################################### # 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 50086 _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 HSQC' . . . 50086 1 2 '3D HNCACB' . . . 50086 1 3 '3D CBCA(CO)NH' . . . 50086 1 4 '3D HNCO' . . . 50086 1 5 '3D HNCA' . . . 50086 1 6 '3D HN(CO)CA' . . . 50086 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 . . 50086 1 2 $software_2 . . 50086 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ASP C C 13 177.0049 0 . 1 . . . . . 829 ASP C . 50086 1 2 . 1 . 1 2 2 ASP CA C 13 54.4613 0 . 1 . . . . . 829 ASP CA . 50086 1 3 . 1 . 1 2 2 ASP CB C 13 40.7484 0 . 1 . . . . . 829 ASP CB . 50086 1 4 . 1 . 1 3 3 GLY H H 1 8.4724 0 . 1 . . . . . 830 GLY H . 50086 1 5 . 1 . 1 3 3 GLY C C 13 174.4441 0 . 1 . . . . . 830 GLY C . 50086 1 6 . 1 . 1 3 3 GLY CA C 13 45.6963 0 . 1 . . . . . 830 GLY CA . 50086 1 7 . 1 . 1 3 3 GLY N N 15 109.1198 0 . 1 . . . . . 830 GLY N . 50086 1 8 . 1 . 1 4 4 ASN H H 1 8.3313 0 . 1 . . . . . 831 ASN H . 50086 1 9 . 1 . 1 4 4 ASN C C 13 175.256 0 . 1 . . . . . 831 ASN C . 50086 1 10 . 1 . 1 4 4 ASN CA C 13 53.4835 0 . 1 . . . . . 831 ASN CA . 50086 1 11 . 1 . 1 4 4 ASN CB C 13 38.7167 0 . 1 . . . . . 831 ASN CB . 50086 1 12 . 1 . 1 4 4 ASN N N 15 118.7124 0 . 1 . . . . . 831 ASN N . 50086 1 13 . 1 . 1 5 5 ASN H H 1 8.4616 0 . 1 . . . . . 832 ASN H . 50086 1 14 . 1 . 1 5 5 ASN C C 13 175.1947 0 . 1 . . . . . 832 ASN C . 50086 1 15 . 1 . 1 5 5 ASN CA C 13 53.4872 0 . 1 . . . . . 832 ASN CA . 50086 1 16 . 1 . 1 5 5 ASN CB C 13 38.4899 0 . 1 . . . . . 832 ASN CB . 50086 1 17 . 1 . 1 5 5 ASN N N 15 119.2858 0 . 1 . . . . . 832 ASN N . 50086 1 18 . 1 . 1 6 6 SER H H 1 8.2306 0 . 1 . . . . . 833 SER H . 50086 1 19 . 1 . 1 6 6 SER C C 13 174.046 0 . 1 . . . . . 833 SER C . 50086 1 20 . 1 . 1 6 6 SER CA C 13 58.5135 0 . 1 . . . . . 833 SER CA . 50086 1 21 . 1 . 1 6 6 SER CB C 13 63.7839 0 . 1 . . . . . 833 SER CB . 50086 1 22 . 1 . 1 6 6 SER N N 15 115.8999 0 . 1 . . . . . 833 SER N . 50086 1 23 . 1 . 1 7 7 LYS H H 1 8.2012 0 . 1 . . . . . 834 LYS H . 50086 1 24 . 1 . 1 7 7 LYS CA C 13 54.237 0 . 1 . . . . . 834 LYS CA . 50086 1 25 . 1 . 1 7 7 LYS CB C 13 32.3254 0 . 1 . . . . . 834 LYS CB . 50086 1 26 . 1 . 1 7 7 LYS N N 15 124.0631 0 . 1 . . . . . 834 LYS N . 50086 1 27 . 1 . 1 8 8 PRO C C 13 176.7682 0 . 1 . . . . . 835 PRO C . 50086 1 28 . 1 . 1 8 8 PRO CA C 13 63.1021 0 . 1 . . . . . 835 PRO CA . 50086 1 29 . 1 . 1 8 8 PRO CB C 13 31.6486 0 . 1 . . . . . 835 PRO CB . 