################################### # 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 27021 _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 $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' . . . 27021 1 2 '2D 1H-13C HSQC aliphatic' . . . 27021 1 3 '2D 13C(direct)-13C CACO' . . . 27021 1 4 '2D 13C(direct)-15N CON' . . . 27021 1 5 '2D 1H-1H HAHN' . . . 27021 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 ARG H H 1 8.601 0.008 . 1 . . . . . 1 ARG H . 27021 1 2 . 1 . 1 1 1 ARG HA H 1 4.471 0.000 . 1 . . . . . 1 ARG HA . 27021 1 3 . 1 . 1 1 1 ARG C C 13 176.371 0.003 . 1 . . . . . 1 ARG C . 27021 1 4 . 1 . 1 1 1 ARG CA C 13 55.026 0.003 . 1 . . . . . 1 ARG CA . 27021 1 5 . 1 . 1 1 1 ARG N N 15 124.833 0.000 . 1 . . . . . 1 ARG N . 27021 1 6 . 1 . 1 2 2 LEU H H 1 8.399 0.001 . 1 . . . . . 2 LEU H . 27021 1 7 . 1 . 1 2 2 LEU HA H 1 4.628 0.000 . 1 . . . . . 2 LEU HA . 27021 1 8 . 1 . 1 2 2 LEU C C 13 176.422 0.000 . 1 . . . . . 2 LEU C . 27021 1 9 . 1 . 1 2 2 LEU N N 15 122.315 0.004 . 1 . . . . . 2 LEU N . 27021 1 10 . 1 . 1 3 3 ASP H H 1 8.256 0.000 . 1 . . . . . 3 ASP H . 27021 1 11 . 1 . 1 3 3 ASP HA H 1 4.509 0.000 . 1 . . . . . 3 ASP HA . 27021 1 12 . 1 . 1 3 3 ASP C C 13 175.282 0.005 . 1 . . . . . 3 ASP C . 27021 1 13 . 1 . 1 3 3 ASP CA C 13 58.193 0.007 . 1 . . . . . 3 ASP CA . 27021 1 14 . 1 . 1 3 3 ASP N N 15 120.586 0.033 . 1 . . . . . 3 ASP N . 27021 1 15 . 1 . 1 4 4 LYS H H 1 8.115 0.000 . 1 . . . . . 4 LYS H . 27021 1 16 . 1 . 1 4 4 LYS N N 15 120.477 0.020 . 1 . . . . . 4 LYS N . 27021 1 17 . 1 . 1 5 5 GLN HA H 1 4.328 0.000 . 1 . . . . . 5 GLN HA . 27021 1 18 . 1 . 1 5 5 GLN C C 13 176.220 0.001 . 1 . . . . . 5 GLN C . 27021 1 19 . 1 . 1 5 5 GLN CA C 13 56.015 0.009 . 1 . . . . . 5 GLN CA . 27021 1 20 . 1 . 1 6 6 GLY H H 1 8.209 0.002 . 1 . . . . . 6 GLY H . 27021 1 21 . 1 . 1 6 6 GLY HA2 H 1 3.879 0.002 . 1 . . . . . 6 GLY HA2 . 27021 1 22 . 1 . 1 6 6 GLY C C 13 173.431 0.003 . 1 . . . . . 6 GLY C . 27021 1 23 . 1 . 1 6 6 GLY CA C 13 45.332 0.001 . 1 . . . . . 6 GLY CA . 27021 1 24 . 1 . 1 6 6 GLY N N 15 109.548 0.007 . 1 . . . . . 6 GLY N . 27021 1 25 . 1 . 1 7 7 ASN H H 1 8.144 0.000 . 1 . . . . . 7 ASN H . 27021 1 26 . 1 . 1 7 7 ASN HA H 1 4.622 0.000 . 1 . . . . . 7 ASN HA . 27021 1 27 . 