################################### # 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 26931 _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' . . . 26931 1 2 '3D HNCO' . . . 26931 1 3 '3D HNCA' . . . 26931 1 4 '3D HNCACB' . . . 26931 1 5 '3D CBCA(CO)NH' . . . 26931 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 SER C C 13 174.412 0.000 . 1 . . . . . 2 SER C . 26931 1 2 . 1 . 1 2 2 SER CA C 13 58.194 0.071 . 1 . . . . . 2 SER CA . 26931 1 3 . 1 . 1 2 2 SER CB C 13 64.109 0.000 . 1 . . . . . 2 SER CB . 26931 1 4 . 1 . 1 3 3 LEU H H 1 8.461 0.003 . 1 . . . . . 3 LEU H . 26931 1 5 . 1 . 1 3 3 LEU C C 13 177.171 0.000 . 1 . . . . . 3 LEU C . 26931 1 6 . 1 . 1 3 3 LEU CA C 13 55.295 0.062 . 1 . . . . . 3 LEU CA . 26931 1 7 . 1 . 1 3 3 LEU CB C 13 42.215 0.000 . 1 . . . . . 3 LEU CB . 26931 1 8 . 1 . 1 3 3 LEU N N 15 124.576 0.005 . 1 . . . . . 3 LEU N . 26931 1 9 . 1 . 1 4 4 ARG H H 1 8.393 0.003 . 1 . . . . . 4 ARG H . 26931 1 10 . 1 . 1 4 4 ARG C C 13 176.103 0.000 . 1 . . . . . 4 ARG C . 26931 1 11 . 1 . 1 4 4 ARG CA C 13 56.069 0.013 . 1 . . . . . 4 ARG CA . 26931 1 12 . 1 . 1 4 4 ARG CB C 13 30.626 0.046 . 1 . . . . . 4 ARG CB . 26931 1 13 . 1 . 1 4 4 ARG N N 15 122.455 0.020 . 1 . . . . . 4 ARG N . 26931 1 14 . 1 . 1 5 5 VAL H H 1 8.073 0.006 . 1 . . . . . 5 VAL H . 26931 1 15 . 1 . 1 5 5 VAL C C 13 175.758 0.000 . 1 . . . . . 5 VAL C . 26931 1 16 . 1 . 1 5 5 VAL CA C 13 61.965 0.074 . 1 . . . . . 5 VAL CA . 26931 1 17 . 1 . 1 5 5 VAL CB C 13 32.600 0.063 . 1 . . . . . 5 VAL CB . 26931 1 18 . 1 . 1 5 5 VAL N N 15 121.233 0.023 . 1 . . . . . 5 VAL N . 26931 1 19 . 1 . 1 6 6 LYS H H 1 8.389 0.003 . 1 . . . . . 6 LYS H . 26931 1 20 . 1 . 1 6 6 LYS C C 13 176.719 0.000 . 1 . . . . . 6 LYS C . 26931 1 21 . 1 . 1 6 6 LYS CA C 13 56.475 0.014 . 1 . . . . . 6 LYS CA . 26931 1 22 . 1 . 1 6 6 LYS CB C 13 32.935 0.009 . 1 . . . . . 6 LYS CB . 26931 1 23 . 1 . 1 6 6 LYS N N 15 125.920 0.026 . 1 . . . . . 6 LYS N . 26931 1 24 . 1 . 1 7 7 GLY H H 1 8.169 0.004 . 1 . . . . . 7 GLY H . 26931 1 25 . 1 . 1 7 7 GLY C C 13 172.855 0.000 . 1 . . . . . 7 GLY C . 26931 1 26 . 1 . 1 7 7 GLY CA C 13 44.694 0.041 . 1 . . . . . 7 GLY CA . 26931 1 27 . 1 . 1 7 7 GLY N N 15 109.373 0.028 . 1 . . . . . 7 GLY N . 26931 1 28 . 1 . 1 8 8 LEU CA C 13 52.080 0.023 . 1 . . . . . 8 LEU CA . 26931 1 29 . 1 . 1 8 8 LEU CB C 13 43.146 0.000 . 1 . . . . . 8 LEU CB . 26931 1 30 . 1 . 1 8 8 LEU N N 15 121.691 0.010 . 1 . . . . . 8 LEU N . 26931 1 31 . 1 . 1 9 9 PRO C C 13 176.201 0.000 . 1 . . . . . 9 PRO C . 26931 1 32 . 1 . 1 9 9 PRO CA C 13 62.114 0.049 . 1 . . . . . 9 PRO CA . 26931 1 33 . 1 . 1 9 9 PRO CB C 13 31.152 0.043 . 1 . . . . . 9 PRO CB . 26931 1 34 . 1 . 1 10 10 SER H H 1 8.473 0.002 . 1 . . . . . 10 SER H . 26931 1 35 . 1 . 1 10 10 SER C C 13 176.017 0.000 . 1 . . . . . 10 SER C . 26931 1 36 . 1 . 1 10 10 SER CA C 13 60.212 0.036 . 1 . . . . . 10 SER CA . 