50086 1 30 . 1 . 1 9 9 LEU H H 1 8.2657 0 . 1 . . . . . 836 LEU H . 50086 1 31 . 1 . 1 9 9 LEU C C 13 177.2695 0 . 1 . . . . . 836 LEU C . 50086 1 32 . 1 . 1 9 9 LEU CA C 13 55.1823 0 . 1 . . . . . 836 LEU CA . 50086 1 33 . 1 . 1 9 9 LEU CB C 13 42.3279 0 . 1 . . . . . 836 LEU CB . 50086 1 34 . 1 . 1 9 9 LEU N N 15 122.1946 0 . 1 . . . . . 836 LEU N . 50086 1 35 . 1 . 1 10 10 SER H H 1 8.1726 0 . 1 . . . . . 837 SER H . 50086 1 36 . 1 . 1 10 10 SER CA C 13 56.296 0 . 1 . . . . . 837 SER CA . 50086 1 37 . 1 . 1 10 10 SER CB C 13 63.6365 0 . 1 . . . . . 837 SER CB . 50086 1 38 . 1 . 1 10 10 SER N N 15 117.5733 0 . 1 . . . . . 837 SER N . 50086 1 39 . 1 . 1 11 11 PRO C C 13 177.5271 0 . 1 . . . . . 838 PRO C . 50086 1 40 . 1 . 1 11 11 PRO CA C 13 63.7261 0 . 1 . . . . . 838 PRO CA . 50086 1 41 . 1 . 1 11 11 PRO CB C 13 31.6172 0 . 1 . . . . . 838 PRO CB . 50086 1 42 . 1 . 1 12 12 GLY H H 1 8.456 0 . 1 . . . . . 839 GLY H . 50086 1 43 . 1 . 1 12 12 GLY C C 13 174.0618 0 . 1 . . . . . 839 GLY C . 50086 1 44 . 1 . 1 12 12 GLY CA C 13 45.2534 0 . 1 . . . . . 839 GLY CA . 50086 1 45 . 1 . 1 12 12 GLY N N 15 109.1329 0 . 1 . . . . . 839 GLY N . 50086 1 46 . 1 . 1 13 13 TRP H H 1 7.961 0 . 1 . . . . . 840 TRP H . 50086 1 47 . 1 . 1 13 13 TRP C C 13 176.4114 0 . 1 . . . . . 840 TRP C . 50086 1 48 . 1 . 1 13 13 TRP CA C 13 58.0239 0 . 1 . . . . . 840 TRP CA . 50086 1 49 . 1 . 1 13 13 TRP CB C 13 29.3602 0 . 1 . . . . . 840 TRP CB . 50086 1 50 . 1 . 1 13 13 TRP N N 15 121.1165 0 . 1 . . . . . 840 TRP N . 50086 1 51 . 1 . 1 14 14 THR H H 1 7.8004 0 . 1 . . . . . 841 THR H . 50086 1 52 . 1 . 1 14 14 THR C C 13 173.5343 0 . 1 . . . . . 841 THR C . 50086 1 53 . 1 . 1 14 14 THR CA C 13 61.9884 0 . 1 . . . . . 841 THR CA . 50086 1 54 . 1 . 1 14 14 THR CB C 13 70.6444 0 . 1 . . . . . 841 THR CB . 50086 1 55 . 1 . 1 14 14 THR N N 15 115.6333 0 . 1 . . . . . 841 THR N . 50086 1 56 . 1 . 1 15 15 ASP H H 1 8.1217 0 . 1 . . . . . 842 ASP H . 50086 1 57 . 1 . 1 15 15 ASP CA C 13 54.4015 0 . 1 . . . . . 842 ASP CA . 50086 1 58 . 1 . 1 15 15 ASP CB C 13 41.0515 0 . 1 . . . . . 842 ASP CB . 50086 1 59 . 1 . 1 15 15 ASP N N 15 122.0964 0 . 1 . . . . . 842 ASP N . 50086 1 60 . 1 . 1 16 16 GLN C C 13 176.5088 0 . 1 . . . . . 843 GLN C . 50086 1 61 . 1 . 1 16 16 GLN CA C 13 56.5185 0 . 1 . . . . . 843 GLN CA . 50086 1 62 . 1 . 1 16 16 GLN CB C 13 29.2013 0 . 1 . . . . . 843 GLN CB . 50086 1 63 . 1 . 1 17 17 THR H H 1 8.2036 0 . 1 . . . . . 844 THR H . 50086 1 64 . 1 . 