################################### # 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 31301 _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 'DARR 75ms' . . . 31301 1 2 N(CO)CX . . . 31301 1 3 N(CA)CX . . . 31301 1 4 CA(N)CO . . . 31301 1 5 NCA . . . 31301 1 6 NCA . . . 31301 1 7 'DARR 75ms' . . . 31301 1 8 'DARR 350ms' . . . 31301 1 9 CA(N)CO . . . 31301 1 10 N(CA)CX . . . 31301 1 11 N(CO)CX . . . 31301 1 12 'DARR 75ms' . . . 31301 1 13 'TEDOR 7.2ms' . . . 31301 1 14 'DARR 500ms' . . . 31301 1 15 'DARR 500ms' . . . 31301 1 16 'DARR 350ms' . . . 31301 1 17 'DARR 350ms' . . . 31301 1 18 'DARR 350ms' . . . 31301 1 19 NCACX . . . 31301 1 20 NCOCX . . . 31301 1 21 NCACX . . . 31301 1 22 CANCO . . . 31301 1 23 NCOCX . . . 31301 1 24 'TEDOR 5.7ms' . . . 31301 1 25 'NHHC 500 us' . . . 31301 1 26 'DARR 400ms' . . . 31301 1 27 'NCA 4ms' . . . 31301 1 28 'CORD 50ms' . . . 31301 1 29 'DARR 50ms' . . . 31301 1 30 NCA . . . 31301 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 62 62 ARG CA C 13 56.800 0.15 . 1 . . . . A 447 ARG CA . 31301 1 2 . 1 . 1 62 62 ARG CB C 13 30.200 0.15 . 1 . . . . A 447 ARG CB . 31301 1 3 . 1 . 1 62 62 ARG CD C 13 43.500 0.15 . 1 . . . . A 447 ARG CD . 31301 1 4 . 1 . 1 62 62 ARG CZ C 13 159.600 0.15 . 1 . . . . A 447 ARG CZ . 31301 1 5 . 1 . 1 63 63 PRO CA C 13 62.700 0.15 . 1 . . . . A 448 PRO CA . 31301 1 6 . 1 . 1 63 63 PRO CB C 13 32.200 0.15 . 1 . . . . A 448 PRO CB . 31301 1 7 . 1 . 1 63 63 PRO CG C 13 27.400 0.15 . 1 . . . . A 448 PRO CG . 31301 1 8 . 1 . 1 63 63 PRO CD C 13 50.400 0.15 . 1 . . . . A 448 PRO CD . 31301 1 9 . 1 . 1 63 63 PRO N N 15 136.600 0.75 . 1 . . . . A 448 PRO N . 31301 1 10 . 1 . 1 64 64 LEU CB C 13 42.500 0.15 . 1 . . . . A 449 LEU CB . 31301 1 11 . 1 . 1 64 64 LEU CG C 13 27.100 0.15 . 1 . . . . A 449 LEU CG . 31301 1 12 . 1 . 1 64 64 LEU CD1 C 13 23.700 0.15 . 1 . . . . A 449 LEU CD1 . 31301 1 13 . 1 . 1 65 65 VAL C C 13 174.300 0.15 . 1 . . . . A 450 VAL C . 31301 1 14 . 1 . 1 65 65 VAL CA C 13 60.300 0.15 . 1 . . . . A 450 VAL CA . 31301 1 15 . 1 . 1 65 65 VAL CB C 13 35.200 0.15 . 1 . . . . A 450 VAL CB . 31301 1 16 . 1 . 1 65 65 VAL N N 15 125.200 0.75 . 1 . . . . A 450 VAL N . 31301 1 17 . 1 . 1 66 66 ASN C C 13 173.500 0.15 . 1 . . . . A 451 ASN C . 31301 1 18 . 1 . 1 66 66 ASN CA C 13 52.000 0.15 . 1 . . . . A 451 ASN CA . 31301 1 19 . 1 . 1 66 66 ASN CB C 13 42.900 0.15 . 1 . . . . A 451 ASN CB . 31301 1 20 . 1 . 1 66 66 ASN CG C 13 176.600 0.15 . 1 . . . . A 451 ASN CG . 31301 1 21 . 1 . 1 66 66 ASN N N 15 125.300 0.75 . 1 . . . . A 451 ASN N . 31301 1 22 . 1 . 1 67 67 ILE C C 13 173.800 0.15 . 1 . . . . A 452 ILE C . 31301 1 23 . 1 . 1 67 67 ILE CA C 13 61.000 0.15 . 1 . . . . A 452 ILE CA . 31301 1 24 . 1 . 1 67 67 ILE CB C 13 40.300 0.15 . 