################################### # 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 51397 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'mCpx1 CTD assignments' _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 'mCpx1 CTD bound to DPC micelles' _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' . . . 51397 1 2 '3D CBCA(CO)NH' . . . 51397 1 3 '3D HNCA' . . . 51397 1 4 '3D HNCACB' . . . 51397 1 5 '3D HN(CA)CO' . . . 51397 1 6 '3D HNCO' . . . 51397 1 7 '3D HN(COCA)NH' . . . 51397 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 . . 51397 1 2 $software_2 . . 51397 1 3 $software_3 . . 51397 1 4 $software_4 . . 51397 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 ILE C C 13 176.140 0.00 . 1 . . . . . 72 ILE C . 51397 1 2 . 1 . 1 2 2 ILE CA C 13 61.453 0.04 . 1 . . . . . 72 ILE CA . 51397 1 3 . 1 . 1 2 2 ILE CB C 13 39.050 0.02 . 1 . . . . . 72 ILE CB . 51397 1 4 . 1 . 1 3 3 LYS H H 1 8.360 0.00 . 1 . . . . . 73 LYS H . 51397 1 5 . 1 . 1 3 3 LYS C C 13 176.337 0.00 . 1 . . . . . 73 LYS C . 51397 1 6 . 1 . 1 3 3 LYS CA C 13 56.323 0.04 . 1 . . . . . 73 LYS CA . 51397 1 7 . 1 . 1 3 3 LYS CB C 13 33.139 0.00 . 1 . . . . . 73 LYS CB . 51397 1 8 . 1 . 1 3 3 LYS N N 15 125.706 0.03 . 1 . . . . . 73 LYS N . 51397 1 9 . 1 . 1 4 4 LYS H H 1 8.384 0.00 . 1 . . . . . 74 LYS H . 51397 1 10 . 1 . 1 4 4 LYS C C 13 176.621 0.00 . 1 . . . . . 74 LYS C . 51397 1 11 . 1 . 1 4 4 LYS CA C 13 56.412 0.04 . 1 . . . . . 74 LYS CA . 51397 1 12 . 1 . 1 4 4 LYS CB C 13 33.291 0.00 . 1 . . . . . 74 LYS CB . 51397 1 13 . 1 . 1 4 4 LYS N N 15 123.838 0.05 . 1 . . . . . 74 LYS N . 51397 1 14 . 1 . 1 5 5 LYS H H 1 8.386 0.00 . 1 . . . . . 75 LYS H . 51397 1 15 . 1 . 1 5 5 LYS C C 13 176.723 0.00 . 1 . . . . . 75 LYS C . 51397 1 16 . 1 . 1 5 5 LYS CA C 13 57.258 0.05 . 1 . . . . . 75 LYS CA . 51397 1 17 . 1 . 1 5 5 LYS CB C 13 33.006 0.08 . 1 . . . . . 75 LYS CB . 51397 1 18 . 1 . 1 5 5 LYS N N 15 123.484 0.03 . 1 . . . . . 75 LYS N . 51397 1 19 . 1 . 1 6 6 GLU H H 1 8.609 0.00 . 1 . . . . . 76 GLU H . 51397 1 20 . 1 . 1 6 6 GLU C C 13 176.813 0.00 . 1 . . . . . 76 GLU C . 51397 1 21 . 1 . 1 6 6 GLU CA C 13 57.152 0.04 . 1 . . . . . 76 GLU CA . 51397 1 22 . 1 . 1 6 6 GLU CB C 13 29.978 0.00 . 1 . . . . . 76 GLU CB . 51397 1 23 . 1 . 1 6 6 GLU N N 15 121.686 0.03 . 1 . . . . . 76 GLU N . 51397 1 24 . 1 . 1 7 7 GLU H H 1 8.241 0.00 . 1 . . . . . 77 GLU H . 51397 1 25 . 1 . 1 7 7 GLU C C 13 176.741 0.00 . 1 . . . . . 77 GLU C . 51397 1 26 . 1 . 1 7 7 GLU CA C 13 57.019 0.08 . 1 . . . . . 77 GLU CA . 51397 1 27 . 1 . 1 7 7 GLU CB C 13 30.067 0.00 . 1 . . . . . 77 GLU CB . 51397 1 28 . 1 . 1 7 7 GLU N N 15 122.037 0.03 . 1 . . . . . 77 GLU N . 51397 1 29 . 1 . 1 8 8 ARG H H 1 8.244 0.00 . 1 . . . . . 78 ARG H . 