################################### # 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 53410 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name UP1D _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 53410 1 2 '3D HNCO' . . . 53410 1 3 '3D HNCA' . . . 53410 1 4 '3D HNCACB' . . . 53410 1 5 '3D HN(CO)CACB' . . . 53410 1 6 '3D HN(CO)CA' . . . 53410 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 . . 53410 1 2 $software_2 . . 53410 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY C C 13 176.683 0.000 . 1 . . . . . 1 GLY CO . 53410 1 2 . 1 . 1 2 2 GLY H H 1 8.612 0.001 . 1 . . . . . 2 GLY H . 53410 1 3 . 1 . 1 2 2 GLY C C 13 174.258 0.000 . 1 . . . . . 2 GLY CO . 53410 1 4 . 1 . 1 2 2 GLY CA C 13 45.368 0.056 . 1 . . . . . 2 GLY CA . 53410 1 5 . 1 . 1 2 2 GLY N N 15 111.794 0.011 . 1 . . . . . 2 GLY N . 53410 1 6 . 1 . 1 3 3 SER H H 1 8.163 0.002 . 1 . . . . . 3 SER H . 53410 1 7 . 1 . 1 3 3 SER C C 13 174.746 0.000 . 1 . . . . . 3 SER CO . 53410 1 8 . 1 . 1 3 3 SER CA C 13 58.724 0.012 . 1 . . . . . 3 SER CA . 53410 1 9 . 1 . 1 3 3 SER CB C 13 64.274 0.030 . 1 . . . . . 3 SER CB . 53410 1 10 . 1 . 1 3 3 SER N N 15 116.639 0.007 . 1 . . . . . 3 SER N . 53410 1 11 . 1 . 1 4 4 LYS H H 1 8.463 0.001 . 1 . . . . . 4 LYS H . 53410 1 12 . 1 . 1 4 4 LYS C C 13 176.399 0.000 . 1 . . . . . 4 LYS CO . 53410 1 13 . 1 . 1 4 4 LYS CA C 13 56.878 0.012 . 1 . . . . . 4 LYS CA . 53410 1 14 . 1 . 1 4 4 LYS CB C 13 33.062 0.076 . 1 . . . . . 4 LYS CB . 53410 1 15 . 1 . 1 4 4 LYS N N 15 123.849 0.017 . 1 . . . . . 4 LYS N . 53410 1 16 . 1 . 1 5 5 ASP H H 1 8.309 0.001 . 1 . . . . . 5 ASP H . 53410 1 17 . 1 . 1 5 5 ASP C C 13 176.036 0.000 . 1 . . . . . 5 ASP CO . 53410 1 18 . 1 . 1 5 5 ASP CA C 13 55.110 0.015 . 1 . . . . . 5 ASP CA . 53410 1 19 . 1 . 1 5 5 ASP CB C 13 41.231 0.026 . 1 . . . . . 5 ASP CB . 53410 1 20 . 1 . 1 5 5 ASP N N 15 122.197 0.018 . 1 . . . . . 5 ASP N . 53410 1 21 . 1 . 1 6 6 GLU H H 1 8.234 0.001 . 1 . . . . . 6 GLU H . 53410 1 22 . 1 . 1 6 6 GLU C C 13 175.984 0.000 . 1 . . . . . 6 GLU CO . 53410 1 23 . 1 . 1 6 6 GLU CA C 13 56.610 0.008 . 1 . . . . . 6 GLU CA . 53410 1 24 . 1 . 1 6 6 GLU CB C 13 30.691 0.007 . 1 . . . . . 6 GLU CB . 53410 1 25 . 1 . 1 6 6 GLU N N 15 121.239 0.017 . 1 . . . . . 6 GLU N . 53410 1 26 . 1 . 1 7 7 ASP H H 1 8.363 0.002 . 1 . . . . . 7 ASP H . 53410 1 27 . 1 . 1 7 7 ASP CA C 13 53.057 0.000 . 1 . . . . . 7 ASP CA . 53410 1 28 . 1 . 1 7 7 ASP CB C 13 40.837 0.000 . 1 . . . . . 7 ASP CB . 53410 1 29 . 1 . 1 7 7 ASP N N 15 123.936 0.010 . 1 . . . . . 7 ASP N . 53410 1 30 . 1 . 1 8 8 PRO C C 13 177.130 0.000 . 1 . . . . . 8 PRO CO . 53410 1 31 . 1 . 1 8 8 PRO CA C 13 63.731 0.004 . 1 . . . . . 8 PRO CA . 53410 1 32 . 1 . 1 8 8 PRO CB C 13 32.247 0.005 . 1 . . . . . 8 PRO CB . 53410 1 33 . 1 . 1 9 9 LYS H H 1 8.460 0.001 . 1 . . . . . 9 LYS H . 53410 1 34 . 1 . 1 9 9 LYS C C 13 177.005 0.000 . 1 . . . . . 9 LYS CO . 53410 1 35 . 1 . 1 9 9 LYS CA C 13 56.666 0.024 . 1 . . . . . 9 LYS CA . 53410 1 36 . 1 . 1 9 9 LYS CB C 13 33.180 0.111 . 1 . . . . . 9 LYS CB . 53410 1 37 . 1 . 1 9 9 LYS N N 15 121.878 0.005 . 1 . . . . . 9 LYS N . 53410 1 38 . 1 . 1 10 10 GLU H H 1 8.306 0.001 . 1 . . . . . 10 GLU H . 53410 1 39 . 1 . 1 10 10 GLU CA C 13 55.003 0.000 . 1 . . . . . 10 GLU CA . 53410 1 40 . 1 . 1 10 10 GLU CB C 13 29.852 0.000 . 1 . . . . . 10 GLU CB . 53410 1 41 . 1 . 1 10 10 GLU N N 15 121.612 0.019 . 1 . . . . . 10 GLU N . 53410 1 42 . 1 . 1 11 11 PRO C C 13 177.590 0.000 . 1 . . . . . 11 PRO CO . 53410 1 43 . 1 . 1 11 11 PRO CA C 13 64.306 0.036 . 1 . . . . . 11 PRO CA . 53410 1 44 . 1 . 1 11 11 PRO CB C 13 32.452 0.015 . 1 . . . . . 11 PRO CB . 53410 1 45 . 1 . 1 12 12 GLU H H 1 8.715 0.002 . 1 . . . . . 12 GLU H . 53410 1 46 . 1 . 1 12 12 GLU C C 13 177.933 0.000 . 1 . . . . . 12 GLU CO . 53410 1 47 . 1 . 1 12 12 GLU CA C 13 59.964 0.013 . 1 . . . . . 12 GLU CA . 53410 1 48 . 1 . 1 12 12 GLU CB C 13 29.963 0.116 . 1 . . . . . 12 GLU CB . 53410 1 49 . 1 . 1 12 12 GLU N N 15 123.749 0.000 . 1 . . . . . 12 GLU N . 53410 1 50 . 1 . 1 13 13 GLN H H 1 8.607 0.001 . 1 . . . . . 13 GLN H . 53410 1 51 . 1 . 1 13 13 GLN C C 13 177.593 0.000 . 1 . . . . . 13 GLN CO . 53410 1 52 . 1 . 1 13 13 GLN CA C 13 58.849 0.067 . 1 . . . . . 13 GLN CA . 53410 1 53 . 1 . 1 13 13 GLN CB C 13 28.406 0.119 . 1 . . . . . 13 GLN CB . 53410 1 54 . 1 . 1 13 13 GLN N N 15 116.955 0.011 . 1 . . . . . 13 GLN N . 53410 1 55 . 1 . 1 14 14 LEU H H 1 7.532 0.002 . 1 . . . . . 14 LEU H . 53410 1 56 . 1 . 1 14 14 LEU C C 13 177.176 0.000 . 1 . . . . . 14 LEU CO . 53410 1 57 . 1 . 1 14 14 LEU CA C 13 56.449 0.039 . 1 . . . . . 14 LEU CA . 53410 1 58 . 1 . 1 14 14 LEU CB C 13 42.501 0.104 . 1 . . . . . 14 LEU CB . 53410 1 59 . 1 . 1 14 14 LEU N N 15 117.365 0.011 . 1 . . . . . 14 LEU N . 53410 1 60 . 1 . 1 15 15 ARG H H 1 7.621 0.002 . 1 . . . . . 15 ARG H . 53410 1 61 . 1 . 1 15 15 ARG C C 13 173.035 0.000 . 1 . . . . . 15 ARG CO . 53410 1 62 . 1 . 1 15 15 ARG CA C 13 56.589 0.038 . 1 . . . . . 15 ARG CA . 53410 1 63 . 1 . 1 15 15 ARG CB C 13 31.090 0.031 . 1 . . . . . 15 ARG CB . 53410 1 64 . 1 . 1 15 15 ARG N N 15 117.668 0.011 . 1 . . . . . 15 ARG N . 53410 1 65 . 1 . 1 16 16 LYS H H 1 6.997 0.002 . 1 . . . . . 16 LYS H . 53410 1 66 . 1 . 1 16 16 LYS C C 13 175.713 0.000 . 1 . . . . . 16 LYS CO . 53410 1 67 . 1 . 1 16 16 LYS CA C 13 55.783 0.010 . 1 . . . . . 16 LYS CA . 53410 1 68 . 1 . 1 16 16 LYS CB C 13 36.012 0.115 . 1 . . . . . 16 LYS CB . 53410 1 69 . 1 . 1 16 16 LYS N N 15 120.671 0.012 . 1 . . . . . 16 LYS N . 53410 1 70 . 1 . 1 17 17 LEU H H 1 9.625 0.002 . 1 . . . . . 17 LEU H . 53410 1 71 . 1 . 1 17 17 LEU C C 13 176.342 0.000 . 1 . . . . . 17 LEU CO . 53410 1 72 . 1 . 1 17 17 LEU CA C 13 53.782 0.006 . 1 . . . . . 17 LEU CA . 53410 1 73 . 1 . 1 17 17 LEU CB C 13 45.112 0.038 . 1 . . . . . 17 LEU CB . 53410 1 74 . 1 . 1 17 17 LEU N N 15 126.698 0.013 . 1 . . . . . 17 LEU N . 53410 1 75 . 1 . 1 18 18 PHE H H 1 9.057 0.005 . 1 . . . . . 18 PHE H . 53410 1 76 . 1 . 1 18 18 PHE C C 13 174.394 0.000 . 1 . . . . . 18 PHE CO . 53410 1 77 . 1 . 1 18 18 PHE CA C 13 57.652 0.015 . 1 . . . . . 18 PHE CA . 53410 1 78 . 1 . 1 18 18 PHE CB C 13 40.805 0.151 . 1 . . . . . 18 PHE CB . 53410 1 79 . 1 . 1 18 18 PHE N N 15 124.220 0.023 . 1 . . . . . 18 PHE N . 53410 1 80 . 1 . 1 19 19 ILE H H 1 8.506 0.002 . 1 . . . . . 19 ILE H . 53410 1 81 . 1 . 1 19 19 ILE C C 13 173.841 0.000 . 1 . . . . . 19 ILE CO . 53410 1 82 . 1 . 1 19 19 ILE CA C 13 59.560 0.019 . 1 . . . . . 19 ILE CA . 53410 1 83 . 1 . 1 19 19 ILE CB C 13 36.936 0.071 . 1 . . . . . 19 ILE CB . 53410 1 84 . 1 . 1 19 19 ILE N N 15 127.588 0.009 . 1 . . . . . 19 ILE N . 53410 1 85 . 1 . 1 20 20 GLY H H 1 7.978 0.002 . 1 . . . . . 20 GLY H . 53410 1 86 . 1 . 1 20 20 GLY C C 13 174.488 0.000 . 1 . . . . . 20 GLY CO . 53410 1 87 . 1 . 1 20 20 GLY CA C 13 43.666 0.003 . 1 . . . . . 20 GLY CA . 53410 1 88 . 1 . 1 20 20 GLY N N 15 113.684 0.032 . 1 . . . . . 20 GLY N . 53410 1 89 . 1 . 1 21 21 GLY H H 1 8.593 0.001 . 1 . . . . . 21 GLY H . 53410 1 90 . 1 . 1 21 21 GLY C C 13 175.613 0.000 . 1 . . . . . 21 GLY CO . 53410 1 91 . 1 . 1 21 21 GLY CA C 13 46.604 0.017 . 1 . . . . . 21 GLY CA . 53410 1 92 . 1 . 1 21 21 GLY N N 15 108.245 0.014 . 1 . . . . . 21 GLY N . 53410 1 93 . 1 . 1 22 22 LEU H H 1 7.520 0.001 . 1 . . . . . 22 LEU H . 53410 1 94 . 1 . 1 22 22 LEU C C 13 179.140 0.000 . 1 . . . . . 22 LEU CO . 53410 1 95 . 1 . 1 22 22 LEU CA C 13 54.613 0.022 . 1 . . . . . 22 LEU CA . 53410 1 96 . 1 . 1 22 22 LEU CB C 13 43.109 0.019 . 1 . . . . . 22 LEU CB . 53410 1 97 . 1 . 1 22 22 LEU N N 15 115.899 0.006 . 1 . . . . . 22 LEU N . 53410 1 98 . 1 . 1 23 23 SER H H 1 9.152 0.002 . 1 . . . . . 23 SER H . 53410 1 99 . 1 . 1 23 23 SER C C 13 177.920 0.000 . 1 . . . . . 23 SER CO . 53410 1 100 . 1 . 1 23 23 SER CA C 13 58.101 0.009 . 1 . . . . . 23 SER CA . 53410 1 101 . 1 . 1 23 23 SER CB C 13 63.229 0.221 . 1 . . . . . 23 SER CB . 53410 1 102 . 1 . 1 23 23 SER N N 15 115.382 0.023 . 1 . . . . . 23 SER N . 53410 1 103 . 1 . 1 24 24 PHE H H 1 9.096 0.002 . 1 . . . . . 24 PHE H . 53410 1 104 . 1 . 1 24 24 PHE C C 13 175.650 0.000 . 1 . . . . . 24 PHE CO . 53410 1 105 . 1 . 1 24 24 PHE CA C 13 60.658 0.007 . 1 . . . . . 24 PHE CA . 53410 1 106 . 1 . 1 24 24 PHE CB C 13 37.848 0.066 . 1 . . . . . 24 PHE CB . 53410 1 107 . 1 . 1 24 24 PHE N N 15 129.136 0.008 . 1 . . . . . 24 PHE N . 53410 1 108 . 1 . 1 25 25 GLU H H 1 8.321 0.002 . 1 . . . . . 25 GLU H . 53410 1 109 . 1 . 1 25 25 GLU C C 13 177.455 0.000 . 1 . . . . . 25 GLU CO . 53410 1 110 . 1 . 1 25 25 GLU CA C 13 56.981 0.043 . 1 . . . . . 25 GLU CA . 53410 1 111 . 1 . 1 25 25 GLU CB C 13 30.237 0.107 . 1 . . . . . 