################################### # 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 31177 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 . _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 '3D HNCACB' . . . 31177 1 2 '3D CBCA(CO)NH' . . . 31177 1 3 '3D HNCACB' . . . 31177 1 4 '3D CBCA(CO)NH' . . . 31177 1 5 '2D 1H-15N HSQC' . . . 31177 1 6 '2D 1H-15N HSQC' . . . 31177 1 7 '3D HNCACB' . . . 31177 1 8 '3D HNCA' . . . 31177 1 9 '2D 1H-15N HSQC' . . . 31177 1 10 '2D 1H-15N HSQC' . . . 31177 1 11 '3D HNCA' . . . 31177 1 12 '2D 1H-13C HSQC' . . . 31177 1 13 '2D 1H-13C HSQC' . . . 31177 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 VAL CA C 13 62.1042 0.0000 . 1 . . . . A 411 VAL CA . 31177 1 2 . 1 . 1 3 3 ASP H H 1 8.5316 0.0000 . 1 . . . . A 412 ASP H . 31177 1 3 . 1 . 1 3 3 ASP CA C 13 51.9199 0.0000 . 1 . . . . A 412 ASP CA . 31177 1 4 . 1 . 1 3 3 ASP N N 15 126.5359 0.0000 . 1 . . . . A 412 ASP N . 31177 1 5 . 1 . 1 4 4 PRO CA C 13 63.9186 0.0000 . 1 . . . . A 413 PRO CA . 31177 1 6 . 1 . 1 4 4 PRO CB C 13 31.2086 0.0000 . 1 . . . . A 413 PRO CB . 31177 1 7 . 1 . 1 5 5 ASN H H 1 8.5038 0.0000 . 1 . . . . A 414 ASN H . 31177 1 8 . 1 . 1 5 5 ASN CA C 13 53.9681 0.0000 . 1 . . . . A 414 ASN CA . 31177 1 9 . 1 . 1 5 5 ASN CB C 13 37.6397 0.0000 . 1 . . . . A 414 ASN CB . 31177 1 10 . 1 . 1 5 5 ASN N N 15 117.2551 0.0000 . 1 . . . . A 414 ASN N . 31177 1 11 . 1 . 1 6 6 ARG H H 1 7.8761 0.0000 . 1 . . . . A 415 ARG H . 31177 1 12 . 1 . 1 6 6 ARG CA C 13 56.4997 0.0000 . 1 . . . . A 415 ARG CA . 31177 1 13 . 1 . 1 6 6 ARG CB C 13 29.5964 0.0000 . 1 . . . . A 415 ARG CB . 31177 1 14 . 1 . 1 6 6 ARG N N 15 120.8663 0.0000 . 1 . . . . A 415 ARG N . 31177 1 15 . 1 . 1 7 7 ALA H H 1 8.1669 0.0000 . 1 . . . . A 416 ALA H . 31177 1 16 . 1 . 1 7 7 ALA CA C 13 53.3015 0.0000 . 1 . . . . A 416 ALA CA . 31177 1 17 . 1 . 1 7 7 ALA CB C 13 18.0410 0.0000 . 1 . . . . A 416 ALA CB . 31177 1 18 . 1 . 1 7 7 ALA N N 15 124.6472 0.0000 . 1 . . . . A 416 ALA N . 31177 1 19 . 1 . 1 8 8 ALA H H 1 8.1594 0.0000 . 1 . . . . A 417 ALA H . 31177 1 20 . 1 . 1 8 8 ALA CA C 13 53.1899 0.0000 . 1 . . . . A 417 ALA CA . 31177 1 21 . 1 . 1 8 8 ALA CB C 13 18.1298 0.0000 . 1 . . . . A 417 ALA CB . 31177 1 22 . 1 . 1 8 8 ALA N N 15 122.5732 0.0000 . 1 . . . . A 417 ALA N . 31177 1 23 . 1 . 1 9 9 GLU H H 1 8.1554 0.0000 . 1 . . . . A 418 GLU H . 31177 1 24 . 1 . 1 9 9 GLU CA C 13 56.9317 0.0000 . 1 . . . . A 418 GLU CA . 31177 1 25 . 1 . 1 9 9 GLU CB C 13 29.2736 0.0000 . 1 . . . . A 418 GLU CB . 31177 1 26 . 1 . 1 9 9 GLU N N 15 119.0486 0.0000 . 1 . . . . A 418 GLU N . 31177 1 27 . 1 . 1 10 10 ALA H H 1 8.1989 0.0000 . 1 . . . . A 419 ALA H . 31177 1 28 . 1 . 1 10 10 ALA CA C 13 53.0586 0.0000 . 1 . . . . A 419 ALA CA . 31177 1 29 . 1 . 1 10 10 ALA CB C 13 19.3067 0.0000 . 1 . . . . A 419 ALA CB . 31177 1 30 . 1 . 1 10 10 ALA N N 15 124.9307 0.0000 . 1 . . . . A 419 ALA N . 31177 1 31 . 1 . 1 11 11 ARG H H 1 8.1013 0.0000 . 1 . . . . A 420 ARG H . 31177 1 32 . 1 . 1 11 11 ARG CA C 13 55.1394 0.0000 . 1 . . . . A 420 ARG CA . 31177 1 33 . 1 . 1 11 11 ARG CB C 13 29.9412 0.0000 . 1 . . . . A 420 ARG CB . 31177 1 34 . 1 . 1 11 11 ARG N N 15 119.8699 0.0000 . 1 . . . . A 420 ARG N . 31177 1 35 . 1 . 1 12 12 TRP H H 1 8.1563 0.0000 . 1 . . . . A 421 TRP H . 31177 1 36 . 1 . 1 12 12 TRP CA C 13 57.7214 0.0000 . 1 . . . . A 421 TRP CA . 31177 1 37 . 1 . 1 12 12 TRP CB C 13 28.4673 0.0000 . 1 . . . . A 421 TRP CB . 31177 1 38 . 1 . 1 12 12 TRP N N 15 122.0962 0.0000 . 1 . . . . A 421 TRP N . 31177 1 39 . 1 . 1 13 13 ASP H H 1 8.1855 0.0000 . 1 . . . . A 422 ASP H . 31177 1 40 . 1 . 1 13 13 ASP CA C 13 54.8626 0.0000 . 1 . . . . A 422 ASP CA . 31177 1 41 . 1 . 1 13 13 ASP CB C 13 39.7316 0.0000 . 1 . . . . A 422 ASP CB . 31177 1 42 . 1 . 1 13 13 ASP N N 15 121.7060 0.0000 . 1 . . . . A 422 ASP N . 31177 1 43 . 1 . 1 14 14 GLU H H 1 8.1290 0.0000 . 1 . . . . A 423 GLU H . 31177 1 44 . 1 . 1 14 14 GLU CA C 13 57.6876 0.0000 . 1 . . . . A 423 GLU CA . 31177 1 45 . 1 . 1 14 14 GLU CB C 13 29.0757 0.0000 . 1 . . . . A 423 GLU CB . 31177 1 46 . 1 . 1 14 14 GLU N N 15 121.8075 0.0000 . 1 . . . . A 423 GLU N . 31177 1 47 . 1 . 1 15 15 ALA H H 1 8.1569 0.0000 . 1 . . . . A 424 ALA H . 31177 1 48 . 1 . 1 15 15 ALA CA C 13 53.1887 0.0000 . 1 . . . . A 424 ALA CA . 31177 1 49 . 1 . 1 15 15 ALA CB C 13 18.0177 0.0000 . 1 . . . . A 424 ALA CB . 31177 1 50 . 1 . 1 15 15 ALA N N 15 123.8425 0.0000 . 1 . . . . A 424 ALA N . 31177 1 51 . 1 . 1 16 16 SER H H 1 8.0605 0.0000 . 1 . . . . A 425 SER H . 31177 1 52 . 1 . 1 16 16 SER CA C 13 58.7074 0.0000 . 1 . . . . A 425 SER CA . 31177 1 53 . 1 . 