51397 1 30 . 1 . 1 8 8 ARG C C 13 176.875 0.00 . 1 . . . . . 78 ARG C . 51397 1 31 . 1 . 1 8 8 ARG CA C 13 56.659 0.13 . 1 . . . . . 78 ARG CA . 51397 1 32 . 1 . 1 8 8 ARG CB C 13 30.448 0.13 . 1 . . . . . 78 ARG CB . 51397 1 33 . 1 . 1 8 8 ARG N N 15 121.222 0.02 . 1 . . . . . 78 ARG N . 51397 1 34 . 1 . 1 9 9 GLU H H 1 8.392 0.00 . 1 . . . . . 79 GLU H . 51397 1 35 . 1 . 1 9 9 GLU C C 13 176.843 0.00 . 1 . . . . . 79 GLU C . 51397 1 36 . 1 . 1 9 9 GLU CA C 13 57.276 0.08 . 1 . . . . . 79 GLU CA . 51397 1 37 . 1 . 1 9 9 GLU CB C 13 30.254 0.00 . 1 . . . . . 79 GLU CB . 51397 1 38 . 1 . 1 9 9 GLU N N 15 121.822 0.09 . 1 . . . . . 79 GLU N . 51397 1 39 . 1 . 1 10 10 ALA H H 1 8.172 0.00 . 1 . . . . . 80 ALA H . 51397 1 40 . 1 . 1 10 10 ALA C C 13 178.540 0.00 . 1 . . . . . 80 ALA C . 51397 1 41 . 1 . 1 10 10 ALA CA C 13 53.311 0.03 . 1 . . . . . 80 ALA CA . 51397 1 42 . 1 . 1 10 10 ALA CB C 13 18.998 0.00 . 1 . . . . . 80 ALA CB . 51397 1 43 . 1 . 1 10 10 ALA N N 15 124.202 0.02 . 1 . . . . . 80 ALA N . 51397 1 44 . 1 . 1 11 11 GLU H H 1 8.224 0.00 . 1 . . . . . 81 GLU H . 51397 1 45 . 1 . 1 11 11 GLU C C 13 177.033 0.00 . 1 . . . . . 81 GLU C . 51397 1 46 . 1 . 1 11 11 GLU CA C 13 57.345 0.00 . 1 . . . . . 81 GLU CA . 51397 1 47 . 1 . 1 11 11 GLU CB C 13 30.020 0.00 . 1 . . . . . 81 GLU CB . 51397 1 48 . 1 . 1 11 11 GLU N N 15 119.625 0.04 . 1 . . . . . 81 GLU N . 51397 1 49 . 1 . 1 12 12 ALA H H 1 8.103 0.00 . 1 . . . . . 82 ALA H . 51397 1 50 . 1 . 1 12 12 ALA C C 13 178.399 0.00 . 1 . . . . . 82 ALA C . 51397 1 51 . 1 . 1 12 12 ALA CA C 13 53.213 0.02 . 1 . . . . . 82 ALA CA . 51397 1 52 . 1 . 1 12 12 ALA CB C 13 18.926 0.02 . 1 . . . . . 82 ALA CB . 51397 1 53 . 1 . 1 12 12 ALA N N 15 124.210 0.05 . 1 . . . . . 82 ALA N . 51397 1 54 . 1 . 1 13 13 GLN H H 1 8.157 0.00 . 1 . . . . . 83 GLN H . 51397 1 55 . 1 . 1 13 13 GLN C C 13 176.420 0.00 . 1 . . . . . 83 GLN C . 51397 1 56 . 1 . 1 13 13 GLN CA C 13 56.595 0.00 . 1 . . . . . 83 GLN CA . 51397 1 57 . 1 . 1 13 13 GLN CB C 13 29.103 0.00 . 1 . . . . . 83 GLN CB . 51397 1 58 . 1 . 1 13 13 GLN N N 15 118.963 0.03 . 1 . . . . . 83 GLN N . 51397 1 59 . 1 . 1 14 14 ALA H H 1 8.099 0.00 . 1 . . . . . 84 ALA H . 51397 1 60 . 1 . 1 14 14 ALA C C 13 178.030 0.00 . 1 . . . . . 84 ALA C . 51397 1 61 . 1 . 1 14 14 ALA CA C 13 52.937 0.00 . 1 . . . . . 84 ALA CA . 51397 1 62 . 1 . 1 14 14 ALA CB C 13 19.062 0.00 . 1 . . . . . 84 ALA CB . 51397 1 63 . 1 . 1 14 14 ALA N N 15 124.213 0.03 . 1 . . . . . 84 ALA N . 51397 1 64 . 1 . 1 15 15 ALA H H 1 8.037 0.00 . 1 . . . . . 85 ALA H . 51397 1 65 . 1 . 1 15 15 ALA C C 13 178.118 0.00 . 1 . . . . . 85 ALA C . 51397 1 66 . 1 . 1 15 15 ALA CA C 13 52.914 0.04 . 1 . . . . . 85 ALA CA . 51397 1 67 . 1 . 