################################### # 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 52490 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Human AK1 with ADP backbone chemical shifts' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52490 1 2 '3D CBCA(CO)NH' . . . 52490 1 3 '3D HNCACB' . . . 52490 1 4 '3D HNCA' . . . 52490 1 5 '3D HN(CO)CA' . . . 52490 1 6 '3D HNCO' . . . 52490 1 7 '3D HN(CA)CO' . . . 52490 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 . . 52490 1 2 $software_2 . . 52490 1 3 $software_3 . . 52490 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 MET C C 13 171.849 0.000 . 1 . . . . . 1 MET C . 52490 1 2 . 1 . 1 1 1 MET CA C 13 55.318 0.000 . 1 . . . . . 1 MET CA . 52490 1 3 . 1 . 1 1 1 MET CB C 13 32.551 0.000 . 1 . . . . . 1 MET CB . 52490 1 4 . 1 . 1 2 2 GLU H H 1 8.490 0.001 . 1 . . . . . 2 GLU H . 52490 1 5 . 1 . 1 2 2 GLU C C 13 176.281 0.009 . 1 . . . . . 2 GLU C . 52490 1 6 . 1 . 1 2 2 GLU CA C 13 55.598 0.081 . 1 . . . . . 2 GLU CA . 52490 1 7 . 1 . 1 2 2 GLU CB C 13 29.775 0.003 . 1 . . . . . 2 GLU CB . 52490 1 8 . 1 . 1 2 2 GLU N N 15 122.353 0.002 . 1 . . . . . 2 GLU N . 52490 1 9 . 1 . 1 3 3 GLU H H 1 9.006 0.002 . 1 . . . . . 3 GLU H . 52490 1 10 . 1 . 1 3 3 GLU CA C 13 58.434 0.000 . 1 . . . . . 3 GLU CA . 52490 1 11 . 1 . 1 3 3 GLU CB C 13 28.761 0.000 . 1 . . . . . 3 GLU CB . 52490 1 12 . 1 . 1 3 3 GLU N N 15 128.226 0.009 . 1 . . . . . 3 GLU N . 52490 1 13 . 1 . 1 5 5 LEU CA C 13 54.953 0.095 . 1 . . . . . 5 LEU CA . 52490 1 14 . 1 . 1 5 5 LEU CB C 13 41.581 0.000 . 1 . . . . . 5 LEU CB . 52490 1 15 . 1 . 1 7 7 LYS H H 1 8.192 0.002 . 1 . . . . . 7 LYS H . 52490 1 16 . 1 . 1 7 7 LYS C C 13 176.105 0.007 . 1 . . . . . 7 LYS C . 52490 1 17 . 1 . 1 7 7 LYS CA C 13 56.050 0.139 . 1 . . . . . 7 LYS CA . 52490 1 18 . 1 . 1 7 7 LYS CB C 13 32.362 0.110 . 1 . . . . . 7 LYS CB . 52490 1 19 . 1 . 1 7 7 LYS N N 15 118.306 0.004 . 1 . . . . . 7 LYS N . 52490 1 20 . 1 . 1 8 8 THR H H 1 7.555 0.001 . 1 . . . . . 8 THR H . 52490 1 21 . 1 . 1 8 8 THR C C 13 173.583 0.003 . 1 . . . . . 8 THR C . 52490 1 22 . 1 . 1 8 8 THR CA C 13 61.678 0.011 . 1 . . . . . 8 THR CA . 52490 1 23 . 1 . 1 8 8 THR CB C 13 70.169 0.004 . 1 . . . . . 8 THR CB . 52490 1 24 . 1 . 1 8 8 THR N N 15 117.022 0.103 . 1 . . . . . 8 THR N . 52490 1 25 . 1 . 1 9 9 LYS H H 1 8.473 0.003 . 1 . . . . . 9 LYS H . 52490 1 26 . 1 . 1 9 9 LYS C C 13 175.333 0.002 . 1 . . . . . 9 LYS C . 52490 1 27 . 1 . 1 9 9 LYS CA C 13 56.916 0.016 . 1 . . . . . 9 LYS CA . 52490 1 28 . 1 . 1 9 9 LYS CB C 13 33.831 0.120 . 1 . . . . . 9 LYS CB . 52490 1 29 . 1 . 1 9 9 LYS N N 15 124.714 0.003 . 1 . . . . . 9 LYS N . 52490 1 30 . 1 . 1 10 10 ILE H H 1 8.521 0.002 . 1 . . . . . 10 ILE H . 52490 1 31 . 1 . 1 10 10 ILE C C 13 174.011 0.007 . 1 . . . . . 10 ILE C . 52490 1 32 . 1 . 1 10 10 ILE CA C 13 61.302 0.124 . 1 . . . . . 10 ILE CA . 52490 1 33 . 1 . 1 10 10 ILE CB C 13 41.482 0.000 . 1 . . . . . 10 ILE CB . 52490 1 34 . 1 . 1 10 10 ILE N N 15 123.531 0.004 . 1 . . . . . 10 ILE N . 52490 1 35 . 1 . 1 11 11 ILE H H 1 9.141 0.003 . 1 . . . . . 11 ILE H . 52490 1 36 . 1 . 1 11 11 ILE C C 13 176.008 0.008 . 1 . . . . . 11 ILE C . 52490 1 37 . 1 . 1 11 11 ILE CA C 13 58.943 0.002 . 1 . . . . . 11 ILE CA . 52490 1 38 . 1 . 1 11 11 ILE CB C 13 39.965 0.000 . 1 . . . . . 11 ILE CB . 52490 1 39 . 1 . 1 11 11 ILE N N 15 119.785 0.005 . 1 . . . . . 11 ILE N . 52490 1 40 . 1 . 1 12 12 PHE H H 1 8.329 0.001 . 1 . . . . . 12 PHE H . 52490 1 41 . 1 . 1 12 12 PHE C C 13 175.302 0.016 . 1 . . . . . 12 PHE C . 52490 1 42 . 1 . 1 12 12 PHE CA C 13 53.631 0.234 . 1 . . . . . 12 PHE CA . 52490 1 43 . 1 . 1 12 12 PHE CB C 13 39.972 0.033 . 1 . . . . . 12 PHE CB . 52490 1 44 . 1 . 1 12 12 PHE N N 15 125.935 0.003 . 1 . . . . . 12 PHE N . 52490 1 45 . 1 . 1 13 13 VAL H H 1 9.049 0.002 . 1 . . . . . 13 VAL H . 52490 1 46 . 1 . 1 13 13 VAL C C 13 174.311 0.000 . 1 . . . . . 13 VAL C . 52490 1 47 . 1 . 1 13 13 VAL CA C 13 62.080 0.125 . 1 . . . . . 13 VAL CA . 52490 1 48 . 1 . 1 13 13 VAL CB C 13 33.002 0.000 . 1 . . . . . 13 VAL CB . 52490 1 49 . 1 . 1 13 13 VAL N N 15 124.131 0.003 . 1 . . . . . 13 VAL N . 52490 1 50 . 1 . 1 14 14 VAL H H 1 8.883 0.003 . 1 . . . . . 14 VAL H . 52490 1 51 . 1 . 1 14 14 VAL N N 15 127.037 0.030 . 1 . . . . . 14 VAL N . 52490 1 52 . 1 . 1 17 17 PRO C C 13 177.186 0.000 . 1 . . . . . 17 PRO C . 52490 1 53 . 1 . 1 17 17 PRO CA C 13 66.929 0.000 . 1 . . . . . 17 PRO CA . 52490 1 54 . 1 . 1 18 18 GLY H H 1 9.428 0.001 . 1 . . . . . 18 GLY H . 52490 1 55 . 1 . 1 18 18 GLY C C 13 173.817 0.000 . 1 . . . . . 18 GLY C . 52490 1 56 . 1 . 1 18 18 GLY CA C 13 47.689 0.000 . 1 . . . . . 18 GLY CA . 52490 1 57 . 1 . 1 18 18 GLY N N 15 110.006 0.007 . 1 . . . . . 18 GLY N . 52490 1 58 . 1 . 1 19 19 SER H H 1 8.105 0.002 . 1 . . . . . 19 SER H . 52490 1 59 . 1 . 1 19 19 SER CA C 13 60.700 0.000 . 1 . . . . . 19 SER CA . 52490 1 60 . 1 . 1 19 19 SER N N 15 113.603 0.023 . 1 . . . . . 19 SER N . 52490 1 61 . 1 . 1 24 24 GLN CA C 13 55.438 0.000 . 1 . . . . . 24 GLN CA . 52490 1 62 . 1 . 1 25 25 CYS C C 13 176.320 0.001 . 1 . . . . . 25 CYS C . 52490 1 63 . 1 . 1 25 25 CYS CA C 13 65.292 0.039 . 1 . . . . . 25 CYS CA . 52490 1 64 . 1 . 1 25 25 CYS CB C 13 26.078 0.011 . 1 . . . . . 25 CYS CB . 52490 1 65 . 1 . 1 25 25 CYS N N 15 122.352 0.000 . 1 . . . . . 25 CYS N . 52490 1 66 . 1 . 1 26 26 GLU H H 1 7.670 0.004 . 1 . . . . . 26 GLU H . 52490 1 67 . 1 . 1 26 26 GLU C C 13 178.829 0.000 . 1 . . . . . 26 GLU C . 52490 1 68 . 1 . 1 26 26 GLU CA C 13 59.399 0.137 . 1 . . . . . 26 GLU CA . 52490 1 69 . 1 . 1 26 26 GLU CB C 13 28.758 0.060 . 1 . . . . . 26 GLU CB . 52490 1 70 . 1 . 1 26 26 GLU N N 15 118.096 0.039 . 1 . . . . . 26 GLU N . 52490 1 71 . 1 . 1 27 27 LYS C C 13 179.650 0.000 . 1 . . . . . 27 LYS C . 52490 1 72 . 1 . 1 27 27 LYS CA C 13 59.187 0.000 . 1 . . . . . 27 LYS CA . 52490 1 73 . 1 . 1 27 27 LYS CB C 13 30.351 0.000 . 1 . . . . . 27 LYS CB . 52490 1 74 . 1 . 1 28 28 ILE H H 1 8.654 0.001 . 1 . . . . . 28 ILE H . 52490 1 75 . 1 . 1 28 28 ILE C C 13 178.562 0.041 . 1 . . . . . 28 ILE C . 52490 1 76 . 1 . 1 28 28 ILE CA C 13 65.943 0.011 . 1 . . . . . 28 ILE CA . 52490 1 77 . 1 . 1 28 28 ILE CB C 13 37.770 0.005 . 1 . . . . . 28 ILE CB . 52490 1 78 . 1 . 1 28 28 ILE N N 15 120.818 0.025 . 1 . . . . . 28 ILE N . 52490 1 79 . 1 . 1 29 29 VAL H H 1 8.401 0.003 . 1 . . . . . 29 VAL H . 52490 1 80 . 1 . 1 29 29 VAL C C 13 178.957 0.012 . 1 . . . . . 29 VAL C . 52490 1 81 . 1 . 1 29 29 VAL CA C 13 67.637 0.076 . 1 . . . . . 29 VAL CA . 52490 1 82 . 1 . 1 29 29 VAL CB C 13 31.965 0.020 . 1 . . . . . 29 VAL CB . 52490 1 83 . 1 . 1 29 29 VAL N N 15 121.172 0.125 . 1 . . . . . 29 VAL N . 52490 1 84 . 1 . 1 30 30 GLN H H 1 7.477 0.005 . 1 . . . . . 30 GLN H . 52490 1 85 . 1 . 1 30 30 GLN C C 13 176.767 0.014 . 1 . . . . . 30 GLN C . 52490 1 86 . 1 . 1 30 30 GLN CA C 13 58.912 0.025 . 1 . . . . . 30 GLN CA . 52490 1 87 . 1 . 1 30 30 GLN CB C 13 28.704 0.000 . 