25 GLU CB . 53410 1 112 . 1 . 1 25 25 GLU N N 15 116.726 0.012 . 1 . . . . . 25 GLU N . 53410 1 113 . 1 . 1 26 26 THR H H 1 7.320 0.003 . 1 . . . . . 26 THR H . 53410 1 114 . 1 . 1 26 26 THR C C 13 174.221 0.000 . 1 . . . . . 26 THR CO . 53410 1 115 . 1 . 1 26 26 THR CA C 13 65.289 0.018 . 1 . . . . . 26 THR CA . 53410 1 116 . 1 . 1 26 26 THR CB C 13 68.718 0.061 . 1 . . . . . 26 THR CB . 53410 1 117 . 1 . 1 26 26 THR N N 15 119.549 0.015 . 1 . . . . . 26 THR N . 53410 1 118 . 1 . 1 27 27 THR H H 1 8.445 0.005 . 1 . . . . . 27 THR H . 53410 1 119 . 1 . 1 27 27 THR C C 13 174.588 0.000 . 1 . . . . . 27 THR CO . 53410 1 120 . 1 . 1 27 27 THR CA C 13 59.743 0.019 . 1 . . . . . 27 THR CA . 53410 1 121 . 1 . 1 27 27 THR CB C 13 73.167 0.172 . 1 . . . . . 27 THR CB . 53410 1 122 . 1 . 1 27 27 THR N N 15 119.981 0.030 . 1 . . . . . 27 THR N . 53410 1 123 . 1 . 1 28 28 ASP H H 1 8.841 0.002 . 1 . . . . . 28 ASP H . 53410 1 124 . 1 . 1 28 28 ASP C C 13 178.362 0.000 . 1 . . . . . 28 ASP CO . 53410 1 125 . 1 . 1 28 28 ASP CA C 13 58.694 0.053 . 1 . . . . . 28 ASP CA . 53410 1 126 . 1 . 1 28 28 ASP CB C 13 40.000 0.104 . 1 . . . . . 28 ASP CB . 53410 1 127 . 1 . 1 28 28 ASP N N 15 121.146 0.006 . 1 . . . . . 28 ASP N . 53410 1 128 . 1 . 1 29 29 GLU H H 1 8.425 0.003 . 1 . . . . . 29 GLU H . 53410 1 129 . 1 . 1 29 29 GLU C C 13 178.982 0.000 . 1 . . . . . 29 GLU CO . 53410 1 130 . 1 . 1 29 29 GLU CA C 13 60.662 0.028 . 1 . . . . . 29 GLU CA . 53410 1 131 . 1 . 1 29 29 GLU CB C 13 29.383 0.014 . 1 . . . . . 29 GLU CB . 53410 1 132 . 1 . 1 29 29 GLU N N 15 117.238 0.012 . 1 . . . . . 29 GLU N . 53410 1 133 . 1 . 1 30 30 SER H H 1 8.409 0.003 . 1 . . . . . 30 SER H . 53410 1 134 . 1 . 1 30 30 SER C C 13 178.191 0.000 . 1 . . . . . 30 SER CO . 53410 1 135 . 1 . 1 30 30 SER CA C 13 61.945 0.011 . 1 . . . . . 30 SER CA . 53410 1 136 . 1 . 1 30 30 SER CB C 13 62.621 0.036 . 1 . . . . . 30 SER CB . 53410 1 137 . 1 . 1 30 30 SER N N 15 121.212 0.023 . 1 . . . . . 30 SER N . 53410 1 138 . 1 . 1 31 31 LEU H H 1 8.542 0.002 . 1 . . . . . 31 LEU H . 53410 1 139 . 1 . 1 31 31 LEU C C 13 178.399 0.000 . 1 . . . . . 31 LEU CO . 53410 1 140 . 1 . 1 31 31 LEU CA C 13 58.606 0.027 . 1 . . . . . 31 LEU CA . 53410 1 141 . 1 . 1 31 31 LEU CB C 13 42.742 0.108 . 1 . . . . . 31 LEU CB . 53410 1 142 . 1 . 1 31 31 LEU N N 15 127.578 0.001 . 1 . . . . . 31 LEU N . 53410 1 143 . 1 . 1 32 32 ARG H H 1 8.051 0.005 . 1 . . . . . 32 ARG H . 53410 1 144 . 1 . 1 32 32 ARG C C 13 177.780 0.000 . 1 . . . . . 32 ARG CO . 53410 1 145 . 1 . 1 32 32 ARG CA C 13 60.075 0.067 . 1 . . . . . 32 ARG CA . 53410 1 146 . 1 . 1 32 32 ARG CB C 13 30.930 0.037 . 1 . . . . . 32 ARG CB . 53410 1 147 . 1 . 1 32 32 ARG N N 15 122.175 0.022 . 1 . . . . . 32 ARG N . 53410 1 148 . 1 . 1 33 33 SER H H 1 8.354 0.002 . 1 . . . . . 33 SER H . 53410 1 149 . 1 . 1 33 33 SER C C 13 176.435 0.000 . 1 . . . . . 33 SER CO . 53410 1 150 . 1 . 1 33 33 SER CA C 13 61.836 0.026 . 1 . . . . . 33 SER CA . 53410 1 151 . 1 . 1 33 33 SER CB C 13 63.078 0.039 . 1 . . . . . 33 SER CB . 53410 1 152 . 1 . 1 33 33 SER N N 15 113.618 0.006 . 1 . . . . . 33 SER N . 53410 1 153 . 1 . 1 34 34 HIS H H 1 7.420 0.001 . 1 . . . . . 34 HIS H . 53410 1 154 . 1 . 1 34 34 HIS C C 13 177.291 0.000 . 1 . . . . . 34 HIS CO . 53410 1 155 . 1 . 1 34 34 HIS CA C 13 60.604 0.031 . 1 . . . . . 34 HIS CA . 53410 1 156 . 1 . 1 34 34 HIS CB C 13 30.095 0.073 . 1 . . . . . 34 HIS CB . 53410 1 157 . 1 . 1 34 34 HIS N N 15 115.722 0.028 . 1 . . . . . 34 HIS N . 53410 1 158 . 1 . 1 35 35 PHE H H 1 8.279 0.002 . 1 . . . . . 35 PHE H . 53410 1 159 . 1 . 1 35 35 PHE C C 13 178.970 0.000 . 1 . . . . . 35 PHE CO . 53410 1 160 . 1 . 1 35 35 PHE CA C 13 64.554 0.004 . 1 . . . . . 35 PHE CA . 53410 1 161 . 1 . 1 35 35 PHE CB C 13 38.654 0.067 . 1 . . . . . 35 PHE CB . 53410 1 162 . 1 . 1 35 35 PHE N N 15 114.207 0.019 . 1 . . . . . 35 PHE N . 53410 1 163 . 1 . 1 36 36 GLU H H 1 9.284 0.004 . 1 . . . . . 36 GLU H . 53410 1 164 . 1 . 1 36 36 GLU C C 13 176.401 0.000 . 1 . . . . . 36 GLU CO . 53410 1 165 . 1 . 1 36 36 GLU CA C 13 58.464 0.053 . 1 . . . . . 36 GLU CA . 53410 1 166 . 1 . 1 36 36 GLU CB C 13 28.698 0.076 . 1 . . . . . 36 GLU CB . 53410 1 167 . 1 . 1 36 36 GLU N N 15 125.212 0.016 . 1 . . . . . 36 GLU N . 53410 1 168 . 1 . 1 37 37 GLN H H 1 6.979 0.002 . 1 . . . . . 37 GLN H . 53410 1 169 . 1 . 1 37 37 GLN C C 13 176.510 0.000 . 1 . . . . . 37 GLN CO . 53410 1 170 . 1 . 1 37 37 GLN CA C 13 58.708 0.197 . 1 . . . . . 37 GLN CA . 53410 1 171 . 1 . 1 37 37 GLN CB C 13 27.787 0.101 . 1 . . . . . 37 GLN CB . 53410 1 172 . 1 . 1 37 37 GLN N N 15 117.383 0.007 . 1 . . . . . 37 GLN N . 53410 1 173 . 1 . 1 38 38 TRP H H 1 7.043 0.004 . 1 . . . . . 38 TRP H . 53410 1 174 . 1 . 1 38 38 TRP C C 13 173.638 0.000 . 1 . . . . . 38 TRP CO . 53410 1 175 . 1 . 1 38 38 TRP CA C 13 61.980 0.012 . 1 . . . . . 38 TRP CA . 53410 1 176 . 1 . 1 38 38 TRP CB C 13 29.670 0.219 . 1 . . . . . 38 TRP CB . 53410 1 177 . 1 . 1 38 38 TRP N N 15 115.327 0.015 . 1 . . . . . 38 TRP N . 53410 1 178 . 1 . 1 39 39 GLY H H 1 7.323 0.002 . 1 . . . . . 39 GLY H . 53410 1 179 . 1 . 1 39 39 GLY C C 13 171.643 0.000 . 1 . . . . . 39 GLY CO . 53410 1 180 . 1 . 1 39 39 GLY CA C 13 45.601 0.006 . 1 . . . . . 39 GLY CA . 53410 1 181 . 1 . 1 39 39 GLY N N 15 105.813 0.025 . 1 . . . . . 39 GLY N . 53410 1 182 . 1 . 1 40 40 THR H H 1 8.683 0.006 . 1 . . . . . 40 THR H . 53410 1 183 . 1 . 1 40 40 THR C C 13 173.748 0.000 . 1 . . . . . 40 THR CO . 53410 1 184 . 1 . 1 40 40 THR CA C 13 63.332 0.007 . 1 . . . . . 40 THR CA . 53410 1 185 . 1 . 1 40 40 THR CB C 13 69.893 0.080 . 1 . . . . . 40 THR CB . 53410 1 186 . 1 . 1 40 40 THR N N 15 117.694 0.017 . 1 . . . . . 40 THR N . 53410 1 187 . 1 . 1 41 41 LEU H H 1 8.863 0.002 . 1 . . . . . 41 LEU H . 53410 1 188 . 1 . 1 41 41 LEU C C 13 178.366 0.000 . 1 . . . . . 41 LEU CO . 53410 1 189 . 1 . 1 41 41 LEU CA C 13 53.356 0.011 . 1 . . . . . 41 LEU CA . 53410 1 190 . 1 . 1 41 41 LEU CB C 13 41.942 0.055 . 1 . . . . . 41 LEU CB . 53410 1 191 . 1 . 1 41 41 LEU N N 15 127.349 0.005 . 1 . . . . . 41 LEU N . 53410 1 192 . 1 . 1 42 42 THR H H 1 8.943 0.002 . 1 . . . . . 42 THR H . 53410 1 193 . 1 . 1 42 42 THR C C 13 175.052 0.000 . 1 . . . . . 42 THR CO . 53410 1 194 . 1 . 1 42 42 THR CA C 13 63.049 0.046 . 1 . . . . . 42 THR CA . 53410 1 195 . 1 . 1 42 42 THR CB C 13 67.744 0.104 . 1 . . . . . 42 THR CB . 53410 1 196 . 1 . 1 42 42 THR N N 15 118.067 0.014 . 1 . . . . . 42 THR N . 53410 1 197 . 1 . 1 43 43 ASP H H 1 7.530 0.001 . 1 . . . . . 43 ASP H . 53410 1 198 . 1 . 1 43 43 ASP C C 13 174.669 0.000 . 1 . . . . . 43 ASP CO . 53410 1 199 . 1 . 1 43 43 ASP CA C 13 54.633 0.009 . 1 . . . . . 43 ASP CA . 53410 1 200 . 1 . 1 43 43 ASP CB C 13 44.339 0.087 . 1 . . . . . 43 ASP CB . 53410 1 201 . 1 . 1 43 43 ASP N N 15 119.388 0.019 . 1 . . . . . 43 ASP N . 53410 1 202 . 1 . 1 44 44 CYS H H 1 8.483 0.001 . 1 . . . . . 44 CYS H . 53410 1 203 . 1 . 1 44 44 CYS C C 13 171.941 0.000 . 1 . . . . . 44 CYS CO . 53410 1 204 . 1 . 1 44 44 CYS CA C 13 59.840 0.017 . 1 . . . . . 44 CYS CA . 53410 1 205 . 1 . 1 44 44 CYS CB C 13 26.361 0.177 . 1 . . . . . 44 CYS CB . 53410 1 206 . 1 . 1 44 44 CYS N N 15 124.336 0.008 . 1 . . . . . 44 CYS N . 53410 1 207 . 1 . 1 45 45 VAL H H 1 8.762 0.001 . 1 . . . . . 45 VAL H . 53410 1 208 . 1 . 1 45 45 VAL C C 13 173.348 0.000 . 1 . . . . . 45 VAL CO . 53410 1 209 . 1 . 1 45 45 VAL CA C 13 60.497 0.112 . 1 . . . . . 45 VAL CA . 53410 1 210 . 1 . 1 45 45 VAL CB C 13 36.581 0.041 . 1 . . . . . 45 VAL CB . 53410 1 211 . 1 . 1 45 45 VAL N N 15 127.454 0.014 . 1 . . . . . 45 VAL N . 53410 1 212 . 1 . 1 46 46 VAL H H 1 8.298 0.002 . 1 . . . . . 46 VAL H . 53410 1 213 . 1 . 1 46 46 VAL C C 13 176.688 0.000 . 1 . . . . . 46 VAL CO . 53410 1 214 . 1 . 1 46 46 VAL CA C 13 62.926 0.021 . 1 . . . . . 46 VAL CA . 53410 1 215 . 1 . 1 46 46 VAL CB C 13 33.227 0.145 . 1 . . . . . 46 VAL CB . 53410 1 216 . 1 . 1 46 46 VAL N N 15 126.124 0.031 . 1 . . . . . 46 VAL N . 53410 1 217 . 1 . 1 47 47 MET H H 1 8.463 0.002 . 1 . . . . . 47 MET H . 53410 1 218 . 1 . 1 47 47 MET C C 13 175.451 0.000 . 1 . . . . . 47 MET CO . 53410 1 219 . 1 . 1 47 47 MET CA C 13 55.250 0.016 . 1 . . . . . 47 MET CA . 53410 1 220 . 1 . 1 47 47 MET CB C 13 30.636 0.030 . 1 . . . . . 47 MET CB . 53410 1 221 . 1 . 1 47 47 MET N N 15 127.546 0.007 . 1 . . . . . 47 MET N . 53410 1 222 . 1 . 1 48 48 ARG H H 1 8.355 0.002 . 1 . . . . . 48 ARG H . 53410 1 223 . 1 . 1 48 48 ARG C C 13 176.059 0.000 . 1 . . . . . 48 ARG CO . 53410 1 224 . 1 . 1 48 48 ARG CA C 13 54.748 0.027 . 1 . . . . . 48 ARG CA . 53410 1 225 . 1 . 1 48 48 ARG CB C 13 34.087 0.026 . 1 . . . . . 48 ARG CB . 53410 1 226 . 