26931 1 37 . 1 . 1 10 10 SER CB C 13 63.223 0.053 . 1 . . . . . 10 SER CB . 26931 1 38 . 1 . 1 10 10 SER N N 15 116.049 0.015 . 1 . . . . . 10 SER N . 26931 1 39 . 1 . 1 11 11 GLY H H 1 8.918 0.005 . 1 . . . . . 11 GLY H . 26931 1 40 . 1 . 1 11 11 GLY C C 13 174.699 0.000 . 1 . . . . . 11 GLY C . 26931 1 41 . 1 . 1 11 11 GLY CA C 13 45.448 0.017 . 1 . . . . . 11 GLY CA . 26931 1 42 . 1 . 1 11 11 GLY N N 15 113.239 0.007 . 1 . . . . . 11 GLY N . 26931 1 43 . 1 . 1 12 12 TRP H H 1 7.842 0.003 . 1 . . . . . 12 TRP H . 26931 1 44 . 1 . 1 12 12 TRP HE1 H 1 10.737 0.004 . 1 . . . . . 12 TRP HE1 . 26931 1 45 . 1 . 1 12 12 TRP C C 13 176.054 0.000 . 1 . . . . . 12 TRP C . 26931 1 46 . 1 . 1 12 12 TRP CA C 13 58.351 0.041 . 1 . . . . . 12 TRP CA . 26931 1 47 . 1 . 1 12 12 TRP CB C 13 29.290 0.077 . 1 . . . . . 12 TRP CB . 26931 1 48 . 1 . 1 12 12 TRP N N 15 121.364 0.047 . 1 . . . . . 12 TRP N . 26931 1 49 . 1 . 1 12 12 TRP NE1 N 15 131.008 0.022 . 1 . . . . . 12 TRP NE1 . 26931 1 50 . 1 . 1 13 13 LYS H H 1 8.962 0.004 . 1 . . . . . 13 LYS H . 26931 1 51 . 1 . 1 13 13 LYS C C 13 174.612 0.000 . 1 . . . . . 13 LYS C . 26931 1 52 . 1 . 1 13 13 LYS CA C 13 55.375 0.090 . 1 . . . . . 13 LYS CA . 26931 1 53 . 1 . 1 13 13 LYS CB C 13 36.287 0.049 . 1 . . . . . 13 LYS CB . 26931 1 54 . 1 . 1 13 13 LYS N N 15 121.051 0.035 . 1 . . . . . 13 LYS N . 26931 1 55 . 1 . 1 14 14 ARG H H 1 8.702 0.004 . 1 . . . . . 14 ARG H . 26931 1 56 . 1 . 1 14 14 ARG C C 13 175.182 0.000 . 1 . . . . . 14 ARG C . 26931 1 57 . 1 . 1 14 14 ARG CA C 13 54.585 0.005 . 1 . . . . . 14 ARG CA . 26931 1 58 . 1 . 1 14 14 ARG CB C 13 33.685 0.072 . 1 . . . . . 14 ARG CB . 26931 1 59 . 1 . 1 14 14 ARG N N 15 122.913 0.051 . 1 . . . . . 14 ARG N . 26931 1 60 . 1 . 1 15 15 GLU H H 1 9.378 0.004 . 1 . . . . . 15 GLU H . 26931 1 61 . 1 . 1 15 15 GLU C C 13 173.733 0.000 . 1 . . . . . 15 GLU C . 26931 1 62 . 1 . 1 15 15 GLU CA C 13 54.993 0.067 . 1 . . . . . 15 GLU CA . 26931 1 63 . 1 . 1 15 15 GLU CB C 13 33.895 0.040 . 1 . . . . . 15 GLU CB . 26931 1 64 . 1 . 1 15 15 GLU N N 15 126.666 0.038 . 1 . . . . . 15 GLU N . 26931 1 65 . 1 . 1 16 16 VAL H H 1 8.513 0.004 . 1 . . . . . 16 VAL H . 26931 1 66 . 1 . 1 16 16 VAL C C 13 176.081 0.000 . 1 . . . . . 16 VAL C . 26931 1 67 . 1 . 1 16 16 VAL CA C 13 61.020 0.057 . 1 . . . . . 16 VAL CA . 26931 1 68 . 1 . 1 16 16 VAL CB C 13 33.690 0.138 . 1 . . . . . 16 VAL CB . 26931 1 69 . 1 . 1 16 16 VAL N N 15 120.758 0.052 . 1 . . . . . 16 VAL N . 26931 1 70 . 1 . 1 17 17 VAL H H 1 9.163 0.004 . 1 . . . . . 17 VAL H . 26931 1 71 . 1 . 1 17 17 VAL C C 13 175.150 0.000 . 1 . . . . . 17 VAL C . 26931 1 72 . 1 . 1 17 17 VAL CA C 13 61.271 0.116 . 1 . . . . . 17 VAL CA . 26931 1 73 . 1 . 1 17 17 VAL CB C 13 35.327 0.037 . 1 . . . . . 17 VAL CB . 26931 1 74 . 1 . 1 17 17 VAL N N 15 127.388 0.029 . 1 . . . . . 17 VAL N . 26931 1 75 . 1 . 1 18 18 VAL H H 1 8.671 0.005 . 