################################### # 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 51321 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 HSQC' . . . 51321 1 2 '3D HNCO' . . . 51321 1 3 '3D HNCACB' . . . 51321 1 4 '2D 13C-13C TOCSY' . . . 51321 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 . . 51321 1 2 $software_2 . . 51321 1 3 $software_3 . . 51321 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 1 1 ASP C C 13 171.3640 0.2 . 1 . . . . . 1 ASP C . 51321 1 2 . 1 . 1 1 1 ASP CA C 13 52.2300 0.2 . 1 . . . . . 1 ASP CA . 51321 1 3 . 1 . 1 1 1 ASP CB C 13 37.5610 0.2 . 1 . . . . . 1 ASP CB . 51321 1 4 . 1 . 1 2 2 ALA H H 1 8.6710 0.02 . 1 . . . . . 2 ALA H . 51321 1 5 . 1 . 1 2 2 ALA C C 13 176.9470 0.2 . 1 . . . . . 2 ALA C . 51321 1 6 . 1 . 1 2 2 ALA CA C 13 52.8620 0.2 . 1 . . . . . 2 ALA CA . 51321 1 7 . 1 . 1 2 2 ALA CB C 13 19.1490 0.2 . 1 . . . . . 2 ALA CB . 51321 1 8 . 1 . 1 2 2 ALA N N 15 124.3090 0.1 . 1 . . . . . 2 ALA N . 51321 1 9 . 1 . 1 3 3 GLU H H 1 8.0760 0.02 . 1 . . . . . 3 GLU H . 51321 1 10 . 1 . 1 3 3 GLU C C 13 175.5780 0.2 . 1 . . . . . 3 GLU C . 51321 1 11 . 1 . 1 3 3 GLU CA C 13 56.1660 0.2 . 1 . . . . . 3 GLU CA . 51321 1 12 . 1 . 1 3 3 GLU CB C 13 28.6980 0.2 . 1 . . . . . 3 GLU CB . 51321 1 13 . 1 . 1 3 3 GLU CG C 13 32.6670 0.2 . 1 . . . . . 3 GLU CG . 51321 1 14 . 1 . 1 3 3 GLU N N 15 118.4280 0.1 . 1 . . . . . 3 GLU N . 51321 1 15 . 1 . 1 4 4 PHE H H 1 8.0010 0.02 . 1 . . . . . 4 PHE H . 51321 1 16 . 1 . 1 4 4 PHE C C 13 175.5400 0.2 . 1 . . . . . 4 PHE C . 51321 1 17 . 1 . 1 4 4 PHE CA C 13 57.6050 0.2 . 1 . . . . . 4 PHE CA . 51321 1 18 . 1 . 1 4 4 PHE CB C 13 39.4590 0.2 . 1 . . . . . 4 PHE CB . 51321 1 19 . 1 . 1 4 4 PHE N N 15 119.4370 0.1 . 1 . . . . . 4 PHE N . 51321 1 20 . 1 . 1 5 5 ARG H H 1 8.0790 0.02 . 1 . . . . . 5 ARG H . 51321 1 21 . 1 . 1 5 5 ARG HE H 1 7.2200 0.02 . 1 . . . . . 5 ARG HE . 51321 1 22 . 1 . 1 5 5 ARG C C 13 175.8770 0.2 . 1 . . . . . 5 ARG C . 51321 1 23 . 1 . 1 5 5 ARG CA C 13 56.2500 0.2 . 1 . . . . . 5 ARG CA . 51321 1 24 . 1 . 1 5 5 ARG CB C 13 30.7370 0.2 . 1 . . . . . 5 ARG CB . 51321 1 25 . 1 . 1 5 5 ARG CG C 13 27.0900 0.2 . 1 . . . . . 5 ARG CG . 51321 1 26 . 1 . 1 5 5 ARG CD C 13 43.3030 0.2 . 