1 15 15 ALA CB C 13 18.944 0.02 . 1 . . . . . 85 ALA CB . 51397 1 68 . 1 . 1 15 15 ALA N N 15 122.285 0.04 . 1 . . . . . 85 ALA N . 51397 1 69 . 1 . 1 16 16 MET H H 1 8.053 0.00 . 1 . . . . . 86 MET H . 51397 1 70 . 1 . 1 16 16 MET C C 13 176.700 0.00 . 1 . . . . . 86 MET C . 51397 1 71 . 1 . 1 16 16 MET CA C 13 56.114 0.01 . 1 . . . . . 86 MET CA . 51397 1 72 . 1 . 1 16 16 MET CB C 13 32.967 0.00 . 1 . . . . . 86 MET CB . 51397 1 73 . 1 . 1 16 16 MET N N 15 118.843 0.03 . 1 . . . . . 86 MET N . 51397 1 74 . 1 . 1 17 17 GLU H H 1 8.227 0.00 . 1 . . . . . 87 GLU H . 51397 1 75 . 1 . 1 17 17 GLU C C 13 176.496 0.00 . 1 . . . . . 87 GLU C . 51397 1 76 . 1 . 1 17 17 GLU CA C 13 57.099 0.16 . 1 . . . . . 87 GLU CA . 51397 1 77 . 1 . 1 17 17 GLU CB C 13 30.101 0.09 . 1 . . . . . 87 GLU CB . 51397 1 78 . 1 . 1 17 17 GLU N N 15 121.431 0.04 . 1 . . . . . 87 GLU N . 51397 1 79 . 1 . 1 18 18 ALA H H 1 8.162 0.01 . 1 . . . . . 88 ALA H . 51397 1 80 . 1 . 1 18 18 ALA C C 13 177.624 0.00 . 1 . . . . . 88 ALA C . 51397 1 81 . 1 . 1 18 18 ALA CA C 13 52.949 0.11 . 1 . . . . . 88 ALA CA . 51397 1 82 . 1 . 1 18 18 ALA CB C 13 19.077 0.02 . 1 . . . . . 88 ALA CB . 51397 1 83 . 1 . 1 18 18 ALA N N 15 124.284 0.06 . 1 . . . . . 88 ALA N . 51397 1 84 . 1 . 1 19 19 ASN H H 1 8.261 0.00 . 1 . . . . . 89 ASN H . 51397 1 85 . 1 . 1 19 19 ASN C C 13 175.510 0.00 . 1 . . . . . 89 ASN C . 51397 1 86 . 1 . 1 19 19 ASN CA C 13 53.377 0.08 . 1 . . . . . 89 ASN CA . 51397 1 87 . 1 . 1 19 19 ASN CB C 13 39.039 0.07 . 1 . . . . . 89 ASN CB . 51397 1 88 . 1 . 1 19 19 ASN N N 15 117.450 0.04 . 1 . . . . . 89 ASN N . 51397 1 89 . 1 . 1 20 20 SER H H 1 8.193 0.00 . 1 . . . . . 90 SER H . 51397 1 90 . 1 . 1 20 20 SER C C 13 174.906 0.00 . 1 . . . . . 90 SER C . 51397 1 91 . 1 . 1 20 20 SER CA C 13 58.899 0.09 . 1 . . . . . 90 SER CA . 51397 1 92 . 1 . 1 20 20 SER CB C 13 64.070 0.01 . 1 . . . . . 90 SER CB . 51397 1 93 . 1 . 1 20 20 SER N N 15 116.167 0.04 . 1 . . . . . 90 SER N . 51397 1 94 . 1 . 1 21 21 GLU H H 1 8.416 0.00 . 1 . . . . . 91 GLU H . 51397 1 95 . 1 . 1 21 21 GLU C C 13 177.224 0.00 . 1 . . . . . 91 GLU C . 51397 1 96 . 1 . 1 21 21 GLU CA C 13 57.268 0.03 . 1 . . . . . 91 GLU CA . 51397 1 97 . 1 . 1 21 21 GLU CB C 13 30.034 0.07 . 1 . . . . . 91 GLU CB . 51397 1 98 . 1 . 1 21 21 GLU N N 15 122.549 0.05 . 1 . . . . . 91 GLU N . 51397 1 99 . 1 . 1 22 22 GLY H H 1 8.309 0.00 . 1 . . . . . 92 GLY H . 51397 1 100 . 1 . 1 22 22 GLY C C 13 174.416 0.00 . 1 . . . . . 92 GLY C . 51397 1 101 . 1 . 1 22 22 GLY CA C 13 45.607 0.06 . 1 . . . . . 92 GLY CA . 51397 1 102 . 1 . 1 22 22 GLY N N 15 109.426 0.05 . 1 . . . . . 92 GLY N . 51397 1 103 . 1 . 1 23 23 SER H H 1 8.079 0.01 . 1 . . . . . 93 SER H . 51397 1 104 . 1 . 1 23 23 SER C C 13 174.778 0.00 . 