1 . . . . . 30 GLN CB . 52490 1 88 . 1 . 1 30 30 GLN N N 15 117.388 0.006 . 1 . . . . . 30 GLN N . 52490 1 89 . 1 . 1 31 31 LYS H H 1 7.567 0.002 . 1 . . . . . 31 LYS H . 52490 1 90 . 1 . 1 31 31 LYS C C 13 177.109 0.000 . 1 . . . . . 31 LYS C . 52490 1 91 . 1 . 1 31 31 LYS CA C 13 58.556 0.078 . 1 . . . . . 31 LYS CA . 52490 1 92 . 1 . 1 31 31 LYS CB C 13 34.581 0.003 . 1 . . . . . 31 LYS CB . 52490 1 93 . 1 . 1 31 31 LYS N N 15 116.551 0.003 . 1 . . . . . 31 LYS N . 52490 1 94 . 1 . 1 32 32 TYR H H 1 8.861 0.003 . 1 . . . . . 32 TYR H . 52490 1 95 . 1 . 1 32 32 TYR C C 13 177.663 0.024 . 1 . . . . . 32 TYR C . 52490 1 96 . 1 . 1 32 32 TYR CA C 13 59.458 0.049 . 1 . . . . . 32 TYR CA . 52490 1 97 . 1 . 1 32 32 TYR CB C 13 39.887 0.007 . 1 . . . . . 32 TYR CB . 52490 1 98 . 1 . 1 32 32 TYR N N 15 113.816 0.005 . 1 . . . . . 32 TYR N . 52490 1 99 . 1 . 1 33 33 GLY H H 1 8.039 0.003 . 1 . . . . . 33 GLY H . 52490 1 100 . 1 . 1 33 33 GLY C C 13 175.115 0.001 . 1 . . . . . 33 GLY C . 52490 1 101 . 1 . 1 33 33 GLY CA C 13 46.685 0.056 . 1 . . . . . 33 GLY CA . 52490 1 102 . 1 . 1 33 33 GLY N N 15 105.776 0.113 . 1 . . . . . 33 GLY N . 52490 1 103 . 1 . 1 34 34 TYR H H 1 5.967 0.002 . 1 . . . . . 34 TYR H . 52490 1 104 . 1 . 1 34 34 TYR C C 13 173.913 0.000 . 1 . . . . . 34 TYR C . 52490 1 105 . 1 . 1 34 34 TYR CA C 13 56.494 0.111 . 1 . . . . . 34 TYR CA . 52490 1 106 . 1 . 1 34 34 TYR CB C 13 39.906 0.010 . 1 . . . . . 34 TYR CB . 52490 1 107 . 1 . 1 34 34 TYR N N 15 116.169 0.001 . 1 . . . . . 34 TYR N . 52490 1 108 . 1 . 1 35 35 THR H H 1 8.819 0.002 . 1 . . . . . 35 THR H . 52490 1 109 . 1 . 1 35 35 THR C C 13 173.679 0.004 . 1 . . . . . 35 THR C . 52490 1 110 . 1 . 1 35 35 THR CA C 13 62.777 0.073 . 1 . . . . . 35 THR CA . 52490 1 111 . 1 . 1 35 35 THR CB C 13 69.741 0.116 . 1 . . . . . 35 THR CB . 52490 1 112 . 1 . 1 35 35 THR N N 15 116.929 0.005 . 1 . . . . . 35 THR N . 52490 1 113 . 1 . 1 36 36 HIS H H 1 9.600 0.002 . 1 . . . . . 36 HIS H . 52490 1 114 . 1 . 1 36 36 HIS C C 13 172.928 0.007 . 1 . . . . . 36 HIS C . 52490 1 115 . 1 . 1 36 36 HIS CA C 13 53.542 0.177 . 1 . . . . . 36 HIS CA . 52490 1 116 . 1 . 1 36 36 HIS CB C 13 30.044 0.149 . 1 . . . . . 36 HIS CB . 52490 1 117 . 1 . 1 36 36 HIS N N 15 129.227 0.001 . 1 . . . . . 36 HIS N . 52490 1 118 . 1 . 1 37 37 LEU H H 1 9.124 0.001 . 1 . . . . . 37 LEU H . 52490 1 119 . 1 . 1 37 37 LEU C C 13 173.829 0.003 . 1 . . . . . 37 LEU C . 52490 1 120 . 1 . 1 37 37 LEU CA C 13 53.184 0.014 . 1 . . . . . 37 LEU CA . 52490 1 121 . 1 . 1 37 37 LEU CB C 13 44.242 0.116 . 1 . . . . . 37 LEU CB . 52490 1 122 . 1 . 1 37 37 LEU N N 15 129.715 0.004 . 1 . . . . . 37 LEU N . 52490 1 123 . 1 . 1 38 38 SER H H 1 8.427 0.003 . 1 . . . . . 38 SER H . 52490 1 124 . 1 . 1 38 38 SER CA C 13 58.582 0.075 . 1 . . . . . 38 SER CA . 52490 1 125 . 1 . 1 38 38 SER CB C 13 63.816 0.000 . 1 . . . . . 38 SER CB . 52490 1 126 . 1 . 1 38 38 SER N N 15 118.133 0.006 . 1 . . . . . 38 SER N . 52490 1 127 . 1 . 1 39 39 THR C C 13 175.555 0.000 . 1 . . . . . 39 THR C . 52490 1 128 . 1 . 1 39 39 THR CA C 13 59.465 0.051 . 1 . . . . . 39 THR CA . 52490 1 129 . 1 . 1 39 39 THR CB C 13 64.316 0.006 . 1 . . . . . 39 THR CB . 52490 1 130 . 1 . 1 40 40 GLY H H 1 8.337 0.003 . 1 . . . . . 40 GLY H . 52490 1 131 . 1 . 1 40 40 GLY C C 13 172.931 0.000 . 1 . . . . . 40 GLY C . 52490 1 132 . 1 . 1 40 40 GLY CA C 13 45.757 0.084 . 1 . . . . . 40 GLY CA . 52490 1 133 . 1 . 1 40 40 GLY N N 15 110.810 0.004 . 1 . . . . . 40 GLY N . 52490 1 134 . 1 . 1 41 41 ASP H H 1 7.394 0.002 . 1 . . . . . 41 ASP H . 52490 1 135 . 1 . 1 41 41 ASP C C 13 170.583 0.000 . 1 . . . . . 41 ASP C . 52490 1 136 . 1 . 1 41 41 ASP CA C 13 54.447 0.141 . 1 . . . . . 41 ASP CA . 52490 1 137 . 1 . 1 41 41 ASP CB C 13 42.011 0.000 . 1 . . . . . 41 ASP CB . 52490 1 138 . 1 . 1 41 41 ASP N N 15 121.929 0.003 . 1 . . . . . 41 ASP N . 52490 1 139 . 1 . 1 42 42 LEU H H 1 7.524 0.011 . 1 . . . . . 42 LEU H . 52490 1 140 . 1 . 1 42 42 LEU N N 15 119.336 0.122 . 1 . . . . . 42 LEU N . 52490 1 141 . 1 . 1 43 43 LEU H H 1 8.239 0.001 . 1 . . . . . 43 LEU H . 52490 1 142 . 1 . 1 43 43 LEU CA C 13 58.308 0.162 . 1 . . . . . 43 LEU CA . 52490 1 143 . 1 . 1 43 43 LEU N N 15 120.368 0.000 . 1 . . . . . 43 LEU N . 52490 1 144 . 1 . 1 44 44 ARG C C 13 174.443 0.000 . 1 . . . . . 44 ARG C . 52490 1 145 . 1 . 1 44 44 ARG CA C 13 57.419 0.006 . 1 . . . . . 44 ARG CA . 52490 1 146 . 1 . 1 44 44 ARG CB C 13 30.847 0.000 . 1 . . . . . 44 ARG CB . 52490 1 147 . 1 . 1 45 45 SER H H 1 8.118 0.004 . 1 . . . . . 45 SER H . 52490 1 148 . 1 . 1 45 45 SER CA C 13 55.864 0.000 . 1 . . . . . 45 SER CA . 52490 1 149 . 1 . 1 45 45 SER CB C 13 62.762 0.000 . 1 . . . . . 45 SER CB . 52490 1 150 . 1 . 1 45 45 SER N N 15 120.719 0.005 . 1 . . . . . 45 SER N . 52490 1 151 . 1 . 1 48 48 SER C C 13 175.106 0.000 . 1 . . . . . 48 SER C . 52490 1 152 . 1 . 1 48 48 SER CA C 13 60.939 0.000 . 1 . . . . . 48 SER CA . 52490 1 153 . 1 . 1 48 48 SER CB C 13 63.236 0.033 . 1 . . . . . 48 SER CB . 52490 1 154 . 1 . 1 49 49 SER H H 1 7.681 0.002 . 1 . . . . . 49 SER H . 52490 1 155 . 1 . 1 49 49 SER C C 13 176.121 0.002 . 1 . . . . . 49 SER C . 52490 1 156 . 1 . 1 49 49 SER CA C 13 60.661 0.026 . 1 . . . . . 49 SER CA . 52490 1 157 . 1 . 1 49 49 SER CB C 13 64.349 0.011 . 1 . . . . . 49 SER CB . 52490 1 158 . 1 . 1 49 49 SER N N 15 116.698 0.072 . 1 . . . . . 49 SER N . 52490 1 159 . 1 . 1 50 50 GLY H H 1 7.783 0.002 . 1 . . . . . 50 GLY H . 52490 1 160 . 1 . 1 50 50 GLY C C 13 174.150 0.003 . 1 . . . . . 50 GLY C . 52490 1 161 . 1 . 1 50 50 GLY CA C 13 45.838 0.087 . 1 . . . . . 50 GLY CA . 52490 1 162 . 1 . 1 50 50 GLY N N 15 109.139 0.005 . 1 . . . . . 50 GLY N . 52490 1 163 . 1 . 1 51 51 SER H H 1 7.966 0.001 . 1 . . . . . 51 SER H . 52490 1 164 . 1 . 1 51 51 SER C C 13 174.493 0.019 . 1 . . . . . 51 SER C . 52490 1 165 . 1 . 1 51 51 SER CA C 13 57.309 0.088 . 1 . . . . . 51 SER CA . 52490 1 166 . 1 . 1 51 51 SER CB C 13 64.888 0.018 . 1 . . . . . 51 SER CB . 52490 1 167 . 1 . 1 51 51 SER N N 15 115.871 0.042 . 1 . . . . . 51 SER N . 52490 1 168 . 1 . 1 52 52 ALA H H 1 8.967 0.001 . 1 . . . . . 52 ALA H . 52490 1 169 . 1 . 1 52 52 ALA C C 13 181.239 0.000 . 1 . . . . . 52 ALA C . 52490 1 170 . 1 . 1 52 52 ALA CA C 13 55.707 0.073 . 1 . . . . . 52 ALA CA . 52490 1 171 . 1 . 1 52 52 ALA CB C 13 18.109 0.002 . 1 . . . . . 52 ALA CB . 52490 1 172 . 1 . 1 52 52 ALA N N 15 125.079 0.001 . 1 . . . . . 52 ALA N . 52490 1 173 . 1 . 1 53 53 ARG H H 1 8.554 0.002 . 1 . . . . . 53 ARG H . 52490 1 174 . 1 . 1 53 53 ARG C C 13 178.375 0.019 . 1 . . . . . 53 ARG C . 52490 1 175 . 1 . 1 53 53 ARG CA C 13 59.103 0.076 . 1 . . . . . 53 ARG CA . 52490 1 176 . 1 . 1 53 53 ARG CB C 13 30.342 0.006 . 1 . . . . . 53 ARG CB . 52490 1 177 . 1 . 1 53 53 ARG N N 15 118.947 0.004 . 1 . . . . . 53 ARG N . 52490 1 178 . 1 . 1 54 54 GLY H H 1 8.691 0.002 . 1 . . . . . 54 GLY H . 52490 1 179 . 1 . 1 54 54 GLY C C 13 175.089 0.010 . 