1 . 1 48 48 ARG N N 15 121.290 0.014 . 1 . . . . . 48 ARG N . 53410 1 227 . 1 . 1 49 49 ASP H H 1 8.606 0.001 . 1 . . . . . 49 ASP H . 53410 1 228 . 1 . 1 49 49 ASP CA C 13 52.502 0.000 . 1 . . . . . 49 ASP CA . 53410 1 229 . 1 . 1 49 49 ASP CB C 13 43.168 0.000 . 1 . . . . . 49 ASP CB . 53410 1 230 . 1 . 1 49 49 ASP N N 15 125.911 0.009 . 1 . . . . . 49 ASP N . 53410 1 231 . 1 . 1 50 50 PRO C C 13 177.181 0.000 . 1 . . . . . 50 PRO CO . 53410 1 232 . 1 . 1 50 50 PRO CA C 13 65.000 0.005 . 1 . . . . . 50 PRO CA . 53410 1 233 . 1 . 1 50 50 PRO CB C 13 32.226 0.064 . 1 . . . . . 50 PRO CB . 53410 1 234 . 1 . 1 51 51 ASN H H 1 8.587 0.002 . 1 . . . . . 51 ASN H . 53410 1 235 . 1 . 1 51 51 ASN C C 13 176.659 0.000 . 1 . . . . . 51 ASN CO . 53410 1 236 . 1 . 1 51 51 ASN CA C 13 55.766 0.019 . 1 . . . . . 51 ASN CA . 53410 1 237 . 1 . 1 51 51 ASN CB C 13 39.600 0.043 . 1 . . . . . 51 ASN CB . 53410 1 238 . 1 . 1 51 51 ASN N N 15 116.158 0.010 . 1 . . . . . 51 ASN N . 53410 1 239 . 1 . 1 52 52 THR H H 1 8.322 0.001 . 1 . . . . . 52 THR H . 53410 1 240 . 1 . 1 52 52 THR C C 13 178.248 0.000 . 1 . . . . . 52 THR CO . 53410 1 241 . 1 . 1 52 52 THR CA C 13 62.453 0.051 . 1 . . . . . 52 THR CA . 53410 1 242 . 1 . 1 52 52 THR CB C 13 70.891 0.107 . 1 . . . . . 52 THR CB . 53410 1 243 . 1 . 1 52 52 THR N N 15 109.518 0.026 . 1 . . . . . 52 THR N . 53410 1 244 . 1 . 1 53 53 LYS H H 1 8.104 0.003 . 1 . . . . . 53 LYS H . 53410 1 245 . 1 . 1 53 53 LYS C C 13 175.360 0.000 . 1 . . . . . 53 LYS CO . 53410 1 246 . 1 . 1 53 53 LYS CA C 13 58.302 0.054 . 1 . . . . . 53 LYS CA . 53410 1 247 . 1 . 1 53 53 LYS CB C 13 29.410 0.031 . 1 . . . . . 53 LYS CB . 53410 1 248 . 1 . 1 53 53 LYS N N 15 115.271 0.035 . 1 . . . . . 53 LYS N . 53410 1 249 . 1 . 1 54 54 ARG H H 1 7.885 0.002 . 1 . . . . . 54 ARG H . 53410 1 250 . 1 . 1 54 54 ARG C C 13 176.590 0.000 . 1 . . . . . 54 ARG CO . 53410 1 251 . 1 . 1 54 54 ARG CA C 13 56.700 0.018 . 1 . . . . . 54 ARG CA . 53410 1 252 . 1 . 1 54 54 ARG CB C 13 31.172 0.057 . 1 . . . . . 54 ARG CB . 53410 1 253 . 1 . 1 54 54 ARG N N 15 121.166 0.008 . 1 . . . . . 54 ARG N . 53410 1 254 . 1 . 1 55 55 SER H H 1 8.851 0.001 . 1 . . . . . 55 SER H . 53410 1 255 . 1 . 1 55 55 SER C C 13 175.788 0.000 . 1 . . . . . 55 SER CO . 53410 1 256 . 1 . 1 55 55 SER CA C 13 58.996 0.013 . 1 . . . . . 55 SER CA . 53410 1 257 . 1 . 1 55 55 SER CB C 13 64.167 0.084 . 1 . . . . . 55 SER CB . 53410 1 258 . 1 . 1 55 55 SER N N 15 117.643 0.007 . 1 . . . . . 55 SER N . 53410 1 259 . 1 . 1 56 56 ARG H H 1 9.010 0.003 . 1 . . . . . 56 ARG H . 53410 1 260 . 1 . 1 56 56 ARG C C 13 177.958 0.000 . 1 . . . . . 56 ARG CO . 53410 1 261 . 1 . 1 56 56 ARG CA C 13 56.582 0.047 . 1 . . . . . 56 ARG CA . 53410 1 262 . 1 . 1 56 56 ARG CB C 13 31.323 0.212 . 1 . . . . . 56 ARG CB . 53410 1 263 . 1 . 1 56 56 ARG N N 15 124.143 0.016 . 1 . . . . . 56 ARG N . 53410 1 264 . 1 . 1 57 57 GLY H H 1 9.408 0.003 . 1 . . . . . 57 GLY H . 53410 1 265 . 1 . 1 57 57 GLY C C 13 171.844 0.000 . 1 . . . . . 57 GLY CO . 53410 1 266 . 1 . 1 57 57 GLY CA C 13 45.939 0.327 . 1 . . . . . 57 GLY CA . 53410 1 267 . 1 . 1 57 57 GLY N N 15 108.081 0.027 . 1 . . . . . 57 GLY N . 53410 1 268 . 1 . 1 58 58 PHE H H 1 7.060 0.001 . 1 . . . . . 58 PHE H . 53410 1 269 . 1 . 1 58 58 PHE C C 13 172.628 0.000 . 1 . . . . . 58 PHE CO . 53410 1 270 . 1 . 1 58 58 PHE CA C 13 55.272 0.010 . 1 . . . . . 58 PHE CA . 53410 1 271 . 1 . 1 58 58 PHE CB C 13 41.890 0.098 . 1 . . . . . 58 PHE CB . 53410 1 272 . 1 . 1 58 58 PHE N N 15 113.145 0.006 . 1 . . . . . 58 PHE N . 53410 1 273 . 1 . 1 59 59 GLY H H 1 8.363 0.004 . 1 . . . . . 59 GLY H . 53410 1 274 . 1 . 1 59 59 GLY C C 13 170.060 0.000 . 1 . . . . . 59 GLY CO . 53410 1 275 . 1 . 1 59 59 GLY CA C 13 45.366 0.008 . 1 . . . . . 59 GLY CA . 53410 1 276 . 1 . 1 59 59 GLY N N 15 107.463 0.025 . 1 . . . . . 59 GLY N . 53410 1 277 . 1 . 1 60 60 PHE H H 1 8.926 0.001 . 1 . . . . . 60 PHE H . 53410 1 278 . 1 . 1 60 60 PHE C C 13 174.991 0.000 . 1 . . . . . 60 PHE CO . 53410 1 279 . 1 . 1 60 60 PHE CA C 13 57.022 0.009 . 1 . . . . . 60 PHE CA . 53410 1 280 . 1 . 1 60 60 PHE CB C 13 44.123 0.043 . 1 . . . . . 60 PHE CB . 53410 1 281 . 1 . 1 60 60 PHE N N 15 115.818 0.008 . 1 . . . . . 60 PHE N . 53410 1 282 . 1 . 1 61 61 VAL H H 1 8.592 0.001 . 1 . . . . . 61 VAL H . 53410 1 283 . 1 . 1 61 61 VAL C C 13 173.256 0.000 . 1 . . . . . 61 VAL CO . 53410 1 284 . 1 . 1 61 61 VAL CA C 13 59.845 0.021 . 1 . . . . . 61 VAL CA . 53410 1 285 . 1 . 1 61 61 VAL CB C 13 34.813 0.028 . 1 . . . . . 61 VAL CB . 53410 1 286 . 1 . 1 61 61 VAL N N 15 115.921 0.011 . 1 . . . . . 61 VAL N . 53410 1 287 . 1 . 1 62 62 THR H H 1 8.195 0.002 . 1 . . . . . 62 THR H . 53410 1 288 . 1 . 1 62 62 THR C C 13 174.022 0.000 . 1 . . . . . 62 THR CO . 53410 1 289 . 1 . 1 62 62 THR CA C 13 61.463 0.016 . 1 . . . . . 62 THR CA . 53410 1 290 . 1 . 1 62 62 THR CB C 13 70.357 0.028 . 1 . . . . . 62 THR CB . 53410 1 291 . 1 . 1 62 62 THR N N 15 120.820 0.009 . 1 . . . . . 62 THR N . 53410 1 292 . 1 . 1 63 63 TYR H H 1 8.429 0.002 . 1 . . . . . 63 TYR H . 53410 1 293 . 1 . 1 63 63 TYR C C 13 175.414 0.000 . 1 . . . . . 63 TYR CO . 53410 1 294 . 1 . 1 63 63 TYR CA C 13 58.723 0.016 . 1 . . . . . 63 TYR CA . 53410 1 295 . 1 . 1 63 63 TYR CB C 13 42.462 0.066 . 1 . . . . . 63 TYR CB . 53410 1 296 . 1 . 1 63 63 TYR N N 15 125.895 0.009 . 1 . . . . . 63 TYR N . 53410 1 297 . 1 . 1 64 64 ALA H H 1 8.752 0.002 . 1 . . . . . 64 ALA H . 53410 1 298 . 1 . 1 64 64 ALA C C 13 178.378 0.000 . 1 . . . . . 64 ALA CO . 53410 1 299 . 1 . 1 64 64 ALA CA C 13 55.774 0.044 . 1 . . . . . 64 ALA CA . 53410 1 300 . 1 . 1 64 64 ALA CB C 13 19.496 0.030 . 1 . . . . . 64 ALA CB . 53410 1 301 . 1 . 1 64 64 ALA N N 15 122.160 0.013 . 1 . . . . . 64 ALA N . 53410 1 302 . 1 . 1 65 65 THR H H 1 7.967 0.002 . 1 . . . . . 65 THR H . 53410 1 303 . 1 . 1 65 65 THR C C 13 174.693 0.000 . 1 . . . . . 65 THR CO . 53410 1 304 . 1 . 1 65 65 THR CA C 13 59.489 0.011 . 1 . . . . . 65 THR CA . 53410 1 305 . 1 . 1 65 65 THR CB C 13 73.402 0.000 . 1 . . . . . 65 THR CB . 53410 1 306 . 1 . 1 65 65 THR N N 15 105.687 0.010 . 1 . . . . . 65 THR N . 53410 1 307 . 1 . 1 66 66 VAL H H 1 9.003 0.001 . 1 . . . . . 66 VAL H . 53410 1 308 . 1 . 1 66 66 VAL C C 13 177.214 0.000 . 1 . . . . . 66 VAL CO . 53410 1 309 . 1 . 1 66 66 VAL CA C 13 65.951 0.014 . 1 . . . . . 66 VAL CA . 53410 1 310 . 1 . 1 66 66 VAL CB C 13 32.415 0.172 . 1 . . . . . 66 VAL CB . 53410 1 311 . 1 . 1 66 66 VAL N N 15 121.663 0.016 . 1 . . . . . 66 VAL N . 53410 1 312 . 1 . 1 67 67 GLU H H 1 8.696 0.004 . 1 . . . . . 67 GLU H . 53410 1 313 . 1 . 1 67 67 GLU C C 13 180.068 0.000 . 1 . . . . . 67 GLU CO . 53410 1 314 . 1 . 1 67 67 GLU CA C 13 60.856 0.013 . 1 . . . . . 67 GLU CA . 53410 1 315 . 1 . 1 67 67 GLU CB C 13 29.096 0.048 . 1 . . . . . 67 GLU CB . 53410 1 316 . 1 . 1 67 67 GLU N N 15 121.429 0.013 . 1 . . . . . 67 GLU N . 53410 1 317 . 1 . 1 68 68 GLU H H 1 7.506 0.002 . 1 . . . . . 68 GLU H . 53410 1 318 . 1 . 1 68 68 GLU C C 13 177.027 0.000 . 1 . . . . . 68 GLU CO . 53410 1 319 . 1 . 1 68 68 GLU CA C 13 59.817 0.029 . 1 . . . . . 68 GLU CA . 53410 1 320 . 1 . 1 68 68 GLU CB C 13 29.392 0.009 . 1 . . . . . 68 GLU CB . 53410 1 321 . 1 . 1 68 68 GLU N N 15 121.402 0.027 . 1 . . . . . 68 GLU N . 53410 1 322 . 1 . 1 69 69 VAL H H 1 6.904 0.002 . 1 . . . . . 69 VAL H . 53410 1 323 . 1 . 1 69 69 VAL C C 13 178.287 0.000 . 1 . . . . . 69 VAL CO . 53410 1 324 . 1 . 1 69 69 VAL CA C 13 66.888 0.012 . 1 . . . . . 69 VAL CA . 53410 1 325 . 1 . 1 69 69 VAL CB C 13 31.157 0.043 . 1 . . . . . 69 VAL CB . 53410 1 326 . 1 . 1 69 69 VAL N N 15 119.135 0.004 . 1 . . . . . 69 VAL N . 53410 1 327 . 1 . 1 70 70 ASP H H 1 8.138 0.003 . 1 . . . . . 70 ASP H . 53410 1 328 . 1 . 1 70 70 ASP C C 13 178.739 0.000 . 1 . . . . . 70 ASP CO . 53410 1 329 . 1 . 1 70 70 ASP CA C 13 57.831 0.018 . 1 . . . . . 70 ASP CA . 53410 1 330 . 1 . 1 70 70 ASP CB C 13 39.964 0.038 . 1 . . . . . 70 ASP CB . 53410 1 331 . 1 . 1 70 70 ASP N N 15 120.003 0.015 . 1 . . . . . 70 ASP N . 53410 1 332 . 1 . 1 71 71 ALA H H 1 7.761 0.002 . 1 . . . . . 71 ALA H . 53410 1 333 . 1 . 1 71 71 ALA C C 13 180.552 0.000 . 1 . . . . . 71 ALA CO . 53410 1 334 . 1 . 1 71 71 ALA CA C 13 55.656 0.014 . 1 . . . . . 71 ALA CA . 53410 1 335 . 1 . 1 71 71 ALA CB C 13 18.449 0.088 . 1 . . . . . 71 ALA CB . 53410 1 336 . 1 . 1 71 71 ALA N N 15 123.648 0.007 . 1 . . . . . 71 ALA N . 53410 1 337 . 1 . 1 72 72 ALA H H 1 8.218 0.190 . 1 . . . . . 72 ALA H . 53410 1 338 . 1 . 1 72 72 ALA C C 13 182.175 0.000 . 1 . . . . . 72 ALA CO . 53410 1 339 . 1 . 1 72 72 ALA CA C 13 55.837 0.100 . 1 . . . . . 72 ALA CA . 53410 1 340 . 1 . 1 72 72 ALA CB C 13 18.293 0.312 . 