################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19568 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 19568 1 4 '3D HNCACB' . . . 19568 1 5 '3D HNCO' . . . 19568 1 6 '3D HBHA(CO)NH' . . . 19568 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 HA H 1 4.403 0.05 . 1 . . . A 1 MET HA . 19568 1 2 . 1 1 1 1 MET C C 13 176.208 0.2 . 1 . . . A 1 MET C . 19568 1 3 . 1 1 1 1 MET CA C 13 55.045 0.2 . 1 . . . A 1 MET CA . 19568 1 4 . 1 1 1 1 MET CB C 13 33.055 0.2 . 1 . . . A 1 MET CB . 19568 1 5 . 1 1 1 1 MET N N 15 128.215 0.1 . 1 . . . A 1 MET N . 19568 1 6 . 1 1 2 2 THR H H 1 8.100 0.05 . 1 . . . A 2 THR H . 19568 1 7 . 1 1 2 2 THR HA H 1 4.076 0.05 . 1 . . . A 2 THR HA . 19568 1 8 . 1 1 2 2 THR C C 13 174.729 0.2 . 1 . . . A 2 THR C . 19568 1 9 . 1 1 2 2 THR CA C 13 63.234 0.2 . 1 . . . A 2 THR CA . 19568 1 10 . 1 1 2 2 THR CB C 13 69.247 0.2 . 1 . . . A 2 THR CB . 19568 1 11 . 1 1 2 2 THR N N 15 113.734 0.1 . 1 . . . A 2 THR N . 19568 1 12 . 1 1 3 3 TYR H H 1 7.911 0.05 . 1 . . . A 3 TYR H . 19568 1 13 . 1 1 3 3 TYR HA H 1 4.239 0.05 . 1 . . . A 3 TYR HA . 19568 1 14 . 1 1 3 3 TYR C C 13 175.468 0.2 . 1 . . . A 3 TYR C . 19568 1 15 . 1 1 3 3 TYR CA C 13 59.361 0.2 . 1 . . . A 3 TYR CA . 19568 1 16 . 1 1 3 3 TYR CB C 13 38.536 0.2 . 1 . . . A 3 TYR CB . 19568 1 17 . 1 1 3 3 TYR N N 15 119.785 0.1 . 1 . . . A 3 TYR N . 19568 1 18 . 1 1 4 4 PHE H H 1 7.634 0.05 . 1 . . . A 4 PHE H . 19568 1 19 . 1 1 4 4 PHE HA H 1 4.440 0.05 . 1 . . . A 4 PHE HA . 19568 1 20 . 1 1 4 4 PHE C C 13 174.872 0.2 . 1 . . . A 4 PHE C . 19568 1 21 . 1 1 4 4 PHE CA C 13 58.593 0.2 . 1 . . . A 4 PHE CA . 19568 1 22 . 1 1 4 4 PHE CB C 13 39.220 0.2 . 1 . . . A 4 PHE CB . 19568 1 23 . 1 1 4 4 PHE N N 15 117.223 0.1 . 1 . . . A 4 PHE N . 19568 1 24 . 1 1 5 5 TYR H H 1 7.877 0.05 . 1 . . . A 5 TYR H . 19568 1 25 . 1 1 5 5 TYR HA H 1 4.539 0.05 . 1 . . . A 5 TYR HA . 19568 1 26 . 1 1 5 5 TYR C C 13 176.539 0.2 . 1 . . . A 5 TYR C . 19568 1 27 . 1 1 5 5 TYR CA C 13 58.768 0.2 . 1 . . . A 5 TYR CA . 19568 1 28 . 1 1 5 5 TYR CB C 13 38.267 0.2 . 1 . . . A 5 TYR CB . 19568 1 29 . 1 1 5 5 TYR N N 15 118.715 0.1 . 1 . . . A 5 TYR N . 19568 1 30 . 1 1 6 6 VAL H H 1 7.930 0.05 . 1 . . . A 6 VAL H . 19568 1 31 . 1 1 6 6 VAL HA H 1 3.934 0.05 . 1 . . . A 6 VAL HA . 19568 1 32 . 1 1 6 6 VAL C C 13 176.487 0.2 . 1 . . . A 6 VAL C . 19568 1 33 . 1 1 6 6 VAL CA C 13 64.462 0.2 . 1 . . . A 6 VAL CA . 19568 1 34 . 1 1 6 6 VAL CB C 13 31.983 0.2 . 