1 . . . . . 54 GLY C . 52490 1 180 . 1 . 1 54 54 GLY CA C 13 47.398 0.042 . 1 . . . . . 54 GLY CA . 52490 1 181 . 1 . 1 54 54 GLY N N 15 109.524 0.012 . 1 . . . . . 54 GLY N . 52490 1 182 . 1 . 1 55 55 LYS H H 1 8.166 0.003 . 1 . . . . . 55 LYS H . 52490 1 183 . 1 . 1 55 55 LYS C C 13 179.766 0.021 . 1 . . . . . 55 LYS C . 52490 1 184 . 1 . 1 55 55 LYS CA C 13 59.478 0.050 . 1 . . . . . 55 LYS CA . 52490 1 185 . 1 . 1 55 55 LYS CB C 13 32.071 0.027 . 1 . . . . . 55 LYS CB . 52490 1 186 . 1 . 1 55 55 LYS N N 15 122.101 0.006 . 1 . . . . . 55 LYS N . 52490 1 187 . 1 . 1 56 56 LYS H H 1 7.505 0.002 . 1 . . . . . 56 LYS H . 52490 1 188 . 1 . 1 56 56 LYS C C 13 179.360 0.030 . 1 . . . . . 56 LYS C . 52490 1 189 . 1 . 1 56 56 LYS CA C 13 58.461 0.029 . 1 . . . . . 56 LYS CA . 52490 1 190 . 1 . 1 56 56 LYS CB C 13 31.920 0.012 . 1 . . . . . 56 LYS CB . 52490 1 191 . 1 . 1 56 56 LYS N N 15 119.508 0.007 . 1 . . . . . 56 LYS N . 52490 1 192 . 1 . 1 57 57 LEU H H 1 8.238 0.014 . 1 . . . . . 57 LEU H . 52490 1 193 . 1 . 1 57 57 LEU C C 13 178.834 0.001 . 1 . . . . . 57 LEU C . 52490 1 194 . 1 . 1 57 57 LEU CA C 13 57.748 0.082 . 1 . . . . . 57 LEU CA . 52490 1 195 . 1 . 1 57 57 LEU CB C 13 41.627 0.130 . 1 . . . . . 57 LEU CB . 52490 1 196 . 1 . 1 57 57 LEU N N 15 118.298 0.002 . 1 . . . . . 57 LEU N . 52490 1 197 . 1 . 1 58 58 SER H H 1 8.334 0.002 . 1 . . . . . 58 SER H . 52490 1 198 . 1 . 1 58 58 SER C C 13 176.511 0.000 . 1 . . . . . 58 SER C . 52490 1 199 . 1 . 1 58 58 SER CA C 13 61.673 0.021 . 1 . . . . . 58 SER CA . 52490 1 200 . 1 . 1 58 58 SER CB C 13 62.846 0.076 . 1 . . . . . 58 SER CB . 52490 1 201 . 1 . 1 58 58 SER N N 15 113.724 0.121 . 1 . . . . . 58 SER N . 52490 1 202 . 1 . 1 59 59 GLU H H 1 7.406 0.001 . 1 . . . . . 59 GLU H . 52490 1 203 . 1 . 1 59 59 GLU C C 13 178.296 0.005 . 1 . . . . . 59 GLU C . 52490 1 204 . 1 . 1 59 59 GLU CA C 13 59.091 0.075 . 1 . . . . . 59 GLU CA . 52490 1 205 . 1 . 1 59 59 GLU CB C 13 29.360 0.051 . 1 . . . . . 59 GLU CB . 52490 1 206 . 1 . 1 59 59 GLU N N 15 119.467 0.003 . 1 . . . . . 59 GLU N . 52490 1 207 . 1 . 1 60 60 ILE H H 1 7.381 0.001 . 1 . . . . . 60 ILE H . 52490 1 208 . 1 . 1 60 60 ILE C C 13 178.457 0.049 . 1 . . . . . 60 ILE C . 52490 1 209 . 1 . 1 60 60 ILE CA C 13 65.000 0.091 . 1 . . . . . 60 ILE CA . 52490 1 210 . 1 . 1 60 60 ILE CB C 13 39.121 0.097 . 1 . . . . . 60 ILE CB . 52490 1 211 . 1 . 1 60 60 ILE N N 15 118.944 0.007 . 1 . . . . . 60 ILE N . 52490 1 212 . 1 . 1 61 61 MET H H 1 8.336 0.002 . 1 . . . . . 61 MET H . 52490 1 213 . 1 . 1 61 61 MET C C 13 180.932 0.019 . 1 . . . . . 61 MET C . 52490 1 214 . 1 . 1 61 61 MET CA C 13 59.477 0.052 . 1 . . . . . 61 MET CA . 52490 1 215 . 1 . 1 61 61 MET CB C 13 34.390 0.188 . 1 . . . . . 61 MET CB . 52490 1 216 . 1 . 1 61 61 MET N N 15 117.838 0.000 . 1 . . . . . 61 MET N . 52490 1 217 . 1 . 1 62 62 GLU H H 1 8.597 0.006 . 1 . . . . . 62 GLU H . 52490 1 218 . 1 . 1 62 62 GLU C C 13 177.318 0.008 . 1 . . . . . 62 GLU C . 52490 1 219 . 1 . 1 62 62 GLU CA C 13 58.956 0.027 . 1 . . . . . 62 GLU CA . 52490 1 220 . 1 . 1 62 62 GLU CB C 13 28.706 0.018 . 1 . . . . . 62 GLU CB . 52490 1 221 . 1 . 1 62 62 GLU N N 15 120.436 0.003 . 1 . . . . . 62 GLU N . 52490 1 222 . 1 . 1 63 63 LYS H H 1 7.277 0.003 . 1 . . . . . 63 LYS H . 52490 1 223 . 1 . 1 63 63 LYS C C 13 177.024 0.052 . 1 . . . . . 63 LYS C . 52490 1 224 . 1 . 1 63 63 LYS CA C 13 56.172 0.111 . 1 . . . . . 63 LYS CA . 52490 1 225 . 1 . 1 63 63 LYS CB C 13 33.196 0.072 . 1 . . . . . 63 LYS CB . 52490 1 226 . 1 . 1 63 63 LYS N N 15 115.891 0.003 . 1 . . . . . 63 LYS N . 52490 1 227 . 1 . 1 64 64 GLY H H 1 8.029 0.004 . 1 . . . . . 64 GLY H . 52490 1 228 . 1 . 1 64 64 GLY C C 13 174.507 0.055 . 1 . . . . . 64 GLY C . 52490 1 229 . 1 . 1 64 64 GLY CA C 13 46.145 0.178 . 1 . . . . . 64 GLY CA . 52490 1 230 . 1 . 1 64 64 GLY N N 15 108.067 0.008 . 1 . . . . . 64 GLY N . 52490 1 231 . 1 . 1 65 65 GLN H H 1 7.247 0.001 . 1 . . . . . 65 GLN H . 52490 1 232 . 1 . 1 65 65 GLN C C 13 174.708 0.172 . 1 . . . . . 65 GLN C . 52490 1 233 . 1 . 1 65 65 GLN CA C 13 54.080 0.110 . 1 . . . . . 65 GLN CA . 52490 1 234 . 1 . 1 65 65 GLN CB C 13 30.870 0.002 . 1 . . . . . 65 GLN CB . 52490 1 235 . 1 . 1 65 65 GLN N N 15 117.641 0.002 . 1 . . . . . 65 GLN N . 52490 1 236 . 1 . 1 66 66 LEU H H 1 8.506 0.004 . 1 . . . . . 66 LEU H . 52490 1 237 . 1 . 1 66 66 LEU C C 13 177.302 0.000 . 1 . . . . . 66 LEU C . 52490 1 238 . 1 . 1 66 66 LEU CA C 13 54.715 0.038 . 1 . . . . . 66 LEU CA . 52490 1 239 . 1 . 1 66 66 LEU CB C 13 40.962 0.000 . 1 . . . . . 66 LEU CB . 52490 1 240 . 1 . 1 66 66 LEU N N 15 119.718 0.002 . 1 . . . . . 66 LEU N . 52490 1 241 . 1 . 1 67 67 VAL H H 1 8.742 0.003 . 1 . . . . . 67 VAL H . 52490 1 242 . 1 . 1 67 67 VAL CA C 13 61.019 0.078 . 1 . . . . . 67 VAL CA . 52490 1 243 . 1 . 1 67 67 VAL CB C 13 31.930 0.000 . 1 . . . . . 67 VAL CB . 52490 1 244 . 1 . 1 67 67 VAL N N 15 123.468 0.000 . 1 . . . . . 67 VAL N . 52490 1 245 . 1 . 1 68 68 PRO C C 13 176.858 0.000 . 1 . . . . . 68 PRO C . 52490 1 246 . 1 . 1 68 68 PRO CA C 13 63.900 0.110 . 1 . . . . . 68 PRO CA . 52490 1 247 . 1 . 1 68 68 PRO CB C 13 32.498 0.000 . 1 . . . . . 68 PRO CB . 52490 1 248 . 1 . 1 69 69 LEU H H 1 8.344 0.004 . 1 . . . . . 69 LEU H . 52490 1 249 . 1 . 1 69 69 LEU C C 13 178.083 0.000 . 1 . . . . . 69 LEU C . 52490 1 250 . 1 . 1 69 69 LEU CA C 13 59.788 0.139 . 1 . . . . . 69 LEU CA . 52490 1 251 . 1 . 1 69 69 LEU CB C 13 42.547 0.000 . 1 . . . . . 69 LEU CB . 52490 1 252 . 1 . 1 69 69 LEU N N 15 126.703 0.004 . 1 . . . . . 69 LEU N . 52490 1 253 . 1 . 1 70 70 GLU H H 1 9.109 0.002 . 1 . . . . . 70 GLU H . 52490 1 254 . 1 . 1 70 70 GLU C C 13 177.879 0.029 . 1 . . . . . 70 GLU C . 52490 1 255 . 1 . 1 70 70 GLU CA C 13 59.511 0.044 . 1 . . . . . 70 GLU CA . 52490 1 256 . 1 . 1 70 70 GLU CB C 13 28.342 0.087 . 1 . . . . . 70 GLU CB . 52490 1 257 . 1 . 1 70 70 GLU N N 15 116.350 0.001 . 1 . . . . . 70 GLU N . 52490 1 258 . 1 . 1 71 71 THR H H 1 7.033 0.003 . 1 . . . . . 71 THR H . 52490 1 259 . 1 . 1 71 71 THR CA C 13 66.238 0.053 . 1 . . . . . 71 THR CA . 52490 1 260 . 1 . 1 71 71 THR CB C 13 68.609 0.000 . 1 . . . . . 71 THR CB . 52490 1 261 . 1 . 1 71 71 THR N N 15 113.368 0.025 . 1 . . . . . 71 THR N . 52490 1 262 . 1 . 1 73 73 LEU H H 1 7.991 0.002 . 1 . . . . . 73 LEU H . 52490 1 263 . 1 . 1 73 73 LEU C C 13 178.286 0.000 . 1 . . . . . 73 LEU C . 52490 1 264 . 1 . 1 73 73 LEU CA C 13 58.046 0.076 . 1 . . . . . 73 LEU CA . 52490 1 265 . 1 . 1 73 73 LEU CB C 13 41.482 0.000 . 1 . . . . . 73 LEU CB . 52490 1 266 . 1 . 1 73 73 LEU N N 15 120.377 0.000 . 1 . . . . . 73 LEU N . 52490 1 267 . 1 . 1 74 74 ASP H H 1 8.045 0.002 . 1 . . . . . 74 ASP H . 52490 1 268 . 1 . 1 74 74 ASP C C 13 177.803 0.000 . 1 . . . . . 74 ASP C . 52490 1 269 . 1 . 1 74 74 ASP CA C 13 57.298 0.087 . 1 . . . . . 74 ASP CA . 52490 1 270 . 1 . 1 74 74 ASP CB C 13 38.852 0.002 . 1 . . . . . 74 ASP CB . 52490 1 271 . 1 . 