1 17 17 THR C C 13 174.6515 0 . 1 . . . . . 844 THR C . 50086 1 65 . 1 . 1 17 17 THR CA C 13 62.9174 0 . 1 . . . . . 844 THR CA . 50086 1 66 . 1 . 1 17 17 THR CB C 13 69.8468 0 . 1 . . . . . 844 THR CB . 50086 1 67 . 1 . 1 17 17 THR N N 15 114.6513 0 . 1 . . . . . 844 THR N . 50086 1 68 . 1 . 1 18 18 ALA H H 1 8.1031 0 . 1 . . . . . 845 ALA H . 50086 1 69 . 1 . 1 18 18 ALA C C 13 177.4801 0 . 1 . . . . . 845 ALA C . 50086 1 70 . 1 . 1 18 18 ALA CA C 13 52.6412 0 . 1 . . . . . 845 ALA CA . 50086 1 71 . 1 . 1 18 18 ALA CB C 13 19.0197 0 . 1 . . . . . 845 ALA CB . 50086 1 72 . 1 . 1 18 18 ALA N N 15 125.4904 0 . 1 . . . . . 845 ALA N . 50086 1 73 . 1 . 1 19 19 TYR H H 1 7.9911 0 . 1 . . . . . 846 TYR H . 50086 1 74 . 1 . 1 19 19 TYR C C 13 175.716 0 . 1 . . . . . 846 TYR C . 50086 1 75 . 1 . 1 19 19 TYR CA C 13 58.2956 0 . 1 . . . . . 846 TYR CA . 50086 1 76 . 1 . 1 19 19 TYR CB C 13 38.6286 0 . 1 . . . . . 846 TYR CB . 50086 1 77 . 1 . 1 19 19 TYR N N 15 119.0709 0 . 1 . . . . . 846 TYR N . 50086 1 78 . 1 . 1 20 20 ASN H H 1 8.1359 0 . 1 . . . . . 847 ASN H . 50086 1 79 . 1 . 1 20 20 ASN C C 13 174.9355 0 . 1 . . . . . 847 ASN C . 50086 1 80 . 1 . 1 20 20 ASN CA C 13 53.0205 0 . 1 . . . . . 847 ASN CA . 50086 1 81 . 1 . 1 20 20 ASN CB C 13 38.8347 0 . 1 . . . . . 847 ASN CB . 50086 1 82 . 1 . 1 20 20 ASN N N 15 120.5036 0 . 1 . . . . . 847 ASN N . 50086 1 83 . 1 . 1 21 21 ALA H H 1 8.0552 0 . 1 . . . . . 848 ALA H . 50086 1 84 . 1 . 1 21 21 ALA C C 13 177.5468 0 . 1 . . . . . 848 ALA C . 50086 1 85 . 1 . 1 21 21 ALA CA C 13 52.6936 0 . 1 . . . . . 848 ALA CA . 50086 1 86 . 1 . 1 21 21 ALA CB C 13 19.0008 0 . 1 . . . . . 848 ALA CB . 50086 1 87 . 1 . 1 21 21 ALA N N 15 123.9128 0 . 1 . . . . . 848 ALA N . 50086 1 88 . 1 . 1 22 22 PHE H H 1 8.0504 0 . 1 . . . . . 849 PHE H . 50086 1 89 . 1 . 1 22 22 PHE C C 13 176.4039 0 . 1 . . . . . 849 PHE C . 50086 1 90 . 1 . 1 22 22 PHE CA C 13 58.1719 0 . 1 . . . . . 849 PHE CA . 50086 1 91 . 1 . 1 22 22 PHE CB C 13 39.3383 0 . 1 . . . . . 849 PHE CB . 50086 1 92 . 1 . 1 22 22 PHE N N 15 117.7723 0 . 1 . . . . . 849 PHE N . 50086 1 93 . 1 . 1 23 23 GLY H H 1 8.1219 0 . 1 . . . . . 850 GLY H . 50086 1 94 . 1 . 1 23 23 GLY C C 13 173.9782 0 . 1 . . . . . 850 GLY C . 50086 1 95 . 1 . 1 23 23 GLY CA C 13 45.6044 0 . 1 . . . . . 850 GLY CA . 50086 1 96 . 1 . 1 23 23 GLY N N 15 109.704 0 . 1 . . . . . 850 GLY N . 50086 1 97 . 1 . 1 24 24 ILE H H 1 7.9172 0 . 1 . . . . . 851 ILE H . 50086 1 98 . 1 . 1 24 24 ILE C C 13 176.7631 0 . 