1 . . . . . 18 VAL H . 26931 1 76 . 1 . 1 18 18 VAL C C 13 176.466 0.000 . 1 . . . . . 18 VAL C . 26931 1 77 . 1 . 1 18 18 VAL CA C 13 61.687 0.045 . 1 . . . . . 18 VAL CA . 26931 1 78 . 1 . 1 18 18 VAL CB C 13 32.735 0.068 . 1 . . . . . 18 VAL CB . 26931 1 79 . 1 . 1 18 18 VAL N N 15 128.285 0.031 . 1 . . . . . 18 VAL N . 26931 1 80 . 1 . 1 19 19 ARG H H 1 9.217 0.004 . 1 . . . . . 19 ARG H . 26931 1 81 . 1 . 1 19 19 ARG HE H 1 9.595 0.003 . 1 . . . . . 19 ARG HE . 26931 1 82 . 1 . 1 19 19 ARG C C 13 178.672 0.000 . 1 . . . . . 19 ARG C . 26931 1 83 . 1 . 1 19 19 ARG CA C 13 58.528 0.056 . 1 . . . . . 19 ARG CA . 26931 1 84 . 1 . 1 19 19 ARG CB C 13 30.621 0.017 . 1 . . . . . 19 ARG CB . 26931 1 85 . 1 . 1 19 19 ARG N N 15 128.048 0.033 . 1 . . . . . 19 ARG N . 26931 1 86 . 1 . 1 20 20 LYS H H 1 8.879 0.009 . 1 . . . . . 20 LYS H . 26931 1 87 . 1 . 1 20 20 LYS C C 13 176.034 0.000 . 1 . . . . . 20 LYS C . 26931 1 88 . 1 . 1 20 20 LYS CA C 13 57.367 0.031 . 1 . . . . . 20 LYS CA . 26931 1 89 . 1 . 1 20 20 LYS CB C 13 34.828 0.070 . 1 . . . . . 20 LYS CB . 26931 1 90 . 1 . 1 20 20 LYS N N 15 123.856 0.057 . 1 . . . . . 20 LYS N . 26931 1 91 . 1 . 1 21 21 ASN H H 1 8.497 0.004 . 1 . . . . . 21 ASN H . 26931 1 92 . 1 . 1 21 21 ASN C C 13 173.431 0.000 . 1 . . . . . 21 ASN C . 26931 1 93 . 1 . 1 21 21 ASN CA C 13 52.250 0.052 . 1 . . . . . 21 ASN CA . 26931 1 94 . 1 . 1 21 21 ASN CB C 13 43.009 0.099 . 1 . . . . . 21 ASN CB . 26931 1 95 . 1 . 1 21 21 ASN N N 15 118.534 0.029 . 1 . . . . . 21 ASN N . 26931 1 96 . 1 . 1 22 22 GLY H H 1 8.134 0.003 . 1 . . . . . 22 GLY H . 26931 1 97 . 1 . 1 22 22 GLY C C 13 175.847 0.000 . 1 . . . . . 22 GLY C . 26931 1 98 . 1 . 1 22 22 GLY CA C 13 44.254 0.059 . 1 . . . . . 22 GLY CA . 26931 1 99 . 1 . 1 22 22 GLY N N 15 102.469 0.021 . 1 . . . . . 22 GLY N . 26931 1 100 . 1 . 1 23 23 GLN H H 1 9.075 0.004 . 1 . . . . . 23 GLN H . 26931 1 101 . 1 . 1 23 23 GLN C C 13 177.686 0.000 . 1 . . . . . 23 GLN C . 26931 1 102 . 1 . 1 23 23 GLN CA C 13 58.539 0.064 . 1 . . . . . 23 GLN CA . 26931 1 103 . 1 . 1 23 23 GLN CB C 13 28.819 0.030 . 1 . . . . . 23 GLN CB . 26931 1 104 . 1 . 1 23 23 GLN N N 15 121.419 0.021 . 1 . . . . . 23 GLN N . 26931 1 105 . 1 . 1 24 24 SER H H 1 8.462 0.004 . 1 . . . . . 24 SER H . 26931 1 106 . 1 . 1 24 24 SER C C 13 172.710 0.000 . 1 . . . . . 24 SER C . 26931 1 107 . 1 . 1 24 24 SER CA C 13 57.354 0.047 . 1 . . . . . 24 SER CA . 26931 1 108 . 1 . 1 24 24 SER CB C 13 63.142 0.046 . 1 . . . . . 24 SER CB . 26931 1 109 . 1 . 1 24 24 SER N N 15 110.435 0.016 . 1 . . . . . 24 SER N . 26931 1 110 . 1 . 1 25 25 ALA H H 1 6.926 0.003 . 1 . . . . . 25 ALA H . 26931 1 111 . 1 . 1 25 25 ALA C C 13 178.267 0.000 . 1 . . . . . 25 ALA C . 26931 1 112 . 1 . 1 25 25 ALA CA C 13 54.406 0.031 . 1 . . . . . 25 ALA CA . 26931 1 113 . 1 . 1 25 25 ALA CB C 13 17.598 0.060 . 1 . . . . . 25 ALA CB . 26931 1 114 . 