################################### # 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 51786 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Rec114 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 'These are the assignments for one Rec114 chain (Rec114 A) in the 2:1 Rec114:Mei4 trimeric complex.' _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' . . . 51786 1 2 '3D CBCA(CO)NH' . . . 51786 1 3 '3D HNCACB' . . . 51786 1 4 '3D HNCO' . . . 51786 1 5 '3D HNCACO' . . . 51786 1 6 '3D HNCA' . . . 51786 1 7 '3D HNN' . . . 51786 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 . . 51786 1 3 $software_3 . . 51786 1 4 $software_4 . . 51786 1 5 $software_5 . . 51786 1 6 $software_6 . . 51786 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 . 2 . 2 2 2 ASN C C 13 174.931 0.01 . . . . . . . 388 ASN C . 51786 1 2 . 2 . 2 2 2 ASN CA C 13 53.208 0.00 . . . . . . . 388 ASN CA . 51786 1 3 . 2 . 2 2 2 ASN CB C 13 38.928 0.00 . . . . . . . 388 ASN CB . 51786 1 4 . 2 . 2 3 3 VAL H H 1 8.333 0.00 . . . . . . . 389 VAL H . 51786 1 5 . 2 . 2 3 3 VAL C C 13 175.617 0.01 . . . . . . . 389 VAL C . 51786 1 6 . 2 . 2 3 3 VAL CA C 13 62.449 0.01 . . . . . . . 389 VAL CA . 51786 1 7 . 2 . 2 3 3 VAL CB C 13 32.628 0.04 . . . . . . . 389 VAL CB . 51786 1 8 . 2 . 2 3 3 VAL N N 15 121.196 0.01 . . . . . . . 389 VAL N . 51786 1 9 . 2 . 2 4 4 ASN H H 1 8.498 0.00 . . . . . . . 390 ASN H . 51786 1 10 . 2 . 2 4 4 ASN C C 13 175.445 0.03 . . . . . . . 390 ASN C . 51786 1 11 . 2 . 2 4 4 ASN CA C 13 53.224 0.05 . . . . . . . 390 ASN CA . 51786 1 12 . 2 . 2 4 4 ASN CB C 13 38.742 0.01 . . . . . . . 390 ASN CB . 51786 1 13 . 2 . 2 4 4 ASN N N 15 122.087 0.01 . . . . . . . 390 ASN N . 51786 1 14 . 2 . 2 5 5 ARG H H 1 8.373 0.00 . . . . . . . 391 ARG H . 51786 1 15 . 2 . 2 5 5 ARG C C 13 176.145 0.01 . . . . . . . 391 ARG C . 51786 1 16 . 2 . 2 5 5 ARG CA C 13 56.523 0.03 . . . . . . . 391 ARG CA . 51786 1 17 . 2 . 2 5 5 ARG CB C 13 30.428 0.01 . . . . . . . 391 ARG CB . 51786 1 18 . 2 . 2 5 5 ARG N N 15 122.517 0.03 . . . . . . . 391 ARG N . 51786 1 19 . 2 . 2 6 6 ASN H H 1 8.426 0.00 . . . . . . . 392 ASN H . 51786 1 20 . 2 . 2 6 6 ASN C C 13 175.188 0.00 . . . . . . . 392 ASN C . 51786 1 21 . 2 . 2 6 6 ASN CA C 13 53.547 0.05 . . . . . . . 392 ASN CA . 51786 1 22 . 2 . 2 6 6 ASN CB C 13 38.741 0.00 . . . . . . . 392 ASN CB . 51786 1 23 . 2 . 2 6 6 ASN N N 15 119.261 0.00 . . . . . . . 392 ASN N . 51786 1 24 . 2 . 2 7 7 ALA H H 1 8.199 0.00 . . . . . . . 393 ALA H . 51786 1 25 . 2 . 2 7 7 ALA C C 13 177.723 0.01 . . . . . . . 393 ALA C . 51786 1 26 . 2 . 2 7 7 ALA CA C 13 52.769 0.01 . . . . . . . 393 ALA CA . 51786 1 27 . 2 . 2 7 7 ALA CB C 13 19.260 0.01 . . . . . . . 393 ALA CB . 51786 1 28 . 2 . 2 7 7 ALA N N 15 124.468 0.02 . . . . . . . 393 ALA N . 51786 1 29 . 2 . 2 8 8 SER H H 1 8.206 0.00 . . . . . . . 394 SER H . 51786 1 30 . 2 . 2 8 8 SER C C 13 174.668 0.02 . . . . . . . 394 SER C . 51786 1 31 . 2 . 2 8 8 SER CA C 13 58.603 0.04 . . . . . . . 394 SER CA . 51786 1 32 . 2 . 2 8 8 SER CB C 13 63.820 0.01 . . . . . . . 394 SER CB . 51786 1 33 . 2 . 2 8 8 SER N N 15 114.940 0.00 . . . . . . . 394 SER N . 51786 1 34 . 2 . 2 9 9 ARG H H 1 8.099 0.00 . . . . . . . 395 ARG H . 51786 1 35 . 2 . 2 9 9 ARG C C 13 176.130 0.01 . . . . . . . 395 ARG C . 51786 1 36 . 2 . 2 9 9 ARG CA C 13 56.124 0.03 . . . . . . . 395 ARG CA . 51786 1 37 . 2 . 2 9 9 ARG CB C 13 29.675 0.02 . . . . . . . 395 ARG CB . 51786 1 38 . 2 . 2 9 9 ARG N N 15 122.832 0.01 . . . . . . . 395 ARG N . 51786 1 39 . 2 . 2 10 10 LYS H H 1 8.088 0.00 . . . . . . . 396 LYS H . 51786 1 40 . 2 . 2 10 10 LYS C C 13 176.724 0.01 . . . . . . . 396 LYS C . 51786 1 41 . 2 . 2 10 10 LYS CA C 13 56.798 0.00 . . . . . . . 396 LYS CA . 51786 1 42 . 2 . 2 10 10 LYS CB C 13 33.545 0.00 . . . . . . . 396 LYS CB . 51786 1 43 . 2 . 2 10 10 LYS N N 15 122.911 0.12 . . . . . . . 396 LYS N . 51786 1 44 . 2 . 2 11 11 ILE H H 1 8.742 0.00 . . . . . . . 397 ILE H . 51786 1 45 . 2 . 2 11 11 ILE C C 13 174.721 0.02 . . . . . . . 397 ILE C . 51786 1 46 . 2 . 2 11 11 ILE CA C 13 61.660 0.06 . . . . . . . 397 ILE CA . 51786 1 47 . 2 . 2 11 11 ILE CB C 13 39.487 0.03 . . . . . . . 397 ILE CB . 51786 1 48 . 2 . 2 11 11 ILE N N 15 123.140 0.01 . . . . . . . 397 ILE N . 51786 1 49 . 2 . 2 12 12 SER H H 1 7.593 0.00 . . . . . . . 398 SER H . 51786 1 50 . 2 . 2 12 12 SER C C 13 174.731 0.01 . . . . . . . 398 SER C . 51786 1 51 . 2 . 2 12 12 SER CA C 13 56.089 0.05 . . . . . . . 398 SER CA . 51786 1 52 . 2 . 2 12 12 SER CB C 13 64.713 0.02 . . . . . . . 398 SER CB . 51786 1 53 . 2 . 2 12 12 SER N N 15 119.741 0.01 . . . . . . . 398 SER N . 51786 1 54 . 2 . 2 13 13 LYS H H 1 9.353 0.00 . . . . . . . 399 LYS H . 51786 1 55 . 2 . 2 13 13 LYS C C 13 178.214 0.01 . . . . . . . 399 LYS C . 51786 1 56 . 2 . 2 13 13 LYS CA C 13 60.602 0.04 . . . . . . . 399 LYS CA . 51786 1 57 . 2 . 2 13 13 LYS CB C 13 32.124 0.02 . . . . . . . 399 LYS CB . 51786 1 58 . 2 . 2 13 13 LYS N N 15 128.114 0.02 . . . . . . . 399 LYS N . 51786 1 59 . 2 . 2 14 14 ARG H H 1 8.349 0.00 . . . . . . . 400 ARG H . 51786 1 60 . 2 . 2 14 14 ARG C C 13 178.388 0.03 . . . . . . . 400 ARG C . 51786 1 61 . 2 . 2 14 14 ARG CA C 13 59.490 0.01 . . . . . . . 400 ARG CA . 51786 1 62 . 2 . 2 14 14 ARG CB C 13 29.917 0.02 . . . . . . . 400 ARG CB . 51786 1 63 . 2 . 2 14 14 ARG N N 15 118.704 0.01 . . . . . . . 400 ARG N . 51786 1 64 . 2 . 2 15 15 LEU H H 1 7.550 0.00 . . . . . . . 401 LEU H . 