . 1 . 1 54 54 GLY CA C 13 45.160 0.000 . 1 . . . . . 67 GLY CA . 52622 1 145 . 1 . 1 54 54 GLY N N 15 111.444 0.009 . 1 . . . . . 67 GLY N . 52622 1 146 . 1 . 1 55 55 TYR H H 1 7.610 0.000 . 1 . . . . . 68 TYR H . 52622 1 147 . 1 . 1 55 55 TYR C C 13 175.287 0.000 . 1 . . . . . 68 TYR C . 52622 1 148 . 1 . 1 55 55 TYR CA C 13 58.964 0.001 . 1 . . . . . 68 TYR CA . 52622 1 149 . 1 . 1 55 55 TYR N N 15 118.799 0.006 . 1 . . . . . 68 TYR N . 52622 1 150 . 1 . 1 56 56 SER H H 1 9.349 0.001 . 1 . . . . . 69 SER H . 52622 1 151 . 1 . 1 56 56 SER C C 13 175.669 0.000 . 1 . . . . . 69 SER C . 52622 1 152 . 1 . 1 56 56 SER CA C 13 57.211 0.012 . 1 . . . . . 69 SER CA . 52622 1 153 . 1 . 1 56 56 SER N N 15 119.490 0.011 . 1 . . . . . 69 SER N . 52622 1 154 . 1 . 1 57 57 GLU H H 1 9.307 0.001 . 1 . . . . . 70 GLU H . 52622 1 155 . 1 . 1 57 57 GLU C C 13 178.598 0.000 . 1 . . . . . 70 GLU C . 52622 1 156 . 1 . 1 57 57 GLU CA C 13 61.267 0.000 . 1 . . . . . 70 GLU CA . 52622 1 157 . 1 . 1 57 57 GLU N N 15 123.563 0.009 . 1 . . . . . 70 GLU N . 52622 1 158 . 1 . 1 58 58 GLU H H 1 9.085 0.001 . 1 . . . . . 71 GLU H . 52622 1 159 . 1 . 1 58 58 GLU C C 13 177.977 0.011 . 1 . . . . . 71 GLU C . 52622 1 160 . 1 . 1 58 58 GLU CA C 13 59.075 0.000 . 1 . . . . . 71 GLU CA . 52622 1 161 . 1 . 1 58 58 GLU N N 15 117.640 0.009 . 1 . . . . . 71 GLU N . 52622 1 162 . 1 . 1 59 59 GLU H H 1 7.462 0.001 . 1 . . . . . 72 GLU H . 52622 1 163 . 1 . 1 59 59 GLU C C 13 176.155 0.013 . 1 . . . . . 72 GLU C . 52622 1 164 . 1 . 1 59 59 GLU CA C 13 56.912 0.029 . 1 . . . . . 72 GLU CA . 52622 1 165 . 1 . 1 59 59 GLU N N 15 116.366 0.009 . 1 . . . . . 72 GLU N . 52622 1 166 . 1 . 1 60 60 CYS H H 1 7.509 0.001 . 1 . . . . . 73 CYS H . 52622 1 167 . 1 . 1 60 60 CYS C C 13 173.662 0.018 . 1 . . . . . 73 CYS C . 52622 1 168 . 1 . 1 60 60 CYS CA C 13 60.184 0.005 . 1 . . . . . 73 CYS CA . 52622 1 169 . 1 . 1 60 60 CYS N N 15 114.746 0.007 . 1 . . . . . 73 CYS N . 52622 1 170 . 1 . 1 61 61 VAL H H 1 7.916 0.001 . 1 . . . . . 74 VAL H . 52622 1 171 . 1 . 1 61 61 VAL C C 13 177.615 0.014 . 1 . . . . . 74 VAL C . 52622 1 172 . 1 . 1 61 61 VAL CA C 13 65.290 0.000 . 1 . . . . . 74 VAL CA . 52622 1 173 . 1 . 1 61 61 VAL N N 15 117.888 0.006 . 1 . . . . . 74 VAL N . 52622 1 174 . 1 . 1 62 62 GLY H H 1 9.417 0.002 . 1 . . . . . 75 GLY H . 52622 1 175 . 1 . 1 62 62 GLY C C 13 173.622 0.000 . 1 . . . . . 75 GLY C . 52622 1 176 . 1 . 1 62 62 GLY CA C 13 45.178 0.001 . 1 . . . . . 75 GLY CA . 52622 1 177 . 1 . 1 62 62 GLY N N 15 113.312 0.041 . 1 . . . . . 75 GLY N . 52622 1 178 . 1 . 1 63 63 ARG H H 1 8.106 0.002 . 1 . . . . . 76 ARG H . 52622 1 179 . 1 . 1 63 63 ARG C C 13 175.773 0.018 . 1 . . . . . 76 ARG C . 52622 1 180 . 1 . 1 63 63 ARG CA C 13 54.366 0.026 . 1 . . . . . 76 ARG CA . 52622 1 181 . 1 . 1 63 63 ARG N N 15 118.440 0.010 . 1 . . . . . 76 ARG N . 52622 1 182 . 1 . 1 64 64 ASN H H 1 9.154 0.001 . 1 . . . . . 77 ASN H . 52622 1 183 . 1 . 1 64 64 ASN C C 13 176.052 0.000 . 1 . . . . . 77 ASN C . 52622 1 184 . 1 . 1 64 64 ASN CA C 13 54.822 0.021 . 1 . . . . . 77 ASN CA . 52622 1 185 . 1 . 1 64 64 ASN N N 15 122.400 0.022 . 1 . . . . . 77 ASN N . 52622 1 186 . 1 . 1 65 65 CYS H H 1 8.179 0.005 . 1 . . . . . 78 CYS H . 52622 1 187 . 1 . 1 65 65 CYS C C 13 174.780 0.000 . 1 . . . . . 78 CYS C . 52622 1 188 . 1 . 1 65 65 CYS CA C 13 60.189 0.015 . 1 . . . . . 78 CYS CA . 52622 1 189 . 1 . 1 65 65 CYS N N 15 123.380 0.013 . 1 . . . . . 78 CYS N . 52622 1 190 . 1 . 1 66 66 ARG H H 1 8.495 0.001 . 1 . . . . . 79 ARG H . 52622 1 191 . 1 . 1 66 66 ARG C C 13 176.319 0.028 . 1 . . . . . 79 ARG C . 52622 1 192 . 1 . 1 66 66 ARG CA C 13 58.094 0.000 . 1 . . . . . 79 ARG CA . 52622 1 193 . 1 . 1 66 66 ARG N N 15 120.056 0.013 . 1 . . . . . 79 ARG N . 52622 1 194 . 1 . 1 67 67 PHE H H 1 6.843 0.001 . 1 . . . . . 80 PHE H . 52622 1 195 . 1 . 1 67 67 PHE C C 13 176.187 0.000 . 1 . . . . . 80 PHE C . 52622 1 196 . 1 . 1 67 67 PHE CA C 13 58.757 0.003 . 1 . . . . . 80 PHE CA . 52622 1 197 . 1 . 1 67 67 PHE N N 15 117.243 0.009 . 1 . . . . . 80 PHE N . 52622 1 198 . 1 . 1 68 68 LEU H H 1 6.805 0.001 . 1 . . . . . 81 LEU H . 52622 1 199 . 1 . 1 68 68 LEU CA C 13 56.216 0.014 . 1 . . . . . 81 LEU CA . 52622 1 200 . 1 . 1 68 68 LEU N N 15 120.688 0.007 . 1 . . . . . 81 LEU N . 52622 1 201 . 1 . 1 69 69 ALA H H 1 7.823 0.001 . 1 . . . . . 82 ALA H . 52622 1 202 . 1 . 1 69 69 ALA C C 13 177.013 0.000 . 1 . . . . . 82 ALA C . 52622 1 203 . 1 . 1 69 69 ALA CA C 13 51.516 0.029 . 1 . . . . . 82 ALA CA . 52622 1 204 . 1 . 1 69 69 ALA N N 15 120.763 0.012 . 1 . . . . . 82 ALA N . 52622 1 205 . 1 . 1 70 70 GLY H H 1 8.925 0.001 . 1 . . . . . 83 GLY H . 52622 1 206 . 1 . 1 70 70 GLY CA C 13 45.839 0.000 . 1 . . . . . 83 GLY CA . 52622 1 207 . 1 . 1 70 70 GLY N N 15 106.457 0.004 . 1 . . . . . 83 GLY N . 52622 1 208 . 1 . 1 71 71 SER C C 13 176.443 0.000 . 1 . . . . . 84 SER C . 52622 1 209 . 1 . 1 71 71 SER CA C 13 61.983 0.000 . 1 . . . . . 84 SER CA . 52622 1 210 . 1 . 1 72 72 GLY H H 1 8.508 0.001 . 1 . . . . . 85 GLY H . 52622 1 211 . 1 . 1 72 72 GLY C C 13 173.904 0.000 . 1 . . . . . 85 GLY C . 52622 1 212 . 1 . 1 72 72 GLY CA C 13 44.958 0.000 . 1 . . . . . 85 GLY CA . 52622 1 213 . 1 . 1 72 72 GLY N N 15 108.307 0.012 . 1 . . . . . 85 GLY N . 52622 1 214 . 1 . 1 73 73 THR H H 1 7.744 0.000 . 1 . . . . . 86 THR H . 52622 1 215 . 1 . 1 73 73 THR C C 13 175.192 0.000 . 1 . . . . . 86 THR C . 