1 . 1 25 25 ALA N N 15 124.315 0.024 . 1 . . . . . 25 ALA N . 26931 1 115 . 1 . 1 26 26 GLY H H 1 8.516 0.002 . 1 . . . . . 26 GLY H . 26931 1 116 . 1 . 1 26 26 GLY C C 13 174.389 0.000 . 1 . . . . . 26 GLY C . 26931 1 117 . 1 . 1 26 26 GLY CA C 13 44.901 0.072 . 1 . . . . . 26 GLY CA . 26931 1 118 . 1 . 1 26 26 GLY N N 15 111.896 0.032 . 1 . . . . . 26 GLY N . 26931 1 119 . 1 . 1 27 27 LYS H H 1 8.222 0.003 . 1 . . . . . 27 LYS H . 26931 1 120 . 1 . 1 27 27 LYS C C 13 174.665 0.000 . 1 . . . . . 27 LYS C . 26931 1 121 . 1 . 1 27 27 LYS CA C 13 56.903 0.090 . 1 . . . . . 27 LYS CA . 26931 1 122 . 1 . 1 27 27 LYS CB C 13 34.594 0.022 . 1 . . . . . 27 LYS CB . 26931 1 123 . 1 . 1 27 27 LYS N N 15 123.452 0.034 . 1 . . . . . 27 LYS N . 26931 1 124 . 1 . 1 28 28 THR H H 1 8.177 0.004 . 1 . . . . . 28 THR H . 26931 1 125 . 1 . 1 28 28 THR C C 13 174.253 0.000 . 1 . . . . . 28 THR C . 26931 1 126 . 1 . 1 28 28 THR CA C 13 60.673 0.061 . 1 . . . . . 28 THR CA . 26931 1 127 . 1 . 1 28 28 THR CB C 13 71.083 0.050 . 1 . . . . . 28 THR CB . 26931 1 128 . 1 . 1 28 28 THR N N 15 114.798 0.052 . 1 . . . . . 28 THR N . 26931 1 129 . 1 . 1 29 29 ASP H H 1 8.795 0.003 . 1 . . . . . 29 ASP H . 26931 1 130 . 1 . 1 29 29 ASP C C 13 173.156 0.000 . 1 . . . . . 29 ASP C . 26931 1 131 . 1 . 1 29 29 ASP CA C 13 53.574 0.056 . 1 . . . . . 29 ASP CA . 26931 1 132 . 1 . 1 29 29 ASP CB C 13 45.455 0.000 . 1 . . . . . 29 ASP CB . 26931 1 133 . 1 . 1 29 29 ASP N N 15 121.075 0.038 . 1 . . . . . 29 ASP N . 26931 1 134 . 1 . 1 30 30 VAL H H 1 7.965 0.004 . 1 . . . . . 30 VAL H . 26931 1 135 . 1 . 1 30 30 VAL C C 13 173.574 0.000 . 1 . . . . . 30 VAL C . 26931 1 136 . 1 . 1 30 30 VAL CA C 13 60.775 0.025 . 1 . . . . . 30 VAL CA . 26931 1 137 . 1 . 1 30 30 VAL CB C 13 32.816 0.075 . 1 . . . . . 30 VAL CB . 26931 1 138 . 1 . 1 30 30 VAL N N 15 120.891 0.054 . 1 . . . . . 30 VAL N . 26931 1 139 . 1 . 1 31 31 TYR H H 1 8.604 0.003 . 1 . . . . . 31 TYR H . 26931 1 140 . 1 . 1 31 31 TYR C C 13 173.305 0.000 . 1 . . . . . 31 TYR C . 26931 1 141 . 1 . 1 31 31 TYR CA C 13 55.964 0.024 . 1 . . . . . 31 TYR CA . 26931 1 142 . 1 . 1 31 31 TYR CB C 13 42.364 0.091 . 1 . . . . . 31 TYR CB . 26931 1 143 . 1 . 1 31 31 TYR N N 15 121.722 0.069 . 1 . . . . . 31 TYR N . 26931 1 144 . 1 . 1 32 32 TYR H H 1 8.635 0.003 . 1 . . . . . 32 TYR H . 26931 1 145 . 1 . 1 32 32 TYR C C 13 174.963 0.000 . 1 . . . . . 32 TYR C . 26931 1 146 . 1 . 1 32 32 TYR CA C 13 55.477 0.083 . 1 . . . . . 32 TYR CA . 26931 1 147 . 1 . 1 32 32 TYR CB C 13 42.726 0.037 . 1 . . . . . 32 TYR CB . 26931 1 148 . 1 . 1 32 32 TYR N N 15 117.866 0.038 . 1 . . . . . 32 TYR N . 26931 1 149 . 1 . 1 33 33 PHE H H 1 9.488 0.004 . 1 . . . . . 33 PHE H . 26931 1 150 . 1 . 1 33 33 PHE C C 13 175.721 0.000 . 1 . . . . . 33 PHE C . 26931 1 151 . 1 . 1 33 33 PHE CA C 13 55.862 0.067 . 1 . . . . . 33 PHE CA . 26931 1 152 . 1 . 