1 . 1 7 7 ASN C C 13 176.032 0.007 . 1 . . . . . 7 ASN C . 27021 1 28 . 1 . 1 7 7 ASN CA C 13 53.969 0.000 . 1 . . . . . 7 ASN CA . 27021 1 29 . 1 . 1 7 7 ASN N N 15 118.588 0.008 . 1 . . . . . 7 ASN N . 27021 1 30 . 1 . 1 8 8 PHE H H 1 8.154 0.005 . 1 . . . . . 8 PHE H . 27021 1 31 . 1 . 1 8 8 PHE HA H 1 4.625 0.003 . 1 . . . . . 8 PHE HA . 27021 1 32 . 1 . 1 8 8 PHE C C 13 174.843 0.020 . 1 . . . . . 8 PHE C . 27021 1 33 . 1 . 1 8 8 PHE CA C 13 57.800 0.006 . 1 . . . . . 8 PHE CA . 27021 1 34 . 1 . 1 8 8 PHE N N 15 120.965 0.001 . 1 . . . . . 8 PHE N . 27021 1 35 . 1 . 1 9 9 ASN H H 1 8.140 0.006 . 1 . . . . . 9 ASN H . 27021 1 36 . 1 . 1 9 9 ASN HA H 1 4.697 0.006 . 1 . . . . . 9 ASN HA . 27021 1 37 . 1 . 1 9 9 ASN C C 13 174.843 0.003 . 1 . . . . . 9 ASN C . 27021 1 38 . 1 . 1 9 9 ASN CA C 13 52.946 0.005 . 1 . . . . . 9 ASN CA . 27021 1 39 . 1 . 1 9 9 ASN N N 15 120.961 0.002 . 1 . . . . . 9 ASN N . 27021 1 40 . 1 . 1 10 10 ALA H H 1 7.897 0.004 . 1 . . . . . 10 ALA H . 27021 1 41 . 1 . 1 10 10 ALA HA H 1 4.204 0.002 . 1 . . . . . 10 ALA HA . 27021 1 42 . 1 . 1 10 10 ALA C C 13 177.055 0.007 . 1 . . . . . 10 ALA C . 27021 1 43 . 1 . 1 10 10 ALA CA C 13 52.696 0.005 . 1 . . . . . 10 ALA CA . 27021 1 44 . 1 . 1 10 10 ALA N N 15 124.412 0.018 . 1 . . . . . 10 ALA N . 27021 1 45 . 1 . 1 11 11 TRP H H 1 7.893 0.002 . 1 . . . . . 11 TRP H . 27021 1 46 . 1 . 1 11 11 TRP HA H 1 4.571 0.001 . 1 . . . . . 11 TRP HA . 27021 1 47 . 1 . 1 11 11 TRP C C 13 176.069 0.000 . 1 . . . . . 11 TRP C . 27021 1 48 . 1 . 1 11 11 TRP CA C 13 57.763 0.012 . 1 . . . . . 11 TRP CA . 27021 1 49 . 1 . 1 11 11 TRP N N 15 120.213 0.001 . 1 . . . . . 11 TRP N . 27021 1 50 . 1 . 1 12 12 VAL H H 1 7.634 0.003 . 1 . . . . . 12 VAL H . 27021 1 51 . 1 . 1 12 12 VAL HA H 1 3.920 0.004 . 1 . . . . . 12 VAL HA . 27021 1 52 . 1 . 1 12 12 VAL C C 13 175.235 0.013 . 1 . . . . . 12 VAL C . 27021 1 53 . 1 . 1 12 12 VAL CA C 13 61.949 0.007 . 1 . . . . . 12 VAL CA . 27021 1 54 . 1 . 1 12 12 VAL N N 15 122.642 0.014 . 1 . . . . . 12 VAL N . 27021 1 55 . 1 . 1 13 13 ALA H H 1 8.036 0.001 . 1 . . . . . 13 ALA H . 27021 1 56 . 1 . 1 13 13 ALA HA H 1 4.055 0.003 . 1 . . . . . 13 ALA HA . 27021 1 57 . 1 . 1 13 13 ALA C C 13 178.106 0.007 . 1 . . . . . 13 ALA C . 27021 1 58 . 1 . 