1 74 74 ASP N N 15 119.204 0.108 . 1 . . . . . 74 ASP N . 52490 1 272 . 1 . 1 75 75 MET H H 1 7.456 0.003 . 1 . . . . . 75 MET H . 52490 1 273 . 1 . 1 75 75 MET C C 13 176.759 0.000 . 1 . . . . . 75 MET C . 52490 1 274 . 1 . 1 75 75 MET CA C 13 59.490 0.051 . 1 . . . . . 75 MET CA . 52490 1 275 . 1 . 1 75 75 MET CB C 13 33.508 0.016 . 1 . . . . . 75 MET CB . 52490 1 276 . 1 . 1 75 75 MET N N 15 117.172 0.002 . 1 . . . . . 75 MET N . 52490 1 277 . 1 . 1 76 76 LEU H H 1 8.234 0.002 . 1 . . . . . 76 LEU H . 52490 1 278 . 1 . 1 76 76 LEU C C 13 177.401 0.005 . 1 . . . . . 76 LEU C . 52490 1 279 . 1 . 1 76 76 LEU CA C 13 57.974 0.041 . 1 . . . . . 76 LEU CA . 52490 1 280 . 1 . 1 76 76 LEU CB C 13 42.549 0.006 . 1 . . . . . 76 LEU CB . 52490 1 281 . 1 . 1 76 76 LEU N N 15 121.428 0.000 . 1 . . . . . 76 LEU N . 52490 1 282 . 1 . 1 77 77 ARG H H 1 8.778 0.004 . 1 . . . . . 77 ARG H . 52490 1 283 . 1 . 1 77 77 ARG C C 13 178.073 0.000 . 1 . . . . . 77 ARG C . 52490 1 284 . 1 . 1 77 77 ARG CA C 13 60.133 0.058 . 1 . . . . . 77 ARG CA . 52490 1 285 . 1 . 1 77 77 ARG CB C 13 29.240 0.000 . 1 . . . . . 77 ARG CB . 52490 1 286 . 1 . 1 77 77 ARG N N 15 119.524 0.078 . 1 . . . . . 77 ARG N . 52490 1 287 . 1 . 1 78 78 ASP C C 13 178.728 0.000 . 1 . . . . . 78 ASP C . 52490 1 288 . 1 . 1 78 78 ASP CA C 13 57.269 0.097 . 1 . . . . . 78 ASP CA . 52490 1 289 . 1 . 1 78 78 ASP CB C 13 39.375 0.000 . 1 . . . . . 78 ASP CB . 52490 1 290 . 1 . 1 79 79 ALA H H 1 7.689 0.002 . 1 . . . . . 79 ALA H . 52490 1 291 . 1 . 1 79 79 ALA C C 13 179.662 0.029 . 1 . . . . . 79 ALA C . 52490 1 292 . 1 . 1 79 79 ALA CA C 13 54.718 0.035 . 1 . . . . . 79 ALA CA . 52490 1 293 . 1 . 1 79 79 ALA CB C 13 19.428 0.139 . 1 . . . . . 79 ALA CB . 52490 1 294 . 1 . 1 79 79 ALA N N 15 122.218 0.019 . 1 . . . . . 79 ALA N . 52490 1 295 . 1 . 1 80 80 MET H H 1 8.050 0.006 . 1 . . . . . 80 MET H . 52490 1 296 . 1 . 1 80 80 MET C C 13 178.612 0.003 . 1 . . . . . 80 MET C . 52490 1 297 . 1 . 1 80 80 MET CA C 13 59.167 0.065 . 1 . . . . . 80 MET CA . 52490 1 298 . 1 . 1 80 80 MET CB C 13 34.578 0.002 . 1 . . . . . 80 MET CB . 52490 1 299 . 1 . 1 80 80 MET N N 15 116.101 0.140 . 1 . . . . . 80 MET N . 52490 1 300 . 1 . 1 81 81 VAL H H 1 8.555 0.002 . 1 . . . . . 81 VAL H . 52490 1 301 . 1 . 1 81 81 VAL CA C 13 66.562 0.114 . 1 . . . . . 81 VAL CA . 52490 1 302 . 1 . 1 81 81 VAL CB C 13 31.753 0.000 . 1 . . . . . 81 VAL CB . 52490 1 303 . 1 . 1 81 81 VAL N N 15 117.855 0.003 . 1 . . . . . 81 VAL N . 52490 1 304 . 1 . 1 82 82 ALA C C 13 179.300 0.000 . 1 . . . . . 82 ALA C . 52490 1 305 . 1 . 1 82 82 ALA CA C 13 54.430 0.000 . 1 . . . . . 82 ALA CA . 52490 1 306 . 1 . 1 82 82 ALA CB C 13 18.868 0.000 . 1 . . . . . 82 ALA CB . 52490 1 307 . 1 . 1 83 83 LYS H H 1 7.368 0.002 . 1 . . . . . 83 LYS H . 52490 1 308 . 1 . 1 83 83 LYS C C 13 178.105 0.044 . 1 . . . . . 83 LYS C . 52490 1 309 . 1 . 1 83 83 LYS CA C 13 55.226 0.044 . 1 . . . . . 83 LYS CA . 52490 1 310 . 1 . 1 83 83 LYS CB C 13 35.086 0.016 . 1 . . . . . 83 LYS CB . 52490 1 311 . 1 . 1 83 83 LYS N N 15 114.310 0.014 . 1 . . . . . 83 LYS N . 52490 1 312 . 1 . 1 84 84 VAL H H 1 7.895 0.002 . 1 . . . . . 84 VAL H . 52490 1 313 . 1 . 1 84 84 VAL C C 13 175.452 0.002 . 1 . . . . . 84 VAL C . 52490 1 314 . 1 . 1 84 84 VAL CA C 13 65.594 0.103 . 1 . . . . . 84 VAL CA . 52490 1 315 . 1 . 1 84 84 VAL CB C 13 31.399 0.002 . 1 . . . . . 84 VAL CB . 52490 1 316 . 1 . 1 84 84 VAL N N 15 122.014 0.002 . 1 . . . . . 84 VAL N . 52490 1 317 . 1 . 1 85 85 ASN H H 1 8.644 0.002 . 1 . . . . . 85 ASN H . 52490 1 318 . 1 . 1 85 85 ASN C C 13 176.304 0.008 . 1 . . . . . 85 ASN C . 52490 1 319 . 1 . 1 85 85 ASN CA C 13 55.211 0.009 . 1 . . . . . 85 ASN CA . 52490 1 320 . 1 . 1 85 85 ASN CB C 13 38.281 0.006 . 1 . . . . . 85 ASN CB . 52490 1 321 . 1 . 1 85 85 ASN N N 15 117.671 0.006 . 1 . . . . . 85 ASN N . 52490 1 322 . 1 . 1 86 86 THR H H 1 7.597 0.002 . 1 . . . . . 86 THR H . 52490 1 323 . 1 . 1 86 86 THR C C 13 174.248 0.003 . 1 . . . . . 86 THR C . 52490 1 324 . 1 . 1 86 86 THR CA C 13 61.033 0.089 . 1 . . . . . 86 THR CA . 52490 1 325 . 1 . 1 86 86 THR CB C 13 69.637 0.006 . 1 . . . . . 86 THR CB . 52490 1 326 . 1 . 1 86 86 THR N N 15 107.367 0.169 . 1 . . . . . 86 THR N . 52490 1 327 . 1 . 1 87 87 SER H H 1 7.522 0.002 . 1 . . . . . 87 SER H . 52490 1 328 . 1 . 1 87 87 SER C C 13 175.224 0.000 . 1 . . . . . 87 SER C . 52490 1 329 . 1 . 1 87 87 SER CA C 13 58.235 0.071 . 1 . . . . . 87 SER CA . 52490 1 330 . 1 . 1 87 87 SER CB C 13 64.871 0.000 . 1 . . . . . 87 SER CB . 52490 1 331 . 1 . 1 87 87 SER N N 15 116.004 0.074 . 1 . . . . . 87 SER N . 52490 1 332 . 1 . 1 89 89 GLY H H 1 7.917 0.001 . 1 . . . . . 89 GLY H . 52490 1 333 . 1 . 1 89 89 GLY C C 13 171.121 0.000 . 1 . . . . . 89 GLY C . 52490 1 334 . 1 . 1 89 89 GLY CA C 13 44.677 0.007 . 1 . . . . . 89 GLY CA . 52490 1 335 . 1 . 1 89 89 GLY N N 15 107.791 0.000 . 1 . . . . . 89 GLY N . 52490 1 336 . 1 . 1 90 90 PHE H H 1 8.882 0.004 . 1 . . . . . 90 PHE H . 52490 1 337 . 1 . 1 90 90 PHE C C 13 173.150 0.000 . 1 . . . . . 90 PHE C . 52490 1 338 . 1 . 1 90 90 PHE CA C 13 58.109 0.086 . 1 . . . . . 90 PHE CA . 52490 1 339 . 1 . 1 90 90 PHE CB C 13 43.090 0.000 . 1 . . . . . 90 PHE CB . 52490 1 340 . 1 . 1 90 90 PHE N N 15 118.051 0.006 . 1 . . . . . 90 PHE N . 52490 1 341 . 1 . 1 91 91 LEU H H 1 9.150 0.003 . 1 . . . . . 91 LEU H . 52490 1 342 . 1 . 1 91 91 LEU C C 13 174.380 0.000 . 1 . . . . . 91 LEU C . 52490 1 343 . 1 . 1 91 91 LEU CA C 13 52.800 0.186 . 1 . . . . . 91 LEU CA . 52490 1 344 . 1 . 1 91 91 LEU CB C 13 44.683 0.006 . 1 . . . . . 91 LEU CB . 52490 1 345 . 1 . 1 91 91 LEU N N 15 124.629 0.002 . 1 . . . . . 91 LEU N . 52490 1 346 . 1 . 1 92 92 ILE H H 1 9.474 0.002 . 1 . . . . . 92 ILE H . 52490 1 347 . 1 . 1 92 92 ILE C C 13 173.694 0.009 . 1 . . . . . 92 ILE C . 52490 1 348 . 1 . 1 92 92 ILE CA C 13 60.106 0.055 . 1 . . . . . 92 ILE CA . 52490 1 349 . 1 . 1 92 92 ILE CB C 13 37.739 0.000 . 1 . . . . . 92 ILE CB . 52490 1 350 . 1 . 1 92 92 ILE N N 15 126.836 0.001 . 1 . . . . . 92 ILE N . 52490 1 351 . 1 . 1 93 93 ASP H H 1 8.971 0.004 . 1 . . . . . 93 ASP H . 52490 1 352 . 1 . 1 93 93 ASP C C 13 176.099 0.000 . 1 . . . . . 93 ASP C . 52490 1 353 . 1 . 1 93 93 ASP CA C 13 52.659 0.022 . 1 . . . . . 93 ASP CA . 52490 1 354 . 1 . 1 93 93 ASP CB C 13 43.574 0.000 . 1 . . . . . 93 ASP CB . 52490 1 355 . 1 . 1 93 93 ASP N N 15 126.504 0.000 . 1 . . . . . 93 ASP N . 52490 1 356 . 1 . 1 96 96 PRO C C 13 177.302 0.000 . 1 . . . . . 96 PRO C . 52490 1 357 . 1 . 1 96 96 PRO CA C 13 62.521 0.116 . 1 . . . . . 96 PRO CA . 52490 1 358 . 1 . 1 98 98 GLU C C 13 177.350 0.000 . 1 . . . . . 98 GLU C . 52490 1 359 . 1 . 1 98 98 GLU CA C 13 53.747 0.000 . 1 . . . . . 98 GLU CA . 52490 1 360 . 1 . 1 98 98 GLU CB C 13 32.980 0.000 . 1 . . . . . 98 GLU CB . 52490 1 361 . 1 . 1 99 99 VAL H H 1 9.684 0.003 . 1 . . . . . 99 VAL H . 52490 1 362 . 1 . 1 99 99 VAL C C 13 178.770 0.063 . 1 . . . . . 99 VAL C . 