################################### # 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 50649 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 50649 1 2 '3D HNCACB' . . . 50649 1 3 '3D HN(CO)CACB' . . . 50649 1 4 '3D HNCO' . . . 50649 1 5 '3D HN(CA)CO' . . . 50649 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 . . 50649 1 2 $software_2 . . 50649 1 3 $software_3 . . 50649 1 4 $software_4 . . 50649 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 11 11 SER C C 13 172.71 0.4 . 1 . . . . . 11 SER C . 50649 1 2 . 1 . 1 11 11 SER CA C 13 62.41 0.4 . 1 . . . . . 11 SER CA . 50649 1 3 . 1 . 1 12 12 SER H H 1 8.21 0.04 . 1 . . . . . 12 SER H . 50649 1 4 . 1 . 1 12 12 SER C C 13 173.59 0.4 . 1 . . . . . 12 SER C . 50649 1 5 . 1 . 1 12 12 SER CA C 13 63.35 0.4 . 1 . . . . . 12 SER CA . 50649 1 6 . 1 . 1 12 12 SER CB C 13 61.76 0.4 . 1 . . . . . 12 SER CB . 50649 1 7 . 1 . 1 12 12 SER N N 15 119.70 0.2 . 1 . . . . . 12 SER N . 50649 1 8 . 1 . 1 13 13 TRP H H 1 8.94 0.04 . 1 . . . . . 13 TRP H . 50649 1 9 . 1 . 1 13 13 TRP C C 13 175.12 0.4 . 1 . . . . . 13 TRP C . 50649 1 10 . 1 . 1 13 13 TRP CA C 13 59.64 0.4 . 1 . . . . . 13 TRP CA . 50649 1 11 . 1 . 1 13 13 TRP CB C 13 28.96 0.4 . 1 . . . . . 13 TRP CB . 50649 1 12 . 1 . 1 13 13 TRP N N 15 121.71 0.2 . 1 . . . . . 13 TRP N . 50649 1 13 . 1 . 1 14 14 THR H H 1 7.89 0.04 . 1 . . . . . 14 THR H . 50649 1 14 . 1 . 1 14 14 THR C C 13 174.09 0.4 . 1 . . . . . 14 THR C . 50649 1 15 . 1 . 1 14 14 THR CA C 13 66.57 0.4 . 1 . . . . . 14 THR CA . 50649 1 16 . 1 . 1 14 14 THR CB C 13 67.83 0.4 . 1 . . . . . 14 THR CB . 50649 1 17 . 1 . 1 14 14 THR N N 15 116.09 0.2 . 1 . . . . . 14 THR N . 50649 1 18 . 1 . 1 15 15 LEU H H 1 7.40 0.04 . 1 . . . . . 15 LEU H . 50649 1 19 . 1 . 1 15 15 LEU C C 13 174.58 0.4 . 1 . . . . . 15 LEU C . 50649 1 20 . 1 . 1 15 15 LEU CA C 13 58.22 0.4 . 1 . . . . . 15 LEU CA . 50649 1 21 . 1 . 1 15 15 LEU CB C 13 39.37 0.4 . 1 . . . . . 15 LEU CB . 50649 1 22 . 1 . 1 15 15 LEU N N 15 122.74 0.2 . 1 . . . . . 15 LEU N . 50649 1 23 . 1 . 1 16 16 LEU H H 1 8.29 0.04 . 1 . . . . . 16 LEU H . 50649 1 24 . 1 . 1 16 16 LEU CA C 13 58.37 0.4 . 1 . . . . . 16 LEU CA . 50649 1 25 . 1 . 1 16 16 LEU CB C 13 39.99 0.4 . 1 . . . . . 16 LEU CB . 50649 1 26 . 1 . 1 16 16 LEU N N 15 118.66 0.2 . 1 . . . . . 16 LEU N . 50649 1 27 . 1 . 1 18 18 SER C C 13 173.76 0.4 . 1 . . . . . 18 SER C . 50649 1 28 . 1 . 1 18 18 SER CA C 13 63.02 0.4 . 1 . . . . . 18 SER CA . 50649 1 29 . 1 . 1 18 18 SER CB C 13 62.06 0.4 . 1 . . . . . 18 SER CB . 50649 1 30 . 1 . 1 19 19 VAL H H 1 8.31 0.04 . 1 . . . . . 19 VAL H . 50649 1 31 . 1 . 1 19 19 VAL C C 13 175.40 0.4 . 1 . . . . . 19 VAL C . 50649 1 32 . 1 . 1 19 19 VAL CA C 13 65.66 0.4 . 1 . . . . . 19 VAL CA . 50649 1 33 . 1 . 1 19 19 VAL CB C 13 30.04 0.4 . 1 . . . . . 19 VAL CB . 50649 1 34 . 1 . 1 19 19 VAL N N 15 123.02 0.2 . 1 . . . . . 19 VAL N . 50649 1 35 . 1 . 1 20 20 ALA H H 1 7.34 0.04 . 1 . . . . . 20 ALA H . 50649 1 36 . 1 . 1 20 20 ALA C C 13 175.04 0.4 . 1 . . . . . 20 ALA C . 50649 1 37 . 1 . 1 20 20 ALA CA C 13 54.97 0.4 . 1 . . . . . 20 ALA CA . 50649 1 38 . 1 . 1 20 20 ALA CB C 13 16.98 0.4 . 1 . . . . . 20 ALA CB . 50649 1 39 . 1 . 1 20 20 ALA N N 15 121.27 0.2 . 1 . . . . . 20 ALA N . 50649 1 40 . 1 . 1 21 21 ALA H H 1 7.79 0.04 . 1 . . . . . 21 ALA H . 50649 1 41 . 1 . 1 21 21 ALA C C 13 174.99 0.4 . 1 . . . . . 21 ALA C . 50649 1 42 . 1 . 1 21 21 ALA CA C 13 54.40 0.4 . 1 . . . . . 21 ALA CA . 50649 1 43 . 1 . 1 21 21 ALA CB C 13 18.27 0.4 . 1 . . . . . 21 ALA CB . 50649 1 44 . 1 . 1 21 21 ALA N N 15 115.59 0.2 . 1 . . . . . 21 ALA N . 50649 1 45 . 1 . 1 22 22 SER H H 1 7.32 0.04 . 1 . . . . . 22 SER H . 50649 1 46 . 1 . 1 22 22 SER C C 13 170.40 0.4 . 1 . . . . . 22 SER C . 50649 1 47 . 1 . 1 22 22 SER CA C 13 57.78 0.4 . 1 . . . . . 22 SER CA . 50649 1 48 . 1 . 1 22 22 SER CB C 13 63.88 0.4 . 1 . . . . . 22 SER CB . 50649 1 49 . 1 . 1 22 22 SER N N 15 110.10 0.2 . 1 . . . . . 22 SER N . 50649 1 50 . 1 . 1 23 23 TYR H H 1 7.29 0.04 . 