1 33 33 PHE CB C 13 42.309 0.098 . 1 . . . . . 33 PHE CB . 26931 1 153 . 1 . 1 33 33 PHE N N 15 119.432 0.029 . 1 . . . . . 33 PHE N . 26931 1 154 . 1 . 1 34 34 SER H H 1 8.884 0.004 . 1 . . . . . 34 SER H . 26931 1 155 . 1 . 1 34 34 SER CA C 13 55.509 0.038 . 1 . . . . . 34 SER CA . 26931 1 156 . 1 . 1 34 34 SER CB C 13 62.946 0.000 . 1 . . . . . 34 SER CB . 26931 1 157 . 1 . 1 34 34 SER N N 15 120.017 0.028 . 1 . . . . . 34 SER N . 26931 1 158 . 1 . 1 35 35 PRO C C 13 176.513 0.000 . 1 . . . . . 35 PRO C . 26931 1 159 . 1 . 1 35 35 PRO CA C 13 64.744 0.053 . 1 . . . . . 35 PRO CA . 26931 1 160 . 1 . 1 35 35 PRO CB C 13 31.543 0.000 . 1 . . . . . 35 PRO CB . 26931 1 161 . 1 . 1 36 36 CYS H H 1 7.192 0.004 . 1 . . . . . 36 CYS H . 26931 1 162 . 1 . 1 36 36 CYS C C 13 175.168 0.000 . 1 . . . . . 36 CYS C . 26931 1 163 . 1 . 1 36 36 CYS CA C 13 54.446 0.008 . 1 . . . . . 36 CYS CA . 26931 1 164 . 1 . 1 36 36 CYS CB C 13 39.699 0.079 . 1 . . . . . 36 CYS CB . 26931 1 165 . 1 . 1 36 36 CYS N N 15 111.061 0.065 . 1 . . . . . 36 CYS N . 26931 1 166 . 1 . 1 37 37 GLY H H 1 8.107 0.003 . 1 . . . . . 37 GLY H . 26931 1 167 . 1 . 1 37 37 GLY C C 13 173.628 0.000 . 1 . . . . . 37 GLY C . 26931 1 168 . 1 . 1 37 37 GLY CA C 13 45.601 0.050 . 1 . . . . . 37 GLY CA . 26931 1 169 . 1 . 1 37 37 GLY N N 15 109.238 0.061 . 1 . . . . . 37 GLY N . 26931 1 170 . 1 . 1 38 38 LYS H H 1 7.221 0.006 . 1 . . . . . 38 LYS H . 26931 1 171 . 1 . 1 38 38 LYS C C 13 174.273 0.000 . 1 . . . . . 38 LYS C . 26931 1 172 . 1 . 1 38 38 LYS CA C 13 55.985 0.024 . 1 . . . . . 38 LYS CA . 26931 1 173 . 1 . 1 38 38 LYS CB C 13 33.084 0.049 . 1 . . . . . 38 LYS CB . 26931 1 174 . 1 . 1 38 38 LYS N N 15 121.281 0.017 . 1 . . . . . 38 LYS N . 26931 1 175 . 1 . 1 39 39 LYS H H 1 8.167 0.006 . 1 . . . . . 39 LYS H . 26931 1 176 . 1 . 1 39 39 LYS C C 13 175.410 0.000 . 1 . . . . . 39 LYS C . 26931 1 177 . 1 . 1 39 39 LYS CA C 13 55.793 0.081 . 1 . . . . . 39 LYS CA . 26931 1 178 . 1 . 1 39 39 LYS CB C 13 34.835 0.074 . 1 . . . . . 39 LYS CB . 26931 1 179 . 1 . 1 39 39 LYS N N 15 126.701 0.033 . 1 . . . . . 39 LYS N . 26931 1 180 . 1 . 1 40 40 PHE H H 1 9.620 0.005 . 1 . . . . . 40 PHE H . 26931 1 181 . 1 . 1 40 40 PHE C C 13 176.045 0.000 . 1 . . . . . 40 PHE C . 26931 1 182 . 1 . 1 40 40 PHE CA C 13 56.909 0.046 . 1 . . . . . 40 PHE CA . 26931 1 183 . 1 . 1 40 40 PHE CB C 13 43.827 0.011 . 1 . . . . . 40 PHE CB . 26931 1 184 . 1 . 1 40 40 PHE N N 15 124.815 0.050 . 1 . . . . . 40 PHE N . 26931 1 185 . 1 . 1 41 41 ARG H H 1 9.389 0.005 . 1 . . . . . 41 ARG H . 26931 1 186 . 1 . 1 41 41 ARG C C 13 174.928 0.000 . 1 . . . . . 41 ARG C . 26931 1 187 . 1 . 1 41 41 ARG CA C 13 55.423 0.039 . 1 . . . . . 41 ARG CA . 26931 1 188 . 1 . 1 41 41 ARG CB C 13 33.138 0.017 . 1 . . . . . 41 ARG CB . 26931 1 189 . 1 . 1 41 41 ARG N N 15 116.284 0.058 . 1 . . . . . 41 ARG N . 26931 1 190 . 1 . 1 42 42 SER H H 1 7.714 0.003 . 