51786 1 65 . 2 . 2 15 15 LEU C C 13 178.722 0.01 . . . . . . . 401 LEU C . 51786 1 66 . 2 . 2 15 15 LEU CA C 13 57.624 0.05 . . . . . . . 401 LEU CA . 51786 1 67 . 2 . 2 15 15 LEU CB C 13 42.165 0.01 . . . . . . . 401 LEU CB . 51786 1 68 . 2 . 2 15 15 LEU N N 15 119.952 0.01 . . . . . . . 401 LEU N . 51786 1 69 . 2 . 2 16 16 ILE H H 1 7.618 0.00 . . . . . . . 402 ILE H . 51786 1 70 . 2 . 2 16 16 ILE C C 13 177.049 0.01 . . . . . . . 402 ILE C . 51786 1 71 . 2 . 2 16 16 ILE CA C 13 66.418 0.02 . . . . . . . 402 ILE CA . 51786 1 72 . 2 . 2 16 16 ILE CB C 13 38.096 0.02 . . . . . . . 402 ILE CB . 51786 1 73 . 2 . 2 16 16 ILE N N 15 118.211 0.01 . . . . . . . 402 ILE N . 51786 1 74 . 2 . 2 17 17 LYS H H 1 8.043 0.00 . . . . . . . 403 LYS H . 51786 1 75 . 2 . 2 17 17 LYS C C 13 178.923 0.01 . . . . . . . 403 LYS C . 51786 1 76 . 2 . 2 17 17 LYS CA C 13 60.412 0.05 . . . . . . . 403 LYS CA . 51786 1 77 . 2 . 2 17 17 LYS CB C 13 32.365 0.01 . . . . . . . 403 LYS CB . 51786 1 78 . 2 . 2 17 17 LYS N N 15 116.764 0.01 . . . . . . . 403 LYS N . 51786 1 79 . 2 . 2 18 18 GLU H H 1 7.735 0.00 . . . . . . . 404 GLU H . 51786 1 80 . 2 . 2 18 18 GLU C C 13 179.599 0.02 . . . . . . . 404 GLU C . 51786 1 81 . 2 . 2 18 18 GLU CA C 13 59.251 0.04 . . . . . . . 404 GLU CA . 51786 1 82 . 2 . 2 18 18 GLU CB C 13 29.544 0.01 . . . . . . . 404 GLU CB . 51786 1 83 . 2 . 2 18 18 GLU N N 15 116.972 0.02 . . . . . . . 404 GLU N . 51786 1 84 . 2 . 2 19 19 LYS H H 1 7.758 0.00 . . . . . . . 405 LYS H . 51786 1 85 . 2 . 2 19 19 LYS C C 13 177.954 0.00 . . . . . . . 405 LYS C . 51786 1 86 . 2 . 2 19 19 LYS CA C 13 58.438 0.01 . . . . . . . 405 LYS CA . 51786 1 87 . 2 . 2 19 19 LYS CB C 13 30.446 0.01 . . . . . . . 405 LYS CB . 51786 1 88 . 2 . 2 19 19 LYS N N 15 119.293 0.01 . . . . . . . 405 LYS N . 51786 1 89 . 2 . 2 20 20 LEU H H 1 7.535 0.00 . . . . . . . 406 LEU H . 51786 1 90 . 2 . 2 20 20 LEU C C 13 177.241 0.00 . . . . . . . 406 LEU C . 51786 1 91 . 2 . 2 20 20 LEU CA C 13 56.597 0.02 . . . . . . . 406 LEU CA . 51786 1 92 . 2 . 2 20 20 LEU CB C 13 41.372 0.01 . . . . . . . 406 LEU CB . 51786 1 93 . 2 . 2 20 20 LEU N N 15 113.275 0.01 . . . . . . . 406 LEU N . 51786 1 94 . 2 . 2 21 21 LYS H H 1 7.019 0.00 . . . . . . . 407 LYS H . 51786 1 95 . 2 . 2 21 21 LYS C C 13 175.440 0.01 . . . . . . . 407 LYS C . 51786 1 96 . 2 . 2 21 21 LYS CA C 13 55.877 0.04 . . . . . . . 407 LYS CA . 51786 1 97 . 2 . 2 21 21 LYS CB C 13 32.962 0.01 . . . . . . . 407 LYS CB . 51786 1 98 . 2 . 2 21 21 LYS N N 15 113.891 0.00 . . . . . . . 407 LYS N . 51786 1 99 . 2 . 2 22 22 ASP H H 1 7.446 0.00 . . . . . . . 408 ASP H . 51786 1 100 . 2 . 2 22 22 ASP C C 13 175.583 0.02 . . . . . . . 408 ASP C . 51786 1 101 . 2 . 2 22 22 ASP CA C 13 53.133 0.04 . . . . . . . 408 ASP CA . 51786 1 102 . 2 . 2 22 22 ASP CB C 13 41.469 0.01 . . . . . . . 408 ASP CB . 51786 1 103 . 2 . 2 22 22 ASP N N 15 122.231 0.01 . . . . . . . 408 ASP N . 51786 1 104 . 2 . 2 23 23 GLU H H 1 8.787 0.00 . . . . . . . 409 GLU H . 51786 1 105 . 2 . 2 23 23 GLU C C 13 179.350 0.01 . . . . . . . 409 GLU C . 51786 1 106 . 2 . 2 23 23 GLU CA C 13 59.744 0.00 . . . . . . . 409 GLU CA . 51786 1 107 . 2 . 2 23 23 GLU CB C 13 29.724 0.02 . . . . . . . 409 GLU CB . 51786 1 108 . 2 . 2 23 23 GLU N N 15 125.603 0.02 . . . . . . . 409 GLU N . 51786 1 109 . 2 . 2 24 24 GLU H H 1 8.260 0.00 . . . . . . . 410 GLU H . 51786 1 110 . 2 . 2 24 24 GLU C C 13 178.188 0.04 . . . . . . . 410 GLU C . 51786 1 111 . 2 . 2 24 24 GLU CA C 13 59.037 0.05 . . . . . . . 410 GLU CA . 51786 1 112 . 2 . 2 24 24 GLU CB C 13 29.183 0.05 . . . . . . . 410 GLU CB . 51786 1 113 . 2 . 2 24 24 GLU N N 15 119.385 0.01 . . . . . . . 410 GLU N . 51786 1 114 . 2 . 2 25 25 PHE H H 1 7.740 0.00 . . . . . . . 411 PHE H . 51786 1 115 . 2 . 2 25 25 PHE C C 13 177.493 0.01 . . . . . . . 411 PHE C . 51786 1 116 . 2 . 2 25 25 PHE CA C 13 61.861 0.03 . . . . . . . 411 PHE CA . 51786 1 117 . 2 . 2 25 25 PHE CB C 13 38.988 0.04 . . . . . . . 411 PHE CB . 51786 1 118 . 2 . 2 25 25 PHE N N 15 122.841 0.04 . . . . . . . 411 PHE N . 51786 1 119 . 2 . 2 26 26 ILE H H 1 8.328 0.00 . . . . . . . 412 ILE H . 51786 1 120 . 2 . 2 26 26 ILE C C 13 177.894 0.01 . . . . . . . 412 ILE C . 51786 1 121 . 2 . 2 26 26 ILE CA C 13 63.069 0.05 . . . . . . . 412 ILE CA . 51786 1 122 . 2 . 2 26 26 ILE CB C 13 36.281 0.02 . . . . . . . 412 ILE CB . 51786 1 123 . 2 . 2 26 26 ILE N N 15 118.671 0.01 . . . . . . . 412 ILE N . 51786 1 124 . 2 . 2 27 27 LYS H H 1 7.834 0.00 . . . . . . . 413 LYS H . 51786 1 125 . 2 . 2 27 27 LYS C C 13 180.393 0.01 . . . . . . . 413 LYS C . 51786 1 126 . 2 . 2 27 27 LYS CA C 13 60.445 0.04 . . . . . . . 413 LYS CA . 51786 1 127 . 2 . 2 27 27 LYS CB C 13 32.115 0.03 . . . . . . . 413 LYS CB . 51786 1 128 . 2 . 2 27 27 LYS N N 15 119.412 0.01 . . . . . . . 413 LYS N . 51786 1 129 . 2 . 2 28 28 TRP H H 1 7.814 0.00 . . . . . . . 414 TRP H . 51786 1 130 . 2 . 2 28 28 TRP C C 13 178.349 0.08 . . . . . . . 414 TRP C . 51786 1 131 . 2 . 2 28 28 TRP CA C 13 60.803 0.03 . . . . . . . 414 TRP CA . 51786 1 132 . 2 . 2 28 28 TRP CB C 13 29.044 0.01 . . . . . . . 414 TRP CB . 51786 1 133 . 2 . 2 28 28 TRP N N 15 121.175 0.01 . . . . . . . 414 TRP N . 51786 1 134 . 2 . 2 29 29 VAL H H 1 8.402 0.00 . . . . . . . 415 VAL H . 51786 1 135 . 2 . 2 29 29 VAL C C 13 177.993 0.02 . . . . . . . 415 VAL C . 51786 1 136 . 2 . 2 29 29 VAL CA C 13 67.227 0.05 . . . . . . . 415 VAL CA . 51786 1 137 . 2 . 2 29 29 VAL CB C 13 31.303 0.03 . . . . . . . 