1 . . . . . 72 ALA CB . 53410 1 341 . 1 . 1 72 72 ALA N N 15 121.717 1.081 . 1 . . . . . 72 ALA N . 53410 1 342 . 1 . 1 73 73 MET H H 1 8.713 0.002 . 1 . . . . . 73 MET H . 53410 1 343 . 1 . 1 73 73 MET C C 13 179.390 0.000 . 1 . . . . . 73 MET CO . 53410 1 344 . 1 . 1 73 73 MET CA C 13 56.823 0.016 . 1 . . . . . 73 MET CA . 53410 1 345 . 1 . 1 73 73 MET CB C 13 30.615 0.215 . 1 . . . . . 73 MET CB . 53410 1 346 . 1 . 1 73 73 MET N N 15 118.856 0.008 . 1 . . . . . 73 MET N . 53410 1 347 . 1 . 1 74 74 ASN H H 1 8.081 0.004 . 1 . . . . . 74 ASN H . 53410 1 348 . 1 . 1 74 74 ASN C C 13 175.043 0.000 . 1 . . . . . 74 ASN CO . 53410 1 349 . 1 . 1 74 74 ASN CA C 13 54.734 0.011 . 1 . . . . . 74 ASN CA . 53410 1 350 . 1 . 1 74 74 ASN CB C 13 38.693 0.067 . 1 . . . . . 74 ASN CB . 53410 1 351 . 1 . 1 74 74 ASN N N 15 119.862 0.015 . 1 . . . . . 74 ASN N . 53410 1 352 . 1 . 1 75 75 ALA H H 1 6.977 0.001 . 1 . . . . . 75 ALA H . 53410 1 353 . 1 . 1 75 75 ALA C C 13 175.332 0.000 . 1 . . . . . 75 ALA CO . 53410 1 354 . 1 . 1 75 75 ALA CA C 13 51.694 0.002 . 1 . . . . . 75 ALA CA . 53410 1 355 . 1 . 1 75 75 ALA CB C 13 19.330 0.078 . 1 . . . . . 75 ALA CB . 53410 1 356 . 1 . 1 75 75 ALA N N 15 123.087 0.011 . 1 . . . . . 75 ALA N . 53410 1 357 . 1 . 1 76 76 ARG H H 1 6.866 0.005 . 1 . . . . . 76 ARG H . 53410 1 358 . 1 . 1 76 76 ARG CA C 13 55.446 0.000 . 1 . . . . . 76 ARG CA . 53410 1 359 . 1 . 1 76 76 ARG CB C 13 30.577 0.000 . 1 . . . . . 76 ARG CB . 53410 1 360 . 1 . 1 76 76 ARG N N 15 117.646 0.005 . 1 . . . . . 76 ARG N . 53410 1 361 . 1 . 1 77 77 PRO C C 13 175.648 0.000 . 1 . . . . . 77 PRO CO . 53410 1 362 . 1 . 1 77 77 PRO CA C 13 62.119 0.011 . 1 . . . . . 77 PRO CA . 53410 1 363 . 1 . 1 77 77 PRO CB C 13 35.178 0.041 . 1 . . . . . 77 PRO CB . 53410 1 364 . 1 . 1 78 78 HIS H H 1 9.495 0.003 . 1 . . . . . 78 HIS H . 53410 1 365 . 1 . 1 78 78 HIS C C 13 173.068 0.000 . 1 . . . . . 78 HIS CO . 53410 1 366 . 1 . 1 78 78 HIS CA C 13 56.641 0.020 . 1 . . . . . 78 HIS CA . 53410 1 367 . 1 . 1 78 78 HIS CB C 13 32.515 0.037 . 1 . . . . . 78 HIS CB . 53410 1 368 . 1 . 1 78 78 HIS N N 15 122.343 0.015 . 1 . . . . . 78 HIS N . 53410 1 369 . 1 . 1 79 79 LYS H H 1 8.519 0.002 . 1 . . . . . 79 LYS H . 53410 1 370 . 1 . 1 79 79 LYS C C 13 175.061 0.000 . 1 . . . . . 79 LYS CO . 53410 1 371 . 1 . 1 79 79 LYS CA C 13 55.299 0.082 . 1 . . . . . 79 LYS CA . 53410 1 372 . 1 . 1 79 79 LYS CB C 13 33.910 0.067 . 1 . . . . . 79 LYS CB . 53410 1 373 . 1 . 1 79 79 LYS N N 15 126.121 0.005 . 1 . . . . . 79 LYS N . 53410 1 374 . 1 . 1 80 80 VAL H H 1 8.658 0.002 . 1 . . . . . 80 VAL H . 53410 1 375 . 1 . 1 80 80 VAL C C 13 176.244 0.000 . 1 . . . . . 80 VAL CO . 53410 1 376 . 1 . 1 80 80 VAL CA C 13 61.243 0.010 . 1 . . . . . 80 VAL CA . 53410 1 377 . 1 . 1 80 80 VAL CB C 13 33.302 0.201 . 1 . . . . . 80 VAL CB . 53410 1 378 . 1 . 1 80 80 VAL N N 15 124.928 0.015 . 1 . . . . . 80 VAL N . 53410 1 379 . 1 . 1 81 81 ASP H H 1 9.584 0.001 . 1 . . . . . 81 ASP H . 53410 1 380 . 1 . 1 81 81 ASP C C 13 175.718 0.000 . 1 . . . . . 81 ASP CO . 53410 1 381 . 1 . 1 81 81 ASP CA C 13 56.330 0.010 . 1 . . . . . 81 ASP CA . 53410 1 382 . 1 . 1 81 81 ASP CB C 13 39.922 0.063 . 1 . . . . . 81 ASP CB . 53410 1 383 . 1 . 1 81 81 ASP N N 15 129.326 0.005 . 1 . . . . . 81 ASP N . 53410 1 384 . 1 . 1 82 82 GLY H H 1 8.529 0.002 . 1 . . . . . 82 GLY H . 53410 1 385 . 1 . 1 82 82 GLY C C 13 173.586 0.000 . 1 . . . . . 82 GLY CO . 53410 1 386 . 1 . 1 82 82 GLY CA C 13 45.522 0.002 . 1 . . . . . 82 GLY CA . 53410 1 387 . 1 . 1 82 82 GLY N N 15 102.370 0.011 . 1 . . . . . 82 GLY N . 53410 1 388 . 1 . 1 83 83 ARG H H 1 7.564 0.002 . 1 . . . . . 83 ARG H . 53410 1 389 . 1 . 1 83 83 ARG C C 13 174.552 0.000 . 1 . . . . . 83 ARG CO . 53410 1 390 . 1 . 1 83 83 ARG CA C 13 53.587 0.010 . 1 . . . . . 83 ARG CA . 53410 1 391 . 1 . 1 83 83 ARG CB C 13 32.663 0.019 . 1 . . . . . 83 ARG CB . 53410 1 392 . 1 . 1 83 83 ARG N N 15 120.987 0.016 . 1 . . . . . 83 ARG N . 53410 1 393 . 1 . 1 84 84 VAL H H 1 8.688 0.002 . 1 . . . . . 84 VAL H . 53410 1 394 . 1 . 1 84 84 VAL C C 13 176.697 0.000 . 1 . . . . . 84 VAL CO . 53410 1 395 . 1 . 1 84 84 VAL CA C 13 63.715 0.026 . 1 . . . . . 84 VAL CA . 53410 1 396 . 1 . 1 84 84 VAL CB C 13 31.039 0.231 . 1 . . . . . 84 VAL CB . 53410 1 397 . 1 . 1 84 84 VAL N N 15 125.548 0.009 . 1 . . . . . 84 VAL N . 53410 1 398 . 1 . 1 85 85 VAL H H 1 8.414 0.002 . 1 . . . . . 85 VAL H . 53410 1 399 . 1 . 1 85 85 VAL C C 13 174.974 0.000 . 1 . . . . . 85 VAL CO . 53410 1 400 . 1 . 1 85 85 VAL CA C 13 59.932 0.014 . 1 . . . . . 85 VAL CA . 53410 1 401 . 1 . 1 85 85 VAL CB C 13 32.714 0.050 . 1 . . . . . 85 VAL CB . 53410 1 402 . 1 . 1 85 85 VAL N N 15 123.471 0.017 . 1 . . . . . 85 VAL N . 53410 1 403 . 1 . 1 86 86 GLU H H 1 8.716 0.008 . 1 . . . . . 86 GLU H . 53410 1 404 . 1 . 1 86 86 GLU CA C 13 53.327 0.000 . 1 . . . . . 86 GLU CA . 53410 1 405 . 1 . 1 86 86 GLU CB C 13 29.388 0.000 . 1 . . . . . 86 GLU CB . 53410 1 406 . 1 . 1 86 86 GLU N N 15 121.692 0.008 . 1 . . . . . 86 GLU N . 53410 1 407 . 1 . 1 87 87 PRO C C 13 175.904 0.000 . 1 . . . . . 87 PRO CO . 53410 1 408 . 1 . 1 87 87 PRO CA C 13 61.925 0.009 . 1 . . . . . 87 PRO CA . 53410 1 409 . 1 . 1 87 87 PRO CB C 13 32.796 0.022 . 1 . . . . . 87 PRO CB . 53410 1 410 . 1 . 1 88 88 LYS H H 1 9.412 0.002 . 1 . . . . . 88 LYS H . 53410 1 411 . 1 . 1 88 88 LYS C C 13 175.661 0.000 . 1 . . . . . 88 LYS CO . 53410 1 412 . 1 . 1 88 88 LYS CA C 13 55.393 0.018 . 1 . . . . . 88 LYS CA . 53410 1 413 . 1 . 1 88 88 LYS CB C 13 36.785 0.065 . 1 . . . . . 88 LYS CB . 53410 1 414 . 1 . 1 88 88 LYS N N 15 121.879 0.010 . 1 . . . . . 88 LYS N . 53410 1 415 . 1 . 1 89 89 ARG H H 1 8.945 0.006 . 1 . . . . . 89 ARG H . 53410 1 416 . 1 . 1 89 89 ARG C C 13 177.038 0.000 . 1 . . . . . 89 ARG CO . 53410 1 417 . 1 . 1 89 89 ARG CA C 13 57.732 0.008 . 1 . . . . . 89 ARG CA . 53410 1 418 . 1 . 1 89 89 ARG CB C 13 30.520 0.156 . 1 . . . . . 89 ARG CB . 53410 1 419 . 1 . 1 89 89 ARG N N 15 123.958 0.014 . 1 . . . . . 89 ARG N . 53410 1 420 . 1 . 1 90 90 ALA H H 1 8.444 0.002 . 1 . . . . . 90 ALA H . 53410 1 421 . 1 . 1 90 90 ALA C C 13 177.502 0.000 . 1 . . . . . 90 ALA CO . 53410 1 422 . 1 . 1 90 90 ALA CA C 13 54.151 0.019 . 1 . . . . . 90 ALA CA . 53410 1 423 . 1 . 1 90 90 ALA CB C 13 19.142 0.020 . 1 . . . . . 90 ALA CB . 53410 1 424 . 1 . 1 90 90 ALA N N 15 126.992 0.026 . 1 . . . . . 90 ALA N . 53410 1 425 . 1 . 1 91 91 VAL H H 1 7.969 0.004 . 1 . . . . . 91 VAL H . 53410 1 426 . 1 . 1 91 91 VAL C C 13 175.462 0.000 . 1 . . . . . 91 VAL CO . 53410 1 427 . 1 . 1 91 91 VAL CA C 13 62.001 0.005 . 1 . . . . . 91 VAL CA . 53410 1 428 . 1 . 1 91 91 VAL CB C 13 33.482 0.017 . 1 . . . . . 91 VAL CB . 53410 1 429 . 1 . 1 91 91 VAL N N 15 116.712 0.028 . 1 . . . . . 91 VAL N . 53410 1 430 . 1 . 1 92 92 SER H H 1 8.356 0.004 . 1 . . . . . 92 SER H . 53410 1 431 . 1 . 1 92 92 SER C C 13 174.689 0.000 . 1 . . . . . 92 SER CO . 53410 1 432 . 1 . 1 92 92 SER CA C 13 58.510 0.022 . 1 . . . . . 92 SER CA . 53410 1 433 . 1 . 1 92 92 SER CB C 13 64.252 0.068 . 1 . . . . . 92 SER CB . 53410 1 434 . 1 . 1 92 92 SER N N 15 119.955 0.018 . 1 . . . . . 92 SER N . 53410 1 435 . 1 . 1 93 93 ARG H H 1 8.471 0.002 . 1 . . . . . 93 ARG H . 53410 1 436 . 1 . 1 93 93 ARG C C 13 176.724 0.000 . 1 . . . . . 93 ARG CO . 53410 1 437 . 1 . 1 93 93 ARG CA C 13 57.015 0.068 . 1 . . . . . 93 ARG CA . 53410 1 438 . 1 . 1 93 93 ARG CB C 13 30.854 0.048 . 1 . . . . . 93 ARG CB . 53410 1 439 . 1 . 1 93 93 ARG N N 15 124.130 0.030 . 1 . . . . . 93 ARG N . 53410 1 440 . 1 . 1 94 94 GLU H H 1 8.517 0.002 . 1 . . . . . 94 GLU H . 53410 1 441 . 1 . 1 94 94 GLU C C 13 176.637 0.000 . 1 . . . . . 94 GLU CO . 53410 1 442 . 1 . 1 94 94 GLU CA C 13 57.534 0.036 . 1 . . . . . 94 GLU CA . 53410 1 443 . 1 . 1 94 94 GLU CB C 13 30.100 0.089 . 1 . . . . . 94 GLU CB . 53410 1 444 . 1 . 1 94 94 GLU N N 15 122.155 0.009 . 1 . . . . . 94 GLU N . 53410 1 445 . 1 . 1 95 95 ASP H H 1 8.275 0.003 . 1 . . . . . 95 ASP H . 53410 1 446 . 1 . 1 95 95 ASP C C 13 176.823 0.000 . 1 . . . . . 95 ASP CO . 53410 1 447 . 1 . 1 95 95 ASP CA C 13 55.229 0.024 . 1 . . . . . 95 ASP CA . 53410 1 448 . 1 . 1 95 95 ASP CB C 13 41.329 0.056 . 1 . . . . . 95 ASP CB . 53410 1 449 . 1 . 1 95 95 ASP N N 15 121.980 0.027 . 1 . . . . . 95 ASP N . 53410 1 450 . 1 . 1 96 96 SER H H 1 8.149 0.004 . 1 . . . . . 96 SER H . 53410 1 451 . 1 . 1 96 96 SER C C 13 174.638 0.000 . 1 . . . . . 96 SER CO . 53410 1 452 . 1 . 1 96 96 SER CA C 13 59.534 0.003 . 1 . . . . . 96 SER CA . 53410 1 453 . 1 . 1 96 96 SER CB C 13 63.753 0.072 . 1 . . . . . 96 SER CB . 53410 1 454 . 1 . 1 96 96 SER N N 15 116.641 0.053 . 