1 . . . . . 23 TYR H . 50649 1 51 . 1 . 1 23 23 TYR C C 13 170.63 0.4 . 1 . . . . . 23 TYR C . 50649 1 52 . 1 . 1 23 23 TYR CA C 13 55.45 0.4 . 1 . . . . . 23 TYR CA . 50649 1 53 . 1 . 1 23 23 TYR CB C 13 39.69 0.4 . 1 . . . . . 23 TYR CB . 50649 1 54 . 1 . 1 23 23 TYR N N 15 129.30 0.2 . 1 . . . . . 23 TYR N . 50649 1 55 . 1 . 1 27 27 PRO C C 13 174.66 0.4 . 1 . . . . . 27 PRO C . 50649 1 56 . 1 . 1 27 27 PRO CA C 13 61.57 0.4 . 1 . . . . . 27 PRO CA . 50649 1 57 . 1 . 1 27 27 PRO CB C 13 31.39 0.4 . 1 . . . . . 27 PRO CB . 50649 1 58 . 1 . 1 27 27 PRO N N 15 113.68 0.2 . 1 . . . . . 27 PRO N . 50649 1 59 . 1 . 1 28 28 THR H H 1 8.83 0.04 . 1 . . . . . 28 THR H . 50649 1 60 . 1 . 1 28 28 THR C C 13 173.06 0.4 . 1 . . . . . 28 THR C . 50649 1 61 . 1 . 1 28 28 THR CA C 13 60.24 0.4 . 1 . . . . . 28 THR CA . 50649 1 62 . 1 . 1 28 28 THR CB C 13 70.87 0.4 . 1 . . . . . 28 THR CB . 50649 1 63 . 1 . 1 28 28 THR N N 15 112.49 0.2 . 1 . . . . . 28 THR N . 50649 1 64 . 1 . 1 29 29 ASP H H 1 8.91 0.04 . 1 . . . . . 29 ASP H . 50649 1 65 . 1 . 1 29 29 ASP C C 13 176.74 0.4 . 1 . . . . . 29 ASP C . 50649 1 66 . 1 . 1 29 29 ASP CA C 13 57.97 0.4 . 1 . . . . . 29 ASP CA . 50649 1 67 . 1 . 1 29 29 ASP CB C 13 39.38 0.4 . 1 . . . . . 29 ASP CB . 50649 1 68 . 1 . 1 29 29 ASP N N 15 121.24 0.2 . 1 . . . . . 29 ASP N . 50649 1 69 . 1 . 1 30 30 GLN H H 1 8.32 0.04 . 1 . . . . . 30 GLN H . 50649 1 70 . 1 . 1 30 30 GLN C C 13 175.88 0.4 . 1 . . . . . 30 GLN C . 50649 1 71 . 1 . 1 30 30 GLN CA C 13 58.70 0.4 . 1 . . . . . 30 GLN CA . 50649 1 72 . 1 . 1 30 30 GLN CB C 13 27.14 0.4 . 1 . . . . . 30 GLN CB . 50649 1 73 . 1 . 1 30 30 GLN N N 15 120.78 0.2 . 1 . . . . . 30 GLN N . 50649 1 74 . 1 . 1 31 31 GLN H H 1 7.60 0.04 . 1 . . . . . 31 GLN H . 50649 1 75 . 1 . 1 31 31 GLN C C 13 177.00 0.4 . 1 . . . . . 31 GLN C . 50649 1 76 . 1 . 1 31 31 GLN CA C 13 58.51 0.4 . 1 . . . . . 31 GLN CA . 50649 1 77 . 1 . 1 31 31 GLN CB C 13 27.51 0.4 . 1 . . . . . 31 GLN CB . 50649 1 78 . 1 . 1 31 31 GLN N N 15 120.32 0.2 . 1 . . . . . 31 GLN N . 50649 1 79 . 1 . 1 32 32 LYS H H 1 8.18 0.04 . 1 . . . . . 32 LYS H . 50649 1 80 . 1 . 1 32 32 LYS C C 13 176.54 0.4 . 1 . . . . . 32 LYS C . 50649 1 81 . 1 . 1 32 32 LYS CA C 13 59.42 0.4 . 1 . . . . . 32 LYS CA . 50649 1 82 . 1 . 1 32 32 LYS CB C 13 32.47 0.4 . 1 . . . . . 32 LYS CB . 50649 1 83 . 1 . 1 32 32 LYS N N 15 120.89 0.2 . 1 . . . . . 32 LYS N . 50649 1 84 . 1 . 1 33 33 GLY H H 1 7.89 0.04 . 1 . . . . . 33 GLY H . 50649 1 85 . 1 . 1 33 33 GLY C C 13 174.95 0.4 . 1 . . . . . 33 GLY C . 50649 1 86 . 1 . 1 33 33 GLY CA C 13 46.86 0.4 . 1 . . . . . 33 GLY CA . 50649 1 87 . 1 . 1 33 33 GLY N N 15 105.29 0.2 . 1 . . . . . 33 GLY N . 50649 1 88 . 1 . 1 34 34 GLU H H 1 8.32 0.04 . 1 . . . . . 34 GLU H . 50649 1 89 . 1 . 1 34 34 GLU C C 13 175.61 0.4 . 1 . . . . . 34 GLU C . 50649 1 90 . 1 . 1 34 34 GLU CA C 13 60.00 0.4 . 1 . . . . . 34 GLU CA . 50649 1 91 . 1 . 1 34 34 GLU CB C 13 27.87 0.4 . 1 . . . . . 34 GLU CB . 50649 1 92 . 1 . 1 34 34 GLU N N 15 121.89 0.2 . 1 . . . . . 34 GLU N . 50649 1 93 . 1 . 1 35 35 MET H H 1 7.93 0.04 . 1 . . . . . 35 MET H . 50649 1 94 . 1 . 1 35 35 MET C C 13 175.67 0.4 . 1 . . . . . 35 MET C . 50649 1 95 . 1 . 1 35 35 MET CA C 13 56.04 0.4 . 1 . . . . . 35 MET CA . 50649 1 96 . 1 . 1 35 35 MET CB C 13 28.50 0.4 . 1 . . . . . 35 MET CB . 50649 1 97 . 1 . 1 35 35 MET N N 15 120.18 0.2 . 1 . . . . . 35 MET N . 50649 1 98 . 1 . 1 36 36 LYS H H 1 7.70 0.04 . 1 . . . . . 36 LYS H . 50649 1 99 . 1 . 1 36 36 LYS C C 13 176.77 0.4 . 1 . . . . . 36 LYS C . 50649 1 100 . 1 . 1 36 36 LYS CA C 13 60.58 0.4 . 1 . . . . . 36 LYS CA . 50649 1 101 . 1 . 1 36 36 LYS CB C 13 31.50 0.4 . 1 . . . . . 36 LYS CB . 50649 1 102 . 1 . 1 36 36 LYS N N 15 117.65 0.2 . 1 . . . . . 36 LYS N . 50649 1 103 . 1 . 1 37 37 GLN H H 1 7.83 0.04 . 1 . . . . . 37 GLN H . 50649 1 104 . 1 . 1 37 37 GLN C C 13 175.07 0.4 . 1 . . . . . 37 GLN C . 50649 1 105 . 1 . 1 37 37 GLN CA C 13 58.39 0.4 . 1 . . . . . 37 GLN CA . 