415 VAL CB . 51786 1 138 . 2 . 2 29 29 VAL N N 15 120.926 0.04 . . . . . . . 415 VAL N . 51786 1 139 . 2 . 2 30 30 ASN H H 1 8.469 0.00 . . . . . . . 416 ASN H . 51786 1 140 . 2 . 2 30 30 ASN C C 13 178.152 0.02 . . . . . . . 416 ASN C . 51786 1 141 . 2 . 2 30 30 ASN CA C 13 55.699 0.04 . . . . . . . 416 ASN CA . 51786 1 142 . 2 . 2 30 30 ASN CB C 13 37.529 0.01 . . . . . . . 416 ASN CB . 51786 1 143 . 2 . 2 30 30 ASN N N 15 117.487 0.01 . . . . . . . 416 ASN N . 51786 1 144 . 2 . 2 31 31 LYS H H 1 7.954 0.00 . . . . . . . 417 LYS H . 51786 1 145 . 2 . 2 31 31 LYS C C 13 179.855 0.01 . . . . . . . 417 LYS C . 51786 1 146 . 2 . 2 31 31 LYS CA C 13 59.638 0.01 . . . . . . . 417 LYS CA . 51786 1 147 . 2 . 2 31 31 LYS CB C 13 32.335 0.04 . . . . . . . 417 LYS CB . 51786 1 148 . 2 . 2 31 31 LYS N N 15 121.557 0.01 . . . . . . . 417 LYS N . 51786 1 149 . 2 . 2 32 32 VAL H H 1 8.276 0.00 . . . . . . . 418 VAL H . 51786 1 150 . 2 . 2 32 32 VAL C C 13 177.415 0.00 . . . . . . . 418 VAL C . 51786 1 151 . 2 . 2 32 32 VAL CA C 13 66.482 0.01 . . . . . . . 418 VAL CA . 51786 1 152 . 2 . 2 32 32 VAL CB C 13 30.965 0.01 . . . . . . . 418 VAL CB . 51786 1 153 . 2 . 2 32 32 VAL N N 15 120.900 0.01 . . . . . . . 418 VAL N . 51786 1 154 . 2 . 2 33 33 GLU H H 1 9.034 0.00 . . . . . . . 419 GLU H . 51786 1 155 . 2 . 2 33 33 GLU C C 13 177.662 0.01 . . . . . . . 419 GLU C . 51786 1 156 . 2 . 2 33 33 GLU CA C 13 61.165 0.02 . . . . . . . 419 GLU CA . 51786 1 157 . 2 . 2 33 33 GLU CB C 13 27.337 0.01 . . . . . . . 419 GLU CB . 51786 1 158 . 2 . 2 33 33 GLU N N 15 123.551 0.03 . . . . . . . 419 GLU N . 51786 1 159 . 2 . 2 34 34 THR H H 1 7.534 0.00 . . . . . . . 420 THR H . 51786 1 160 . 2 . 2 34 34 THR C C 13 176.562 0.01 . . . . . . . 420 THR C . 51786 1 161 . 2 . 2 34 34 THR CA C 13 66.186 0.01 . . . . . . . 420 THR CA . 51786 1 162 . 2 . 2 34 34 THR CB C 13 69.166 0.01 . . . . . . . 420 THR CB . 51786 1 163 . 2 . 2 34 34 THR N N 15 111.588 0.02 . . . . . . . 420 THR N . 51786 1 164 . 2 . 2 35 35 VAL H H 1 7.163 0.00 . . . . . . . 421 VAL H . 51786 1 165 . 2 . 2 35 35 VAL C C 13 178.536 0.00 . . . . . . . 421 VAL C . 51786 1 166 . 2 . 2 35 35 VAL CA C 13 65.913 0.04 . . . . . . . 421 VAL CA . 51786 1 167 . 2 . 2 35 35 VAL CB C 13 31.932 0.02 . . . . . . . 421 VAL CB . 51786 1 168 . 2 . 2 35 35 VAL N N 15 122.307 0.01 . . . . . . . 421 VAL N . 51786 1 169 . 2 . 2 36 36 LEU H H 1 8.405 0.00 . . . . . . . 422 LEU H . 51786 1 170 . 2 . 2 36 36 LEU C C 13 178.481 0.00 . . . . . . . 422 LEU C . 51786 1 171 . 2 . 2 36 36 LEU CA C 13 57.999 0.02 . . . . . . . 422 LEU CA . 51786 1 172 . 2 . 2 36 36 LEU CB C 13 41.860 0.02 . . . . . . . 422 LEU CB . 51786 1 173 . 2 . 2 36 36 LEU N N 15 120.627 0.03 . . . . . . . 422 LEU N . 51786 1 174 . 2 . 2 37 37 ASN H H 1 8.372 0.00 . . . . . . . 423 ASN H . 51786 1 175 . 2 . 2 37 37 ASN C C 13 177.538 0.01 . . . . . . . 423 ASN C . 51786 1 176 . 2 . 2 37 37 ASN CA C 13 56.106 0.05 . . . . . . . 423 ASN CA . 51786 1 177 . 2 . 2 37 37 ASN CB C 13 38.310 0.01 . . . . . . . 423 ASN CB . 51786 1 178 . 2 . 2 37 37 ASN N N 15 116.020 0.01 . . . . . . . 423 ASN N . 51786 1 179 . 2 . 2 38 38 LYS H H 1 7.354 0.00 . . . . . . . 424 LYS H . 51786 1 180 . 2 . 2 38 38 LYS C C 13 178.422 0.02 . . . . . . . 424 LYS C . 51786 1 181 . 2 . 2 38 38 LYS CA C 13 57.281 0.05 . . . . . . . 424 LYS CA . 51786 1 182 . 2 . 2 38 38 LYS CB C 13 32.186 0.00 . . . . . . . 424 LYS CB . 51786 1 183 . 2 . 2 38 38 LYS N N 15 117.250 0.01 . . . . . . . 424 LYS N . 51786 1 184 . 2 . 2 39 39 MET H H 1 7.871 0.00 . . . . . . . 425 MET H . 51786 1 185 . 2 . 2 39 39 MET C C 13 176.891 0.00 . . . . . . . 425 MET C . 51786 1 186 . 2 . 2 39 39 MET CA C 13 58.065 0.01 . . . . . . . 425 MET CA . 51786 1 187 . 2 . 2 39 39 MET CB C 13 33.322 0.01 . . . . . . . 425 MET CB . 51786 1 188 . 2 . 2 39 39 MET N N 15 118.792 0.01 . . . . . . . 425 MET N . 51786 1 189 . 2 . 2 40 40 PHE H H 1 7.788 0.00 . . . . . . . 426 PHE H . 51786 1 190 . 2 . 2 40 40 PHE C C 13 175.508 0.03 . . . . . . . 426 PHE C . 51786 1 191 . 2 . 2 40 40 PHE CA C 13 56.751 0.00 . . . . . . . 426 PHE CA . 51786 1 192 . 2 . 2 40 40 PHE CB C 13 38.968 0.01 . . . . . . . 426 PHE CB . 51786 1 193 . 2 . 2 40 40 PHE N N 15 117.042 0.00 . . . . . . . 426 PHE N . 51786 1 194 . 2 . 2 41 41 GLU H H 1 7.765 0.00 . . . . . . . 427 GLU H . 51786 1 195 . 2 . 2 41 41 GLU C C 13 175.450 0.01 . . . . . . . 427 GLU C . 51786 1 196 . 2 . 2 41 41 GLU CA C 13 57.076 0.02 . . . . . . . 427 GLU CA . 51786 1 197 . 2 . 2 41 41 GLU CB C 13 30.022 0.02 . . . . . . . 427 GLU CB . 51786 1 198 . 2 . 2 41 41 GLU N N 15 121.543 0.01 . . . . . . . 427 GLU N . 51786 1 199 . 2 . 2 42 42 LYS H H 1 7.990 0.00 . . . . . . . 428 LYS H . 51786 1 200 . 2 . 2 42 42 LYS C C 13 181.369 0.00 . . . . . . . 428 LYS C . 51786 1 201 . 2 . 2 42 42 LYS CA C 13 57.710 0.02 . . . . . . . 428 LYS CA . 51786 1 202 . 2 . 2 42 42 LYS CB C 13 33.665 0.00 . . . . . . . 428 LYS CB . 51786 1 203 . 2 . 2 42 42 LYS N N 15 127.356 0.01 . . . . . . . 428 LYS N . 51786 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51786 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'Mei4 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 'These are the assignments for Mei4 in the 2:1 Rec114:Mei4 trimeric complex.' _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' . . . 51786 2 2 '3D CBCA(CO)NH' . . . 51786 2 3 '3D HNCACB' . . . 51786 2 4 '3D HNCO' . . . 51786 2 5 '3D HNCACO' . . . 