1 . . . . . 5 ARG CD . 51321 1 27 . 1 . 1 5 5 ARG CZ C 13 159.4500 0.2 . 1 . . . . . 5 ARG CZ . 51321 1 28 . 1 . 1 5 5 ARG N N 15 121.2190 0.1 . 1 . . . . . 5 ARG N . 51321 1 29 . 1 . 1 5 5 ARG NE N 15 84.3610 0.1 . 1 . . . . . 5 ARG NE . 51321 1 30 . 1 . 1 6 6 HIS H H 1 8.3930 0.02 . 1 . . . . . 6 HIS H . 51321 1 31 . 1 . 1 6 6 HIS C C 13 174.0170 0.2 . 1 . . . . . 6 HIS C . 51321 1 32 . 1 . 1 6 6 HIS CA C 13 55.3730 0.2 . 1 . . . . . 6 HIS CA . 51321 1 33 . 1 . 1 6 6 HIS CB C 13 28.8450 0.2 . 1 . . . . . 6 HIS CB . 51321 1 34 . 1 . 1 6 6 HIS N N 15 118.4410 0.1 . 1 . . . . . 6 HIS N . 51321 1 35 . 1 . 1 7 7 ASP H H 1 8.4170 0.02 . 1 . . . . . 7 ASP H . 51321 1 36 . 1 . 1 7 7 ASP C C 13 174.9840 0.2 . 1 . . . . . 7 ASP C . 51321 1 37 . 1 . 1 7 7 ASP CA C 13 52.8800 0.2 . 1 . . . . . 7 ASP CA . 51321 1 38 . 1 . 1 7 7 ASP CB C 13 38.1260 0.2 . 1 . . . . . 7 ASP CB . 51321 1 39 . 1 . 1 7 7 ASP N N 15 119.6960 0.1 . 1 . . . . . 7 ASP N . 51321 1 40 . 1 . 1 8 8 SER H H 1 8.2680 0.02 . 1 . . . . . 8 SER H . 51321 1 41 . 1 . 1 8 8 SER C C 13 174.8220 0.2 . 1 . . . . . 8 SER C . 51321 1 42 . 1 . 1 8 8 SER CA C 13 58.9490 0.2 . 1 . . . . . 8 SER CA . 51321 1 43 . 1 . 1 8 8 SER CB C 13 63.9900 0.2 . 1 . . . . . 8 SER CB . 51321 1 44 . 1 . 1 8 8 SER N N 15 116.0230 0.1 . 1 . . . . . 8 SER N . 51321 1 45 . 1 . 1 9 9 GLY H H 1 8.3260 0.02 . 1 . . . . . 9 GLY H . 51321 1 46 . 1 . 1 9 9 GLY C C 13 174.0220 0.2 . 1 . . . . . 9 GLY C . 51321 1 47 . 1 . 1 9 9 GLY CA C 13 45.5880 0.2 . 1 . . . . . 9 GLY CA . 51321 1 48 . 1 . 1 9 9 GLY N N 15 109.6340 0.1 . 1 . . . . . 9 GLY N . 51321 1 49 . 1 . 1 10 10 TYR H H 1 7.9680 0.02 . 1 . . . . . 10 TYR H . 51321 1 50 . 1 . 1 10 10 TYR C C 13 175.9610 0.2 . 1 . . . . . 10 TYR C . 51321 1 51 . 1 . 1 10 10 TYR CA C 13 58.7340 0.2 . 1 . . . . . 10 TYR CA . 51321 1 52 . 1 . 1 10 10 TYR CB C 13 38.9050 0.2 . 1 . . . . . 10 TYR CB . 51321 1 53 . 1 . 1 10 10 TYR N N 15 119.6050 0.1 . 1 . . . . . 10 TYR N . 51321 1 54 . 1 . 1 11 11 GLU H H 1 8.1280 0.02 . 1 . . . . . 11 GLU H . 51321 1 55 . 1 . 1 11 11 GLU C C 13 175.8930 0.2 . 1 . . . . . 11 GLU C . 51321 1 56 . 1 . 1 11 11 GLU CA C 13 56.0930 0.2 . 1 . . . . . 11 GLU CA . 51321 1 57 . 1 . 1 11 11 GLU CB C 13 28.7500 0.2 . 1 . . . . . 