################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26997 _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 ; Origin xeasy file /nmr/data/Leger/4E-BP_assignment_deposition/complex_with_m4E/chemical_shifts.prot ; _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 HNCO 1 $sample_1 isotropic 26997 1 2 HNCA 1 $sample_1 isotropic 26997 1 3 HSQC 1 $sample_1 isotropic 26997 1 4 HNCACO 1 $sample_1 isotropic 26997 1 5 HNCOCA 1 $sample_1 isotropic 26997 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 $XEASY . . 26997 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.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 4 4 SER H H 1 8.132 . . 1 . . 58 . . 44 SER H . 26997 1 2 . 1 1 4 4 SER C C 13 174.374 . . 1 . . 60 . . 44 SER C . 26997 1 3 . 1 1 4 4 SER CA C 13 57.657 . . 1 . . 127 . . 44 SER CA . 26997 1 4 . 1 1 4 4 SER N N 15 117.173 . . 1 . . 59 . . 44 SER N . 26997 1 5 . 1 1 5 5 THR H H 1 8.156 . . 1 . . 37 . . 45 THR H . 26997 1 6 . 1 1 5 5 THR C C 13 174.450 . . 1 . . 39 . . 45 THR C . 26997 1 7 . 1 1 5 5 THR CA C 13 61.285 . . 1 . . 121 . . 45 THR CA . 26997 1 8 . 1 1 5 5 THR N N 15 115.523 . . 1 . . 38 . . 45 THR N . 26997 1 9 . 1 1 6 6 THR H H 1 8.139 . . 1 . . 52 . . 46 THR H . 26997 1 10 . 1 1 6 6 THR C C 13 172.934 . . 1 . . 54 . . 46 THR C . 26997 1 11 . 1 1 6 6 THR CA C 13 59.411 . . 1 . . 125 . . 46 THR CA . 26997 1 12 . 1 1 6 6 THR N N 15 118.613 . . 1 . . 53 . . 46 THR N . 26997 1 13 . 1 1 8 8 GLY H H 1 8.435 . . 1 . . 97 . . 48 GLY H . 26997 1 14 . 1 1 8 8 GLY C C 13 174.747 . . 1 . . 99 . . 48 GLY C . 26997 1 15 . 1 1 8 8 GLY CA C 13 44.880 . . 1 . . 144 . . 48 GLY CA . 26997 1 16 . 1 1 8 8 GLY N N 15 109.550 . . 1 . . 98 . . 48 GLY N . 26997 1 17 . 1 1 9 9 GLY H H 1 8.173 . . 1 . . 106 . . 49 GLY H . 26997 1 18 . 1 1 9 9 GLY C C 13 174.219 . . 1 . . 108 . . 49 GLY C . 26997 1 19 . 1 1 9 9 GLY CA C 13 44.776 . . 1 . . 142 . . 49 GLY CA . 26997 1 20 . 1 1 9 9 GLY N N 15 108.804 . . 1 . . 107 . . 49 GLY N . 26997 1 21 . 1 1 10 10 THR H H 1 7.977 . . 1 . . 43 . . 50 THR H . 26997 1 22 . 1 1 10 10 THR C C 13 173.995 . . 1 . . 45 . . 50 THR C . 26997 1 23 . 1 1 10 10 THR CA C 13 61.281 . . 1 . . 122 . . 50 THR CA . 26997 1 24 . 1 1 10 10 THR N N 15 113.819 . . 1 . . 44 . . 50 THR N . 26997 1 25 . 1 1 11 11 ARG H H 1 8.106 . . 1 . . 16 . . 51 ARG H . 26997 1 26 . 1 1 11 11 ARG C C 13 175.723 . . 1 . . 18 . . 51 ARG C . 26997 1 27 . 1 1 11 11 ARG CA C 13 55.429 . . 1 . . 114 . . 51 ARG CA . 26997 1 28 . 1 1 11 11 ARG N N 15 124.666 . . 1 . . 17 . . 51 ARG N . 26997 1 29 . 1 1 12 12 ILE H H 1 8.376 . . 1 . . 13 . . 52 ILE H . 26997 1 30 . 1 1 12 12 ILE C C 13 173.779 . . 1 . . 15 . . 