1 . . . . . 42 SER H . 26931 1 191 . 1 . 1 42 42 SER C C 13 172.736 0.000 . 1 . . . . . 42 SER C . 26931 1 192 . 1 . 1 42 42 SER CA C 13 57.308 0.021 . 1 . . . . . 42 SER CA . 26931 1 193 . 1 . 1 42 42 SER CB C 13 66.001 0.039 . 1 . . . . . 42 SER CB . 26931 1 194 . 1 . 1 42 42 SER N N 15 111.505 0.021 . 1 . . . . . 42 SER N . 26931 1 195 . 1 . 1 43 43 LYS H H 1 9.273 0.008 . 1 . . . . . 43 LYS H . 26931 1 196 . 1 . 1 43 43 LYS CA C 13 61.075 0.000 . 1 . . . . . 43 LYS CA . 26931 1 197 . 1 . 1 43 43 LYS N N 15 119.931 0.071 . 1 . . . . . 43 LYS N . 26931 1 198 . 1 . 1 44 44 PRO C C 13 178.766 0.000 . 1 . . . . . 44 PRO C . 26931 1 199 . 1 . 1 44 44 PRO CA C 13 66.025 0.000 . 1 . . . . . 44 PRO CA . 26931 1 200 . 1 . 1 44 44 PRO CB C 13 31.442 0.000 . 1 . . . . . 44 PRO CB . 26931 1 201 . 1 . 1 45 45 GLN H H 1 7.696 0.004 . 1 . . . . . 45 GLN H . 26931 1 202 . 1 . 1 45 45 GLN C C 13 179.339 0.000 . 1 . . . . . 45 GLN C . 26931 1 203 . 1 . 1 45 45 GLN CA C 13 59.485 0.026 . 1 . . . . . 45 GLN CA . 26931 1 204 . 1 . 1 45 45 GLN CB C 13 29.057 0.081 . 1 . . . . . 45 GLN CB . 26931 1 205 . 1 . 1 45 45 GLN N N 15 116.622 0.055 . 1 . . . . . 45 GLN N . 26931 1 206 . 1 . 1 46 46 ILE H H 1 7.373 0.003 . 1 . . . . . 46 ILE H . 26931 1 207 . 1 . 1 46 46 ILE C C 13 177.198 0.000 . 1 . . . . . 46 ILE C . 26931 1 208 . 1 . 1 46 46 ILE CA C 13 65.333 0.029 . 1 . . . . . 46 ILE CA . 26931 1 209 . 1 . 1 46 46 ILE N N 15 119.900 0.021 . 1 . . . . . 46 ILE N . 26931 1 210 . 1 . 1 47 47 ALA H H 1 7.777 0.007 . 1 . . . . . 47 ALA H . 26931 1 211 . 1 . 1 47 47 ALA C C 13 181.006 0.000 . 1 . . . . . 47 ALA C . 26931 1 212 . 1 . 1 47 47 ALA CA C 13 55.028 0.003 . 1 . . . . . 47 ALA CA . 26931 1 213 . 1 . 1 47 47 ALA CB C 13 17.882 0.014 . 1 . . . . . 47 ALA CB . 26931 1 214 . 1 . 1 47 47 ALA N N 15 121.023 0.019 . 1 . . . . . 47 ALA N . 26931 1 215 . 1 . 1 48 48 ARG H H 1 8.075 0.005 . 1 . . . . . 48 ARG H . 26931 1 216 . 1 . 1 48 48 ARG C C 13 177.932 0.000 . 1 . . . . . 48 ARG C . 26931 1 217 . 1 . 1 48 48 ARG CA C 13 59.085 0.032 . 1 . . . . . 48 ARG CA . 26931 1 218 . 1 . 1 48 48 ARG CB C 13 30.554 0.007 . 1 . . . . . 48 ARG CB . 26931 1 219 . 1 . 1 48 48 ARG N N 15 117.423 0.056 . 1 . . . . . 48 ARG N . 26931 1 220 . 1 . 1 49 49 PHE H H 1 7.730 0.005 . 1 . . . . . 49 PHE H . 26931 1 221 . 1 . 1 49 49 PHE C C 13 177.253 0.000 . 1 . . . . . 49 PHE C . 26931 1 222 . 1 . 1 49 49 PHE CA C 13 60.389 0.023 . 1 . . . . . 49 PHE CA . 26931 1 223 . 1 . 1 49 49 PHE CB C 13 40.167 0.149 . 1 . . . . . 49 PHE CB . 26931 1 224 . 1 . 1 49 49 PHE N N 15 120.456 0.048 . 1 . . . . . 49 PHE N . 26931 1 225 . 1 . 1 50 50 LEU H H 1 8.412 0.004 . 1 . . . . . 50 LEU H . 26931 1 226 . 1 . 1 50 50 LEU C C 13 179.028 0.000 . 1 . . . . . 50 LEU C . 26931 1 227 . 1 . 1 50 50 LEU CA C 13 56.441 0.038 . 1 . . . . . 50 LEU CA . 26931 1 228 . 1 . 1 50 50 LEU CB C 13 41.980 0.027 . 1 . . . . . 