50649 1 106 . 1 . 1 37 37 GLN CB C 13 28.18 0.4 . 1 . . . . . 37 GLN CB . 50649 1 107 . 1 . 1 37 37 GLN N N 15 118.91 0.2 . 1 . . . . . 37 GLN N . 50649 1 108 . 1 . 1 38 38 PHE H H 1 9.13 0.04 . 1 . . . . . 38 PHE H . 50649 1 109 . 1 . 1 38 38 PHE C C 13 174.19 0.4 . 1 . . . . . 38 PHE C . 50649 1 110 . 1 . 1 38 38 PHE CA C 13 62.13 0.4 . 1 . . . . . 38 PHE CA . 50649 1 111 . 1 . 1 38 38 PHE CB C 13 38.46 0.4 . 1 . . . . . 38 PHE CB . 50649 1 112 . 1 . 1 38 38 PHE N N 15 121.13 0.2 . 1 . . . . . 38 PHE N . 50649 1 113 . 1 . 1 39 39 LEU H H 1 7.80 0.04 . 1 . . . . . 39 LEU H . 50649 1 114 . 1 . 1 39 39 LEU C C 13 175.41 0.4 . 1 . . . . . 39 LEU C . 50649 1 115 . 1 . 1 39 39 LEU CA C 13 57.48 0.4 . 1 . . . . . 39 LEU CA . 50649 1 116 . 1 . 1 39 39 LEU CB C 13 40.40 0.4 . 1 . . . . . 39 LEU CB . 50649 1 117 . 1 . 1 39 39 LEU N N 15 117.09 0.2 . 1 . . . . . 39 LEU N . 50649 1 118 . 1 . 1 40 40 ASN H H 1 7.59 0.04 . 1 . . . . . 40 ASN H . 50649 1 119 . 1 . 1 40 40 ASN C C 13 175.78 0.4 . 1 . . . . . 40 ASN C . 50649 1 120 . 1 . 1 40 40 ASN CA C 13 56.20 0.4 . 1 . . . . . 40 ASN CA . 50649 1 121 . 1 . 1 40 40 ASN CB C 13 38.42 0.4 . 1 . . . . . 40 ASN CB . 50649 1 122 . 1 . 1 40 40 ASN N N 15 117.26 0.2 . 1 . . . . . 40 ASN N . 50649 1 123 . 1 . 1 41 41 ILE H H 1 8.78 0.04 . 1 . . . . . 41 ILE H . 50649 1 124 . 1 . 1 41 41 ILE C C 13 175.98 0.4 . 1 . . . . . 41 ILE C . 50649 1 125 . 1 . 1 41 41 ILE CA C 13 65.77 0.4 . 1 . . . . . 41 ILE CA . 50649 1 126 . 1 . 1 41 41 ILE CB C 13 37.41 0.4 . 1 . . . . . 41 ILE CB . 50649 1 127 . 1 . 1 41 41 ILE N N 15 120.86 0.2 . 1 . . . . . 41 ILE N . 50649 1 128 . 1 . 1 42 42 PHE H H 1 8.80 0.04 . 1 . . . . . 42 PHE H . 50649 1 129 . 1 . 1 42 42 PHE C C 13 173.85 0.4 . 1 . . . . . 42 PHE C . 50649 1 130 . 1 . 1 42 42 PHE CA C 13 61.69 0.4 . 1 . . . . . 42 PHE CA . 50649 1 131 . 1 . 1 42 42 PHE CB C 13 38.38 0.4 . 1 . . . . . 42 PHE CB . 50649 1 132 . 1 . 1 42 42 PHE N N 15 121.30 0.2 . 1 . . . . . 42 PHE N . 50649 1 133 . 1 . 1 43 43 SER H H 1 7.70 0.04 . 1 . . . . . 43 SER H . 50649 1 134 . 1 . 1 43 43 SER C C 13 169.81 0.4 . 1 . . . . . 43 SER C . 50649 1 135 . 1 . 1 43 43 SER CA C 13 61.43 0.4 . 1 . . . . . 43 SER CA . 50649 1 136 . 1 . 1 43 43 SER CB C 13 63.23 0.4 . 1 . . . . . 43 SER CB . 50649 1 137 . 1 . 1 43 43 SER N N 15 112.12 0.2 . 1 . . . . . 43 SER N . 50649 1 138 . 1 . 1 44 44 HIS H H 1 7.36 0.04 . 1 . . . . . 44 HIS H . 50649 1 139 . 1 . 1 44 44 HIS C C 13 174.77 0.4 . 1 . . . . . 44 HIS C . 50649 1 140 . 1 . 1 44 44 HIS CA C 13 54.48 0.4 . 1 . . . . . 44 HIS CA . 50649 1 141 . 1 . 1 44 44 HIS CB C 13 29.09 0.4 . 1 . . . . . 44 HIS CB . 50649 1 142 . 1 . 1 44 44 HIS N N 15 117.27 0.2 . 1 . . . . . 44 HIS N . 50649 1 143 . 1 . 1 45 45 ILE H H 1 7.37 0.04 . 1 . . . . . 45 ILE H . 50649 1 144 . 1 . 1 45 45 ILE C C 13 173.39 0.4 . 1 . . . . . 45 ILE C . 50649 1 145 . 1 . 1 45 45 ILE CA C 13 60.65 0.4 . 1 . . . . . 45 ILE CA . 50649 1 146 . 1 . 1 45 45 ILE CB C 13 38.22 0.4 . 1 . . . . . 45 ILE CB . 50649 1 147 . 1 . 1 45 45 ILE N N 15 110.34 0.2 . 1 . . . . . 45 ILE N . 50649 1 148 . 1 . 1 46 46 TYR H H 1 7.23 0.04 . 1 . . . . . 46 TYR H . 50649 1 149 . 1 . 1 46 46 TYR C C 13 173.76 0.4 . 1 . . . . . 46 TYR C . 50649 1 150 . 1 . 1 46 46 TYR CA C 13 55.75 0.4 . 1 . . . . . 46 TYR CA . 50649 1 151 . 1 . 1 46 46 TYR CB C 13 35.73 0.4 . 1 . . . . . 46 TYR CB . 50649 1 152 . 1 . 1 46 46 TYR N N 15 125.18 0.2 . 1 . . . . . 46 TYR N . 50649 1 153 . 1 . 1 50 50 TRP C C 13 175.69 0.4 . 1 . . . . . 50 TRP C . 50649 1 154 . 1 . 1 50 50 TRP CA C 13 58.68 0.4 . 1 . . . . . 50 TRP CA . 50649 1 155 . 1 . 1 50 50 TRP CB C 13 26.45 0.4 . 1 . . . . . 50 TRP CB . 50649 1 156 . 1 . 1 51 51 CYS H H 1 6.98 0.04 . 1 . . . . . 51 CYS H . 50649 1 157 . 1 . 1 51 51 CYS C C 13 173.88 0.4 . 1 . . . . . 51 CYS C . 50649 1 158 . 1 . 1 51 51 CYS CA C 13 60.85 0.4 . 1 . . . . . 51 CYS CA . 50649 1 159 . 1 . 1 51 51 CYS CB C 13 34.31 0.4 . 1 . . . . . 51 CYS CB . 50649 1 160 . 1 . 1 51 51 CYS N N 15 116.41 0.2 . 1 . . . . . 