################################### # 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 51775 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'R77E assignment' _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 '2D 1H-15N TROSY' . . . 51775 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 . . 51775 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 GLY H H 1 8.5640 0.0000 . 1 . . . . . -1 GLY HN . 51775 1 2 . 1 . 1 2 2 GLY N N 15 110.1540 0.0000 . 1 . . . . . -1 GLY N . 51775 1 3 . 1 . 1 3 3 MET H H 1 8.2860 0.0000 . 1 . . . . . 0 MET HN . 51775 1 4 . 1 . 1 3 3 MET N N 15 120.6460 0.0000 . 1 . . . . . 0 MET N . 51775 1 5 . 1 . 1 4 4 SER H H 1 8.4080 0.0000 . 1 . . . . . 1 SER HN . 51775 1 6 . 1 . 1 4 4 SER N N 15 117.5720 0.0000 . 1 . . . . . 1 SER N . 51775 1 7 . 1 . 1 5 5 GLY H H 1 8.4330 0.0000 . 1 . . . . . 2 GLY HN . 51775 1 8 . 1 . 1 5 5 GLY N N 15 111.2940 0.0000 . 1 . . . . . 2 GLY N . 51775 1 9 . 1 . 1 6 6 ARG H H 1 8.1850 0.0000 . 1 . . . . . 3 ARG HN . 51775 1 10 . 1 . 1 6 6 ARG N N 15 120.8170 0.0000 . 1 . . . . . 3 ARG N . 51775 1 11 . 1 . 1 7 7 GLY H H 1 8.4450 0.0000 . 1 . . . . . 4 GLY HN . 51775 1 12 . 1 . 1 7 7 GLY N N 15 110.3150 0.0000 . 1 . . . . . 4 GLY N . 51775 1 13 . 1 . 1 8 8 LYS H H 1 8.2270 0.0000 . 1 . . . . . 5 LYS HN . 51775 1 14 . 1 . 1 8 8 LYS N N 15 121.4930 0.0000 . 1 . . . . . 5 LYS N . 51775 1 15 . 1 . 1 9 9 GLN H H 1 8.4900 0.0000 . 1 . . . . . 6 GLN HN . 51775 1 16 . 1 . 1 9 9 GLN N N 15 121.8700 0.0000 . 1 . . . . . 6 GLN N . 51775 1 17 . 1 . 1 10 10 GLY H H 1 8.4340 0.0000 . 1 . . . . . 7 GLY HN . 51775 1 18 . 1 . 1 10 10 GLY N N 15 110.6950 0.0000 . 1 . . . . . 7 GLY N . 51775 1 19 . 1 . 1 11 11 GLY H H 1 8.2850 0.0000 . 1 . . . . . 8 GLY HN . 51775 1 20 . 1 . 1 11 11 GLY N N 15 109.3620 0.0000 . 1 . . . . . 8 GLY N . 51775 1 21 . 1 . 1 12 12 LYS H H 1 8.2000 0.0000 . 1 . . . . . 9 LYS HN . 51775 1 22 . 1 . 1 12 12 LYS N N 15 121.5680 0.0000 . 1 . . . . . 9 LYS N . 51775 1 23 . 1 . 1 13 13 ALA H H 1 8.2900 0.0000 . 1 . . . . . 10 ALA HN . 51775 1 24 . 1 . 1 13 13 ALA N N 15 125.5960 0.0000 . 1 . . . . . 10 ALA N . 51775 1 25 . 1 . 1 14 14 ARG H H 1 8.2830 0.0000 . 1 . . . . . 11 ARG HN . 51775 1 26 . 1 . 1 14 14 ARG N N 15 121.1300 0.0000 . 1 . . . . . 11 ARG N . 51775 1 27 . 1 . 1 15 15 ALA H H 1 8.2710 0.0000 . 1 . . . . . 12 ALA HN . 51775 1 28 . 1 . 1 15 15 ALA N N 15 125.7920 0.0000 . 1 . . . . . 12 ALA N . 51775 1 29 . 1 . 1 16 16 LYS H H 1 8.2620 0.0000 . 1 . . . . . 13 LYS HN . 51775 1 30 . 1 . 1 16 16 LYS N N 15 121.3520 0.0000 . 1 . . . . . 13 LYS N . 51775 1 31 . 1 . 1 17 17 ALA H H 1 8.2950 0.0000 . 1 . . . . . 14 ALA HN . 51775 1 32 . 1 . 1 17 17 ALA N N 15 125.9180 0.0000 . 1 . . . . . 14 ALA N . 51775 1 33 . 1 . 1 18 18 LYS H H 1 8.3780 0.0000 . 1 . . . . . 15 LYS HN . 51775 1 34 . 1 . 1 18 18 LYS N N 15 121.5670 0.0000 . 1 . . . . . 15 LYS N . 51775 1 35 . 1 . 1 19 19 THR H H 1 8.1690 0.0000 . 1 . . . . . 16 THR HN . 51775 1 36 . 1 . 1 19 19 THR N N 15 115.7820 0.0000 . 1 . . . . . 16 THR N . 51775 1 37 . 1 . 1 20 20 ARG H H 1 8.4720 0.0000 . 1 . . . . . 17 ARG HN . 51775 1 38 . 1 . 1 20 20 ARG N N 15 124.1280 0.0000 . 1 . . . . . 17 ARG N . 51775 1 39 . 1 . 1 21 21 SER H H 1 8.4590 0.0000 . 1 . . . . . 18 SER HN . 51775 1 40 . 1 . 1 21 21 SER N N 15 117.4280 0.0000 . 1 . . . . . 18 SER N . 51775 1 41 . 1 . 1 22 22 SER H H 1 8.3960 0.0000 . 1 . . . . . 19 SER HN . 51775 1 42 . 1 . 1 22 22 SER N N 15 119.1220 0.0000 . 1 . . . . . 19 SER N . 51775 1 43 . 1 . 1 23 23 ARG H H 1 8.3170 0.0000 . 1 . . . . . 20 ARG HN . 51775 1 44 . 1 . 1 23 23 ARG N N 15 123.5100 0.0000 . 1 . . . . . 20 ARG N . 51775 1 45 . 1 . 1 25 25 GLY H H 1 8.0200 0.0000 . 1 . . . . . 22 GLY HN . 51775 1 46 . 1 . 1 25 25 GLY N N 15 107.8340 0.0000 . 1 . . . . . 22 GLY N . 51775 1 47 . 1 . 1 26 26 LEU H H 1 8.0360 0.0000 . 1 . . . . . 23 LEU HN . 51775 1 48 . 1 . 1 26 26 LEU N N 15 121.5690 0.0000 . 1 . . . . . 23 LEU N . 51775 1 49 . 1 . 1 30 30 VAL H H 1 8.2470 0.0000 . 1 . . . . . 27 VAL HN . 51775 1 50 . 1 . 1 30 30 VAL N N 15 128.3790 0.0000 . 1 . . . . . 27 VAL N . 51775 1 51 . 1 . 1 31 31 GLY H H 1 8.7990 0.0000 . 1 . . . . . 28 GLY HN . 51775 1 52 . 1 . 1 31 31 GLY N N 15 107.7810 0.0000 . 1 . . . . . 28 GLY N . 51775 1 53 . 1 . 1 32 32 ARG H H 1 7.2530 0.0000 . 1 . . . . . 29 ARG HN . 51775 1 54 . 1 . 1 32 32 ARG N N 15 121.8370 0.0000 . 1 . . . . . 29 ARG N . 51775 1 55 . 1 . 1 33 33 VAL H H 1 7.7600 0.0000 . 1 . . . . . 30 VAL HN . 51775 1 56 . 1 . 1 33 33 VAL N N 15 119.6350 0.0000 . 1 . . . . . 