52490 1 363 . 1 . 1 99 99 VAL CA C 13 68.263 0.127 . 1 . . . . . 99 VAL CA . 52490 1 364 . 1 . 1 99 99 VAL CB C 13 31.320 0.065 . 1 . . . . . 99 VAL CB . 52490 1 365 . 1 . 1 99 99 VAL N N 15 127.259 0.008 . 1 . . . . . 99 VAL N . 52490 1 366 . 1 . 1 100 100 GLN H H 1 9.386 0.002 . 1 . . . . . 100 GLN H . 52490 1 367 . 1 . 1 100 100 GLN C C 13 178.865 0.000 . 1 . . . . . 100 GLN C . 52490 1 368 . 1 . 1 100 100 GLN CA C 13 59.110 0.074 . 1 . . . . . 100 GLN CA . 52490 1 369 . 1 . 1 100 100 GLN CB C 13 27.682 0.005 . 1 . . . . . 100 GLN CB . 52490 1 370 . 1 . 1 100 100 GLN N N 15 119.383 0.037 . 1 . . . . . 100 GLN N . 52490 1 371 . 1 . 1 101 101 GLN H H 1 6.978 0.002 . 1 . . . . . 101 GLN H . 52490 1 372 . 1 . 1 101 101 GLN C C 13 180.905 0.000 . 1 . . . . . 101 GLN C . 52490 1 373 . 1 . 1 101 101 GLN CA C 13 59.170 0.013 . 1 . . . . . 101 GLN CA . 52490 1 374 . 1 . 1 101 101 GLN CB C 13 27.153 0.000 . 1 . . . . . 101 GLN CB . 52490 1 375 . 1 . 1 101 101 GLN N N 15 114.012 0.005 . 1 . . . . . 101 GLN N . 52490 1 376 . 1 . 1 102 102 GLY H H 1 7.687 0.006 . 1 . . . . . 102 GLY H . 52490 1 377 . 1 . 1 102 102 GLY CA C 13 43.312 0.061 . 1 . . . . . 102 GLY CA . 52490 1 378 . 1 . 1 102 102 GLY N N 15 112.053 0.126 . 1 . . . . . 102 GLY N . 52490 1 379 . 1 . 1 104 104 GLU C C 13 178.604 0.000 . 1 . . . . . 104 GLU C . 52490 1 380 . 1 . 1 104 104 GLU CA C 13 58.685 0.000 . 1 . . . . . 104 GLU CA . 52490 1 381 . 1 . 1 104 104 GLU CB C 13 29.810 0.000 . 1 . . . . . 104 GLU CB . 52490 1 382 . 1 . 1 105 105 PHE H H 1 7.821 0.001 . 1 . . . . . 105 PHE H . 52490 1 383 . 1 . 1 105 105 PHE C C 13 177.636 0.000 . 1 . . . . . 105 PHE C . 52490 1 384 . 1 . 1 105 105 PHE CA C 13 62.182 0.000 . 1 . . . . . 105 PHE CA . 52490 1 385 . 1 . 1 105 105 PHE CB C 13 39.925 0.000 . 1 . . . . . 105 PHE CB . 52490 1 386 . 1 . 1 105 105 PHE N N 15 120.259 0.004 . 1 . . . . . 105 PHE N . 52490 1 387 . 1 . 1 107 107 ARG C C 13 178.067 0.000 . 1 . . . . . 107 ARG C . 52490 1 388 . 1 . 1 107 107 ARG CA C 13 58.682 0.006 . 1 . . . . . 107 ARG CA . 52490 1 389 . 1 . 1 107 107 ARG CB C 13 31.398 0.000 . 1 . . . . . 107 ARG CB . 52490 1 390 . 1 . 1 108 108 ARG H H 1 7.892 0.002 . 1 . . . . . 108 ARG H . 52490 1 391 . 1 . 1 108 108 ARG C C 13 176.590 0.006 . 1 . . . . . 108 ARG C . 52490 1 392 . 1 . 1 108 108 ARG CA C 13 57.583 0.120 . 1 . . . . . 108 ARG CA . 52490 1 393 . 1 . 1 108 108 ARG CB C 13 32.447 0.005 . 1 . . . . . 108 ARG CB . 52490 1 394 . 1 . 1 108 108 ARG N N 15 113.805 0.007 . 1 . . . . . 108 ARG N . 52490 1 395 . 1 . 1 109 109 ILE H H 1 8.446 0.004 . 1 . . . . . 109 ILE H . 52490 1 396 . 1 . 1 109 109 ILE C C 13 174.671 0.000 . 1 . . . . . 109 ILE C . 52490 1 397 . 1 . 1 109 109 ILE CA C 13 63.216 0.037 . 1 . . . . . 109 ILE CA . 52490 1 398 . 1 . 1 109 109 ILE CB C 13 37.723 0.017 . 1 . . . . . 109 ILE CB . 52490 1 399 . 1 . 1 109 109 ILE N N 15 118.763 0.054 . 1 . . . . . 109 ILE N . 52490 1 400 . 1 . 1 110 110 GLY H H 1 7.398 0.002 . 1 . . . . . 110 GLY H . 52490 1 401 . 1 . 1 110 110 GLY C C 13 170.522 0.002 . 1 . . . . . 110 GLY C . 52490 1 402 . 1 . 1 110 110 GLY CA C 13 45.198 0.017 . 1 . . . . . 110 GLY CA . 52490 1 403 . 1 . 1 110 110 GLY N N 15 105.883 0.249 . 1 . . . . . 110 GLY N . 52490 1 404 . 1 . 1 111 111 GLN H H 1 8.386 0.002 . 1 . . . . . 111 GLN H . 52490 1 405 . 1 . 1 111 111 GLN C C 13 174.514 0.000 . 1 . . . . . 111 GLN C . 52490 1 406 . 1 . 1 111 111 GLN CA C 13 53.328 0.103 . 1 . . . . . 111 GLN CA . 52490 1 407 . 1 . 1 111 111 GLN CB C 13 29.785 0.000 . 1 . . . . . 111 GLN CB . 52490 1 408 . 1 . 1 111 111 GLN N N 15 116.728 0.035 . 1 . . . . . 111 GLN N . 52490 1 409 . 1 . 1 112 112 PRO C C 13 175.321 0.008 . 1 . . . . . 112 PRO C . 52490 1 410 . 1 . 1 112 112 PRO CA C 13 61.835 0.095 . 1 . . . . . 112 PRO CA . 52490 1 411 . 1 . 1 112 112 PRO CB C 13 30.696 0.066 . 1 . . . . . 112 PRO CB . 52490 1 412 . 1 . 1 113 113 THR H H 1 9.488 0.002 . 1 . . . . . 113 THR H . 52490 1 413 . 1 . 1 113 113 THR C C 13 173.369 0.004 . 1 . . . . . 113 THR C . 52490 1 414 . 1 . 1 113 113 THR CA C 13 64.589 0.114 . 1 . . . . . 113 THR CA . 52490 1 415 . 1 . 1 113 113 THR CB C 13 69.636 0.004 . 1 . . . . . 113 THR CB . 52490 1 416 . 1 . 1 113 113 THR N N 15 118.966 0.002 . 1 . . . . . 113 THR N . 52490 1 417 . 1 . 1 114 114 LEU H H 1 7.270 0.001 . 1 . . . . . 114 LEU H . 52490 1 418 . 1 . 1 114 114 LEU C C 13 173.144 0.001 . 1 . . . . . 114 LEU C . 52490 1 419 . 1 . 1 114 114 LEU CA C 13 53.862 0.087 . 1 . . . . . 114 LEU CA . 52490 1 420 . 1 . 1 114 114 LEU CB C 13 48.943 0.010 . 1 . . . . . 114 LEU CB . 52490 1 421 . 1 . 1 114 114 LEU N N 15 116.214 0.001 . 1 . . . . . 114 LEU N . 52490 1 422 . 1 . 1 115 115 LEU H H 1 8.471 0.001 . 1 . . . . . 115 LEU H . 52490 1 423 . 1 . 1 115 115 LEU C C 13 174.131 0.002 . 1 . . . . . 115 LEU C . 52490 1 424 . 1 . 1 115 115 LEU CA C 13 54.462 0.167 . 1 . . . . . 115 LEU CA . 52490 1 425 . 1 . 1 115 115 LEU CB C 13 44.139 0.003 . 1 . . . . . 115 LEU CB . 52490 1 426 . 1 . 1 115 115 LEU N N 15 126.163 0.006 . 1 . . . . . 115 LEU N . 52490 1 427 . 1 . 1 116 116 LEU H H 1 9.305 0.004 . 1 . . . . . 116 LEU H . 52490 1 428 . 1 . 1 116 116 LEU C C 13 172.910 0.004 . 1 . . . . . 116 LEU C . 52490 1 429 . 1 . 1 116 116 LEU CA C 13 53.396 0.144 . 1 . . . . . 116 LEU CA . 52490 1 430 . 1 . 1 116 116 LEU CB C 13 44.069 0.056 . 1 . . . . . 116 LEU CB . 52490 1 431 . 1 . 1 116 116 LEU N N 15 127.905 0.010 . 1 . . . . . 116 LEU N . 52490 1 432 . 1 . 1 117 117 TYR H H 1 8.781 0.002 . 1 . . . . . 117 TYR H . 52490 1 433 . 1 . 1 117 117 TYR C C 13 173.350 0.001 . 1 . . . . . 117 TYR C . 52490 1 434 . 1 . 1 117 117 TYR CA C 13 52.766 0.050 . 1 . . . . . 117 TYR CA . 52490 1 435 . 1 . 1 117 117 TYR CB C 13 38.837 0.007 . 1 . . . . . 117 TYR CB . 52490 1 436 . 1 . 1 117 117 TYR N N 15 128.697 0.003 . 1 . . . . . 117 TYR N . 52490 1 437 . 1 . 1 118 118 VAL H H 1 9.047 0.005 . 1 . . . . . 118 VAL H . 52490 1 438 . 1 . 1 118 118 VAL C C 13 172.876 0.038 . 1 . . . . . 118 VAL C . 52490 1 439 . 1 . 1 118 118 VAL CA C 13 62.210 0.019 . 1 . . . . . 118 VAL CA . 52490 1 440 . 1 . 1 118 118 VAL CB C 13 30.861 0.000 . 1 . . . . . 118 VAL CB . 52490 1 441 . 1 . 1 118 118 VAL N N 15 130.019 0.005 . 1 . . . . . 118 VAL N . 52490 1 442 . 1 . 1 119 119 ASP H H 1 8.034 0.002 . 1 . . . . . 119 ASP H . 52490 1 443 . 1 . 1 119 119 ASP C C 13 173.816 0.008 . 1 . . . . . 119 ASP C . 52490 1 444 . 1 . 1 119 119 ASP CA C 13 54.203 0.021 . 1 . . . . . 119 ASP CA . 52490 1 445 . 1 . 1 119 119 ASP CB C 13 41.482 0.000 . 1 . . . . . 119 ASP CB . 52490 1 446 . 1 . 1 119 119 ASP N N 15 125.091 0.010 . 1 . . . . . 119 ASP N . 52490 1 447 . 1 . 1 120 120 ALA H H 1 7.848 0.003 . 1 . . . . . 120 ALA H . 52490 1 448 . 1 . 1 120 120 ALA C C 13 175.279 0.048 . 1 . . . . . 120 ALA C . 52490 1 449 . 1 . 1 120 120 ALA CA C 13 49.954 0.019 . 1 . . . . . 120 ALA CA . 52490 1 450 . 1 . 1 120 120 ALA CB C 13 22.351 0.000 . 1 . . . . . 120 ALA CB . 52490 1 451 . 1 . 