1 . . . A 6 VAL CB . 19568 1 35 . 1 1 6 6 VAL N N 15 118.275 0.1 . 1 . . . A 6 VAL N . 19568 1 36 . 1 1 7 7 THR H H 1 7.814 0.05 . 1 . . . A 7 THR H . 19568 1 37 . 1 1 7 7 THR HA H 1 4.212 0.05 . 1 . . . A 7 THR HA . 19568 1 38 . 1 1 7 7 THR C C 13 175.536 0.2 . 1 . . . A 7 THR C . 19568 1 39 . 1 1 7 7 THR CA C 13 64.289 0.2 . 1 . . . A 7 THR CA . 19568 1 40 . 1 1 7 7 THR CB C 13 68.479 0.2 . 1 . . . A 7 THR CB . 19568 1 41 . 1 1 7 7 THR N N 15 111.175 0.1 . 1 . . . A 7 THR N . 19568 1 42 . 1 1 8 8 ASP H H 1 8.006 0.05 . 1 . . . A 8 ASP H . 19568 1 43 . 1 1 8 8 ASP HA H 1 4.446 0.05 . 1 . . . A 8 ASP HA . 19568 1 44 . 1 1 8 8 ASP CA C 13 56.017 0.2 . 1 . . . A 8 ASP CA . 19568 1 45 . 1 1 8 8 ASP CB C 13 40.695 0.2 . 1 . . . A 8 ASP CB . 19568 1 46 . 1 1 8 8 ASP N N 15 121.151 0.1 . 1 . . . A 8 ASP N . 19568 1 47 . 1 1 9 9 TYR H H 1 7.726 0.05 . 1 . . . A 9 TYR H . 19568 1 48 . 1 1 9 9 TYR HA H 1 4.341 0.05 . 1 . . . A 9 TYR HA . 19568 1 49 . 1 1 9 9 TYR C C 13 176.025 0.2 . 1 . . . A 9 TYR C . 19568 1 50 . 1 1 9 9 TYR CA C 13 59.525 0.2 . 1 . . . A 9 TYR CA . 19568 1 51 . 1 1 9 9 TYR CB C 13 39.333 0.2 . 1 . . . A 9 TYR CB . 19568 1 52 . 1 1 9 9 TYR N N 15 117.806 0.1 . 1 . . . A 9 TYR N . 19568 1 53 . 1 1 10 10 LEU H H 1 7.514 0.05 . 1 . . . A 10 LEU H . 19568 1 54 . 1 1 10 10 LEU HA H 1 4.277 0.05 . 1 . . . A 10 LEU HA . 19568 1 55 . 1 1 10 10 LEU C C 13 175.391 0.2 . 1 . . . A 10 LEU C . 19568 1 56 . 1 1 10 10 LEU CA C 13 54.693 0.2 . 1 . . . A 10 LEU CA . 19568 1 57 . 1 1 10 10 LEU CB C 13 43.009 0.2 . 1 . . . A 10 LEU CB . 19568 1 58 . 1 1 10 10 LEU N N 15 116.985 0.1 . 1 . . . A 10 LEU N . 19568 1 59 . 1 1 11 11 ASP H H 1 7.978 0.05 . 1 . . . A 11 ASP H . 19568 1 60 . 1 1 11 11 ASP HA H 1 4.516 0.05 . 1 . . . A 11 ASP HA . 19568 1 61 . 1 1 11 11 ASP HB3 H 1 2.429 0.05 . 2 . . . A 11 ASP HB3 . 19568 1 62 . 1 1 11 11 ASP CA C 13 53.877 0.2 . 1 . . . A 11 ASP CA . 19568 1 63 . 1 1 11 11 ASP CB C 13 40.610 0.2 . 1 . . . A 11 ASP CB . 19568 1 64 . 1 1 11 11 ASP N N 15 120.049 0.1 . 1 . . . A 11 ASP N . 19568 1 65 . 1 1 12 12 VAL H H 1 7.780 0.05 . 1 . . . A 12 VAL H . 19568 1 66 . 1 1 12 12 VAL CA C 13 59.819 0.2 . 1 . . . A 12 VAL CA . 19568 1 67 . 1 1 12 12 VAL N N 15 118.837 0.1 . 1 . . . A 12 VAL N . 19568 1 68 . 1 1 13 13 PRO HA H 1 4.080 0.05 . 1 . . . A 13 PRO HA . 19568 1 69 . 1 1 13 13 PRO CA C 13 63.373 0.2 . 1 . . . A 13 PRO CA . 19568 1 70 . 1 1 13 13 PRO CB C 13 31.965 0.2 . 