51 CYS N . 50649 1 161 . 1 . 1 52 52 ALA H H 1 8.47 0.04 . 1 . . . . . 52 ALA H . 50649 1 162 . 1 . 1 52 52 ALA C C 13 175.72 0.4 . 1 . . . . . 52 ALA C . 50649 1 163 . 1 . 1 52 52 ALA CA C 13 55.41 0.4 . 1 . . . . . 52 ALA CA . 50649 1 164 . 1 . 1 52 52 ALA CB C 13 17.55 0.4 . 1 . . . . . 52 ALA CB . 50649 1 165 . 1 . 1 52 52 ALA N N 15 124.06 0.2 . 1 . . . . . 52 ALA N . 50649 1 166 . 1 . 1 53 53 LYS H H 1 7.97 0.04 . 1 . . . . . 53 LYS H . 50649 1 167 . 1 . 1 53 53 LYS C C 13 178.03 0.4 . 1 . . . . . 53 LYS C . 50649 1 168 . 1 . 1 53 53 LYS CA C 13 58.75 0.4 . 1 . . . . . 53 LYS CA . 50649 1 169 . 1 . 1 53 53 LYS CB C 13 31.28 0.4 . 1 . . . . . 53 LYS CB . 50649 1 170 . 1 . 1 53 53 LYS N N 15 117.18 0.2 . 1 . . . . . 53 LYS N . 50649 1 171 . 1 . 1 54 54 ASP H H 1 7.68 0.04 . 1 . . . . . 54 ASP H . 50649 1 172 . 1 . 1 54 54 ASP C C 13 176.02 0.4 . 1 . . . . . 54 ASP C . 50649 1 173 . 1 . 1 54 54 ASP CA C 13 57.02 0.4 . 1 . . . . . 54 ASP CA . 50649 1 174 . 1 . 1 54 54 ASP CB C 13 39.84 0.4 . 1 . . . . . 54 ASP CB . 50649 1 175 . 1 . 1 54 54 ASP N N 15 119.31 0.2 . 1 . . . . . 54 ASP N . 50649 1 176 . 1 . 1 55 55 PHE H H 1 8.18 0.04 . 1 . . . . . 55 PHE H . 50649 1 177 . 1 . 1 55 55 PHE C C 13 174.12 0.4 . 1 . . . . . 55 PHE C . 50649 1 178 . 1 . 1 55 55 PHE CA C 13 60.50 0.4 . 1 . . . . . 55 PHE CA . 50649 1 179 . 1 . 1 55 55 PHE CB C 13 39.18 0.4 . 1 . . . . . 55 PHE CB . 50649 1 180 . 1 . 1 55 55 PHE N N 15 124.92 0.2 . 1 . . . . . 55 PHE N . 50649 1 181 . 1 . 1 56 56 GLU H H 1 9.23 0.04 . 1 . . . . . 56 GLU H . 50649 1 182 . 1 . 1 56 56 GLU C C 13 176.05 0.4 . 1 . . . . . 56 GLU C . 50649 1 183 . 1 . 1 56 56 GLU CA C 13 59.59 0.4 . 1 . . . . . 56 GLU CA . 50649 1 184 . 1 . 1 56 56 GLU CB C 13 28.77 0.4 . 1 . . . . . 56 GLU CB . 50649 1 185 . 1 . 1 56 56 GLU N N 15 121.07 0.2 . 1 . . . . . 56 GLU N . 50649 1 186 . 1 . 1 57 57 LYS H H 1 7.66 0.04 . 1 . . . . . 57 LYS H . 50649 1 187 . 1 . 1 57 57 LYS C C 13 175.08 0.4 . 1 . . . . . 57 LYS C . 50649 1 188 . 1 . 1 57 57 LYS CA C 13 59.48 0.4 . 1 . . . . . 57 LYS CA . 50649 1 189 . 1 . 1 57 57 LYS CB C 13 31.65 0.4 . 1 . . . . . 57 LYS CB . 50649 1 190 . 1 . 1 57 57 LYS N N 15 119.88 0.2 . 1 . . . . . 57 LYS N . 50649 1 191 . 1 . 1 58 58 TYR H H 1 8.11 0.04 . 1 . . . . . 58 TYR H . 50649 1 192 . 1 . 1 58 58 TYR C C 13 175.46 0.4 . 1 . . . . . 58 TYR C . 50649 1 193 . 1 . 1 58 58 TYR CA C 13 62.50 0.4 . 1 . . . . . 58 TYR CA . 50649 1 194 . 1 . 1 58 58 TYR CB C 13 37.24 0.4 . 1 . . . . . 58 TYR CB . 50649 1 195 . 1 . 1 58 58 TYR N N 15 120.64 0.2 . 1 . . . . . 58 TYR N . 50649 1 196 . 1 . 1 59 59 ILE H H 1 8.21 0.04 . 1 . . . . . 59 ILE H . 50649 1 197 . 1 . 1 59 59 ILE C C 13 174.83 0.4 . 1 . . . . . 59 ILE C . 50649 1 198 . 1 . 1 59 59 ILE CA C 13 64.52 0.4 . 1 . . . . . 59 ILE CA . 50649 1 199 . 1 . 1 59 59 ILE CB C 13 37.37 0.4 . 1 . . . . . 59 ILE CB . 50649 1 200 . 1 . 1 59 59 ILE N N 15 118.60 0.2 . 1 . . . . . 59 ILE N . 50649 1 201 . 1 . 1 60 60 ARG H H 1 7.64 0.04 . 1 . . . . . 60 ARG H . 50649 1 202 . 1 . 1 60 60 ARG C C 13 175.68 0.4 . 1 . . . . . 60 ARG C . 50649 1 203 . 1 . 1 60 60 ARG CA C 13 58.53 0.4 . 1 . . . . . 60 ARG CA . 50649 1 204 . 1 . 1 60 60 ARG CB C 13 29.30 0.4 . 1 . . . . . 60 ARG CB . 50649 1 205 . 1 . 1 60 60 ARG N N 15 119.78 0.2 . 1 . . . . . 60 ARG N . 50649 1 206 . 1 . 1 61 61 GLU H H 1 7.51 0.04 . 1 . . . . . 61 GLU H . 50649 1 207 . 1 . 1 61 61 GLU C C 13 173.37 0.4 . 1 . . . . . 61 GLU C . 50649 1 208 . 1 . 1 61 61 GLU CA C 13 57.04 0.4 . 1 . . . . . 61 GLU CA . 50649 1 209 . 1 . 1 61 61 GLU CB C 13 30.06 0.4 . 1 . . . . . 61 GLU CB . 50649 1 210 . 1 . 1 61 61 GLU N N 15 116.97 0.2 . 1 . . . . . 61 GLU N . 50649 1 211 . 1 . 1 62 62 ASN H H 1 8.06 0.04 . 1 . . . . . 62 ASN H . 50649 1 212 . 1 . 1 62 62 ASN C C 13 169.99 0.4 . 1 . . . . . 62 ASN C . 50649 1 213 . 1 . 1 62 62 ASN CA C 13 50.99 0.4 . 1 . . . . . 62 ASN CA . 50649 1 214 . 1 . 1 62 62 ASN CB C 13 37.95 0.4 . 1 . . . . . 62 ASN CB . 50649 1 215 . 1 . 1 62 62 ASN N N 15 121.69 0.2 . 