1 . . . . . 93 SER C . 51397 1 105 . 1 . 1 23 23 SER CA C 13 58.667 0.02 . 1 . . . . . 93 SER CA . 51397 1 106 . 1 . 1 23 23 SER CB C 13 64.052 0.02 . 1 . . . . . 93 SER CB . 51397 1 107 . 1 . 1 23 23 SER N N 15 115.387 0.04 . 1 . . . . . 93 SER N . 51397 1 108 . 1 . 1 24 24 LEU H H 1 8.223 0.00 . 1 . . . . . 94 LEU H . 51397 1 109 . 1 . 1 24 24 LEU C C 13 177.549 0.00 . 1 . . . . . 94 LEU C . 51397 1 110 . 1 . 1 24 24 LEU CA C 13 55.624 0.02 . 1 . . . . . 94 LEU CA . 51397 1 111 . 1 . 1 24 24 LEU CB C 13 42.368 0.03 . 1 . . . . . 94 LEU CB . 51397 1 112 . 1 . 1 24 24 LEU N N 15 123.432 0.05 . 1 . . . . . 94 LEU N . 51397 1 113 . 1 . 1 25 25 THR H H 1 7.974 0.00 . 1 . . . . . 95 THR H . 51397 1 114 . 1 . 1 25 25 THR C C 13 174.199 0.00 . 1 . . . . . 95 THR C . 51397 1 115 . 1 . 1 25 25 THR CA C 13 61.956 0.03 . 1 . . . . . 95 THR CA . 51397 1 116 . 1 . 1 25 25 THR CB C 13 69.897 0.00 . 1 . . . . . 95 THR CB . 51397 1 117 . 1 . 1 25 25 THR N N 15 114.029 0.06 . 1 . . . . . 95 THR N . 51397 1 118 . 1 . 1 26 26 ARG H H 1 8.106 0.00 . 1 . . . . . 96 ARG H . 51397 1 119 . 1 . 1 26 26 ARG CA C 13 54.032 0.00 . 1 . . . . . 96 ARG CA . 51397 1 120 . 1 . 1 26 26 ARG N N 15 124.267 0.04 . 1 . . . . . 96 ARG N . 51397 1 121 . 1 . 1 27 27 PRO C C 13 176.794 0.00 . 1 . . . . . 97 PRO C . 51397 1 122 . 1 . 1 27 27 PRO CA C 13 63.176 0.02 . 1 . . . . . 97 PRO CA . 51397 1 123 . 1 . 1 27 27 PRO CB C 13 32.144 0.00 . 1 . . . . . 97 PRO CB . 51397 1 124 . 1 . 1 28 28 LYS H H 1 8.330 0.00 . 1 . . . . . 98 LYS H . 51397 1 125 . 1 . 1 28 28 LYS C C 13 176.533 0.00 . 1 . . . . . 98 LYS C . 51397 1 126 . 1 . 1 28 28 LYS CA C 13 56.456 0.01 . 1 . . . . . 98 LYS CA . 51397 1 127 . 1 . 1 28 28 LYS CB C 13 33.088 0.03 . 1 . . . . . 98 LYS CB . 51397 1 128 . 1 . 1 28 28 LYS N N 15 121.896 0.04 . 1 . . . . . 98 LYS N . 51397 1 129 . 1 . 1 29 29 LYS H H 1 8.200 0.00 . 1 . . . . . 99 LYS H . 51397 1 130 . 1 . 1 29 29 LYS C C 13 175.846 0.00 . 1 . . . . . 99 LYS C . 51397 1 131 . 1 . 1 29 29 LYS CA C 13 56.222 0.04 . 1 . . . . . 99 LYS CA . 51397 1 132 . 1 . 1 29 29 LYS CB C 13 33.266 0.03 . 1 . . . . . 99 LYS CB . 51397 1 133 . 1 . 1 29 29 LYS N N 15 122.669 0.05 . 1 . . . . . 99 LYS N . 51397 1 134 . 1 . 1 30 30 ALA H H 1 8.264 0.00 . 1 . . . . . 100 ALA H . 51397 1 135 . 1 . 1 30 30 ALA C C 13 177.049 0.00 . 1 . . . . . 100 ALA C . 51397 1 136 . 1 . 1 30 30 ALA CA C 13 52.178 0.01 . 1 . . . . . 100 ALA CA . 51397 1 137 . 1 . 1 30 30 ALA CB C 13 19.063 0.08 . 1 . . . . . 100 ALA CB . 51397 1 138 . 1 . 1 30 30 ALA N N 15 126.097 0.05 . 1 . . . . . 100 ALA N . 51397 1 139 . 1 . 1 31 31 ILE H H 1 8.048 0.00 . 1 . . . . . 101 ILE H . 51397 1 140 . 1 . 1 31 31 ILE CA C 13 58.516 0.02 . 1 . . . . . 101 ILE CA . 51397 1 141 . 1 . 