51786 2 6 '3D HNCA' . . . 51786 2 7 '3D HNN' . . . 51786 2 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 . . 51786 2 3 $software_3 . . 51786 2 4 $software_4 . . 51786 2 5 $software_5 . . 51786 2 6 $software_6 . . 51786 2 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 GLU C C 13 176.610 0.00 . . . . . . . 13 GLU C . 51786 2 2 . 1 . 1 2 2 GLU CA C 13 56.963 0.01 . . . . . . . 13 GLU CA . 51786 2 3 . 1 . 1 2 2 GLU CB C 13 30.233 0.00 . . . . . . . 13 GLU CB . 51786 2 4 . 1 . 1 3 3 THR H H 1 8.317 0.00 . . . . . . . 14 THR H . 51786 2 5 . 1 . 1 3 3 THR C C 13 175.071 0.00 . . . . . . . 14 THR C . 51786 2 6 . 1 . 1 3 3 THR CA C 13 63.300 0.03 . . . . . . . 14 THR CA . 51786 2 7 . 1 . 1 3 3 THR CB C 13 69.380 0.01 . . . . . . . 14 THR CB . 51786 2 8 . 1 . 1 3 3 THR N N 15 116.886 0.01 . . . . . . . 14 THR N . 51786 2 9 . 1 . 1 4 4 SER H H 1 8.673 0.00 . . . . . . . 15 SER H . 51786 2 10 . 1 . 1 4 4 SER C C 13 175.248 0.03 . . . . . . . 15 SER C . 51786 2 11 . 1 . 1 4 4 SER CA C 13 58.792 0.04 . . . . . . . 15 SER CA . 51786 2 12 . 1 . 1 4 4 SER CB C 13 64.518 0.03 . . . . . . . 15 SER CB . 51786 2 13 . 1 . 1 4 4 SER N N 15 121.535 0.02 . . . . . . . 15 SER N . 51786 2 14 . 1 . 1 5 5 GLU H H 1 8.673 0.00 . . . . . . . 16 GLU H . 51786 2 15 . 1 . 1 5 5 GLU C C 13 178.895 0.01 . . . . . . . 16 GLU C . 51786 2 16 . 1 . 1 5 5 GLU CA C 13 59.826 0.01 . . . . . . . 16 GLU CA . 51786 2 17 . 1 . 1 5 5 GLU CB C 13 29.895 0.01 . . . . . . . 16 GLU CB . 51786 2 18 . 1 . 1 5 5 GLU N N 15 122.602 0.02 . . . . . . . 16 GLU N . 51786 2 19 . 1 . 1 6 6 VAL H H 1 7.941 0.00 . . . . . . . 17 VAL H . 51786 2 20 . 1 . 1 6 6 VAL C C 13 176.863 0.00 . . . . . . . 17 VAL C . 51786 2 21 . 1 . 1 6 6 VAL CA C 13 66.735 0.02 . . . . . . . 17 VAL CA . 51786 2 22 . 1 . 1 6 6 VAL CB C 13 31.695 0.03 . . . . . . . 17 VAL CB . 51786 2 23 . 1 . 1 6 6 VAL N N 15 116.893 0.01 . . . . . . . 17 VAL N . 51786 2 24 . 1 . 1 7 7 ASP H H 1 7.749 0.00 . . . . . . . 18 ASP H . 51786 2 25 . 1 . 1 7 7 ASP C C 13 179.172 0.02 . . . . . . . 18 ASP C . 51786 2 26 . 1 . 1 7 7 ASP CA C 13 58.291 0.00 . . . . . . . 18 ASP CA . 51786 2 27 . 1 . 1 7 7 ASP CB C 13 39.789 0.02 . . . . . . . 18 ASP CB . 51786 2 28 . 1 . 1 7 7 ASP N N 15 121.059 0.01 . . . . . . . 18 ASP N . 51786 2 29 . 1 . 1 8 8 TRP H H 1 7.905 0.00 . . . . . . . 19 TRP H . 51786 2 30 . 1 . 1 8 8 TRP C C 13 178.321 0.01 . . . . . . . 19 TRP C . 51786 2 31 . 1 . 1 8 8 TRP CA C 13 61.702 0.04 . . . . . . . 19 TRP CA . 51786 2 32 . 1 . 1 8 8 TRP CB C 13 29.928 0.02 . . . . . . . 19 TRP CB . 51786 2 33 . 1 . 1 8 8 TRP N N 15 118.663 0.02 . . . . . . . 19 TRP N . 51786 2 34 . 1 . 1 9 9 ILE H H 1 8.557 0.00 . . . . . . . 20 ILE H . 51786 2 35 . 1 . 1 9 9 ILE C C 13 177.825 0.02 . . . . . . . 20 ILE C . 51786 2 36 . 1 . 1 9 9 ILE CA C 13 65.162 0.03 . . . . . . . 20 ILE CA . 51786 2 37 . 1 . 1 9 9 ILE CB C 13 38.158 0.04 . . . . . . . 20 ILE CB . 51786 2 38 . 1 . 1 9 9 ILE N N 15 120.253 0.01 . . . . . . . 20 ILE N . 51786 2 39 . 1 . 1 10 10 ILE H H 1 8.480 0.00 . . . . . . . 21 ILE H . 51786 2 40 . 1 . 1 10 10 ILE C C 13 176.611 0.01 . . . . . . . 21 ILE C . 51786 2 41 . 1 . 1 10 10 ILE CA C 13 66.312 0.01 . . . . . . . 21 ILE CA . 51786 2 42 . 1 . 1 10 10 ILE CB C 13 38.014 0.06 . . . . . . . 21 ILE CB . 51786 2 43 . 1 . 1 10 10 ILE N N 15 117.843 0.01 . . . . . . . 21 ILE N . 51786 2 44 . 1 . 1 11 11 CYS H H 1 8.776 0.00 . . . . . . . 22 CYS H . 51786 2 45 . 1 . 1 11 11 CYS C C 13 175.709 0.01 . . . . . . . 22 CYS C . 51786 2 46 . 1 . 1 11 11 CYS CA C 13 61.064 0.00 . . . . . . . 22 CYS CA . 51786 2 47 . 1 . 1 11 11 CYS CB C 13 26.870 0.03 . . . . . . . 22 CYS CB . 51786 2 48 . 1 . 1 11 11 CYS N N 15 119.203 0.01 . . . . . . . 22 CYS N . 51786 2 49 . 1 . 1 12 12 PHE H H 1 8.532 0.00 . . . . . . . 23 PHE H . 51786 2 50 . 1 . 1 12 12 PHE C C 13 176.959 0.00 . . . . . . . 23 PHE C . 51786 2 51 . 1 . 1 12 12 PHE CA C 13 61.200 0.03 . . . . . . . 23 PHE CA . 51786 2 52 . 1 . 1 12 12 PHE CB C 13 38.508 0.01 . . . . . . . 23 PHE CB . 51786 2 53 . 1 . 1 12 12 PHE N N 15 115.787 0.01 . . . . . . . 23 PHE N . 51786 2 54 . 1 . 1 13 13 ALA H H 1 8.579 0.00 . . . . . . . 24 ALA H . 51786 2 55 . 1 . 1 13 13 ALA C C 13 179.346 0.01 . . . . . . . 24 ALA C . 51786 2 56 . 1 . 1 13 13 ALA CA C 13 55.502 0.01 . . . . . . . 24 ALA CA . 51786 2 57 . 1 . 1 13 13 ALA CB C 13 18.832 0.00 . . . . . . . 24 ALA CB . 51786 2 58 . 1 . 1 13 13 ALA N N 15 123.283 0.01 . . . . . . . 24 ALA N . 51786 2 59 . 1 . 1 14 14 LEU H H 1 8.583 0.00 . . . . . . . 25 LEU H . 51786 2 60 . 1 . 1 14 14 LEU C C 13 179.386 0.01 . . . . . . . 25 LEU C . 51786 2 61 . 1 . 1 14 14 LEU CA C 13 57.972 0.02 . . . . . . . 25 LEU CA . 51786 2 62 . 1 . 1 14 14 LEU CB C 13 41.832 0.05 . . . . . . . 25 LEU CB . 51786 2 63 . 1 . 1 14 14 LEU N N 15 120.858 0.02 . . . . . . . 25 LEU N . 51786 2 64 . 1 . 1 15 15 ILE H H 1 8.006 0.00 . . . . . . . 26 ILE H . 51786 2 65 . 1 . 1 15 15 ILE C C 13 176.634 0.01 . . . . . . . 26 ILE C . 51786 2 66 . 1 . 1 15 15 ILE CA C 13 66.556 0.02 . . . . . . . 26 ILE CA . 51786 2 67 . 1 . 1 15 15 ILE CB C 13 37.966 0.04 . . . . . . . 26 ILE CB . 51786 2 68 . 1 . 1 15 15 ILE N N 15 120.564 0.02 . . . . . . . 26 ILE N . 51786 2 69 . 1 . 1 16 16 GLN H H 1 8.330 0.01 . . . . . . . 27 GLN H . 51786 2 70 . 1 . 1 16 16 GLN C C 13 176.438 0.02 . . . . . . . 27 GLN C . 51786 2 71 . 1 . 1 16 16 GLN CA C 13 59.463 0.01 . . . . . . . 27 GLN CA . 51786 2 72 . 1 . 1 16 16 GLN CB C 13 26.608 0.02 . . . . . . . 