1 . . . . . 62 ASN N . 50649 1 216 . 1 . 1 63 63 ALA H H 1 8.09 0.04 . 1 . . . . . 63 ALA H . 50649 1 217 . 1 . 1 63 63 ALA C C 13 174.04 0.4 . 1 . . . . . 63 ALA C . 50649 1 218 . 1 . 1 63 63 ALA CA C 13 50.98 0.4 . 1 . . . . . 63 ALA CA . 50649 1 219 . 1 . 1 63 63 ALA CB C 13 16.55 0.4 . 1 . . . . . 63 ALA CB . 50649 1 220 . 1 . 1 63 63 ALA N N 15 125.50 0.2 . 1 . . . . . 63 ALA N . 50649 1 221 . 1 . 1 65 65 GLN C C 13 171.46 0.4 . 1 . . . . . 65 GLN C . 50649 1 222 . 1 . 1 65 65 GLN CA C 13 54.21 0.4 . 1 . . . . . 65 GLN CA . 50649 1 223 . 1 . 1 65 65 GLN CB C 13 28.52 0.4 . 1 . . . . . 65 GLN CB . 50649 1 224 . 1 . 1 66 66 VAL H H 1 7.74 0.04 . 1 . . . . . 66 VAL H . 50649 1 225 . 1 . 1 66 66 VAL C C 13 175.01 0.4 . 1 . . . . . 66 VAL C . 50649 1 226 . 1 . 1 66 66 VAL CA C 13 58.94 0.4 . 1 . . . . . 66 VAL CA . 50649 1 227 . 1 . 1 66 66 VAL CB C 13 30.93 0.4 . 1 . . . . . 66 VAL CB . 50649 1 228 . 1 . 1 66 66 VAL N N 15 109.39 0.2 . 1 . . . . . 66 VAL N . 50649 1 229 . 1 . 1 67 67 GLU H H 1 8.71 0.04 . 1 . . . . . 67 GLU H . 50649 1 230 . 1 . 1 67 67 GLU C C 13 172.18 0.4 . 1 . . . . . 67 GLU C . 50649 1 231 . 1 . 1 67 67 GLU CA C 13 58.48 0.4 . 1 . . . . . 67 GLU CA . 50649 1 232 . 1 . 1 67 67 GLU CB C 13 28.50 0.4 . 1 . . . . . 67 GLU CB . 50649 1 233 . 1 . 1 67 67 GLU N N 15 121.00 0.2 . 1 . . . . . 67 GLU N . 50649 1 234 . 1 . 1 68 68 SER H H 1 7.08 0.04 . 1 . . . . . 68 SER H . 50649 1 235 . 1 . 1 68 68 SER C C 13 171.38 0.4 . 1 . . . . . 68 SER C . 50649 1 236 . 1 . 1 68 68 SER CA C 13 56.96 0.4 . 1 . . . . . 68 SER CA . 50649 1 237 . 1 . 1 68 68 SER CB C 13 66.30 0.4 . 1 . . . . . 68 SER CB . 50649 1 238 . 1 . 1 68 68 SER N N 15 105.00 0.2 . 1 . . . . . 68 SER N . 50649 1 239 . 1 . 1 69 69 ARG H H 1 7.60 0.04 . 1 . . . . . 69 ARG H . 50649 1 240 . 1 . 1 69 69 ARG C C 13 174.24 0.4 . 1 . . . . . 69 ARG C . 50649 1 241 . 1 . 1 69 69 ARG CA C 13 60.71 0.4 . 1 . . . . . 69 ARG CA . 50649 1 242 . 1 . 1 69 69 ARG CB C 13 28.88 0.4 . 1 . . . . . 69 ARG CB . 50649 1 243 . 1 . 1 69 69 ARG N N 15 122.77 0.2 . 1 . . . . . 69 ARG N . 50649 1 244 . 1 . 1 70 70 GLU H H 1 8.84 0.04 . 1 . . . . . 70 GLU H . 50649 1 245 . 1 . 1 70 70 GLU C C 13 176.61 0.4 . 1 . . . . . 70 GLU C . 50649 1 246 . 1 . 1 70 70 GLU CA C 13 59.46 0.4 . 1 . . . . . 70 GLU CA . 50649 1 247 . 1 . 1 70 70 GLU CB C 13 28.62 0.4 . 1 . . . . . 70 GLU CB . 50649 1 248 . 1 . 1 70 70 GLU N N 15 119.17 0.2 . 1 . . . . . 70 GLU N . 50649 1 249 . 1 . 1 71 71 GLU H H 1 7.67 0.04 . 1 . . . . . 71 GLU H . 50649 1 250 . 1 . 1 71 71 GLU C C 13 176.38 0.4 . 1 . . . . . 71 GLU C . 50649 1 251 . 1 . 1 71 71 GLU CA C 13 59.02 0.4 . 1 . . . . . 71 GLU CA . 50649 1 252 . 1 . 1 71 71 GLU CB C 13 28.85 0.4 . 1 . . . . . 71 GLU CB . 50649 1 253 . 1 . 1 71 71 GLU N N 15 117.27 0.2 . 1 . . . . . 71 GLU N . 50649 1 254 . 1 . 1 72 72 LEU H H 1 8.29 0.04 . 1 . . . . . 72 LEU H . 50649 1 255 . 1 . 1 72 72 LEU C C 13 177.19 0.4 . 1 . . . . . 72 LEU C . 50649 1 256 . 1 . 1 72 72 LEU CA C 13 57.49 0.4 . 1 . . . . . 72 LEU CA . 50649 1 257 . 1 . 1 72 72 LEU CB C 13 40.89 0.4 . 1 . . . . . 72 LEU CB . 50649 1 258 . 1 . 1 72 72 LEU N N 15 124.25 0.2 . 1 . . . . . 72 LEU N . 50649 1 259 . 1 . 1 73 73 GLY H H 1 9.15 0.04 . 1 . . . . . 73 GLY H . 50649 1 260 . 1 . 1 73 73 GLY C C 13 175.02 0.4 . 1 . . . . . 73 GLY C . 50649 1 261 . 1 . 1 73 73 GLY CA C 13 44.73 0.4 . 1 . . . . . 73 GLY CA . 50649 1 262 . 1 . 1 73 73 GLY N N 15 107.37 0.2 . 1 . . . . . 73 GLY N . 50649 1 263 . 1 . 1 74 74 ARG H H 1 7.77 0.04 . 1 . . . . . 74 ARG H . 50649 1 264 . 1 . 1 74 74 ARG C C 13 174.77 0.4 . 1 . . . . . 74 ARG C . 50649 1 265 . 1 . 1 74 74 ARG CA C 13 60.08 0.4 . 1 . . . . . 74 ARG CA . 50649 1 266 . 1 . 1 74 74 ARG CB C 13 28.60 0.4 . 1 . . . . . 74 ARG CB . 50649 1 267 . 1 . 1 74 74 ARG N N 15 123.35 0.2 . 1 . . . . . 74 ARG N . 50649 1 268 . 1 . 1 75 75 TRP H H 1 8.53 0.04 . 1 . . . . . 75 TRP H . 50649 1 269 . 1 . 1 75 75 TRP C C 13 176.76 0.4 . 1 . . . . . 75 TRP C . 50649 1 270 . 1 . 1 75 75 TRP CA C 13 62.42 0.4 . 