1 . . . . A 452 ILE CB . 31301 1 25 . 1 . 1 67 67 ILE CG1 C 13 27.600 0.15 . 1 . . . . A 452 ILE CG1 . 31301 1 26 . 1 . 1 67 67 ILE CG2 C 13 20.700 0.15 . 1 . . . . A 452 ILE CG2 . 31301 1 27 . 1 . 1 67 67 ILE CD1 C 13 14.500 0.15 . 1 . . . . A 452 ILE CD1 . 31301 1 28 . 1 . 1 67 67 ILE N N 15 122.800 0.75 . 1 . . . . A 452 ILE N . 31301 1 29 . 1 . 1 68 68 TYR C C 13 175.400 0.15 . 1 . . . . A 453 TYR C . 31301 1 30 . 1 . 1 68 68 TYR CA C 13 56.300 0.15 . 1 . . . . A 453 TYR CA . 31301 1 31 . 1 . 1 68 68 TYR CB C 13 40.500 0.15 . 1 . . . . A 453 TYR CB . 31301 1 32 . 1 . 1 68 68 TYR CG C 13 129.100 0.15 . 1 . . . . A 453 TYR CG . 31301 1 33 . 1 . 1 68 68 TYR CD1 C 13 133.900 0.15 . 1 . . . . A 453 TYR CD1 . 31301 1 34 . 1 . 1 68 68 TYR CE1 C 13 117.400 0.15 . 1 . . . . A 453 TYR CE1 . 31301 1 35 . 1 . 1 68 68 TYR CZ C 13 157.200 0.15 . 1 . . . . A 453 TYR CZ . 31301 1 36 . 1 . 1 68 68 TYR N N 15 124.000 0.75 . 1 . . . . A 453 TYR N . 31301 1 37 . 1 . 1 69 69 ASN C C 13 175.600 0.15 . 1 . . . . A 454 ASN C . 31301 1 38 . 1 . 1 69 69 ASN CA C 13 54.800 0.15 . 1 . . . . A 454 ASN CA . 31301 1 39 . 1 . 1 69 69 ASN CB C 13 37.400 0.15 . 1 . . . . A 454 ASN CB . 31301 1 40 . 1 . 1 69 69 ASN N N 15 118.900 0.75 . 1 . . . . A 454 ASN N . 31301 1 41 . 1 . 1 70 70 CYS C C 13 174.300 0.15 . 1 . . . . A 455 CYS C . 31301 1 42 . 1 . 1 70 70 CYS CA C 13 58.400 0.15 . 1 . . . . A 455 CYS CA . 31301 1 43 . 1 . 1 70 70 CYS CB C 13 32.000 0.15 . 1 . . . . A 455 CYS CB . 31301 1 44 . 1 . 1 70 70 CYS N N 15 114.300 0.75 . 1 . . . . A 455 CYS N . 31301 1 45 . 1 . 1 71 71 SER C C 13 173.100 0.15 . 1 . . . . A 456 SER C . 31301 1 46 . 1 . 1 71 71 SER CA C 13 57.600 0.15 . 1 . . . . A 456 SER CA . 31301 1 47 . 1 . 1 71 71 SER CB C 13 65.500 0.15 . 1 . . . . A 456 SER CB . 31301 1 48 . 1 . 1 71 71 SER N N 15 118.300 0.75 . 1 . . . . A 456 SER N . 31301 1 49 . 1 . 1 72 72 GLY C C 13 170.300 0.15 . 1 . . . . A 457 GLY C . 31301 1 50 . 1 . 1 72 72 GLY CA C 13 48.400 0.15 . 1 . . . . A 457 GLY CA . 31301 1 51 . 1 . 1 72 72 GLY N N 15 116.600 0.75 . 1 . . . . A 457 GLY N . 31301 1 52 . 1 . 1 73 73 VAL C C 13 174.700 0.15 . 1 . . . . A 458 VAL C . 31301 1 53 . 1 . 1 73 73 VAL CA C 13 59.900 0.15 . 1 . . . . A 458 VAL CA . 31301 1 54 . 1 . 1 73 73 VAL CB C 13 36.300 0.15 . 1 . . . . A 458 VAL CB . 31301 1 55 . 1 . 1 73 73 VAL CG1 C 13 21.900 0.15 . 1 . . . . A 458 VAL CG1 . 31301 1 56 . 1 . 1 73 73 VAL CG2 C 13 21.300 0.15 . 1 . . . . A 458 VAL CG2 . 31301 1 57 . 1 . 1 73 73 VAL N N 15 124.000 0.75 . 1 . . . . A 458 VAL N . 31301 1 58 . 1 . 1 74 74 GLN C C 13 175.700 0.15 . 1 . . . . A 459 GLN C . 31301 1 59 . 1 . 1 74 74 GLN CA C 13 53.600 0.15 . 1 . . . . A 459 GLN CA . 31301 1 60 . 1 . 1 74 74 GLN CB C 13 32.400 0.15 . 1 . . . . A 459 GLN CB . 