27 GLN CB . 51786 2 73 . 1 . 1 16 16 GLN N N 15 118.697 0.02 . . . . . . . 27 GLN N . 51786 2 74 . 1 . 1 17 17 SER H H 1 7.720 0.00 . . . . . . . 28 SER H . 51786 2 75 . 1 . 1 17 17 SER C C 13 176.389 0.00 . . . . . . . 28 SER C . 51786 2 76 . 1 . 1 17 17 SER CA C 13 60.897 0.01 . . . . . . . 28 SER CA . 51786 2 77 . 1 . 1 17 17 SER CB C 13 63.995 0.01 . . . . . . . 28 SER CB . 51786 2 78 . 1 . 1 17 17 SER N N 15 110.422 0.02 . . . . . . . 28 SER N . 51786 2 79 . 1 . 1 18 18 ARG H H 1 8.018 0.00 . . . . . . . 29 ARG H . 51786 2 80 . 1 . 1 18 18 ARG C C 13 176.047 0.01 . . . . . . . 29 ARG C . 51786 2 81 . 1 . 1 18 18 ARG CA C 13 56.149 0.05 . . . . . . . 29 ARG CA . 51786 2 82 . 1 . 1 18 18 ARG CB C 13 31.325 0.01 . . . . . . . 29 ARG CB . 51786 2 83 . 1 . 1 18 18 ARG N N 15 115.799 0.01 . . . . . . . 29 ARG N . 51786 2 84 . 1 . 1 19 19 ASN H H 1 8.752 0.00 . . . . . . . 30 ASN H . 51786 2 85 . 1 . 1 19 19 ASN C C 13 170.978 0.00 . . . . . . . 30 ASN C . 51786 2 86 . 1 . 1 19 19 ASN CA C 13 50.079 0.02 . . . . . . . 30 ASN CA . 51786 2 87 . 1 . 1 19 19 ASN CB C 13 37.863 0.00 . . . . . . . 30 ASN CB . 51786 2 88 . 1 . 1 19 19 ASN N N 15 120.824 0.01 . . . . . . . 30 ASN N . 51786 2 89 . 1 . 1 20 20 PRO C C 13 179.896 0.01 . . . . . . . 31 PRO C . 51786 2 90 . 1 . 1 20 20 PRO CA C 13 65.094 0.01 . . . . . . . 31 PRO CA . 51786 2 91 . 1 . 1 20 20 PRO CB C 13 31.484 0.01 . . . . . . . 31 PRO CB . 51786 2 92 . 1 . 1 21 21 THR H H 1 8.368 0.00 . . . . . . . 32 THR H . 51786 2 93 . 1 . 1 21 21 THR C C 13 176.814 0.00 . . . . . . . 32 THR C . 51786 2 94 . 1 . 1 21 21 THR CA C 13 66.269 0.01 . . . . . . . 32 THR CA . 51786 2 95 . 1 . 1 21 21 THR CB C 13 68.188 0.01 . . . . . . . 32 THR CB . 51786 2 96 . 1 . 1 21 21 THR N N 15 113.253 0.01 . . . . . . . 32 THR N . 51786 2 97 . 1 . 1 22 22 LEU H H 1 7.211 0.00 . . . . . . . 33 LEU H . 51786 2 98 . 1 . 1 22 22 LEU C C 13 177.459 0.00 . . . . . . . 33 LEU C . 51786 2 99 . 1 . 1 22 22 LEU CA C 13 57.698 0.06 . . . . . . . 33 LEU CA . 51786 2 100 . 1 . 1 22 22 LEU CB C 13 42.358 0.01 . . . . . . . 33 LEU CB . 51786 2 101 . 1 . 1 22 22 LEU N N 15 124.707 0.02 . . . . . . . 33 LEU N . 51786 2 102 . 1 . 1 23 23 TRP H H 1 7.872 0.00 . . . . . . . 34 TRP H . 51786 2 103 . 1 . 1 23 23 TRP C C 13 175.911 0.01 . . . . . . . 34 TRP C . 51786 2 104 . 1 . 1 23 23 TRP CA C 13 59.903 0.02 . . . . . . . 34 TRP CA . 51786 2 105 . 1 . 1 23 23 TRP CB C 13 30.257 0.03 . . . . . . . 34 TRP CB . 51786 2 106 . 1 . 1 23 23 TRP N N 15 118.109 0.01 . . . . . . . 34 TRP N . 51786 2 107 . 1 . 1 24 24 LYS H H 1 8.029 0.00 . . . . . . . 35 LYS H . 51786 2 108 . 1 . 1 24 24 LYS C C 13 179.895 0.01 . . . . . . . 35 LYS C . 51786 2 109 . 1 . 1 24 24 LYS CA C 13 59.557 0.02 . . . . . . . 35 LYS CA . 51786 2 110 . 1 . 1 24 24 LYS CB C 13 32.326 0.01 . . . . . . . 35 LYS CB . 51786 2 111 . 1 . 1 24 24 LYS N N 15 114.343 0.01 . . . . . . . 35 LYS N . 51786 2 112 . 1 . 1 25 25 ARG H H 1 7.561 0.00 . . . . . . . 36 ARG H . 51786 2 113 . 1 . 1 25 25 ARG C C 13 178.103 0.00 . . . . . . . 36 ARG C . 51786 2 114 . 1 . 1 25 25 ARG CA C 13 59.501 0.05 . . . . . . . 36 ARG CA . 51786 2 115 . 1 . 1 25 25 ARG CB C 13 30.362 0.07 . . . . . . . 36 ARG CB . 51786 2 116 . 1 . 1 25 25 ARG N N 15 119.411 0.01 . . . . . . . 36 ARG N . 51786 2 117 . 1 . 1 26 26 ALA H H 1 8.002 0.00 . . . . . . . 37 ALA H . 51786 2 118 . 1 . 1 26 26 ALA C C 13 177.811 0.01 . . . . . . . 37 ALA C . 51786 2 119 . 1 . 1 26 26 ALA CA C 13 53.434 0.05 . . . . . . . 37 ALA CA . 51786 2 120 . 1 . 1 26 26 ALA CB C 13 17.538 0.01 . . . . . . . 37 ALA CB . 51786 2 121 . 1 . 1 26 26 ALA N N 15 122.233 0.04 . . . . . . . 37 ALA N . 51786 2 122 . 1 . 1 27 27 LEU H H 1 7.085 0.00 . . . . . . . 38 LEU H . 51786 2 123 . 1 . 1 27 27 LEU C C 13 178.601 0.01 . . . . . . . 38 LEU C . 51786 2 124 . 1 . 1 27 27 LEU CA C 13 55.154 0.03 . . . . . . . 38 LEU CA . 51786 2 125 . 1 . 1 27 27 LEU CB C 13 41.532 0.02 . . . . . . . 38 LEU CB . 51786 2 126 . 1 . 1 27 27 LEU N N 15 114.801 0.02 . . . . . . . 38 LEU N . 51786 2 127 . 1 . 1 28 28 SER H H 1 7.366 0.00 . . . . . . . 39 SER H . 51786 2 128 . 1 . 1 28 28 SER C C 13 174.917 0.01 . . . . . . . 39 SER C . 51786 2 129 . 1 . 1 28 28 SER CA C 13 59.570 0.01 . . . . . . . 39 SER CA . 51786 2 130 . 1 . 1 28 28 SER CB C 13 63.619 0.00 . . . . . . . 39 SER CB . 51786 2 131 . 1 . 1 28 28 SER N N 15 114.112 0.01 . . . . . . . 39 SER N . 51786 2 132 . 1 . 1 29 29 ARG H H 1 7.935 0.00 . . . . . . . 40 ARG H . 51786 2 133 . 1 . 1 29 29 ARG C C 13 176.344 0.00 . . . . . . . 40 ARG C . 51786 2 134 . 1 . 1 29 29 ARG CA C 13 55.650 0.01 . . . . . . . 40 ARG CA . 51786 2 135 . 1 . 1 29 29 ARG CB C 13 30.176 0.02 . . . . . . . 40 ARG CB . 51786 2 136 . 1 . 1 29 29 ARG N N 15 122.431 0.02 . . . . . . . 40 ARG N . 51786 2 137 . 1 . 1 30 30 LYS H H 1 8.112 0.00 . . . . . . . 41 LYS H . 51786 2 138 . 1 . 1 30 30 LYS C C 13 176.426 0.01 . . . . . . . 41 LYS C . 51786 2 139 . 1 . 1 30 30 LYS CA C 13 56.921 0.01 . . . . . . . 41 LYS CA . 51786 2 140 . 1 . 1 30 30 LYS CB C 13 32.852 0.01 . . . . . . . 41 LYS CB . 51786 2 141 . 1 . 1 30 30 LYS N N 15 122.400 0.01 . . . . . . . 41 LYS N . 51786 2 142 . 1 . 1 31 31 LYS H H 1 8.375 0.00 . . . . . . . 42 LYS H . 51786 2 143 . 1 . 1 31 31 LYS C C 13 175.947 0.01 . . . . . . . 42 LYS C . 51786 2 144 . 1 . 1 31 31 LYS CA C 13 56.372 0.06 . . . . . . . 42 LYS CA . 51786 2 145 . 1 . 1 31 31 LYS CB C 13 33.019 0.03 . . . . . . . 42 LYS CB . 