1 . . . . . 75 TRP CA . 50649 1 271 . 1 . 1 75 75 TRP CB C 13 28.40 0.4 . 1 . . . . . 75 TRP CB . 50649 1 272 . 1 . 1 75 75 TRP N N 15 122.22 0.2 . 1 . . . . . 75 TRP N . 50649 1 273 . 1 . 1 76 76 MET H H 1 9.10 0.04 . 1 . . . . . 76 MET H . 50649 1 274 . 1 . 1 76 76 MET C C 13 175.63 0.4 . 1 . . . . . 76 MET C . 50649 1 275 . 1 . 1 76 76 MET CA C 13 57.31 0.4 . 1 . . . . . 76 MET CA . 50649 1 276 . 1 . 1 76 76 MET CB C 13 30.92 0.4 . 1 . . . . . 76 MET CB . 50649 1 277 . 1 . 1 76 76 MET N N 15 119.16 0.2 . 1 . . . . . 76 MET N . 50649 1 278 . 1 . 1 77 77 CYS H H 1 7.70 0.04 . 1 . . . . . 77 CYS H . 50649 1 279 . 1 . 1 77 77 CYS C C 13 174.90 0.4 . 1 . . . . . 77 CYS C . 50649 1 280 . 1 . 1 77 77 CYS CA C 13 58.66 0.4 . 1 . . . . . 77 CYS CA . 50649 1 281 . 1 . 1 77 77 CYS CB C 13 42.47 0.4 . 1 . . . . . 77 CYS CB . 50649 1 282 . 1 . 1 77 77 CYS N N 15 119.04 0.2 . 1 . . . . . 77 CYS N . 50649 1 283 . 1 . 1 78 78 GLU H H 1 8.88 0.04 . 1 . . . . . 78 GLU H . 50649 1 284 . 1 . 1 78 78 GLU C C 13 177.01 0.4 . 1 . . . . . 78 GLU C . 50649 1 285 . 1 . 1 78 78 GLU CA C 13 58.87 0.4 . 1 . . . . . 78 GLU CA . 50649 1 286 . 1 . 1 78 78 GLU CB C 13 27.39 0.4 . 1 . . . . . 78 GLU CB . 50649 1 287 . 1 . 1 78 78 GLU N N 15 125.59 0.2 . 1 . . . . . 78 GLU N . 50649 1 288 . 1 . 1 79 79 ALA H H 1 8.16 0.04 . 1 . . . . . 79 ALA H . 50649 1 289 . 1 . 1 79 79 ALA C C 13 177.63 0.4 . 1 . . . . . 79 ALA C . 50649 1 290 . 1 . 1 79 79 ALA CA C 13 54.20 0.4 . 1 . . . . . 79 ALA CA . 50649 1 291 . 1 . 1 79 79 ALA CB C 13 16.41 0.4 . 1 . . . . . 79 ALA CB . 50649 1 292 . 1 . 1 79 79 ALA N N 15 124.39 0.2 . 1 . . . . . 79 ALA N . 50649 1 293 . 1 . 1 80 80 HIS H H 1 7.68 0.04 . 1 . . . . . 80 HIS H . 50649 1 294 . 1 . 1 80 80 HIS C C 13 174.96 0.4 . 1 . . . . . 80 HIS C . 50649 1 295 . 1 . 1 80 80 HIS CA C 13 55.72 0.4 . 1 . . . . . 80 HIS CA . 50649 1 296 . 1 . 1 80 80 HIS CB C 13 26.44 0.4 . 1 . . . . . 80 HIS CB . 50649 1 297 . 1 . 1 80 80 HIS N N 15 118.44 0.2 . 1 . . . . . 80 HIS N . 50649 1 298 . 1 . 1 81 81 ASN H H 1 8.35 0.04 . 1 . . . . . 81 ASN H . 50649 1 299 . 1 . 1 81 81 ASN C C 13 175.52 0.4 . 1 . . . . . 81 ASN C . 50649 1 300 . 1 . 1 81 81 ASN CA C 13 54.55 0.4 . 1 . . . . . 81 ASN CA . 50649 1 301 . 1 . 1 81 81 ASN CB C 13 37.06 0.4 . 1 . . . . . 81 ASN CB . 50649 1 302 . 1 . 1 81 81 ASN N N 15 120.82 0.2 . 1 . . . . . 81 ASN N . 50649 1 303 . 1 . 1 82 82 LYS H H 1 7.65 0.04 . 1 . . . . . 82 LYS H . 50649 1 304 . 1 . 1 82 82 LYS C C 13 176.12 0.4 . 1 . . . . . 82 LYS C . 50649 1 305 . 1 . 1 82 82 LYS CA C 13 58.58 0.4 . 1 . . . . . 82 LYS CA . 50649 1 306 . 1 . 1 82 82 LYS CB C 13 30.32 0.4 . 1 . . . . . 82 LYS CB . 50649 1 307 . 1 . 1 82 82 LYS N N 15 124.72 0.2 . 1 . . . . . 82 LYS N . 50649 1 308 . 1 . 1 83 83 VAL H H 1 6.62 0.04 . 1 . . . . . 83 VAL H . 50649 1 309 . 1 . 1 83 83 VAL C C 13 174.83 0.4 . 1 . . . . . 83 VAL C . 50649 1 310 . 1 . 1 83 83 VAL CA C 13 65.73 0.4 . 1 . . . . . 83 VAL CA . 50649 1 311 . 1 . 1 83 83 VAL CB C 13 29.95 0.4 . 1 . . . . . 83 VAL CB . 50649 1 312 . 1 . 1 83 83 VAL N N 15 120.12 0.2 . 1 . . . . . 83 VAL N . 50649 1 313 . 1 . 1 84 84 ASN H H 1 8.34 0.04 . 1 . . . . . 84 ASN H . 50649 1 314 . 1 . 1 84 84 ASN C C 13 174.28 0.4 . 1 . . . . . 84 ASN C . 50649 1 315 . 1 . 1 84 84 ASN CA C 13 56.05 0.4 . 1 . . . . . 84 ASN CA . 50649 1 316 . 1 . 1 84 84 ASN CB C 13 36.22 0.4 . 1 . . . . . 84 ASN CB . 50649 1 317 . 1 . 1 84 84 ASN N N 15 118.06 0.2 . 1 . . . . . 84 ASN N . 50649 1 318 . 1 . 1 85 85 LYS H H 1 7.97 0.04 . 1 . . . . . 85 LYS H . 50649 1 319 . 1 . 1 85 85 LYS C C 13 177.62 0.4 . 1 . . . . . 85 LYS C . 50649 1 320 . 1 . 1 85 85 LYS CA C 13 58.97 0.4 . 1 . . . . . 85 LYS CA . 50649 1 321 . 1 . 1 85 85 LYS CB C 13 31.21 0.4 . 1 . . . . . 85 LYS CB . 50649 1 322 . 1 . 1 85 85 LYS N N 15 119.89 0.2 . 1 . . . . . 85 LYS N . 50649 1 323 . 1 . 1 86 86 LYS H H 1 7.34 0.04 . 1 . . . . . 86 LYS H . 50649 1 324 . 1 . 1 86 86 LYS C C 13 175.04 0.4 . 1 . . . . . 86 LYS C . 50649 1 325 . 1 . 1 86 86 LYS CA C 13 58.94 0.4 . 