1 . . . . . 851 ILE C . 50086 1 99 . 1 . 1 24 24 ILE CA C 13 61.3389 0 . 1 . . . . . 851 ILE CA . 50086 1 100 . 1 . 1 24 24 ILE CB C 13 38.6472 0 . 1 . . . . . 851 ILE CB . 50086 1 101 . 1 . 1 24 24 ILE N N 15 119.9103 0 . 1 . . . . . 851 ILE N . 50086 1 102 . 1 . 1 25 25 THR H H 1 8.2876 0 . 1 . . . . . 852 THR H . 50086 1 103 . 1 . 1 25 25 THR C C 13 174.811 0 . 1 . . . . . 852 THR C . 50086 1 104 . 1 . 1 25 25 THR CA C 13 62.0097 0 . 1 . . . . . 852 THR CA . 50086 1 105 . 1 . 1 25 25 THR CB C 13 69.879 0 . 1 . . . . . 852 THR CB . 50086 1 106 . 1 . 1 25 25 THR N N 15 117.5734 0 . 1 . . . . . 852 THR N . 50086 1 107 . 1 . 1 26 26 THR H H 1 8.0867 0 . 1 . . . . . 853 THR H . 50086 1 108 . 1 . 1 26 26 THR C C 13 175.0664 0 . 1 . . . . . 853 THR C . 50086 1 109 . 1 . 1 26 26 THR CA C 13 62.0258 0 . 1 . . . . . 853 THR CA . 50086 1 110 . 1 . 1 26 26 THR CB C 13 69.8682 0 . 1 . . . . . 853 THR CB . 50086 1 111 . 1 . 1 26 26 THR N N 15 115.6949 0 . 1 . . . . . 853 THR N . 50086 1 112 . 1 . 1 27 27 GLY H H 1 8.3634 0 . 1 . . . . . 854 GLY H . 50086 1 113 . 1 . 1 27 27 GLY C C 13 174.0324 0 . 1 . . . . . 854 GLY C . 50086 1 114 . 1 . 1 27 27 GLY CA C 13 45.5814 0 . 1 . . . . . 854 GLY CA . 50086 1 115 . 1 . 1 27 27 GLY N N 15 110.8754 0 . 1 . . . . . 854 GLY N . 50086 1 116 . 1 . 1 28 28 MET H H 1 8.04 0 . 1 . . . . . 855 MET H . 50086 1 117 . 1 . 1 28 28 MET C C 13 175.802 0 . 1 . . . . . 855 MET C . 50086 1 118 . 1 . 1 28 28 MET CA C 13 55.7263 0 . 1 . . . . . 855 MET CA . 50086 1 119 . 1 . 1 28 28 MET CB C 13 33.0904 0 . 1 . . . . . 855 MET CB . 50086 1 120 . 1 . 1 28 28 MET N N 15 119.4254 0 . 1 . . . . . 855 MET N . 50086 1 121 . 1 . 1 29 29 PHE H H 1 8.1965 0 . 1 . . . . . 856 PHE H . 50086 1 122 . 1 . 1 29 29 PHE C C 13 175.2912 0 . 1 . . . . . 856 PHE C . 50086 1 123 . 1 . 1 29 29 PHE CA C 13 57.4932 0 . 1 . . . . . 856 PHE CA . 50086 1 124 . 1 . 1 29 29 PHE CB C 13 39.3604 0 . 1 . . . . . 856 PHE CB . 50086 1 125 . 1 . 1 29 29 PHE N N 15 120.2312 0 . 1 . . . . . 856 PHE N . 50086 1 126 . 1 . 1 30 30 ASN H H 1 8.373 0 . 1 . . . . . 857 ASN H . 50086 1 127 . 1 . 1 30 30 ASN C C 13 175.1852 0 . 1 . . . . . 857 ASN C . 50086 1 128 . 1 . 1 30 30 ASN CA C 13 53.2737 0 . 1 . . . . . 857 ASN CA . 50086 1 129 . 1 . 1 30 30 ASN CB C 13 39.0559 0 . 1 . . . . . 857 ASN CB . 50086 1 130 . 1 . 1 30 30 ASN N N 15 120.222 0 . 1 . . . . . 857 ASN N . 50086 1 131 . 1 . 1 31 31 THR H H 1 8.1745 0 . 1 . . . . . 858 THR H . 50086 1 132 . 1 . 