1 . . . A 13 PRO CB . 19568 1 71 . 1 1 14 14 SER H H 1 8.631 0.05 . 1 . . . A 14 SER H . 19568 1 72 . 1 1 14 14 SER HA H 1 4.080 0.05 . 1 . . . A 14 SER HA . 19568 1 73 . 1 1 14 14 SER CA C 13 61.149 0.2 . 1 . . . A 14 SER CA . 19568 1 74 . 1 1 14 14 SER N N 15 117.102 0.1 . 1 . . . A 14 SER N . 19568 1 75 . 1 1 15 15 ASN H H 1 8.500 0.05 . 1 . . . A 15 ASN H . 19568 1 76 . 1 1 15 15 ASN HA H 1 4.504 0.05 . 1 . . . A 15 ASN HA . 19568 1 77 . 1 1 15 15 ASN C C 13 176.447 0.2 . 1 . . . A 15 ASN C . 19568 1 78 . 1 1 15 15 ASN CA C 13 55.409 0.2 . 1 . . . A 15 ASN CA . 19568 1 79 . 1 1 15 15 ASN CB C 13 37.458 0.2 . 1 . . . A 15 ASN CB . 19568 1 80 . 1 1 15 15 ASN N N 15 118.240 0.1 . 1 . . . A 15 ASN N . 19568 1 81 . 1 1 16 16 ILE H H 1 7.499 0.05 . 1 . . . A 16 ILE H . 19568 1 82 . 1 1 16 16 ILE HA H 1 3.985 0.05 . 1 . . . A 16 ILE HA . 19568 1 83 . 1 1 16 16 ILE HB H 1 1.991 0.05 . 1 . . . A 16 ILE HB . 19568 1 84 . 1 1 16 16 ILE C C 13 176.784 0.2 . 1 . . . A 16 ILE C . 19568 1 85 . 1 1 16 16 ILE CA C 13 62.338 0.2 . 1 . . . A 16 ILE CA . 19568 1 86 . 1 1 16 16 ILE CB C 13 37.645 0.2 . 1 . . . A 16 ILE CB . 19568 1 87 . 1 1 16 16 ILE N N 15 118.674 0.1 . 1 . . . A 16 ILE N . 19568 1 88 . 1 1 17 17 ALA H H 1 8.154 0.05 . 1 . . . A 17 ALA H . 19568 1 89 . 1 1 17 17 ALA HA H 1 3.906 0.05 . 1 . . . A 17 ALA HA . 19568 1 90 . 1 1 17 17 ALA C C 13 178.295 0.2 . 1 . . . A 17 ALA C . 19568 1 91 . 1 1 17 17 ALA CA C 13 55.267 0.2 . 1 . . . A 17 ALA CA . 19568 1 92 . 1 1 17 17 ALA CB C 13 18.538 0.2 . 1 . . . A 17 ALA CB . 19568 1 93 . 1 1 17 17 ALA N N 15 123.146 0.1 . 1 . . . A 17 ALA N . 19568 1 94 . 1 1 18 18 LYS H H 1 7.867 0.05 . 1 . . . A 18 LYS H . 19568 1 95 . 1 1 18 18 LYS HA H 1 3.949 0.05 . 1 . . . A 18 LYS HA . 19568 1 96 . 1 1 18 18 LYS C C 13 177.195 0.2 . 1 . . . A 18 LYS C . 19568 1 97 . 1 1 18 18 LYS CA C 13 59.407 0.2 . 1 . . . A 18 LYS CA . 19568 1 98 . 1 1 18 18 LYS CB C 13 32.787 0.2 . 1 . . . A 18 LYS CB . 19568 1 99 . 1 1 18 18 LYS N N 15 113.996 0.1 . 1 . . . A 18 LYS N . 19568 1 100 . 1 1 19 19 ILE H H 1 7.395 0.05 . 1 . . . A 19 ILE H . 19568 1 101 . 1 1 19 19 ILE HA H 1 4.050 0.05 . 1 . . . A 19 ILE HA . 19568 1 102 . 1 1 19 19 ILE HB H 1 2.017 0.05 . 1 . . . A 19 ILE HB . 19568 1 103 . 1 1 19 19 ILE C C 13 175.727 0.2 . 1 . . . A 19 ILE C . 19568 1 104 . 1 1 19 19 ILE CA C 13 62.912 0.2 . 1 . . . A 19 ILE CA . 19568 1 105 . 1 1 19 19 ILE CB C 13 38.712 0.2 . 1 . . . A 19 ILE CB . 19568 1 106 . 