1 16 16 SER CB C 13 62.7047 0.0000 . 1 . . . . A 425 SER CB . 31177 1 54 . 1 . 1 16 16 SER N N 15 113.8987 0.0000 . 1 . . . . A 425 SER N . 31177 1 55 . 1 . 1 17 17 ASN H H 1 8.2586 0.0000 . 1 . . . . A 426 ASN H . 31177 1 56 . 1 . 1 17 17 ASN CA C 13 53.5344 0.0000 . 1 . . . . A 426 ASN CA . 31177 1 57 . 1 . 1 17 17 ASN CB C 13 37.7532 0.0000 . 1 . . . . A 426 ASN CB . 31177 1 58 . 1 . 1 17 17 ASN N N 15 120.4936 0.0000 . 1 . . . . A 426 ASN N . 31177 1 59 . 1 . 1 18 18 VAL H H 1 7.9551 0.0000 . 1 . . . . A 427 VAL H . 31177 1 60 . 1 . 1 18 18 VAL CA C 13 62.5656 0.0000 . 1 . . . . A 427 VAL CA . 31177 1 61 . 1 . 1 18 18 VAL CB C 13 31.7844 0.0000 . 1 . . . . A 427 VAL CB . 31177 1 62 . 1 . 1 18 18 VAL N N 15 119.4545 0.0000 . 1 . . . . A 427 VAL N . 31177 1 63 . 1 . 1 19 19 THR H H 1 8.2234 0.0000 . 1 . . . . A 428 THR H . 31177 1 64 . 1 . 1 19 19 THR CA C 13 62.2551 0.0000 . 1 . . . . A 428 THR CA . 31177 1 65 . 1 . 1 19 19 THR CB C 13 68.8290 0.0000 . 1 . . . . A 428 THR CB . 31177 1 66 . 1 . 1 19 19 THR N N 15 118.1989 0.0000 . 1 . . . . A 428 THR N . 31177 1 67 . 1 . 1 20 20 ILE H H 1 8.1390 0.0000 . 1 . . . . A 429 ILE H . 31177 1 68 . 1 . 1 20 20 ILE CA C 13 61.0835 0.0000 . 1 . . . . A 429 ILE CA . 31177 1 69 . 1 . 1 20 20 ILE CB C 13 37.6432 0.0000 . 1 . . . . A 429 ILE CB . 31177 1 70 . 1 . 1 20 20 ILE N N 15 123.9943 0.0000 . 1 . . . . A 429 ILE N . 31177 1 71 . 1 . 1 21 21 LYS H H 1 8.4018 0.0000 . 1 . . . . A 430 LYS H . 31177 1 72 . 1 . 1 21 21 LYS CA C 13 56.1193 0.0000 . 1 . . . . A 430 LYS CA . 31177 1 73 . 1 . 1 21 21 LYS CB C 13 32.4479 0.0000 . 1 . . . . A 430 LYS CB . 31177 1 74 . 1 . 1 21 21 LYS N N 15 126.1829 0.0000 . 1 . . . . A 430 LYS N . 31177 1 75 . 1 . 1 22 22 VAL H H 1 8.2812 0.0000 . 1 . . . . A 431 VAL H . 31177 1 76 . 1 . 1 22 22 VAL CA C 13 62.2874 0.0000 . 1 . . . . A 431 VAL CA . 31177 1 77 . 1 . 1 22 22 VAL CB C 13 33.2392 0.0000 . 1 . . . . A 431 VAL CB . 31177 1 78 . 1 . 1 22 22 VAL N N 15 121.7534 0.0000 . 1 . . . . A 431 VAL N . 31177 1 79 . 1 . 1 23 23 SER CA C 13 57.7211 0.0000 . 1 . . . . A 432 SER CA . 31177 1 80 . 1 . 1 23 23 SER CB C 13 63.3278 0.0000 . 1 . . . . A 432 SER CB . 31177 1 81 . 1 . 1 24 24 THR H H 1 7.9332 0.0000 . 1 . . . . A 433 THR H . 31177 1 82 . 1 . 1 24 24 THR CA C 13 60.6039 0.0000 . 1 . . . . A 433 THR CA . 31177 1 83 . 1 . 1 24 24 THR CB C 13 71.2238 0.0000 . 1 . . . . A 433 THR CB . 31177 1 84 . 1 . 1 24 24 THR N N 15 114.3298 0.0000 . 1 . . . . A 433 THR N . 31177 1 85 . 1 . 1 25 25 LYS H H 1 8.8920 0.0000 . 1 . . . . A 434 LYS H . 31177 1 86 . 1 . 1 25 25 LYS CA C 13 54.5322 0.0000 . 1 . . . . A 434 LYS CA . 31177 1 87 . 1 . 1 25 25 LYS CB C 13 37.0751 0.0000 . 1 . . . . A 434 LYS CB . 31177 1 88 . 1 . 1 25 25 LYS N N 15 122.0197 0.0000 . 1 . . . . A 434 LYS N . 31177 1 89 . 1 . 1 26 26 PRO CA C 13 60.2590 0.0000 . 1 . . . . A 435 PRO CA . 31177 1 90 . 1 . 1 26 26 PRO CB C 13 30.0868 0.0000 . 1 . . . . A 435 PRO CB . 31177 1 91 . 1 . 1 27 27 CYS H H 1 7.7529 0.0000 . 1 . . . . A 436 CYS H . 31177 1 92 . 1 . 1 27 27 CYS CA C 13 54.7302 0.0000 . 1 . . . . A 436 CYS CA . 31177 1 93 . 1 . 1 27 27 CYS CB C 13 31.6587 0.0000 . 1 . . . . A 436 CYS CB . 31177 1 94 . 1 . 1 27 27 CYS N N 15 125.0419 0.0000 . 1 . . . . A 436 CYS N . 31177 1 95 . 1 . 1 28 28 PRO CA C 13 64.1266 0.0000 . 1 . . . . A 437 PRO CA . 31177 1 96 . 1 . 1 28 28 PRO CB C 13 31.4594 0.0000 . 1 . . . . A 437 PRO CB . 31177 1 97 . 1 . 1 29 29 LYS H H 1 8.3205 0.0000 . 1 . . . . A 438 LYS H . 31177 1 98 . 1 . 1 29 29 LYS CA C 13 57.8276 0.0000 . 1 . . . . A 438 LYS CA . 31177 1 99 . 1 . 1 29 29 LYS CB C 13 32.0663 0.0000 . 1 . . . . A 438 LYS CB . 31177 1 100 . 1 . 1 29 29 LYS N N 15 118.6086 0.0000 . 1 . . . . A 438 LYS N . 31177 1 101 . 1 . 1 30 30 CYS H H 1 8.4105 0.0000 . 1 . . . . A 439 CYS H . 31177 1 102 . 1 . 1 30 30 CYS CA C 13 59.4877 0.0000 . 1 . . . . A 439 CYS CA . 31177 1 103 . 1 . 1 30 30 CYS CB C 13 30.2266 0.0000 . 1 . . . . A 439 CYS CB . 31177 1 104 . 1 . 1 30 30 CYS N N 15 119.0736 0.0000 . 1 . . . . A 439 CYS N . 31177 1 105 . 1 . 1 31 31 ARG H H 1 8.0881 0.0000 . 1 . . . . A 440 ARG H . 31177 1 106 . 1 . 1 31 31 ARG CA C 13 56.8071 0.0000 . 1 . . . . A 440 ARG CA . 31177 1 107 . 1 . 1 31 31 ARG CB C 13 25.0445 0.0000 . 1 . . . . A 440 ARG CB . 31177 1 108 . 1 . 1 31 31 ARG N N 15 116.9081 0.0000 . 1 . . . . A 440 ARG N . 31177 1 109 . 1 . 1 32 32 THR H H 1 8.6376 0.0000 . 1 . . . . A 441 THR H . 31177 1 110 . 1 . 1 32 32 THR CA C 13 63.3606 0.0000 . 1 . . . . A 441 THR CA . 31177 1 111 . 1 . 1 32 32 THR CB C 13 69.0252 0.0000 . 1 . . . . A 441 THR CB . 31177 1 112 . 1 . 1 32 32 THR N N 15 122.2319 0.0000 . 1 . . . . A 441 THR N . 