1 31 31 THR C C 13 174.8068 0 . 1 . . . . . 858 THR C . 50086 1 133 . 1 . 1 31 31 THR CA C 13 62.0278 0 . 1 . . . . . 858 THR CA . 50086 1 134 . 1 . 1 31 31 THR CB C 13 69.6518 0 . 1 . . . . . 858 THR CB . 50086 1 135 . 1 . 1 31 31 THR N N 15 114.1555 0 . 1 . . . . . 858 THR N . 50086 1 136 . 1 . 1 32 32 THR H H 1 8.2558 0 . 1 . . . . . 859 THR H . 50086 1 137 . 1 . 1 32 32 THR C C 13 174.7653 0 . 1 . . . . . 859 THR C . 50086 1 138 . 1 . 1 32 32 THR CA C 13 62.1411 0 . 1 . . . . . 859 THR CA . 50086 1 139 . 1 . 1 32 32 THR CB C 13 69.9712 0 . 1 . . . . . 859 THR CB . 50086 1 140 . 1 . 1 32 32 THR N N 15 116.0751 0 . 1 . . . . . 859 THR N . 50086 1 141 . 1 . 1 33 33 THR H H 1 8.2009 0 . 1 . . . . . 860 THR H . 50086 1 142 . 1 . 1 33 33 THR C C 13 174.5892 0 . 1 . . . . . 860 THR C . 50086 1 143 . 1 . 1 33 33 THR CA C 13 61.9134 0 . 1 . . . . . 860 THR CA . 50086 1 144 . 1 . 1 33 33 THR CB C 13 69.7434 0 . 1 . . . . . 860 THR CB . 50086 1 145 . 1 . 1 33 33 THR N N 15 116.0391 0 . 1 . . . . . 860 THR N . 50086 1 146 . 1 . 1 34 34 MET H H 1 8.3794 0 . 1 . . . . . 861 MET H . 50086 1 147 . 1 . 1 34 34 MET C C 13 175.9421 0 . 1 . . . . . 861 MET C . 50086 1 148 . 1 . 1 34 34 MET CA C 13 55.8249 0 . 1 . . . . . 861 MET CA . 50086 1 149 . 1 . 1 34 34 MET CB C 13 33.0412 0 . 1 . . . . . 861 MET CB . 50086 1 150 . 1 . 1 34 34 MET N N 15 122.2326 0 . 1 . . . . . 861 MET N . 50086 1 151 . 1 . 1 35 35 ASP H H 1 8.2683 0 . 1 . . . . . 862 ASP H . 50086 1 152 . 1 . 1 35 35 ASP CA C 13 54.3158 0 . 1 . . . . . 862 ASP CA . 50086 1 153 . 1 . 1 35 35 ASP CB C 13 41.626 0 . 1 . . . . . 862 ASP CB . 50086 1 154 . 1 . 1 35 35 ASP N N 15 121.0738 0 . 1 . . . . . 862 ASP N . 50086 1 155 . 1 . 1 36 36 ASP H H 1 8.2438 0 . 1 . . . . . 863 ASP H . 50086 1 156 . 1 . 1 36 36 ASP C C 13 176.3696 0 . 1 . . . . . 863 ASP C . 50086 1 157 . 1 . 1 36 36 ASP CA C 13 54.2924 0 . 1 . . . . . 863 ASP CA . 50086 1 158 . 1 . 1 36 36 ASP CB C 13 41.6128 0 . 1 . . . . . 863 ASP CB . 50086 1 159 . 1 . 1 36 36 ASP N N 15 120.2643 0 . 1 . . . . . 863 ASP N . 50086 1 160 . 1 . 1 37 37 VAL H H 1 7.882 0 . 1 . . . . . 864 VAL H . 50086 1 161 . 1 . 1 37 37 VAL C C 13 176.042 0 . 1 . . . . . 864 VAL C . 50086 1 162 . 1 . 1 37 37 VAL CA C 13 62.8408 0 . 1 . . . . . 864 VAL CA . 50086 1 163 . 1 . 1 37 37 VAL CB C 13 32.3408 0 . 1 . . . . . 864 VAL CB . 50086 1 164 . 1 . 1 37 37 VAL N N 15 119.03 0 . 1 . . . . . 864 VAL N . 50086 1 165 . 1 . 1 38 38 TYR H H 1 8.1214 0 . 1 . . . . . 865 TYR H . 