51786 2 146 . 1 . 1 31 31 LYS N N 15 122.712 0.04 . . . . . . . 42 LYS N . 51786 2 147 . 1 . 1 32 32 GLY H H 1 7.982 0.00 . . . . . . . 43 GLY H . 51786 2 148 . 1 . 1 32 32 GLY C C 13 178.988 0.00 . . . . . . . 43 GLY C . 51786 2 149 . 1 . 1 32 32 GLY CA C 13 46.143 0.02 . . . . . . . 43 GLY CA . 51786 2 150 . 1 . 1 32 32 GLY N N 15 116.454 0.01 . . . . . . . 43 GLY N . 51786 2 stop_ save_ ################################### # 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51786 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'Rec114b 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 'These are the assignments for the second Rec114 chain (Rec114 B) in the 2:1 Rec114:Mei4 trimeric complex.' _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' . . . 51786 3 2 '3D CBCA(CO)NH' . . . 51786 3 3 '3D HNCACB' . . . 51786 3 4 '3D HNCO' . . . 51786 3 5 '3D HNCACO' . . . 51786 3 6 '3D HNCA' . . . 51786 3 7 '3D HNN' . . . 51786 3 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 . . 51786 3 3 $software_3 . . 51786 3 4 $software_4 . . 51786 3 5 $software_5 . . 51786 3 6 $software_6 . . 51786 3 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 . 3 . 2 2 2 ASN C C 13 174.941 0.00 . . . . . . . 388 ASN C . 51786 3 2 . 3 . 2 2 2 ASN CA C 13 53.257 0.00 . . . . . . . 388 ASN CA . 51786 3 3 . 3 . 2 2 2 ASN CB C 13 38.887 0.00 . . . . . . . 388 ASN CB . 51786 3 4 . 3 . 2 3 3 VAL H H 1 8.349 0.00 . . . . . . . 389 VAL H . 51786 3 5 . 3 . 2 3 3 VAL C C 13 175.694 0.01 . . . . . . . 389 VAL C . 51786 3 6 . 3 . 2 3 3 VAL CA C 13 62.443 0.01 . . . . . . . 389 VAL CA . 51786 3 7 . 3 . 2 3 3 VAL CB C 13 32.699 0.01 . . . . . . . 389 VAL CB . 51786 3 8 . 3 . 2 3 3 VAL N N 15 121.233 0.01 . . . . . . . 389 VAL N . 51786 3 9 . 3 . 2 4 4 ASN H H 1 8.551 0.00 . . . . . . . 390 ASN H . 51786 3 10 . 3 . 2 4 4 ASN C C 13 175.567 0.03 . . . . . . . 390 ASN C . 51786 3 11 . 3 . 2 4 4 ASN CA C 13 53.262 0.05 . . . . . . . 390 ASN CA . 51786 3 12 . 3 . 2 4 4 ASN CB C 13 38.754 0.00 . . . . . . . 390 ASN CB . 51786 3 13 . 3 . 2 4 4 ASN N N 15 122.394 0.01 . . . . . . . 390 ASN N . 51786 3 14 . 3 . 2 5 5 ARG H H 1 8.451 0.00 . . . . . . . 391 ARG H . 51786 3 15 . 3 . 2 5 5 ARG C C 13 176.375 0.01 . . . . . . . 391 ARG C . 51786 3 16 . 3 . 2 5 5 ARG CA C 13 56.736 0.01 . . . . . . . 391 ARG CA . 51786 3 17 . 3 . 2 5 5 ARG CB C 13 30.416 0.01 . . . . . . . 391 ARG CB . 51786 3 18 . 3 . 2 5 5 ARG N N 15 122.660 0.03 . . . . . . . 391 ARG N . 51786 3 19 . 3 . 2 6 6 ASN H H 1 8.466 0.00 . . . . . . . 392 ASN H . 51786 3 20 . 3 . 2 6 6 ASN C C 13 175.430 0.01 . . . . . . . 392 ASN C . 51786 3 21 . 3 . 2 6 6 ASN CA C 13 53.699 0.03 . . . . . . . 392 ASN CA . 51786 3 22 . 3 . 2 6 6 ASN CB C 13 38.667 0.00 . . . . . . . 392 ASN CB . 51786 3 23 . 3 . 2 6 6 ASN N N 15 118.941 0.01 . . . . . . . 392 ASN N . 51786 3 24 . 3 . 2 7 7 ALA H H 1 8.106 0.00 . . . . . . . 393 ALA H . 51786 3 25 . 3 . 2 7 7 ALA C C 13 177.952 0.01 . . . . . . . 393 ALA C . 51786 3 26 . 3 . 2 7 7 ALA CA C 13 53.246 0.06 . . . . . . . 393 ALA CA . 51786 3 27 . 3 . 2 7 7 ALA CB C 13 19.073 0.01 . . . . . . . 393 ALA CB . 51786 3 28 . 3 . 2 7 7 ALA N N 15 123.939 0.01 . . . . . . . 393 ALA N . 51786 3 29 . 3 . 2 8 8 SER H H 1 8.120 0.00 . . . . . . . 394 SER H . 51786 3 30 . 3 . 2 8 8 SER C C 13 174.414 0.01 . . . . . . . 394 SER C . 51786 3 31 . 3 . 2 8 8 SER CA C 13 58.698 0.04 . . . . . . . 394 SER CA . 51786 3 32 . 3 . 2 8 8 SER CB C 13 63.641 0.01 . . . . . . . 394 SER CB . 51786 3 33 . 3 . 2 8 8 SER N N 15 113.925 0.00 . . . . . . . 394 SER N . 51786 3 34 . 3 . 2 9 9 ARG H H 1 7.847 0.00 . . . . . . . 395 ARG H . 51786 3 35 . 3 . 2 9 9 ARG C C 13 175.096 0.01 . . . . . . . 395 ARG C . 51786 3 36 . 3 . 2 9 9 ARG CA C 13 56.164 0.04 . . . . . . . 395 ARG CA . 51786 3 37 . 3 . 2 9 9 ARG CB C 13 30.270 0.03 . . . . . . . 395 ARG CB . 51786 3 38 . 3 . 2 9 9 ARG N N 15 122.798 0.02 . . . . . . . 395 ARG N . 51786 3 39 . 3 . 2 10 10 LYS H H 1 7.998 0.00 . . . . . . . 396 LYS H . 51786 3 40 . 3 . 2 10 10 LYS C C 13 175.700 0.01 . . . . . . . 396 LYS C . 51786 3 41 . 3 . 2 10 10 LYS CA C 13 56.084 0.04 . . . . . . . 396 LYS CA . 51786 3 42 . 3 . 2 10 10 LYS CB C 13 33.761 0.01 . . . . . . . 396 LYS CB . 51786 3 43 . 3 . 2 10 10 LYS N N 15 122.354 0.02 . . . . . . . 396 LYS N . 51786 3 44 . 3 . 2 11 11 ILE H H 1 8.465 0.00 . . . . . . . 397 ILE H . 51786 3 45 . 3 . 2 11 11 ILE C C 13 174.124 0.01 . . . . . . . 397 ILE C . 51786 3 46 . 3 . 2 11 11 ILE CA C 13 61.496 0.05 . . . . . . . 397 ILE CA . 51786 3 47 . 3 . 2 11 11 ILE CB C 13 38.600 0.01 . . . . . . . 397 ILE CB . 51786 3 48 . 3 . 2 11 11 ILE N N 15 123.924 0.02 . . . . . . . 397 ILE N . 51786 3 49 . 3 . 2 12 12 SER H H 1 7.808 0.00 . . . . . . . 398 SER H . 51786 3 50 . 3 . 2 12 12 SER C C 13 174.531 0.00 . . . . . . . 398 SER C . 51786 3 51 . 3 . 2 12 12 SER CA C 13 56.651 0.01 . . . . . . . 398 SER CA . 51786 3 52 . 3 . 2 12 12 SER CB C 13 65.728 0.01 . . . . . . . 398 SER CB . 51786 3 53 . 3 . 2 12 12 SER N N 15 121.699 0.02 . . . . . . . 398 SER N . 51786 3 54 . 3 . 2 13 13 LYS H H 1 8.952 0.00 . . . . . . . 399 LYS H . 51786 3 55 . 3 . 2 13 13 LYS C C 13 178.030 0.00 . . . . . . . 399 LYS C . 51786 3 56 . 3 . 2 13 13 LYS CA C 13 60.630 0.03 . . . . . . . 399 LYS CA . 51786 3 57 . 3 . 2 13 13 LYS CB C 13 32.092 0.01 . . . . . . . 399 LYS CB . 51786 3 58 . 3 . 2 13 13 LYS N N 15 122.272 0.02 . . . . . . . 399 LYS N . 51786 3 59 . 3 . 2 14 14 ARG H H 1 8.101 0.00 . . . . . . . 