52 ILE C . 26997 1 31 . 1 1 12 12 ILE CA C 13 61.881 . . 1 . . 113 . . 52 ILE CA . 26997 1 32 . 1 1 12 12 ILE N N 15 127.129 . . 1 . . 14 . . 52 ILE N . 26997 1 33 . 1 1 13 13 ILE H H 1 7.226 . . 1 . . 10 . . 53 ILE H . 26997 1 34 . 1 1 13 13 ILE C C 13 176.023 . . 1 . . 12 . . 53 ILE C . 26997 1 35 . 1 1 13 13 ILE CA C 13 58.498 . . 1 . . 112 . . 53 ILE CA . 26997 1 36 . 1 1 13 13 ILE N N 15 127.448 . . 1 . . 11 . . 53 ILE N . 26997 1 37 . 1 1 14 14 TYR H H 1 8.444 . . 1 . . 28 . . 54 TYR H . 26997 1 38 . 1 1 14 14 TYR C C 13 175.449 . . 1 . . 30 . . 54 TYR C . 26997 1 39 . 1 1 14 14 TYR CA C 13 55.413 . . 1 . . 118 . . 54 TYR CA . 26997 1 40 . 1 1 14 14 TYR N N 15 121.170 . . 1 . . 29 . . 54 TYR N . 26997 1 41 . 1 1 15 15 ASP H H 1 8.689 . . 1 . . 19 . . 55 ASP H . 26997 1 42 . 1 1 15 15 ASP C C 13 175.346 . . 1 . . 21 . . 55 ASP C . 26997 1 43 . 1 1 15 15 ASP CA C 13 52.143 . . 1 . . 115 . . 55 ASP CA . 26997 1 44 . 1 1 15 15 ASP N N 15 122.423 . . 1 . . 20 . . 55 ASP N . 26997 1 45 . 1 1 16 16 ARG H H 1 8.637 . . 1 . . 25 . . 56 ARG H . 26997 1 46 . 1 1 16 16 ARG C C 13 177.304 . . 1 . . 27 . . 56 ARG C . 26997 1 47 . 1 1 16 16 ARG CA C 13 59.760 . . 1 . . 117 . . 56 ARG CA . 26997 1 48 . 1 1 16 16 ARG N N 15 121.205 . . 1 . . 26 . . 56 ARG N . 26997 1 49 . 1 1 17 17 LYS H H 1 8.143 . . 1 . . 55 . . 57 LYS H . 26997 1 50 . 1 1 17 17 LYS C C 13 178.886 . . 1 . . 57 . . 57 LYS C . 26997 1 51 . 1 1 17 17 LYS CA C 13 59.414 . . 1 . . 126 . . 57 LYS CA . 26997 1 52 . 1 1 17 17 LYS N N 15 118.243 . . 1 . . 56 . . 57 LYS N . 26997 1 53 . 1 1 18 18 PHE H H 1 7.959 . . 1 . . 34 . . 58 PHE H . 26997 1 54 . 1 1 18 18 PHE C C 13 178.434 . . 1 . . 36 . . 58 PHE C . 26997 1 55 . 1 1 18 18 PHE CA C 13 60.935 . . 1 . . 120 . . 58 PHE CA . 26997 1 56 . 1 1 18 18 PHE N N 15 120.453 . . 1 . . 35 . . 58 PHE N . 26997 1 57 . 1 1 19 19 LEU H H 1 7.930 . . 1 . . 91 . . 59 LEU H . 26997 1 58 . 1 1 19 19 LEU C C 13 180.458 . . 1 . . 93 . . 59 LEU C . 26997 1 59 . 1 1 19 19 LEU CA C 13 58.333 . . 1 . . 138 . . 59 LEU CA . 26997 1 60 . 1 1 19 19 LEU N N 15 116.784 . . 1 . . 92 . . 59 LEU N . 26997 1 61 . 1 1 20 20 MET H H 1 8.395 . . 1 . . 85 . . 60 MET H . 26997 1 62 . 1 1 20 20 MET C C 13 179.925 . . 1 . . 87 . . 60 MET C . 26997 1 63 . 1 1 20 20 MET CA C 13 56.954 . . 1 . . 137 . . 60 MET CA . 26997 1 64 . 1 1 20 20 MET N N 15 116.193 . . 1 . . 86 . . 60 MET N . 26997 1 65 . 1 1 21 21 GLU H H 1 7.993 . . 1 . . 31 . . 61 GLU H . 26997 1 66 . 1 1 21 21 GLU C C 13 179.330 . . 1 . . 33 . . 61 GLU C . 26997 1 67 . 1 1 21 21 GLU CA C 13 58.470 . . 1 . . 119 . . 61 GLU CA . 26997 1 68 . 1 1 21 21 GLU N N 15 122.503 . . 1 . . 32 . . 61 GLU N . 26997 1 69 . 