31177 1 113 . 1 . 1 33 33 PRO CA C 13 64.2076 0.0000 . 1 . . . . A 442 PRO CA . 31177 1 114 . 1 . 1 33 33 PRO CB C 13 30.8490 0.0000 . 1 . . . . A 442 PRO CB . 31177 1 115 . 1 . 1 34 34 THR H H 1 9.0398 0.0000 . 1 . . . . A 443 THR H . 31177 1 116 . 1 . 1 34 34 THR CA C 13 62.4683 0.0000 . 1 . . . . A 443 THR CA . 31177 1 117 . 1 . 1 34 34 THR CB C 13 70.2480 0.0000 . 1 . . . . A 443 THR CB . 31177 1 118 . 1 . 1 34 34 THR N N 15 122.6189 0.0000 . 1 . . . . A 443 THR N . 31177 1 119 . 1 . 1 35 35 GLU H H 1 8.7336 0.0000 . 1 . . . . A 444 GLU H . 31177 1 120 . 1 . 1 35 35 GLU CA C 13 55.1979 0.0000 . 1 . . . . A 444 GLU CA . 31177 1 121 . 1 . 1 35 35 GLU CB C 13 30.6721 0.0000 . 1 . . . . A 444 GLU CB . 31177 1 122 . 1 . 1 35 35 GLU N N 15 126.2278 0.0000 . 1 . . . . A 444 GLU N . 31177 1 123 . 1 . 1 36 36 ARG H H 1 8.1740 0.0000 . 1 . . . . A 445 ARG H . 31177 1 124 . 1 . 1 36 36 ARG CA C 13 52.2778 0.0000 . 1 . . . . A 445 ARG CA . 31177 1 125 . 1 . 1 36 36 ARG CB C 13 31.9053 0.0000 . 1 . . . . A 445 ARG CB . 31177 1 126 . 1 . 1 36 36 ARG N N 15 124.1264 0.0000 . 1 . . . . A 445 ARG N . 31177 1 127 . 1 . 1 37 37 ASP H H 1 8.5462 0.0000 . 1 . . . . A 446 ASP H . 31177 1 128 . 1 . 1 37 37 ASP CA C 13 51.9560 0.0000 . 1 . . . . A 446 ASP CA . 31177 1 129 . 1 . 1 37 37 ASP CB C 13 40.2530 0.0000 . 1 . . . . A 446 ASP CB . 31177 1 130 . 1 . 1 37 37 ASP N N 15 126.7400 0.0000 . 1 . . . . A 446 ASP N . 31177 1 131 . 1 . 1 38 38 GLY H H 1 8.1086 0.0000 . 1 . . . . A 447 GLY H . 31177 1 132 . 1 . 1 38 38 GLY CA C 13 45.3020 0.0000 . 1 . . . . A 447 GLY CA . 31177 1 133 . 1 . 1 38 38 GLY N N 15 111.4917 0.0000 . 1 . . . . A 447 GLY N . 31177 1 134 . 1 . 1 39 39 GLY H H 1 8.4281 0.0000 . 1 . . . . A 448 GLY H . 31177 1 135 . 1 . 1 39 39 GLY CA C 13 44.1181 0.0000 . 1 . . . . A 448 GLY CA . 31177 1 136 . 1 . 1 39 39 GLY N N 15 109.8927 0.0000 . 1 . . . . A 448 GLY N . 31177 1 137 . 1 . 1 40 40 CYS H H 1 7.8178 0.0000 . 1 . . . . A 449 CYS H . 31177 1 138 . 1 . 1 40 40 CYS CA C 13 59.5259 0.0000 . 1 . . . . A 449 CYS CA . 31177 1 139 . 1 . 1 40 40 CYS CB C 13 28.0091 0.0000 . 1 . . . . A 449 CYS CB . 31177 1 140 . 1 . 1 40 40 CYS N N 15 120.4854 0.0000 . 1 . . . . A 449 CYS N . 31177 1 141 . 1 . 1 41 41 MET CA C 13 54.1776 0.0000 . 1 . . . . A 450 MET CA . 31177 1 142 . 1 . 1 41 41 MET CB C 13 33.1009 0.0000 . 1 . . . . A 450 MET CB . 31177 1 143 . 1 . 1 42 42 HIS H H 1 7.5602 0.0000 . 1 . . . . A 451 HIS H . 31177 1 144 . 1 . 1 42 42 HIS CA C 13 53.8838 0.0000 . 1 . . . . A 451 HIS CA . 31177 1 145 . 1 . 1 42 42 HIS CB C 13 26.9363 0.0000 . 1 . . . . A 451 HIS CB . 31177 1 146 . 1 . 1 42 42 HIS N N 15 119.8436 0.0000 . 1 . . . . A 451 HIS N . 31177 1 147 . 1 . 1 43 43 MET H H 1 9.1097 0.0000 . 1 . . . . A 452 MET H . 31177 1 148 . 1 . 1 43 43 MET CA C 13 52.7782 0.0000 . 1 . . . . A 452 MET CA . 31177 1 149 . 1 . 1 43 43 MET CB C 13 28.1846 0.0000 . 1 . . . . A 452 MET CB . 31177 1 150 . 1 . 1 43 43 MET N N 15 128.5579 0.0000 . 1 . . . . A 452 MET N . 31177 1 151 . 1 . 1 44 44 VAL H H 1 8.0485 0.0000 . 1 . . . . A 453 VAL H . 31177 1 152 . 1 . 1 44 44 VAL CA C 13 60.5507 0.0000 . 1 . . . . A 453 VAL CA . 31177 1 153 . 1 . 1 44 44 VAL CB C 13 32.0303 0.0000 . 1 . . . . A 453 VAL CB . 31177 1 154 . 1 . 1 44 44 VAL N N 15 121.8106 0.0000 . 1 . . . . A 453 VAL N . 31177 1 155 . 1 . 1 45 45 CYS H H 1 8.9974 0.0000 . 1 . . . . A 454 CYS H . 31177 1 156 . 1 . 1 45 45 CYS CA C 13 60.7035 0.0000 . 1 . . . . A 454 CYS CA . 31177 1 157 . 1 . 1 45 45 CYS CB C 13 32.2870 0.0000 . 1 . . . . A 454 CYS CB . 31177 1 158 . 1 . 1 45 45 CYS N N 15 130.3033 0.0000 . 1 . . . . A 454 CYS N . 31177 1 159 . 1 . 1 46 46 THR H H 1 8.5150 0.0000 . 1 . . . . A 455 THR H . 31177 1 160 . 1 . 1 46 46 THR CA C 13 61.5739 0.0000 . 1 . . . . A 455 THR CA . 31177 1 161 . 1 . 1 46 46 THR CB C 13 68.3340 0.0000 . 1 . . . . A 455 THR CB . 31177 1 162 . 1 . 1 46 46 THR N N 15 118.9500 0.0000 . 1 . . . . A 455 THR N . 31177 1 163 . 1 . 1 47 47 ARG H H 1 9.0302 0.0000 . 1 . . . . A 456 ARG H . 31177 1 164 . 1 . 1 47 47 ARG CA C 13 57.2327 0.0000 . 1 . . . . A 456 ARG CA . 31177 1 165 . 1 . 1 47 47 ARG CB C 13 29.1060 0.0000 . 1 . . . . A 456 ARG CB . 31177 1 166 . 1 . 1 47 47 ARG N N 15 128.6300 0.0000 . 1 . . . . A 456 ARG N . 31177 1 167 . 1 . 1 48 48 ALA H H 1 9.0024 0.0000 . 1 . . . . A 457 ALA H . 31177 1 168 . 1 . 1 48 48 ALA CA C 13 54.2828 0.0000 . 1 . . . . A 457 ALA CA . 31177 1 169 . 1 . 1 48 48 ALA CB C 13 16.8758 0.0000 . 1 . . . . A 457 ALA CB . 31177 1 170 . 1 . 1 48 48 ALA N N 15 132.7264 0.0000 . 1 . . . . A 457 ALA N . 31177 1 171 . 1 . 1 49 49 GLY H H 1 8.8326 0.0000 . 1 . . . . A 458 GLY H . 31177 1 172 . 