1 120 120 ALA N N 15 129.145 0.003 . 1 . . . . . 120 ALA N . 52490 1 452 . 1 . 1 121 121 GLY H H 1 8.889 0.003 . 1 . . . . . 121 GLY H . 52490 1 453 . 1 . 1 121 121 GLY C C 13 172.920 0.000 . 1 . . . . . 121 GLY C . 52490 1 454 . 1 . 1 121 121 GLY CA C 13 44.293 0.134 . 1 . . . . . 121 GLY CA . 52490 1 455 . 1 . 1 121 121 GLY N N 15 107.686 0.003 . 1 . . . . . 121 GLY N . 52490 1 456 . 1 . 1 122 122 PRO CA C 13 65.685 0.000 . 1 . . . . . 122 PRO CA . 52490 1 457 . 1 . 1 122 122 PRO CB C 13 31.413 0.000 . 1 . . . . . 122 PRO CB . 52490 1 458 . 1 . 1 123 123 GLU H H 1 8.805 0.002 . 1 . . . . . 123 GLU H . 52490 1 459 . 1 . 1 123 123 GLU C C 13 178.752 0.018 . 1 . . . . . 123 GLU C . 52490 1 460 . 1 . 1 123 123 GLU CA C 13 59.988 0.053 . 1 . . . . . 123 GLU CA . 52490 1 461 . 1 . 1 123 123 GLU CB C 13 28.203 0.003 . 1 . . . . . 123 GLU CB . 52490 1 462 . 1 . 1 123 123 GLU N N 15 121.536 0.048 . 1 . . . . . 123 GLU N . 52490 1 463 . 1 . 1 124 124 THR H H 1 7.713 0.002 . 1 . . . . . 124 THR H . 52490 1 464 . 1 . 1 124 124 THR C C 13 176.103 0.000 . 1 . . . . . 124 THR C . 52490 1 465 . 1 . 1 124 124 THR CA C 13 66.451 0.000 . 1 . . . . . 124 THR CA . 52490 1 466 . 1 . 1 124 124 THR CB C 13 68.006 0.001 . 1 . . . . . 124 THR CB . 52490 1 467 . 1 . 1 124 124 THR N N 15 119.029 0.071 . 1 . . . . . 124 THR N . 52490 1 468 . 1 . 1 125 125 MET H H 1 7.922 0.003 . 1 . . . . . 125 MET H . 52490 1 469 . 1 . 1 125 125 MET C C 13 177.304 0.003 . 1 . . . . . 125 MET C . 52490 1 470 . 1 . 1 125 125 MET CA C 13 61.065 0.079 . 1 . . . . . 125 MET CA . 52490 1 471 . 1 . 1 125 125 MET CB C 13 33.680 0.108 . 1 . . . . . 125 MET CB . 52490 1 472 . 1 . 1 125 125 MET N N 15 119.392 0.004 . 1 . . . . . 125 MET N . 52490 1 473 . 1 . 1 126 126 THR H H 1 8.007 0.003 . 1 . . . . . 126 THR H . 52490 1 474 . 1 . 1 126 126 THR C C 13 175.539 0.000 . 1 . . . . . 126 THR C . 52490 1 475 . 1 . 1 126 126 THR CA C 13 67.867 0.288 . 1 . . . . . 126 THR CA . 52490 1 476 . 1 . 1 126 126 THR CB C 13 68.783 0.000 . 1 . . . . . 126 THR CB . 52490 1 477 . 1 . 1 126 126 THR N N 15 113.436 0.013 . 1 . . . . . 126 THR N . 52490 1 478 . 1 . 1 127 127 GLN H H 1 7.920 0.002 . 1 . . . . . 127 GLN H . 52490 1 479 . 1 . 1 127 127 GLN C C 13 179.407 0.023 . 1 . . . . . 127 GLN C . 52490 1 480 . 1 . 1 127 127 GLN CA C 13 59.149 0.049 . 1 . . . . . 127 GLN CA . 52490 1 481 . 1 . 1 127 127 GLN CB C 13 28.216 0.007 . 1 . . . . . 127 GLN CB . 52490 1 482 . 1 . 1 127 127 GLN N N 15 118.665 0.002 . 1 . . . . . 127 GLN N . 52490 1 483 . 1 . 1 128 128 ARG H H 1 8.085 0.002 . 1 . . . . . 128 ARG H . 52490 1 484 . 1 . 1 128 128 ARG CA C 13 59.939 0.006 . 1 . . . . . 128 ARG CA . 52490 1 485 . 1 . 1 128 128 ARG CB C 13 30.323 0.000 . 1 . . . . . 128 ARG CB . 52490 1 486 . 1 . 1 128 128 ARG N N 15 118.426 0.005 . 1 . . . . . 128 ARG N . 52490 1 487 . 1 . 1 129 129 LEU C C 13 179.592 0.000 . 1 . . . . . 129 LEU C . 52490 1 488 . 1 . 1 130 130 LEU H H 1 8.492 0.002 . 1 . . . . . 130 LEU H . 52490 1 489 . 1 . 1 130 130 LEU C C 13 180.259 0.000 . 1 . . . . . 130 LEU C . 52490 1 490 . 1 . 1 130 130 LEU CA C 13 57.716 0.000 . 1 . . . . . 130 LEU CA . 52490 1 491 . 1 . 1 130 130 LEU CB C 13 41.919 0.119 . 1 . . . . . 130 LEU CB . 52490 1 492 . 1 . 1 130 130 LEU N N 15 121.438 0.042 . 1 . . . . . 130 LEU N . 52490 1 493 . 1 . 1 132 132 ARG H H 1 8.167 0.000 . 1 . . . . . 132 ARG H . 52490 1 494 . 1 . 1 132 132 ARG C C 13 175.992 0.000 . 1 . . . . . 132 ARG C . 52490 1 495 . 1 . 1 132 132 ARG CA C 13 56.396 0.038 . 1 . . . . . 132 ARG CA . 52490 1 496 . 1 . 1 132 132 ARG CB C 13 32.493 0.000 . 1 . . . . . 132 ARG CB . 52490 1 497 . 1 . 1 132 132 ARG N N 15 118.608 0.000 . 1 . . . . . 132 ARG N . 52490 1 498 . 1 . 1 133 133 GLY H H 1 7.918 0.002 . 1 . . . . . 133 GLY H . 52490 1 499 . 1 . 1 133 133 GLY N N 15 107.797 0.007 . 1 . . . . . 133 GLY N . 52490 1 500 . 1 . 1 138 138 ARG C C 13 180.541 0.005 . 1 . . . . . 138 ARG C . 52490 1 501 . 1 . 1 138 138 ARG CA C 13 58.666 0.114 . 1 . . . . . 138 ARG CA . 52490 1 502 . 1 . 1 138 138 ARG CB C 13 28.775 0.014 . 1 . . . . . 138 ARG CB . 52490 1 503 . 1 . 1 139 139 VAL H H 1 8.301 0.003 . 1 . . . . . 139 VAL H . 52490 1 504 . 1 . 1 139 139 VAL C C 13 179.588 0.100 . 1 . . . . . 139 VAL C . 52490 1 505 . 1 . 1 139 139 VAL CA C 13 67.299 0.176 . 1 . . . . . 139 VAL CA . 52490 1 506 . 1 . 1 139 139 VAL CB C 13 31.900 0.032 . 1 . . . . . 139 VAL CB . 52490 1 507 . 1 . 1 139 139 VAL N N 15 121.436 0.006 . 1 . . . . . 139 VAL N . 52490 1 508 . 1 . 1 140 140 ASP H H 1 8.315 0.002 . 1 . . . . . 140 ASP H . 52490 1 509 . 1 . 1 140 140 ASP C C 13 178.752 0.000 . 1 . . . . . 140 ASP C . 52490 1 510 . 1 . 1 140 140 ASP CA C 13 57.418 0.016 . 1 . . . . . 140 ASP CA . 52490 1 511 . 1 . 1 140 140 ASP CB C 13 40.391 0.033 . 1 . . . . . 140 ASP CB . 52490 1 512 . 1 . 1 140 140 ASP N N 15 117.217 0.004 . 1 . . . . . 140 ASP N . 52490 1 513 . 1 . 1 141 141 ASP H H 1 8.248 0.002 . 1 . . . . . 141 ASP H . 52490 1 514 . 1 . 1 141 141 ASP C C 13 179.690 0.523 . 1 . . . . . 141 ASP C . 52490 1 515 . 1 . 1 141 141 ASP CA C 13 58.178 0.005 . 1 . . . . . 141 ASP CA . 52490 1 516 . 1 . 1 141 141 ASP CB C 13 41.670 0.153 . 1 . . . . . 141 ASP CB . 52490 1 517 . 1 . 1 141 141 ASP N N 15 121.659 0.007 . 1 . . . . . 141 ASP N . 52490 1 518 . 1 . 1 142 142 ASN H H 1 8.238 0.001 . 1 . . . . . 142 ASN H . 52490 1 519 . 1 . 1 142 142 ASN C C 13 178.945 0.000 . 1 . . . . . 142 ASN C . 52490 1 520 . 1 . 1 142 142 ASN CA C 13 58.178 0.000 . 1 . . . . . 142 ASN CA . 52490 1 521 . 1 . 1 142 142 ASN CB C 13 41.468 0.000 . 1 . . . . . 142 ASN CB . 52490 1 522 . 1 . 1 142 142 ASN N N 15 120.372 0.011 . 1 . . . . . 142 ASN N . 52490 1 523 . 1 . 1 144 144 GLU C C 13 179.085 0.000 . 1 . . . . . 144 GLU C . 52490 1 524 . 1 . 1 144 144 GLU CA C 13 59.398 0.000 . 1 . . . . . 144 GLU CA . 52490 1 525 . 1 . 1 144 144 GLU CB C 13 28.730 0.000 . 1 . . . . . 144 GLU CB . 52490 1 526 . 1 . 1 145 145 THR H H 1 8.177 0.001 . 1 . . . . . 145 THR H . 52490 1 527 . 1 . 1 145 145 THR CA C 13 66.183 0.000 . 1 . . . . . 145 THR CA . 52490 1 528 . 1 . 1 145 145 THR CB C 13 68.045 0.000 . 1 . . . . . 145 THR CB . 52490 1 529 . 1 . 1 145 145 THR N N 15 116.846 0.014 . 1 . . . . . 145 THR N . 52490 1 530 . 1 . 1 146 146 ILE C C 13 177.911 0.015 . 1 . . . . . 146 ILE C . 52490 1 531 . 1 . 1 146 146 ILE CA C 13 62.939 0.000 . 1 . . . . . 146 ILE CA . 52490 1 532 . 1 . 1 149 149 ARG C C 13 180.359 0.000 . 1 . . . . . 149 ARG C . 52490 1 533 . 1 . 1 149 149 ARG CA C 13 59.692 0.002 . 1 . . . . . 149 ARG CA . 52490 1 534 . 1 . 1 149 149 ARG CB C 13 30.770 0.000 . 1 . . . . . 149 ARG CB . 52490 1 535 . 1 . 1 150 150 LEU H H 1 8.681 0.002 . 1 . . . . . 150 LEU H . 52490 1 536 . 1 . 1 150 150 LEU C C 13 177.884 0.000 . 1 . . . . . 150 LEU C . 52490 1 537 . 1 . 1 150 150 LEU CA C 13 58.604 0.084 . 1 . . . . . 150 LEU CA . 52490 1 538 . 1 . 1 150 150 LEU CB C 13 41.389 0.000 . 1 . . . . . 150 LEU CB . 52490 1 539 . 1 . 1 150 150 LEU N N 15 121.979 0.260 . 