400 ARG H . 51786 3 60 . 3 . 2 14 14 ARG C C 13 178.024 0.00 . . . . . . . 400 ARG C . 51786 3 61 . 3 . 2 14 14 ARG CA C 13 59.504 0.01 . . . . . . . 400 ARG CA . 51786 3 62 . 3 . 2 14 14 ARG CB C 13 29.749 0.02 . . . . . . . 400 ARG CB . 51786 3 63 . 3 . 2 14 14 ARG N N 15 118.096 0.03 . . . . . . . 400 ARG N . 51786 3 64 . 3 . 2 15 15 LEU H H 1 7.580 0.00 . . . . . . . 401 LEU H . 51786 3 65 . 3 . 2 15 15 LEU C C 13 178.590 0.01 . . . . . . . 401 LEU C . 51786 3 66 . 3 . 2 15 15 LEU CA C 13 57.868 0.03 . . . . . . . 401 LEU CA . 51786 3 67 . 3 . 2 15 15 LEU CB C 13 41.954 0.01 . . . . . . . 401 LEU CB . 51786 3 68 . 3 . 2 15 15 LEU N N 15 121.359 0.01 . . . . . . . 401 LEU N . 51786 3 69 . 3 . 2 16 16 ILE H H 1 7.792 0.00 . . . . . . . 402 ILE H . 51786 3 70 . 3 . 2 16 16 ILE C C 13 177.177 0.01 . . . . . . . 402 ILE C . 51786 3 71 . 3 . 2 16 16 ILE CA C 13 66.394 0.01 . . . . . . . 402 ILE CA . 51786 3 72 . 3 . 2 16 16 ILE CB C 13 38.203 0.03 . . . . . . . 402 ILE CB . 51786 3 73 . 3 . 2 16 16 ILE N N 15 117.808 0.01 . . . . . . . 402 ILE N . 51786 3 74 . 3 . 2 17 17 LYS H H 1 8.182 0.00 . . . . . . . 403 LYS H . 51786 3 75 . 3 . 2 17 17 LYS C C 13 178.973 0.01 . . . . . . . 403 LYS C . 51786 3 76 . 3 . 2 17 17 LYS CA C 13 60.374 0.05 . . . . . . . 403 LYS CA . 51786 3 77 . 3 . 2 17 17 LYS CB C 13 32.355 0.01 . . . . . . . 403 LYS CB . 51786 3 78 . 3 . 2 17 17 LYS N N 15 116.995 0.01 . . . . . . . 403 LYS N . 51786 3 79 . 3 . 2 18 18 GLU H H 1 7.826 0.00 . . . . . . . 404 GLU H . 51786 3 80 . 3 . 2 18 18 GLU C C 13 179.883 0.01 . . . . . . . 404 GLU C . 51786 3 81 . 3 . 2 18 18 GLU CA C 13 59.342 0.03 . . . . . . . 404 GLU CA . 51786 3 82 . 3 . 2 18 18 GLU CB C 13 29.456 0.00 . . . . . . . 404 GLU CB . 51786 3 83 . 3 . 2 18 18 GLU N N 15 117.685 0.01 . . . . . . . 404 GLU N . 51786 3 84 . 3 . 2 19 19 LYS H H 1 7.979 0.00 . . . . . . . 405 LYS H . 51786 3 85 . 3 . 2 19 19 LYS C C 13 178.043 0.01 . . . . . . . 405 LYS C . 51786 3 86 . 3 . 2 19 19 LYS CA C 13 57.966 0.02 . . . . . . . 405 LYS CA . 51786 3 87 . 3 . 2 19 19 LYS CB C 13 29.846 0.06 . . . . . . . 405 LYS CB . 51786 3 88 . 3 . 2 19 19 LYS N N 15 120.334 0.01 . . . . . . . 405 LYS N . 51786 3 89 . 3 . 2 20 20 LEU H H 1 7.866 0.00 . . . . . . . 406 LEU H . 51786 3 90 . 3 . 2 20 20 LEU C C 13 178.075 0.00 . . . . . . . 406 LEU C . 51786 3 91 . 3 . 2 20 20 LEU CA C 13 56.993 0.03 . . . . . . . 406 LEU CA . 51786 3 92 . 3 . 2 20 20 LEU CB C 13 41.106 0.03 . . . . . . . 406 LEU CB . 51786 3 93 . 3 . 2 20 20 LEU N N 15 114.520 0.02 . . . . . . . 406 LEU N . 51786 3 94 . 3 . 2 21 21 LYS H H 1 7.164 0.00 . . . . . . . 407 LYS H . 51786 3 95 . 3 . 2 21 21 LYS C C 13 175.396 0.01 . . . . . . . 407 LYS C . 51786 3 96 . 3 . 2 21 21 LYS CA C 13 55.629 0.01 . . . . . . . 407 LYS CA . 51786 3 97 . 3 . 2 21 21 LYS CB C 13 32.764 0.01 . . . . . . . 407 LYS CB . 51786 3 98 . 3 . 2 21 21 LYS N N 15 114.874 0.01 . . . . . . . 407 LYS N . 51786 3 99 . 3 . 2 22 22 ASP H H 1 7.565 0.00 . . . . . . . 408 ASP H . 51786 3 100 . 3 . 2 22 22 ASP C C 13 175.862 0.01 . . . . . . . 408 ASP C . 51786 3 101 . 3 . 2 22 22 ASP CA C 13 53.276 0.06 . . . . . . . 408 ASP CA . 51786 3 102 . 3 . 2 22 22 ASP CB C 13 41.490 0.00 . . . . . . . 408 ASP CB . 51786 3 103 . 3 . 2 22 22 ASP N N 15 122.654 0.02 . . . . . . . 408 ASP N . 51786 3 104 . 3 . 2 23 23 GLU H H 1 8.930 0.00 . . . . . . . 409 GLU H . 51786 3 105 . 3 . 2 23 23 GLU C C 13 179.274 0.00 . . . . . . . 409 GLU C . 51786 3 106 . 3 . 2 23 23 GLU CA C 13 59.811 0.02 . . . . . . . 409 GLU CA . 51786 3 107 . 3 . 2 23 23 GLU CB C 13 29.831 0.01 . . . . . . . 409 GLU CB . 51786 3 108 . 3 . 2 23 23 GLU N N 15 126.850 0.02 . . . . . . . 409 GLU N . 51786 3 109 . 3 . 2 24 24 GLU H H 1 8.271 0.00 . . . . . . . 410 GLU H . 51786 3 110 . 3 . 2 24 24 GLU C C 13 179.409 0.02 . . . . . . . 410 GLU C . 51786 3 111 . 3 . 2 24 24 GLU CA C 13 59.040 0.05 . . . . . . . 410 GLU CA . 51786 3 112 . 3 . 2 24 24 GLU CB C 13 28.948 0.01 . . . . . . . 410 GLU CB . 51786 3 113 . 3 . 2 24 24 GLU N N 15 117.877 0.01 . . . . . . . 410 GLU N . 51786 3 114 . 3 . 2 25 25 PHE H H 1 8.027 0.00 . . . . . . . 411 PHE H . 51786 3 115 . 3 . 2 25 25 PHE C C 13 176.969 0.01 . . . . . . . 411 PHE C . 51786 3 116 . 3 . 2 25 25 PHE CA C 13 62.105 0.01 . . . . . . . 411 PHE CA . 51786 3 117 . 3 . 2 25 25 PHE CB C 13 38.788 0.01 . . . . . . . 411 PHE CB . 51786 3 118 . 3 . 2 25 25 PHE N N 15 124.372 0.02 . . . . . . . 411 PHE N . 51786 3 119 . 3 . 2 26 26 ILE H H 1 8.288 0.00 . . . . . . . 412 ILE H . 51786 3 120 . 3 . 2 26 26 ILE C C 13 178.474 0.01 . . . . . . . 412 ILE C . 51786 3 121 . 3 . 2 26 26 ILE CA C 13 62.362 0.03 . . . . . . . 412 ILE CA . 51786 3 122 . 3 . 2 26 26 ILE CB C 13 36.054 0.02 . . . . . . . 412 ILE CB . 51786 3 123 . 3 . 2 26 26 ILE N N 15 119.025 0.02 . . . . . . . 412 ILE N . 51786 3 124 . 3 . 2 27 27 LYS H H 1 8.022 0.00 . . . . . . . 413 LYS H . 51786 3 125 . 3 . 2 27 27 LYS C C 13 179.302 0.00 . . . . . . . 413 LYS C . 51786 3 126 . 3 . 2 27 27 LYS CA C 13 60.243 0.04 . . . . . . . 413 LYS CA . 51786 3 127 . 3 . 2 27 27 LYS CB C 13 32.783 0.02 . . . . . . . 413 LYS CB . 51786 3 128 . 3 . 2 27 27 LYS N N 15 119.252 0.02 . . . . . . . 413 LYS N . 51786 3 129 . 3 . 2 28 28 TRP H H 1 7.729 0.00 . . . . . . . 414 TRP H . 51786 3 130 . 3 . 2 28 28 TRP C C 13 176.542 0.01 . . . . . . . 414 TRP C . 51786 3 131 . 3 . 2 28 28 TRP CA C 13 61.846 0.04 . . . . . . . 414 TRP CA . 51786 3 132 . 