1 13 13 ALA CA C 13 53.000 0.013 . 1 . . . . . 13 ALA CA . 27021 1 59 . 1 . 1 13 13 ALA N N 15 127.157 0.026 . 1 . . . . . 13 ALA N . 27021 1 60 . 1 . 1 14 14 GLY H H 1 8.099 0.000 . 1 . . . . . 14 GLY H . 27021 1 61 . 1 . 1 14 14 GLY C C 13 173.942 0.002 . 1 . . . . . 14 GLY C . 27021 1 62 . 1 . 1 14 14 GLY CA C 13 45.226 0.000 . 1 . . . . . 14 GLY CA . 27021 1 63 . 1 . 1 14 14 GLY N N 15 108.113 0.022 . 1 . . . . . 14 GLY N . 27021 1 64 . 1 . 1 15 15 SER H H 1 7.825 0.000 . 1 . . . . . 15 SER H . 27021 1 65 . 1 . 1 15 15 SER HA H 1 4.503 0.000 . 1 . . . . . 15 SER HA . 27021 1 66 . 1 . 1 15 15 SER C C 13 173.917 0.005 . 1 . . . . . 15 SER C . 27021 1 67 . 1 . 1 15 15 SER CA C 13 58.245 0.018 . 1 . . . . . 15 SER CA . 27021 1 68 . 1 . 1 15 15 SER N N 15 115.163 0.008 . 1 . . . . . 15 SER N . 27021 1 69 . 1 . 1 16 16 TYR H H 1 8.089 0.002 . 1 . . . . . 16 TYR H . 27021 1 70 . 1 . 1 16 16 TYR HA H 1 4.521 0.001 . 1 . . . . . 16 TYR HA . 27021 1 71 . 1 . 1 16 16 TYR C C 13 176.085 0.004 . 1 . . . . . 16 TYR C . 27021 1 72 . 1 . 1 16 16 TYR CA C 13 58.032 0.010 . 1 . . . . . 16 TYR CA . 27021 1 73 . 1 . 1 16 16 TYR N N 15 121.690 0.020 . 1 . . . . . 16 TYR N . 27021 1 74 . 1 . 1 17 17 GLY H H 1 8.094 0.000 . 1 . . . . . 17 GLY H . 27021 1 75 . 1 . 1 17 17 GLY C C 13 173.741 0.000 . 1 . . . . . 17 GLY C . 27021 1 76 . 1 . 1 17 17 GLY CA C 13 45.307 0.000 . 1 . . . . . 17 GLY CA . 27021 1 77 . 1 . 1 17 17 GLY N N 15 110.240 0.031 . 1 . . . . . 17 GLY N . 27021 1 78 . 1 . 1 18 18 ASN H H 1 8.078 0.001 . 1 . . . . . 18 ASN H . 27021 1 79 . 1 . 1 18 18 ASN HA H 1 4.692 0.001 . 1 . . . . . 18 ASN HA . 27021 1 80 . 1 . 1 18 18 ASN C C 13 174.986 0.015 . 1 . . . . . 18 ASN C . 27021 1 81 . 1 . 1 18 18 ASN CA C 13 53.357 0.006 . 1 . . . . . 18 ASN CA . 27021 1 82 . 1 . 1 18 18 ASN N N 15 118.502 0.021 . 1 . . . . . 18 ASN N . 27021 1 83 . 1 . 1 19 19 ASP H H 1 8.224 0.004 . 1 . . . . . 19 ASP H . 27021 1 84 . 1 . 1 19 19 ASP HA H 1 4.509 0.003 . 1 . . . . . 19 ASP HA . 27021 1 85 . 1 . 1 19 19 ASP C C 13 176.311 0.000 . 1 . . . . . 19 ASP C . 27021 1 86 . 1 . 1 19 19 ASP CA C 13 54.762 0.002 . 1 . . . . . 19 ASP CA . 27021 1 87 . 1 . 1 19 19 ASP N N 15 119.957 0.020 . 1 . . . . . 19 ASP N . 27021 1 88 . 1 . 1 20 20 GLN H H 1 8.032 0.001 . 