50 LEU CB . 26931 1 229 . 1 . 1 50 50 LEU N N 15 118.062 0.055 . 1 . . . . . 50 LEU N . 26931 1 230 . 1 . 1 51 51 GLY H H 1 7.871 0.006 . 1 . . . . . 51 GLY H . 26931 1 231 . 1 . 1 51 51 GLY C C 13 174.454 0.000 . 1 . . . . . 51 GLY C . 26931 1 232 . 1 . 1 51 51 GLY CA C 13 46.353 0.023 . 1 . . . . . 51 GLY CA . 26931 1 233 . 1 . 1 51 51 GLY N N 15 106.736 0.027 . 1 . . . . . 51 GLY N . 26931 1 234 . 1 . 1 52 52 ASP H H 1 7.998 0.002 . 1 . . . . . 52 ASP H . 26931 1 235 . 1 . 1 52 52 ASP C C 13 175.946 0.000 . 1 . . . . . 52 ASP C . 26931 1 236 . 1 . 1 52 52 ASP CA C 13 54.236 0.043 . 1 . . . . . 52 ASP CA . 26931 1 237 . 1 . 1 52 52 ASP CB C 13 41.273 0.053 . 1 . . . . . 52 ASP CB . 26931 1 238 . 1 . 1 52 52 ASP N N 15 121.628 0.006 . 1 . . . . . 52 ASP N . 26931 1 239 . 1 . 1 53 53 ALA H H 1 7.851 0.003 . 1 . . . . . 53 ALA H . 26931 1 240 . 1 . 1 53 53 ALA C C 13 177.254 0.007 . 1 . . . . . 53 ALA C . 26931 1 241 . 1 . 1 53 53 ALA CA C 13 52.624 0.026 . 1 . . . . . 53 ALA CA . 26931 1 242 . 1 . 1 53 53 ALA CB C 13 18.916 0.050 . 1 . . . . . 53 ALA CB . 26931 1 243 . 1 . 1 53 53 ALA N N 15 123.010 0.027 . 1 . . . . . 53 ALA N . 26931 1 244 . 1 . 1 54 54 VAL H H 1 7.988 0.003 . 1 . . . . . 54 VAL H . 26931 1 245 . 1 . 1 54 54 VAL C C 13 174.085 0.000 . 1 . . . . . 54 VAL C . 26931 1 246 . 1 . 1 54 54 VAL CA C 13 62.614 0.063 . 1 . . . . . 54 VAL CA . 26931 1 247 . 1 . 1 54 54 VAL CB C 13 32.714 0.030 . 1 . . . . . 54 VAL CB . 26931 1 248 . 1 . 1 54 54 VAL N N 15 117.558 0.086 . 1 . . . . . 54 VAL N . 26931 1 249 . 1 . 1 55 55 ASP H H 1 8.165 0.007 . 1 . . . . . 55 ASP H . 26931 1 250 . 1 . 1 55 55 ASP C C 13 175.936 0.000 . 1 . . . . . 55 ASP C . 26931 1 251 . 1 . 1 55 55 ASP CA C 13 53.832 0.069 . 1 . . . . . 55 ASP CA . 26931 1 252 . 1 . 1 55 55 ASP CB C 13 41.473 0.112 . 1 . . . . . 55 ASP CB . 26931 1 253 . 1 . 1 55 55 ASP N N 15 121.689 0.023 . 1 . . . . . 55 ASP N . 26931 1 254 . 1 . 1 56 56 LEU H H 1 8.442 0.005 . 1 . . . . . 56 LEU H . 26931 1 255 . 1 . 1 56 56 LEU C C 13 177.720 0.000 . 1 . . . . . 56 LEU C . 26931 1 256 . 1 . 1 56 56 LEU CA C 13 55.149 0.086 . 1 . . . . . 56 LEU CA . 26931 1 257 . 1 . 1 56 56 LEU CB C 13 42.427 0.058 . 1 . . . . . 56 LEU CB . 26931 1 258 . 1 . 1 56 56 LEU N N 15 123.670 0.022 . 1 . . . . . 56 LEU N . 26931 1 259 . 1 . 1 57 57 THR H H 1 8.341 0.003 . 1 . . . . . 57 THR H . 26931 1 260 . 1 . 1 57 57 THR C C 13 174.728 0.000 . 1 . . . . . 57 THR C . 26931 1 261 . 1 . 1 57 57 THR CA C 13 62.842 0.040 . 1 . . . . . 57 THR CA . 26931 1 262 . 1 . 1 57 57 THR CB C 13 69.853 0.025 . 1 . . . . . 57 THR CB . 26931 1 263 . 1 . 1 57 57 THR N N 15 114.552 0.056 . 1 . . . . . 57 THR N . 26931 1 264 . 1 . 1 58 58 CYS H H 1 8.288 0.006 . 1 . . . . . 58 CYS H . 26931 1 265 . 1 . 1 58 58 CYS CA C 13 55.244 0.026 . 1 . . . . . 58 CYS CA . 26931 1 266 . 1 . 1 58 58 CYS CB C 13 40.152 0.000 . 1 . . . . . 58 CYS CB . 