31301 1 61 . 1 . 1 74 74 GLN CG C 13 33.700 0.15 . 1 . . . . A 459 GLN CG . 31301 1 62 . 1 . 1 74 74 GLN CD C 13 177.600 0.15 . 1 . . . . A 459 GLN CD . 31301 1 63 . 1 . 1 74 74 GLN N N 15 124.300 0.75 . 1 . . . . A 459 GLN N . 31301 1 64 . 1 . 1 74 74 GLN NE2 N 15 113.000 0.75 . 1 . . . . A 459 GLN NE2 . 31301 1 65 . 1 . 1 75 75 VAL C C 13 174.600 0.15 . 1 . . . . A 460 VAL C . 31301 1 66 . 1 . 1 75 75 VAL CA C 13 60.800 0.15 . 1 . . . . A 460 VAL CA . 31301 1 67 . 1 . 1 75 75 VAL CB C 13 33.500 0.15 . 1 . . . . A 460 VAL CB . 31301 1 68 . 1 . 1 75 75 VAL CG1 C 13 21.300 0.15 . 1 . . . . A 460 VAL CG1 . 31301 1 69 . 1 . 1 75 75 VAL N N 15 123.400 0.75 . 1 . . . . A 460 VAL N . 31301 1 70 . 1 . 1 76 76 GLY C C 13 170.400 0.15 . 1 . . . . A 461 GLY C . 31301 1 71 . 1 . 1 76 76 GLY CA C 13 44.500 0.15 . 1 . . . . A 461 GLY CA . 31301 1 72 . 1 . 1 76 76 GLY N N 15 117.500 0.75 . 1 . . . . A 461 GLY N . 31301 1 73 . 1 . 1 77 77 ASP C C 13 176.300 0.15 . 1 . . . . A 462 ASP C . 31301 1 74 . 1 . 1 77 77 ASP CA C 13 52.400 0.15 . 1 . . . . A 462 ASP CA . 31301 1 75 . 1 . 1 77 77 ASP CB C 13 44.400 0.15 . 1 . . . . A 462 ASP CB . 31301 1 76 . 1 . 1 77 77 ASP CG C 13 181.100 0.15 . 1 . . . . A 462 ASP CG . 31301 1 77 . 1 . 1 77 77 ASP N N 15 119.700 0.75 . 1 . . . . A 462 ASP N . 31301 1 78 . 1 . 1 78 78 ASN C C 13 174.000 0.15 . 1 . . . . A 463 ASN C . 31301 1 79 . 1 . 1 78 78 ASN CA C 13 51.900 0.15 . 1 . . . . A 463 ASN CA . 31301 1 80 . 1 . 1 78 78 ASN CB C 13 36.400 0.15 . 1 . . . . A 463 ASN CB . 31301 1 81 . 1 . 1 78 78 ASN N N 15 113.900 0.75 . 1 . . . . A 463 ASN N . 31301 1 82 . 1 . 1 79 79 ASN C C 13 173.900 0.15 . 1 . . . . A 464 ASN C . 31301 1 83 . 1 . 1 79 79 ASN CA C 13 53.400 0.15 . 1 . . . . A 464 ASN CA . 31301 1 84 . 1 . 1 79 79 ASN CB C 13 40.200 0.15 . 1 . . . . A 464 ASN CB . 31301 1 85 . 1 . 1 79 79 ASN CG C 13 177.000 0.15 . 1 . . . . A 464 ASN CG . 31301 1 86 . 1 . 1 79 79 ASN N N 15 116.100 0.75 . 1 . . . . A 464 ASN N . 31301 1 87 . 1 . 1 80 80 TYR C C 13 173.500 0.15 . 1 . . . . A 465 TYR C . 31301 1 88 . 1 . 1 80 80 TYR CA C 13 58.300 0.15 . 1 . . . . A 465 TYR CA . 31301 1 89 . 1 . 1 80 80 TYR CE1 C 13 117.700 0.15 . 1 . . . . A 465 TYR CE1 . 31301 1 90 . 1 . 1 80 80 TYR CZ C 13 157.300 0.15 . 1 . . . . A 465 TYR CZ . 31301 1 91 . 1 . 1 80 80 TYR N N 15 121.100 0.75 . 1 . . . . A 465 TYR N . 31301 1 92 . 1 . 1 81 81 LEU C C 13 174.600 0.15 . 1 . . . . A 466 LEU C . 31301 1 93 . 1 . 1 81 81 LEU CA C 13 55.000 0.15 . 1 . . . . A 466 LEU CA . 31301 1 94 . 1 . 1 81 81 LEU CB C 13 44.700 0.15 . 1 . . . . A 466 LEU CB . 31301 1 95 . 1 . 1 81 81 LEU CG C 13 28.800 0.15 . 1 . . . . A 466 LEU CG . 31301 1 96 . 1 . 1 81 81 LEU CD1 C 13 24.500 0.15 . 1 . . . . A 466 LEU CD1 . 31301 1 97 . 