1 . 1 49 49 GLY CA C 13 45.6834 0.0000 . 1 . . . . A 458 GLY CA . 31177 1 173 . 1 . 1 49 49 GLY N N 15 111.4010 0.0000 . 1 . . . . A 458 GLY N . 31177 1 174 . 1 . 1 50 50 CYS H H 1 8.0835 0.0000 . 1 . . . . A 459 CYS H . 31177 1 175 . 1 . 1 50 50 CYS CA C 13 60.7366 0.0000 . 1 . . . . A 459 CYS CA . 31177 1 176 . 1 . 1 50 50 CYS CB C 13 30.2843 0.0000 . 1 . . . . A 459 CYS CB . 31177 1 177 . 1 . 1 50 50 CYS N N 15 123.1498 0.0000 . 1 . . . . A 459 CYS N . 31177 1 178 . 1 . 1 51 51 GLY H H 1 7.6003 0.0000 . 1 . . . . A 460 GLY H . 31177 1 179 . 1 . 1 51 51 GLY CA C 13 46.4160 0.0000 . 1 . . . . A 460 GLY CA . 31177 1 180 . 1 . 1 51 51 GLY N N 15 109.67 0.0000 . 1 . . . . A 460 GLY N . 31177 1 181 . 1 . 1 52 52 PHE H H 1 8.8903 0.0000 . 1 . . . . A 461 PHE H . 31177 1 182 . 1 . 1 52 52 PHE CA C 13 60.4754 0.0000 . 1 . . . . A 461 PHE CA . 31177 1 183 . 1 . 1 52 52 PHE CB C 13 37.8794 0.0000 . 1 . . . . A 461 PHE CB . 31177 1 184 . 1 . 1 52 52 PHE N N 15 124.7124 0.0000 . 1 . . . . A 461 PHE N . 31177 1 185 . 1 . 1 53 53 GLU H H 1 7.7650 0.0000 . 1 . . . . A 462 GLU H . 31177 1 186 . 1 . 1 53 53 GLU CA C 13 57.0388 0.0000 . 1 . . . . A 462 GLU CA . 31177 1 187 . 1 . 1 53 53 GLU CB C 13 30.1638 0.0000 . 1 . . . . A 462 GLU CB . 31177 1 188 . 1 . 1 53 53 GLU N N 15 125.6631 0.0000 . 1 . . . . A 462 GLU N . 31177 1 189 . 1 . 1 54 54 TRP H H 1 9.0886 0.0000 . 1 . . . . A 463 TRP H . 31177 1 190 . 1 . 1 54 54 TRP CA C 13 54.1482 0.0000 . 1 . . . . A 463 TRP CA . 31177 1 191 . 1 . 1 54 54 TRP CB C 13 31.9285 0.0000 . 1 . . . . A 463 TRP CB . 31177 1 192 . 1 . 1 54 54 TRP N N 15 120.9270 0.0000 . 1 . . . . A 463 TRP N . 31177 1 193 . 1 . 1 55 55 CYS H H 1 8.8409 0.0000 . 1 . . . . A 464 CYS H . 31177 1 194 . 1 . 1 55 55 CYS CA C 13 58.0688 0.0000 . 1 . . . . A 464 CYS CA . 31177 1 195 . 1 . 1 55 55 CYS CB C 13 31.7778 0.0000 . 1 . . . . A 464 CYS CB . 31177 1 196 . 1 . 1 55 55 CYS N N 15 120.8711 0.0000 . 1 . . . . A 464 CYS N . 31177 1 197 . 1 . 1 56 56 TRP H H 1 9.8119 0.0000 . 1 . . . . A 465 TRP H . 31177 1 198 . 1 . 1 56 56 TRP CA C 13 60.2925 0.0000 . 1 . . . . A 465 TRP CA . 31177 1 199 . 1 . 1 56 56 TRP CB C 13 30.2063 0.0000 . 1 . . . . A 465 TRP CB . 31177 1 200 . 1 . 1 56 56 TRP N N 15 131.0878 0.0000 . 1 . . . . A 465 TRP N . 31177 1 201 . 1 . 1 57 57 VAL H H 1 8.6532 0.0000 . 1 . . . . A 466 VAL H . 31177 1 202 . 1 . 1 57 57 VAL CA C 13 65.7248 0.0000 . 1 . . . . A 466 VAL CA . 31177 1 203 . 1 . 1 57 57 VAL CB C 13 33.3570 0.0000 . 1 . . . . A 466 VAL CB . 31177 1 204 . 1 . 1 57 57 VAL N N 15 118.4302 0.0000 . 1 . . . . A 466 VAL N . 31177 1 205 . 1 . 1 59 59 GLN H H 1 6.8847 0.0000 . 1 . . . . A 468 GLN H . 31177 1 206 . 1 . 1 59 59 GLN CA C 13 58.4757 0.0000 . 1 . . . . A 468 GLN CA . 31177 1 207 . 1 . 1 59 59 GLN N N 15 118.4633 0.0000 . 1 . . . . A 468 GLN N . 31177 1 208 . 1 . 1 60 60 THR H H 1 7.0891 0.0000 . 1 . . . . A 469 THR H . 31177 1 209 . 1 . 1 60 60 THR CA C 13 59.2578 0.0000 . 1 . . . . A 469 THR CA . 31177 1 210 . 1 . 1 60 60 THR CB C 13 71.3018 0.0000 . 1 . . . . A 469 THR CB . 31177 1 211 . 1 . 1 60 60 THR N N 15 130.7824 0.0000 . 1 . . . . A 469 THR N . 31177 1 212 . 1 . 1 61 61 GLU H H 1 8.9044 0.0000 . 1 . . . . A 470 GLU H . 31177 1 213 . 1 . 1 61 61 GLU CA C 13 56.9816 0.0000 . 1 . . . . A 470 GLU CA . 31177 1 214 . 1 . 1 61 61 GLU CB C 13 29.9431 0.0000 . 1 . . . . A 470 GLU CB . 31177 1 215 . 1 . 1 61 61 GLU N N 15 121.1851 0.0000 . 1 . . . . A 470 GLU N . 31177 1 216 . 1 . 1 62 62 TRP H H 1 8.3988 0.0000 . 1 . . . . A 471 TRP H . 31177 1 217 . 1 . 1 62 62 TRP CA C 13 58.5623 0.0000 . 1 . . . . A 471 TRP CA . 31177 1 218 . 1 . 1 62 62 TRP N N 15 126.8837 0.0000 . 1 . . . . A 471 TRP N . 31177 1 219 . 1 . 1 63 63 THR H H 1 8.0614 0.0000 . 1 . . . . A 472 THR H . 31177 1 220 . 1 . 1 63 63 THR CA C 13 65.2502 0.0000 . 1 . . . . A 472 THR CA . 31177 1 221 . 1 . 1 63 63 THR N N 15 117.3112 0.0000 . 1 . . . . A 472 THR N . 31177 1 222 . 1 . 1 64 64 ARG H H 1 8.5178 0.0000 . 1 . . . . A 473 ARG H . 31177 1 223 . 1 . 1 64 64 ARG CA C 13 58.5380 0.0000 . 1 . . . . A 473 ARG CA . 31177 1 224 . 1 . 1 64 64 ARG CB C 13 28.6142 0.0000 . 1 . . . . A 473 ARG CB . 31177 1 225 . 1 . 1 64 64 ARG N N 15 118.9142 0.0000 . 1 . . . . A 473 ARG N . 31177 1 226 . 1 . 1 65 65 ASP H H 1 7.7370 0.0000 . 1 . . . . A 474 ASP H . 31177 1 227 . 1 . 1 65 65 ASP CA C 13 56.9229 0.0000 . 1 . . . . A 474 ASP CA . 31177 1 228 . 1 . 1 65 65 ASP CB C 13 39.4152 0.0000 . 1 . . . . A 474 ASP CB . 31177 1 229 . 1 . 1 65 65 ASP N N 15 119.5964 0.0000 . 1 . . . . A 474 ASP N . 31177 1 230 . 1 . 1 66 66 CYS H H 1 6.9893 0.0000 . 1 . . . . A 475 CYS H . 31177 1 231 . 1 . 