1 31 31 ILE CB C 13 38.803 0.00 . 1 . . . . . 101 ILE CB . 51397 1 142 . 1 . 1 31 31 ILE N N 15 122.318 0.02 . 1 . . . . . 101 ILE N . 51397 1 143 . 1 . 1 33 33 PRO C C 13 177.613 0.00 . 1 . . . . . 103 PRO C . 51397 1 144 . 1 . 1 33 33 PRO CA C 13 63.412 0.03 . 1 . . . . . 103 PRO CA . 51397 1 145 . 1 . 1 34 34 GLY H H 1 8.445 0.01 . 1 . . . . . 104 GLY H . 51397 1 146 . 1 . 1 34 34 GLY C C 13 174.631 0.00 . 1 . . . . . 104 GLY C . 51397 1 147 . 1 . 1 34 34 GLY CA C 13 45.414 0.02 . 1 . . . . . 104 GLY CA . 51397 1 148 . 1 . 1 34 34 GLY N N 15 109.378 0.09 . 1 . . . . . 104 GLY N . 51397 1 149 . 1 . 1 35 35 CYS H H 1 8.154 0.04 . 1 . . . . . 105 CYS H . 51397 1 150 . 1 . 1 35 35 CYS C C 13 175.135 0.00 . 1 . . . . . 105 CYS C . 51397 1 151 . 1 . 1 35 35 CYS CA C 13 58.767 0.03 . 1 . . . . . 105 CYS CA . 51397 1 152 . 1 . 1 35 35 CYS CB C 13 28.223 0.00 . 1 . . . . . 105 CYS CB . 51397 1 153 . 1 . 1 35 35 CYS N N 15 118.391 0.04 . 1 . . . . . 105 CYS N . 51397 1 154 . 1 . 1 36 36 GLY H H 1 8.494 0.01 . 1 . . . . . 106 GLY H . 51397 1 155 . 1 . 1 36 36 GLY C C 13 173.502 0.00 . 1 . . . . . 106 GLY C . 51397 1 156 . 1 . 1 36 36 GLY CA C 13 45.400 0.02 . 1 . . . . . 106 GLY CA . 51397 1 157 . 1 . 1 36 36 GLY N N 15 111.022 0.23 . 1 . . . . . 106 GLY N . 51397 1 158 . 1 . 1 37 37 ASP H H 1 8.119 0.00 . 1 . . . . . 107 ASP H . 51397 1 159 . 1 . 1 37 37 ASP C C 13 175.906 0.00 . 1 . . . . . 107 ASP C . 51397 1 160 . 1 . 1 37 37 ASP CA C 13 54.316 0.10 . 1 . . . . . 107 ASP CA . 51397 1 161 . 1 . 1 37 37 ASP CB C 13 41.422 0.03 . 1 . . . . . 107 ASP CB . 51397 1 162 . 1 . 1 37 37 ASP N N 15 120.269 0.03 . 1 . . . . . 107 ASP N . 51397 1 163 . 1 . 1 38 38 GLU H H 1 8.250 0.01 . 1 . . . . . 108 GLU H . 51397 1 164 . 1 . 1 38 38 GLU CA C 13 56.969 0.00 . 1 . . . . . 108 GLU CA . 51397 1 165 . 1 . 1 38 38 GLU CB C 13 30.192 0.00 . 1 . . . . . 108 GLU CB . 51397 1 166 . 1 . 1 38 38 GLU N N 15 121.804 0.06 . 1 . . . . . 108 GLU N . 51397 1 167 . 1 . 1 39 39 PRO C C 13 176.861 0.00 . 1 . . . . . 109 PRO C . 51397 1 168 . 1 . 1 39 39 PRO CA C 13 63.203 0.03 . 1 . . . . . 109 PRO CA . 51397 1 169 . 1 . 1 39 39 PRO CB C 13 32.154 0.05 . 1 . . . . . 109 PRO CB . 51397 1 170 . 1 . 1 40 40 GLU H H 1 8.426 0.00 . 1 . . . . . 110 GLU H . 51397 1 171 . 1 . 1 40 40 GLU C C 13 176.452 0.00 . 1 . . . . . 110 GLU C . 51397 1 172 . 1 . 1 40 40 GLU CA C 13 56.553 0.02 . 1 . . . . . 110 GLU CA . 51397 1 173 . 1 . 1 40 40 GLU CB C 13 30.408 0.00 . 1 . . . . . 110 GLU CB . 51397 1 174 . 1 . 1 40 40 GLU N N 15 121.414 0.04 . 1 . . . . . 110 GLU N . 51397 1 175 . 1 . 1 41 41 GLU H H 1 8.347 0.00 . 1 . . . . . 111 GLU H . 51397 1 176 . 1 . 1 41 41 GLU C C 13 176.224 0.00 . 1 . . . . . 111 GLU C . 51397 1 177 . 1 . 1 41 41 GLU CA C 13 56.376 0.00 . 