1 . . . . . 86 LYS CA . 50649 1 326 . 1 . 1 86 86 LYS CB C 13 31.53 0.4 . 1 . . . . . 86 LYS CB . 50649 1 327 . 1 . 1 86 86 LYS N N 15 121.81 0.2 . 1 . . . . . 86 LYS N . 50649 1 328 . 1 . 1 87 87 LEU H H 1 7.51 0.04 . 1 . . . . . 87 LEU H . 50649 1 329 . 1 . 1 87 87 LEU C C 13 172.84 0.4 . 1 . . . . . 87 LEU C . 50649 1 330 . 1 . 1 87 87 LEU CA C 13 53.89 0.4 . 1 . . . . . 87 LEU CA . 50649 1 331 . 1 . 1 87 87 LEU CB C 13 40.94 0.4 . 1 . . . . . 87 LEU CB . 50649 1 332 . 1 . 1 87 87 LEU N N 15 116.43 0.2 . 1 . . . . . 87 LEU N . 50649 1 333 . 1 . 1 88 88 ARG H H 1 7.81 0.04 . 1 . . . . . 88 ARG H . 50649 1 334 . 1 . 1 88 88 ARG C C 13 173.19 0.4 . 1 . . . . . 88 ARG C . 50649 1 335 . 1 . 1 88 88 ARG CA C 13 57.25 0.4 . 1 . . . . . 88 ARG CA . 50649 1 336 . 1 . 1 88 88 ARG CB C 13 25.58 0.4 . 1 . . . . . 88 ARG CB . 50649 1 337 . 1 . 1 88 88 ARG N N 15 116.18 0.2 . 1 . . . . . 88 ARG N . 50649 1 338 . 1 . 1 89 89 LYS H H 1 8.39 0.04 . 1 . . . . . 89 LYS H . 50649 1 339 . 1 . 1 89 89 LYS C C 13 171.18 0.4 . 1 . . . . . 89 LYS C . 50649 1 340 . 1 . 1 89 89 LYS CA C 13 53.89 0.4 . 1 . . . . . 89 LYS CA . 50649 1 341 . 1 . 1 89 89 LYS CB C 13 31.96 0.4 . 1 . . . . . 89 LYS CB . 50649 1 342 . 1 . 1 89 89 LYS N N 15 120.28 0.2 . 1 . . . . . 89 LYS N . 50649 1 343 . 1 . 1 90 90 PRO C C 13 173.25 0.4 . 1 . . . . . 90 PRO C . 50649 1 344 . 1 . 1 90 90 PRO CA C 13 62.57 0.4 . 1 . . . . . 90 PRO CA . 50649 1 345 . 1 . 1 90 90 PRO CB C 13 31.33 0.4 . 1 . . . . . 90 PRO CB . 50649 1 346 . 1 . 1 91 91 LYS H H 1 8.01 0.04 . 1 . . . . . 91 LYS H . 50649 1 347 . 1 . 1 91 91 LYS C C 13 173.22 0.4 . 1 . . . . . 91 LYS C . 50649 1 348 . 1 . 1 91 91 LYS CA C 13 56.34 0.4 . 1 . . . . . 91 LYS CA . 50649 1 349 . 1 . 1 91 91 LYS CB C 13 32.13 0.4 . 1 . . . . . 91 LYS CB . 50649 1 350 . 1 . 1 91 91 LYS N N 15 122.34 0.2 . 1 . . . . . 91 LYS N . 50649 1 351 . 1 . 1 92 92 PHE H H 1 8.85 0.04 . 1 . . . . . 92 PHE H . 50649 1 352 . 1 . 1 92 92 PHE C C 13 173.29 0.4 . 1 . . . . . 92 PHE C . 50649 1 353 . 1 . 1 92 92 PHE CA C 13 56.45 0.4 . 1 . . . . . 92 PHE CA . 50649 1 354 . 1 . 1 92 92 PHE CB C 13 40.49 0.4 . 1 . . . . . 92 PHE CB . 50649 1 355 . 1 . 1 92 92 PHE N N 15 129.77 0.2 . 1 . . . . . 92 PHE N . 50649 1 356 . 1 . 1 93 93 ASP H H 1 7.70 0.04 . 1 . . . . . 93 ASP H . 50649 1 357 . 1 . 1 93 93 ASP C C 13 173.89 0.4 . 1 . . . . . 93 ASP C . 50649 1 358 . 1 . 1 93 93 ASP CA C 13 53.42 0.4 . 1 . . . . . 93 ASP CA . 50649 1 359 . 1 . 1 93 93 ASP CB C 13 39.41 0.4 . 1 . . . . . 93 ASP CB . 50649 1 360 . 1 . 1 93 93 ASP N N 15 126.60 0.2 . 1 . . . . . 93 ASP N . 50649 1 361 . 1 . 1 94 94 CYS H H 1 8.50 0.04 . 1 . . . . . 94 CYS H . 50649 1 362 . 1 . 1 94 94 CYS C C 13 174.24 0.4 . 1 . . . . . 94 CYS C . 50649 1 363 . 1 . 1 94 94 CYS CA C 13 54.90 0.4 . 1 . . . . . 94 CYS CA . 50649 1 364 . 1 . 1 94 94 CYS CB C 13 37.04 0.4 . 1 . . . . . 94 CYS CB . 50649 1 365 . 1 . 1 94 94 CYS N N 15 125.12 0.2 . 1 . . . . . 94 CYS N . 50649 1 366 . 1 . 1 95 95 ASN H H 1 8.70 0.04 . 1 . . . . . 95 ASN H . 50649 1 367 . 1 . 1 95 95 ASN C C 13 173.80 0.4 . 1 . . . . . 95 ASN C . 50649 1 368 . 1 . 1 95 95 ASN CA C 13 55.35 0.4 . 1 . . . . . 95 ASN CA . 50649 1 369 . 1 . 1 95 95 ASN CB C 13 36.79 0.4 . 1 . . . . . 95 ASN CB . 50649 1 370 . 1 . 1 95 95 ASN N N 15 119.17 0.2 . 1 . . . . . 95 ASN N . 50649 1 371 . 1 . 1 96 96 PHE H H 1 8.02 0.04 . 1 . . . . . 96 PHE H . 50649 1 372 . 1 . 1 96 96 PHE C C 13 174.45 0.4 . 1 . . . . . 96 PHE C . 50649 1 373 . 1 . 1 96 96 PHE CA C 13 56.25 0.4 . 1 . . . . . 96 PHE CA . 50649 1 374 . 1 . 1 96 96 PHE CB C 13 38.28 0.4 . 1 . . . . . 96 PHE CB . 50649 1 375 . 1 . 1 96 96 PHE N N 15 117.19 0.2 . 1 . . . . . 96 PHE N . 50649 1 376 . 1 . 1 97 97 TRP H H 1 7.55 0.04 . 1 . . . . . 97 TRP H . 50649 1 377 . 1 . 1 97 97 TRP C C 13 174.42 0.4 . 1 . . . . . 97 TRP C . 50649 1 378 . 1 . 1 97 97 TRP CA C 13 61.01 0.4 . 1 . . . . . 97 TRP CA . 50649 1 379 . 1 . 1 97 97 TRP CB C 13 26.80 0.4 . 1 . . . . . 97 TRP CB . 50649 1 380 . 1 . 