11 GLU CB . 51321 1 58 . 1 . 1 11 11 GLU CG C 13 32.6670 0.2 . 1 . . . . . 11 GLU CG . 51321 1 59 . 1 . 1 11 11 GLU N N 15 120.6150 0.1 . 1 . . . . . 11 GLU N . 51321 1 60 . 1 . 1 12 12 VAL H H 1 8.0060 0.02 . 1 . . . . . 12 VAL H . 51321 1 61 . 1 . 1 12 12 VAL C C 13 175.9970 0.2 . 1 . . . . . 12 VAL C . 51321 1 62 . 1 . 1 12 12 VAL CA C 13 62.8180 0.2 . 1 . . . . . 12 VAL CA . 51321 1 63 . 1 . 1 12 12 VAL CB C 13 32.5070 0.2 . 1 . . . . . 12 VAL CB . 51321 1 64 . 1 . 1 12 12 VAL CG1 C 13 21.0080 0.2 . 2 . . . . . 12 VAL CG1 . 51321 1 65 . 1 . 1 12 12 VAL N N 15 119.8420 0.1 . 1 . . . . . 12 VAL N . 51321 1 66 . 1 . 1 13 13 HIS H H 1 8.3390 0.02 . 1 . . . . . 13 HIS H . 51321 1 67 . 1 . 1 13 13 HIS C C 13 174.1180 0.2 . 1 . . . . . 13 HIS C . 51321 1 68 . 1 . 1 13 13 HIS CA C 13 55.5160 0.2 . 1 . . . . . 13 HIS CA . 51321 1 69 . 1 . 1 13 13 HIS CB C 13 28.8470 0.2 . 1 . . . . . 13 HIS CB . 51321 1 70 . 1 . 1 13 13 HIS N N 15 120.1420 0.1 . 1 . . . . . 13 HIS N . 51321 1 71 . 1 . 1 14 14 HIS H H 1 8.4280 0.02 . 1 . . . . . 14 HIS H . 51321 1 72 . 1 . 1 14 14 HIS C C 13 173.9840 0.2 . 1 . . . . . 14 HIS C . 51321 1 73 . 1 . 1 14 14 HIS CA C 13 55.7870 0.2 . 1 . . . . . 14 HIS CA . 51321 1 74 . 1 . 1 14 14 HIS CB C 13 28.8070 0.2 . 1 . . . . . 14 HIS CB . 51321 1 75 . 1 . 1 14 14 HIS N N 15 118.6880 0.1 . 1 . . . . . 14 HIS N . 51321 1 76 . 1 . 1 15 15 GLN H H 1 8.3930 0.02 . 1 . . . . . 15 GLN H . 51321 1 77 . 1 . 1 15 15 GLN HE21 H 1 7.4890 0.02 . 2 . . . . . 15 GLN HE21 . 51321 1 78 . 1 . 1 15 15 GLN HE22 H 1 6.8310 0.02 . 2 . . . . . 15 GLN HE22 . 51321 1 79 . 1 . 1 15 15 GLN C C 13 175.6020 0.2 . 1 . . . . . 15 GLN C . 51321 1 80 . 1 . 1 15 15 GLN CA C 13 56.2120 0.2 . 1 . . . . . 15 GLN CA . 51321 1 81 . 1 . 1 15 15 GLN CB C 13 29.7010 0.2 . 1 . . . . . 15 GLN CB . 51321 1 82 . 1 . 1 15 15 GLN CG C 13 33.8210 0.2 . 1 . . . . . 15 GLN CG . 51321 1 83 . 1 . 1 15 15 GLN CD C 13 179.9090 0.2 . 1 . . . . . 15 GLN CD . 51321 1 84 . 1 . 1 15 15 GLN N N 15 120.3560 0.1 . 1 . . . . . 15 GLN N . 51321 1 85 . 1 . 1 15 15 GLN NE2 N 15 111.6050 0.1 . 1 . . . . . 15 GLN NE2 . 51321 1 86 . 1 . 1 16 16 LYS H H 1 8.3350 0.02 . 1 . . . . . 16 LYS H . 51321 1 87 . 1 . 1 16 16 LYS C C 13 175.9360 0.2 . 