1 1 22 22 CYS H H 1 7.121 . . 1 . . 82 . . 62 CYS H . 26997 1 70 . 1 1 22 22 CYS C C 13 174.752 . . 1 . . 84 . . 62 CYS C . 26997 1 71 . 1 1 22 22 CYS CA C 13 61.286 . . 1 . . 135 . . 62 CYS CA . 26997 1 72 . 1 1 22 22 CYS N N 15 114.808 . . 1 . . 83 . . 62 CYS N . 26997 1 73 . 1 1 23 23 ARG H H 1 6.697 . . 1 . . 4 . . 63 ARG H . 26997 1 74 . 1 1 23 23 ARG C C 13 175.189 . . 1 . . 6 . . 63 ARG C . 26997 1 75 . 1 1 23 23 ARG CA C 13 57.782 . . 1 . . 109 . . 63 ARG CA . 26997 1 76 . 1 1 23 23 ARG N N 15 118.477 . . 1 . . 5 . . 63 ARG N . 26997 1 77 . 1 1 24 24 ASN H H 1 7.002 . . 1 . . 94 . . 64 ASN H . 26997 1 78 . 1 1 24 24 ASN C C 13 174.896 . . 1 . . 96 . . 64 ASN C . 26997 1 79 . 1 1 24 24 ASN CA C 13 52.494 . . 1 . . 139 . . 64 ASN CA . 26997 1 80 . 1 1 24 24 ASN N N 15 112.134 . . 1 . . 95 . . 64 ASN N . 26997 1 81 . 1 1 25 25 SER H H 1 7.078 . . 1 . . 76 . . 65 SER H . 26997 1 82 . 1 1 25 25 SER C C 13 175.208 . . 1 . . 78 . . 65 SER C . 26997 1 83 . 1 1 25 25 SER CA C 13 55.778 . . 1 . . 133 . . 65 SER CA . 26997 1 84 . 1 1 25 25 SER N N 15 115.617 . . 1 . . 77 . . 65 SER N . 26997 1 85 . 1 1 27 27 VAL H H 1 7.405 . . 1 . . 79 . . 67 VAL H . 26997 1 86 . 1 1 27 27 VAL C C 13 176.959 . . 1 . . 81 . . 67 VAL C . 26997 1 87 . 1 1 27 27 VAL CA C 13 63.522 . . 1 . . 134 . . 67 VAL CA . 26997 1 88 . 1 1 27 27 VAL N N 15 115.034 . . 1 . . 80 . . 67 VAL N . 26997 1 89 . 1 1 28 28 THR H H 1 7.675 . . 1 . . 103 . . 68 THR H . 26997 1 90 . 1 1 28 28 THR C C 13 174.929 . . 1 . . 105 . . 68 THR C . 26997 1 91 . 1 1 28 28 THR CA C 13 63.038 . . 1 . . 141 . . 68 THR CA . 26997 1 92 . 1 1 28 28 THR N N 15 107.942 . . 1 . . 104 . . 68 THR N . 26997 1 93 . 1 1 29 29 LYS H H 1 7.090 . . 1 . . 1 . . 69 LYS H . 26997 1 94 . 1 1 29 29 LYS C C 13 175.900 . . 1 . . 3 . . 69 LYS C . 26997 1 95 . 1 1 29 29 LYS CA C 13 55.780 . . 1 . . 110 . . 69 LYS CA . 26997 1 96 . 1 1 29 29 LYS N N 15 118.083 . . 1 . . 2 . . 69 LYS N . 26997 1 97 . 1 1 30 30 THR H H 1 7.198 . . 1 . . 73 . . 70 THR H . 26997 1 98 . 1 1 30 30 THR C C 13 171.230 . . 1 . . 75 . . 70 THR C . 26997 1 99 . 1 1 30 30 THR CA C 13 58.619 . . 1 . . 132 . . 70 THR CA . 26997 1 100 . 1 1 30 30 THR N N 15 115.929 . . 1 . . 74 . . 70 THR N . 26997 1 101 . 1 1 33 33 ARG H H 1 8.485 . . 1 . . 22 . . 73 ARG H . 26997 1 102 . 1 1 33 33 ARG C C 13 176.561 . . 1 . . 24 . . 73 ARG C . 26997 1 103 . 1 1 33 33 ARG CA C 13 56.857 . . 1 . . 116 . . 73 ARG CA . 26997 1 104 . 1 1 33 33 ARG N N 15 122.635 . . 1 . . 23 . . 73 ARG N . 26997 1 105 . 1 1 34 34 ASP H H 1 8.417 . . 1 . . 88 . . 74 ASP H . 26997 1 106 . 1 1 34 34 ASP C C 13 175.499 . . 1 . . 90 . . 74 ASP C . 26997 1 107 . 1 1 34 34 ASP CA C 13 53.549 . . 