1 . . . . . 96 SER N . 53410 1 455 . 1 . 1 97 97 GLN H H 1 8.199 0.003 . 1 . . . . . 97 GLN H . 53410 1 456 . 1 . 1 97 97 GLN C C 13 175.772 0.000 . 1 . . . . . 97 GLN CO . 53410 1 457 . 1 . 1 97 97 GLN CA C 13 56.015 0.085 . 1 . . . . . 97 GLN CA . 53410 1 458 . 1 . 1 97 97 GLN CB C 13 29.370 0.044 . 1 . . . . . 97 GLN CB . 53410 1 459 . 1 . 1 97 97 GLN N N 15 121.511 0.020 . 1 . . . . . 97 GLN N . 53410 1 460 . 1 . 1 98 98 ARG H H 1 8.067 0.003 . 1 . . . . . 98 ARG H . 53410 1 461 . 1 . 1 98 98 ARG CA C 13 54.564 0.000 . 1 . . . . . 98 ARG CA . 53410 1 462 . 1 . 1 98 98 ARG CB C 13 29.922 0.000 . 1 . . . . . 98 ARG CB . 53410 1 463 . 1 . 1 98 98 ARG N N 15 123.240 0.010 . 1 . . . . . 98 ARG N . 53410 1 464 . 1 . 1 99 99 PRO C C 13 177.724 0.000 . 1 . . . . . 99 PRO CO . 53410 1 465 . 1 . 1 99 99 PRO CA C 13 64.082 0.001 . 1 . . . . . 99 PRO CA . 53410 1 466 . 1 . 1 99 99 PRO CB C 13 32.165 0.039 . 1 . . . . . 99 PRO CB . 53410 1 467 . 1 . 1 100 100 GLY H H 1 8.548 0.003 . 1 . . . . . 100 GLY H . 53410 1 468 . 1 . 1 100 100 GLY C C 13 174.312 0.000 . 1 . . . . . 100 GLY CO . 53410 1 469 . 1 . 1 100 100 GLY CA C 13 45.420 0.004 . 1 . . . . . 100 GLY CA . 53410 1 470 . 1 . 1 100 100 GLY N N 15 110.299 0.013 . 1 . . . . . 100 GLY N . 53410 1 471 . 1 . 1 101 101 ALA H H 1 8.008 0.001 . 1 . . . . . 101 ALA H . 53410 1 472 . 1 . 1 101 101 ALA CA C 13 53.537 0.000 . 1 . . . . . 101 ALA CA . 53410 1 473 . 1 . 1 101 101 ALA CB C 13 19.401 0.000 . 1 . . . . . 101 ALA CB . 53410 1 474 . 1 . 1 101 101 ALA N N 15 123.958 0.011 . 1 . . . . . 101 ALA N . 53410 1 475 . 1 . 1 102 102 HIS H H 1 8.257 0.000 . 1 . . . . . 102 HIS H . 53410 1 476 . 1 . 1 102 102 HIS C C 13 174.805 0.000 . 1 . . . . . 102 HIS CO . 53410 1 477 . 1 . 1 102 102 HIS CA C 13 56.188 0.000 . 1 . . . . . 102 HIS CA . 53410 1 478 . 1 . 1 102 102 HIS CB C 13 29.808 0.077 . 1 . . . . . 102 HIS CB . 53410 1 479 . 1 . 1 102 102 HIS N N 15 122.541 0.000 . 1 . . . . . 102 HIS N . 53410 1 480 . 1 . 1 103 103 LEU H H 1 7.947 0.008 . 1 . . . . . 103 LEU H . 53410 1 481 . 1 . 1 103 103 LEU CA C 13 55.397 0.029 . 1 . . . . . 103 LEU CA . 53410 1 482 . 1 . 1 103 103 LEU CB C 13 42.570 0.051 . 1 . . . . . 103 LEU CB . 53410 1 483 . 1 . 1 103 103 LEU N N 15 123.439 0.012 . 1 . . . . . 103 LEU N . 53410 1 484 . 1 . 1 104 104 THR H H 1 8.154 0.003 . 1 . . . . . 104 THR H . 53410 1 485 . 1 . 1 104 104 THR C C 13 174.196 0.000 . 1 . . . . . 104 THR CO . 53410 1 486 . 1 . 1 104 104 THR CA C 13 61.474 0.056 . 1 . . . . . 104 THR CA . 53410 1 487 . 1 . 1 104 104 THR CB C 13 69.520 0.028 . 1 . . . . . 104 THR CB . 53410 1 488 . 1 . 1 104 104 THR N N 15 116.672 0.041 . 1 . . . . . 104 THR N . 53410 1 489 . 1 . 1 105 105 VAL H H 1 8.219 0.002 . 1 . . . . . 105 VAL H . 53410 1 490 . 1 . 1 105 105 VAL C C 13 176.267 0.000 . 1 . . . . . 105 VAL CO . 53410 1 491 . 1 . 1 105 105 VAL CA C 13 62.549 0.383 . 1 . . . . . 105 VAL CA . 53410 1 492 . 1 . 1 105 105 VAL CB C 13 34.285 0.310 . 1 . . . . . 105 VAL CB . 53410 1 493 . 1 . 1 105 105 VAL N N 15 122.599 0.009 . 1 . . . . . 105 VAL N . 53410 1 494 . 1 . 1 106 106 LYS H H 1 8.665 0.001 . 1 . . . . . 106 LYS H . 53410 1 495 . 1 . 1 106 106 LYS C C 13 173.429 0.000 . 1 . . . . . 106 LYS CO . 53410 1 496 . 1 . 1 106 106 LYS CA C 13 57.015 0.192 . 1 . . . . . 106 LYS CA . 53410 1 497 . 1 . 1 106 106 LYS CB C 13 33.720 0.635 . 1 . . . . . 106 LYS CB . 53410 1 498 . 1 . 1 106 106 LYS N N 15 122.301 0.009 . 1 . . . . . 106 LYS N . 53410 1 499 . 1 . 1 107 107 LYS H H 1 7.168 0.002 . 1 . . . . . 107 LYS H . 53410 1 500 . 1 . 1 107 107 LYS C C 13 175.151 0.000 . 1 . . . . . 107 LYS CO . 53410 1 501 . 1 . 1 107 107 LYS CA C 13 54.982 0.020 . 1 . . . . . 107 LYS CA . 53410 1 502 . 1 . 1 107 107 LYS CB C 13 37.640 0.097 . 1 . . . . . 107 LYS CB . 53410 1 503 . 1 . 1 107 107 LYS N N 15 122.792 0.011 . 1 . . . . . 107 LYS N . 53410 1 504 . 1 . 1 108 108 ILE H H 1 8.968 0.002 . 1 . . . . . 108 ILE H . 53410 1 505 . 1 . 1 108 108 ILE C C 13 174.560 0.000 . 1 . . . . . 108 ILE CO . 53410 1 506 . 1 . 1 108 108 ILE CA C 13 59.422 0.011 . 1 . . . . . 108 ILE CA . 53410 1 507 . 1 . 1 108 108 ILE CB C 13 40.651 0.086 . 1 . . . . . 108 ILE CB . 53410 1 508 . 1 . 1 108 108 ILE N N 15 116.646 0.029 . 1 . . . . . 108 ILE N . 53410 1 509 . 1 . 1 109 109 PHE H H 1 9.123 0.002 . 1 . . . . . 109 PHE H . 53410 1 510 . 1 . 1 109 109 PHE C C 13 173.470 0.000 . 1 . . . . . 109 PHE CO . 53410 1 511 . 1 . 1 109 109 PHE CA C 13 57.243 0.003 . 1 . . . . . 109 PHE CA . 53410 1 512 . 1 . 1 109 109 PHE CB C 13 41.616 0.238 . 1 . . . . . 109 PHE CB . 53410 1 513 . 1 . 1 109 109 PHE N N 15 124.882 0.005 . 1 . . . . . 109 PHE N . 53410 1 514 . 1 . 1 110 110 VAL H H 1 8.332 0.002 . 1 . . . . . 110 VAL H . 53410 1 515 . 1 . 1 110 110 VAL C C 13 174.090 0.000 . 1 . . . . . 110 VAL CO . 53410 1 516 . 1 . 1 110 110 VAL CA C 13 60.919 0.036 . 1 . . . . . 110 VAL CA . 53410 1 517 . 1 . 1 110 110 VAL CB C 13 33.565 0.121 . 1 . . . . . 110 VAL CB . 53410 1 518 . 1 . 1 110 110 VAL N N 15 127.448 0.018 . 1 . . . . . 110 VAL N . 53410 1 519 . 1 . 1 111 111 GLY H H 1 9.156 0.003 . 1 . . . . . 111 GLY H . 53410 1 520 . 1 . 1 111 111 GLY C C 13 174.465 0.000 . 1 . . . . . 111 GLY CO . 53410 1 521 . 1 . 1 111 111 GLY CA C 13 44.453 0.313 . 1 . . . . . 111 GLY CA . 53410 1 522 . 1 . 1 111 111 GLY N N 15 114.449 0.013 . 1 . . . . . 111 GLY N . 53410 1 523 . 1 . 1 112 112 GLY H H 1 8.304 0.003 . 1 . . . . . 112 GLY H . 53410 1 524 . 1 . 1 112 112 GLY CA C 13 47.290 0.000 . 1 . . . . . 112 GLY CA . 53410 1 525 . 1 . 1 112 112 GLY N N 15 106.604 0.015 . 1 . . . . . 112 GLY N . 53410 1 526 . 1 . 1 117 117 THR C C 13 173.434 0.000 . 1 . . . . . 117 THR CO . 53410 1 527 . 1 . 1 117 117 THR CA C 13 63.186 0.015 . 1 . . . . . 117 THR CA . 53410 1 528 . 1 . 1 117 117 THR CB C 13 69.155 0.027 . 1 . . . . . 117 THR CB . 53410 1 529 . 1 . 1 118 118 GLU H H 1 11.247 0.007 . 1 . . . . . 118 GLU H . 53410 1 530 . 1 . 1 118 118 GLU C C 13 177.607 0.000 . 1 . . . . . 118 GLU CO . 53410 1 531 . 1 . 1 118 118 GLU CA C 13 54.303 0.002 . 1 . . . . . 118 GLU CA . 53410 1 532 . 1 . 1 118 118 GLU CB C 13 33.187 0.046 . 1 . . . . . 118 GLU CB . 53410 1 533 . 1 . 1 118 118 GLU N N 15 130.894 0.032 . 1 . . . . . 118 GLU N . 53410 1 534 . 1 . 1 119 119 GLU H H 1 9.395 0.002 . 1 . . . . . 119 GLU H . 53410 1 535 . 1 . 1 119 119 GLU C C 13 179.458 0.000 . 1 . . . . . 119 GLU CO . 53410 1 536 . 1 . 1 119 119 GLU CA C 13 62.233 0.013 . 1 . . . . . 119 GLU CA . 53410 1 537 . 1 . 1 119 119 GLU CB C 13 28.986 0.270 . 1 . . . . . 119 GLU CB . 53410 1 538 . 1 . 1 119 119 GLU N N 15 123.288 0.015 . 1 . . . . . 119 GLU N . 53410 1 539 . 1 . 1 120 120 HIS H H 1 8.587 0.007 . 1 . . . . . 120 HIS H . 53410 1 540 . 1 . 1 120 120 HIS C C 13 176.438 0.000 . 1 . . . . . 120 HIS CO . 53410 1 541 . 1 . 1 120 120 HIS CA C 13 59.204 0.032 . 1 . . . . . 120 HIS CA . 53410 1 542 . 1 . 1 120 120 HIS CB C 13 27.861 0.102 . 1 . . . . . 120 HIS CB . 53410 1 543 . 1 . 1 120 120 HIS N N 15 114.084 0.010 . 1 . . . . . 120 HIS N . 53410 1 544 . 1 . 1 121 121 HIS H H 1 6.582 0.005 . 1 . . . . . 121 HIS H . 53410 1 545 . 1 . 1 121 121 HIS C C 13 179.687 0.000 . 1 . . . . . 121 HIS CO . 53410 1 546 . 1 . 1 121 121 HIS CA C 13 60.935 0.014 . 1 . . . . . 121 HIS CA . 53410 1 547 . 1 . 1 121 121 HIS CB C 13 32.753 0.168 . 1 . . . . . 121 HIS CB . 53410 1 548 . 1 . 1 121 121 HIS N N 15 118.993 0.034 . 1 . . . . . 121 HIS N . 53410 1 549 . 1 . 1 122 122 LEU H H 1 7.129 0.002 . 1 . . . . . 122 LEU H . 53410 1 550 . 1 . 1 122 122 LEU C C 13 177.959 0.000 . 1 . . . . . 122 LEU CO . 53410 1 551 . 1 . 1 122 122 LEU CA C 13 58.310 0.021 . 1 . . . . . 122 LEU CA . 53410 1 552 . 1 . 1 122 122 LEU CB C 13 43.002 0.054 . 1 . . . . . 122 LEU CB . 53410 1 553 . 1 . 1 122 122 LEU N N 15 117.925 0.008 . 1 . . . . . 122 LEU N . 53410 1 554 . 1 . 1 123 123 ARG H H 1 8.762 0.002 . 1 . . . . . 123 ARG H . 53410 1 555 . 1 . 1 123 123 ARG C C 13 177.010 0.000 . 1 . . . . . 123 ARG CO . 53410 1 556 . 1 . 1 123 123 ARG CA C 13 60.979 0.019 . 1 . . . . . 123 ARG CA . 53410 1 557 . 1 . 1 123 123 ARG CB C 13 30.310 0.058 . 1 . . . . . 123 ARG CB . 53410 1 558 . 1 . 1 123 123 ARG N N 15 122.507 0.012 . 1 . . . . . 123 ARG N . 53410 1 559 . 1 . 1 124 124 ASP H H 1 8.448 0.003 . 1 . . . . . 124 ASP H . 53410 1 560 . 1 . 1 124 124 ASP C C 13 178.050 0.000 . 1 . . . . . 124 ASP CO . 53410 1 561 . 1 . 1 124 124 ASP CA C 13 57.523 0.004 . 1 . . . . . 124 ASP CA . 53410 1 562 . 1 . 1 124 124 ASP CB C 13 40.768 0.046 . 1 . . . . . 124 ASP CB . 53410 1 563 . 1 . 1 124 124 ASP N N 15 116.831 0.012 . 1 . . . . . 124 ASP N . 53410 1 564 . 1 . 1 125 125 TYR H H 1 7.231 0.001 . 1 . . . . . 125 TYR H . 53410 1 565 . 1 . 