1 . . . . . 16 LYS C . 51321 1 88 . 1 . 1 16 16 LYS CA C 13 56.7300 0.2 . 1 . . . . . 16 LYS CA . 51321 1 89 . 1 . 1 16 16 LYS CB C 13 33.2480 0.2 . 1 . . . . . 16 LYS CB . 51321 1 90 . 1 . 1 16 16 LYS CG C 13 24.9940 0.2 . 1 . . . . . 16 LYS CG . 51321 1 91 . 1 . 1 16 16 LYS CD C 13 29.1220 0.2 . 1 . . . . . 16 LYS CD . 51321 1 92 . 1 . 1 16 16 LYS CE C 13 42.0700 0.2 . 1 . . . . . 16 LYS CE . 51321 1 93 . 1 . 1 16 16 LYS N N 15 121.8270 0.1 . 1 . . . . . 16 LYS N . 51321 1 94 . 1 . 1 17 17 LEU H H 1 8.0840 0.02 . 1 . . . . . 17 LEU H . 51321 1 95 . 1 . 1 17 17 LEU C C 13 176.6240 0.2 . 1 . . . . . 17 LEU C . 51321 1 96 . 1 . 1 17 17 LEU CA C 13 55.2510 0.2 . 1 . . . . . 17 LEU CA . 51321 1 97 . 1 . 1 17 17 LEU CB C 13 42.6880 0.2 . 1 . . . . . 17 LEU CB . 51321 1 98 . 1 . 1 17 17 LEU CG C 13 27.0390 0.2 . 1 . . . . . 17 LEU CG . 51321 1 99 . 1 . 1 17 17 LEU CD1 C 13 25.0160 0.2 . 2 . . . . . 17 LEU CD1 . 51321 1 100 . 1 . 1 17 17 LEU CD2 C 13 23.8870 0.2 . 2 . . . . . 17 LEU CD2 . 51321 1 101 . 1 . 1 17 17 LEU N N 15 122.8010 0.1 . 1 . . . . . 17 LEU N . 51321 1 102 . 1 . 1 18 18 VAL H H 1 8.0320 0.02 . 1 . . . . . 18 VAL H . 51321 1 103 . 1 . 1 18 18 VAL C C 13 175.0680 0.2 . 1 . . . . . 18 VAL C . 51321 1 104 . 1 . 1 18 18 VAL CA C 13 62.1510 0.2 . 1 . . . . . 18 VAL CA . 51321 1 105 . 1 . 1 18 18 VAL CB C 13 33.3910 0.2 . 1 . . . . . 18 VAL CB . 51321 1 106 . 1 . 1 18 18 VAL N N 15 120.5870 0.1 . 1 . . . . . 18 VAL N . 51321 1 107 . 1 . 1 19 19 PHE H H 1 8.1010 0.02 . 1 . . . . . 19 PHE H . 51321 1 108 . 1 . 1 19 19 PHE C C 13 175.2300 0.2 . 1 . . . . . 19 PHE C . 51321 1 109 . 1 . 1 19 19 PHE CA C 13 57.6600 0.2 . 1 . . . . . 19 PHE CA . 51321 1 110 . 1 . 1 19 19 PHE CB C 13 40.1600 0.2 . 1 . . . . . 19 PHE CB . 51321 1 111 . 1 . 1 19 19 PHE N N 15 121.9870 0.1 . 1 . . . . . 19 PHE N . 51321 1 112 . 1 . 1 20 20 PHE H H 1 8.2130 0.02 . 1 . . . . . 20 PHE H . 51321 1 113 . 1 . 1 20 20 PHE C C 13 174.8800 0.2 . 1 . . . . . 20 PHE C . 51321 1 114 . 1 . 1 20 20 PHE CA C 13 57.7210 0.2 . 1 . . . . . 20 PHE CA . 51321 1 115 . 1 . 1 20 20 PHE CB C 13 40.1990 0.2 . 1 . . . . . 20 PHE CB . 51321 1 116 . 1 . 1 20 20 PHE N N 15 120.1610 0.1 . 1 . . . . . 20 PHE N . 51321 1 117 . 1 . 1 21 21 ALA H H 1 8.2100 0.02 . 