1 1 19 19 ILE N N 15 115.051 0.1 . 1 . . . A 19 ILE N . 19568 1 107 . 1 1 20 20 ILE H H 1 7.468 0.05 . 1 . . . A 20 ILE H . 19568 1 108 . 1 1 20 20 ILE CA C 13 62.423 0.2 . 1 . . . A 20 ILE CA . 19568 1 109 . 1 1 20 20 ILE CB C 13 38.872 0.2 . 1 . . . A 20 ILE CB . 19568 1 110 . 1 1 20 20 ILE N N 15 113.857 0.1 . 1 . . . A 20 ILE N . 19568 1 111 . 1 1 21 21 ILE HA H 1 3.863 0.05 . 1 . . . A 21 ILE HA . 19568 1 112 . 1 1 21 21 ILE C C 13 176.210 0.2 . 1 . . . A 21 ILE C . 19568 1 113 . 1 1 21 21 ILE CA C 13 64.096 0.2 . 1 . . . A 21 ILE CA . 19568 1 114 . 1 1 22 22 GLY H H 1 8.473 0.05 . 1 . . . A 22 GLY H . 19568 1 115 . 1 1 22 22 GLY CA C 13 48.239 0.2 . 1 . . . A 22 GLY CA . 19568 1 116 . 1 1 22 22 GLY N N 15 106.975 0.1 . 1 . . . A 22 GLY N . 19568 1 117 . 1 1 23 23 PRO C C 13 177.086 0.2 . 1 . . . A 23 PRO C . 19568 1 118 . 1 1 23 23 PRO CA C 13 65.877 0.2 . 1 . . . A 23 PRO CA . 19568 1 119 . 1 1 23 23 PRO CB C 13 32.062 0.2 . 1 . . . A 23 PRO CB . 19568 1 120 . 1 1 24 24 LEU H H 1 7.855 0.05 . 1 . . . A 24 LEU H . 19568 1 121 . 1 1 24 24 LEU HA H 1 4.087 0.05 . 1 . . . A 24 LEU HA . 19568 1 122 . 1 1 24 24 LEU C C 13 178.191 0.2 . 1 . . . A 24 LEU C . 19568 1 123 . 1 1 24 24 LEU CA C 13 58.482 0.2 . 1 . . . A 24 LEU CA . 19568 1 124 . 1 1 24 24 LEU CB C 13 41.967 0.2 . 1 . . . A 24 LEU CB . 19568 1 125 . 1 1 24 24 LEU N N 15 115.805 0.1 . 1 . . . A 24 LEU N . 19568 1 126 . 1 1 25 25 ILE H H 1 8.373 0.05 . 1 . . . A 25 ILE H . 19568 1 127 . 1 1 25 25 ILE HA H 1 3.723 0.05 . 1 . . . A 25 ILE HA . 19568 1 128 . 1 1 25 25 ILE HB H 1 2.095 0.05 . 1 . . . A 25 ILE HB . 19568 1 129 . 1 1 25 25 ILE C C 13 177.615 0.2 . 1 . . . A 25 ILE C . 19568 1 130 . 1 1 25 25 ILE CA C 13 65.390 0.2 . 1 . . . A 25 ILE CA . 19568 1 131 . 1 1 25 25 ILE CB C 13 37.068 0.2 . 1 . . . A 25 ILE CB . 19568 1 132 . 1 1 25 25 ILE N N 15 118.715 0.1 . 1 . . . A 25 ILE N . 19568 1 133 . 1 1 26 26 PHE H H 1 8.191 0.05 . 1 . . . A 26 PHE H . 19568 1 134 . 1 1 26 26 PHE HA H 1 3.982 0.05 . 1 . . . A 26 PHE HA . 19568 1 135 . 1 1 26 26 PHE CA C 13 62.503 0.2 . 1 . . . A 26 PHE CA . 19568 1 136 . 1 1 26 26 PHE CB C 13 39.069 0.2 . 1 . . . A 26 PHE CB . 19568 1 137 . 1 1 26 26 PHE N N 15 118.782 0.1 . 1 . . . A 26 PHE N . 19568 1 138 . 1 1 27 27 VAL H H 1 8.530 0.05 . 1 . . . A 27 VAL H . 19568 1 139 . 1 1 27 27 VAL HA H 1 3.462 0.05 . 1 . . . A 27 VAL HA . 19568 1 140 . 1 1 27 27 VAL HB H 1 2.241 0.05 . 1 . . . A 27 VAL HB . 19568 1 141 . 