1 . . . . . 111 GLU CA . 51397 1 178 . 1 . 1 41 41 GLU CB C 13 30.598 0.00 . 1 . . . . . 111 GLU CB . 51397 1 179 . 1 . 1 41 41 GLU N N 15 122.121 0.02 . 1 . . . . . 111 GLU N . 51397 1 180 . 1 . 1 42 42 GLU H H 1 8.396 0.00 . 1 . . . . . 112 GLU H . 51397 1 181 . 1 . 1 42 42 GLU C C 13 175.989 0.00 . 1 . . . . . 112 GLU C . 51397 1 182 . 1 . 1 42 42 GLU CA C 13 56.431 0.04 . 1 . . . . . 112 GLU CA . 51397 1 183 . 1 . 1 42 42 GLU CB C 13 30.531 0.04 . 1 . . . . . 112 GLU CB . 51397 1 184 . 1 . 1 42 42 GLU N N 15 122.323 0.06 . 1 . . . . . 112 GLU N . 51397 1 185 . 1 . 1 43 43 ASP H H 1 8.358 0.00 . 1 . . . . . 113 ASP H . 51397 1 186 . 1 . 1 43 43 ASP C C 13 175.902 0.00 . 1 . . . . . 113 ASP C . 51397 1 187 . 1 . 1 43 43 ASP CA C 13 54.292 0.04 . 1 . . . . . 113 ASP CA . 51397 1 188 . 1 . 1 43 43 ASP CB C 13 41.470 0.03 . 1 . . . . . 113 ASP CB . 51397 1 189 . 1 . 1 43 43 ASP N N 15 122.161 0.04 . 1 . . . . . 113 ASP N . 51397 1 190 . 1 . 1 44 44 GLU H H 1 8.328 0.01 . 1 . . . . . 114 GLU H . 51397 1 191 . 1 . 1 44 44 GLU C C 13 176.156 0.00 . 1 . . . . . 114 GLU C . 51397 1 192 . 1 . 1 44 44 GLU CA C 13 56.406 0.02 . 1 . . . . . 114 GLU CA . 51397 1 193 . 1 . 1 44 44 GLU CB C 13 30.998 0.00 . 1 . . . . . 114 GLU CB . 51397 1 194 . 1 . 1 44 44 GLU N N 15 121.799 0.06 . 1 . . . . . 114 GLU N . 51397 1 195 . 1 . 1 45 45 SER H H 1 8.788 0.00 . 1 . . . . . 115 SER H . 51397 1 196 . 1 . 1 45 45 SER C C 13 176.114 0.00 . 1 . . . . . 115 SER C . 51397 1 197 . 1 . 1 45 45 SER CA C 13 57.246 0.09 . 1 . . . . . 115 SER CA . 51397 1 198 . 1 . 1 45 45 SER CB C 13 65.213 0.00 . 1 . . . . . 115 SER CB . 51397 1 199 . 1 . 1 45 45 SER N N 15 118.565 0.04 . 1 . . . . . 115 SER N . 51397 1 200 . 1 . 1 46 46 ILE H H 1 9.201 0.00 . 1 . . . . . 116 ILE H . 51397 1 201 . 1 . 1 46 46 ILE C C 13 177.380 0.00 . 1 . . . . . 116 ILE C . 51397 1 202 . 1 . 1 46 46 ILE CA C 13 63.944 0.05 . 1 . . . . . 116 ILE CA . 51397 1 203 . 1 . 1 46 46 ILE CB C 13 37.840 0.00 . 1 . . . . . 116 ILE CB . 51397 1 204 . 1 . 1 46 46 ILE N N 15 125.042 0.04 . 1 . . . . . 116 ILE N . 51397 1 205 . 1 . 1 47 47 LEU H H 1 8.224 0.01 . 1 . . . . . 117 LEU H . 51397 1 206 . 1 . 1 47 47 LEU C C 13 177.785 0.00 . 1 . . . . . 117 LEU C . 51397 1 207 . 1 . 1 47 47 LEU CA C 13 58.138 0.03 . 1 . . . . . 117 LEU CA . 51397 1 208 . 1 . 1 47 47 LEU CB C 13 41.358 0.03 . 1 . . . . . 117 LEU CB . 51397 1 209 . 1 . 1 47 47 LEU N N 15 120.451 0.05 . 1 . . . . . 117 LEU N . 51397 1 210 . 1 . 1 48 48 ASP H H 1 7.566 0.00 . 1 . . . . . 118 ASP H . 51397 1 211 . 1 . 1 48 48 ASP C C 13 178.667 0.00 . 1 . . . . . 118 ASP C . 51397 1 212 . 1 . 1 48 48 ASP CA C 13 57.682 0.03 . 1 . . . . . 118 ASP CA . 51397 1 213 . 1 . 1 48 48 ASP CB C 13 40.779 0.08 . 1 . . . . . 