1 . . . . . 150 LEU N . 52490 1 540 . 1 . 1 152 152 THR H H 1 8.432 0.003 . 1 . . . . . 152 THR H . 52490 1 541 . 1 . 1 152 152 THR C C 13 175.788 0.000 . 1 . . . . . 152 THR C . 52490 1 542 . 1 . 1 152 152 THR CA C 13 66.693 0.000 . 1 . . . . . 152 THR CA . 52490 1 543 . 1 . 1 152 152 THR CB C 13 69.102 0.000 . 1 . . . . . 152 THR CB . 52490 1 544 . 1 . 1 152 152 THR N N 15 117.385 0.012 . 1 . . . . . 152 THR N . 52490 1 545 . 1 . 1 153 153 TYR H H 1 7.938 0.003 . 1 . . . . . 153 TYR H . 52490 1 546 . 1 . 1 153 153 TYR CA C 13 61.673 0.000 . 1 . . . . . 153 TYR CA . 52490 1 547 . 1 . 1 153 153 TYR CB C 13 37.414 0.000 . 1 . . . . . 153 TYR CB . 52490 1 548 . 1 . 1 153 153 TYR N N 15 122.917 0.004 . 1 . . . . . 153 TYR N . 52490 1 549 . 1 . 1 154 154 TYR H H 1 8.085 0.000 . 1 . . . . . 154 TYR H . 52490 1 550 . 1 . 1 154 154 TYR C C 13 174.453 0.000 . 1 . . . . . 154 TYR C . 52490 1 551 . 1 . 1 154 154 TYR N N 15 121.077 0.000 . 1 . . . . . 154 TYR N . 52490 1 552 . 1 . 1 155 155 LYS H H 1 8.009 0.002 . 1 . . . . . 155 LYS H . 52490 1 553 . 1 . 1 155 155 LYS C C 13 178.091 0.000 . 1 . . . . . 155 LYS C . 52490 1 554 . 1 . 1 155 155 LYS CA C 13 60.624 0.000 . 1 . . . . . 155 LYS CA . 52490 1 555 . 1 . 1 155 155 LYS CB C 13 31.970 0.000 . 1 . . . . . 155 LYS CB . 52490 1 556 . 1 . 1 155 155 LYS N N 15 117.507 0.002 . 1 . . . . . 155 LYS N . 52490 1 557 . 1 . 1 156 156 ALA H H 1 7.507 0.002 . 1 . . . . . 156 ALA H . 52490 1 558 . 1 . 1 156 156 ALA CA C 13 54.348 0.000 . 1 . . . . . 156 ALA CA . 52490 1 559 . 1 . 1 156 156 ALA CB C 13 19.051 0.000 . 1 . . . . . 156 ALA CB . 52490 1 560 . 1 . 1 156 156 ALA N N 15 119.502 0.002 . 1 . . . . . 156 ALA N . 52490 1 561 . 1 . 1 157 157 THR H H 1 7.729 0.000 . 1 . . . . . 157 THR H . 52490 1 562 . 1 . 1 157 157 THR N N 15 113.052 0.000 . 1 . . . . . 157 THR N . 52490 1 563 . 1 . 1 160 160 VAL CA C 13 66.666 0.000 . 1 . . . . . 160 VAL CA . 52490 1 564 . 1 . 1 160 160 VAL CB C 13 31.963 0.000 . 1 . . . . . 160 VAL CB . 52490 1 565 . 1 . 1 161 161 ILE H H 1 7.508 0.005 . 1 . . . . . 161 ILE H . 52490 1 566 . 1 . 1 161 161 ILE CA C 13 58.468 0.006 . 1 . . . . . 161 ILE CA . 52490 1 567 . 1 . 1 161 161 ILE N N 15 118.845 0.007 . 1 . . . . . 161 ILE N . 52490 1 568 . 1 . 1 162 162 ALA C C 13 180.026 0.007 . 1 . . . . . 162 ALA C . 52490 1 569 . 1 . 1 162 162 ALA CA C 13 55.133 0.148 . 1 . . . . . 162 ALA CA . 52490 1 570 . 1 . 1 162 162 ALA CB C 13 18.230 0.106 . 1 . . . . . 162 ALA CB . 52490 1 571 . 1 . 1 163 163 PHE H H 1 7.590 0.002 . 1 . . . . . 163 PHE H . 52490 1 572 . 1 . 1 163 163 PHE C C 13 177.855 0.008 . 1 . . . . . 163 PHE C . 52490 1 573 . 1 . 1 163 163 PHE CA C 13 61.165 0.020 . 1 . . . . . 163 PHE CA . 52490 1 574 . 1 . 1 163 163 PHE CB C 13 39.850 0.016 . 1 . . . . . 163 PHE CB . 52490 1 575 . 1 . 1 163 163 PHE N N 15 118.338 0.084 . 1 . . . . . 163 PHE N . 52490 1 576 . 1 . 1 164 164 TYR H H 1 7.894 0.003 . 1 . . . . . 164 TYR H . 52490 1 577 . 1 . 1 164 164 TYR C C 13 178.750 0.011 . 1 . . . . . 164 TYR C . 52490 1 578 . 1 . 1 164 164 TYR CA C 13 62.863 0.094 . 1 . . . . . 164 TYR CA . 52490 1 579 . 1 . 1 164 164 TYR CB C 13 38.822 0.003 . 1 . . . . . 164 TYR CB . 52490 1 580 . 1 . 1 164 164 TYR N N 15 115.977 0.005 . 1 . . . . . 164 TYR N . 52490 1 581 . 1 . 1 165 165 GLU H H 1 9.166 0.002 . 1 . . . . . 165 GLU H . 52490 1 582 . 1 . 1 165 165 GLU C C 13 180.691 0.001 . 1 . . . . . 165 GLU C . 52490 1 583 . 1 . 1 165 165 GLU CA C 13 59.142 0.068 . 1 . . . . . 165 GLU CA . 52490 1 584 . 1 . 1 165 165 GLU CB C 13 28.740 0.003 . 1 . . . . . 165 GLU CB . 52490 1 585 . 1 . 1 165 165 GLU N N 15 125.742 0.002 . 1 . . . . . 165 GLU N . 52490 1 586 . 1 . 1 166 166 LYS H H 1 7.253 0.001 . 1 . . . . . 166 LYS H . 52490 1 587 . 1 . 1 166 166 LYS C C 13 177.630 0.000 . 1 . . . . . 166 LYS C . 52490 1 588 . 1 . 1 166 166 LYS CA C 13 58.596 0.087 . 1 . . . . . 166 LYS CA . 52490 1 589 . 1 . 1 166 166 LYS CB C 13 31.936 0.000 . 1 . . . . . 166 LYS CB . 52490 1 590 . 1 . 1 166 166 LYS N N 15 118.262 0.061 . 1 . . . . . 166 LYS N . 52490 1 591 . 1 . 1 167 167 ARG H H 1 6.999 0.008 . 1 . . . . . 167 ARG H . 52490 1 592 . 1 . 1 167 167 ARG C C 13 177.190 0.004 . 1 . . . . . 167 ARG C . 52490 1 593 . 1 . 1 167 167 ARG CA C 13 55.739 0.073 . 1 . . . . . 167 ARG CA . 52490 1 594 . 1 . 1 167 167 ARG CB C 13 31.380 0.006 . 1 . . . . . 167 ARG CB . 52490 1 595 . 1 . 1 167 167 ARG N N 15 115.205 0.004 . 1 . . . . . 167 ARG N . 52490 1 596 . 1 . 1 168 168 GLY H H 1 7.775 0.004 . 1 . . . . . 168 GLY H . 52490 1 597 . 1 . 1 168 168 GLY C C 13 176.352 0.011 . 1 . . . . . 168 GLY C . 52490 1 598 . 1 . 1 168 168 GLY CA C 13 46.348 0.038 . 1 . . . . . 168 GLY CA . 52490 1 599 . 1 . 1 168 168 GLY N N 15 105.859 0.134 . 1 . . . . . 168 GLY N . 52490 1 600 . 1 . 1 169 169 ILE H H 1 6.724 0.002 . 1 . . . . . 169 ILE H . 52490 1 601 . 1 . 1 169 169 ILE C C 13 174.567 0.003 . 1 . . . . . 169 ILE C . 52490 1 602 . 1 . 1 169 169 ILE CA C 13 61.532 0.105 . 1 . . . . . 169 ILE CA . 52490 1 603 . 1 . 1 169 169 ILE CB C 13 39.398 0.028 . 1 . . . . . 169 ILE CB . 52490 1 604 . 1 . 1 169 169 ILE N N 15 108.167 0.002 . 1 . . . . . 169 ILE N . 52490 1 605 . 1 . 1 170 170 VAL H H 1 7.983 0.005 . 1 . . . . . 170 VAL H . 52490 1 606 . 1 . 1 170 170 VAL C C 13 177.116 0.032 . 1 . . . . . 170 VAL C . 52490 1 607 . 1 . 1 170 170 VAL CA C 13 63.137 0.043 . 1 . . . . . 170 VAL CA . 52490 1 608 . 1 . 1 170 170 VAL CB C 13 32.446 0.012 . 1 . . . . . 170 VAL CB . 52490 1 609 . 1 . 1 170 170 VAL N N 15 122.648 0.008 . 1 . . . . . 170 VAL N . 52490 1 610 . 1 . 1 171 171 ARG H H 1 9.029 0.001 . 1 . . . . . 171 ARG H . 52490 1 611 . 1 . 1 171 171 ARG C C 13 173.871 0.010 . 1 . . . . . 171 ARG C . 52490 1 612 . 1 . 1 171 171 ARG CA C 13 52.495 0.089 . 1 . . . . . 171 ARG CA . 52490 1 613 . 1 . 1 171 171 ARG CB C 13 28.756 0.014 . 1 . . . . . 171 ARG CB . 52490 1 614 . 1 . 1 171 171 ARG N N 15 128.897 0.001 . 1 . . . . . 171 ARG N . 52490 1 615 . 1 . 1 172 172 LYS H H 1 8.883 0.001 . 1 . . . . . 172 LYS H . 52490 1 616 . 1 . 1 172 172 LYS C C 13 176.096 0.001 . 1 . . . . . 172 LYS C . 52490 1 617 . 1 . 1 172 172 LYS CA C 13 56.405 0.034 . 1 . . . . . 172 LYS CA . 52490 1 618 . 1 . 1 172 172 LYS CB C 13 33.572 0.000 . 1 . . . . . 172 LYS CB . 52490 1 619 . 1 . 1 172 172 LYS N N 15 125.626 0.005 . 1 . . . . . 172 LYS N . 52490 1 620 . 1 . 1 173 173 VAL H H 1 9.098 0.004 . 1 . . . . . 173 VAL H . 52490 1 621 . 1 . 1 173 173 VAL C C 13 173.790 0.012 . 1 . . . . . 173 VAL C . 52490 1 622 . 1 . 1 173 173 VAL CA C 13 60.134 0.052 . 1 . . . . . 173 VAL CA . 52490 1 623 . 1 . 1 173 173 VAL CB C 13 34.278 0.218 . 1 . . . . . 173 VAL CB . 52490 1 624 . 1 . 1 173 173 VAL N N 15 124.663 0.002 . 1 . . . . . 173 VAL N . 52490 1 625 . 1 . 1 174 174 ASN H H 1 8.951 0.002 . 1 . . . . . 174 ASN H . 52490 1 626 . 1 . 1 174 174 ASN C C 13 175.847 0.014 . 1 . . . . . 174 ASN C . 52490 1 627 . 1 . 1 174 174 ASN CA C 13 53.319 0.115 . 1 . . . . . 174 ASN CA . 