1 . 1 81 81 LEU N N 15 134.700 0.75 . 1 . . . . A 466 LEU N . 31301 1 98 . 1 . 1 82 82 THR C C 13 172.300 0.15 . 1 . . . . A 467 THR C . 31301 1 99 . 1 . 1 82 82 THR CA C 13 57.500 0.15 . 1 . . . . A 467 THR CA . 31301 1 100 . 1 . 1 82 82 THR CB C 13 70.700 0.15 . 1 . . . . A 467 THR CB . 31301 1 101 . 1 . 1 82 82 THR CG2 C 13 20.100 0.15 . 1 . . . . A 467 THR CG2 . 31301 1 102 . 1 . 1 82 82 THR N N 15 120.500 0.75 . 1 . . . . A 467 THR N . 31301 1 103 . 1 . 1 83 83 MET C C 13 174.600 0.15 . 1 . . . . A 468 MET C . 31301 1 104 . 1 . 1 83 83 MET CA C 13 54.600 0.15 . 1 . . . . A 468 MET CA . 31301 1 105 . 1 . 1 83 83 MET CB C 13 34.200 0.15 . 1 . . . . A 468 MET CB . 31301 1 106 . 1 . 1 83 83 MET CG C 13 32.400 0.15 . 1 . . . . A 468 MET CG . 31301 1 107 . 1 . 1 83 83 MET CE C 13 16.600 0.15 . 1 . . . . A 468 MET CE . 31301 1 108 . 1 . 1 83 83 MET N N 15 124.700 0.75 . 1 . . . . A 468 MET N . 31301 1 109 . 1 . 1 84 84 GLN C C 13 175.100 0.15 . 1 . . . . A 469 GLN C . 31301 1 110 . 1 . 1 84 84 GLN CA C 13 54.600 0.15 . 1 . . . . A 469 GLN CA . 31301 1 111 . 1 . 1 84 84 GLN CB C 13 30.700 0.15 . 1 . . . . A 469 GLN CB . 31301 1 112 . 1 . 1 84 84 GLN CG C 13 37.500 0.15 . 1 . . . . A 469 GLN CG . 31301 1 113 . 1 . 1 84 84 GLN CD C 13 179.400 0.15 . 1 . . . . A 469 GLN CD . 31301 1 114 . 1 . 1 84 84 GLN N N 15 124.300 0.75 . 1 . . . . A 469 GLN N . 31301 1 115 . 1 . 1 85 85 GLN C C 13 175.900 0.15 . 1 . . . . A 470 GLN C . 31301 1 116 . 1 . 1 85 85 GLN CA C 13 53.800 0.15 . 1 . . . . A 470 GLN CA . 31301 1 117 . 1 . 1 85 85 GLN CB C 13 32.700 0.15 . 1 . . . . A 470 GLN CB . 31301 1 118 . 1 . 1 85 85 GLN CG C 13 36.300 0.15 . 1 . . . . A 470 GLN CG . 31301 1 119 . 1 . 1 85 85 GLN N N 15 124.300 0.75 . 1 . . . . A 470 GLN N . 31301 1 120 . 1 . 1 86 86 THR C C 13 173.000 0.15 . 1 . . . . A 471 THR C . 31301 1 121 . 1 . 1 86 86 THR CA C 13 61.400 0.15 . 1 . . . . A 471 THR CA . 31301 1 122 . 1 . 1 86 86 THR CB C 13 71.200 0.15 . 1 . . . . A 471 THR CB . 31301 1 123 . 1 . 1 86 86 THR CG2 C 13 21.700 0.15 . 1 . . . . A 471 THR CG2 . 31301 1 124 . 1 . 1 86 86 THR N N 15 117.800 0.75 . 1 . . . . A 471 THR N . 31301 1 125 . 1 . 1 87 87 THR C C 13 172.400 0.15 . 1 . . . . A 472 THR C . 31301 1 126 . 1 . 1 87 87 THR CA C 13 62.200 0.15 . 1 . . . . A 472 THR CA . 31301 1 127 . 1 . 1 87 87 THR CB C 13 70.000 0.15 . 1 . . . . A 472 THR CB . 31301 1 128 . 1 . 1 87 87 THR CG2 C 13 21.700 0.15 . 1 . . . . A 472 THR CG2 . 31301 1 129 . 1 . 1 87 87 THR N N 15 126.700 0.75 . 1 . . . . A 472 THR N . 31301 1 130 . 1 . 1 88 88 ALA C C 13 175.600 0.15 . 1 . . . . A 473 ALA C . 31301 1 131 . 1 . 1 88 88 ALA CA C 13 50.500 0.15 . 1 . . . . A 473 ALA CA . 31301 1 132 . 1 . 1 88 88 ALA CB C 13 23.400 0.15 . 1 . . . . A 473 ALA CB . 31301 1 133 . 