1 66 66 CYS CA C 13 64.6662 0.0000 . 1 . . . . A 475 CYS CA . 31177 1 232 . 1 . 1 66 66 CYS CB C 13 29.1423 0.0000 . 1 . . . . A 475 CYS CB . 31177 1 233 . 1 . 1 66 66 CYS N N 15 120.6912 0.0000 . 1 . . . . A 475 CYS N . 31177 1 234 . 1 . 1 67 67 MET CA C 13 58.0490 0.0000 . 1 . . . . A 476 MET CA . 31177 1 235 . 1 . 1 68 68 GLY H H 1 9.1526 0.0000 . 1 . . . . A 477 GLY H . 31177 1 236 . 1 . 1 68 68 GLY CA C 13 45.9046 0.0000 . 1 . . . . A 477 GLY CA . 31177 1 237 . 1 . 1 68 68 GLY N N 15 112.2792 0.0000 . 1 . . . . A 477 GLY N . 31177 1 238 . 1 . 1 69 69 ALA H H 1 7.3059 0.0000 . 1 . . . . A 478 ALA H . 31177 1 239 . 1 . 1 69 69 ALA CA C 13 53.5304 0.0000 . 1 . . . . A 478 ALA CA . 31177 1 240 . 1 . 1 69 69 ALA CB C 13 18.2644 0.0000 . 1 . . . . A 478 ALA CB . 31177 1 241 . 1 . 1 69 69 ALA N N 15 121.3170 0.0000 . 1 . . . . A 478 ALA N . 31177 1 242 . 1 . 1 70 70 HIS H H 1 8.1825 0.0000 . 1 . . . . A 479 HIS H . 31177 1 243 . 1 . 1 70 70 HIS CA C 13 58.2286 0.0000 . 1 . . . . A 479 HIS CA . 31177 1 244 . 1 . 1 70 70 HIS CB C 13 30.24 0.0000 . 1 . . . . A 479 HIS CB . 31177 1 245 . 1 . 1 70 70 HIS N N 15 115.3832 0.0000 . 1 . . . . A 479 HIS N . 31177 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 31177 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 . _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 '3D HNCACB' . . . 31177 2 2 '3D CBCA(CO)NH' . . . 31177 2 3 '3D HNCACB' . . . 31177 2 4 '3D CBCA(CO)NH' . . . 31177 2 5 '2D 1H-15N HSQC' . . . 31177 2 6 '2D 1H-15N HSQC' . . . 31177 2 7 '3D HNCACB' . . . 31177 2 8 '3D HNCA' . . . 31177 2 9 '2D 1H-15N HSQC' . . . 31177 2 10 '2D 1H-15N HSQC' . . . 31177 2 11 '3D HNCA' . . . 31177 2 12 '2D 1H-13C HSQC' . . . 31177 2 13 '2D 1H-13C HSQC' . . . 31177 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 . 2 . 2 1 1 MET CA C 13 54.6327 0.0000 . 1 . . . . . 1 MET CA . 31177 2 2 . 2 . 2 1 1 MET CB C 13 33.2233 0.0000 . 1 . . . . . 1 MET CB . 31177 2 3 . 2 . 2 2 2 GLN H H 1 8.9534 0.0000 . 1 . . . . . 2 GLN H . 31177 2 4 . 2 . 2 2 2 GLN CA C 13 54.9365 0.0000 . 1 . . . . . 2 GLN CA . 31177 2 5 . 2 . 2 2 2 GLN CB C 13 30.5645 0.0000 . 1 . . . . . 2 GLN CB . 31177 2 6 . 2 . 2 2 2 GLN N N 15 123.0011 0.0000 . 1 . . . . . 2 GLN N . 31177 2 7 . 2 . 2 3 3 ILE H H 1 8.3295 0.0000 . 1 . . . . . 3 ILE H . 31177 2 8 . 2 . 2 3 3 ILE CA C 13 59.5998 0.0000 . 1 . . . . . 3 ILE CA . 31177 2 9 . 2 . 2 3 3 ILE CB C 13 42.1238 0.0000 . 1 . . . . . 3 ILE CB . 31177 2 10 . 2 . 2 3 3 ILE N N 15 115.2145 0.0000 . 1 . . . . . 3 ILE N . 31177 2 11 . 2 . 2 4 4 PHE H H 1 8.6433 0.0000 . 1 . . . . . 4 PHE H . 31177 2 12 . 2 . 2 4 4 PHE CA C 13 55.1507 0.0000 . 1 . . . . . 4 PHE CA . 31177 2 13 . 2 . 2 4 4 PHE CB C 13 41.5354 0.0000 . 1 . . . . . 4 PHE CB . 31177 2 14 . 2 . 2 4 4 PHE N N 15 118.7759 0.0000 . 1 . . . . . 4 PHE N . 31177 2 15 . 2 . 2 5 5 VAL H H 1 9.3113 0.0000 . 1 . . . . . 5 VAL H . 31177 2 16 . 2 . 2 5 5 VAL CA C 13 60.6321 0.0000 . 1 . . . . . 5 VAL CA . 31177 2 17 . 2 . 2 5 5 VAL N N 15 121.3094 0.0000 . 1 . . . . . 5 VAL N . 31177 2 18 . 2 . 2 6 6 LYS H H 1 8.9860 0.0000 . 1 . . . . . 6 LYS H . 31177 2 19 . 2 . 2 6 6 LYS CA C 13 54.7653 0.0000 . 1 . . . . . 6 LYS CA . 31177 2 20 . 2 . 2 6 6 LYS CB C 13 34.6272 0.0000 . 1 . . . . . 6 LYS CB . 31177 2 21 . 2 . 2 6 6 LYS N N 15 128.0508 0.0000 . 1 . . . . . 6 LYS N . 31177 2 22 . 2 . 2 7 7 THR H H 1 8.7591 0.0000 . 1 . . . . . 7 THR H . 31177 2 23 . 2 . 2 7 7 THR CA C 13 60.6286 0.0000 . 1 . . . . . 7 THR CA . 31177 2 24 . 2 . 2 7 7 THR N N 15 115.4485 0.0000 . 1 . . . . . 7 THR N . 31177 2 25 . 2 . 2 8 8 LEU CB C 13 41.9476 0.0000 . 1 . . . . . 8 LEU CB . 31177 2 26 . 2 . 2 9 9 THR H H 1 7.6493 0.0000 . 1 . . . . . 9 THR H . 31177 2 27 . 2 . 2 9 9 THR CA C 13 61.4826 0.0000 . 1 . . . . . 9 THR CA . 31177 2 28 . 2 . 2 9 9 THR CB C 13 69.0853 0.0000 . 1 . . . . . 9 THR CB . 31177 2 29 . 2 . 2 9 9 THR N N 15 105.7716 0.0000 . 1 . . . . . 9 THR N . 31177 2 30 . 2 . 2 10 10 GLY H H 1 7.8299 0.0000 . 1 . . . . . 10 GLY H . 31177 2 31 . 2 . 2 10 10 GLY CA C 13 45.4336 0.0000 . 1 . . . . . 10 GLY CA . 31177 2 32 . 2 . 2 10 10 GLY N N 15 109.3562 0.0000 . 1 . . . . . 10 GLY N . 31177 2 33 . 2 . 2 11 11 LYS H H 1 7.2840 0.0000 . 1 . . . . . 11 LYS H . 31177 2 34 . 2 . 2 11 11 LYS CA C 13 56.3486 0.0000 . 1 . . . . . 11 LYS CA . 31177 2 35 . 2 . 2 11 11 LYS CB C 13 33.5813 0.0000 . 1 . . . . . 11 LYS CB . 31177 2 36 . 2 . 2 11 11 LYS N N 15 121.8452 0.0000 . 1 . . . . . 11 LYS N . 31177 2 37 . 2 . 2 12 12 THR H H 1 8.6520 0.0000 . 1 . . . . . 12 THR H . 31177 2 38 . 2 . 2 12 12 THR CA C 13 62.3934 0.0000 . 1 . . . . . 12 THR CA . 31177 2 39 . 2 . 2 12 12 THR N N 15 120.6377 0.0000 . 