52622 1 216 . 1 . 1 73 73 THR CA C 13 65.127 0.013 . 1 . . . . . 86 THR CA . 52622 1 217 . 1 . 1 73 73 THR N N 15 119.337 0.009 . 1 . . . . . 86 THR N . 52622 1 218 . 1 . 1 74 74 GLU H H 1 10.702 0.002 . 1 . . . . . 87 GLU H . 52622 1 219 . 1 . 1 74 74 GLU CA C 13 56.515 0.000 . 1 . . . . . 87 GLU CA . 52622 1 220 . 1 . 1 74 74 GLU N N 15 134.901 0.011 . 1 . . . . . 87 GLU N . 52622 1 221 . 1 . 1 75 75 PRO C C 13 178.202 0.000 . 1 . . . . . 88 PRO C . 52622 1 222 . 1 . 1 75 75 PRO CA C 13 65.252 0.000 . 1 . . . . . 88 PRO CA . 52622 1 223 . 1 . 1 76 76 TRP H H 1 7.055 0.001 . 1 . . . . . 89 TRP H . 52622 1 224 . 1 . 1 76 76 TRP C C 13 177.598 0.032 . 1 . . . . . 89 TRP C . 52622 1 225 . 1 . 1 76 76 TRP CA C 13 59.687 0.013 . 1 . . . . . 89 TRP CA . 52622 1 226 . 1 . 1 76 76 TRP N N 15 112.620 0.013 . 1 . . . . . 89 TRP N . 52622 1 227 . 1 . 1 77 77 LEU H H 1 6.496 0.001 . 1 . . . . . 90 LEU H . 52622 1 228 . 1 . 1 77 77 LEU CA C 13 56.692 0.000 . 1 . . . . . 90 LEU CA . 52622 1 229 . 1 . 1 77 77 LEU N N 15 122.499 0.010 . 1 . . . . . 90 LEU N . 52622 1 230 . 1 . 1 78 78 THR C C 13 177.044 0.000 . 1 . . . . . 91 THR C . 52622 1 231 . 1 . 1 78 78 THR CA C 13 67.399 0.000 . 1 . . . . . 91 THR CA . 52622 1 232 . 1 . 1 79 79 ASP H H 1 8.291 0.000 . 1 . . . . . 92 ASP H . 52622 1 233 . 1 . 1 79 79 ASP C C 13 178.282 0.010 . 1 . . . . . 92 ASP C . 52622 1 234 . 1 . 1 79 79 ASP CA C 13 57.618 0.020 . 1 . . . . . 92 ASP CA . 52622 1 235 . 1 . 1 79 79 ASP N N 15 118.185 0.007 . 1 . . . . . 92 ASP N . 52622 1 236 . 1 . 1 80 80 LYS H H 1 7.120 0.001 . 1 . . . . . 93 LYS H . 52622 1 237 . 1 . 1 80 80 LYS C C 13 179.775 0.004 . 1 . . . . . 93 LYS C . 52622 1 238 . 1 . 1 80 80 LYS CA C 13 59.539 0.002 . 1 . . . . . 93 LYS CA . 52622 1 239 . 1 . 1 80 80 LYS N N 15 118.412 0.016 . 1 . . . . . 93 LYS N . 52622 1 240 . 1 . 1 81 81 ILE H H 1 7.503 0.001 . 1 . . . . . 94 ILE H . 52622 1 241 . 1 . 1 81 81 ILE C C 13 177.125 0.000 . 1 . . . . . 94 ILE C . 52622 1 242 . 1 . 1 81 81 ILE CA C 13 66.213 0.000 . 1 . . . . . 94 ILE CA . 52622 1 243 . 1 . 1 81 81 ILE N N 15 120.872 0.008 . 1 . . . . . 94 ILE N . 52622 1 244 . 1 . 1 82 82 ARG H H 1 8.531 0.001 . 1 . . . . . 95 ARG H . 52622 1 245 . 1 . 1 82 82 ARG C C 13 179.574 0.000 . 1 . . . . . 95 ARG C . 52622 1 246 . 1 . 1 82 82 ARG CA C 13 60.369 0.013 . 1 . . . . . 95 ARG CA . 52622 1 247 . 1 . 1 82 82 ARG N N 15 118.846 0.012 . 1 . . . . . 95 ARG N . 52622 1 248 . 1 . 1 83 83 GLN H H 1 8.333 0.001 . 1 . . . . . 96 GLN H . 52622 1 249 . 1 . 1 83 83 GLN C C 13 177.654 0.000 . 1 . . . . . 96 GLN C . 52622 1 250 . 1 . 1 83 83 GLN CA C 13 58.848 0.002 . 1 . . . . . 96 GLN CA . 52622 1 251 . 1 . 1 83 83 GLN N N 15 117.855 0.008 . 1 . . . . . 96 GLN N . 52622 1 252 . 1 . 1 84 84 GLY H H 1 8.049 0.001 . 1 . . . . . 97 GLY H . 52622 1 253 . 1 . 1 84 84 GLY C C 13 176.716 0.000 . 1 . . . . . 97 GLY C . 52622 1 254 . 1 . 1 84 84 GLY CA C 13 47.952 0.000 . 1 . . . . . 97 GLY CA . 52622 1 255 . 1 . 1 84 84 GLY N N 15 109.476 0.010 . 1 . . . . . 97 GLY N . 52622 1 256 . 1 . 1 85 85 VAL H H 1 8.088 0.000 . 1 . . . . . 98 VAL H . 52622 1 257 . 1 . 1 85 85 VAL C C 13 179.058 0.000 . 1 . . . . . 98 VAL C . 52622 1 258 . 1 . 1 85 85 VAL CA C 13 65.125 0.003 . 1 . . . . . 98 VAL CA . 52622 1 259 . 1 . 1 85 85 VAL N N 15 121.899 0.011 . 1 . . . . . 98 VAL N . 52622 1 260 . 1 . 1 86 86 ARG H H 1 7.995 0.000 . 1 . . . . . 99 ARG H . 52622 1 261 . 1 . 1 86 86 ARG C C 13 178.723 0.000 . 1 . . . . . 99 ARG C . 52622 1 262 . 1 . 1 86 86 ARG CA C 13 59.472 0.008 . 1 . . . . . 99 ARG CA . 52622 1 263 . 1 . 1 86 86 ARG N N 15 120.049 0.013 . 1 . . . . . 99 ARG N . 52622 1 264 . 1 . 1 87 87 GLU H H 1 8.502 0.001 . 1 . . . . . 100 GLU H . 52622 1 265 . 1 . 1 87 87 GLU C C 13 175.917 0.000 . 1 . . . . . 100 GLU C . 52622 1 266 . 1 . 1 87 87 GLU CA C 13 56.326 0.004 . 1 . . . . . 100 GLU CA . 52622 1 267 . 1 . 1 87 87 GLU N N 15 114.338 0.009 . 1 . . . . . 100 GLU N . 52622 1 268 . 1 . 1 88 88 HIS H H 1 8.122 0.001 . 1 . . . . . 101 HIS H . 52622 1 269 . 1 . 1 88 88 HIS C C 13 172.654 0.000 . 1 . . . . . 101 HIS C . 52622 1 270 . 1 . 1 88 88 HIS CA C 13 55.405 0.011 . 1 . . . . . 101 HIS CA . 52622 1 271 . 1 . 1 88 88 HIS N N 15 115.566 0.013 . 1 . . . . . 101 HIS N . 52622 1 272 . 1 . 1 89 89 LYS H H 1 9.117 0.002 . 1 . . . . . 102 LYS H . 52622 1 273 . 1 . 1 89 89 LYS CA C 13 53.106 0.000 . 1 . . . . . 102 LYS CA . 52622 1 274 . 1 . 1 89 89 LYS N N 15 120.148 0.009 . 1 . . . . . 102 LYS N . 52622 1 275 . 1 . 1 90 90 PRO C C 13 176.843 0.000 . 1 . . . . . 103 PRO C . 52622 1 276 . 1 . 1 90 90 PRO CA C 13 62.394 0.000 . 1 . . . . . 103 PRO CA . 52622 1 277 . 1 . 1 91 91 VAL H H 1 8.875 0.001 . 1 . . . . . 104 VAL H . 52622 1 278 . 1 . 1 91 91 VAL C C 13 171.588 0.000 . 1 . . . . . 104 VAL C . 52622 1 279 . 1 . 1 91 91 VAL CA C 13 60.388 0.010 . 1 . . . . . 104 VAL CA . 52622 1 280 . 1 . 1 91 91 VAL N N 15 120.711 0.004 . 1 . . . . . 104 VAL N . 52622 1 281 . 1 . 1 92 92 LEU H H 1 8.155 0.001 . 1 . . . . . 105 LEU H . 52622 1 282 . 1 . 1 92 92 LEU C C 13 176.855 0.000 . 1 . . . . . 105 LEU C . 52622 1 283 . 1 . 1 92 92 LEU CA C 13 53.815 0.001 . 1 . . . . . 105 LEU CA . 52622 1 284 . 1 . 1 92 92 LEU N N 15 128.187 0.010 . 1 . . . . . 105 LEU N . 52622 1 285 . 1 . 1 93 93 VAL H H 1 8.670 0.001 . 1 . . . . . 106 VAL H . 52622 1 286 . 1 . 1 93 93 VAL C C 13 173.079 0.000 . 1 . . . . . 106 VAL C . 52622 1 287 . 1 . 