30 VAL N . 51775 1 57 . 1 . 1 34 34 HIS H H 1 8.7670 0.0000 . 1 . . . . . 31 HIS HN . 51775 1 58 . 1 . 1 34 34 HIS N N 15 120.3430 0.0000 . 1 . . . . . 31 HIS N . 51775 1 59 . 1 . 1 35 35 ARG H H 1 8.0060 0.0000 . 1 . . . . . 32 ARG HN . 51775 1 60 . 1 . 1 35 35 ARG N N 15 118.7860 0.0000 . 1 . . . . . 32 ARG N . 51775 1 61 . 1 . 1 36 36 LEU H H 1 8.3740 0.0000 . 1 . . . . . 33 LEU HN . 51775 1 62 . 1 . 1 36 36 LEU N N 15 120.0320 0.0000 . 1 . . . . . 33 LEU N . 51775 1 63 . 1 . 1 37 37 LEU H H 1 8.4310 0.0000 . 1 . . . . . 34 LEU HN . 51775 1 64 . 1 . 1 37 37 LEU N N 15 120.0700 0.0000 . 1 . . . . . 34 LEU N . 51775 1 65 . 1 . 1 38 38 ARG H H 1 8.0200 0.0000 . 1 . . . . . 35 ARG HN . 51775 1 66 . 1 . 1 38 38 ARG N N 15 118.3350 0.0000 . 1 . . . . . 35 ARG N . 51775 1 67 . 1 . 1 40 40 GLY H H 1 7.6150 0.0000 . 1 . . . . . 37 GLY HN . 51775 1 68 . 1 . 1 40 40 GLY N N 15 104.5890 0.0000 . 1 . . . . . 37 GLY N . 51775 1 69 . 1 . 1 41 41 ASN H H 1 7.9220 0.0000 . 1 . . . . . 38 ASN HN . 51775 1 70 . 1 . 1 41 41 ASN N N 15 115.8050 0.0000 . 1 . . . . . 38 ASN N . 51775 1 71 . 1 . 1 42 42 TYR H H 1 7.8280 0.0000 . 1 . . . . . 39 TYR HN . 51775 1 72 . 1 . 1 42 42 TYR N N 15 117.2220 0.0000 . 1 . . . . . 39 TYR N . 51775 1 73 . 1 . 1 43 43 SER H H 1 8.0210 0.0000 . 1 . . . . . 40 SER HN . 51775 1 74 . 1 . 1 43 43 SER N N 15 112.0750 0.0000 . 1 . . . . . 40 SER N . 51775 1 75 . 1 . 1 44 44 GLU H H 1 8.5290 0.0000 . 1 . . . . . 41 GLU HN . 51775 1 76 . 1 . 1 44 44 GLU N N 15 121.8830 0.0000 . 1 . . . . . 41 GLU N . 51775 1 77 . 1 . 1 45 45 ARG H H 1 8.1710 0.0000 . 1 . . . . . 42 ARG HN . 51775 1 78 . 1 . 1 45 45 ARG N N 15 116.2090 0.0000 . 1 . . . . . 42 ARG N . 51775 1 79 . 1 . 1 46 46 VAL H H 1 8.8980 0.0000 . 1 . . . . . 43 VAL HN . 51775 1 80 . 1 . 1 46 46 VAL N N 15 124.9400 0.0000 . 1 . . . . . 43 VAL N . 51775 1 81 . 1 . 1 47 47 GLY H H 1 9.1310 0.0000 . 1 . . . . . 44 GLY HN . 51775 1 82 . 1 . 1 47 47 GLY N N 15 116.4070 0.0000 . 1 . . . . . 44 GLY N . 51775 1 83 . 1 . 1 48 48 ALA H H 1 8.5290 0.0000 . 1 . . . . . 45 ALA HN . 51775 1 84 . 1 . 1 48 48 ALA N N 15 122.8650 0.0000 . 1 . . . . . 45 ALA N . 51775 1 85 . 1 . 1 49 49 GLY H H 1 8.6570 0.0000 . 1 . . . . . 46 GLY HN . 51775 1 86 . 1 . 1 49 49 GLY N N 15 105.4510 0.0000 . 1 . . . . . 46 GLY N . 51775 1 87 . 1 . 1 50 50 ALA H H 1 7.4720 0.0000 . 1 . . . . . 47 ALA HN . 51775 1 88 . 1 . 1 50 50 ALA N N 15 124.7470 0.0000 . 1 . . . . . 47 ALA N . 51775 1 89 . 1 . 1 52 52 VAL H H 1 6.2970 0.0000 . 1 . . . . . 49 VAL HN . 51775 1 90 . 1 . 1 52 52 VAL N N 15 118.5430 0.0000 . 1 . . . . . 49 VAL N . 51775 1 91 . 1 . 1 53 53 TYR H H 1 7.9330 0.0000 . 1 . . . . . 50 TYR HN . 51775 1 92 . 1 . 1 53 53 TYR N N 15 120.5000 0.0000 . 1 . . . . . 50 TYR N . 51775 1 93 . 1 . 1 54 54 LEU H H 1 8.3000 0.0000 . 1 . . . . . 51 LEU HN . 51775 1 94 . 1 . 1 54 54 LEU N N 15 115.9080 0.0000 . 1 . . . . . 51 LEU N . 51775 1 95 . 1 . 1 55 55 ALA H H 1 8.4820 0.0000 . 1 . . . . . 52 ALA HN . 51775 1 96 . 1 . 1 55 55 ALA N N 15 121.2090 0.0000 . 1 . . . . . 52 ALA N . 51775 1 97 . 1 . 1 56 56 ALA H H 1 7.8250 0.0000 . 1 . . . . . 53 ALA HN . 51775 1 98 . 1 . 1 56 56 ALA N N 15 119.0370 0.0000 . 1 . . . . . 53 ALA N . 51775 1 99 . 1 . 1 57 57 VAL H H 1 7.9240 0.0000 . 1 . . . . . 54 VAL HN . 51775 1 100 . 1 . 1 57 57 VAL N N 15 120.4200 0.0000 . 1 . . . . . 54 VAL N . 51775 1 101 . 1 . 1 58 58 LEU H H 1 8.3080 0.0000 . 1 . . . . . 55 LEU HN . 51775 1 102 . 1 . 1 58 58 LEU N N 15 118.5670 0.0000 . 1 . . . . . 55 LEU N . 51775 1 103 . 1 . 1 60 60 TYR H H 1 7.8930 0.0000 . 1 . . . . . 57 TYR HN . 51775 1 104 . 1 . 1 60 60 TYR N N 15 119.6940 0.0000 . 1 . . . . . 57 TYR N . 51775 1 105 . 1 . 1 61 61 LEU H H 1 8.0400 0.0000 . 1 . . . . . 58 LEU HN . 51775 1 106 . 1 . 1 61 61 LEU N N 15 117.5560 0.0000 . 1 . . . . . 58 LEU N . 51775 1 107 . 1 . 1 64 64 GLU H H 1 7.9880 0.0000 . 1 . . . . . 61 GLU HN . 51775 1 108 . 1 . 1 64 64 GLU N N 15 119.6530 0.0000 . 1 . . . . . 61 GLU N . 51775 1 109 . 1 . 1 65 65 ILE H H 1 7.9320 0.0000 . 1 . . . . . 62 ILE HN . 51775 1 110 . 1 . 1 65 65 ILE N N 15 117.5340 0.0000 . 1 . . . . . 62 ILE N . 51775 1 111 . 1 . 1 67 67 GLU H H 1 9.0460 0.0000 . 1 . . . . . 64 GLU HN . 51775 1 112 . 1 . 1 67 67 GLU N N 15 123.1090 0.0000 . 1 . . . . . 64 GLU N . 51775 1 113 . 1 . 1 68 68 LEU H H 1 7.6300 0.0000 . 1 . . . . . 65 LEU HN . 51775 1 114 . 1 . 1 68 68 LEU N N 15 119.5300 0.0000 . 1 . . . . . 65 LEU N . 51775 1 115 . 1 . 1 69 69 ALA H H 1 9.3910 0.0000 . 1 . . . . . 66 ALA HN . 51775 1 116 . 1 . 