1 . . . . . 21 ALA H . 51321 1 118 . 1 . 1 21 21 ALA C C 13 177.3070 0.2 . 1 . . . . . 21 ALA C . 51321 1 119 . 1 . 1 21 21 ALA CA C 13 52.6940 0.2 . 1 . . . . . 21 ALA CA . 51321 1 120 . 1 . 1 21 21 ALA CB C 13 19.5670 0.2 . 1 . . . . . 21 ALA CB . 51321 1 121 . 1 . 1 21 21 ALA N N 15 123.7480 0.1 . 1 . . . . . 21 ALA N . 51321 1 122 . 1 . 1 22 22 GLU H H 1 8.1990 0.02 . 1 . . . . . 22 GLU H . 51321 1 123 . 1 . 1 22 22 GLU C C 13 175.6510 0.2 . 1 . . . . . 22 GLU C . 51321 1 124 . 1 . 1 22 22 GLU CA C 13 55.8630 0.2 . 1 . . . . . 22 GLU CA . 51321 1 125 . 1 . 1 22 22 GLU CB C 13 29.0660 0.2 . 1 . . . . . 22 GLU CB . 51321 1 126 . 1 . 1 22 22 GLU CG C 13 32.6670 0.2 . 1 . . . . . 22 GLU CG . 51321 1 127 . 1 . 1 22 22 GLU N N 15 117.4880 0.1 . 1 . . . . . 22 GLU N . 51321 1 128 . 1 . 1 23 23 ASP H H 1 8.3290 0.02 . 1 . . . . . 23 ASP H . 51321 1 129 . 1 . 1 23 23 ASP C C 13 175.0130 0.2 . 1 . . . . . 23 ASP C . 51321 1 130 . 1 . 1 23 23 ASP CA C 13 53.0010 0.2 . 1 . . . . . 23 ASP CA . 51321 1 131 . 1 . 1 23 23 ASP CB C 13 37.9580 0.2 . 1 . . . . . 23 ASP CB . 51321 1 132 . 1 . 1 23 23 ASP N N 15 119.0960 0.1 . 1 . . . . . 23 ASP N . 51321 1 133 . 1 . 1 24 24 VAL H H 1 7.9590 0.02 . 1 . . . . . 24 VAL H . 51321 1 134 . 1 . 1 24 24 VAL C C 13 176.3730 0.2 . 1 . . . . . 24 VAL C . 51321 1 135 . 1 . 1 24 24 VAL CA C 13 62.4870 0.2 . 1 . . . . . 24 VAL CA . 51321 1 136 . 1 . 1 24 24 VAL CB C 13 32.7140 0.2 . 1 . . . . . 24 VAL CB . 51321 1 137 . 1 . 1 24 24 VAL CG2 C 13 20.4800 0.2 . 2 . . . . . 24 VAL CG2 . 51321 1 138 . 1 . 1 24 24 VAL N N 15 118.6590 0.1 . 1 . . . . . 24 VAL N . 51321 1 139 . 1 . 1 25 25 GLY H H 1 8.3720 0.02 . 1 . . . . . 25 GLY H . 51321 1 140 . 1 . 1 25 25 GLY C C 13 174.1960 0.2 . 1 . . . . . 25 GLY C . 51321 1 141 . 1 . 1 25 25 GLY CA C 13 45.3850 0.2 . 1 . . . . . 25 GLY CA . 51321 1 142 . 1 . 1 25 25 GLY N N 15 110.9000 0.1 . 1 . . . . . 25 GLY N . 51321 1 143 . 1 . 1 26 26 SER H H 1 8.1320 0.02 . 1 . . . . . 26 SER H . 51321 1 144 . 1 . 1 26 26 SER C C 13 174.4550 0.2 . 1 . . . . . 26 SER C . 51321 1 145 . 1 . 1 26 26 SER CA C 13 58.4820 0.2 . 1 . . . . . 26 SER CA . 51321 1 146 . 1 . 1 26 26 SER CB C 13 63.9620 0.2 . 1 . . . . . 26 SER CB . 51321 1 147 . 1 . 