50086 1 166 . 1 . 1 38 38 TYR C C 13 175.4523 0 . 1 . . . . . 865 TYR C . 50086 1 167 . 1 . 1 38 38 TYR CA C 13 58.1633 0 . 1 . . . . . 865 TYR CA . 50086 1 168 . 1 . 1 38 38 TYR CB C 13 38.6152 0 . 1 . . . . . 865 TYR CB . 50086 1 169 . 1 . 1 38 38 TYR N N 15 122.3105 0 . 1 . . . . . 865 TYR N . 50086 1 170 . 1 . 1 39 39 ASN H H 1 8.0795 0 . 1 . . . . . 866 ASN H . 50086 1 171 . 1 . 1 39 39 ASN C C 13 174.6221 0 . 1 . . . . . 866 ASN C . 50086 1 172 . 1 . 1 39 39 ASN CA C 13 53.2234 0 . 1 . . . . . 866 ASN CA . 50086 1 173 . 1 . 1 39 39 ASN CB C 13 38.6841 0 . 1 . . . . . 866 ASN CB . 50086 1 174 . 1 . 1 39 39 ASN N N 15 120.282 0 . 1 . . . . . 866 ASN N . 50086 1 175 . 1 . 1 40 40 TYR H H 1 7.9021 0 . 1 . . . . . 867 TYR H . 50086 1 176 . 1 . 1 40 40 TYR C C 13 175.3685 0 . 1 . . . . . 867 TYR C . 50086 1 177 . 1 . 1 40 40 TYR CA C 13 58.1048 0 . 1 . . . . . 867 TYR CA . 50086 1 178 . 1 . 1 40 40 TYR CB C 13 38.9417 0 . 1 . . . . . 867 TYR CB . 50086 1 179 . 1 . 1 40 40 TYR N N 15 120.3708 0 . 1 . . . . . 867 TYR N . 50086 1 180 . 1 . 1 41 41 LEU H H 1 7.846 0 . 1 . . . . . 868 LEU H . 50086 1 181 . 1 . 1 41 41 LEU C C 13 176.6236 0 . 1 . . . . . 868 LEU C . 50086 1 182 . 1 . 1 41 41 LEU CA C 13 54.9805 0 . 1 . . . . . 868 LEU CA . 50086 1 183 . 1 . 1 41 41 LEU CB C 13 42.5185 0 . 1 . . . . . 868 LEU CB . 50086 1 184 . 1 . 1 41 41 LEU N N 15 122.9638 0 . 1 . . . . . 868 LEU N . 50086 1 185 . 1 . 1 42 42 PHE H H 1 7.938 0 . 1 . . . . . 869 PHE H . 50086 1 186 . 1 . 1 42 42 PHE C C 13 175.3303 0 . 1 . . . . . 869 PHE C . 50086 1 187 . 1 . 1 42 42 PHE CA C 13 57.4626 0 . 1 . . . . . 869 PHE CA . 50086 1 188 . 1 . 1 42 42 PHE CB C 13 39.3865 0 . 1 . . . . . 869 PHE CB . 50086 1 189 . 1 . 1 42 42 PHE N N 15 120.1102 0 . 1 . . . . . 869 PHE N . 50086 1 190 . 1 . 1 43 43 ASP H H 1 8.2505 0 . 1 . . . . . 870 ASP H . 50086 1 191 . 1 . 1 43 43 ASP CA C 13 54.3865 0 . 1 . . . . . 870 ASP CA . 50086 1 192 . 1 . 1 43 43 ASP CB C 13 41.9158 0 . 1 . . . . . 870 ASP CB . 50086 1 193 . 1 . 1 43 43 ASP N N 15 121.8381 0 . 1 . . . . . 870 ASP N . 50086 1 194 . 1 . 1 44 44 ASP C C 13 176.398 0 . 1 . . . . . 871 ASP C . 50086 1 195 . 1 . 1 44 44 ASP N N 15 121.0191 0 . 1 . . . . . 871 ASP N . 50086 1 196 . 1 . 1 45 45 GLU H H 1 8.3854 0 . 1 . . . . . 872 GLU H . 50086 1 197 . 1 . 1 45 45 GLU C C 13 176.5079 0 . 1 . . . . . 872 GLU C . 50086 1 198 . 1 . 1 45 45 GLU CA C 13 56.5901 0 . 1 . . . . . 872 GLU CA . 50086 1 199 . 1 . 1 45 45 GLU CB C 13 30.0335 0 . 