1 1 27 27 VAL C C 13 178.431 0.2 . 1 . . . A 27 VAL C . 19568 1 142 . 1 1 27 27 VAL CA C 13 67.240 0.2 . 1 . . . A 27 VAL CA . 19568 1 143 . 1 1 27 27 VAL CB C 13 31.106 0.2 . 1 . . . A 27 VAL CB . 19568 1 144 . 1 1 27 27 VAL N N 15 118.263 0.1 . 1 . . . A 27 VAL N . 19568 1 145 . 1 1 28 28 PHE H H 1 8.572 0.05 . 1 . . . A 28 PHE H . 19568 1 146 . 1 1 28 28 PHE HA H 1 4.165 0.05 . 1 . . . A 28 PHE HA . 19568 1 147 . 1 1 28 28 PHE C C 13 176.323 0.2 . 1 . . . A 28 PHE C . 19568 1 148 . 1 1 28 28 PHE CA C 13 61.738 0.2 . 1 . . . A 28 PHE CA . 19568 1 149 . 1 1 28 28 PHE CB C 13 39.182 0.2 . 1 . . . A 28 PHE CB . 19568 1 150 . 1 1 28 28 PHE N N 15 122.020 0.1 . 1 . . . A 28 PHE N . 19568 1 151 . 1 1 29 29 LEU H H 1 8.631 0.05 . 1 . . . A 29 LEU H . 19568 1 152 . 1 1 29 29 LEU HA H 1 3.712 0.05 . 1 . . . A 29 LEU HA . 19568 1 153 . 1 1 29 29 LEU C C 13 178.103 0.2 . 1 . . . A 29 LEU C . 19568 1 154 . 1 1 29 29 LEU CA C 13 58.171 0.2 . 1 . . . A 29 LEU CA . 19568 1 155 . 1 1 29 29 LEU CB C 13 41.995 0.2 . 1 . . . A 29 LEU CB . 19568 1 156 . 1 1 29 29 LEU N N 15 118.508 0.1 . 1 . . . A 29 LEU N . 19568 1 157 . 1 1 30 30 PHE H H 1 8.701 0.05 . 1 . . . A 30 PHE H . 19568 1 158 . 1 1 30 30 PHE HA H 1 3.859 0.05 . 1 . . . A 30 PHE HA . 19568 1 159 . 1 1 30 30 PHE CA C 13 61.654 0.2 . 1 . . . A 30 PHE CA . 19568 1 160 . 1 1 30 30 PHE CB C 13 38.855 0.2 . 1 . . . A 30 PHE CB . 19568 1 161 . 1 1 30 30 PHE N N 15 117.713 0.1 . 1 . . . A 30 PHE N . 19568 1 162 . 1 1 31 31 SER H H 1 8.137 0.05 . 1 . . . A 31 SER H . 19568 1 163 . 1 1 31 31 SER HA H 1 3.933 0.05 . 1 . . . A 31 SER HA . 19568 1 164 . 1 1 31 31 SER C C 13 175.646 0.2 . 1 . . . A 31 SER C . 19568 1 165 . 1 1 31 31 SER CA C 13 63.631 0.2 . 1 . . . A 31 SER CA . 19568 1 166 . 1 1 31 31 SER CB C 13 62.767 0.2 . 1 . . . A 31 SER CB . 19568 1 167 . 1 1 31 31 SER N N 15 115.131 0.1 . 1 . . . A 31 SER N . 19568 1 168 . 1 1 32 32 VAL H H 1 7.820 0.05 . 1 . . . A 32 VAL H . 19568 1 169 . 1 1 32 32 VAL HA H 1 3.461 0.05 . 1 . . . A 32 VAL HA . 19568 1 170 . 1 1 32 32 VAL HB H 1 1.966 0.05 . 1 . . . A 32 VAL HB . 19568 1 171 . 1 1 32 32 VAL C C 13 178.552 0.2 . 1 . . . A 32 VAL C . 19568 1 172 . 1 1 32 32 VAL CA C 13 66.397 0.2 . 1 . . . A 32 VAL CA . 19568 1 173 . 1 1 32 32 VAL CB C 13 31.352 0.2 . 1 . . . A 32 VAL CB . 19568 1 174 . 1 1 32 32 VAL N N 15 120.892 0.1 . 1 . . . A 32 VAL N . 19568 1 175 . 1 1 33 33 VAL H H 1 8.061 0.05 . 1 . . . A 33 VAL H . 19568 1 176 . 