1 . . . . . 20 GLN H . 27021 1 89 . 1 . 1 20 20 GLN HA H 1 4.169 0.004 . 1 . . . . . 20 GLN HA . 27021 1 90 . 1 . 1 20 20 GLN C C 13 175.701 0.000 . 1 . . . . . 20 GLN C . 27021 1 91 . 1 . 1 20 20 GLN CA C 13 56.478 0.002 . 1 . . . . . 20 GLN CA . 27021 1 92 . 1 . 1 20 20 GLN N N 15 119.532 0.008 . 1 . . . . . 20 GLN N . 27021 1 93 . 1 . 1 21 21 TRP H H 1 7.855 0.003 . 1 . . . . . 21 TRP H . 27021 1 94 . 1 . 1 21 21 TRP HA H 1 4.655 0.003 . 1 . . . . . 21 TRP HA . 27021 1 95 . 1 . 1 21 21 TRP C C 13 175.784 0.008 . 1 . . . . . 21 TRP C . 27021 1 96 . 1 . 1 21 21 TRP CA C 13 57.231 0.007 . 1 . . . . . 21 TRP CA . 27021 1 97 . 1 . 1 21 21 TRP N N 15 120.747 0.017 . 1 . . . . . 21 TRP N . 27021 1 98 . 1 . 1 22 22 LEU H H 1 7.678 0.000 . 1 . . . . . 22 LEU H . 27021 1 99 . 1 . 1 22 22 LEU HA H 1 4.233 0.000 . 1 . . . . . 22 LEU HA . 27021 1 100 . 1 . 1 22 22 LEU C C 13 176.579 0.007 . 1 . . . . . 22 LEU C . 27021 1 101 . 1 . 1 22 22 LEU CA C 13 55.075 0.006 . 1 . . . . . 22 LEU CA . 27021 1 102 . 1 . 1 22 22 LEU N N 15 122.889 0.004 . 1 . . . . . 22 LEU N . 27021 1 103 . 1 . 1 23 23 GLN H H 1 8.003 0.000 . 1 . . . . . 23 GLN H . 27021 1 104 . 1 . 1 23 23 GLN HA H 1 4.262 0.003 . 1 . . . . . 23 GLN HA . 27021 1 105 . 1 . 1 23 23 GLN C C 13 175.649 0.002 . 1 . . . . . 23 GLN C . 27021 1 106 . 1 . 1 23 23 GLN CA C 13 55.721 0.004 . 1 . . . . . 23 GLN CA . 27021 1 107 . 1 . 1 23 23 GLN N N 15 121.137 0.012 . 1 . . . . . 23 GLN N . 27021 1 108 . 1 . 1 24 24 VAL H H 1 7.910 0.003 . 1 . . . . . 24 VAL H . 27021 1 109 . 1 . 1 24 24 VAL HA H 1 4.077 0.004 . 1 . . . . . 24 VAL HA . 27021 1 110 . 1 . 1 24 24 VAL C C 13 175.333 0.005 . 1 . . . . . 24 VAL C . 27021 1 111 . 1 . 1 24 24 VAL CA C 13 62.240 0.001 . 1 . . . . . 24 VAL CA . 27021 1 112 . 1 . 1 24 24 VAL N N 15 121.290 0.022 . 1 . . . . . 24 VAL N . 27021 1 113 . 1 . 1 25 25 ASP H H 1 8.288 0.005 . 1 . . . . . 25 ASP H . 27021 1 114 . 1 . 1 25 25 ASP HA H 1 4.644 0.002 . 1 . . . . . 25 ASP HA . 27021 1 115 . 1 . 1 25 25 ASP C C 13 176.267 0.002 . 1 . . . . . 25 ASP C . 27021 1 116 . 1 . 1 25 25 ASP CA C 13 53.989 0.001 . 1 . . . . . 25 ASP CA . 27021 1 117 . 1 . 1 25 25 ASP N N 15 123.780 0.029 . 1 . . . . . 25 ASP N . 27021 1 118 . 1 . 1 26 26 LEU H H 1 8.272 0.002 . 1 . . . . . 26 LEU H . 