1 . . . . . 12 THR N . 31177 2 40 . 2 . 2 14 14 THR H H 1 8.7504 0.0000 . 1 . . . . . 14 THR H . 31177 2 41 . 2 . 2 14 14 THR CA C 13 62.2427 0.0000 . 1 . . . . . 14 THR CA . 31177 2 42 . 2 . 2 14 14 THR CB C 13 72.0615 0.0000 . 1 . . . . . 14 THR CB . 31177 2 43 . 2 . 2 14 14 THR N N 15 121.9011 0.0000 . 1 . . . . . 14 THR N . 31177 2 44 . 2 . 2 15 15 LEU H H 1 8.7642 0.0000 . 1 . . . . . 15 LEU H . 31177 2 45 . 2 . 2 15 15 LEU CA C 13 52.8501 0.0000 . 1 . . . . . 15 LEU CA . 31177 2 46 . 2 . 2 15 15 LEU CB C 13 46.8715 0.0000 . 1 . . . . . 15 LEU CB . 31177 2 47 . 2 . 2 15 15 LEU N N 15 125.1076 0.0000 . 1 . . . . . 15 LEU N . 31177 2 48 . 2 . 2 16 16 GLU H H 1 8.1526 0.0000 . 1 . . . . . 16 GLU H . 31177 2 49 . 2 . 2 16 16 GLU CA C 13 54.8471 0.0000 . 1 . . . . . 16 GLU CA . 31177 2 50 . 2 . 2 16 16 GLU CB C 13 29.9509 0.0000 . 1 . . . . . 16 GLU CB . 31177 2 51 . 2 . 2 16 16 GLU N N 15 122.6366 0.0000 . 1 . . . . . 16 GLU N . 31177 2 52 . 2 . 2 17 17 VAL H H 1 8.9478 0.0000 . 1 . . . . . 17 VAL H . 31177 2 53 . 2 . 2 17 17 VAL CA C 13 58.4292 0.0000 . 1 . . . . . 17 VAL CA . 31177 2 54 . 2 . 2 17 17 VAL CB C 13 36.4733 0.0000 . 1 . . . . . 17 VAL CB . 31177 2 55 . 2 . 2 17 17 VAL N N 15 117.6430 0.0000 . 1 . . . . . 17 VAL N . 31177 2 56 . 2 . 2 18 18 GLU H H 1 8.6886 0.0000 . 1 . . . . . 18 GLU H . 31177 2 57 . 2 . 2 18 18 GLU CA C 13 52.8575 0.0000 . 1 . . . . . 18 GLU CA . 31177 2 58 . 2 . 2 18 18 GLU CB C 13 30.8915 0.0000 . 1 . . . . . 18 GLU CB . 31177 2 59 . 2 . 2 18 18 GLU N N 15 119.4305 0.0000 . 1 . . . . . 18 GLU N . 31177 2 60 . 2 . 2 19 19 PRO CA C 13 65.3638 0.0000 . 1 . . . . . 19 PRO CA . 31177 2 61 . 2 . 2 20 20 SER H H 1 7.0471 0.0000 . 1 . . . . . 20 SER H . 31177 2 62 . 2 . 2 20 20 SER CA C 13 57.3258 0.0000 . 1 . . . . . 20 SER CA . 31177 2 63 . 2 . 2 20 20 SER CB C 13 63.3927 0.0000 . 1 . . . . . 20 SER CB . 31177 2 64 . 2 . 2 20 20 SER N N 15 103.5196 0.0000 . 1 . . . . . 20 SER N . 31177 2 65 . 2 . 2 21 21 ASP H H 1 8.0678 0.0000 . 1 . . . . . 21 ASP H . 31177 2 66 . 2 . 2 21 21 ASP CA C 13 55.8612 0.0000 . 1 . . . . . 21 ASP CA . 31177 2 67 . 2 . 2 21 21 ASP CB C 13 40.9374 0.0000 . 1 . . . . . 21 ASP CB . 31177 2 68 . 2 . 2 21 21 ASP N N 15 123.9972 0.0000 . 1 . . . . . 21 ASP N . 31177 2 69 . 2 . 2 22 22 THR H H 1 7.8836 0.0000 . 1 . . . . . 22 THR H . 31177 2 70 . 2 . 2 22 22 THR CA C 13 59.5892 0.0000 . 1 . . . . . 22 THR CA . 31177 2 71 . 2 . 2 22 22 THR CB C 13 71.2175 0.0000 . 1 . . . . . 22 THR CB . 31177 2 72 . 2 . 2 22 22 THR N N 15 109.0341 0.0000 . 1 . . . . . 22 THR N . 31177 2 73 . 2 . 2 23 23 ILE H H 1 8.5372 0.0000 . 1 . . . . . 23 ILE H . 31177 2 74 . 2 . 2 23 23 ILE CA C 13 62.3687 0.0000 . 1 . . . . . 23 ILE CA . 31177 2 75 . 2 . 2 23 23 ILE N N 15 121.3571 0.0000 . 1 . . . . . 23 ILE N . 31177 2 76 . 2 . 2 24 24 GLU CA C 13 53.1763 0.0000 . 1 . . . . . 24 GLU CA . 31177 2 77 . 2 . 2 25 25 ASN H H 1 7.9402 0.0000 . 1 . . . . . 25 ASN H . 31177 2 78 . 2 . 2 25 25 ASN CA C 13 56.0195 0.0000 . 1 . . . . . 25 ASN CA . 31177 2 79 . 2 . 2 25 25 ASN CB C 13 38.4081 0.0000 . 1 . . . . . 25 ASN CB . 31177 2 80 . 2 . 2 25 25 ASN N N 15 121.4901 0.0000 . 1 . . . . . 25 ASN N . 31177 2 81 . 2 . 2 26 26 VAL H H 1 8.1095 0.0000 . 1 . . . . . 26 VAL H . 31177 2 82 . 2 . 2 26 26 VAL CA C 13 67.6743 0.0000 . 1 . . . . . 26 VAL CA . 31177 2 83 . 2 . 2 26 26 VAL N N 15 122.2572 0.0000 . 1 . . . . . 26 VAL N . 31177 2 84 . 2 . 2 27 27 LYS H H 1 8.5752 0.0000 . 1 . . . . . 27 LYS H . 31177 2 85 . 2 . 2 27 27 LYS CA C 13 59.3845 0.0000 . 1 . . . . . 27 LYS CA . 31177 2 86 . 2 . 2 27 27 LYS N N 15 119.0374 0.0000 . 1 . . . . . 27 LYS N . 31177 2 87 . 2 . 2 28 28 ALA H H 1 7.9818 0.0000 . 1 . . . . . 28 ALA H . 31177 2 88 . 2 . 2 28 28 ALA CA C 13 55.3829 0.0000 . 1 . . . . . 28 ALA CA . 31177 2 89 . 2 . 2 28 28 ALA CB C 13 18.2538 0.0000 . 1 . . . . . 28 ALA CB . 31177 2 90 . 2 . 2 28 28 ALA N N 15 123.5201 0.0000 . 1 . . . . . 28 ALA N . 31177 2 91 . 2 . 2 29 29 LYS H H 1 7.8744 0.0000 . 1 . . . . . 29 LYS H . 31177 2 92 . 2 . 2 29 29 LYS CA C 13 59.8159 0.0000 . 1 . . . . . 29 LYS CA . 31177 2 93 . 2 . 2 29 29 LYS CB C 13 33.4127 0.0000 . 1 . . . . . 29 LYS CB . 31177 2 94 . 2 . 2 29 29 LYS N N 15 120.3069 0.0000 . 1 . . . . . 29 LYS N . 31177 2 95 . 2 . 2 30 30 ILE H H 1 8.2932 0.0000 . 1 . . . . . 30 ILE H . 31177 2 96 . 2 . 2 30 30 ILE CA C 13 66.0590 0.0000 . 1 . . . . . 30 ILE CA . 31177 2 97 . 2 . 2 30 30 ILE CB C 13 36.7614 0.0000 . 1 . . . . . 30 ILE CB . 31177 2 98 . 2 . 2 30 30 ILE N N 15 121.3982 0.0000 . 1 . . . . . 30 ILE N . 31177 2 99 . 2 . 2 31 31 GLN H H 1 8.5678 0.0000 . 1 . . . . . 31 GLN H . 31177 2 100 . 2 . 