1 97 97 TRP N N 15 120.84 0.2 . 1 . . . . . 97 TRP N . 50649 1 381 . 1 . 1 98 98 GLU H H 1 7.52 0.04 . 1 . . . . . 98 GLU H . 50649 1 382 . 1 . 1 98 98 GLU C C 13 175.13 0.4 . 1 . . . . . 98 GLU C . 50649 1 383 . 1 . 1 98 98 GLU CA C 13 59.40 0.4 . 1 . . . . . 98 GLU CA . 50649 1 384 . 1 . 1 98 98 GLU CB C 13 27.99 0.4 . 1 . . . . . 98 GLU CB . 50649 1 385 . 1 . 1 98 98 GLU N N 15 124.49 0.2 . 1 . . . . . 98 GLU N . 50649 1 386 . 1 . 1 100 100 ARG C C 13 174.91 0.4 . 1 . . . . . 100 ARG C . 50649 1 387 . 1 . 1 100 100 ARG CA C 13 57.45 0.4 . 1 . . . . . 100 ARG CA . 50649 1 388 . 1 . 1 100 100 ARG CB C 13 29.55 0.4 . 1 . . . . . 100 ARG CB . 50649 1 389 . 1 . 1 101 101 TRP H H 1 7.60 0.04 . 1 . . . . . 101 TRP H . 50649 1 390 . 1 . 1 101 101 TRP C C 13 172.15 0.4 . 1 . . . . . 101 TRP C . 50649 1 391 . 1 . 1 101 101 TRP CA C 13 57.21 0.4 . 1 . . . . . 101 TRP CA . 50649 1 392 . 1 . 1 101 101 TRP CB C 13 30.25 0.4 . 1 . . . . . 101 TRP CB . 50649 1 393 . 1 . 1 101 101 TRP N N 15 118.35 0.2 . 1 . . . . . 101 TRP N . 50649 1 394 . 1 . 1 102 102 LYS H H 1 8.21 0.04 . 1 . . . . . 102 LYS H . 50649 1 395 . 1 . 1 102 102 LYS C C 13 173.28 0.4 . 1 . . . . . 102 LYS C . 50649 1 396 . 1 . 1 102 102 LYS CA C 13 56.65 0.4 . 1 . . . . . 102 LYS CA . 50649 1 397 . 1 . 1 102 102 LYS CB C 13 32.33 0.4 . 1 . . . . . 102 LYS CB . 50649 1 398 . 1 . 1 102 102 LYS N N 15 121.16 0.2 . 1 . . . . . 102 LYS N . 50649 1 399 . 1 . 1 103 103 ASP H H 1 7.94 0.04 . 1 . . . . . 103 ASP H . 50649 1 400 . 1 . 1 103 103 ASP C C 13 173.67 0.4 . 1 . . . . . 103 ASP C . 50649 1 401 . 1 . 1 103 103 ASP CA C 13 54.09 0.4 . 1 . . . . . 103 ASP CA . 50649 1 402 . 1 . 1 103 103 ASP CB C 13 41.13 0.4 . 1 . . . . . 103 ASP CB . 50649 1 403 . 1 . 1 103 103 ASP N N 15 122.07 0.2 . 1 . . . . . 103 ASP N . 50649 1 404 . 1 . 1 104 104 GLY H H 1 8.03 0.04 . 1 . . . . . 104 GLY H . 50649 1 405 . 1 . 1 104 104 GLY C C 13 172.00 0.4 . 1 . . . . . 104 GLY C . 50649 1 406 . 1 . 1 104 104 GLY CA C 13 45.58 0.4 . 1 . . . . . 104 GLY CA . 50649 1 407 . 1 . 1 104 104 GLY N N 15 109.35 0.2 . 1 . . . . . 104 GLY N . 50649 1 408 . 1 . 1 105 105 TRP H H 1 7.78 0.04 . 1 . . . . . 105 TRP H . 50649 1 409 . 1 . 1 105 105 TRP C C 13 173.13 0.4 . 1 . . . . . 105 TRP C . 50649 1 410 . 1 . 1 105 105 TRP CA C 13 57.86 0.4 . 1 . . . . . 105 TRP CA . 50649 1 411 . 1 . 1 105 105 TRP CB C 13 28.74 0.4 . 1 . . . . . 105 TRP CB . 50649 1 412 . 1 . 1 105 105 TRP N N 15 121.31 0.2 . 1 . . . . . 105 TRP N . 50649 1 413 . 1 . 1 106 106 ASP H H 1 8.15 0.04 . 1 . . . . . 106 ASP H . 50649 1 414 . 1 . 1 106 106 ASP C C 13 173.67 0.4 . 1 . . . . . 106 ASP C . 50649 1 415 . 1 . 1 106 106 ASP CA C 13 54.12 0.4 . 1 . . . . . 106 ASP CA . 50649 1 416 . 1 . 1 106 106 ASP CB C 13 40.72 0.4 . 1 . . . . . 106 ASP CB . 50649 1 417 . 1 . 1 106 106 ASP N N 15 121.49 0.2 . 1 . . . . . 106 ASP N . 50649 1 418 . 1 . 1 107 107 GLU H H 1 8.06 0.04 . 1 . . . . . 107 GLU H . 50649 1 419 . 1 . 1 107 107 GLU C C 13 174.17 0.4 . 1 . . . . . 107 GLU C . 50649 1 420 . 1 . 1 107 107 GLU CA C 13 57.01 0.4 . 1 . . . . . 107 GLU CA . 50649 1 421 . 1 . 1 107 107 GLU CB C 13 29.12 0.4 . 1 . . . . . 107 GLU CB . 50649 1 422 . 1 . 1 107 107 GLU N N 15 121.84 0.2 . 1 . . . . . 107 GLU N . 50649 1 423 . 1 . 1 108 108 LEU H H 1 7.93 0.04 . 1 . . . . . 108 LEU H . 50649 1 424 . 1 . 1 108 108 LEU C C 13 175.09 0.4 . 1 . . . . . 108 LEU C . 50649 1 425 . 1 . 1 108 108 LEU CA C 13 55.44 0.4 . 1 . . . . . 108 LEU CA . 50649 1 426 . 1 . 1 108 108 LEU CB C 13 41.02 0.4 . 1 . . . . . 108 LEU CB . 50649 1 427 . 1 . 1 108 108 LEU N N 15 121.30 0.2 . 1 . . . . . 108 LEU N . 50649 1 428 . 1 . 1 109 109 GLU H H 1 7.92 0.04 . 1 . . . . . 109 GLU H . 50649 1 429 . 1 . 1 109 109 GLU C C 13 173.82 0.4 . 1 . . . . . 109 GLU C . 50649 1 430 . 1 . 1 109 109 GLU CA C 13 56.52 0.4 . 1 . . . . . 109 GLU CA . 50649 1 431 . 1 . 1 109 109 GLU CB C 13 29.09 0.4 . 1 . . . . . 109 GLU CB . 50649 1 432 . 1 . 1 109 109 GLU N N 15 120.10 0.2 . 1 . . . . . 109 GLU N . 50649 1 stop_ save_