1 93 93 VAL CA C 13 58.461 0.010 . 1 . . . . . 106 VAL CA . 52622 1 288 . 1 . 1 93 93 VAL N N 15 119.231 0.010 . 1 . . . . . 106 VAL N . 52622 1 289 . 1 . 1 94 94 GLU H H 1 8.300 0.001 . 1 . . . . . 107 GLU H . 52622 1 290 . 1 . 1 94 94 GLU C C 13 174.653 0.000 . 1 . . . . . 107 GLU C . 52622 1 291 . 1 . 1 94 94 GLU CA C 13 54.917 0.007 . 1 . . . . . 107 GLU CA . 52622 1 292 . 1 . 1 94 94 GLU N N 15 120.501 0.016 . 1 . . . . . 107 GLU N . 52622 1 293 . 1 . 1 95 95 ILE H H 1 9.001 0.001 . 1 . . . . . 108 ILE H . 52622 1 294 . 1 . 1 95 95 ILE C C 13 172.304 0.000 . 1 . . . . . 108 ILE C . 52622 1 295 . 1 . 1 95 95 ILE CA C 13 59.312 0.007 . 1 . . . . . 108 ILE CA . 52622 1 296 . 1 . 1 95 95 ILE N N 15 126.730 0.010 . 1 . . . . . 108 ILE N . 52622 1 297 . 1 . 1 96 96 LEU H H 1 9.763 0.002 . 1 . . . . . 109 LEU H . 52622 1 298 . 1 . 1 96 96 LEU C C 13 176.376 0.000 . 1 . . . . . 109 LEU C . 52622 1 299 . 1 . 1 96 96 LEU CA C 13 56.025 0.000 . 1 . . . . . 109 LEU CA . 52622 1 300 . 1 . 1 96 96 LEU N N 15 131.973 0.006 . 1 . . . . . 109 LEU N . 52622 1 301 . 1 . 1 97 97 ASN H H 1 9.013 0.001 . 1 . . . . . 110 ASN H . 52622 1 302 . 1 . 1 97 97 ASN C C 13 170.536 0.000 . 1 . . . . . 110 ASN C . 52622 1 303 . 1 . 1 97 97 ASN CA C 13 50.751 0.000 . 1 . . . . . 110 ASN CA . 52622 1 304 . 1 . 1 97 97 ASN N N 15 134.127 0.015 . 1 . . . . . 110 ASN N . 52622 1 305 . 1 . 1 98 98 TYR H H 1 8.984 0.002 . 1 . . . . . 111 TYR H . 52622 1 306 . 1 . 1 98 98 TYR C C 13 177.116 0.000 . 1 . . . . . 111 TYR C . 52622 1 307 . 1 . 1 98 98 TYR CA C 13 57.878 0.003 . 1 . . . . . 111 TYR CA . 52622 1 308 . 1 . 1 98 98 TYR N N 15 115.251 0.007 . 1 . . . . . 111 TYR N . 52622 1 309 . 1 . 1 99 99 LYS H H 1 8.994 0.001 . 1 . . . . . 112 LYS H . 52622 1 310 . 1 . 1 99 99 LYS C C 13 176.901 0.000 . 1 . . . . . 112 LYS C . 52622 1 311 . 1 . 1 99 99 LYS CA C 13 56.661 0.009 . 1 . . . . . 112 LYS CA . 52622 1 312 . 1 . 1 99 99 LYS N N 15 123.057 0.010 . 1 . . . . . 112 LYS N . 52622 1 313 . 1 . 1 100 100 LYS H H 1 8.663 0.001 . 1 . . . . . 113 LYS H . 52622 1 314 . 1 . 1 100 100 LYS C C 13 177.341 0.000 . 1 . . . . . 113 LYS C . 52622 1 315 . 1 . 1 100 100 LYS CA C 13 59.847 0.002 . 1 . . . . . 113 LYS CA . 52622 1 316 . 1 . 1 100 100 LYS N N 15 123.295 0.009 . 1 . . . . . 113 LYS N . 52622 1 317 . 1 . 1 101 101 ASP H H 1 7.926 0.001 . 1 . . . . . 114 ASP H . 52622 1 318 . 1 . 1 101 101 ASP C C 13 176.878 0.015 . 1 . . . . . 114 ASP C . 52622 1 319 . 1 . 1 101 101 ASP CA C 13 53.492 0.006 . 1 . . . . . 114 ASP CA . 52622 1 320 . 1 . 1 101 101 ASP N N 15 114.451 0.006 . 1 . . . . . 114 ASP N . 52622 1 321 . 1 . 1 102 102 GLY H H 1 8.327 0.001 . 1 . . . . . 115 GLY H . 52622 1 322 . 1 . 1 102 102 GLY C C 13 174.917 0.000 . 1 . . . . . 115 GLY C . 52622 1 323 . 1 . 1 102 102 GLY CA C 13 44.814 0.003 . 1 . . . . . 115 GLY CA . 52622 1 324 . 1 . 1 102 102 GLY N N 15 108.919 0.014 . 1 . . . . . 115 GLY N . 52622 1 325 . 1 . 1 103 103 THR H H 1 8.224 0.003 . 1 . . . . . 116 THR H . 52622 1 326 . 1 . 1 103 103 THR CA C 13 62.441 0.000 . 1 . . . . . 116 THR CA . 52622 1 327 . 1 . 1 103 103 THR N N 15 119.267 0.028 . 1 . . . . . 116 THR N . 52622 1 328 . 1 . 1 104 104 PRO C C 13 176.980 0.000 . 1 . . . . . 117 PRO C . 52622 1 329 . 1 . 1 104 104 PRO CA C 13 61.296 0.000 . 1 . . . . . 117 PRO CA . 52622 1 330 . 1 . 1 105 105 PHE H H 1 9.253 0.001 . 1 . . . . . 118 PHE H . 52622 1 331 . 1 . 1 105 105 PHE C C 13 171.289 0.000 . 1 . . . . . 118 PHE C . 52622 1 332 . 1 . 1 105 105 PHE CA C 13 55.836 0.026 . 1 . . . . . 118 PHE CA . 52622 1 333 . 1 . 1 105 105 PHE N N 15 119.946 0.007 . 1 . . . . . 118 PHE N . 52622 1 334 . 1 . 1 106 106 ARG H H 1 9.176 0.001 . 1 . . . . . 119 ARG H . 52622 1 335 . 1 . 1 106 106 ARG C C 13 172.729 0.000 . 1 . . . . . 119 ARG C . 52622 1 336 . 1 . 1 106 106 ARG CA C 13 54.389 0.014 . 1 . . . . . 119 ARG CA . 52622 1 337 . 1 . 1 106 106 ARG N N 15 125.210 0.009 . 1 . . . . . 119 ARG N . 52622 1 338 . 1 . 1 107 107 ASN H H 1 8.930 0.001 . 1 . . . . . 120 ASN H . 52622 1 339 . 1 . 1 107 107 ASN C C 13 175.219 0.000 . 1 . . . . . 120 ASN C . 52622 1 340 . 1 . 1 107 107 ASN CA C 13 50.751 0.017 . 1 . . . . . 120 ASN CA . 52622 1 341 . 1 . 1 107 107 ASN N N 15 128.926 0.019 . 1 . . . . . 120 ASN N . 52622 1 342 . 1 . 1 108 108 ALA H H 1 9.487 0.001 . 1 . . . . . 121 ALA H . 52622 1 343 . 1 . 1 108 108 ALA C C 13 174.992 0.000 . 1 . . . . . 121 ALA C . 52622 1 344 . 1 . 1 108 108 ALA CA C 13 50.924 0.022 . 1 . . . . . 121 ALA CA . 52622 1 345 . 1 . 1 108 108 ALA N N 15 129.230 0.010 . 1 . . . . . 121 ALA N . 52622 1 346 . 1 . 1 109 109 VAL H H 1 9.045 0.001 . 1 . . . . . 122 VAL H . 52622 1 347 . 1 . 1 109 109 VAL C C 13 172.831 0.000 . 1 . . . . . 122 VAL C . 52622 1 348 . 1 . 1 109 109 VAL CA C 13 58.936 0.000 . 1 . . . . . 122 VAL CA . 52622 1 349 . 1 . 1 109 109 VAL N N 15 130.623 0.006 . 1 . . . . . 122 VAL N . 52622 1 350 . 1 . 1 110 110 LEU H H 1 8.685 0.002 . 1 . . . . . 123 LEU H . 52622 1 351 . 1 . 1 110 110 LEU C C 13 176.009 0.000 . 1 . . . . . 123 LEU C . 52622 1 352 . 1 . 1 110 110 LEU CA C 13 52.115 0.013 . 1 . . . . . 123 LEU CA . 52622 1 353 . 1 . 1 110 110 LEU N N 15 128.260 0.010 . 1 . . . . . 123 LEU N . 52622 1 354 . 1 . 1 111 111 VAL H H 1 8.762 0.001 . 1 . . . . . 124 VAL H . 52622 1 355 . 1 . 1 111 111 VAL C C 13 175.768 0.000 . 1 . . . . . 124 VAL C . 52622 1 356 . 1 . 1 111 111 VAL CA C 13 61.984 0.007 . 1 . . . . . 124 VAL CA . 