118 ASP CB . 51397 1 214 . 1 . 1 48 48 ASP N N 15 117.045 0.04 . 1 . . . . . 118 ASP N . 51397 1 215 . 1 . 1 49 49 THR H H 1 7.770 0.00 . 1 . . . . . 119 THR H . 51397 1 216 . 1 . 1 49 49 THR C C 13 175.410 0.00 . 1 . . . . . 119 THR C . 51397 1 217 . 1 . 1 49 49 THR CA C 13 66.678 0.09 . 1 . . . . . 119 THR CA . 51397 1 218 . 1 . 1 49 49 THR CB C 13 68.882 0.05 . 1 . . . . . 119 THR CB . 51397 1 219 . 1 . 1 49 49 THR N N 15 115.903 0.04 . 1 . . . . . 119 THR N . 51397 1 220 . 1 . 1 50 50 VAL H H 1 7.918 0.00 . 1 . . . . . 120 VAL H . 51397 1 221 . 1 . 1 50 50 VAL C C 13 177.684 0.00 . 1 . . . . . 120 VAL C . 51397 1 222 . 1 . 1 50 50 VAL CA C 13 66.620 0.08 . 1 . . . . . 120 VAL CA . 51397 1 223 . 1 . 1 50 50 VAL CB C 13 31.680 0.00 . 1 . . . . . 120 VAL CB . 51397 1 224 . 1 . 1 50 50 VAL N N 15 118.094 0.04 . 1 . . . . . 120 VAL N . 51397 1 225 . 1 . 1 51 51 ILE H H 1 7.992 0.00 . 1 . . . . . 121 ILE H . 51397 1 226 . 1 . 1 51 51 ILE C C 13 177.464 0.00 . 1 . . . . . 121 ILE C . 51397 1 227 . 1 . 1 51 51 ILE CA C 13 64.912 0.03 . 1 . . . . . 121 ILE CA . 51397 1 228 . 1 . 1 51 51 ILE CB C 13 37.839 0.03 . 1 . . . . . 121 ILE CB . 51397 1 229 . 1 . 1 51 51 ILE N N 15 116.794 0.03 . 1 . . . . . 121 ILE N . 51397 1 230 . 1 . 1 52 52 LYS H H 1 7.268 0.00 . 1 . . . . . 122 LYS H . 51397 1 231 . 1 . 1 52 52 LYS C C 13 177.320 0.00 . 1 . . . . . 122 LYS C . 51397 1 232 . 1 . 1 52 52 LYS CA C 13 58.526 0.00 . 1 . . . . . 122 LYS CA . 51397 1 233 . 1 . 1 52 52 LYS CB C 13 32.114 0.02 . 1 . . . . . 122 LYS CB . 51397 1 234 . 1 . 1 52 52 LYS N N 15 116.528 0.05 . 1 . . . . . 122 LYS N . 51397 1 235 . 1 . 1 53 53 TYR H H 1 7.683 0.00 . 1 . . . . . 123 TYR H . 51397 1 236 . 1 . 1 53 53 TYR C C 13 175.258 0.00 . 1 . . . . . 123 TYR C . 51397 1 237 . 1 . 1 53 53 TYR CA C 13 59.173 0.03 . 1 . . . . . 123 TYR CA . 51397 1 238 . 1 . 1 53 53 TYR CB C 13 39.500 0.05 . 1 . . . . . 123 TYR CB . 51397 1 239 . 1 . 1 53 53 TYR N N 15 116.624 0.03 . 1 . . . . . 123 TYR N . 51397 1 240 . 1 . 1 54 54 LEU H H 1 7.459 0.00 . 1 . . . . . 124 LEU H . 51397 1 241 . 1 . 1 54 54 LEU CA C 13 53.231 0.01 . 1 . . . . . 124 LEU CA . 51397 1 242 . 1 . 1 54 54 LEU CB C 13 41.321 0.00 . 1 . . . . . 124 LEU CB . 51397 1 243 . 1 . 1 54 54 LEU N N 15 117.466 0.04 . 1 . . . . . 124 LEU N . 51397 1 244 . 1 . 1 55 55 PRO C C 13 177.329 0.00 . 1 . . . . . 125 PRO C . 51397 1 245 . 1 . 1 55 55 PRO CA C 13 63.071 0.00 . 1 . . . . . 125 PRO CA . 51397 1 246 . 1 . 1 56 56 GLY H H 1 9.205 0.00 . 1 . . . . . 126 GLY H . 51397 1 247 . 1 . 1 56 56 GLY CA C 13 48.684 0.09 . 1 . . . . . 126 GLY CA . 51397 1 248 . 1 . 1 56 56 GLY N N 15 111.831 0.05 . 1 . . . . . 126 GLY N . 51397 1 249 . 1 . 1 57 57 PRO C C 13 178.402 0.00 . 1 . . . . . 127 PRO C . 