1 125 125 TYR C C 13 177.665 0.000 . 1 . . . . . 125 TYR CO . 53410 1 566 . 1 . 1 125 125 TYR CA C 13 62.136 0.004 . 1 . . . . . 125 TYR CA . 53410 1 567 . 1 . 1 125 125 TYR CB C 13 40.167 0.086 . 1 . . . . . 125 TYR CB . 53410 1 568 . 1 . 1 125 125 TYR N N 15 115.961 0.010 . 1 . . . . . 125 TYR N . 53410 1 569 . 1 . 1 126 126 PHE H H 1 8.827 0.002 . 1 . . . . . 126 PHE H . 53410 1 570 . 1 . 1 126 126 PHE C C 13 178.212 0.000 . 1 . . . . . 126 PHE CO . 53410 1 571 . 1 . 1 126 126 PHE CA C 13 63.827 0.013 . 1 . . . . . 126 PHE CA . 53410 1 572 . 1 . 1 126 126 PHE CB C 13 38.805 0.068 . 1 . . . . . 126 PHE CB . 53410 1 573 . 1 . 1 126 126 PHE N N 15 114.588 0.012 . 1 . . . . . 126 PHE N . 53410 1 574 . 1 . 1 127 127 GLU H H 1 8.884 0.002 . 1 . . . . . 127 GLU H . 53410 1 575 . 1 . 1 127 127 GLU C C 13 177.920 0.000 . 1 . . . . . 127 GLU CO . 53410 1 576 . 1 . 1 127 127 GLU CA C 13 59.010 0.071 . 1 . . . . . 127 GLU CA . 53410 1 577 . 1 . 1 127 127 GLU CB C 13 28.471 0.059 . 1 . . . . . 127 GLU CB . 53410 1 578 . 1 . 1 127 127 GLU N N 15 121.129 0.006 . 1 . . . . . 127 GLU N . 53410 1 579 . 1 . 1 128 128 GLN H H 1 7.125 0.001 . 1 . . . . . 128 GLN H . 53410 1 580 . 1 . 1 128 128 GLN C C 13 176.682 0.000 . 1 . . . . . 128 GLN CO . 53410 1 581 . 1 . 1 128 128 GLN CA C 13 58.017 0.026 . 1 . . . . . 128 GLN CA . 53410 1 582 . 1 . 1 128 128 GLN CB C 13 29.152 0.035 . 1 . . . . . 128 GLN CB . 53410 1 583 . 1 . 1 128 128 GLN N N 15 116.630 0.004 . 1 . . . . . 128 GLN N . 53410 1 584 . 1 . 1 129 129 TYR H H 1 7.971 0.002 . 1 . . . . . 129 TYR H . 53410 1 585 . 1 . 1 129 129 TYR C C 13 175.564 0.000 . 1 . . . . . 129 TYR CO . 53410 1 586 . 1 . 1 129 129 TYR CA C 13 59.943 0.012 . 1 . . . . . 129 TYR CA . 53410 1 587 . 1 . 1 129 129 TYR CB C 13 39.700 0.100 . 1 . . . . . 129 TYR CB . 53410 1 588 . 1 . 1 129 129 TYR N N 15 117.385 0.007 . 1 . . . . . 129 TYR N . 53410 1 589 . 1 . 1 130 130 GLY H H 1 7.513 0.001 . 1 . . . . . 130 GLY H . 53410 1 590 . 1 . 1 130 130 GLY C C 13 170.477 0.000 . 1 . . . . . 130 GLY CO . 53410 1 591 . 1 . 1 130 130 GLY CA C 13 44.876 0.025 . 1 . . . . . 130 GLY CA . 53410 1 592 . 1 . 1 130 130 GLY N N 15 108.079 0.013 . 1 . . . . . 130 GLY N . 53410 1 593 . 1 . 1 131 131 LYS H H 1 8.178 0.002 . 1 . . . . . 131 LYS H . 53410 1 594 . 1 . 1 131 131 LYS C C 13 177.090 0.000 . 1 . . . . . 131 LYS CO . 53410 1 595 . 1 . 1 131 131 LYS CA C 13 57.433 0.034 . 1 . . . . . 131 LYS CA . 53410 1 596 . 1 . 1 131 131 LYS CB C 13 33.218 0.047 . 1 . . . . . 131 LYS CB . 53410 1 597 . 1 . 1 131 131 LYS N N 15 118.415 0.008 . 1 . . . . . 131 LYS N . 53410 1 598 . 1 . 1 132 132 ILE H H 1 8.940 0.003 . 1 . . . . . 132 ILE H . 53410 1 599 . 1 . 1 132 132 ILE C C 13 175.882 0.000 . 1 . . . . . 132 ILE CO . 53410 1 600 . 1 . 1 132 132 ILE CA C 13 62.051 0.016 . 1 . . . . . 132 ILE CA . 53410 1 601 . 1 . 1 132 132 ILE CB C 13 40.472 0.061 . 1 . . . . . 132 ILE CB . 53410 1 602 . 1 . 1 132 132 ILE N N 15 128.522 0.007 . 1 . . . . . 132 ILE N . 53410 1 603 . 1 . 1 133 133 GLU H H 1 9.178 0.002 . 1 . . . . . 133 GLU H . 53410 1 604 . 1 . 1 133 133 GLU C C 13 176.217 0.000 . 1 . . . . . 133 GLU CO . 53410 1 605 . 1 . 1 133 133 GLU CA C 13 58.165 0.044 . 1 . . . . . 133 GLU CA . 53410 1 606 . 1 . 1 133 133 GLU CB C 13 31.822 0.018 . 1 . . . . . 133 GLU CB . 53410 1 607 . 1 . 1 133 133 GLU N N 15 129.055 0.027 . 1 . . . . . 133 GLU N . 53410 1 608 . 1 . 1 134 134 VAL H H 1 7.314 0.002 . 1 . . . . . 134 VAL H . 53410 1 609 . 1 . 1 134 134 VAL C C 13 172.898 0.000 . 1 . . . . . 134 VAL CO . 53410 1 610 . 1 . 1 134 134 VAL CA C 13 61.699 0.030 . 1 . . . . . 134 VAL CA . 53410 1 611 . 1 . 1 134 134 VAL CB C 13 35.731 0.030 . 1 . . . . . 134 VAL CB . 53410 1 612 . 1 . 1 134 134 VAL N N 15 115.884 0.005 . 1 . . . . . 134 VAL N . 53410 1 613 . 1 . 1 135 135 ILE H H 1 8.612 0.002 . 1 . . . . . 135 ILE H . 53410 1 614 . 1 . 1 135 135 ILE C C 13 174.017 0.000 . 1 . . . . . 135 ILE CO . 53410 1 615 . 1 . 1 135 135 ILE CA C 13 61.386 0.049 . 1 . . . . . 135 ILE CA . 53410 1 616 . 1 . 1 135 135 ILE CB C 13 40.413 0.071 . 1 . . . . . 135 ILE CB . 53410 1 617 . 1 . 1 135 135 ILE N N 15 127.546 0.008 . 1 . . . . . 135 ILE N . 53410 1 618 . 1 . 1 136 136 GLU H H 1 9.056 0.001 . 1 . . . . . 136 GLU H . 53410 1 619 . 1 . 1 136 136 GLU C C 13 174.857 0.000 . 1 . . . . . 136 GLU CO . 53410 1 620 . 1 . 1 136 136 GLU CA C 13 55.064 0.016 . 1 . . . . . 136 GLU CA . 53410 1 621 . 1 . 1 136 136 GLU CB C 13 33.331 0.045 . 1 . . . . . 136 GLU CB . 53410 1 622 . 1 . 1 136 136 GLU N N 15 128.876 0.006 . 1 . . . . . 136 GLU N . 53410 1 623 . 1 . 1 137 137 ILE H H 1 8.991 0.002 . 1 . . . . . 137 ILE H . 53410 1 624 . 1 . 1 137 137 ILE C C 13 176.206 0.000 . 1 . . . . . 137 ILE CO . 53410 1 625 . 1 . 1 137 137 ILE CA C 13 61.661 0.032 . 1 . . . . . 137 ILE CA . 53410 1 626 . 1 . 1 137 137 ILE CB C 13 37.298 0.208 . 1 . . . . . 137 ILE CB . 53410 1 627 . 1 . 1 137 137 ILE N N 15 127.454 0.010 . 1 . . . . . 137 ILE N . 53410 1 628 . 1 . 1 138 138 MET H H 1 7.671 0.004 . 1 . . . . . 138 MET H . 53410 1 629 . 1 . 1 138 138 MET C C 13 176.829 0.000 . 1 . . . . . 138 MET CO . 53410 1 630 . 1 . 1 138 138 MET CA C 13 55.527 0.014 . 1 . . . . . 138 MET CA . 53410 1 631 . 1 . 1 138 138 MET CB C 13 30.768 0.023 . 1 . . . . . 138 MET CB . 53410 1 632 . 1 . 1 138 138 MET N N 15 126.763 0.016 . 1 . . . . . 138 MET N . 53410 1 633 . 1 . 1 139 139 THR H H 1 8.606 0.002 . 1 . . . . . 139 THR H . 53410 1 634 . 1 . 1 139 139 THR C C 13 173.665 0.000 . 1 . . . . . 139 THR CO . 53410 1 635 . 1 . 1 139 139 THR CA C 13 60.725 0.017 . 1 . . . . . 139 THR CA . 53410 1 636 . 1 . 1 139 139 THR CB C 13 72.136 0.048 . 1 . . . . . 139 THR CB . 53410 1 637 . 1 . 1 139 139 THR N N 15 117.389 0.015 . 1 . . . . . 139 THR N . 53410 1 638 . 1 . 1 140 140 ASP H H 1 8.869 0.002 . 1 . . . . . 140 ASP H . 53410 1 639 . 1 . 1 140 140 ASP C C 13 176.847 0.000 . 1 . . . . . 140 ASP CO . 53410 1 640 . 1 . 1 140 140 ASP CA C 13 54.268 0.006 . 1 . . . . . 140 ASP CA . 53410 1 641 . 1 . 1 140 140 ASP CB C 13 42.432 0.127 . 1 . . . . . 140 ASP CB . 53410 1 642 . 1 . 1 140 140 ASP N N 15 124.654 0.012 . 1 . . . . . 140 ASP N . 53410 1 643 . 1 . 1 141 141 ARG H H 1 8.957 0.002 . 1 . . . . . 141 ARG H . 53410 1 644 . 1 . 1 141 141 ARG C C 13 177.887 0.000 . 1 . . . . . 141 ARG CO . 53410 1 645 . 1 . 1 141 141 ARG CA C 13 58.706 0.004 . 1 . . . . . 141 ARG CA . 53410 1 646 . 1 . 1 141 141 ARG CB C 13 29.996 0.052 . 1 . . . . . 141 ARG CB . 53410 1 647 . 1 . 1 141 141 ARG N N 15 128.114 0.016 . 1 . . . . . 141 ARG N . 53410 1 648 . 1 . 1 142 142 GLY H H 1 8.665 0.001 . 1 . . . . . 142 GLY H . 53410 1 649 . 1 . 1 142 142 GLY C C 13 174.914 0.000 . 1 . . . . . 142 GLY CO . 53410 1 650 . 1 . 1 142 142 GLY CA C 13 46.614 0.003 . 1 . . . . . 142 GLY CA . 53410 1 651 . 1 . 1 142 142 GLY N N 15 108.635 0.005 . 1 . . . . . 142 GLY N . 53410 1 652 . 1 . 1 143 143 SER H H 1 8.084 0.001 . 1 . . . . . 143 SER H . 53410 1 653 . 1 . 1 143 143 SER C C 13 176.139 0.000 . 1 . . . . . 143 SER CO . 53410 1 654 . 1 . 1 143 143 SER CA C 13 58.853 0.052 . 1 . . . . . 143 SER CA . 53410 1 655 . 1 . 1 143 143 SER CB C 13 65.753 0.040 . 1 . . . . . 143 SER CB . 53410 1 656 . 1 . 1 143 143 SER N N 15 114.998 0.006 . 1 . . . . . 143 SER N . 53410 1 657 . 1 . 1 144 144 GLY H H 1 8.383 0.001 . 1 . . . . . 144 GLY H . 53410 1 658 . 1 . 1 144 144 GLY C C 13 173.962 0.000 . 1 . . . . . 144 GLY CO . 53410 1 659 . 1 . 1 144 144 GLY CA C 13 45.750 0.010 . 1 . . . . . 144 GLY CA . 53410 1 660 . 1 . 1 144 144 GLY N N 15 113.145 0.003 . 1 . . . . . 144 GLY N . 53410 1 661 . 1 . 1 145 145 LYS H H 1 7.821 0.001 . 1 . . . . . 145 LYS H . 53410 1 662 . 1 . 1 145 145 LYS C C 13 176.953 0.000 . 1 . . . . . 145 LYS CO . 53410 1 663 . 1 . 1 145 145 LYS CA C 13 56.752 0.056 . 1 . . . . . 145 LYS CA . 53410 1 664 . 1 . 1 145 145 LYS CB C 13 33.601 0.035 . 1 . . . . . 145 LYS CB . 53410 1 665 . 1 . 1 145 145 LYS N N 15 120.869 0.004 . 1 . . . . . 145 LYS N . 53410 1 666 . 1 . 1 146 146 LYS H H 1 8.987 0.001 . 1 . . . . . 146 LYS H . 53410 1 667 . 1 . 1 146 146 LYS C C 13 177.460 0.000 . 1 . . . . . 146 LYS CO . 53410 1 668 . 1 . 1 146 146 LYS CA C 13 57.806 0.017 . 1 . . . . . 146 LYS CA . 53410 1 669 . 1 . 1 146 146 LYS CB C 13 32.693 0.027 . 1 . . . . . 146 LYS CB . 53410 1 670 . 1 . 1 146 146 LYS N N 15 124.679 0.025 . 1 . . . . . 146 LYS N . 53410 1 671 . 1 . 1 147 147 ARG H H 1 8.128 0.004 . 1 . . . . . 147 ARG H . 53410 1 672 . 1 . 1 147 147 ARG C C 13 176.832 0.000 . 1 . . . . . 147 ARG CO . 53410 1 673 . 1 . 1 147 147 ARG CA C 13 56.209 0.050 . 1 . . . . . 147 ARG CA . 53410 1 674 . 1 . 1 147 147 ARG CB C 13 32.549 0.100 . 1 . . . . . 147 ARG CB . 53410 1 675 . 1 . 