1 69 69 ALA N N 15 124.7450 0.0000 . 1 . . . . . 66 ALA N . 51775 1 117 . 1 . 1 70 70 GLY H H 1 8.8340 0.0000 . 1 . . . . . 67 GLY HN . 51775 1 118 . 1 . 1 70 70 GLY N N 15 105.6220 0.0000 . 1 . . . . . 67 GLY N . 51775 1 119 . 1 . 1 71 71 ASN H H 1 7.6530 0.0000 . 1 . . . . . 68 ASN HN . 51775 1 120 . 1 . 1 71 71 ASN N N 15 123.5050 0.0000 . 1 . . . . . 68 ASN N . 51775 1 121 . 1 . 1 72 72 ALA H H 1 7.4600 0.0000 . 1 . . . . . 69 ALA HN . 51775 1 122 . 1 . 1 72 72 ALA N N 15 123.3250 0.0000 . 1 . . . . . 69 ALA N . 51775 1 123 . 1 . 1 73 73 ALA H H 1 7.7110 0.0000 . 1 . . . . . 70 ALA HN . 51775 1 124 . 1 . 1 73 73 ALA N N 15 122.5380 0.0000 . 1 . . . . . 70 ALA N . 51775 1 125 . 1 . 1 74 74 ARG H H 1 7.7220 0.0000 . 1 . . . . . 71 ARG HN . 51775 1 126 . 1 . 1 74 74 ARG N N 15 119.5530 0.0000 . 1 . . . . . 71 ARG N . 51775 1 127 . 1 . 1 75 75 ASP H H 1 8.4990 0.0000 . 1 . . . . . 72 ASP HN . 51775 1 128 . 1 . 1 75 75 ASP N N 15 122.8070 0.0000 . 1 . . . . . 72 ASP N . 51775 1 129 . 1 . 1 76 76 ASN H H 1 7.3620 0.0000 . 1 . . . . . 73 ASN HN . 51775 1 130 . 1 . 1 76 76 ASN N N 15 117.2280 0.0000 . 1 . . . . . 73 ASN N . 51775 1 131 . 1 . 1 77 77 LYS H H 1 8.1170 0.0000 . 1 . . . . . 74 LYS HN . 51775 1 132 . 1 . 1 77 77 LYS N N 15 115.6280 0.0000 . 1 . . . . . 74 LYS N . 51775 1 133 . 1 . 1 78 78 LYS H H 1 8.1600 0.0000 . 1 . . . . . 75 LYS HN . 51775 1 134 . 1 . 1 78 78 LYS N N 15 117.3260 0.0000 . 1 . . . . . 75 LYS N . 51775 1 135 . 1 . 1 79 79 THR H H 1 8.4930 0.0000 . 1 . . . . . 76 THR HN . 51775 1 136 . 1 . 1 79 79 THR N N 15 109.9490 0.0000 . 1 . . . . . 76 THR N . 51775 1 137 . 1 . 1 80 80 GLU H H 1 7.0930 0.0000 . 1 . . . . . 77 GLU HN . 51775 1 138 . 1 . 1 80 80 GLU N N 15 120.6100 0.0000 . 1 . . . . . 77 GLU N . 51775 1 139 . 1 . 1 81 81 ILE H H 1 8.4720 0.0000 . 1 . . . . . 78 ILE HN . 51775 1 140 . 1 . 1 81 81 ILE N N 15 125.6800 0.0000 . 1 . . . . . 78 ILE N . 51775 1 141 . 1 . 1 82 82 ILE H H 1 8.9720 0.0000 . 1 . . . . . 79 ILE HN . 51775 1 142 . 1 . 1 82 82 ILE N N 15 125.0530 0.0000 . 1 . . . . . 79 ILE N . 51775 1 143 . 1 . 1 84 84 ARG H H 1 8.4070 0.0000 . 1 . . . . . 81 ARG HN . 51775 1 144 . 1 . 1 84 84 ARG N N 15 116.3360 0.0000 . 1 . . . . . 81 ARG N . 51775 1 145 . 1 . 1 85 85 HIS H H 1 7.3480 0.0000 . 1 . . . . . 82 HIS HN . 51775 1 146 . 1 . 1 85 85 HIS N N 15 118.1350 0.0000 . 1 . . . . . 82 HIS N . 51775 1 147 . 1 . 1 86 86 LEU H H 1 7.1200 0.0000 . 1 . . . . . 83 LEU HN . 51775 1 148 . 1 . 1 86 86 LEU N N 15 117.1740 0.0000 . 1 . . . . . 83 LEU N . 51775 1 149 . 1 . 1 87 87 GLN H H 1 8.1050 0.0000 . 1 . . . . . 84 GLN HN . 51775 1 150 . 1 . 1 87 87 GLN N N 15 116.8010 0.0000 . 1 . . . . . 84 GLN N . 51775 1 151 . 1 . 1 88 88 LEU H H 1 8.1580 0.0000 . 1 . . . . . 85 LEU HN . 51775 1 152 . 1 . 1 88 88 LEU N N 15 119.7880 0.0000 . 1 . . . . . 85 LEU N . 51775 1 153 . 1 . 1 89 89 ALA H H 1 7.7880 0.0000 . 1 . . . . . 86 ALA HN . 51775 1 154 . 1 . 1 89 89 ALA N N 15 120.0130 0.0000 . 1 . . . . . 86 ALA N . 51775 1 155 . 1 . 1 90 90 ILE H H 1 7.6080 0.0000 . 1 . . . . . 87 ILE HN . 51775 1 156 . 1 . 1 90 90 ILE N N 15 113.9320 0.0000 . 1 . . . . . 87 ILE N . 51775 1 157 . 1 . 1 91 91 ARG H H 1 7.8650 0.0000 . 1 . . . . . 88 ARG HN . 51775 1 158 . 1 . 1 91 91 ARG N N 15 115.1390 0.0000 . 1 . . . . . 88 ARG N . 51775 1 159 . 1 . 1 92 92 ASN H H 1 7.7000 0.0000 . 1 . . . . . 89 ASN HN . 51775 1 160 . 1 . 1 92 92 ASN N N 15 113.5260 0.0000 . 1 . . . . . 89 ASN N . 51775 1 161 . 1 . 1 93 93 ASP H H 1 7.3290 0.0000 . 1 . . . . . 90 ASP HN . 51775 1 162 . 1 . 1 93 93 ASP N N 15 122.6470 0.0000 . 1 . . . . . 90 ASP N . 51775 1 163 . 1 . 1 94 94 GLU H H 1 8.8710 0.0000 . 1 . . . . . 91 GLU HN . 51775 1 164 . 1 . 1 94 94 GLU N N 15 126.5420 0.0000 . 1 . . . . . 91 GLU N . 51775 1 165 . 1 . 1 95 95 GLU H H 1 8.1270 0.0000 . 1 . . . . . 92 GLU HN . 51775 1 166 . 1 . 1 95 95 GLU N N 15 117.9170 0.0000 . 1 . . . . . 92 GLU N . 51775 1 167 . 1 . 1 96 96 LEU H H 1 9.2030 0.0000 . 1 . . . . . 93 LEU HN . 51775 1 168 . 1 . 1 96 96 LEU N N 15 121.2940 0.0000 . 1 . . . . . 93 LEU N . 51775 1 169 . 1 . 1 97 97 ASN H H 1 9.0400 0.0000 . 1 . . . . . 94 ASN HN . 51775 1 170 . 1 . 1 97 97 ASN N N 15 119.4560 0.0000 . 1 . . . . . 94 ASN N . 51775 1 171 . 1 . 1 98 98 LYS H H 1 7.5860 0.0000 . 1 . . . . . 95 LYS HN . 51775 1 172 . 1 . 1 98 98 LYS N N 15 119.8420 0.0000 . 1 . . . . . 95 LYS N . 51775 1 173 . 1 . 1 99 99 LEU H H 1 7.8850 0.0000 . 1 . . . . . 96 LEU HN . 51775 1 174 . 1 . 1 99 99 LEU N N 15 119.2890 0.0000 . 1 . . . . . 96 LEU N . 51775 1 175 . 1 . 