1 . 1 88 88 ALA N N 15 129.400 0.75 . 1 . . . . A 473 ALA N . 31301 1 134 . 5 . 2 50 50 SER CB C 13 65.500 0.15 . 1 . . . . B 48 SER CB . 31301 1 135 . 5 . 2 51 51 VAL C C 13 174.500 0.15 . 1 . . . . B 49 VAL C . 31301 1 136 . 5 . 2 51 51 VAL CA C 13 59.300 0.15 . 1 . . . . B 49 VAL CA . 31301 1 137 . 5 . 2 51 51 VAL CB C 13 37.600 0.15 . 1 . . . . B 49 VAL CB . 31301 1 138 . 5 . 2 51 51 VAL CG1 C 13 22.100 0.15 . 1 . . . . B 49 VAL CG1 . 31301 1 139 . 5 . 2 51 51 VAL CG2 C 13 21.500 0.15 . 1 . . . . B 49 VAL CG2 . 31301 1 140 . 5 . 2 51 51 VAL N N 15 118.200 0.75 . 1 . . . . B 49 VAL N . 31301 1 141 . 5 . 2 52 52 PRO C C 13 172.900 0.15 . 1 . . . . B 50 PRO C . 31301 1 142 . 5 . 2 52 52 PRO CA C 13 62.700 0.15 . 1 . . . . B 50 PRO CA . 31301 1 143 . 5 . 2 52 52 PRO CB C 13 32.300 0.15 . 1 . . . . B 50 PRO CB . 31301 1 144 . 5 . 2 52 52 PRO CG C 13 27.300 0.15 . 1 . . . . B 50 PRO CG . 31301 1 145 . 5 . 2 52 52 PRO CD C 13 51.000 0.15 . 1 . . . . B 50 PRO CD . 31301 1 146 . 5 . 2 52 52 PRO N N 15 134.400 0.75 . 1 . . . . B 50 PRO N . 31301 1 147 . 5 . 2 53 53 TYR C C 13 175.300 0.15 . 1 . . . . B 51 TYR C . 31301 1 148 . 5 . 2 53 53 TYR CA C 13 56.100 0.15 . 1 . . . . B 51 TYR CA . 31301 1 149 . 5 . 2 53 53 TYR CB C 13 40.400 0.15 . 1 . . . . B 51 TYR CB . 31301 1 150 . 5 . 2 53 53 TYR CG C 13 130.000 0.15 . 1 . . . . B 51 TYR CG . 31301 1 151 . 5 . 2 53 53 TYR N N 15 122.600 0.75 . 1 . . . . B 51 TYR N . 31301 1 152 . 5 . 2 54 54 VAL CA C 13 61.200 0.15 . 1 . . . . B 52 VAL CA . 31301 1 153 . 5 . 2 54 54 VAL CB C 13 35.500 0.15 . 1 . . . . B 52 VAL CB . 31301 1 154 . 5 . 2 54 54 VAL CG1 C 13 21.100 0.15 . 1 . . . . B 52 VAL CG1 . 31301 1 155 . 5 . 2 54 54 VAL N N 15 115.200 0.75 . 1 . . . . B 52 VAL N . 31301 1 156 . 5 . 2 55 55 ARG CA C 13 56.000 0.15 . 1 . . . . B 53 ARG CA . 31301 1 157 . 5 . 2 55 55 ARG CB C 13 34.900 0.15 . 1 . . . . B 53 ARG CB . 31301 1 158 . 5 . 2 55 55 ARG CG C 13 27.900 0.15 . 1 . . . . B 53 ARG CG . 31301 1 159 . 5 . 2 55 55 ARG CD C 13 43.300 0.15 . 1 . . . . B 53 ARG CD . 31301 1 160 . 5 . 2 55 55 ARG CZ C 13 158.600 0.15 . 1 . . . . B 53 ARG CZ . 31301 1 161 . 5 . 2 55 55 ARG N N 15 123.300 0.75 . 1 . . . . B 53 ARG N . 31301 1 162 . 5 . 2 56 56 ILE C C 13 174.600 0.15 . 1 . . . . B 54 ILE C . 31301 1 163 . 5 . 2 56 56 ILE CA C 13 60.500 0.15 . 1 . . . . B 54 ILE CA . 31301 1 164 . 5 . 2 56 56 ILE CB C 13 41.900 0.15 . 1 . . . . B 54 ILE CB . 31301 1 165 . 5 . 2 56 56 ILE CG1 C 13 28.500 0.15 . 1 . . . . B 54 ILE CG1 . 31301 1 166 . 5 . 2 56 56 ILE CG2 C 13 18.200 0.15 . 1 . . . . B 54 ILE CG2 . 31301 1 167 . 5 . 2 56 56 ILE CD1 C 13 13.600 0.15 . 1 . . . . B 54 ILE CD1 . 31301 1 168 . 5 . 2 56 56 ILE N N 15 126.800 0.75 . 1 . . . . B 54 ILE N . 31301 1 169 . 5 . 