1 1 33 33 VAL HA H 1 3.403 0.05 . 1 . . . A 33 VAL HA . 19568 1 177 . 1 1 33 33 VAL C C 13 177.129 0.2 . 1 . . . A 33 VAL C . 19568 1 178 . 1 1 33 33 VAL CA C 13 67.702 0.2 . 1 . . . A 33 VAL CA . 19568 1 179 . 1 1 33 33 VAL CB C 13 31.405 0.2 . 1 . . . A 33 VAL CB . 19568 1 180 . 1 1 33 33 VAL N N 15 121.892 0.1 . 1 . . . A 33 VAL N . 19568 1 181 . 1 1 34 34 ILE H H 1 8.285 0.05 . 1 . . . A 34 ILE H . 19568 1 182 . 1 1 34 34 ILE HA H 1 3.566 0.05 . 1 . . . A 34 ILE HA . 19568 1 183 . 1 1 34 34 ILE C C 13 178.041 0.2 . 1 . . . A 34 ILE C . 19568 1 184 . 1 1 34 34 ILE CA C 13 64.340 0.2 . 1 . . . A 34 ILE CA . 19568 1 185 . 1 1 34 34 ILE CB C 13 36.429 0.2 . 1 . . . A 34 ILE CB . 19568 1 186 . 1 1 34 34 ILE N N 15 117.742 0.1 . 1 . . . A 34 ILE N . 19568 1 187 . 1 1 35 35 GLY H H 1 8.676 0.05 . 1 . . . A 35 GLY H . 19568 1 188 . 1 1 35 35 GLY HA3 H 1 3.662 0.05 . 2 . . . A 35 GLY HA3 . 19568 1 189 . 1 1 35 35 GLY C C 13 174.842 0.2 . 1 . . . A 35 GLY C . 19568 1 190 . 1 1 35 35 GLY CA C 13 47.696 0.2 . 1 . . . A 35 GLY CA . 19568 1 191 . 1 1 35 35 GLY N N 15 107.221 0.1 . 1 . . . A 35 GLY N . 19568 1 192 . 1 1 36 36 SER H H 1 8.185 0.05 . 1 . . . A 36 SER H . 19568 1 193 . 1 1 36 36 SER HA H 1 4.080 0.05 . 1 . . . A 36 SER HA . 19568 1 194 . 1 1 36 36 SER C C 13 175.749 0.2 . 1 . . . A 36 SER C . 19568 1 195 . 1 1 36 36 SER CA C 13 63.895 0.2 . 1 . . . A 36 SER CA . 19568 1 196 . 1 1 36 36 SER CB C 13 63.038 0.2 . 1 . . . A 36 SER CB . 19568 1 197 . 1 1 36 36 SER N N 15 117.895 0.1 . 1 . . . A 36 SER N . 19568 1 198 . 1 1 37 37 ILE H H 1 7.971 0.05 . 1 . . . A 37 ILE H . 19568 1 199 . 1 1 37 37 ILE HA H 1 3.650 0.05 . 1 . . . A 37 ILE HA . 19568 1 200 . 1 1 37 37 ILE C C 13 177.436 0.2 . 1 . . . A 37 ILE C . 19568 1 201 . 1 1 37 37 ILE CA C 13 66.079 0.2 . 1 . . . A 37 ILE CA . 19568 1 202 . 1 1 37 37 ILE CB C 13 37.947 0.2 . 1 . . . A 37 ILE CB . 19568 1 203 . 1 1 37 37 ILE N N 15 122.412 0.1 . 1 . . . A 37 ILE N . 19568 1 204 . 1 1 38 38 TYR H H 1 8.450 0.05 . 1 . . . A 38 TYR H . 19568 1 205 . 1 1 38 38 TYR HA H 1 4.167 0.05 . 1 . . . A 38 TYR HA . 19568 1 206 . 1 1 38 38 TYR C C 13 176.818 0.2 . 1 . . . A 38 TYR C . 19568 1 207 . 1 1 38 38 TYR CA C 13 62.452 0.2 . 1 . . . A 38 TYR CA . 19568 1 208 . 1 1 38 38 TYR CB C 13 38.266 0.2 . 1 . . . A 38 TYR CB . 19568 1 209 . 1 1 38 38 TYR N N 15 119.517 0.1 . 1 . . . A 38 TYR N . 19568 1 210 . 1 1 39 39 LEU H H 1 8.369 0.05 . 1 . . . A 39 LEU H . 19568 1 211 . 