1 100 100 LEU H H 1 8.6790 0.0000 . 1 . . . . . 97 LEU HN . 51775 1 176 . 1 . 1 100 100 LEU N N 15 116.1840 0.0000 . 1 . . . . . 97 LEU N . 51775 1 177 . 1 . 1 101 101 GLY H H 1 8.0580 0.0000 . 1 . . . . . 98 GLY HN . 51775 1 178 . 1 . 1 101 101 GLY N N 15 110.0420 0.0000 . 1 . . . . . 98 GLY N . 51775 1 179 . 1 . 1 102 102 ARG H H 1 8.1540 0.0000 . 1 . . . . . 99 ARG HN . 51775 1 180 . 1 . 1 102 102 ARG N N 15 118.6650 0.0000 . 1 . . . . . 99 ARG N . 51775 1 181 . 1 . 1 103 103 VAL H H 1 7.8100 0.0000 . 1 . . . . . 100 VAL HN . 51775 1 182 . 1 . 1 103 103 VAL N N 15 121.1590 0.0000 . 1 . . . . . 100 VAL N . 51775 1 183 . 1 . 1 104 104 THR H H 1 8.2920 0.0000 . 1 . . . . . 101 THR HN . 51775 1 184 . 1 . 1 104 104 THR N N 15 120.1860 0.0000 . 1 . . . . . 101 THR N . 51775 1 185 . 1 . 1 105 105 ILE H H 1 8.2250 0.0000 . 1 . . . . . 102 ILE HN . 51775 1 186 . 1 . 1 105 105 ILE N N 15 124.1860 0.0000 . 1 . . . . . 102 ILE N . 51775 1 187 . 1 . 1 106 106 ALA H H 1 8.2330 0.0000 . 1 . . . . . 103 ALA HN . 51775 1 188 . 1 . 1 106 106 ALA N N 15 127.4740 0.0000 . 1 . . . . . 103 ALA N . 51775 1 189 . 1 . 1 107 107 GLN H H 1 8.2950 0.0000 . 1 . . . . . 104 GLN HN . 51775 1 190 . 1 . 1 107 107 GLN N N 15 119.8090 0.0000 . 1 . . . . . 104 GLN N . 51775 1 191 . 1 . 1 108 108 GLY H H 1 8.3560 0.0000 . 1 . . . . . 105 GLY HN . 51775 1 192 . 1 . 1 108 108 GLY N N 15 110.1380 0.0000 . 1 . . . . . 105 GLY N . 51775 1 193 . 1 . 1 109 109 GLY H H 1 8.2090 0.0000 . 1 . . . . . 106 GLY HN . 51775 1 194 . 1 . 1 109 109 GLY N N 15 109.1650 0.0000 . 1 . . . . . 106 GLY N . 51775 1 195 . 1 . 1 110 110 VAL H H 1 7.9660 0.0000 . 1 . . . . . 107 VAL HN . 51775 1 196 . 1 . 1 110 110 VAL N N 15 119.3880 0.0000 . 1 . . . . . 107 VAL N . 51775 1 197 . 1 . 1 111 111 LEU H H 1 8.3490 0.0000 . 1 . . . . . 108 LEU HN . 51775 1 198 . 1 . 1 111 111 LEU N N 15 127.7130 0.0000 . 1 . . . . . 108 LEU N . 51775 1 199 . 1 . 1 113 113 ASN H H 1 8.4330 0.0000 . 1 . . . . . 110 ASN HN . 51775 1 200 . 1 . 1 113 113 ASN N N 15 119.1540 0.0000 . 1 . . . . . 110 ASN N . 51775 1 201 . 1 . 1 114 114 ILE H H 1 8.0760 0.0000 . 1 . . . . . 111 ILE HN . 51775 1 202 . 1 . 1 114 114 ILE N N 15 121.7830 0.0000 . 1 . . . . . 111 ILE N . 51775 1 203 . 1 . 1 115 115 GLN H H 1 8.3480 0.0000 . 1 . . . . . 112 GLN HN . 51775 1 204 . 1 . 1 115 115 GLN N N 15 124.4120 0.0000 . 1 . . . . . 112 GLN N . 51775 1 205 . 1 . 1 116 116 ALA H H 1 8.2250 0.0000 . 1 . . . . . 113 ALA HN . 51775 1 206 . 1 . 1 116 116 ALA N N 15 125.9320 0.0000 . 1 . . . . . 113 ALA N . 51775 1 207 . 1 . 1 117 117 VAL H H 1 8.0220 0.0000 . 1 . . . . . 114 VAL HN . 51775 1 208 . 1 . 1 117 117 VAL N N 15 119.9060 0.0000 . 1 . . . . . 114 VAL N . 51775 1 209 . 1 . 1 118 118 LEU H H 1 8.2250 0.0000 . 1 . . . . . 115 LEU HN . 51775 1 210 . 1 . 1 118 118 LEU N N 15 126.6460 0.0000 . 1 . . . . . 115 LEU N . 51775 1 211 . 1 . 1 119 119 LEU H H 1 8.1770 0.0000 . 1 . . . . . 116 LEU HN . 51775 1 212 . 1 . 1 119 119 LEU N N 15 125.3590 0.0000 . 1 . . . . . 116 LEU N . 51775 1 213 . 1 . 1 121 121 LYS H H 1 8.3630 0.0000 . 1 . . . . . 118 LYS HN . 51775 1 214 . 1 . 1 121 121 LYS N N 15 122.4020 0.0000 . 1 . . . . . 118 LYS N . 51775 1 215 . 1 . 1 122 122 LYS H H 1 8.4070 0.0000 . 1 . . . . . 119 LYS HN . 51775 1 216 . 1 . 1 122 122 LYS N N 15 123.8690 0.0000 . 1 . . . . . 119 LYS N . 51775 1 217 . 1 . 1 123 123 THR H H 1 8.2110 0.0000 . 1 . . . . . 120 THR HN . 51775 1 218 . 1 . 1 123 123 THR N N 15 116.8760 0.0000 . 1 . . . . . 120 THR N . 51775 1 219 . 1 . 1 124 124 GLU H H 1 8.4490 0.0000 . 1 . . . . . 121 GLU HN . 51775 1 220 . 1 . 1 124 124 GLU N N 15 124.2980 0.0000 . 1 . . . . . 121 GLU N . 51775 1 221 . 1 . 1 125 125 SER H H 1 8.3710 0.0000 . 1 . . . . . 122 SER HN . 51775 1 222 . 1 . 1 125 125 SER N N 15 117.8140 0.0000 . 1 . . . . . 122 SER N . 51775 1 223 . 1 . 1 126 126 HIS H H 1 8.4590 0.0000 . 1 . . . . . 123 HIS HN . 51775 1 224 . 1 . 1 126 126 HIS N N 15 121.2830 0.0000 . 1 . . . . . 123 HIS N . 51775 1 225 . 1 . 1 128 128 LYS H H 1 8.3590 0.0000 . 1 . . . . . 125 LYS HN . 51775 1 226 . 1 . 1 128 128 LYS N N 15 124.0840 0.0000 . 1 . . . . . 125 LYS N . 51775 1 227 . 1 . 1 129 129 ALA H H 1 8.3850 0.0000 . 1 . . . . . 126 ALA HN . 51775 1 228 . 1 . 1 129 129 ALA N N 15 126.5420 0.0000 . 1 . . . . . 126 ALA N . 51775 1 229 . 1 . 1 130 130 LYS H H 1 8.3410 0.0000 . 1 . . . . . 127 LYS HN . 51775 1 230 . 1 . 1 130 130 LYS N N 15 121.6000 0.0000 . 1 . . . . . 127 LYS N . 51775 1 231 . 1 . 1 131 131 GLY H H 1 8.4040 0.0000 . 1 . . . . . 128 GLY HN . 51775 1 232 . 