52622 1 357 . 1 . 1 111 111 VAL N N 15 124.614 0.010 . 1 . . . . . 124 VAL N . 52622 1 358 . 1 . 1 112 112 ALA H H 1 9.770 0.001 . 1 . . . . . 125 ALA H . 52622 1 359 . 1 . 1 112 112 ALA CA C 13 49.347 0.000 . 1 . . . . . 125 ALA CA . 52622 1 360 . 1 . 1 112 112 ALA N N 15 129.122 0.016 . 1 . . . . . 125 ALA N . 52622 1 361 . 1 . 1 123 123 TYR C C 13 173.229 0.000 . 1 . . . . . 136 TYR C . 52622 1 362 . 1 . 1 123 123 TYR CA C 13 56.989 0.000 . 1 . . . . . 136 TYR CA . 52622 1 363 . 1 . 1 124 124 PHE H H 1 7.883 0.000 . 1 . . . . . 137 PHE H . 52622 1 364 . 1 . 1 124 124 PHE C C 13 173.679 0.000 . 1 . . . . . 137 PHE C . 52622 1 365 . 1 . 1 124 124 PHE CA C 13 58.399 0.015 . 1 . . . . . 137 PHE CA . 52622 1 366 . 1 . 1 124 124 PHE N N 15 113.235 0.016 . 1 . . . . . 137 PHE N . 52622 1 367 . 1 . 1 125 125 LEU H H 1 9.357 0.002 . 1 . . . . . 138 LEU H . 52622 1 368 . 1 . 1 125 125 LEU C C 13 175.184 0.000 . 1 . . . . . 138 LEU C . 52622 1 369 . 1 . 1 125 125 LEU CA C 13 52.920 0.034 . 1 . . . . . 138 LEU CA . 52622 1 370 . 1 . 1 125 125 LEU N N 15 124.764 0.011 . 1 . . . . . 138 LEU N . 52622 1 371 . 1 . 1 126 126 GLY H H 1 9.260 0.002 . 1 . . . . . 139 GLY H . 52622 1 372 . 1 . 1 126 126 GLY C C 13 172.084 0.000 . 1 . . . . . 139 GLY C . 52622 1 373 . 1 . 1 126 126 GLY CA C 13 44.061 0.004 . 1 . . . . . 139 GLY CA . 52622 1 374 . 1 . 1 126 126 GLY N N 15 113.347 0.013 . 1 . . . . . 139 GLY N . 52622 1 375 . 1 . 1 127 127 SER H H 1 9.254 0.001 . 1 . . . . . 140 SER H . 52622 1 376 . 1 . 1 127 127 SER C C 13 174.542 0.000 . 1 . . . . . 140 SER C . 52622 1 377 . 1 . 1 127 127 SER CA C 13 56.339 0.009 . 1 . . . . . 140 SER CA . 52622 1 378 . 1 . 1 127 127 SER N N 15 116.573 0.014 . 1 . . . . . 140 SER N . 52622 1 379 . 1 . 1 128 128 GLN H H 1 8.656 0.001 . 1 . . . . . 141 GLN H . 52622 1 380 . 1 . 1 128 128 GLN C C 13 173.826 0.000 . 1 . . . . . 141 GLN C . 52622 1 381 . 1 . 1 128 128 GLN CA C 13 58.137 0.003 . 1 . . . . . 141 GLN CA . 52622 1 382 . 1 . 1 128 128 GLN N N 15 124.185 0.009 . 1 . . . . . 141 GLN N . 52622 1 383 . 1 . 1 129 129 VAL H H 1 7.629 0.001 . 1 . . . . . 142 VAL H . 52622 1 384 . 1 . 1 129 129 VAL C C 13 174.485 0.000 . 1 . . . . . 142 VAL C . 52622 1 385 . 1 . 1 129 129 VAL CA C 13 61.216 0.010 . 1 . . . . . 142 VAL CA . 52622 1 386 . 1 . 1 129 129 VAL N N 15 121.609 0.007 . 1 . . . . . 142 VAL N . 52622 1 387 . 1 . 1 130 130 GLU H H 1 8.732 0.001 . 1 . . . . . 143 GLU H . 52622 1 388 . 1 . 1 130 130 GLU C C 13 175.830 0.000 . 1 . . . . . 143 GLU C . 52622 1 389 . 1 . 1 130 130 GLU CA C 13 56.598 0.002 . 1 . . . . . 143 GLU CA . 52622 1 390 . 1 . 1 130 130 GLU N N 15 127.789 0.009 . 1 . . . . . 143 GLU N . 52622 1 391 . 1 . 1 131 131 VAL H H 1 8.839 0.001 . 1 . . . . . 144 VAL H . 52622 1 392 . 1 . 1 131 131 VAL C C 13 174.833 0.000 . 1 . . . . . 144 VAL C . 52622 1 393 . 1 . 1 131 131 VAL CA C 13 60.776 0.012 . 1 . . . . . 144 VAL CA . 52622 1 394 . 1 . 1 131 131 VAL N N 15 126.175 0.011 . 1 . . . . . 144 VAL N . 52622 1 395 . 1 . 1 132 132 ASP H H 1 8.052 0.001 . 1 . . . . . 145 ASP H . 52622 1 396 . 1 . 1 132 132 ASP C C 13 176.652 0.000 . 1 . . . . . 145 ASP C . 52622 1 397 . 1 . 1 132 132 ASP CA C 13 54.230 0.007 . 1 . . . . . 145 ASP CA . 52622 1 398 . 1 . 1 132 132 ASP N N 15 125.545 0.013 . 1 . . . . . 145 ASP N . 52622 1 399 . 1 . 1 133 133 ASP H H 1 8.792 0.001 . 1 . . . . . 146 ASP H . 52622 1 400 . 1 . 1 133 133 ASP C C 13 176.755 0.000 . 1 . . . . . 146 ASP C . 52622 1 401 . 1 . 1 133 133 ASP CA C 13 55.973 0.000 . 1 . . . . . 146 ASP CA . 52622 1 402 . 1 . 1 133 133 ASP N N 15 123.769 0.010 . 1 . . . . . 146 ASP N . 52622 1 403 . 1 . 1 134 134 ASP H H 1 8.511 0.001 . 1 . . . . . 147 ASP H . 52622 1 404 . 1 . 1 134 134 ASP C C 13 176.012 0.015 . 1 . . . . . 147 ASP C . 52622 1 405 . 1 . 1 134 134 ASP CA C 13 54.708 0.016 . 1 . . . . . 147 ASP CA . 52622 1 406 . 1 . 1 134 134 ASP N N 15 117.376 0.014 . 1 . . . . . 147 ASP N . 52622 1 407 . 1 . 1 135 135 GLN H H 1 7.685 0.001 . 1 . . . . . 148 GLN H . 52622 1 408 . 1 . 1 135 135 GLN C C 13 173.738 0.000 . 1 . . . . . 148 GLN C . 52622 1 409 . 1 . 1 135 135 GLN CA C 13 53.500 0.000 . 1 . . . . . 148 GLN CA . 52622 1 410 . 1 . 1 135 135 GLN N N 15 118.584 0.008 . 1 . . . . . 148 GLN N . 52622 1 411 . 1 . 1 136 136 PRO C C 13 177.453 0.000 . 1 . . . . . 149 PRO C . 52622 1 412 . 1 . 1 136 136 PRO CA C 13 64.245 0.000 . 1 . . . . . 149 PRO CA . 52622 1 413 . 1 . 1 137 137 ASN H H 1 8.642 0.001 . 1 . . . . . 150 ASN H . 52622 1 414 . 1 . 1 137 137 ASN C C 13 176.329 0.024 . 1 . . . . . 150 ASN C . 52622 1 415 . 1 . 1 137 137 ASN CA C 13 53.768 0.000 . 1 . . . . . 150 ASN CA . 52622 1 416 . 1 . 1 137 137 ASN N N 15 116.153 0.009 . 1 . . . . . 150 ASN N . 52622 1 417 . 1 . 1 138 138 MET H H 1 8.232 0.001 . 1 . . . . . 151 MET H . 52622 1 418 . 1 . 1 138 138 MET C C 13 178.297 0.011 . 1 . . . . . 151 MET C . 52622 1 419 . 1 . 1 138 138 MET CA C 13 58.669 0.021 . 1 . . . . . 151 MET CA . 52622 1 420 . 1 . 1 138 138 MET N N 15 120.695 0.006 . 1 . . . . . 151 MET N . 52622 1 421 . 1 . 1 139 139 GLY H H 1 9.044 0.001 . 1 . . . . . 152 GLY H . 52622 1 422 . 1 . 1 139 139 GLY C C 13 176.876 0.006 . 1 . . . . . 152 GLY C . 52622 1 423 . 1 . 1 139 139 GLY CA C 13 47.014 0.000 . 1 . . . . . 152 GLY CA . 52622 1 424 . 1 . 1 139 139 GLY N N 15 109.365 0.011 . 1 . . . . . 152 GLY N . 52622 1 425 . 1 . 1 140 140 MET H H 1 7.956 0.001 . 1 . . . . . 153 MET H . 52622 1 426 . 