1 147 147 ARG N N 15 120.451 0.015 . 1 . . . . . 147 ARG N . 53410 1 676 . 1 . 1 148 148 GLY H H 1 8.449 0.004 . 1 . . . . . 148 GLY H . 53410 1 677 . 1 . 1 148 148 GLY C C 13 173.467 0.000 . 1 . . . . . 148 GLY CO . 53410 1 678 . 1 . 1 148 148 GLY CA C 13 45.482 0.084 . 1 . . . . . 148 GLY CA . 53410 1 679 . 1 . 1 148 148 GLY N N 15 111.230 0.028 . 1 . . . . . 148 GLY N . 53410 1 680 . 1 . 1 149 149 PHE H H 1 7.281 0.002 . 1 . . . . . 149 PHE H . 53410 1 681 . 1 . 1 149 149 PHE C C 13 172.397 0.000 . 1 . . . . . 149 PHE CO . 53410 1 682 . 1 . 1 149 149 PHE CA C 13 55.804 0.038 . 1 . . . . . 149 PHE CA . 53410 1 683 . 1 . 1 149 149 PHE N N 15 114.655 0.018 . 1 . . . . . 149 PHE N . 53410 1 684 . 1 . 1 150 150 ALA H H 1 8.779 0.002 . 1 . . . . . 150 ALA H . 53410 1 685 . 1 . 1 150 150 ALA C C 13 174.069 0.000 . 1 . . . . . 150 ALA CO . 53410 1 686 . 1 . 1 150 150 ALA CA C 13 50.181 0.011 . 1 . . . . . 150 ALA CA . 53410 1 687 . 1 . 1 150 150 ALA CB C 13 25.686 0.101 . 1 . . . . . 150 ALA CB . 53410 1 688 . 1 . 1 150 150 ALA N N 15 121.934 0.014 . 1 . . . . . 150 ALA N . 53410 1 689 . 1 . 1 151 151 PHE H H 1 8.680 0.002 . 1 . . . . . 151 PHE H . 53410 1 690 . 1 . 1 151 151 PHE C C 13 176.292 0.000 . 1 . . . . . 151 PHE CO . 53410 1 691 . 1 . 1 151 151 PHE CA C 13 56.559 0.016 . 1 . . . . . 151 PHE CA . 53410 1 692 . 1 . 1 151 151 PHE CB C 13 43.447 0.100 . 1 . . . . . 151 PHE CB . 53410 1 693 . 1 . 1 151 151 PHE N N 15 114.894 0.008 . 1 . . . . . 151 PHE N . 53410 1 694 . 1 . 1 152 152 VAL H H 1 8.601 0.002 . 1 . . . . . 152 VAL H . 53410 1 695 . 1 . 1 152 152 VAL C C 13 173.942 0.000 . 1 . . . . . 152 VAL CO . 53410 1 696 . 1 . 1 152 152 VAL CA C 13 61.836 0.014 . 1 . . . . . 152 VAL CA . 53410 1 697 . 1 . 1 152 152 VAL CB C 13 33.864 0.079 . 1 . . . . . 152 VAL CB . 53410 1 698 . 1 . 1 152 152 VAL N N 15 123.193 0.022 . 1 . . . . . 152 VAL N . 53410 1 699 . 1 . 1 153 153 THR H H 1 8.776 0.001 . 1 . . . . . 153 THR H . 53410 1 700 . 1 . 1 153 153 THR C C 13 174.098 0.000 . 1 . . . . . 153 THR CO . 53410 1 701 . 1 . 1 153 153 THR CA C 13 62.200 0.152 . 1 . . . . . 153 THR CA . 53410 1 702 . 1 . 1 153 153 THR CB C 13 69.671 0.087 . 1 . . . . . 153 THR CB . 53410 1 703 . 1 . 1 153 153 THR N N 15 123.821 0.010 . 1 . . . . . 153 THR N . 53410 1 704 . 1 . 1 154 154 PHE H H 1 9.412 0.002 . 1 . . . . . 154 PHE H . 53410 1 705 . 1 . 1 154 154 PHE C C 13 174.732 0.000 . 1 . . . . . 154 PHE CO . 53410 1 706 . 1 . 1 154 154 PHE CA C 13 58.501 0.015 . 1 . . . . . 154 PHE CA . 53410 1 707 . 1 . 1 154 154 PHE CB C 13 42.061 0.234 . 1 . . . . . 154 PHE CB . 53410 1 708 . 1 . 1 154 154 PHE N N 15 128.443 0.016 . 1 . . . . . 154 PHE N . 53410 1 709 . 1 . 1 155 155 ASP H H 1 8.227 0.003 . 1 . . . . . 155 ASP H . 53410 1 710 . 1 . 1 155 155 ASP C C 13 175.689 0.000 . 1 . . . . . 155 ASP CO . 53410 1 711 . 1 . 1 155 155 ASP CA C 13 56.560 0.003 . 1 . . . . . 155 ASP CA . 53410 1 712 . 1 . 1 155 155 ASP CB C 13 42.681 0.112 . 1 . . . . . 155 ASP CB . 53410 1 713 . 1 . 1 155 155 ASP N N 15 118.937 0.014 . 1 . . . . . 155 ASP N . 53410 1 714 . 1 . 1 156 156 ASP H H 1 8.347 0.004 . 1 . . . . . 156 ASP H . 53410 1 715 . 1 . 1 156 156 ASP CA C 13 53.057 0.000 . 1 . . . . . 156 ASP CA . 53410 1 716 . 1 . 1 156 156 ASP CB C 13 44.779 0.000 . 1 . . . . . 156 ASP CB . 53410 1 717 . 1 . 1 156 156 ASP N N 15 117.650 0.009 . 1 . . . . . 156 ASP N . 53410 1 718 . 1 . 1 158 158 ASP C C 13 178.203 0.000 . 1 . . . . . 158 ASP CO . 53410 1 719 . 1 . 1 158 158 ASP CA C 13 57.584 0.006 . 1 . . . . . 158 ASP CA . 53410 1 720 . 1 . 1 158 158 ASP CB C 13 40.767 0.017 . 1 . . . . . 158 ASP CB . 53410 1 721 . 1 . 1 159 159 SER H H 1 7.456 0.003 . 1 . . . . . 159 SER H . 53410 1 722 . 1 . 1 159 159 SER C C 13 174.742 0.000 . 1 . . . . . 159 SER CO . 53410 1 723 . 1 . 1 159 159 SER CA C 13 61.764 0.345 . 1 . . . . . 159 SER CA . 53410 1 724 . 1 . 1 159 159 SER CB C 13 63.638 0.000 . 1 . . . . . 159 SER CB . 53410 1 725 . 1 . 1 159 159 SER N N 15 114.367 0.017 . 1 . . . . . 159 SER N . 53410 1 726 . 1 . 1 160 160 VAL H H 1 6.445 0.003 . 1 . . . . . 160 VAL H . 53410 1 727 . 1 . 1 160 160 VAL C C 13 177.203 0.000 . 1 . . . . . 160 VAL CO . 53410 1 728 . 1 . 1 160 160 VAL CA C 13 66.933 0.045 . 1 . . . . . 160 VAL CA . 53410 1 729 . 1 . 1 160 160 VAL CB C 13 31.735 0.039 . 1 . . . . . 160 VAL CB . 53410 1 730 . 1 . 1 160 160 VAL N N 15 119.179 0.010 . 1 . . . . . 160 VAL N . 53410 1 731 . 1 . 1 161 161 ASP H H 1 7.745 0.004 . 1 . . . . . 161 ASP H . 53410 1 732 . 1 . 1 161 161 ASP C C 13 178.287 0.000 . 1 . . . . . 161 ASP CO . 53410 1 733 . 1 . 1 161 161 ASP CA C 13 58.219 0.094 . 1 . . . . . 161 ASP CA . 53410 1 734 . 1 . 1 161 161 ASP CB C 13 40.456 0.054 . 1 . . . . . 161 ASP CB . 53410 1 735 . 1 . 1 161 161 ASP N N 15 119.665 0.011 . 1 . . . . . 161 ASP N . 53410 1 736 . 1 . 1 162 162 LYS H H 1 7.466 0.005 . 1 . . . . . 162 LYS H . 53410 1 737 . 1 . 1 162 162 LYS C C 13 178.172 0.000 . 1 . . . . . 162 LYS CO . 53410 1 738 . 1 . 1 162 162 LYS CA C 13 59.193 0.012 . 1 . . . . . 162 LYS CA . 53410 1 739 . 1 . 1 162 162 LYS CB C 13 33.419 0.173 . 1 . . . . . 162 LYS CB . 53410 1 740 . 1 . 1 162 162 LYS N N 15 117.383 0.011 . 1 . . . . . 162 LYS N . 53410 1 741 . 1 . 1 163 163 ILE H H 1 7.396 0.003 . 1 . . . . . 163 ILE H . 53410 1 742 . 1 . 1 163 163 ILE CA C 13 65.718 0.000 . 1 . . . . . 163 ILE CA . 53410 1 743 . 1 . 1 163 163 ILE CB C 13 39.375 0.000 . 1 . . . . . 163 ILE CB . 53410 1 744 . 1 . 1 163 163 ILE N N 15 120.347 0.014 . 1 . . . . . 163 ILE N . 53410 1 745 . 1 . 1 164 164 VAL H H 1 7.825 0.000 . 1 . . . . . 164 VAL H . 53410 1 746 . 1 . 1 164 164 VAL C C 13 176.594 0.000 . 1 . . . . . 164 VAL CO . 53410 1 747 . 1 . 1 164 164 VAL CA C 13 64.564 0.023 . 1 . . . . . 164 VAL CA . 53410 1 748 . 1 . 1 164 164 VAL CB C 13 30.953 0.034 . 1 . . . . . 164 VAL CB . 53410 1 749 . 1 . 1 164 164 VAL N N 15 110.028 0.000 . 1 . . . . . 164 VAL N . 53410 1 750 . 1 . 1 165 165 ILE H H 1 6.963 0.005 . 1 . . . . . 165 ILE H . 53410 1 751 . 1 . 1 165 165 ILE C C 13 175.938 0.000 . 1 . . . . . 165 ILE CO . 53410 1 752 . 1 . 1 165 165 ILE CA C 13 63.789 0.002 . 1 . . . . . 165 ILE CA . 53410 1 753 . 1 . 1 165 165 ILE CB C 13 38.253 0.057 . 1 . . . . . 165 ILE CB . 53410 1 754 . 1 . 1 165 165 ILE N N 15 119.466 0.021 . 1 . . . . . 165 ILE N . 53410 1 755 . 1 . 1 166 166 GLN H H 1 7.534 0.004 . 1 . . . . . 166 GLN H . 53410 1 756 . 1 . 1 166 166 GLN C C 13 174.706 0.000 . 1 . . . . . 166 GLN CO . 53410 1 757 . 1 . 1 166 166 GLN CA C 13 55.191 0.021 . 1 . . . . . 166 GLN CA . 53410 1 758 . 1 . 1 166 166 GLN CB C 13 30.329 0.109 . 1 . . . . . 166 GLN CB . 53410 1 759 . 1 . 1 166 166 GLN N N 15 121.356 0.009 . 1 . . . . . 166 GLN N . 53410 1 760 . 1 . 1 167 167 LYS H H 1 8.139 0.005 . 1 . . . . . 167 LYS H . 53410 1 761 . 1 . 1 167 167 LYS C C 13 175.447 0.000 . 1 . . . . . 167 LYS CO . 53410 1 762 . 1 . 1 167 167 LYS CA C 13 60.183 0.017 . 1 . . . . . 167 LYS CA . 53410 1 763 . 1 . 1 167 167 LYS CB C 13 33.181 0.144 . 1 . . . . . 167 LYS CB . 53410 1 764 . 1 . 1 167 167 LYS N N 15 123.965 0.033 . 1 . . . . . 167 LYS N . 53410 1 765 . 1 . 1 168 168 TYR H H 1 7.769 0.003 . 1 . . . . . 168 TYR H . 53410 1 766 . 1 . 1 168 168 TYR C C 13 175.760 0.000 . 1 . . . . . 168 TYR CO . 53410 1 767 . 1 . 1 168 168 TYR CA C 13 56.899 0.008 . 1 . . . . . 168 TYR CA . 53410 1 768 . 1 . 1 168 168 TYR CB C 13 40.251 0.039 . 1 . . . . . 168 TYR CB . 53410 1 769 . 1 . 1 168 168 TYR N N 15 114.692 0.022 . 1 . . . . . 168 TYR N . 53410 1 770 . 1 . 1 169 169 HIS H H 1 9.105 0.003 . 1 . . . . . 169 HIS H . 53410 1 771 . 1 . 1 169 169 HIS C C 13 174.252 0.000 . 1 . . . . . 169 HIS CO . 53410 1 772 . 1 . 1 169 169 HIS CA C 13 55.679 0.032 . 1 . . . . . 169 HIS CA . 53410 1 773 . 1 . 1 169 169 HIS CB C 13 35.139 0.077 . 1 . . . . . 169 HIS CB . 53410 1 774 . 1 . 1 169 169 HIS N N 15 123.424 0.011 . 1 . . . . . 169 HIS N . 53410 1 775 . 1 . 1 170 170 THR H H 1 8.883 0.002 . 1 . . . . . 170 THR H . 53410 1 776 . 1 . 1 170 170 THR C C 13 173.099 0.000 . 1 . . . . . 170 THR CO . 53410 1 777 . 1 . 1 170 170 THR CA C 13 62.161 0.017 . 1 . . . . . 170 THR CA . 53410 1 778 . 1 . 1 170 170 THR CB C 13 68.926 0.112 . 1 . . . . . 170 THR CB . 53410 1 779 . 1 . 1 170 170 THR N N 15 122.816 0.005 . 1 . . . . . 170 THR N . 53410 1 780 . 1 . 1 171 171 VAL H H 1 8.277 0.008 . 1 . . . . . 171 VAL H . 53410 1 781 . 1 . 1 171 171 VAL C C 13 176.010 0.000 . 1 . . . . . 171 VAL CO . 53410 1 782 . 1 . 1 171 171 VAL CA C 13 61.272 0.025 . 1 . . . . . 171 VAL CA . 53410 1 783 . 1 . 1 171 171 VAL CB C 13 34.142 0.000 . 1 . . . . . 171 VAL CB . 53410 1 784 . 1 . 1 171 171 VAL N N 15 126.400 0.036 . 1 . . . . . 171 VAL N . 53410 1 785 . 