1 . 1 131 131 GLY N N 15 111.4920 0.0000 . 1 . . . . . 128 GLY N . 51775 1 233 . 1 . 1 132 132 LYS H H 1 7.8130 0.0000 . 1 . . . . . 129 LYS HN . 51775 1 234 . 1 . 1 132 132 LYS N N 15 126.3840 0.0000 . 1 . . . . . 129 LYS N . 51775 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 51775 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'H2B assignment' _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 '2D 1H-15N TROSY' . . . 51775 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 . . 51775 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 4 4 GLY H H 1 8.5590 0.0000 . 1 . . . . . -1 GLY HN . 51775 2 2 . 2 . 2 4 4 GLY N N 15 110.3540 0.0000 . 1 . . . . . -1 GLY N . 51775 2 3 . 2 . 2 5 5 MET H H 1 8.1250 0.0000 . 1 . . . . . 0 MET HN . 51775 2 4 . 2 . 2 5 5 MET N N 15 121.5010 0.0000 . 1 . . . . . 0 MET N . 51775 2 5 . 2 . 2 7 7 GLU H H 1 8.4590 0.0000 . 1 . . . . . 2 GLU HN . 51775 2 6 . 2 . 2 7 7 GLU N N 15 123.1140 0.0000 . 1 . . . . . 2 GLU N . 51775 2 7 . 2 . 2 9 9 ALA H H 1 8.3800 0.0000 . 1 . . . . . 4 ALA HN . 51775 2 8 . 2 . 2 9 9 ALA N N 15 124.4910 0.0000 . 1 . . . . . 4 ALA N . 51775 2 9 . 2 . 2 10 10 LYS H H 1 8.3030 0.0000 . 1 . . . . . 5 LYS HN . 51775 2 10 . 2 . 2 10 10 LYS N N 15 121.2100 0.0000 . 1 . . . . . 5 LYS N . 51775 2 11 . 2 . 2 11 11 SER H H 1 8.2230 0.0000 . 1 . . . . . 6 SER HN . 51775 2 12 . 2 . 2 11 11 SER N N 15 117.3500 0.0000 . 1 . . . . . 6 SER N . 51775 2 13 . 2 . 2 12 12 ALA H H 1 8.2900 0.0000 . 1 . . . . . 7 ALA HN . 51775 2 14 . 2 . 2 12 12 ALA N N 15 127.5140 0.0000 . 1 . . . . . 7 ALA N . 51775 2 15 . 2 . 2 14 14 ALA H H 1 8.3720 0.0000 . 1 . . . . . 9 ALA HN . 51775 2 16 . 2 . 2 14 14 ALA N N 15 126.1870 0.0000 . 1 . . . . . 9 ALA N . 51775 2 17 . 2 . 2 16 16 LYS H H 1 8.4090 0.0000 . 1 . . . . . 11 LYS HN . 51775 2 18 . 2 . 2 16 16 LYS N N 15 122.4760 0.0000 . 1 . . . . . 11 LYS N . 51775 2 19 . 2 . 2 17 17 LYS H H 1 8.4100 0.0000 . 1 . . . . . 12 LYS HN . 51775 2 20 . 2 . 2 17 17 LYS N N 15 123.8350 0.0000 . 1 . . . . . 12 LYS N . 51775 2 21 . 2 . 2 18 18 GLY H H 1 8.4660 0.0000 . 1 . . . . . 13 GLY HN . 51775 2 22 . 2 . 2 18 18 GLY N N 15 111.1960 0.0000 . 1 . . . . . 13 GLY N . 51775 2 23 . 2 . 2 19 19 SER H H 1 8.1700 0.0000 . 1 . . . . . 14 SER HN . 51775 2 24 . 2 . 2 19 19 SER N N 15 116.1310 0.0000 . 1 . . . . . 14 SER N . 51775 2 25 . 2 . 2 20 20 LYS H H 1 8.3940 0.0000 . 1 . . . . . 15 LYS HN . 51775 2 26 . 2 . 2 20 20 LYS N N 15 123.9420 0.0000 . 1 . . . . . 15 LYS N . 51775 2 27 . 2 . 2 21 21 LYS H H 1 8.2750 0.0000 . 1 . . . . . 16 LYS HN . 51775 2 28 . 2 . 2 21 21 LYS N N 15 123.5960 0.0000 . 1 . . . . . 16 LYS N . 51775 2 29 . 2 . 2 22 22 ALA H H 1 8.3150 0.0000 . 1 . . . . . 17 ALA HN . 51775 2 30 . 2 . 2 22 22 ALA N N 15 126.4880 0.0000 . 1 . . . . . 17 ALA N . 51775 2 31 . 2 . 2 23 23 VAL H H 1 8.1890 0.0000 . 1 . . . . . 18 VAL HN . 51775 2 32 . 2 . 2 23 23 VAL N N 15 120.7960 0.0000 . 1 . . . . . 18 VAL N . 51775 2 33 . 2 . 2 24 24 THR H H 1 8.2420 0.0000 . 1 . . . . . 19 THR HN . 51775 2 34 . 2 . 2 24 24 THR N N 15 119.4920 0.0000 . 1 . . . . . 19 THR N . 51775 2 35 . 2 . 2 25 25 LYS H H 1 8.3630 0.0000 . 1 . . . . . 20 LYS HN . 51775 2 36 . 2 . 2 25 25 LYS N N 15 124.7950 0.0000 . 1 . . . . . 20 LYS N . 51775 2 37 . 2 . 2 26 26 ALA H H 1 8.2990 0.0000 . 1 . . . . . 21 ALA HN . 51775 2 38 . 2 . 2 26 26 ALA N N 15 125.8700 0.0000 . 1 . . . . . 21 ALA N . 51775 2 39 . 2 . 2 27 27 GLN H H 1 8.3260 0.0000 . 1 . . . . . 22 GLN HN . 51775 2 40 . 2 . 2 27 27 GLN N N 15 120.6160 0.0000 . 1 . . . . . 22 GLN N . 51775 2 41 . 2 . 2 28 28 LYS H H 1 8.3720 0.0000 . 1 . . . . . 23 LYS HN . 51775 2 42 . 2 . 2 28 28 LYS N N 15 123.8590 0.0000 . 1 . . . . . 23 LYS N . 51775 2 43 . 2 . 2 29 29 LYS H H 1 8.3880 0.0000 . 1 . . . . . 24 LYS HN . 51775 2 44 . 2 . 2 29 29 LYS N N 15 124.0560 0.0000 . 1 . . . . . 24 LYS N . 51775 2 45 . 2 . 2 30 30 ASP H H 1 8.3350 0.0000 . 1 . . . . . 25 ASP HN . 51775 2 46 . 2 . 2 30 30 ASP N N 15 122.0570 0.0000 . 1 . . . . . 25 ASP N . 51775 2 47 . 2 . 2 31 31 GLY H H 1 8.3230 0.0000 . 1 . . . . . 26 GLY HN . 51775 2 48 . 2 . 2 31 31 GLY N N 15 109.9560 0.0000 . 1 . . . . . 26 GLY N . 51775 2 49 . 2 . 2 32 32 LYS H H 1 8.1640 0.0000 . 1 . . . . . 27 LYS HN . 51775 2 50 . 2 . 2 32 32 LYS N N 15 121.2870 0.0000 . 1 . . . . . 27 LYS N . 51775 2 51 . 2 . 2 33 33 LYS H H 1 8.2370 0.0000 . 1 . . . . . 28 LYS HN . 51775 2 52 . 2 . 2 33 33 LYS N N 15 122.7510 0.0000 . 1 . . . . . 28 LYS N . 51775 2 53 . 2 . 2 34 34 ARG H H 1 8.4200 0.0000 . 1 . . . . . 29 ARG HN . 