1 . 1 140 140 MET C C 13 178.094 0.015 . 1 . . . . . 153 MET C . 52622 1 427 . 1 . 1 140 140 MET CA C 13 57.765 0.036 . 1 . . . . . 153 MET CA . 52622 1 428 . 1 . 1 140 140 MET N N 15 121.909 0.012 . 1 . . . . . 153 MET N . 52622 1 429 . 1 . 1 141 141 ALA H H 1 8.183 0.002 . 1 . . . . . 154 ALA H . 52622 1 430 . 1 . 1 141 141 ALA C C 13 180.900 0.000 . 1 . . . . . 154 ALA C . 52622 1 431 . 1 . 1 141 141 ALA CA C 13 55.043 0.000 . 1 . . . . . 154 ALA CA . 52622 1 432 . 1 . 1 141 141 ALA N N 15 123.286 0.058 . 1 . . . . . 154 ALA N . 52622 1 433 . 1 . 1 142 142 ARG C C 13 179.774 0.000 . 1 . . . . . 155 ARG C . 52622 1 434 . 1 . 1 142 142 ARG CA C 13 60.304 0.000 . 1 . . . . . 155 ARG CA . 52622 1 435 . 1 . 1 143 143 ARG H H 1 7.718 0.000 . 1 . . . . . 156 ARG H . 52622 1 436 . 1 . 1 143 143 ARG C C 13 178.124 0.000 . 1 . . . . . 156 ARG C . 52622 1 437 . 1 . 1 143 143 ARG CA C 13 59.918 0.014 . 1 . . . . . 156 ARG CA . 52622 1 438 . 1 . 1 143 143 ARG N N 15 120.824 0.006 . 1 . . . . . 156 ARG N . 52622 1 439 . 1 . 1 144 144 GLU H H 1 8.180 0.000 . 1 . . . . . 157 GLU H . 52622 1 440 . 1 . 1 144 144 GLU C C 13 179.415 0.000 . 1 . . . . . 157 GLU C . 52622 1 441 . 1 . 1 144 144 GLU CA C 13 59.408 0.001 . 1 . . . . . 157 GLU CA . 52622 1 442 . 1 . 1 144 144 GLU N N 15 119.473 0.012 . 1 . . . . . 157 GLU N . 52622 1 443 . 1 . 1 145 145 ARG H H 1 8.114 0.002 . 1 . . . . . 158 ARG H . 52622 1 444 . 1 . 1 145 145 ARG C C 13 178.594 0.000 . 1 . . . . . 158 ARG C . 52622 1 445 . 1 . 1 145 145 ARG CA C 13 58.972 0.009 . 1 . . . . . 158 ARG CA . 52622 1 446 . 1 . 1 145 145 ARG N N 15 119.568 0.023 . 1 . . . . . 158 ARG N . 52622 1 447 . 1 . 1 146 146 ALA H H 1 7.842 0.001 . 1 . . . . . 159 ALA H . 52622 1 448 . 1 . 1 146 146 ALA C C 13 178.927 0.000 . 1 . . . . . 159 ALA C . 52622 1 449 . 1 . 1 146 146 ALA CA C 13 55.553 0.005 . 1 . . . . . 159 ALA CA . 52622 1 450 . 1 . 1 146 146 ALA N N 15 122.344 0.003 . 1 . . . . . 159 ALA N . 52622 1 451 . 1 . 1 147 147 ALA H H 1 8.182 0.007 . 1 . . . . . 160 ALA H . 52622 1 452 . 1 . 1 147 147 ALA C C 13 180.825 0.000 . 1 . . . . . 160 ALA C . 52622 1 453 . 1 . 1 147 147 ALA CA C 13 55.478 0.048 . 1 . . . . . 160 ALA CA . 52622 1 454 . 1 . 1 147 147 ALA N N 15 118.562 0.010 . 1 . . . . . 160 ALA N . 52622 1 455 . 1 . 1 148 148 GLU H H 1 8.069 0.005 . 1 . . . . . 161 GLU H . 52622 1 456 . 1 . 1 148 148 GLU C C 13 179.880 0.000 . 1 . . . . . 161 GLU C . 52622 1 457 . 1 . 1 148 148 GLU CA C 13 59.242 0.003 . 1 . . . . . 161 GLU CA . 52622 1 458 . 1 . 1 148 148 GLU N N 15 117.811 0.060 . 1 . . . . . 161 GLU N . 52622 1 459 . 1 . 1 149 149 MET H H 1 8.076 0.001 . 1 . . . . . 162 MET H . 52622 1 460 . 1 . 1 149 149 MET C C 13 178.935 0.000 . 1 . . . . . 162 MET C . 52622 1 461 . 1 . 1 149 149 MET CA C 13 58.967 0.009 . 1 . . . . . 162 MET CA . 52622 1 462 . 1 . 1 149 149 MET N N 15 118.761 0.017 . 1 . . . . . 162 MET N . 52622 1 463 . 1 . 1 150 150 LEU H H 1 7.810 0.003 . 1 . . . . . 163 LEU H . 52622 1 464 . 1 . 1 150 150 LEU C C 13 178.645 0.004 . 1 . . . . . 163 LEU C . 52622 1 465 . 1 . 1 150 150 LEU CA C 13 56.948 0.024 . 1 . . . . . 163 LEU CA . 52622 1 466 . 1 . 1 150 150 LEU N N 15 117.395 0.013 . 1 . . . . . 163 LEU N . 52622 1 467 . 1 . 1 151 151 LYS H H 1 7.497 0.001 . 1 . . . . . 164 LYS H . 52622 1 468 . 1 . 1 151 151 LYS C C 13 177.185 0.002 . 1 . . . . . 164 LYS C . 52622 1 469 . 1 . 1 151 151 LYS CA C 13 58.719 0.003 . 1 . . . . . 164 LYS CA . 52622 1 470 . 1 . 1 151 151 LYS N N 15 117.731 0.025 . 1 . . . . . 164 LYS N . 52622 1 471 . 1 . 1 152 152 THR H H 1 7.364 0.001 . 1 . . . . . 165 THR H . 52622 1 472 . 1 . 1 152 152 THR C C 13 175.007 0.000 . 1 . . . . . 165 THR C . 52622 1 473 . 1 . 1 152 152 THR CA C 13 62.465 0.001 . 1 . . . . . 165 THR CA . 52622 1 474 . 1 . 1 152 152 THR N N 15 106.958 0.012 . 1 . . . . . 165 THR N . 52622 1 475 . 1 . 1 153 153 LEU H H 1 7.342 0.000 . 1 . . . . . 166 LEU H . 52622 1 476 . 1 . 1 153 153 LEU C C 13 177.007 0.004 . 1 . . . . . 166 LEU C . 52622 1 477 . 1 . 1 153 153 LEU CA C 13 54.510 0.008 . 1 . . . . . 166 LEU CA . 52622 1 478 . 1 . 1 153 153 LEU N N 15 120.892 0.006 . 1 . . . . . 166 LEU N . 52622 1 479 . 1 . 1 154 154 SER H H 1 8.427 0.000 . 1 . . . . . 167 SER H . 52622 1 480 . 1 . 1 154 154 SER CA C 13 56.535 0.000 . 1 . . . . . 167 SER CA . 52622 1 481 . 1 . 1 154 154 SER N N 15 118.598 0.018 . 1 . . . . . 167 SER N . 52622 1 482 . 1 . 1 155 155 PRO C C 13 179.628 0.000 . 1 . . . . . 168 PRO C . 52622 1 483 . 1 . 1 155 155 PRO CA C 13 66.583 0.000 . 1 . . . . . 168 PRO CA . 52622 1 484 . 1 . 1 156 156 ARG H H 1 8.348 0.001 . 1 . . . . . 169 ARG H . 52622 1 485 . 1 . 1 156 156 ARG C C 13 178.719 0.000 . 1 . . . . . 169 ARG C . 52622 1 486 . 1 . 1 156 156 ARG CA C 13 57.864 0.002 . 1 . . . . . 169 ARG CA . 52622 1 487 . 1 . 1 156 156 ARG N N 15 117.289 0.003 . 1 . . . . . 169 ARG N . 52622 1 488 . 1 . 1 157 157 GLN H H 1 7.528 0.005 . 1 . . . . . 170 GLN H . 52622 1 489 . 1 . 1 157 157 GLN C C 13 179.814 0.000 . 1 . . . . . 170 GLN C . 52622 1 490 . 1 . 1 157 157 GLN CA C 13 59.263 0.025 . 1 . . . . . 170 GLN CA . 52622 1 491 . 1 . 1 157 157 GLN N N 15 117.845 0.059 . 1 . . . . . 170 GLN N . 52622 1 492 . 1 . 1 158 158 LEU H H 1 8.940 0.000 . 1 . . . . . 171 LEU H . 52622 1 493 . 1 . 1 158 158 LEU C C 13 179.228 0.000 . 1 . . . . . 171 LEU C . 52622 1 494 . 1 . 1 158 158 LEU CA C 13 58.264 0.008 . 1 . . . . . 171 LEU CA . 52622 1 495 . 