1 . . 136 . . 74 ASP CA . 26997 1 108 . 1 1 34 34 ASP N N 15 116.634 . . 1 . . 89 . . 74 ASP N . 26997 1 109 . 1 1 35 35 LEU H H 1 7.266 . . 1 . . 7 . . 75 LEU H . 26997 1 110 . 1 1 35 35 LEU C C 13 175.275 . . 1 . . 9 . . 75 LEU C . 26997 1 111 . 1 1 35 35 LEU CA C 13 52.968 . . 1 . . 111 . . 75 LEU CA . 26997 1 112 . 1 1 35 35 LEU N N 15 121.449 . . 1 . . 8 . . 75 LEU N . 26997 1 113 . 1 1 37 37 THR H H 1 8.690 . . 1 . . 46 . . 77 THR H . 26997 1 114 . 1 1 37 37 THR C C 13 173.714 . . 1 . . 48 . . 77 THR C . 26997 1 115 . 1 1 37 37 THR CA C 13 61.990 . . 1 . . 123 . . 77 THR CA . 26997 1 116 . 1 1 37 37 THR N N 15 117.842 . . 1 . . 47 . . 77 THR N . 26997 1 117 . 1 1 38 38 ILE H H 1 7.956 . . 1 . . 67 . . 78 ILE H . 26997 1 118 . 1 1 38 38 ILE C C 13 173.028 . . 1 . . 69 . . 78 ILE C . 26997 1 119 . 1 1 38 38 ILE CA C 13 57.539 . . 1 . . 130 . . 78 ILE CA . 26997 1 120 . 1 1 38 38 ILE N N 15 127.848 . . 1 . . 68 . . 78 ILE N . 26997 1 121 . 1 1 40 40 GLY H H 1 8.416 . . 1 . . 40 . . 80 GLY H . 26997 1 122 . 1 1 40 40 GLY C C 13 173.050 . . 1 . . 42 . . 80 GLY C . 26997 1 123 . 1 1 40 40 GLY CA C 13 44.998 . . 1 . . 143 . . 80 GLY CA . 26997 1 124 . 1 1 40 40 GLY N N 15 112.897 . . 1 . . 41 . . 80 GLY N . 26997 1 125 . 1 1 41 41 VAL H H 1 7.983 . . 1 . . 61 . . 81 VAL H . 26997 1 126 . 1 1 41 41 VAL C C 13 175.952 . . 1 . . 63 . . 81 VAL C . 26997 1 127 . 1 1 41 41 VAL CA C 13 63.869 . . 1 . . 128 . . 81 VAL CA . 26997 1 128 . 1 1 41 41 VAL N N 15 117.822 . . 1 . . 62 . . 81 VAL N . 26997 1 129 . 1 1 42 42 THR H H 1 8.326 . . 1 . . 100 . . 82 THR H . 26997 1 130 . 1 1 42 42 THR C C 13 173.557 . . 1 . . 102 . . 82 THR C . 26997 1 131 . 1 1 42 42 THR CA C 13 60.103 . . 1 . . 140 . . 82 THR CA . 26997 1 132 . 1 1 42 42 THR N N 15 106.390 . . 1 . . 101 . . 82 THR N . 26997 1 133 . 1 1 43 43 SER H H 1 7.742 . . 1 . . 64 . . 83 SER H . 26997 1 134 . 1 1 43 43 SER C C 13 172.051 . . 1 . . 66 . . 83 SER C . 26997 1 135 . 1 1 43 43 SER CA C 13 56.010 . . 1 . . 129 . . 83 SER CA . 26997 1 136 . 1 1 43 43 SER N N 15 117.005 . . 1 . . 65 . . 83 SER N . 26997 1 137 . 1 1 45 45 SER H H 1 8.315 . . 1 . . 49 . . 85 SER H . 26997 1 138 . 1 1 45 45 SER C C 13 173.321 . . 1 . . 51 . . 85 SER C . 26997 1 139 . 1 1 45 45 SER CA C 13 57.656 . . 1 . . 124 . . 85 SER CA . 26997 1 140 . 1 1 45 45 SER N N 15 118.010 . . 1 . . 50 . . 85 SER N . 26997 1 141 . 1 1 46 46 SER H H 1 7.913 . . 1 . . 70 . . 86 SER H . 26997 1 142 . 1 1 46 46 SER C C 13 180.824 . . 1 . . 72 . . 86 SER C . 26997 1 143 . 1 1 46 46 SER CA C 13 55.661 . . 1 . . 131 . . 86 SER CA . 26997 1 144 . 1 1 46 46 SER N N 15 127.376 . . 1 . . 71 . . 86 SER N . 26997 1 stop_ save_