51775 2 54 . 2 . 2 34 34 ARG N N 15 123.6370 0.0000 . 1 . . . . . 29 ARG N . 51775 2 55 . 2 . 2 35 35 LYS H H 1 8.3070 0.0000 . 1 . . . . . 30 LYS HN . 51775 2 56 . 2 . 2 35 35 LYS N N 15 123.2030 0.0000 . 1 . . . . . 30 LYS N . 51775 2 57 . 2 . 2 36 36 ARG H H 1 8.2950 0.0000 . 1 . . . . . 31 ARG HN . 51775 2 58 . 2 . 2 36 36 ARG N N 15 123.2850 0.0000 . 1 . . . . . 31 ARG N . 51775 2 59 . 2 . 2 37 37 SER H H 1 8.4150 0.0000 . 1 . . . . . 32 SER HN . 51775 2 60 . 2 . 2 37 37 SER N N 15 118.5080 0.0000 . 1 . . . . . 32 SER N . 51775 2 61 . 2 . 2 38 38 ARG H H 1 8.4750 0.0000 . 1 . . . . . 33 ARG HN . 51775 2 62 . 2 . 2 38 38 ARG N N 15 124.0870 0.0000 . 1 . . . . . 33 ARG N . 51775 2 63 . 2 . 2 39 39 LYS H H 1 8.3750 0.0000 . 1 . . . . . 34 LYS HN . 51775 2 64 . 2 . 2 39 39 LYS N N 15 124.0650 0.0000 . 1 . . . . . 34 LYS N . 51775 2 65 . 2 . 2 40 40 GLU H H 1 8.2300 0.0000 . 1 . . . . . 35 GLU HN . 51775 2 66 . 2 . 2 40 40 GLU N N 15 123.3780 0.0000 . 1 . . . . . 35 GLU N . 51775 2 67 . 2 . 2 41 41 SER H H 1 8.6020 0.0000 . 1 . . . . . 36 SER HN . 51775 2 68 . 2 . 2 41 41 SER N N 15 117.0330 0.0000 . 1 . . . . . 36 SER N . 51775 2 69 . 2 . 2 47 47 TYR H H 1 8.2960 0.0000 . 1 . . . . . 42 TYR HN . 51775 2 70 . 2 . 2 47 47 TYR N N 15 118.4070 0.0000 . 1 . . . . . 42 TYR N . 51775 2 71 . 2 . 2 48 48 LYS H H 1 7.4850 0.0000 . 1 . . . . . 43 LYS HN . 51775 2 72 . 2 . 2 48 48 LYS N N 15 117.7710 0.0000 . 1 . . . . . 43 LYS N . 51775 2 73 . 2 . 2 49 49 VAL H H 1 7.9400 0.0000 . 1 . . . . . 44 VAL HN . 51775 2 74 . 2 . 2 49 49 VAL N N 15 120.1320 0.0000 . 1 . . . . . 44 VAL N . 51775 2 75 . 2 . 2 50 50 LEU H H 1 8.5370 0.0000 . 1 . . . . . 45 LEU HN . 51775 2 76 . 2 . 2 50 50 LEU N N 15 121.9560 0.0000 . 1 . . . . . 45 LEU N . 51775 2 77 . 2 . 2 51 51 LYS H H 1 7.7150 0.0000 . 1 . . . . . 46 LYS HN . 51775 2 78 . 2 . 2 51 51 LYS N N 15 114.6580 0.0000 . 1 . . . . . 46 LYS N . 51775 2 79 . 2 . 2 52 52 GLN H H 1 7.3070 0.0000 . 1 . . . . . 47 GLN HN . 51775 2 80 . 2 . 2 52 52 GLN N N 15 115.4980 0.0000 . 1 . . . . . 47 GLN N . 51775 2 81 . 2 . 2 53 53 VAL H H 1 7.6550 0.0000 . 1 . . . . . 48 VAL HN . 51775 2 82 . 2 . 2 53 53 VAL N N 15 113.6820 0.0000 . 1 . . . . . 48 VAL N . 51775 2 83 . 2 . 2 54 54 HIS H H 1 8.9120 0.0000 . 1 . . . . . 49 HIS HN . 51775 2 84 . 2 . 2 54 54 HIS N N 15 118.9990 0.0000 . 1 . . . . . 49 HIS N . 51775 2 85 . 2 . 2 56 56 ASP H H 1 8.3500 0.0000 . 1 . . . . . 51 ASP HN . 51775 2 86 . 2 . 2 56 56 ASP N N 15 115.8020 0.0000 . 1 . . . . . 51 ASP N . 51775 2 87 . 2 . 2 57 57 THR H H 1 7.8160 0.0000 . 1 . . . . . 52 THR HN . 51775 2 88 . 2 . 2 57 57 THR N N 15 119.0930 0.0000 . 1 . . . . . 52 THR N . 51775 2 89 . 2 . 2 58 58 GLY H H 1 8.6470 0.0000 . 1 . . . . . 53 GLY HN . 51775 2 90 . 2 . 2 58 58 GLY N N 15 113.6940 0.0000 . 1 . . . . . 53 GLY N . 51775 2 91 . 2 . 2 59 59 ILE H H 1 8.6880 0.0000 . 1 . . . . . 54 ILE HN . 51775 2 92 . 2 . 2 59 59 ILE N N 15 118.0850 0.0000 . 1 . . . . . 54 ILE N . 51775 2 93 . 2 . 2 60 60 SER H H 1 8.9440 0.0000 . 1 . . . . . 55 SER HN . 51775 2 94 . 2 . 2 60 60 SER N N 15 125.6810 0.0000 . 1 . . . . . 55 SER N . 51775 2 95 . 2 . 2 61 61 SER H H 1 9.2430 0.0000 . 1 . . . . . 56 SER HN . 51775 2 96 . 2 . 2 61 61 SER N N 15 118.4010 0.0000 . 1 . . . . . 56 SER N . 51775 2 97 . 2 . 2 62 62 LYS H H 1 8.5490 0.0000 . 1 . . . . . 57 LYS HN . 51775 2 98 . 2 . 2 62 62 LYS N N 15 121.6760 0.0000 . 1 . . . . . 57 LYS N . 51775 2 99 . 2 . 2 63 63 ALA H H 1 7.6620 0.0000 . 1 . . . . . 58 ALA HN . 51775 2 100 . 2 . 2 63 63 ALA N N 15 121.8820 0.0000 . 1 . . . . . 58 ALA N . 51775 2 101 . 2 . 2 64 64 MET H H 1 8.8570 0.0000 . 1 . . . . . 59 MET HN . 51775 2 102 . 2 . 2 64 64 MET N N 15 120.5140 0.0000 . 1 . . . . . 59 MET N . 51775 2 103 . 2 . 2 65 65 GLY H H 1 7.9600 0.0000 . 1 . . . . . 60 GLY HN . 51775 2 104 . 2 . 2 65 65 GLY N N 15 107.4690 0.0000 . 1 . . . . . 60 GLY N . 51775 2 105 . 2 . 2 66 66 ILE H H 1 7.2770 0.0000 . 1 . . . . . 61 ILE HN . 51775 2 106 . 2 . 2 66 66 ILE N N 15 123.9720 0.0000 . 1 . . . . . 61 ILE N . 51775 2 107 . 2 . 2 67 67 MET H H 1 8.0000 0.0000 . 1 . . . . . 62 MET HN . 51775 2 108 . 2 . 2 67 67 MET N N 15 118.4450 0.0000 . 1 . . . . . 62 MET N . 51775 2 109 . 2 . 2 68 68 ASN H H 1 8.6640 0.0000 . 1 . . . . . 63 ASN HN . 51775 2 110 . 2 . 2 68 68 ASN N N 15 117.6950 0.0000 . 1 . . . . . 63 ASN N . 51775 2 111 . 2 . 2 69 69 SER H H 1 8.0650 0.0000 . 1 . . . . . 64 SER HN . 51775 2 112 . 2 . 2 69 69 SER N N 15 119.0790 0.0000 . 1 . . . . . 64 SER N . 51775 2 113 . 2 . 2 70 70 PHE H H 1 8.4550 0.0000 . 