2 57 57 MET C C 13 174.300 0.15 . 1 . . . . B 55 MET C . 31301 1 170 . 5 . 2 57 57 MET CA C 13 54.200 0.15 . 1 . . . . B 55 MET CA . 31301 1 171 . 5 . 2 57 57 MET CB C 13 37.600 0.15 . 1 . . . . B 55 MET CB . 31301 1 172 . 5 . 2 57 57 MET CG C 13 30.700 0.15 . 1 . . . . B 55 MET CG . 31301 1 173 . 5 . 2 57 57 MET CE C 13 15.300 0.15 . 1 . . . . B 55 MET CE . 31301 1 174 . 5 . 2 57 57 MET N N 15 125.100 0.75 . 1 . . . . B 55 MET N . 31301 1 175 . 5 . 2 58 58 ASN C C 13 175.000 0.15 . 1 . . . . B 56 ASN C . 31301 1 176 . 5 . 2 58 58 ASN CA C 13 53.800 0.15 . 1 . . . . B 56 ASN CA . 31301 1 177 . 5 . 2 58 58 ASN CB C 13 41.300 0.15 . 1 . . . . B 56 ASN CB . 31301 1 178 . 5 . 2 58 58 ASN CG C 13 177.400 0.15 . 1 . . . . B 56 ASN CG . 31301 1 179 . 5 . 2 58 58 ASN N N 15 116.400 0.75 . 1 . . . . B 56 ASN N . 31301 1 180 . 5 . 2 58 58 ASN ND2 N 15 113.800 0.75 . 1 . . . . B 56 ASN ND2 . 31301 1 181 . 5 . 2 59 59 GLY C C 13 170.800 0.15 . 1 . . . . B 57 GLY C . 31301 1 182 . 5 . 2 59 59 GLY CA C 13 46.700 0.15 . 1 . . . . B 57 GLY CA . 31301 1 183 . 5 . 2 59 59 GLY N N 15 104.700 0.75 . 1 . . . . B 57 GLY N . 31301 1 184 . 5 . 2 60 60 VAL C C 13 174.600 0.15 . 1 . . . . B 58 VAL C . 31301 1 185 . 5 . 2 60 60 VAL CA C 13 60.300 0.15 . 1 . . . . B 58 VAL CA . 31301 1 186 . 5 . 2 60 60 VAL CB C 13 38.100 0.15 . 1 . . . . B 58 VAL CB . 31301 1 187 . 5 . 2 60 60 VAL CG1 C 13 22.200 0.15 . 1 . . . . B 58 VAL CG1 . 31301 1 188 . 5 . 2 60 60 VAL CG2 C 13 21.500 0.15 . 1 . . . . B 58 VAL CG2 . 31301 1 189 . 5 . 2 60 60 VAL N N 15 116.500 0.75 . 1 . . . . B 58 VAL N . 31301 1 190 . 5 . 2 61 61 SER C C 13 172.700 0.15 . 1 . . . . B 59 SER C . 31301 1 191 . 5 . 2 61 61 SER CA C 13 55.100 0.15 . 1 . . . . B 59 SER CA . 31301 1 192 . 5 . 2 61 61 SER CB C 13 65.800 0.15 . 1 . . . . B 59 SER CB . 31301 1 193 . 5 . 2 61 61 SER N N 15 118.800 0.75 . 1 . . . . B 59 SER N . 31301 1 194 . 5 . 2 62 62 GLY C C 13 174.300 0.15 . 1 . . . . B 60 GLY C . 31301 1 195 . 5 . 2 62 62 GLY CA C 13 45.300 0.15 . 1 . . . . B 60 GLY CA . 31301 1 196 . 5 . 2 62 62 GLY N N 15 114.600 0.75 . 1 . . . . B 60 GLY N . 31301 1 197 . 5 . 2 63 63 ILE C C 13 173.900 0.15 . 1 . . . . B 61 ILE C . 31301 1 198 . 5 . 2 63 63 ILE CA C 13 61.000 0.15 . 1 . . . . B 61 ILE CA . 31301 1 199 . 5 . 2 63 63 ILE CB C 13 42.900 0.15 . 1 . . . . B 61 ILE CB . 31301 1 200 . 5 . 2 63 63 ILE CG1 C 13 28.800 0.15 . 1 . . . . B 61 ILE CG1 . 31301 1 201 . 5 . 2 63 63 ILE CG2 C 13 16.700 0.15 . 1 . . . . B 61 ILE CG2 . 31301 1 202 . 5 . 2 63 63 ILE CD1 C 13 14.900 0.15 . 1 . . . . B 61 ILE CD1 . 31301 1 203 . 5 . 2 63 63 ILE N N 15 127.600 0.75 . 1 . . . . B 61 ILE N . 31301 1 204 . 5 . 2 64 64 GLN C C 13 174.000 0.15 . 1 . . . . B 62 GLN C . 31301 1 205 . 5 . 2 64 64 GLN CA C 13 54.100 0.15 . 