1 . 1 158 158 LEU N N 15 123.981 0.005 . 1 . . . . . 171 LEU N . 52622 1 496 . 1 . 1 159 159 GLU H H 1 8.245 0.002 . 1 . . . . . 172 GLU H . 52622 1 497 . 1 . 1 159 159 GLU C C 13 178.841 0.000 . 1 . . . . . 172 GLU C . 52622 1 498 . 1 . 1 159 159 GLU CA C 13 60.142 0.000 . 1 . . . . . 172 GLU CA . 52622 1 499 . 1 . 1 159 159 GLU N N 15 123.119 0.012 . 1 . . . . . 172 GLU N . 52622 1 500 . 1 . 1 160 160 VAL H H 1 7.953 0.001 . 1 . . . . . 173 VAL H . 52622 1 501 . 1 . 1 160 160 VAL C C 13 176.857 0.000 . 1 . . . . . 173 VAL C . 52622 1 502 . 1 . 1 160 160 VAL CA C 13 67.260 0.015 . 1 . . . . . 173 VAL CA . 52622 1 503 . 1 . 1 160 160 VAL N N 15 117.205 0.009 . 1 . . . . . 173 VAL N . 52622 1 504 . 1 . 1 161 161 THR H H 1 7.994 0.001 . 1 . . . . . 174 THR H . 52622 1 505 . 1 . 1 161 161 THR C C 13 175.135 0.000 . 1 . . . . . 174 THR C . 52622 1 506 . 1 . 1 161 161 THR CA C 13 68.857 0.008 . 1 . . . . . 174 THR CA . 52622 1 507 . 1 . 1 161 161 THR N N 15 115.876 0.011 . 1 . . . . . 174 THR N . 52622 1 508 . 1 . 1 162 162 THR H H 1 8.384 0.001 . 1 . . . . . 175 THR H . 52622 1 509 . 1 . 1 162 162 THR C C 13 175.960 0.000 . 1 . . . . . 175 THR C . 52622 1 510 . 1 . 1 162 162 THR CA C 13 67.679 0.017 . 1 . . . . . 175 THR CA . 52622 1 511 . 1 . 1 162 162 THR N N 15 116.376 0.007 . 1 . . . . . 175 THR N . 52622 1 512 . 1 . 1 163 163 LEU H H 1 7.600 0.001 . 1 . . . . . 176 LEU H . 52622 1 513 . 1 . 1 163 163 LEU C C 13 179.912 0.000 . 1 . . . . . 176 LEU C . 52622 1 514 . 1 . 1 163 163 LEU CA C 13 57.871 0.016 . 1 . . . . . 176 LEU CA . 52622 1 515 . 1 . 1 163 163 LEU N N 15 120.471 0.013 . 1 . . . . . 176 LEU N . 52622 1 516 . 1 . 1 164 164 VAL H H 1 8.661 0.001 . 1 . . . . . 177 VAL H . 52622 1 517 . 1 . 1 164 164 VAL C C 13 179.790 0.000 . 1 . . . . . 177 VAL C . 52622 1 518 . 1 . 1 164 164 VAL CA C 13 66.315 0.016 . 1 . . . . . 177 VAL CA . 52622 1 519 . 1 . 1 164 164 VAL N N 15 120.646 0.013 . 1 . . . . . 177 VAL N . 52622 1 520 . 1 . 1 165 165 ALA H H 1 8.450 0.001 . 1 . . . . . 178 ALA H . 52622 1 521 . 1 . 1 165 165 ALA C C 13 176.453 0.011 . 1 . . . . . 178 ALA C . 52622 1 522 . 1 . 1 165 165 ALA CA C 13 54.300 0.009 . 1 . . . . . 178 ALA CA . 52622 1 523 . 1 . 1 165 165 ALA N N 15 121.716 0.011 . 1 . . . . . 178 ALA N . 52622 1 524 . 1 . 1 166 166 SER H H 1 7.410 0.001 . 1 . . . . . 179 SER H . 52622 1 525 . 1 . 1 166 166 SER C C 13 174.213 0.000 . 1 . . . . . 179 SER C . 52622 1 526 . 1 . 1 166 166 SER CA C 13 59.888 0.001 . 1 . . . . . 179 SER CA . 52622 1 527 . 1 . 1 166 166 SER N N 15 109.021 0.008 . 1 . . . . . 179 SER N . 52622 1 528 . 1 . 1 167 167 GLY H H 1 8.094 0.001 . 1 . . . . . 180 GLY H . 52622 1 529 . 1 . 1 167 167 GLY C C 13 173.769 0.000 . 1 . . . . . 180 GLY C . 52622 1 530 . 1 . 1 167 167 GLY CA C 13 46.010 0.027 . 1 . . . . . 180 GLY CA . 52622 1 531 . 1 . 1 167 167 GLY N N 15 108.301 0.012 . 1 . . . . . 180 GLY N . 52622 1 532 . 1 . 1 168 168 LEU H H 1 6.937 0.002 . 1 . . . . . 181 LEU H . 52622 1 533 . 1 . 1 168 168 LEU C C 13 177.121 0.000 . 1 . . . . . 181 LEU C . 52622 1 534 . 1 . 1 168 168 LEU CA C 13 54.520 0.036 . 1 . . . . . 181 LEU CA . 52622 1 535 . 1 . 1 168 168 LEU N N 15 119.229 0.015 . 1 . . . . . 181 LEU N . 52622 1 536 . 1 . 1 169 169 ARG H H 1 8.475 0.001 . 1 . . . . . 182 ARG H . 52622 1 537 . 1 . 1 169 169 ARG CA C 13 55.956 0.000 . 1 . . . . . 182 ARG CA . 52622 1 538 . 1 . 1 169 169 ARG N N 15 119.458 0.006 . 1 . . . . . 182 ARG N . 52622 1 539 . 1 . 1 171 171 LYS C C 13 178.713 0.000 . 1 . . . . . 184 LYS C . 52622 1 540 . 1 . 1 171 171 LYS CA C 13 59.627 0.000 . 1 . . . . . 184 LYS CA . 52622 1 541 . 1 . 1 172 172 GLU H H 1 6.991 0.002 . 1 . . . . . 185 GLU H . 52622 1 542 . 1 . 1 172 172 GLU C C 13 178.665 0.000 . 1 . . . . . 185 GLU C . 52622 1 543 . 1 . 1 172 172 GLU CA C 13 58.301 0.001 . 1 . . . . . 185 GLU CA . 52622 1 544 . 1 . 1 172 172 GLU N N 15 120.669 0.013 . 1 . . . . . 185 GLU N . 52622 1 545 . 1 . 1 173 173 VAL H H 1 8.273 0.002 . 1 . . . . . 186 VAL H . 52622 1 546 . 1 . 1 173 173 VAL C C 13 177.207 0.041 . 1 . . . . . 186 VAL C . 52622 1 547 . 1 . 1 173 173 VAL CA C 13 67.318 0.008 . 1 . . . . . 186 VAL CA . 52622 1 548 . 1 . 1 173 173 VAL N N 15 122.201 0.014 . 1 . . . . . 186 VAL N . 52622 1 549 . 1 . 1 174 174 ALA H H 1 8.229 0.002 . 1 . . . . . 187 ALA H . 52622 1 550 . 1 . 1 174 174 ALA C C 13 179.019 0.012 . 1 . . . . . 187 ALA C . 52622 1 551 . 1 . 1 174 174 ALA CA C 13 55.871 0.022 . 1 . . . . . 187 ALA CA . 52622 1 552 . 1 . 1 174 174 ALA N N 15 119.211 0.058 . 1 . . . . . 187 ALA N . 52622 1 553 . 1 . 1 175 175 ALA H H 1 7.435 0.000 . 1 . . . . . 188 ALA H . 52622 1 554 . 1 . 1 175 175 ALA C C 13 180.877 0.008 . 1 . . . . . 188 ALA C . 52622 1 555 . 1 . 1 175 175 ALA CA C 13 54.908 0.004 . 1 . . . . . 188 ALA CA . 52622 1 556 . 1 . 1 175 175 ALA N N 15 118.791 0.008 . 1 . . . . . 188 ALA N . 52622 1 557 . 1 . 1 176 176 ARG H H 1 8.034 0.001 . 1 . . . . . 189 ARG H . 52622 1 558 . 1 . 1 176 176 ARG C C 13 178.343 0.000 . 1 . . . . . 189 ARG C . 52622 1 559 . 1 . 1 176 176 ARG CA C 13 58.391 0.010 . 1 . . . . . 189 ARG CA . 52622 1 560 . 1 . 1 176 176 ARG N N 15 117.272 0.007 . 1 . . . . . 189 ARG N . 52622 1 561 . 1 . 1 177 177 LEU H H 1 7.668 0.001 . 1 . . . . . 190 LEU H . 52622 1 562 . 1 . 1 177 177 LEU C C 13 176.987 0.000 . 1 . . . . . 190 LEU C . 52622 1 563 . 1 . 1 177 177 LEU CA C 13 54.336 0.000 . 1 . . . . . 190 LEU CA . 52622 1 564 . 