1 . . . . . 65 PHE HN . 51775 2 114 . 2 . 2 70 70 PHE N N 15 122.4710 0.0000 . 1 . . . . . 65 PHE N . 51775 2 115 . 2 . 2 71 71 VAL H H 1 8.4750 0.0000 . 1 . . . . . 66 VAL HN . 51775 2 116 . 2 . 2 71 71 VAL N N 15 118.6010 0.0000 . 1 . . . . . 66 VAL N . 51775 2 117 . 2 . 2 72 72 ASN H H 1 8.0490 0.0000 . 1 . . . . . 67 ASN HN . 51775 2 118 . 2 . 2 72 72 ASN N N 15 115.5410 0.0000 . 1 . . . . . 67 ASN N . 51775 2 119 . 2 . 2 73 73 ASP H H 1 8.2070 0.0000 . 1 . . . . . 68 ASP HN . 51775 2 120 . 2 . 2 73 73 ASP N N 15 119.8080 0.0000 . 1 . . . . . 68 ASP N . 51775 2 121 . 2 . 2 74 74 ILE H H 1 8.3830 0.0000 . 1 . . . . . 69 ILE HN . 51775 2 122 . 2 . 2 74 74 ILE N N 15 118.5120 0.0000 . 1 . . . . . 69 ILE N . 51775 2 123 . 2 . 2 75 75 PHE H H 1 8.5710 0.0000 . 1 . . . . . 70 PHE HN . 51775 2 124 . 2 . 2 75 75 PHE N N 15 120.1300 0.0000 . 1 . . . . . 70 PHE N . 51775 2 125 . 2 . 2 76 76 GLU H H 1 8.4090 0.0000 . 1 . . . . . 71 GLU HN . 51775 2 126 . 2 . 2 76 76 GLU N N 15 117.7270 0.0000 . 1 . . . . . 71 GLU N . 51775 2 127 . 2 . 2 77 77 ARG H H 1 8.4360 0.0000 . 1 . . . . . 72 ARG HN . 51775 2 128 . 2 . 2 77 77 ARG N N 15 119.9830 0.0000 . 1 . . . . . 72 ARG N . 51775 2 129 . 2 . 2 78 78 ILE H H 1 8.2820 0.0000 . 1 . . . . . 73 ILE HN . 51775 2 130 . 2 . 2 78 78 ILE N N 15 119.2850 0.0000 . 1 . . . . . 73 ILE N . 51775 2 131 . 2 . 2 79 79 ALA H H 1 8.7110 0.0000 . 1 . . . . . 74 ALA HN . 51775 2 132 . 2 . 2 79 79 ALA N N 15 122.1330 0.0000 . 1 . . . . . 74 ALA N . 51775 2 133 . 2 . 2 80 80 GLY H H 1 8.1340 0.0000 . 1 . . . . . 75 GLY HN . 51775 2 134 . 2 . 2 80 80 GLY N N 15 103.9930 0.0000 . 1 . . . . . 75 GLY N . 51775 2 135 . 2 . 2 81 81 GLU H H 1 7.6200 0.0000 . 1 . . . . . 76 GLU HN . 51775 2 136 . 2 . 2 81 81 GLU N N 15 124.2070 0.0000 . 1 . . . . . 76 GLU N . 51775 2 137 . 2 . 2 82 82 ALA H H 1 8.7330 0.0000 . 1 . . . . . 77 ALA HN . 51775 2 138 . 2 . 2 82 82 ALA N N 15 121.9660 0.0000 . 1 . . . . . 77 ALA N . 51775 2 139 . 2 . 2 83 83 SER H H 1 8.2270 0.0000 . 1 . . . . . 78 SER HN . 51775 2 140 . 2 . 2 83 83 SER N N 15 111.1210 0.0000 . 1 . . . . . 78 SER N . 51775 2 141 . 2 . 2 84 84 ARG H H 1 7.8410 0.0000 . 1 . . . . . 79 ARG HN . 51775 2 142 . 2 . 2 84 84 ARG N N 15 123.1130 0.0000 . 1 . . . . . 79 ARG N . 51775 2 143 . 2 . 2 85 85 LEU H H 1 8.3560 0.0000 . 1 . . . . . 80 LEU HN . 51775 2 144 . 2 . 2 85 85 LEU N N 15 119.9350 0.0000 . 1 . . . . . 80 LEU N . 51775 2 145 . 2 . 2 86 86 ALA H H 1 8.3980 0.0000 . 1 . . . . . 81 ALA HN . 51775 2 146 . 2 . 2 86 86 ALA N N 15 122.5060 0.0000 . 1 . . . . . 81 ALA N . 51775 2 147 . 2 . 2 87 87 HIS H H 1 8.0370 0.0000 . 1 . . . . . 82 HIS HN . 51775 2 148 . 2 . 2 87 87 HIS N N 15 115.0620 0.0000 . 1 . . . . . 82 HIS N . 51775 2 149 . 2 . 2 88 88 TYR H H 1 8.4390 0.0000 . 1 . . . . . 83 TYR HN . 51775 2 150 . 2 . 2 88 88 TYR N N 15 121.1820 0.0000 . 1 . . . . . 83 TYR N . 51775 2 151 . 2 . 2 89 89 ASN H H 1 7.6360 0.0000 . 1 . . . . . 84 ASN HN . 51775 2 152 . 2 . 2 89 89 ASN N N 15 115.6210 0.0000 . 1 . . . . . 84 ASN N . 51775 2 153 . 2 . 2 91 91 ARG H H 1 8.3850 0.0000 . 1 . . . . . 86 ARG HN . 51775 2 154 . 2 . 2 91 91 ARG N N 15 117.8200 0.0000 . 1 . . . . . 86 ARG N . 51775 2 155 . 2 . 2 92 92 SER H H 1 8.5130 0.0000 . 1 . . . . . 87 SER HN . 51775 2 156 . 2 . 2 92 92 SER N N 15 117.8910 0.0000 . 1 . . . . . 87 SER N . 51775 2 157 . 2 . 2 93 93 THR H H 1 7.5210 0.0000 . 1 . . . . . 88 THR HN . 51775 2 158 . 2 . 2 93 93 THR N N 15 116.3160 0.0000 . 1 . . . . . 88 THR N . 51775 2 159 . 2 . 2 94 94 ILE H H 1 7.6890 0.0000 . 1 . . . . . 89 ILE HN . 51775 2 160 . 2 . 2 94 94 ILE N N 15 124.1830 0.0000 . 1 . . . . . 89 ILE N . 51775 2 161 . 2 . 2 95 95 THR H H 1 9.2770 0.0000 . 1 . . . . . 90 THR HN . 51775 2 162 . 2 . 2 95 95 THR N N 15 121.0190 0.0000 . 1 . . . . . 90 THR N . 51775 2 163 . 2 . 2 96 96 SER H H 1 8.9990 0.0000 . 1 . . . . . 91 SER HN . 51775 2 164 . 2 . 2 96 96 SER N N 15 117.0800 0.0000 . 1 . . . . . 91 SER N . 51775 2 165 . 2 . 2 97 97 ARG H H 1 7.8100 0.0000 . 1 . . . . . 92 ARG HN . 51775 2 166 . 2 . 2 97 97 ARG N N 15 122.2670 0.0000 . 1 . . . . . 92 ARG N . 51775 2 167 . 2 . 2 98 98 GLU H H 1 7.4290 0.0000 . 1 . . . . . 93 GLU HN . 51775 2 168 . 2 . 2 98 98 GLU N N 15 119.3170 0.0000 . 1 . . . . . 93 GLU N . 51775 2 169 . 2 . 2 99 99 ILE H H 1 7.1340 0.0000 . 1 . . . . . 94 ILE HN . 51775 2 170 . 2 . 2 99 99 ILE N N 15 116.2860 0.0000 . 1 . . . . . 94 ILE N . 51775 2 171 . 2 . 2 100 100 GLN H H 1 7.8970 0.0000 . 1 . . . . . 95 GLN HN . 51775 2 172 . 2 . 