1 . . . . . 872 GLU CB . 50086 1 200 . 1 . 1 45 45 GLU N N 15 120.8502 0 . 1 . . . . . 872 GLU N . 50086 1 201 . 1 . 1 46 46 ASP C C 13 176.0096 0 . 1 . . . . . 873 ASP C . 50086 1 202 . 1 . 1 46 46 ASP CA C 13 54.2363 0 . 1 . . . . . 873 ASP CA . 50086 1 203 . 1 . 1 46 46 ASP CB C 13 41.6669 0 . 1 . . . . . 873 ASP CB . 50086 1 204 . 1 . 1 46 46 ASP N N 15 121.1855 0 . 1 . . . . . 873 ASP N . 50086 1 205 . 1 . 1 47 47 THR H H 1 8.0488 0 . 1 . . . . . 874 THR H . 50086 1 206 . 1 . 1 47 47 THR CA C 13 59.8101 0 . 1 . . . . . 874 THR CA . 50086 1 207 . 1 . 1 47 47 THR CB C 13 69.9447 0 . 1 . . . . . 874 THR CB . 50086 1 208 . 1 . 1 47 47 THR N N 15 117.105 0 . 1 . . . . . 874 THR N . 50086 1 209 . 1 . 1 49 49 PRO C C 13 176.4056 0 . 1 . . . . . 876 PRO C . 50086 1 210 . 1 . 1 49 49 PRO CA C 13 62.9298 0 . 1 . . . . . 876 PRO CA . 50086 1 211 . 1 . 1 49 49 PRO CB C 13 31.9338 0 . 1 . . . . . 876 PRO CB . 50086 1 212 . 1 . 1 50 50 ASN H H 1 8.45 0 . 1 . . . . . 877 ASN H . 50086 1 213 . 1 . 1 50 50 ASN CA C 13 51.2223 0 . 1 . . . . . 877 ASN CA . 50086 1 214 . 1 . 1 50 50 ASN CB C 13 39.1081 0 . 1 . . . . . 877 ASN CB . 50086 1 215 . 1 . 1 50 50 ASN N N 15 119.3596 0 . 1 . . . . . 877 ASN N . 50086 1 216 . 1 . 1 51 51 PRO C C 13 176.7429 0 . 1 . . . . . 878 PRO C . 50086 1 217 . 1 . 1 51 51 PRO CA C 13 63.6435 0 . 1 . . . . . 878 PRO CA . 50086 1 218 . 1 . 1 51 51 PRO CB C 13 32.0077 0 . 1 . . . . . 878 PRO CB . 50086 1 219 . 1 . 1 52 52 LYS H H 1 8.3126 0 . 1 . . . . . 879 LYS H . 50086 1 220 . 1 . 1 52 52 LYS C C 13 176.3043 0 . 1 . . . . . 879 LYS C . 50086 1 221 . 1 . 1 52 52 LYS CA C 13 56.5519 0 . 1 . . . . . 879 LYS CA . 50086 1 222 . 1 . 1 52 52 LYS CB C 13 33.0171 0 . 1 . . . . . 879 LYS CB . 50086 1 223 . 1 . 1 52 52 LYS N N 15 121.407 0 . 1 . . . . . 879 LYS N . 50086 1 224 . 1 . 1 53 53 LYS H H 1 8.3342 0 . 1 . . . . . 880 LYS H . 50086 1 225 . 1 . 1 53 53 LYS C C 13 175.4702 0 . 1 . . . . . 880 LYS C . 50086 1 226 . 1 . 1 53 53 LYS CA C 13 56.5539 0 . 1 . . . . . 880 LYS CA . 50086 1 227 . 1 . 1 53 53 LYS CB C 13 33.116 0 . 1 . . . . . 880 LYS CB . 50086 1 228 . 1 . 1 53 53 LYS N N 15 124.0464 0 . 1 . . . . . 880 LYS N . 50086 1 229 . 1 . 1 54 54 GLU H H 1 8.0172 0 . 1 . . . . . 881 GLU H . 50086 1 230 . 1 . 1 54 54 GLU CA C 13 58.3605 0 . 1 . . . . . 881 GLU CA . 50086 1 231 . 1 . 1 54 54 GLU CB C 13 31.1197 0 . 1 . . . . . 881 GLU CB . 50086 1 232 . 1 . 1 54 54 GLU N N 15 127.655 0 . 1 . . . . . 881 GLU N . 50086 1 stop_ save_