52490 1 628 . 1 . 1 174 174 ASN CB C 13 37.819 0.020 . 1 . . . . . 174 ASN CB . 52490 1 629 . 1 . 1 174 174 ASN N N 15 124.811 0.144 . 1 . . . . . 174 ASN N . 52490 1 630 . 1 . 1 175 175 ALA H H 1 8.462 0.007 . 1 . . . . . 175 ALA H . 52490 1 631 . 1 . 1 175 175 ALA C C 13 177.349 0.017 . 1 . . . . . 175 ALA C . 52490 1 632 . 1 . 1 175 175 ALA CA C 13 51.663 0.019 . 1 . . . . . 175 ALA CA . 52490 1 633 . 1 . 1 175 175 ALA CB C 13 20.245 0.009 . 1 . . . . . 175 ALA CB . 52490 1 634 . 1 . 1 175 175 ALA N N 15 128.671 0.177 . 1 . . . . . 175 ALA N . 52490 1 635 . 1 . 1 176 176 GLU H H 1 8.166 0.003 . 1 . . . . . 176 GLU H . 52490 1 636 . 1 . 1 176 176 GLU C C 13 176.398 0.038 . 1 . . . . . 176 GLU C . 52490 1 637 . 1 . 1 176 176 GLU CA C 13 57.540 0.179 . 1 . . . . . 176 GLU CA . 52490 1 638 . 1 . 1 176 176 GLU CB C 13 29.353 0.037 . 1 . . . . . 176 GLU CB . 52490 1 639 . 1 . 1 176 176 GLU N N 15 117.899 0.006 . 1 . . . . . 176 GLU N . 52490 1 640 . 1 . 1 177 177 GLY H H 1 7.679 0.002 . 1 . . . . . 177 GLY H . 52490 1 641 . 1 . 1 177 177 GLY C C 13 171.973 0.016 . 1 . . . . . 177 GLY C . 52490 1 642 . 1 . 1 177 177 GLY CA C 13 44.138 0.032 . 1 . . . . . 177 GLY CA . 52490 1 643 . 1 . 1 177 177 GLY N N 15 107.098 0.267 . 1 . . . . . 177 GLY N . 52490 1 644 . 1 . 1 178 178 SER H H 1 8.444 0.001 . 1 . . . . . 178 SER H . 52490 1 645 . 1 . 1 178 178 SER C C 13 174.778 0.012 . 1 . . . . . 178 SER C . 52490 1 646 . 1 . 1 178 178 SER CA C 13 57.570 0.115 . 1 . . . . . 178 SER CA . 52490 1 647 . 1 . 1 178 178 SER CB C 13 64.911 0.025 . 1 . . . . . 178 SER CB . 52490 1 648 . 1 . 1 178 178 SER N N 15 113.891 0.045 . 1 . . . . . 178 SER N . 52490 1 649 . 1 . 1 179 179 VAL H H 1 8.717 0.003 . 1 . . . . . 179 VAL H . 52490 1 650 . 1 . 1 179 179 VAL C C 13 178.842 0.000 . 1 . . . . . 179 VAL C . 52490 1 651 . 1 . 1 179 179 VAL CA C 13 67.252 0.064 . 1 . . . . . 179 VAL CA . 52490 1 652 . 1 . 1 179 179 VAL CB C 13 31.917 0.000 . 1 . . . . . 179 VAL CB . 52490 1 653 . 1 . 1 179 179 VAL N N 15 121.190 0.105 . 1 . . . . . 179 VAL N . 52490 1 654 . 1 . 1 180 180 ASP C C 13 178.386 0.000 . 1 . . . . . 180 ASP C . 52490 1 655 . 1 . 1 180 180 ASP CA C 13 57.429 0.000 . 1 . . . . . 180 ASP CA . 52490 1 656 . 1 . 1 180 180 ASP CB C 13 40.412 0.000 . 1 . . . . . 180 ASP CB . 52490 1 657 . 1 . 1 181 181 SER H H 1 8.123 0.001 . 1 . . . . . 181 SER H . 52490 1 658 . 1 . 1 181 181 SER C C 13 178.229 0.052 . 1 . . . . . 181 SER C . 52490 1 659 . 1 . 1 181 181 SER CA C 13 61.676 0.016 . 1 . . . . . 181 SER CA . 52490 1 660 . 1 . 1 181 181 SER CB C 13 62.758 0.002 . 1 . . . . . 181 SER CB . 52490 1 661 . 1 . 1 181 181 SER N N 15 119.651 0.207 . 1 . . . . . 181 SER N . 52490 1 662 . 1 . 1 182 182 VAL H H 1 8.519 0.001 . 1 . . . . . 182 VAL H . 52490 1 663 . 1 . 1 182 182 VAL C C 13 178.395 0.000 . 1 . . . . . 182 VAL C . 52490 1 664 . 1 . 1 182 182 VAL CA C 13 66.706 0.183 . 1 . . . . . 182 VAL CA . 52490 1 665 . 1 . 1 182 182 VAL CB C 13 32.358 0.086 . 1 . . . . . 182 VAL CB . 52490 1 666 . 1 . 1 182 182 VAL N N 15 125.180 0.002 . 1 . . . . . 182 VAL N . 52490 1 667 . 1 . 1 183 183 PHE H H 1 8.529 0.002 . 1 . . . . . 183 PHE H . 52490 1 668 . 1 . 1 183 183 PHE C C 13 178.630 0.008 . 1 . . . . . 183 PHE C . 52490 1 669 . 1 . 1 183 183 PHE CA C 13 60.112 0.167 . 1 . . . . . 183 PHE CA . 52490 1 670 . 1 . 1 183 183 PHE CB C 13 38.832 0.003 . 1 . . . . . 183 PHE CB . 52490 1 671 . 1 . 1 183 183 PHE N N 15 120.814 0.004 . 1 . . . . . 183 PHE N . 52490 1 672 . 1 . 1 184 184 SER H H 1 8.319 0.003 . 1 . . . . . 184 SER H . 52490 1 673 . 1 . 1 184 184 SER CA C 13 62.433 0.000 . 1 . . . . . 184 SER CA . 52490 1 674 . 1 . 1 184 184 SER CB C 13 69.069 0.000 . 1 . . . . . 184 SER CB . 52490 1 675 . 1 . 1 184 184 SER N N 15 115.226 0.007 . 1 . . . . . 184 SER N . 52490 1 676 . 1 . 1 187 187 CYS H H 1 8.292 0.003 . 1 . . . . . 187 CYS H . 52490 1 677 . 1 . 1 187 187 CYS C C 13 175.993 0.000 . 1 . . . . . 187 CYS C . 52490 1 678 . 1 . 1 187 187 CYS CA C 13 63.236 0.034 . 1 . . . . . 187 CYS CA . 52490 1 679 . 1 . 1 187 187 CYS CB C 13 26.627 0.003 . 1 . . . . . 187 CYS CB . 52490 1 680 . 1 . 1 187 187 CYS N N 15 116.206 0.111 . 1 . . . . . 187 CYS N . 52490 1 681 . 1 . 1 188 188 THR H H 1 7.364 0.002 . 1 . . . . . 188 THR H . 52490 1 682 . 1 . 1 188 188 THR C C 13 176.662 0.000 . 1 . . . . . 188 THR C . 52490 1 683 . 1 . 1 188 188 THR CA C 13 66.443 0.009 . 1 . . . . . 188 THR CA . 52490 1 684 . 1 . 1 188 188 THR CB C 13 68.574 0.011 . 1 . . . . . 188 THR CB . 52490 1 685 . 1 . 1 188 188 THR N N 15 114.781 0.002 . 1 . . . . . 188 THR N . 52490 1 686 . 1 . 1 189 189 HIS H H 1 6.903 0.002 . 1 . . . . . 189 HIS H . 52490 1 687 . 1 . 1 189 189 HIS C C 13 178.594 0.136 . 1 . . . . . 189 HIS C . 52490 1 688 . 1 . 1 189 189 HIS CA C 13 57.695 0.034 . 1 . . . . . 189 HIS CA . 52490 1 689 . 1 . 1 189 189 HIS CB C 13 30.694 0.151 . 1 . . . . . 189 HIS CB . 52490 1 690 . 1 . 1 189 189 HIS N N 15 117.540 0.003 . 1 . . . . . 189 HIS N . 52490 1 691 . 1 . 1 190 190 LEU H H 1 8.123 0.002 . 1 . . . . . 190 LEU H . 52490 1 692 . 1 . 1 190 190 LEU C C 13 180.199 0.000 . 1 . . . . . 190 LEU C . 52490 1 693 . 1 . 1 190 190 LEU CA C 13 57.297 0.109 . 1 . . . . . 190 LEU CA . 52490 1 694 . 1 . 1 190 190 LEU CB C 13 39.889 0.011 . 1 . . . . . 190 LEU CB . 52490 1 695 . 1 . 1 190 190 LEU N N 15 119.421 0.041 . 1 . . . . . 190 LEU N . 52490 1 696 . 1 . 1 191 191 ASP H H 1 9.048 0.001 . 1 . . . . . 191 ASP H . 52490 1 697 . 1 . 1 191 191 ASP C C 13 177.193 0.005 . 1 . . . . . 191 ASP C . 52490 1 698 . 1 . 1 191 191 ASP CA C 13 56.757 0.093 . 1 . . . . . 191 ASP CA . 52490 1 699 . 1 . 1 191 191 ASP CB C 13 39.887 0.002 . 1 . . . . . 191 ASP CB . 52490 1 700 . 1 . 1 191 191 ASP N N 15 121.055 0.179 . 1 . . . . . 191 ASP N . 52490 1 701 . 1 . 1 192 192 ALA H H 1 6.902 0.002 . 1 . . . . . 192 ALA H . 52490 1 702 . 1 . 1 192 192 ALA C C 13 177.812 0.031 . 1 . . . . . 192 ALA C . 52490 1 703 . 1 . 1 192 192 ALA CA C 13 52.610 0.048 . 1 . . . . . 192 ALA CA . 52490 1 704 . 1 . 1 192 192 ALA CB C 13 19.195 0.013 . 1 . . . . . 192 ALA CB . 52490 1 705 . 1 . 1 192 192 ALA N N 15 118.981 0.004 . 1 . . . . . 192 ALA N . 52490 1 706 . 1 . 1 193 193 LEU H H 1 7.246 0.001 . 1 . . . . . 193 LEU H . 52490 1 707 . 1 . 1 193 193 LEU C C 13 176.081 0.016 . 1 . . . . . 193 LEU C . 52490 1 708 . 1 . 1 193 193 LEU CA C 13 54.999 0.024 . 1 . . . . . 193 LEU CA . 52490 1 709 . 1 . 1 193 193 LEU CB C 13 41.603 0.003 . 1 . . . . . 193 LEU CB . 52490 1 710 . 1 . 1 193 193 LEU N N 15 118.707 0.018 . 1 . . . . . 193 LEU N . 52490 1 711 . 1 . 1 194 194 LYS H H 1 7.854 0.001 . 1 . . . . . 194 LYS H . 52490 1 712 . 1 . 1 194 194 LYS C C 13 178.271 0.000 . 1 . . . . . 194 LYS C . 52490 1 713 . 1 . 1 194 194 LYS CA C 13 57.915 0.000 . 1 . . . . . 194 LYS CA . 52490 1 714 . 1 . 1 194 194 LYS CB C 13 33.519 0.000 . 1 . . . . . 194 LYS CB . 52490 1 715 . 1 . 1 194 194 LYS N N 15 127.317 0.013 . 1 . . . . . 194 LYS N . 52490 1 stop_ save_