1 . 1 177 177 LEU N N 15 114.546 0.012 . 1 . . . . . 190 LEU N . 52622 1 565 . 1 . 1 178 178 GLY H H 1 7.902 0.001 . 1 . . . . . 191 GLY H . 52622 1 566 . 1 . 1 178 178 GLY C C 13 174.572 0.000 . 1 . . . . . 191 GLY C . 52622 1 567 . 1 . 1 178 178 GLY CA C 13 46.780 0.006 . 1 . . . . . 191 GLY CA . 52622 1 568 . 1 . 1 178 178 GLY N N 15 110.077 0.010 . 1 . . . . . 191 GLY N . 52622 1 569 . 1 . 1 179 179 LEU H H 1 8.014 0.002 . 1 . . . . . 192 LEU H . 52622 1 570 . 1 . 1 179 179 LEU C C 13 175.609 0.000 . 1 . . . . . 192 LEU C . 52622 1 571 . 1 . 1 179 179 LEU CA C 13 52.188 0.002 . 1 . . . . . 192 LEU CA . 52622 1 572 . 1 . 1 179 179 LEU N N 15 118.545 0.011 . 1 . . . . . 192 LEU N . 52622 1 573 . 1 . 1 180 180 SER H H 1 8.339 0.001 . 1 . . . . . 193 SER H . 52622 1 574 . 1 . 1 180 180 SER C C 13 175.858 0.000 . 1 . . . . . 193 SER C . 52622 1 575 . 1 . 1 180 180 SER CA C 13 56.890 0.015 . 1 . . . . . 193 SER CA . 52622 1 576 . 1 . 1 180 180 SER N N 15 114.083 0.013 . 1 . . . . . 193 SER N . 52622 1 577 . 1 . 1 181 181 GLU H H 1 9.267 0.004 . 1 . . . . . 194 GLU H . 52622 1 578 . 1 . 1 181 181 GLU C C 13 178.542 0.000 . 1 . . . . . 194 GLU C . 52622 1 579 . 1 . 1 181 181 GLU CA C 13 61.016 0.017 . 1 . . . . . 194 GLU CA . 52622 1 580 . 1 . 1 181 181 GLU N N 15 122.996 0.034 . 1 . . . . . 194 GLU N . 52622 1 581 . 1 . 1 182 182 LYS H H 1 8.343 0.000 . 1 . . . . . 195 LYS H . 52622 1 582 . 1 . 1 182 182 LYS C C 13 179.125 0.000 . 1 . . . . . 195 LYS C . 52622 1 583 . 1 . 1 182 182 LYS CA C 13 59.653 0.000 . 1 . . . . . 195 LYS CA . 52622 1 584 . 1 . 1 182 182 LYS N N 15 118.468 0.003 . 1 . . . . . 195 LYS N . 52622 1 585 . 1 . 1 183 183 THR H H 1 7.987 0.000 . 1 . . . . . 196 THR H . 52622 1 586 . 1 . 1 183 183 THR C C 13 176.178 0.000 . 1 . . . . . 196 THR C . 52622 1 587 . 1 . 1 183 183 THR CA C 13 66.477 0.017 . 1 . . . . . 196 THR CA . 52622 1 588 . 1 . 1 183 183 THR N N 15 118.992 0.009 . 1 . . . . . 196 THR N . 52622 1 589 . 1 . 1 184 184 VAL H H 1 8.032 0.004 . 1 . . . . . 197 VAL H . 52622 1 590 . 1 . 1 184 184 VAL CA C 13 68.660 0.000 . 1 . . . . . 197 VAL CA . 52622 1 591 . 1 . 1 184 184 VAL N N 15 122.162 0.010 . 1 . . . . . 197 VAL N . 52622 1 592 . 1 . 1 185 185 LYS C C 13 179.287 0.000 . 1 . . . . . 198 LYS C . 52622 1 593 . 1 . 1 185 185 LYS CA C 13 60.572 0.000 . 1 . . . . . 198 LYS CA . 52622 1 594 . 1 . 1 186 186 MET H H 1 8.017 0.003 . 1 . . . . . 199 MET H . 52622 1 595 . 1 . 1 186 186 MET C C 13 179.308 0.000 . 1 . . . . . 199 MET C . 52622 1 596 . 1 . 1 186 186 MET CA C 13 58.786 0.000 . 1 . . . . . 199 MET CA . 52622 1 597 . 1 . 1 186 186 MET N N 15 121.307 0.015 . 1 . . . . . 199 MET N . 52622 1 598 . 1 . 1 187 187 HIS H H 1 8.345 0.001 . 1 . . . . . 200 HIS H . 52622 1 599 . 1 . 1 187 187 HIS C C 13 178.146 0.000 . 1 . . . . . 200 HIS C . 52622 1 600 . 1 . 1 187 187 HIS CA C 13 60.559 0.002 . 1 . . . . . 200 HIS CA . 52622 1 601 . 1 . 1 187 187 HIS N N 15 119.082 0.005 . 1 . . . . . 200 HIS N . 52622 1 602 . 1 . 1 188 188 ARG H H 1 8.603 0.002 . 1 . . . . . 201 ARG H . 52622 1 603 . 1 . 1 188 188 ARG C C 13 178.116 0.000 . 1 . . . . . 201 ARG C . 52622 1 604 . 1 . 1 188 188 ARG CA C 13 60.704 0.015 . 1 . . . . . 201 ARG CA . 52622 1 605 . 1 . 1 188 188 ARG N N 15 118.300 0.014 . 1 . . . . . 201 ARG N . 52622 1 606 . 1 . 1 189 189 GLY H H 1 8.099 0.001 . 1 . . . . . 202 GLY H . 52622 1 607 . 1 . 1 189 189 GLY C C 13 176.850 0.000 . 1 . . . . . 202 GLY C . 52622 1 608 . 1 . 1 189 189 GLY CA C 13 47.346 0.009 . 1 . . . . . 202 GLY CA . 52622 1 609 . 1 . 1 189 189 GLY N N 15 105.350 0.012 . 1 . . . . . 202 GLY N . 52622 1 610 . 1 . 1 190 190 LEU H H 1 8.097 0.000 . 1 . . . . . 203 LEU H . 52622 1 611 . 1 . 1 190 190 LEU C C 13 180.350 0.000 . 1 . . . . . 203 LEU C . 52622 1 612 . 1 . 1 190 190 LEU CA C 13 57.931 0.014 . 1 . . . . . 203 LEU CA . 52622 1 613 . 1 . 1 190 190 LEU N N 15 123.189 0.009 . 1 . . . . . 203 LEU N . 52622 1 614 . 1 . 1 191 191 VAL H H 1 8.364 0.002 . 1 . . . . . 204 VAL H . 52622 1 615 . 1 . 1 191 191 VAL C C 13 177.301 0.000 . 1 . . . . . 204 VAL C . 52622 1 616 . 1 . 1 191 191 VAL CA C 13 67.656 0.014 . 1 . . . . . 204 VAL CA . 52622 1 617 . 1 . 1 191 191 VAL N N 15 121.456 0.004 . 1 . . . . . 204 VAL N . 52622 1 618 . 1 . 1 192 192 MET H H 1 7.849 0.001 . 1 . . . . . 205 MET H . 52622 1 619 . 1 . 1 192 192 MET C C 13 178.310 0.000 . 1 . . . . . 205 MET C . 52622 1 620 . 1 . 1 192 192 MET CA C 13 59.468 0.012 . 1 . . . . . 205 MET CA . 52622 1 621 . 1 . 1 192 192 MET N N 15 116.412 0.010 . 1 . . . . . 205 MET N . 52622 1 622 . 1 . 1 193 193 GLU H H 1 7.897 0.001 . 1 . . . . . 206 GLU H . 52622 1 623 . 1 . 1 193 193 GLU C C 13 179.994 0.000 . 1 . . . . . 206 GLU C . 52622 1 624 . 1 . 1 193 193 GLU CA C 13 59.283 0.009 . 1 . . . . . 206 GLU CA . 52622 1 625 . 1 . 1 193 193 GLU N N 15 117.601 0.006 . 1 . . . . . 206 GLU N . 52622 1 626 . 1 . 1 194 194 LYS H H 1 8.417 0.001 . 1 . . . . . 207 LYS H . 52622 1 627 . 1 . 1 194 194 LYS C C 13 178.321 0.014 . 1 . . . . . 207 LYS C . 52622 1 628 . 1 . 1 194 194 LYS CA C 13 58.878 0.002 . 1 . . . . . 207 LYS CA . 52622 1 629 . 1 . 1 194 194 LYS N N 15 121.067 0.014 . 1 . . . . . 207 LYS N . 52622 1 630 . 1 . 1 195 195 LEU H H 1 7.868 0.001 . 1 . . . . . 208 LEU H . 52622 1 631 . 1 . 1 195 195 LEU C C 13 174.989 0.000 . 1 . . . . . 208 LEU C . 52622 1 632 . 1 . 1 195 195 LEU CA C 13 54.183 0.000 . 1 . . . . . 208 LEU CA . 52622 1 633 . 