27021 1 119 . 1 . 1 26 26 LEU HA H 1 4.305 0.000 . 1 . . . . . 26 LEU HA . 27021 1 120 . 1 . 1 26 26 LEU C C 13 178.179 0.004 . 1 . . . . . 26 LEU C . 27021 1 121 . 1 . 1 26 26 LEU CA C 13 55.585 0.004 . 1 . . . . . 26 LEU CA . 27021 1 122 . 1 . 1 26 26 LEU N N 15 124.169 0.009 . 1 . . . . . 26 LEU N . 27021 1 123 . 1 . 1 27 27 GLY H H 1 8.364 0.001 . 1 . . . . . 27 GLY H . 27021 1 124 . 1 . 1 27 27 GLY HA2 H 1 3.974 0.001 . 1 . . . . . 27 GLY HA2 . 27021 1 125 . 1 . 1 27 27 GLY C C 13 174.320 0.002 . 1 . . . . . 27 GLY C . 27021 1 126 . 1 . 1 27 27 GLY CA C 13 45.592 0.006 . 1 . . . . . 27 GLY CA . 27021 1 127 . 1 . 1 27 27 GLY N N 15 108.932 0.023 . 1 . . . . . 27 GLY N . 27021 1 128 . 1 . 1 28 28 SER H H 1 7.982 0.000 . 1 . . . . . 28 SER H . 27021 1 129 . 1 . 1 28 28 SER HA H 1 4.502 0.000 . 1 . . . . . 28 SER HA . 27021 1 130 . 1 . 1 28 28 SER C C 13 174.613 0.007 . 1 . . . . . 28 SER C . 27021 1 131 . 1 . 1 28 28 SER CA C 13 58.359 0.002 . 1 . . . . . 28 SER CA . 27021 1 132 . 1 . 1 28 28 SER N N 15 115.359 0.018 . 1 . . . . . 28 SER N . 27021 1 133 . 1 . 1 29 29 SER H H 1 8.226 0.000 . 1 . . . . . 29 SER H . 27021 1 134 . 1 . 1 29 29 SER HA H 1 4.473 0.000 . 1 . . . . . 29 SER HA . 27021 1 135 . 1 . 1 29 29 SER C C 13 174.486 0.006 . 1 . . . . . 29 SER C . 27021 1 136 . 1 . 1 29 29 SER CA C 13 58.552 0.002 . 1 . . . . . 29 SER CA . 27021 1 137 . 1 . 1 29 29 SER N N 15 117.666 0.001 . 1 . . . . . 29 SER N . 27021 1 138 . 1 . 1 30 30 LYS H H 1 8.209 0.000 . 1 . . . . . 30 LYS H . 27021 1 139 . 1 . 1 30 30 LYS HA H 1 4.297 0.000 . 1 . . . . . 30 LYS HA . 27021 1 140 . 1 . 1 30 30 LYS C C 13 176.373 0.014 . 1 . . . . . 30 LYS C . 27021 1 141 . 1 . 1 30 30 LYS CA C 13 56.631 0.006 . 1 . . . . . 30 LYS CA . 27021 1 142 . 1 . 1 30 30 LYS N N 15 122.978 0.003 . 1 . . . . . 30 LYS N . 27021 1 143 . 1 . 1 31 31 GLU H H 1 8.209 0.001 . 1 . . . . . 31 GLU H . 27021 1 144 . 1 . 1 31 31 GLU HA H 1 4.332 0.001 . 1 . . . . . 31 GLU HA . 27021 1 145 . 1 . 1 31 31 GLU C C 13 176.359 0.001 . 1 . . . . . 31 GLU C . 27021 1 146 . 1 . 1 31 31 GLU CA C 13 56.397 0.003 . 1 . . . . . 31 GLU CA . 27021 1 147 . 1 . 1 31 31 GLU N N 15 121.603 0.000 . 1 . . . . . 31 GLU N . 27021 1 148 . 1 . 1 32 32 VAL H H 1 8.145 0.006 . 1 . . . . . 32 VAL H . 