3 . 2 28 28 TRP CB C 13 26.772 0.03 . . . . . . . 414 TRP CB . 51786 3 133 . 3 . 2 28 28 TRP N N 15 122.694 0.04 . . . . . . . 414 TRP N . 51786 3 134 . 3 . 2 29 29 VAL H H 1 8.322 0.00 . . . . . . . 415 VAL H . 51786 3 135 . 3 . 2 29 29 VAL C C 13 178.135 0.01 . . . . . . . 415 VAL C . 51786 3 136 . 3 . 2 29 29 VAL CA C 13 65.965 0.04 . . . . . . . 415 VAL CA . 51786 3 137 . 3 . 2 29 29 VAL CB C 13 30.989 0.02 . . . . . . . 415 VAL CB . 51786 3 138 . 3 . 2 29 29 VAL N N 15 120.392 0.01 . . . . . . . 415 VAL N . 51786 3 139 . 3 . 2 30 30 ASN H H 1 7.971 0.00 . . . . . . . 416 ASN H . 51786 3 140 . 3 . 2 30 30 ASN C C 13 178.270 0.01 . . . . . . . 416 ASN C . 51786 3 141 . 3 . 2 30 30 ASN CA C 13 56.089 0.04 . . . . . . . 416 ASN CA . 51786 3 142 . 3 . 2 30 30 ASN CB C 13 37.277 0.01 . . . . . . . 416 ASN CB . 51786 3 143 . 3 . 2 30 30 ASN N N 15 116.100 0.02 . . . . . . . 416 ASN N . 51786 3 144 . 3 . 2 31 31 LYS H H 1 7.752 0.00 . . . . . . . 417 LYS H . 51786 3 145 . 3 . 2 31 31 LYS C C 13 179.384 0.02 . . . . . . . 417 LYS C . 51786 3 146 . 3 . 2 31 31 LYS CA C 13 59.897 0.03 . . . . . . . 417 LYS CA . 51786 3 147 . 3 . 2 31 31 LYS CB C 13 32.343 0.02 . . . . . . . 417 LYS CB . 51786 3 148 . 3 . 2 31 31 LYS N N 15 122.778 0.02 . . . . . . . 417 LYS N . 51786 3 149 . 3 . 2 32 32 VAL H H 1 8.429 0.00 . . . . . . . 418 VAL H . 51786 3 150 . 3 . 2 32 32 VAL C C 13 177.702 0.00 . . . . . . . 418 VAL C . 51786 3 151 . 3 . 2 32 32 VAL CA C 13 67.477 0.03 . . . . . . . 418 VAL CA . 51786 3 152 . 3 . 2 32 32 VAL CB C 13 30.605 0.01 . . . . . . . 418 VAL CB . 51786 3 153 . 3 . 2 32 32 VAL N N 15 122.703 0.02 . . . . . . . 418 VAL N . 51786 3 154 . 3 . 2 33 33 GLU H H 1 8.686 0.00 . . . . . . . 419 GLU H . 51786 3 155 . 3 . 2 33 33 GLU C C 13 177.950 0.02 . . . . . . . 419 GLU C . 51786 3 156 . 3 . 2 33 33 GLU CA C 13 60.964 0.01 . . . . . . . 419 GLU CA . 51786 3 157 . 3 . 2 33 33 GLU CB C 13 28.884 0.02 . . . . . . . 419 GLU CB . 51786 3 158 . 3 . 2 33 33 GLU N N 15 120.723 0.02 . . . . . . . 419 GLU N . 51786 3 159 . 3 . 2 34 34 THR H H 1 7.832 0.00 . . . . . . . 420 THR H . 51786 3 160 . 3 . 2 34 34 THR C C 13 176.808 0.00 . . . . . . . 420 THR C . 51786 3 161 . 3 . 2 34 34 THR CA C 13 66.962 0.03 . . . . . . . 420 THR CA . 51786 3 162 . 3 . 2 34 34 THR CB C 13 68.883 0.00 . . . . . . . 420 THR CB . 51786 3 163 . 3 . 2 34 34 THR N N 15 114.643 0.02 . . . . . . . 420 THR N . 51786 3 164 . 3 . 2 35 35 VAL H H 1 7.739 0.00 . . . . . . . 421 VAL H . 51786 3 165 . 3 . 2 35 35 VAL C C 13 178.445 0.01 . . . . . . . 421 VAL C . 51786 3 166 . 3 . 2 35 35 VAL CA C 13 66.959 0.04 . . . . . . . 421 VAL CA . 51786 3 167 . 3 . 2 35 35 VAL CB C 13 31.519 0.03 . . . . . . . 421 VAL CB . 51786 3 168 . 3 . 2 35 35 VAL N N 15 123.693 0.02 . . . . . . . 421 VAL N . 51786 3 169 . 3 . 2 36 36 LEU H H 1 8.910 0.00 . . . . . . . 422 LEU H . 51786 3 170 . 3 . 2 36 36 LEU C C 13 178.417 0.01 . . . . . . . 422 LEU C . 51786 3 171 . 3 . 2 36 36 LEU CA C 13 58.224 0.02 . . . . . . . 422 LEU CA . 51786 3 172 . 3 . 2 36 36 LEU CB C 13 43.252 0.02 . . . . . . . 422 LEU CB . 51786 3 173 . 3 . 2 36 36 LEU N N 15 122.052 0.01 . . . . . . . 422 LEU N . 51786 3 174 . 3 . 2 37 37 ASN H H 1 8.610 0.00 . . . . . . . 423 ASN H . 51786 3 175 . 3 . 2 37 37 ASN C C 13 177.197 0.01 . . . . . . . 423 ASN C . 51786 3 176 . 3 . 2 37 37 ASN CA C 13 56.415 0.04 . . . . . . . 423 ASN CA . 51786 3 177 . 3 . 2 37 37 ASN CB C 13 39.369 0.02 . . . . . . . 423 ASN CB . 51786 3 178 . 3 . 2 37 37 ASN N N 15 115.773 0.01 . . . . . . . 423 ASN N . 51786 3 179 . 3 . 2 38 38 LYS H H 1 7.440 0.00 . . . . . . . 424 LYS H . 51786 3 180 . 3 . 2 38 38 LYS C C 13 178.759 0.00 . . . . . . . 424 LYS C . 51786 3 181 . 3 . 2 38 38 LYS CA C 13 57.732 0.05 . . . . . . . 424 LYS CA . 51786 3 182 . 3 . 2 38 38 LYS CB C 13 32.108 0.01 . . . . . . . 424 LYS CB . 51786 3 183 . 3 . 2 38 38 LYS N N 15 116.734 0.01 . . . . . . . 424 LYS N . 51786 3 184 . 3 . 2 39 39 MET H H 1 8.077 0.00 . . . . . . . 425 MET H . 51786 3 185 . 3 . 2 39 39 MET C C 13 176.830 0.01 . . . . . . . 425 MET C . 51786 3 186 . 3 . 2 39 39 MET CA C 13 58.619 0.02 . . . . . . . 425 MET CA . 51786 3 187 . 3 . 2 39 39 MET CB C 13 34.935 0.00 . . . . . . . 425 MET CB . 51786 3 188 . 3 . 2 39 39 MET N N 15 118.395 0.02 . . . . . . . 425 MET N . 51786 3 189 . 3 . 2 40 40 PHE H H 1 7.521 0.00 . . . . . . . 426 PHE H . 51786 3 190 . 3 . 2 40 40 PHE C C 13 174.875 0.01 . . . . . . . 426 PHE C . 51786 3 191 . 3 . 2 40 40 PHE CA C 13 56.616 0.03 . . . . . . . 426 PHE CA . 51786 3 192 . 3 . 2 40 40 PHE CB C 13 38.714 0.00 . . . . . . . 426 PHE CB . 51786 3 193 . 3 . 2 40 40 PHE N N 15 116.185 0.01 . . . . . . . 426 PHE N . 51786 3 194 . 3 . 2 41 41 GLU H H 1 7.746 0.00 . . . . . . . 427 GLU H . 51786 3 195 . 3 . 2 41 41 GLU C C 13 175.949 0.01 . . . . . . . 427 GLU C . 51786 3 196 . 3 . 2 41 41 GLU CA C 13 57.851 0.03 . . . . . . . 427 GLU CA . 51786 3 197 . 3 . 2 41 41 GLU CB C 13 30.465 0.01 . . . . . . . 427 GLU CB . 51786 3 198 . 3 . 2 41 41 GLU N N 15 122.305 0.00 . . . . . . . 427 GLU N . 51786 3 199 . 3 . 2 42 42 LYS H H 1 7.969 0.00 . . . . . . . 428 LYS H . 51786 3 200 . 3 . 2 42 42 LYS C C 13 180.942 0.00 . . . . . . . 428 LYS C . 51786 3 201 . 3 . 2 42 42 LYS CA C 13 57.946 0.02 . . . . . . . 428 LYS CA . 51786 3 202 . 3 . 2 42 42 LYS CB C 13 33.773 0.00 . . . . . . . 428 LYS CB . 51786 3 203 . 3 . 2 42 42 LYS N N 15 125.226 0.00 . . . . . . . 428 LYS N . 51786 3 stop_ save_