1 . . . . B 62 GLN CA . 31301 1 206 . 5 . 2 64 64 GLN CB C 13 32.000 0.15 . 1 . . . . B 62 GLN CB . 31301 1 207 . 5 . 2 64 64 GLN CG C 13 33.400 0.15 . 1 . . . . B 62 GLN CG . 31301 1 208 . 5 . 2 64 64 GLN CD C 13 177.900 0.15 . 1 . . . . B 62 GLN CD . 31301 1 209 . 5 . 2 64 64 GLN N N 15 127.000 0.75 . 1 . . . . B 62 GLN N . 31301 1 210 . 5 . 2 64 64 GLN NE2 N 15 113.900 0.75 . 1 . . . . B 62 GLN NE2 . 31301 1 211 . 5 . 2 65 65 ILE C C 13 174.400 0.15 . 1 . . . . B 63 ILE C . 31301 1 212 . 5 . 2 65 65 ILE CA C 13 60.100 0.15 . 1 . . . . B 63 ILE CA . 31301 1 213 . 5 . 2 65 65 ILE CB C 13 39.600 0.15 . 1 . . . . B 63 ILE CB . 31301 1 214 . 5 . 2 65 65 ILE CG1 C 13 27.300 0.15 . 1 . . . . B 63 ILE CG1 . 31301 1 215 . 5 . 2 65 65 ILE CG2 C 13 17.200 0.15 . 1 . . . . B 63 ILE CG2 . 31301 1 216 . 5 . 2 65 65 ILE CD1 C 13 13.700 0.15 . 1 . . . . B 63 ILE CD1 . 31301 1 217 . 5 . 2 65 65 ILE N N 15 124.100 0.75 . 1 . . . . B 63 ILE N . 31301 1 218 . 5 . 2 66 66 GLY C C 13 171.100 0.15 . 1 . . . . B 64 GLY C . 31301 1 219 . 5 . 2 66 66 GLY CA C 13 44.200 0.15 . 1 . . . . B 64 GLY CA . 31301 1 220 . 5 . 2 66 66 GLY N N 15 116.200 0.75 . 1 . . . . B 64 GLY N . 31301 1 221 . 5 . 2 67 67 ASN C C 13 175.100 0.15 . 1 . . . . B 65 ASN C . 31301 1 222 . 5 . 2 67 67 ASN CA C 13 51.100 0.15 . 1 . . . . B 65 ASN CA . 31301 1 223 . 5 . 2 67 67 ASN CB C 13 42.500 0.15 . 1 . . . . B 65 ASN CB . 31301 1 224 . 5 . 2 67 67 ASN CG C 13 177.000 0.15 . 1 . . . . B 65 ASN CG . 31301 1 225 . 5 . 2 67 67 ASN N N 15 117.100 0.75 . 1 . . . . B 65 ASN N . 31301 1 226 . 5 . 2 67 67 ASN ND2 N 15 114.900 0.75 . 1 . . . . B 65 ASN ND2 . 31301 1 227 . 5 . 2 68 68 HIS C C 13 175.100 0.15 . 1 . . . . B 66 HIS C . 31301 1 228 . 5 . 2 68 68 HIS CA C 13 57.300 0.15 . 1 . . . . B 66 HIS CA . 31301 1 229 . 5 . 2 68 68 HIS CB C 13 26.000 0.15 . 1 . . . . B 66 HIS CB . 31301 1 230 . 5 . 2 68 68 HIS CG C 13 129.800 0.15 . 1 . . . . B 66 HIS CG . 31301 1 231 . 5 . 2 68 68 HIS CD2 C 13 119.300 0.15 . 1 . . . . B 66 HIS CD2 . 31301 1 232 . 5 . 2 68 68 HIS CE1 C 13 137.900 0.15 . 1 . . . . B 66 HIS CE1 . 31301 1 233 . 5 . 2 68 68 HIS N N 15 111.300 0.75 . 1 . . . . B 66 HIS N . 31301 1 234 . 5 . 2 69 69 ASN C C 13 175.000 0.15 . 1 . . . . B 67 ASN C . 31301 1 235 . 5 . 2 69 69 ASN CA C 13 52.800 0.15 . 1 . . . . B 67 ASN CA . 31301 1 236 . 5 . 2 69 69 ASN CB C 13 39.900 0.15 . 1 . . . . B 67 ASN CB . 31301 1 237 . 5 . 2 69 69 ASN CG C 13 176.000 0.15 . 1 . . . . B 67 ASN CG . 31301 1 238 . 5 . 2 69 69 ASN N N 15 117.700 0.75 . 1 . . . . B 67 ASN N . 31301 1 239 . 5 . 2 69 69 ASN ND2 N 15 114.500 0.75 . 1 . . . . B 67 ASN ND2 . 31301 1 240 . 5 . 2 70 70 ALA C C 13 176.000 0.15 . 1 . . . . B 68 ALA C . 31301 1 241 . 5 . 2 70 70 ALA CA C 13 50.900 0.15 . 1 . . . . B 68 ALA CA . 