2 31 31 GLN CA C 13 60.0008 0.0000 . 1 . . . . . 31 GLN CA . 31177 2 101 . 2 . 2 31 31 GLN N N 15 123.5778 0.0000 . 1 . . . . . 31 GLN N . 31177 2 102 . 2 . 2 32 32 ASP H H 1 8.0534 0.0000 . 1 . . . . . 32 ASP H . 31177 2 103 . 2 . 2 32 32 ASP CA C 13 57.2659 0.0000 . 1 . . . . . 32 ASP CA . 31177 2 104 . 2 . 2 32 32 ASP CB C 13 41.1481 0.0000 . 1 . . . . . 32 ASP CB . 31177 2 105 . 2 . 2 32 32 ASP N N 15 119.8893 0.0000 . 1 . . . . . 32 ASP N . 31177 2 106 . 2 . 2 33 33 LYS H H 1 7.4488 0.0000 . 1 . . . . . 33 LYS H . 31177 2 107 . 2 . 2 33 33 LYS CA C 13 58.1449 0.0000 . 1 . . . . . 33 LYS CA . 31177 2 108 . 2 . 2 33 33 LYS CB C 13 34.0664 0.0000 . 1 . . . . . 33 LYS CB . 31177 2 109 . 2 . 2 33 33 LYS N N 15 115.6014 0.0000 . 1 . . . . . 33 LYS N . 31177 2 110 . 2 . 2 34 34 GLU H H 1 8.7502 0.0000 . 1 . . . . . 34 GLU H . 31177 2 111 . 2 . 2 34 34 GLU CA C 13 55.4531 0.0000 . 1 . . . . . 34 GLU CA . 31177 2 112 . 2 . 2 34 34 GLU CB C 13 33.2850 0.0000 . 1 . . . . . 34 GLU CB . 31177 2 113 . 2 . 2 34 34 GLU N N 15 114.4078 0.0000 . 1 . . . . . 34 GLU N . 31177 2 114 . 2 . 2 35 35 GLY H H 1 8.5119 0.0000 . 1 . . . . . 35 GLY H . 31177 2 115 . 2 . 2 35 35 GLY CA C 13 46.1348 0.0000 . 1 . . . . . 35 GLY CA . 31177 2 116 . 2 . 2 35 35 GLY N N 15 108.9081 0.0000 . 1 . . . . . 35 GLY N . 31177 2 117 . 2 . 2 36 36 ILE H H 1 6.1743 0.0000 . 1 . . . . . 36 ILE H . 31177 2 118 . 2 . 2 36 36 ILE N N 15 120.2604 0.0000 . 1 . . . . . 36 ILE N . 31177 2 119 . 2 . 2 38 38 PRO CA C 13 66.2430 0.0000 . 1 . . . . . 38 PRO CA . 31177 2 120 . 2 . 2 38 38 PRO CB C 13 32.8858 0.0000 . 1 . . . . . 38 PRO CB . 31177 2 121 . 2 . 2 39 39 ASP H H 1 8.5405 0.0000 . 1 . . . . . 39 ASP H . 31177 2 122 . 2 . 2 39 39 ASP CA C 13 55.8169 0.0000 . 1 . . . . . 39 ASP CA . 31177 2 123 . 2 . 2 39 39 ASP CB C 13 39.9696 0.0000 . 1 . . . . . 39 ASP CB . 31177 2 124 . 2 . 2 39 39 ASP N N 15 113.6654 0.0000 . 1 . . . . . 39 ASP N . 31177 2 125 . 2 . 2 40 40 GLN H H 1 7.8093 0.0000 . 1 . . . . . 40 GLN H . 31177 2 126 . 2 . 2 40 40 GLN CA C 13 55.5442 0.0000 . 1 . . . . . 40 GLN CA . 31177 2 127 . 2 . 2 40 40 GLN CB C 13 29.7391 0.0000 . 1 . . . . . 40 GLN CB . 31177 2 128 . 2 . 2 40 40 GLN N N 15 116.9485 0.0000 . 1 . . . . . 40 GLN N . 31177 2 129 . 2 . 2 41 41 GLN H H 1 7.4518 0.0000 . 1 . . . . . 41 GLN H . 31177 2 130 . 2 . 2 41 41 GLN CA C 13 56.5769 0.0000 . 1 . . . . . 41 GLN CA . 31177 2 131 . 2 . 2 41 41 GLN N N 15 118.1559 0.0000 . 1 . . . . . 41 GLN N . 31177 2 132 . 2 . 2 44 44 ILE H H 1 9.1391 0.0000 . 1 . . . . . 44 ILE H . 31177 2 133 . 2 . 2 44 44 ILE N N 15 122.5467 0.0000 . 1 . . . . . 44 ILE N . 31177 2 134 . 2 . 2 46 46 ALA H H 1 8.9991 0.0000 . 1 . . . . . 46 ALA H . 31177 2 135 . 2 . 2 46 46 ALA CA C 13 52.6219 0.0000 . 1 . . . . . 46 ALA CA . 31177 2 136 . 2 . 2 46 46 ALA CB C 13 17.1217 0.0000 . 1 . . . . . 46 ALA CB . 31177 2 137 . 2 . 2 46 46 ALA N N 15 101.0408 0.0000 . 1 . . . . . 46 ALA N . 31177 2 138 . 2 . 2 47 47 GLY H H 1 8.1087 0.0000 . 1 . . . . . 47 GLY H . 31177 2 139 . 2 . 2 47 47 GLY CA C 13 45.4812 0.0000 . 1 . . . . . 47 GLY CA . 31177 2 140 . 2 . 2 47 47 GLY N N 15 102.5877 0.0000 . 1 . . . . . 47 GLY N . 31177 2 141 . 2 . 2 48 48 LYS H H 1 7.9935 0.0000 . 1 . . . . . 48 LYS H . 31177 2 142 . 2 . 2 48 48 LYS CA C 13 54.7007 0.0000 . 1 . . . . . 48 LYS CA . 31177 2 143 . 2 . 2 48 48 LYS CB C 13 34.6272 0.0000 . 1 . . . . . 48 LYS CB . 31177 2 144 . 2 . 2 48 48 LYS N N 15 121.8950 0.0000 . 1 . . . . . 48 LYS N . 31177 2 145 . 2 . 2 49 49 GLN H H 1 8.6652 0.0000 . 1 . . . . . 49 GLN H . 31177 2 146 . 2 . 2 49 49 GLN CA C 13 55.8394 0.0000 . 1 . . . . . 49 GLN CA . 31177 2 147 . 2 . 2 49 49 GLN N N 15 122.8798 0.0000 . 1 . . . . . 49 GLN N . 31177 2 148 . 2 . 2 50 50 LEU CA C 13 54.2543 0.0000 . 1 . . . . . 50 LEU CA . 31177 2 149 . 2 . 2 50 50 LEU CB C 13 41.5020 0.0000 . 1 . . . . . 50 LEU CB . 31177 2 150 . 2 . 2 51 51 GLU H H 1 8.4036 0.0000 . 1 . . . . . 51 GLU H . 31177 2 151 . 2 . 2 51 51 GLU CA C 13 56.0133 0.0000 . 1 . . . . . 51 GLU CA . 31177 2 152 . 2 . 2 51 51 GLU CB C 13 31.8884 0.0000 . 1 . . . . . 51 GLU CB . 31177 2 153 . 2 . 2 51 51 GLU N N 15 123.2603 0.0000 . 1 . . . . . 51 GLU N . 31177 2 154 . 2 . 2 52 52 ASP H H 1 8.1737 0.0000 . 1 . . . . . 52 ASP H . 31177 2 155 . 2 . 2 52 52 ASP CA C 13 56.4298 0.0000 . 1 . . . . . 52 ASP CA . 31177 2 156 . 2 . 2 52 52 ASP CB C 13 40.8193 0.0000 . 1 . . . . . 52 ASP CB . 31177 2 157 . 2 . 2 52 52 ASP N N 15 120.5350 0.0000 . 1 . . . . . 52 ASP N . 31177 2 158 . 2 . 2 53 53 GLY CA C 13 45.2543 0.0000 . 1 . . . . . 53 GLY CA . 31177 2 159 . 2 . 2 54 54 ARG H H 1 7.4770 0.0000 . 1 . . . . . 54 ARG H . 31177 2 160 . 2 . 