27021 1 149 . 1 . 1 32 32 VAL HA H 1 4.195 0.004 . 1 . . . . . 32 VAL HA . 27021 1 150 . 1 . 1 32 32 VAL C C 13 176.266 0.002 . 1 . . . . . 32 VAL C . 27021 1 151 . 1 . 1 32 32 VAL CA C 13 62.450 0.001 . 1 . . . . . 32 VAL CA . 27021 1 152 . 1 . 1 32 32 VAL N N 15 121.610 0.060 . 1 . . . . . 32 VAL N . 27021 1 153 . 1 . 1 33 33 THR H H 1 8.091 0.000 . 1 . . . . . 33 THR H . 27021 1 154 . 1 . 1 33 33 THR HA H 1 4.363 0.000 . 1 . . . . . 33 THR HA . 27021 1 155 . 1 . 1 33 33 THR C C 13 174.855 0.007 . 1 . . . . . 33 THR C . 27021 1 156 . 1 . 1 33 33 THR CA C 13 62.069 0.005 . 1 . . . . . 33 THR CA . 27021 1 157 . 1 . 1 33 33 THR N N 15 117.488 0.003 . 1 . . . . . 33 THR N . 27021 1 158 . 1 . 1 34 34 GLY H H 1 8.238 0.000 . 1 . . . . . 34 GLY H . 27021 1 159 . 1 . 1 34 34 GLY HA2 H 1 3.940 0.000 . 1 . . . . . 34 GLY HA2 . 27021 1 160 . 1 . 1 34 34 GLY C C 13 173.591 0.001 . 1 . . . . . 34 GLY C . 27021 1 161 . 1 . 1 34 34 GLY CA C 13 45.187 0.006 . 1 . . . . . 34 GLY CA . 27021 1 162 . 1 . 1 34 34 GLY N N 15 110.928 0.011 . 1 . . . . . 34 GLY N . 27021 1 163 . 1 . 1 35 35 ILE H H 1 7.839 0.000 . 1 . . . . . 35 ILE H . 27021 1 164 . 1 . 1 35 35 ILE HA H 1 4.165 0.003 . 1 . . . . . 35 ILE HA . 27021 1 165 . 1 . 1 35 35 ILE C C 13 176.248 0.005 . 1 . . . . . 35 ILE C . 27021 1 166 . 1 . 1 35 35 ILE CA C 13 61.175 0.001 . 1 . . . . . 35 ILE CA . 27021 1 167 . 1 . 1 35 35 ILE N N 15 120.211 0.005 . 1 . . . . . 35 ILE N . 27021 1 168 . 1 . 1 36 36 ILE H H 1 8.218 0.003 . 1 . . . . . 36 ILE H . 27021 1 169 . 1 . 1 36 36 ILE HA H 1 4.253 0.001 . 1 . . . . . 36 ILE HA . 27021 1 170 . 1 . 1 36 36 ILE C C 13 176.317 0.013 . 1 . . . . . 36 ILE C . 27021 1 171 . 1 . 1 36 36 ILE CA C 13 61.003 0.001 . 1 . . . . . 36 ILE CA . 27021 1 172 . 1 . 1 36 36 ILE N N 15 125.886 0.008 . 1 . . . . . 36 ILE N . 27021 1 173 . 1 . 1 37 37 THR H H 1 8.131 0.000 . 1 . . . . . 37 THR H . 27021 1 174 . 1 . 1 37 37 THR HA H 1 4.346 0.000 . 1 . . . . . 37 THR HA . 27021 1 175 . 1 . 1 37 37 THR C C 13 174.262 0.012 . 1 . . . . . 37 THR C . 27021 1 176 . 1 . 1 37 37 THR CA C 13 61.794 0.003 . 1 . . . . . 37 THR CA . 27021 1 177 . 1 . 1 37 37 THR N N 15 119.225 0.014 . 1 . . . . . 37 THR N . 27021 1 178 . 1 . 1 38 38 GLN H H 1 8.316 0.001 . 1 . . . . . 38 GLN H . 27021 1 179 . 