1 1 39 39 LEU HA H 1 3.697 0.05 . 1 . . . A 39 LEU HA . 19568 1 212 . 1 1 39 39 LEU HB3 H 1 1.410 0.05 . 2 . . . A 39 LEU HB3 . 19568 1 213 . 1 1 39 39 LEU C C 13 178.873 0.2 . 1 . . . A 39 LEU C . 19568 1 214 . 1 1 39 39 LEU CA C 13 57.930 0.2 . 1 . . . A 39 LEU CA . 19568 1 215 . 1 1 39 39 LEU CB C 13 42.161 0.2 . 1 . . . A 39 LEU CB . 19568 1 216 . 1 1 39 39 LEU N N 15 117.459 0.1 . 1 . . . A 39 LEU N . 19568 1 217 . 1 1 40 40 PHE H H 1 8.317 0.05 . 1 . . . A 40 PHE H . 19568 1 218 . 1 1 40 40 PHE C C 13 177.002 0.2 . 1 . . . A 40 PHE C . 19568 1 219 . 1 1 40 40 PHE CA C 13 61.209 0.2 . 1 . . . A 40 PHE CA . 19568 1 220 . 1 1 40 40 PHE CB C 13 35.567 0.2 . 1 . . . A 40 PHE CB . 19568 1 221 . 1 1 40 40 PHE N N 15 118.068 0.1 . 1 . . . A 40 PHE N . 19568 1 222 . 1 1 41 41 LEU H H 1 8.309 0.05 . 1 . . . A 41 LEU H . 19568 1 223 . 1 1 41 41 LEU HA H 1 3.981 0.05 . 1 . . . A 41 LEU HA . 19568 1 224 . 1 1 41 41 LEU HB3 H 1 1.472 0.05 . 2 . . . A 41 LEU HB3 . 19568 1 225 . 1 1 41 41 LEU C C 13 177.917 0.2 . 1 . . . A 41 LEU C . 19568 1 226 . 1 1 41 41 LEU CA C 13 56.741 0.2 . 1 . . . A 41 LEU CA . 19568 1 227 . 1 1 41 41 LEU CB C 13 42.355 0.2 . 1 . . . A 41 LEU CB . 19568 1 228 . 1 1 41 41 LEU N N 15 117.738 0.1 . 1 . . . A 41 LEU N . 19568 1 229 . 1 1 42 42 ARG H H 1 7.957 0.05 . 1 . . . A 42 ARG H . 19568 1 230 . 1 1 42 42 ARG HA H 1 4.011 0.05 . 1 . . . A 42 ARG HA . 19568 1 231 . 1 1 42 42 ARG CA C 13 57.096 0.2 . 1 . . . A 42 ARG CA . 19568 1 232 . 1 1 42 42 ARG CB C 13 29.875 0.2 . 1 . . . A 42 ARG CB . 19568 1 233 . 1 1 42 42 ARG N N 15 118.199 0.1 . 1 . . . A 42 ARG N . 19568 1 234 . 1 1 43 43 LYS H H 1 7.799 0.05 . 1 . . . A 43 LYS H . 19568 1 235 . 1 1 43 43 LYS HA H 1 4.174 0.05 . 1 . . . A 43 LYS HA . 19568 1 236 . 1 1 43 43 LYS C C 13 176.558 0.2 . 1 . . . A 43 LYS C . 19568 1 237 . 1 1 43 43 LYS CA C 13 56.430 0.2 . 1 . . . A 43 LYS CA . 19568 1 238 . 1 1 43 43 LYS CB C 13 32.576 0.2 . 1 . . . A 43 LYS CB . 19568 1 239 . 1 1 43 43 LYS N N 15 119.027 0.1 . 1 . . . A 43 LYS N . 19568 1 240 . 1 1 44 44 ARG H H 1 7.727 0.05 . 1 . . . A 44 ARG H . 19568 1 241 . 1 1 44 44 ARG HA H 1 4.172 0.05 . 1 . . . A 44 ARG HA . 19568 1 242 . 1 1 44 44 ARG C C 13 175.813 0.2 . 1 . . . A 44 ARG C . 19568 1 243 . 1 1 44 44 ARG CA C 13 56.216 0.2 . 1 . . . A 44 ARG CA . 19568 1 244 . 1 1 44 44 ARG CB C 13 30.658 0.2 . 1 . . . A 44 ARG CB . 19568 1 245 . 1 1 44 44 ARG N N 15 120.558 0.1 . 1 . . . A 44 ARG N . 19568 1 246 . 