31301 1 242 . 5 . 2 70 70 ALA CB C 13 22.500 0.15 . 1 . . . . B 68 ALA CB . 31301 1 243 . 5 . 2 70 70 ALA N N 15 122.600 0.75 . 1 . . . . B 68 ALA N . 31301 1 244 . 5 . 2 71 71 MET C C 13 173.900 0.15 . 1 . . . . B 69 MET C . 31301 1 245 . 5 . 2 71 71 MET CA C 13 54.400 0.15 . 1 . . . . B 69 MET CA . 31301 1 246 . 5 . 2 71 71 MET CB C 13 38.700 0.15 . 1 . . . . B 69 MET CB . 31301 1 247 . 5 . 2 71 71 MET CG C 13 30.700 0.15 . 1 . . . . B 69 MET CG . 31301 1 248 . 5 . 2 71 71 MET CE C 13 15.300 0.15 . 1 . . . . B 69 MET CE . 31301 1 249 . 5 . 2 71 71 MET N N 15 126.100 0.75 . 1 . . . . B 69 MET N . 31301 1 250 . 5 . 2 72 72 SER C C 13 173.100 0.15 . 1 . . . . B 70 SER C . 31301 1 251 . 5 . 2 72 72 SER CA C 13 55.000 0.15 . 1 . . . . B 70 SER CA . 31301 1 252 . 5 . 2 72 72 SER CB C 13 64.700 0.15 . 1 . . . . B 70 SER CB . 31301 1 253 . 5 . 2 72 72 SER N N 15 119.100 0.75 . 1 . . . . B 70 SER N . 31301 1 254 . 5 . 2 73 73 ILE C C 13 175.900 0.15 . 1 . . . . B 71 ILE C . 31301 1 255 . 5 . 2 73 73 ILE CA C 13 60.200 0.15 . 1 . . . . B 71 ILE CA . 31301 1 256 . 5 . 2 73 73 ILE CB C 13 42.600 0.15 . 1 . . . . B 71 ILE CB . 31301 1 257 . 5 . 2 73 73 ILE CG1 C 13 27.700 0.15 . 1 . . . . B 71 ILE CG1 . 31301 1 258 . 5 . 2 73 73 ILE CG2 C 13 17.400 0.15 . 1 . . . . B 71 ILE CG2 . 31301 1 259 . 5 . 2 73 73 ILE CD1 C 13 13.900 0.15 . 1 . . . . B 71 ILE CD1 . 31301 1 260 . 5 . 2 73 73 ILE N N 15 126.000 0.75 . 1 . . . . B 71 ILE N . 31301 1 261 . 5 . 2 74 74 ALA C C 13 175.400 0.15 . 1 . . . . B 72 ALA C . 31301 1 262 . 5 . 2 74 74 ALA CA C 13 50.300 0.15 . 1 . . . . B 72 ALA CA . 31301 1 263 . 5 . 2 74 74 ALA CB C 13 20.900 0.15 . 1 . . . . B 72 ALA CB . 31301 1 264 . 5 . 2 74 74 ALA N N 15 131.400 0.75 . 1 . . . . B 72 ALA N . 31301 1 265 . 5 . 2 75 75 SER C C 13 173.100 0.15 . 1 . . . . B 73 SER C . 31301 1 266 . 5 . 2 75 75 SER CA C 13 56.100 0.15 . 1 . . . . B 73 SER CA . 31301 1 267 . 5 . 2 75 75 SER CB C 13 64.700 0.15 . 1 . . . . B 73 SER CB . 31301 1 268 . 5 . 2 75 75 SER N N 15 116.000 0.75 . 1 . . . . B 73 SER N . 31301 1 269 . 5 . 2 76 76 CYS C C 13 175.000 0.15 . 1 . . . . B 74 CYS C . 31301 1 270 . 5 . 2 76 76 CYS CB C 13 32.300 0.15 . 1 . . . . B 74 CYS CB . 31301 1 271 . 5 . 2 77 77 TRP C C 13 174.900 0.15 . 1 . . . . B 75 TRP C . 31301 1 272 . 5 . 2 77 77 TRP CA C 13 57.800 0.15 . 1 . . . . B 75 TRP CA . 31301 1 273 . 5 . 2 77 77 TRP CB C 13 30.300 0.15 . 1 . . . . B 75 TRP CB . 31301 1 274 . 5 . 2 77 77 TRP CG C 13 111.200 0.15 . 1 . . . . B 75 TRP CG . 31301 1 275 . 5 . 2 77 77 TRP CE2 C 13 138.200 0.15 . 1 . . . . B 75 TRP CE2 . 31301 1 276 . 5 . 2 77 77 TRP CE3 C 13 119.800 0.15 . 1 . . . . B 75 TRP CE3 . 31301 1 277 . 5 . 2 77 77 TRP CH2 C 13 123.700 0.15 . 1 . . . . B 75 TRP CH2 . 31301 1 stop_ save_