2 54 54 ARG CA C 13 54.2658 0.0000 . 1 . . . . . 54 ARG CA . 31177 2 161 . 2 . 2 54 54 ARG CB C 13 32.8440 0.0000 . 1 . . . . . 54 ARG CB . 31177 2 162 . 2 . 2 54 54 ARG N N 15 119.4864 0.0000 . 1 . . . . . 54 ARG N . 31177 2 163 . 2 . 2 55 55 THR H H 1 8.8483 0.0000 . 1 . . . . . 55 THR H . 31177 2 164 . 2 . 2 55 55 THR CA C 13 59.6495 0.0000 . 1 . . . . . 55 THR CA . 31177 2 165 . 2 . 2 55 55 THR CB C 13 72.2786 0.0000 . 1 . . . . . 55 THR CB . 31177 2 166 . 2 . 2 55 55 THR N N 15 108.9577 0.0000 . 1 . . . . . 55 THR N . 31177 2 167 . 2 . 2 56 56 LEU H H 1 8.1639 0.0000 . 1 . . . . . 56 LEU H . 31177 2 168 . 2 . 2 56 56 LEU CA C 13 58.8402 0.0000 . 1 . . . . . 56 LEU CA . 31177 2 169 . 2 . 2 56 56 LEU CB C 13 40.4296 0.0000 . 1 . . . . . 56 LEU CB . 31177 2 170 . 2 . 2 56 56 LEU N N 15 118.1324 0.0000 . 1 . . . . . 56 LEU N . 31177 2 171 . 2 . 2 57 57 SER H H 1 8.4891 0.0000 . 1 . . . . . 57 SER H . 31177 2 172 . 2 . 2 57 57 SER CA C 13 60.9688 0.0000 . 1 . . . . . 57 SER CA . 31177 2 173 . 2 . 2 57 57 SER CB C 13 62.2841 0.0000 . 1 . . . . . 57 SER CB . 31177 2 174 . 2 . 2 57 57 SER N N 15 113.5360 0.0000 . 1 . . . . . 57 SER N . 31177 2 175 . 2 . 2 58 58 ASP H H 1 7.9483 0.0000 . 1 . . . . . 58 ASP H . 31177 2 176 . 2 . 2 58 58 ASP CA C 13 57.4652 0.0000 . 1 . . . . . 58 ASP CA . 31177 2 177 . 2 . 2 58 58 ASP CB C 13 40.4691 0.0000 . 1 . . . . . 58 ASP CB . 31177 2 178 . 2 . 2 58 58 ASP N N 15 124.6195 0.0000 . 1 . . . . . 58 ASP N . 31177 2 179 . 2 . 2 59 59 TYR H H 1 7.2668 0.0000 . 1 . . . . . 59 TYR H . 31177 2 180 . 2 . 2 59 59 TYR CA C 13 58.2523 0.0000 . 1 . . . . . 59 TYR CA . 31177 2 181 . 2 . 2 59 59 TYR CB C 13 40.1485 0.0000 . 1 . . . . . 59 TYR CB . 31177 2 182 . 2 . 2 59 59 TYR N N 15 115.8364 0.0000 . 1 . . . . . 59 TYR N . 31177 2 183 . 2 . 2 60 60 ASN H H 1 8.1631 0.0000 . 1 . . . . . 60 ASN H . 31177 2 184 . 2 . 2 60 60 ASN CA C 13 54.1833 0.0000 . 1 . . . . . 60 ASN CA . 31177 2 185 . 2 . 2 60 60 ASN CB C 13 37.4462 0.0000 . 1 . . . . . 60 ASN CB . 31177 2 186 . 2 . 2 60 60 ASN N N 15 116.0278 0.0000 . 1 . . . . . 60 ASN N . 31177 2 187 . 2 . 2 61 61 ILE H H 1 7.2566 0.0000 . 1 . . . . . 61 ILE H . 31177 2 188 . 2 . 2 61 61 ILE CA C 13 62.5171 0.0000 . 1 . . . . . 61 ILE CA . 31177 2 189 . 2 . 2 61 61 ILE CB C 13 37.0230 0.0000 . 1 . . . . . 61 ILE CB . 31177 2 190 . 2 . 2 61 61 ILE N N 15 118.9947 0.0000 . 1 . . . . . 61 ILE N . 31177 2 191 . 2 . 2 62 62 GLN H H 1 7.6346 0.0000 . 1 . . . . . 62 GLN H . 31177 2 192 . 2 . 2 62 62 GLN CA C 13 53.6163 0.0000 . 1 . . . . . 62 GLN CA . 31177 2 193 . 2 . 2 62 62 GLN CB C 13 31.6965 0.0000 . 1 . . . . . 62 GLN CB . 31177 2 194 . 2 . 2 62 62 GLN N N 15 125.0547 0.0000 . 1 . . . . . 62 GLN N . 31177 2 195 . 2 . 2 63 63 LYS H H 1 8.4980 0.0000 . 1 . . . . . 63 LYS H . 31177 2 196 . 2 . 2 63 63 LYS CA C 13 57.8528 0.0000 . 1 . . . . . 63 LYS CA . 31177 2 197 . 2 . 2 63 63 LYS CB C 13 32.4479 0.0000 . 1 . . . . . 63 LYS CB . 31177 2 198 . 2 . 2 63 63 LYS N N 15 120.6708 0.0000 . 1 . . . . . 63 LYS N . 31177 2 199 . 2 . 2 64 64 GLU H H 1 9.3390 0.0000 . 1 . . . . . 64 GLU H . 31177 2 200 . 2 . 2 64 64 GLU CA C 13 58.0172 0.0000 . 1 . . . . . 64 GLU CA . 31177 2 201 . 2 . 2 64 64 GLU CB C 13 26.3957 0.0000 . 1 . . . . . 64 GLU CB . 31177 2 202 . 2 . 2 64 64 GLU N N 15 114.6743 0.0000 . 1 . . . . . 64 GLU N . 31177 2 203 . 2 . 2 65 65 SER H H 1 7.6804 0.0000 . 1 . . . . . 65 SER H . 31177 2 204 . 2 . 2 65 65 SER CA C 13 60.9175 0.0000 . 1 . . . . . 65 SER CA . 31177 2 205 . 2 . 2 65 65 SER CB C 13 64.8436 0.0000 . 1 . . . . . 65 SER CB . 31177 2 206 . 2 . 2 65 65 SER N N 15 115.0850 0.0000 . 1 . . . . . 65 SER N . 31177 2 207 . 2 . 2 66 66 THR H H 1 8.7315 0.0000 . 1 . . . . . 66 THR H . 31177 2 208 . 2 . 2 66 66 THR CA C 13 62.5104 0.0000 . 1 . . . . . 66 THR CA . 31177 2 209 . 2 . 2 66 66 THR CB C 13 70.1454 0.0000 . 1 . . . . . 66 THR CB . 31177 2 210 . 2 . 2 66 66 THR N N 15 117.5911 0.0000 . 1 . . . . . 66 THR N . 31177 2 211 . 2 . 2 67 67 LEU H H 1 9.3895 0.0000 . 1 . . . . . 67 LEU H . 31177 2 212 . 2 . 2 67 67 LEU CA C 13 53.9600 0.0000 . 1 . . . . . 67 LEU CA . 31177 2 213 . 2 . 2 67 67 LEU CB C 13 44.2867 0.0000 . 1 . . . . . 67 LEU CB . 31177 2 214 . 2 . 2 67 67 LEU N N 15 127.8377 0.0000 . 1 . . . . . 67 LEU N . 31177 2 215 . 2 . 2 68 68 HIS H H 1 9.1965 0.0000 . 1 . . . . . 68 HIS H . 31177 2 216 . 2 . 2 68 68 HIS CA C 13 56.0987 0.0000 . 1 . . . . . 68 HIS CA . 31177 2 217 . 2 . 2 68 68 HIS N N 15 119.5451 0.0000 . 1 . . . . . 68 HIS N . 31177 2 218 . 2 . 2 69 69 LEU H H 1 8.3396 0.0000 . 1 . . . . . 69 LEU H . 31177 2 219 . 2 . 2 69 69 LEU N N 15 123.8867 0.0000 . 1 . . . . . 69 LEU N . 31177 2 stop_ save_