1 . 1 172 172 ASN H H 1 9.480 0.002 . 1 . . . . . 172 ASN H . 53410 1 786 . 1 . 1 172 172 ASN C C 13 174.232 0.000 . 1 . . . . . 172 ASN CO . 53410 1 787 . 1 . 1 172 172 ASN CA C 13 53.534 0.015 . 1 . . . . . 172 ASN CA . 53410 1 788 . 1 . 1 172 172 ASN CB C 13 37.512 0.027 . 1 . . . . . 172 ASN CB . 53410 1 789 . 1 . 1 172 172 ASN N N 15 127.361 0.012 . 1 . . . . . 172 ASN N . 53410 1 790 . 1 . 1 173 173 GLY H H 1 8.261 0.002 . 1 . . . . . 173 GLY H . 53410 1 791 . 1 . 1 173 173 GLY C C 13 173.344 0.000 . 1 . . . . . 173 GLY CO . 53410 1 792 . 1 . 1 173 173 GLY CA C 13 45.230 0.015 . 1 . . . . . 173 GLY CA . 53410 1 793 . 1 . 1 173 173 GLY N N 15 101.360 0.018 . 1 . . . . . 173 GLY N . 53410 1 794 . 1 . 1 174 174 HIS H H 1 7.715 0.003 . 1 . . . . . 174 HIS H . 53410 1 795 . 1 . 1 174 174 HIS C C 13 173.138 0.000 . 1 . . . . . 174 HIS CO . 53410 1 796 . 1 . 1 174 174 HIS CA C 13 53.709 0.007 . 1 . . . . . 174 HIS CA . 53410 1 797 . 1 . 1 174 174 HIS CB C 13 30.448 0.000 . 1 . . . . . 174 HIS CB . 53410 1 798 . 1 . 1 174 174 HIS N N 15 119.367 0.009 . 1 . . . . . 174 HIS N . 53410 1 799 . 1 . 1 175 175 ASN H H 1 8.916 0.002 . 1 . . . . . 175 ASN H . 53410 1 800 . 1 . 1 175 175 ASN C C 13 174.934 0.000 . 1 . . . . . 175 ASN CO . 53410 1 801 . 1 . 1 175 175 ASN CA C 13 54.096 0.242 . 1 . . . . . 175 ASN CA . 53410 1 802 . 1 . 1 175 175 ASN N N 15 123.442 0.009 . 1 . . . . . 175 ASN N . 53410 1 803 . 1 . 1 176 176 CYS H H 1 9.110 0.003 . 1 . . . . . 176 CYS H . 53410 1 804 . 1 . 1 176 176 CYS C C 13 173.930 0.000 . 1 . . . . . 176 CYS CO . 53410 1 805 . 1 . 1 176 176 CYS CA C 13 60.076 0.027 . 1 . . . . . 176 CYS CA . 53410 1 806 . 1 . 1 176 176 CYS N N 15 127.646 0.005 . 1 . . . . . 176 CYS N . 53410 1 807 . 1 . 1 177 177 GLU H H 1 8.111 0.001 . 1 . . . . . 177 GLU H . 53410 1 808 . 1 . 1 177 177 GLU C C 13 177.590 0.000 . 1 . . . . . 177 GLU CO . 53410 1 809 . 1 . 1 177 177 GLU CA C 13 55.757 0.023 . 1 . . . . . 177 GLU CA . 53410 1 810 . 1 . 1 177 177 GLU CB C 13 32.219 0.024 . 1 . . . . . 177 GLU CB . 53410 1 811 . 1 . 1 177 177 GLU N N 15 125.473 0.009 . 1 . . . . . 177 GLU N . 53410 1 812 . 1 . 1 178 178 VAL H H 1 8.707 0.002 . 1 . . . . . 178 VAL H . 53410 1 813 . 1 . 1 178 178 VAL C C 13 175.726 0.000 . 1 . . . . . 178 VAL CO . 53410 1 814 . 1 . 1 178 178 VAL CA C 13 60.101 0.060 . 1 . . . . . 178 VAL CA . 53410 1 815 . 1 . 1 178 178 VAL CB C 13 34.605 0.087 . 1 . . . . . 178 VAL CB . 53410 1 816 . 1 . 1 178 178 VAL N N 15 123.395 0.011 . 1 . . . . . 178 VAL N . 53410 1 817 . 1 . 1 179 179 ARG H H 1 8.711 0.002 . 1 . . . . . 179 ARG H . 53410 1 818 . 1 . 1 179 179 ARG C C 13 175.688 0.000 . 1 . . . . . 179 ARG CO . 53410 1 819 . 1 . 1 179 179 ARG CA C 13 54.605 0.019 . 1 . . . . . 179 ARG CA . 53410 1 820 . 1 . 1 179 179 ARG CB C 13 34.151 0.085 . 1 . . . . . 179 ARG CB . 53410 1 821 . 1 . 1 179 179 ARG N N 15 120.530 0.017 . 1 . . . . . 179 ARG N . 53410 1 822 . 1 . 1 180 180 LYS H H 1 9.016 0.003 . 1 . . . . . 180 LYS H . 53410 1 823 . 1 . 1 180 180 LYS C C 13 175.985 0.000 . 1 . . . . . 180 LYS CO . 53410 1 824 . 1 . 1 180 180 LYS CA C 13 59.460 0.001 . 1 . . . . . 180 LYS CA . 53410 1 825 . 1 . 1 180 180 LYS CB C 13 32.635 0.650 . 1 . . . . . 180 LYS CB . 53410 1 826 . 1 . 1 180 180 LYS N N 15 121.774 0.037 . 1 . . . . . 180 LYS N . 53410 1 827 . 1 . 1 181 181 ALA H H 1 8.409 0.002 . 1 . . . . . 181 ALA H . 53410 1 828 . 1 . 1 181 181 ALA C C 13 175.483 0.000 . 1 . . . . . 181 ALA CO . 53410 1 829 . 1 . 1 181 181 ALA CA C 13 51.855 0.004 . 1 . . . . . 181 ALA CA . 53410 1 830 . 1 . 1 181 181 ALA CB C 13 19.507 0.040 . 1 . . . . . 181 ALA CB . 53410 1 831 . 1 . 1 181 181 ALA N N 15 127.412 0.020 . 1 . . . . . 181 ALA N . 53410 1 832 . 1 . 1 182 182 LEU H H 1 8.117 0.006 . 1 . . . . . 182 LEU H . 53410 1 833 . 1 . 1 182 182 LEU C C 13 177.384 0.000 . 1 . . . . . 182 LEU CO . 53410 1 834 . 1 . 1 182 182 LEU CA C 13 54.995 0.225 . 1 . . . . . 182 LEU CA . 53410 1 835 . 1 . 1 182 182 LEU CB C 13 43.325 0.113 . 1 . . . . . 182 LEU CB . 53410 1 836 . 1 . 1 182 182 LEU N N 15 123.319 0.018 . 1 . . . . . 182 LEU N . 53410 1 837 . 1 . 1 183 183 SER H H 1 8.597 0.006 . 1 . . . . . 183 SER H . 53410 1 838 . 1 . 1 183 183 SER C C 13 174.665 0.000 . 1 . . . . . 183 SER CO . 53410 1 839 . 1 . 1 183 183 SER CA C 13 58.278 0.006 . 1 . . . . . 183 SER CA . 53410 1 840 . 1 . 1 183 183 SER CB C 13 64.391 0.176 . 1 . . . . . 183 SER CB . 53410 1 841 . 1 . 1 183 183 SER N N 15 118.083 0.017 . 1 . . . . . 183 SER N . 53410 1 842 . 1 . 1 184 184 LYS H H 1 8.544 0.004 . 1 . . . . . 184 LYS H . 53410 1 843 . 1 . 1 184 184 LYS C C 13 177.560 0.000 . 1 . . . . . 184 LYS CO . 53410 1 844 . 1 . 1 184 184 LYS CA C 13 58.285 0.018 . 1 . . . . . 184 LYS CA . 53410 1 845 . 1 . 1 184 184 LYS CB C 13 32.714 0.121 . 1 . . . . . 184 LYS CB . 53410 1 846 . 1 . 1 184 184 LYS N N 15 123.231 0.046 . 1 . . . . . 184 LYS N . 53410 1 847 . 1 . 1 185 185 GLN H H 1 8.368 0.001 . 1 . . . . . 185 GLN H . 53410 1 848 . 1 . 1 185 185 GLN C C 13 176.922 0.000 . 1 . . . . . 185 GLN CO . 53410 1 849 . 1 . 1 185 185 GLN CA C 13 57.593 0.072 . 1 . . . . . 185 GLN CA . 53410 1 850 . 1 . 1 185 185 GLN CB C 13 29.177 0.028 . 1 . . . . . 185 GLN CB . 53410 1 851 . 1 . 1 185 185 GLN N N 15 120.826 0.015 . 1 . . . . . 185 GLN N . 53410 1 852 . 1 . 1 186 186 GLU H H 1 8.168 0.004 . 1 . . . . . 186 GLU H . 53410 1 853 . 1 . 1 186 186 GLU C C 13 177.320 0.000 . 1 . . . . . 186 GLU CO . 53410 1 854 . 1 . 1 186 186 GLU CA C 13 57.337 0.326 . 1 . . . . . 186 GLU CA . 53410 1 855 . 1 . 1 186 186 GLU CB C 13 30.308 0.132 . 1 . . . . . 186 GLU CB . 53410 1 856 . 1 . 1 186 186 GLU N N 15 122.283 0.030 . 1 . . . . . 186 GLU N . 53410 1 857 . 1 . 1 187 187 MET H H 1 8.241 0.002 . 1 . . . . . 187 MET H . 53410 1 858 . 1 . 1 187 187 MET C C 13 176.618 0.000 . 1 . . . . . 187 MET CO . 53410 1 859 . 1 . 1 187 187 MET CA C 13 56.588 0.097 . 1 . . . . . 187 MET CA . 53410 1 860 . 1 . 1 187 187 MET CB C 13 33.140 0.048 . 1 . . . . . 187 MET CB . 53410 1 861 . 1 . 1 187 187 MET N N 15 120.810 0.024 . 1 . . . . . 187 MET N . 53410 1 862 . 1 . 1 188 188 ALA H H 1 8.089 0.001 . 1 . . . . . 188 ALA H . 53410 1 863 . 1 . 1 188 188 ALA C C 13 178.140 0.000 . 1 . . . . . 188 ALA CO . 53410 1 864 . 1 . 1 188 188 ALA CA C 13 53.472 0.050 . 1 . . . . . 188 ALA CA . 53410 1 865 . 1 . 1 188 188 ALA CB C 13 19.364 0.081 . 1 . . . . . 188 ALA CB . 53410 1 866 . 1 . 1 188 188 ALA N N 15 124.767 0.024 . 1 . . . . . 188 ALA N . 53410 1 867 . 1 . 1 189 189 SER H H 1 8.193 0.002 . 1 . . . . . 189 SER H . 53410 1 868 . 1 . 1 189 189 SER C C 13 174.846 0.000 . 1 . . . . . 189 SER CO . 53410 1 869 . 1 . 1 189 189 SER CA C 13 59.130 0.015 . 1 . . . . . 189 SER CA . 53410 1 870 . 1 . 1 189 189 SER CB C 13 63.771 0.067 . 1 . . . . . 189 SER CB . 53410 1 871 . 1 . 1 189 189 SER N N 15 115.091 0.014 . 1 . . . . . 189 SER N . 53410 1 872 . 1 . 1 190 190 ALA H H 1 8.223 0.003 . 1 . . . . . 190 ALA H . 53410 1 873 . 1 . 1 190 190 ALA C C 13 176.047 0.000 . 1 . . . . . 190 ALA CO . 53410 1 874 . 1 . 1 190 190 ALA CA C 13 53.507 0.038 . 1 . . . . . 190 ALA CA . 53410 1 875 . 1 . 1 190 190 ALA CB C 13 19.348 0.146 . 1 . . . . . 190 ALA CB . 53410 1 876 . 1 . 1 190 190 ALA N N 15 126.328 0.008 . 1 . . . . . 190 ALA N . 53410 1 877 . 1 . 1 191 191 SER H H 1 8.105 0.005 . 1 . . . . . 191 SER H . 53410 1 878 . 1 . 1 191 191 SER C C 13 175.006 0.000 . 1 . . . . . 191 SER CO . 53410 1 879 . 1 . 1 191 191 SER CA C 13 59.046 0.195 . 1 . . . . . 191 SER CA . 53410 1 880 . 1 . 1 191 191 SER CB C 13 63.755 0.017 . 1 . . . . . 191 SER CB . 53410 1 881 . 1 . 1 191 191 SER N N 15 115.245 0.021 . 1 . . . . . 191 SER N . 53410 1 882 . 1 . 1 192 192 SER H H 1 8.261 0.002 . 1 . . . . . 192 SER H . 53410 1 883 . 1 . 1 192 192 SER CA C 13 58.958 0.000 . 1 . . . . . 192 SER CA . 53410 1 884 . 1 . 1 192 192 SER CB C 13 63.755 0.000 . 1 . . . . . 192 SER CB . 53410 1 885 . 1 . 1 192 192 SER N N 15 118.236 0.008 . 1 . . . . . 192 SER N . 53410 1 886 . 1 . 1 195 195 ARG C C 13 171.660 0.000 . 1 . . . . . 195 ARG CO . 53410 1 887 . 1 . 1 196 196 GLY H H 1 7.246 0.002 . 1 . . . . . 196 GLY H . 53410 1 888 . 1 . 1 196 196 GLY C C 13 173.048 0.000 . 1 . . . . . 196 GLY CO . 53410 1 889 . 1 . 1 196 196 GLY CA C 13 43.478 0.021 . 1 . . . . . 196 GLY CA . 53410 1 890 . 1 . 1 196 196 GLY N N 15 117.402 0.052 . 1 . . . . . 196 GLY N . 53410 1 891 . 1 . 1 197 197 ARG H H 1 8.281 0.002 . 1 . . . . . 197 ARG H . 53410 1 892 . 1 . 1 197 197 ARG CA C 13 58.284 0.000 . 1 . . . . . 197 ARG CA . 53410 1 893 . 1 . 1 197 197 ARG CB C 13 31.615 0.000 . 1 . . . . . 197 ARG CB . 53410 1 894 . 1 . 1 197 197 ARG N N 15 126.729 0.020 . 1 . . . . . 197 ARG N . 53410 1 stop_ save_