1 . 1 38 38 GLN HA H 1 4.312 0.004 . 1 . . . . . 38 GLN HA . 27021 1 180 . 1 . 1 38 38 GLN C C 13 176.225 0.004 . 1 . . . . . 38 GLN C . 27021 1 181 . 1 . 1 38 38 GLN CA C 13 56.184 0.003 . 1 . . . . . 38 GLN CA . 27021 1 182 . 1 . 1 38 38 GLN N N 15 122.951 0.027 . 1 . . . . . 38 GLN N . 27021 1 183 . 1 . 1 39 39 GLY H H 1 8.311 0.000 . 1 . . . . . 39 GLY H . 27021 1 184 . 1 . 1 39 39 GLY HA2 H 1 3.941 0.001 . 1 . . . . . 39 GLY HA2 . 27021 1 185 . 1 . 1 39 39 GLY C C 13 173.584 0.006 . 1 . . . . . 39 GLY C . 27021 1 186 . 1 . 1 39 39 GLY CA C 13 45.214 0.002 . 1 . . . . . 39 GLY CA . 27021 1 187 . 1 . 1 39 39 GLY N N 15 110.240 0.032 . 1 . . . . . 39 GLY N . 27021 1 188 . 1 . 1 40 40 ALA H H 1 8.018 0.000 . 1 . . . . . 40 ALA H . 27021 1 189 . 1 . 1 40 40 ALA HA H 1 4.291 0.002 . 1 . . . . . 40 ALA HA . 27021 1 190 . 1 . 1 40 40 ALA C C 13 177.692 0.005 . 1 . . . . . 40 ALA C . 27021 1 191 . 1 . 1 40 40 ALA CA C 13 52.539 0.005 . 1 . . . . . 40 ALA CA . 27021 1 192 . 1 . 1 40 40 ALA N N 15 123.558 0.007 . 1 . . . . . 40 ALA N . 27021 1 193 . 1 . 1 41 41 ARG H H 1 8.184 0.001 . 1 . . . . . 41 ARG H . 27021 1 194 . 1 . 1 41 41 ARG HA H 1 4.242 0.002 . 1 . . . . . 41 ARG HA . 27021 1 195 . 1 . 1 41 41 ARG C C 13 175.588 0.015 . 1 . . . . . 41 ARG C . 27021 1 196 . 1 . 1 41 41 ARG CA C 13 55.980 0.003 . 1 . . . . . 41 ARG CA . 27021 1 197 . 1 . 1 41 41 ARG N N 15 119.933 0.018 . 1 . . . . . 41 ARG N . 27021 1 198 . 1 . 1 42 42 ASN H H 1 8.197 0.001 . 1 . . . . . 42 ASN H . 27021 1 199 . 1 . 1 42 42 ASN HA H 1 4.682 0.001 . 1 . . . . . 42 ASN HA . 27021 1 200 . 1 . 1 42 42 ASN C C 13 174.780 0.000 . 1 . . . . . 42 ASN C . 27021 1 201 . 1 . 1 42 42 ASN CA C 13 52.935 0.003 . 1 . . . . . 42 ASN CA . 27021 1 202 . 1 . 1 42 42 ASN N N 15 119.347 0.008 . 1 . . . . . 42 ASN N . 27021 1 203 . 1 . 1 43 43 PHE H H 1 8.161 0.006 . 1 . . . . . 43 PHE H . 27021 1 204 . 1 . 1 43 43 PHE HA H 1 4.572 0.006 . 1 . . . . . 43 PHE HA . 27021 1 205 . 1 . 1 43 43 PHE C C 13 176.083 0.000 . 1 . . . . . 43 PHE C . 27021 1 206 . 1 . 1 43 43 PHE CA C 13 58.247 0.018 . 1 . . . . . 43 PHE CA . 27021 1 207 . 1 . 1 43 43 PHE N N 15 121.160 0.032 . 1 . . . . . 43 PHE N . 27021 1 208 . 1 . 1 44 44 GLY H H 1 8.220 0.002 . 1 . . . . . 44 GLY H . 27021 1 209 . 