2 100 100 GLN N N 15 119.6460 0.0000 . 1 . . . . . 95 GLN N . 51775 2 173 . 2 . 2 101 101 THR H H 1 8.1160 0.0000 . 1 . . . . . 96 THR HN . 51775 2 174 . 2 . 2 101 101 THR N N 15 115.7320 0.0000 . 1 . . . . . 96 THR N . 51775 2 175 . 2 . 2 102 102 ALA H H 1 7.8790 0.0000 . 1 . . . . . 97 ALA HN . 51775 2 176 . 2 . 2 102 102 ALA N N 15 123.1400 0.0000 . 1 . . . . . 97 ALA N . 51775 2 177 . 2 . 2 103 103 VAL H H 1 8.4590 0.0000 . 1 . . . . . 98 VAL HN . 51775 2 178 . 2 . 2 103 103 VAL N N 15 117.8290 0.0000 . 1 . . . . . 98 VAL N . 51775 2 179 . 2 . 2 104 104 ARG H H 1 7.8400 0.0000 . 1 . . . . . 99 ARG HN . 51775 2 180 . 2 . 2 104 104 ARG N N 15 117.0540 0.0000 . 1 . . . . . 99 ARG N . 51775 2 181 . 2 . 2 105 105 LEU H H 1 7.7840 0.0000 . 1 . . . . . 100 LEU HN . 51775 2 182 . 2 . 2 105 105 LEU N N 15 117.9260 0.0000 . 1 . . . . . 100 LEU N . 51775 2 183 . 2 . 2 106 106 LEU H H 1 7.8770 0.0000 . 1 . . . . . 101 LEU HN . 51775 2 184 . 2 . 2 106 106 LEU N N 15 117.4620 0.0000 . 1 . . . . . 101 LEU N . 51775 2 185 . 2 . 2 107 107 LEU H H 1 8.1800 0.0000 . 1 . . . . . 102 LEU HN . 51775 2 186 . 2 . 2 107 107 LEU N N 15 120.2230 0.0000 . 1 . . . . . 102 LEU N . 51775 2 187 . 2 . 2 109 109 GLY H H 1 8.1150 0.0000 . 1 . . . . . 104 GLY HN . 51775 2 188 . 2 . 2 109 109 GLY N N 15 105.2420 0.0000 . 1 . . . . . 104 GLY N . 51775 2 189 . 2 . 2 110 110 GLU H H 1 10.2720 0.0000 . 1 . . . . . 105 GLU HN . 51775 2 190 . 2 . 2 110 110 GLU N N 15 129.1630 0.0000 . 1 . . . . . 105 GLU N . 51775 2 191 . 2 . 2 111 111 LEU H H 1 8.9200 0.0000 . 1 . . . . . 106 LEU HN . 51775 2 192 . 2 . 2 111 111 LEU N N 15 123.4940 0.0000 . 1 . . . . . 106 LEU N . 51775 2 193 . 2 . 2 112 112 ALA H H 1 7.9350 0.0000 . 1 . . . . . 107 ALA HN . 51775 2 194 . 2 . 2 112 112 ALA N N 15 119.0800 0.0000 . 1 . . . . . 107 ALA N . 51775 2 195 . 2 . 2 113 113 LYS H H 1 7.3540 0.0000 . 1 . . . . . 108 LYS HN . 51775 2 196 . 2 . 2 113 113 LYS N N 15 116.7730 0.0000 . 1 . . . . . 108 LYS N . 51775 2 197 . 2 . 2 114 114 HIS H H 1 8.0960 0.0000 . 1 . . . . . 109 HIS HN . 51775 2 198 . 2 . 2 114 114 HIS N N 15 117.6630 0.0000 . 1 . . . . . 109 HIS N . 51775 2 199 . 2 . 2 115 115 ALA H H 1 8.6320 0.0000 . 1 . . . . . 110 ALA HN . 51775 2 200 . 2 . 2 115 115 ALA N N 15 123.3750 0.0000 . 1 . . . . . 110 ALA N . 51775 2 201 . 2 . 2 116 116 VAL H H 1 8.2550 0.0000 . 1 . . . . . 111 VAL HN . 51775 2 202 . 2 . 2 116 116 VAL N N 15 117.0960 0.0000 . 1 . . . . . 111 VAL N . 51775 2 203 . 2 . 2 117 117 SER H H 1 7.4580 0.0000 . 1 . . . . . 112 SER HN . 51775 2 204 . 2 . 2 117 117 SER N N 15 117.4410 0.0000 . 1 . . . . . 112 SER N . 51775 2 205 . 2 . 2 118 118 GLU H H 1 8.1190 0.0000 . 1 . . . . . 113 GLU HN . 51775 2 206 . 2 . 2 118 118 GLU N N 15 119.5520 0.0000 . 1 . . . . . 113 GLU N . 51775 2 207 . 2 . 2 119 119 GLY H H 1 8.6470 0.0000 . 1 . . . . . 114 GLY HN . 51775 2 208 . 2 . 2 119 119 GLY N N 15 109.5080 0.0000 . 1 . . . . . 114 GLY N . 51775 2 209 . 2 . 2 120 120 THR H H 1 7.9680 0.0000 . 1 . . . . . 115 THR HN . 51775 2 210 . 2 . 2 120 120 THR N N 15 116.6710 0.0000 . 1 . . . . . 115 THR N . 51775 2 211 . 2 . 2 121 121 LYS H H 1 7.9160 0.0000 . 1 . . . . . 116 LYS HN . 51775 2 212 . 2 . 2 121 121 LYS N N 15 122.9700 0.0000 . 1 . . . . . 116 LYS N . 51775 2 213 . 2 . 2 122 122 ALA H H 1 7.6740 0.0000 . 1 . . . . . 117 ALA HN . 51775 2 214 . 2 . 2 122 122 ALA N N 15 121.5710 0.0000 . 1 . . . . . 117 ALA N . 51775 2 215 . 2 . 2 123 123 VAL H H 1 8.0790 0.0000 . 1 . . . . . 118 VAL HN . 51775 2 216 . 2 . 2 123 123 VAL N N 15 117.8970 0.0000 . 1 . . . . . 118 VAL N . 51775 2 217 . 2 . 2 125 125 LYS H H 1 7.8940 0.0000 . 1 . . . . . 120 LYS HN . 51775 2 218 . 2 . 2 125 125 LYS N N 15 121.5710 0.0000 . 1 . . . . . 120 LYS N . 51775 2 219 . 2 . 2 126 126 TYR H H 1 8.2520 0.0000 . 1 . . . . . 121 TYR HN . 51775 2 220 . 2 . 2 126 126 TYR N N 15 118.2940 0.0000 . 1 . . . . . 121 TYR N . 51775 2 221 . 2 . 2 127 127 THR H H 1 8.0030 0.0000 . 1 . . . . . 122 THR HN . 51775 2 222 . 2 . 2 127 127 THR N N 15 112.0320 0.0000 . 1 . . . . . 122 THR N . 51775 2 223 . 2 . 2 128 128 SER H H 1 7.8970 0.0000 . 1 . . . . . 123 SER HN . 51775 2 224 . 2 . 2 128 128 SER N N 15 117.3490 0.0000 . 1 . . . . . 123 SER N . 51775 2 225 . 2 . 2 129 129 ALA H H 1 8.0040 0.0000 . 1 . . . . . 124 ALA HN . 51775 2 226 . 2 . 2 129 129 ALA N N 15 126.4740 0.0000 . 1 . . . . . 124 ALA N . 51775 2 227 . 2 . 2 130 130 LYS H H 1 7.8290 0.0000 . 1 . . . . . 125 LYS HN . 51775 2 228 . 2 . 2 130 130 LYS N N 15 126.0880 0.0000 . 1 . . . . . 125 LYS N . 51775 2 stop_ save_