51397 1 250 . 1 . 1 57 57 PRO CA C 13 65.273 0.05 . 1 . . . . . 127 PRO CA . 51397 1 251 . 1 . 1 57 57 PRO CB C 13 32.279 0.00 . 1 . . . . . 127 PRO CB . 51397 1 252 . 1 . 1 58 58 LEU H H 1 7.391 0.00 . 1 . . . . . 128 LEU H . 51397 1 253 . 1 . 1 58 58 LEU C C 13 178.134 0.00 . 1 . . . . . 128 LEU C . 51397 1 254 . 1 . 1 58 58 LEU CA C 13 56.675 0.04 . 1 . . . . . 128 LEU CA . 51397 1 255 . 1 . 1 58 58 LEU CB C 13 42.647 0.00 . 1 . . . . . 128 LEU CB . 51397 1 256 . 1 . 1 58 58 LEU N N 15 113.579 0.05 . 1 . . . . . 128 LEU N . 51397 1 257 . 1 . 1 59 59 GLN H H 1 7.940 0.00 . 1 . . . . . 129 GLN H . 51397 1 258 . 1 . 1 59 59 GLN C C 13 178.971 0.00 . 1 . . . . . 129 GLN C . 51397 1 259 . 1 . 1 59 59 GLN CA C 13 60.218 0.04 . 1 . . . . . 129 GLN CA . 51397 1 260 . 1 . 1 59 59 GLN CB C 13 28.314 0.02 . 1 . . . . . 129 GLN CB . 51397 1 261 . 1 . 1 59 59 GLN N N 15 118.266 0.04 . 1 . . . . . 129 GLN N . 51397 1 262 . 1 . 1 60 60 ASP H H 1 8.108 0.00 . 1 . . . . . 130 ASP H . 51397 1 263 . 1 . 1 60 60 ASP C C 13 177.826 0.00 . 1 . . . . . 130 ASP C . 51397 1 264 . 1 . 1 60 60 ASP CA C 13 56.706 0.03 . 1 . . . . . 130 ASP CA . 51397 1 265 . 1 . 1 60 60 ASP CB C 13 40.649 0.06 . 1 . . . . . 130 ASP CB . 51397 1 266 . 1 . 1 60 60 ASP N N 15 116.547 0.04 . 1 . . . . . 130 ASP N . 51397 1 267 . 1 . 1 61 61 MET H H 1 7.362 0.00 . 1 . . . . . 131 MET H . 51397 1 268 . 1 . 1 61 61 MET C C 13 176.180 0.00 . 1 . . . . . 131 MET C . 51397 1 269 . 1 . 1 61 61 MET CA C 13 57.877 0.02 . 1 . . . . . 131 MET CA . 51397 1 270 . 1 . 1 61 61 MET CB C 13 32.642 0.05 . 1 . . . . . 131 MET CB . 51397 1 271 . 1 . 1 61 61 MET N N 15 116.825 0.04 . 1 . . . . . 131 MET N . 51397 1 272 . 1 . 1 62 62 PHE H H 1 7.479 0.00 . 1 . . . . . 132 PHE H . 51397 1 273 . 1 . 1 62 62 PHE C C 13 175.196 0.00 . 1 . . . . . 132 PHE C . 51397 1 274 . 1 . 1 62 62 PHE CA C 13 58.071 0.02 . 1 . . . . . 132 PHE CA . 51397 1 275 . 1 . 1 62 62 PHE CB C 13 40.087 0.02 . 1 . . . . . 132 PHE CB . 51397 1 276 . 1 . 1 62 62 PHE N N 15 114.564 0.04 . 1 . . . . . 132 PHE N . 51397 1 277 . 1 . 1 63 63 LYS H H 1 7.494 0.00 . 1 . . . . . 133 LYS H . 51397 1 278 . 1 . 1 63 63 LYS C C 13 175.356 0.00 . 1 . . . . . 133 LYS C . 51397 1 279 . 1 . 1 63 63 LYS CA C 13 56.820 0.03 . 1 . . . . . 133 LYS CA . 51397 1 280 . 1 . 1 63 63 LYS CB C 13 33.361 0.00 . 1 . . . . . 133 LYS CB . 51397 1 281 . 1 . 1 63 63 LYS N N 15 120.125 0.04 . 1 . . . . . 133 LYS N . 51397 1 282 . 1 . 1 64 64 LYS H H 1 7.858 0.00 . 1 . . . . . 134 LYS H . 51397 1 283 . 1 . 1 64 64 LYS CA C 13 57.892 0.01 . 1 . . . . . 134 LYS CA . 51397 1 284 . 1 . 1 64 64 LYS CB C 13 33.630 0.00 . 1 . . . . . 134 LYS CB . 51397 1 285 . 1 . 1 64 64 LYS N N 15 127.402 0.04 . 1 . . . . . 134 LYS N . 51397 1 stop_ save_