1 1 45 45 GLN H H 1 8.141 0.05 . 1 . . . A 45 GLN H . 19568 1 247 . 1 1 45 45 GLN C C 13 173.795 0.2 . 1 . . . A 45 GLN C . 19568 1 248 . 1 1 45 45 GLN CA C 13 53.615 0.2 . 1 . . . A 45 GLN CA . 19568 1 249 . 1 1 45 45 GLN CB C 13 29.002 0.2 . 1 . . . A 45 GLN CB . 19568 1 250 . 1 1 45 45 GLN N N 15 122.179 0.1 . 1 . . . A 45 GLN N . 19568 1 251 . 1 1 46 46 PRO HA H 1 4.382 0.05 . 1 . . . A 46 PRO HA . 19568 1 252 . 1 1 46 46 PRO HB2 H 1 1.875 0.05 . 2 . . . A 46 PRO HB2 . 19568 1 253 . 1 1 46 46 PRO C C 13 176.477 0.2 . 1 . . . A 46 PRO C . 19568 1 254 . 1 1 46 46 PRO CA C 13 63.247 0.2 . 1 . . . A 46 PRO CA . 19568 1 255 . 1 1 46 46 PRO CB C 13 32.072 0.2 . 1 . . . A 46 PRO CB . 19568 1 256 . 1 1 47 47 ASP H H 1 8.333 0.05 . 1 . . . A 47 ASP H . 19568 1 257 . 1 1 47 47 ASP HA H 1 4.586 0.05 . 1 . . . A 47 ASP HA . 19568 1 258 . 1 1 47 47 ASP C C 13 176.316 0.2 . 1 . . . A 47 ASP C . 19568 1 259 . 1 1 47 47 ASP CA C 13 54.356 0.2 . 1 . . . A 47 ASP CA . 19568 1 260 . 1 1 47 47 ASP CB C 13 41.547 0.2 . 1 . . . A 47 ASP CB . 19568 1 261 . 1 1 47 47 ASP N N 15 120.424 0.1 . 1 . . . A 47 ASP N . 19568 1 262 . 1 1 48 48 GLY H H 1 8.063 0.05 . 1 . . . A 48 GLY H . 19568 1 263 . 1 1 48 48 GLY C C 13 171.778 0.2 . 1 . . . A 48 GLY C . 19568 1 264 . 1 1 48 48 GLY CA C 13 44.630 0.2 . 1 . . . A 48 GLY CA . 19568 1 265 . 1 1 48 48 GLY N N 15 108.892 0.1 . 1 . . . A 48 GLY N . 19568 1 266 . 1 1 49 49 PRO HA H 1 4.371 0.05 . 1 . . . A 49 PRO HA . 19568 1 267 . 1 1 49 49 PRO HB2 H 1 1.855 0.05 . 2 . . . A 49 PRO HB2 . 19568 1 268 . 1 1 49 49 PRO C C 13 177.077 0.2 . 1 . . . A 49 PRO C . 19568 1 269 . 1 1 49 49 PRO CA C 13 63.235 0.2 . 1 . . . A 49 PRO CA . 19568 1 270 . 1 1 49 49 PRO CB C 13 32.148 0.2 . 1 . . . A 49 PRO CB . 19568 1 271 . 1 1 50 50 LEU H H 1 8.263 0.05 . 1 . . . A 50 LEU H . 19568 1 272 . 1 1 50 50 LEU HA H 1 4.245 0.05 . 1 . . . A 50 LEU HA . 19568 1 273 . 1 1 50 50 LEU C C 13 177.320 0.2 . 1 . . . A 50 LEU C . 19568 1 274 . 1 1 50 50 LEU CA C 13 55.264 0.2 . 1 . . . A 50 LEU CA . 19568 1 275 . 1 1 50 50 LEU CB C 13 42.248 0.2 . 1 . . . A 50 LEU CB . 19568 1 276 . 1 1 50 50 LEU N N 15 121.757 0.1 . 1 . . . A 50 LEU N . 19568 1 277 . 1 1 51 51 GLU H H 1 8.166 0.05 . 1 . . . A 51 GLU H . 19568 1 278 . 1 1 51 51 GLU CA C 13 56.531 0.2 . 1 . . . A 51 GLU CA . 19568 1 279 . 1 1 51 51 GLU CB C 13 30.370 0.2 . 1 . . . A 51 GLU CB . 19568 1 280 . 1 1 51 51 GLU N N 15 121.007 0.1 . 1 . . . A 51 GLU N . 19568 1 stop_ save_