26931 1 267 . 1 . 1 58 58 CYS N N 15 119.528 0.015 . 1 . . . . . 58 CYS N . 26931 1 268 . 1 . 1 62 62 SER H H 1 8.287 0.007 . 1 . . . . . 62 SER H . 26931 1 269 . 1 . 1 62 62 SER CA C 13 59.226 0.058 . 1 . . . . . 62 SER CA . 26931 1 270 . 1 . 1 62 62 SER CB C 13 63.646 0.054 . 1 . . . . . 62 SER CB . 26931 1 271 . 1 . 1 62 62 SER N N 15 116.749 0.021 . 1 . . . . . 62 SER N . 26931 1 272 . 1 . 1 63 63 ARG H H 1 7.998 0.004 . 1 . . . . . 63 ARG H . 26931 1 273 . 1 . 1 63 63 ARG C C 13 176.018 0.000 . 1 . . . . . 63 ARG C . 26931 1 274 . 1 . 1 63 63 ARG CA C 13 55.958 0.036 . 1 . . . . . 63 ARG CA . 26931 1 275 . 1 . 1 63 63 ARG CB C 13 30.398 0.018 . 1 . . . . . 63 ARG CB . 26931 1 276 . 1 . 1 63 63 ARG N N 15 122.345 0.034 . 1 . . . . . 63 ARG N . 26931 1 277 . 1 . 1 64 64 ALA H H 1 8.108 0.003 . 1 . . . . . 64 ALA H . 26931 1 278 . 1 . 1 64 64 ALA C C 13 178.080 0.000 . 1 . . . . . 64 ALA C . 26931 1 279 . 1 . 1 64 64 ALA CA C 13 52.706 0.011 . 1 . . . . . 64 ALA CA . 26931 1 280 . 1 . 1 64 64 ALA CB C 13 19.177 0.022 . 1 . . . . . 64 ALA CB . 26931 1 281 . 1 . 1 64 64 ALA N N 15 124.642 0.018 . 1 . . . . . 64 ALA N . 26931 1 282 . 1 . 1 65 65 GLY H H 1 8.313 0.003 . 1 . . . . . 65 GLY H . 26931 1 283 . 1 . 1 65 65 GLY C C 13 173.801 0.000 . 1 . . . . . 65 GLY C . 26931 1 284 . 1 . 1 65 65 GLY CA C 13 45.013 0.024 . 1 . . . . . 65 GLY CA . 26931 1 285 . 1 . 1 65 65 GLY N N 15 108.158 0.021 . 1 . . . . . 65 GLY N . 26931 1 286 . 1 . 1 66 66 SER H H 1 8.206 0.006 . 1 . . . . . 66 SER H . 26931 1 287 . 1 . 1 66 66 SER CA C 13 56.343 0.007 . 1 . . . . . 66 SER CA . 26931 1 288 . 1 . 1 66 66 SER CB C 13 63.545 0.000 . 1 . . . . . 66 SER CB . 26931 1 289 . 1 . 1 66 66 SER N N 15 116.831 0.032 . 1 . . . . . 66 SER N . 26931 1 290 . 1 . 1 67 67 PRO C C 13 177.513 0.000 . 1 . . . . . 67 PRO C . 26931 1 291 . 1 . 1 67 67 PRO CA C 13 63.706 0.023 . 1 . . . . . 67 PRO CA . 26931 1 292 . 1 . 1 67 67 PRO CB C 13 31.911 0.030 . 1 . . . . . 67 PRO CB . 26931 1 293 . 1 . 1 68 68 GLY H H 1 8.371 0.002 . 1 . . . . . 68 GLY H . 26931 1 294 . 1 . 1 68 68 GLY C C 13 173.872 0.000 . 1 . . . . . 68 GLY C . 26931 1 295 . 1 . 1 68 68 GLY CA C 13 45.216 0.022 . 1 . . . . . 68 GLY CA . 26931 1 296 . 1 . 1 68 68 GLY N N 15 109.089 0.022 . 1 . . . . . 68 GLY N . 26931 1 297 . 1 . 1 69 69 ASP H H 1 8.152 0.007 . 1 . . . . . 69 ASP H . 26931 1 298 . 1 . 1 69 69 ASP C C 13 175.724 0.000 . 1 . . . . . 69 ASP C . 26931 1 299 . 1 . 1 69 69 ASP CA C 13 54.399 0.052 . 1 . . . . . 69 ASP CA . 26931 1 300 . 1 . 1 69 69 ASP CB C 13 41.357 0.054 . 1 . . . . . 69 ASP CB . 26931 1 301 . 1 . 1 69 69 ASP N N 15 120.718 0.051 . 1 . . . . . 69 ASP N . 26931 1 302 . 1 . 1 70 70 GLY H H 1 7.929 0.007 . 1 . . . . . 70 GLY H . 26931 1 303 . 1 . 1 70 70 GLY CA C 13 46.202 0.002 . 1 . . . . . 70 GLY CA . 26931 1 304 . 1 . 1 70 70 GLY N N 15 115.024 0.011 . 1 . . . . . 70 GLY N . 26931 1 stop_ save_