1 . 1 195 195 LEU N N 15 114.965 0.011 . 1 . . . . . 208 LEU N . 52622 1 634 . 1 . 1 196 196 ASN H H 1 7.816 0.002 . 1 . . . . . 209 ASN H . 52622 1 635 . 1 . 1 196 196 ASN C C 13 174.145 0.000 . 1 . . . . . 209 ASN C . 52622 1 636 . 1 . 1 196 196 ASN CA C 13 54.216 0.000 . 1 . . . . . 209 ASN CA . 52622 1 637 . 1 . 1 196 196 ASN N N 15 117.125 0.048 . 1 . . . . . 209 ASN N . 52622 1 638 . 1 . 1 197 197 LEU H H 1 8.426 0.001 . 1 . . . . . 210 LEU H . 52622 1 639 . 1 . 1 197 197 LEU C C 13 177.427 0.000 . 1 . . . . . 210 LEU C . 52622 1 640 . 1 . 1 197 197 LEU CA C 13 53.221 0.014 . 1 . . . . . 210 LEU CA . 52622 1 641 . 1 . 1 197 197 LEU N N 15 116.722 0.003 . 1 . . . . . 210 LEU N . 52622 1 642 . 1 . 1 198 198 LYS H H 1 9.127 0.001 . 1 . . . . . 211 LYS H . 52622 1 643 . 1 . 1 198 198 LYS C C 13 176.770 0.000 . 1 . . . . . 211 LYS C . 52622 1 644 . 1 . 1 198 198 LYS CA C 13 56.456 0.024 . 1 . . . . . 211 LYS CA . 52622 1 645 . 1 . 1 198 198 LYS N N 15 119.216 0.009 . 1 . . . . . 211 LYS N . 52622 1 646 . 1 . 1 199 199 THR H H 1 7.668 0.001 . 1 . . . . . 212 THR H . 52622 1 647 . 1 . 1 199 199 THR C C 13 175.327 0.000 . 1 . . . . . 212 THR C . 52622 1 648 . 1 . 1 199 199 THR CA C 13 58.395 0.016 . 1 . . . . . 212 THR CA . 52622 1 649 . 1 . 1 199 199 THR N N 15 108.299 0.022 . 1 . . . . . 212 THR N . 52622 1 650 . 1 . 1 200 200 SER H H 1 9.443 0.001 . 1 . . . . . 213 SER H . 52622 1 651 . 1 . 1 200 200 SER C C 13 176.008 0.000 . 1 . . . . . 213 SER C . 52622 1 652 . 1 . 1 200 200 SER CA C 13 61.328 0.031 . 1 . . . . . 213 SER CA . 52622 1 653 . 1 . 1 200 200 SER N N 15 121.091 0.015 . 1 . . . . . 213 SER N . 52622 1 654 . 1 . 1 201 201 ALA H H 1 7.866 0.001 . 1 . . . . . 214 ALA H . 52622 1 655 . 1 . 1 201 201 ALA C C 13 179.714 0.000 . 1 . . . . . 214 ALA C . 52622 1 656 . 1 . 1 201 201 ALA CA C 13 55.253 0.011 . 1 . . . . . 214 ALA CA . 52622 1 657 . 1 . 1 201 201 ALA N N 15 124.586 0.006 . 1 . . . . . 214 ALA N . 52622 1 658 . 1 . 1 202 202 ASP H H 1 7.385 0.001 . 1 . . . . . 215 ASP H . 52622 1 659 . 1 . 1 202 202 ASP C C 13 178.321 0.000 . 1 . . . . . 215 ASP C . 52622 1 660 . 1 . 1 202 202 ASP CA C 13 56.886 0.013 . 1 . . . . . 215 ASP CA . 52622 1 661 . 1 . 1 202 202 ASP N N 15 118.041 0.006 . 1 . . . . . 215 ASP N . 52622 1 662 . 1 . 1 203 203 LEU H H 1 7.000 0.001 . 1 . . . . . 216 LEU H . 52622 1 663 . 1 . 1 203 203 LEU C C 13 176.893 0.000 . 1 . . . . . 216 LEU C . 52622 1 664 . 1 . 1 203 203 LEU CA C 13 57.593 0.000 . 1 . . . . . 216 LEU CA . 52622 1 665 . 1 . 1 203 203 LEU N N 15 121.126 0.010 . 1 . . . . . 216 LEU N . 52622 1 666 . 1 . 1 204 204 VAL H H 1 7.860 0.001 . 1 . . . . . 217 VAL H . 52622 1 667 . 1 . 1 204 204 VAL C C 13 177.013 0.000 . 1 . . . . . 217 VAL C . 52622 1 668 . 1 . 1 204 204 VAL CA C 13 67.244 0.020 . 1 . . . . . 217 VAL CA . 52622 1 669 . 1 . 1 204 204 VAL N N 15 117.254 0.001 . 1 . . . . . 217 VAL N . 52622 1 670 . 1 . 1 205 205 ARG H H 1 7.230 0.001 . 1 . . . . . 218 ARG H . 52622 1 671 . 1 . 1 205 205 ARG C C 13 177.416 0.000 . 1 . . . . . 218 ARG C . 52622 1 672 . 1 . 1 205 205 ARG CA C 13 60.434 0.002 . 1 . . . . . 218 ARG CA . 52622 1 673 . 1 . 1 205 205 ARG N N 15 115.286 0.012 . 1 . . . . . 218 ARG N . 52622 1 674 . 1 . 1 206 206 ILE H H 1 7.643 0.001 . 1 . . . . . 219 ILE H . 52622 1 675 . 1 . 1 206 206 ILE C C 13 176.952 0.000 . 1 . . . . . 219 ILE C . 52622 1 676 . 1 . 1 206 206 ILE CA C 13 64.195 0.014 . 1 . . . . . 219 ILE CA . 52622 1 677 . 1 . 1 206 206 ILE N N 15 117.545 0.011 . 1 . . . . . 219 ILE N . 52622 1 678 . 1 . 1 207 207 ALA H H 1 7.851 0.001 . 1 . . . . . 220 ALA H . 52622 1 679 . 1 . 1 207 207 ALA C C 13 178.798 0.000 . 1 . . . . . 220 ALA C . 52622 1 680 . 1 . 1 207 207 ALA CA C 13 55.139 0.038 . 1 . . . . . 220 ALA CA . 52622 1 681 . 1 . 1 207 207 ALA N N 15 121.510 0.021 . 1 . . . . . 220 ALA N . 52622 1 682 . 1 . 1 208 208 VAL H H 1 8.062 0.009 . 1 . . . . . 221 VAL H . 52622 1 683 . 1 . 1 208 208 VAL C C 13 181.119 0.000 . 1 . . . . . 221 VAL C . 52622 1 684 . 1 . 1 208 208 VAL CA C 13 65.598 0.013 . 1 . . . . . 221 VAL CA . 52622 1 685 . 1 . 1 208 208 VAL N N 15 117.816 0.020 . 1 . . . . . 221 VAL N . 52622 1 686 . 1 . 1 209 209 GLU H H 1 9.161 0.001 . 1 . . . . . 222 GLU H . 52622 1 687 . 1 . 1 209 209 GLU C C 13 178.244 0.006 . 1 . . . . . 222 GLU C . 52622 1 688 . 1 . 1 209 209 GLU CA C 13 59.837 0.013 . 1 . . . . . 222 GLU CA . 52622 1 689 . 1 . 1 209 209 GLU N N 15 122.604 0.016 . 1 . . . . . 222 GLU N . 52622 1 690 . 1 . 1 210 210 ALA H H 1 8.129 0.001 . 1 . . . . . 223 ALA H . 52622 1 691 . 1 . 1 210 210 ALA C C 13 177.873 0.000 . 1 . . . . . 223 ALA C . 52622 1 692 . 1 . 1 210 210 ALA CA C 13 53.533 0.026 . 1 . . . . . 223 ALA CA . 52622 1 693 . 1 . 1 210 210 ALA N N 15 116.826 0.004 . 1 . . . . . 223 ALA N . 52622 1 694 . 1 . 1 211 211 GLY H H 1 7.782 0.001 . 1 . . . . . 224 GLY H . 52622 1 695 . 1 . 1 211 211 GLY C C 13 175.607 0.000 . 1 . . . . . 224 GLY C . 52622 1 696 . 1 . 1 211 211 GLY CA C 13 45.531 0.024 . 1 . . . . . 224 GLY CA . 52622 1 697 . 1 . 1 211 211 GLY N N 15 104.408 0.013 . 1 . . . . . 224 GLY N . 52622 1 698 . 1 . 1 212 212 ILE H H 1 7.559 0.001 . 1 . . . . . 225 ILE H . 52622 1 699 . 1 . 1 212 212 ILE C C 13 173.719 0.000 . 1 . . . . . 225 ILE C . 52622 1 700 . 1 . 1 212 212 ILE CA C 13 61.471 0.014 . 1 . . . . . 225 ILE CA . 52622 1 701 . 1 . 1 212 212 ILE N N 15 112.970 0.008 . 1 . . . . . 225 ILE N . 52622 1 stop_ save_