1 . 1 44 44 GLY HA2 H 1 3.962 0.002 . 1 . . . . . 44 GLY HA2 . 27021 1 210 . 1 . 1 44 44 GLY C C 13 173.831 0.000 . 1 . . . . . 44 GLY C . 27021 1 211 . 1 . 1 44 44 GLY CA C 13 45.291 0.008 . 1 . . . . . 44 GLY CA . 27021 1 212 . 1 . 1 44 44 GLY N N 15 110.362 0.019 . 1 . . . . . 44 GLY N . 27021 1 213 . 1 . 1 45 45 SER H H 1 7.989 0.000 . 1 . . . . . 45 SER H . 27021 1 214 . 1 . 1 45 45 SER HA H 1 4.383 0.000 . 1 . . . . . 45 SER HA . 27021 1 215 . 1 . 1 45 45 SER C C 13 174.384 0.010 . 1 . . . . . 45 SER C . 27021 1 216 . 1 . 1 45 45 SER CA C 13 58.243 0.012 . 1 . . . . . 45 SER CA . 27021 1 217 . 1 . 1 45 45 SER N N 15 115.527 0.004 . 1 . . . . . 45 SER N . 27021 1 218 . 1 . 1 46 46 VAL H H 1 8.038 0.004 . 1 . . . . . 46 VAL H . 27021 1 219 . 1 . 1 46 46 VAL HA H 1 4.126 0.005 . 1 . . . . . 46 VAL HA . 27021 1 220 . 1 . 1 46 46 VAL C C 13 175.690 0.015 . 1 . . . . . 46 VAL C . 27021 1 221 . 1 . 1 46 46 VAL CA C 13 62.321 0.004 . 1 . . . . . 46 VAL CA . 27021 1 222 . 1 . 1 46 46 VAL N N 15 121.666 0.018 . 1 . . . . . 46 VAL N . 27021 1 223 . 1 . 1 47 47 GLN H H 1 8.242 0.005 . 1 . . . . . 47 GLN H . 27021 1 224 . 1 . 1 47 47 GLN HA H 1 4.299 0.000 . 1 . . . . . 47 GLN HA . 27021 1 225 . 1 . 1 47 47 GLN C C 13 175.064 0.006 . 1 . . . . . 47 GLN C . 27021 1 226 . 1 . 1 47 47 GLN CA C 13 55.574 0.005 . 1 . . . . . 47 GLN CA . 27021 1 227 . 1 . 1 47 47 GLN N N 15 123.954 0.030 . 1 . . . . . 47 GLN N . 27021 1 228 . 1 . 1 48 48 PHE H H 1 8.168 0.000 . 1 . . . . . 48 PHE H . 27021 1 229 . 1 . 1 48 48 PHE HA H 1 4.558 0.000 . 1 . . . . . 48 PHE HA . 27021 1 230 . 1 . 1 48 48 PHE C C 13 174.468 0.008 . 1 . . . . . 48 PHE C . 27021 1 231 . 1 . 1 48 48 PHE CA C 13 53.186 0.002 . 1 . . . . . 48 PHE CA . 27021 1 232 . 1 . 1 48 48 PHE N N 15 122.474 0.023 . 1 . . . . . 48 PHE N . 27021 1 233 . 1 . 1 49 49 VAL H H 1 7.922 0.000 . 1 . . . . . 49 VAL H . 27021 1 234 . 1 . 1 49 49 VAL HA H 1 4.017 0.000 . 1 . . . . . 49 VAL HA . 27021 1 235 . 1 . 1 49 49 VAL C C 13 174.142 0.000 . 1 . . . . . 49 VAL C . 27021 1 236 . 1 . 1 49 49 VAL CA C 13 62.094 0.001 . 1 . . . . . 49 VAL CA . 27021 1 237 . 1 . 1 49 49 VAL N N 15 123.913 0.007 . 1 . . . . . 49 VAL N . 27021 1 238 . 1 . 1 50 50 ALA H H 1 7.941 0.000 . 1 . . . . . 50 ALA H . 27021 1 stop_ save_