1 26 26 SER N N 15 114.9100 0.1 . 1 . . . . . 26 SER N . 51321 1 148 . 1 . 1 27 27 ASN H H 1 8.3940 0.02 . 1 . . . . . 27 ASN H . 51321 1 149 . 1 . 1 27 27 ASN HD21 H 1 7.5830 0.02 . 2 . . . . . 27 ASN HD21 . 51321 1 150 . 1 . 1 27 27 ASN HD22 H 1 6.8960 0.02 . 2 . . . . . 27 ASN HD22 . 51321 1 151 . 1 . 1 27 27 ASN C C 13 175.2300 0.2 . 1 . . . . . 27 ASN C . 51321 1 152 . 1 . 1 27 27 ASN CA C 13 53.3990 0.2 . 1 . . . . . 27 ASN CA . 51321 1 153 . 1 . 1 27 27 ASN CB C 13 38.5120 0.2 . 1 . . . . . 27 ASN CB . 51321 1 154 . 1 . 1 27 27 ASN CG C 13 177.0220 0.2 . 1 . . . . . 27 ASN CG . 51321 1 155 . 1 . 1 27 27 ASN N N 15 120.0480 0.1 . 1 . . . . . 27 ASN N . 51321 1 156 . 1 . 1 27 27 ASN ND2 N 15 112.3630 0.1 . 1 . . . . . 27 ASN ND2 . 51321 1 157 . 1 . 1 28 28 LYS H H 1 8.2070 0.02 . 1 . . . . . 28 LYS H . 51321 1 158 . 1 . 1 28 28 LYS C C 13 176.8120 0.2 . 1 . . . . . 28 LYS C . 51321 1 159 . 1 . 1 28 28 LYS CA C 13 56.9690 0.2 . 1 . . . . . 28 LYS CA . 51321 1 160 . 1 . 1 28 28 LYS CB C 13 32.5340 0.2 . 1 . . . . . 28 LYS CB . 51321 1 161 . 1 . 1 28 28 LYS CG C 13 24.8670 0.2 . 1 . . . . . 28 LYS CG . 51321 1 162 . 1 . 1 28 28 LYS CD C 13 29.0170 0.2 . 1 . . . . . 28 LYS CD . 51321 1 163 . 1 . 1 28 28 LYS CE C 13 42.1060 0.2 . 1 . . . . . 28 LYS CE . 51321 1 164 . 1 . 1 28 28 LYS N N 15 120.3580 0.1 . 1 . . . . . 28 LYS N . 51321 1 165 . 1 . 1 29 29 GLY H H 1 8.2750 0.02 . 1 . . . . . 29 GLY H . 51321 1 166 . 1 . 1 29 29 GLY C C 13 173.6200 0.2 . 1 . . . . . 29 GLY C . 51321 1 167 . 1 . 1 29 29 GLY CA C 13 45.3320 0.2 . 1 . . . . . 29 GLY CA . 51321 1 168 . 1 . 1 29 29 GLY N N 15 108.2820 0.1 . 1 . . . . . 29 GLY N . 51321 1 169 . 1 . 1 30 30 ALA H H 1 7.9420 0.02 . 1 . . . . . 30 ALA H . 51321 1 170 . 1 . 1 30 30 ALA C C 13 177.3840 0.2 . 1 . . . . . 30 ALA C . 51321 1 171 . 1 . 1 30 30 ALA CA C 13 52.5490 0.2 . 1 . . . . . 30 ALA CA . 51321 1 172 . 1 . 1 30 30 ALA CB C 13 19.5900 0.2 . 1 . . . . . 30 ALA CB . 51321 1 173 . 1 . 1 30 30 ALA N N 15 122.6590 0.1 . 1 . . . . . 30 ALA N . 51321 1 174 . 1 . 1 31 31 ILE H H 1 8.0210 0.02 . 1 . . . . . 31 ILE H . 51321 1 175 . 1 . 1 31 31 ILE C C 13 175.9550 0.2 . 1 . . . . . 31 ILE C . 51321 1 176 . 1 . 1 31 31 ILE CA C 13 61.2130 0.2 . 1 . . . . . 31 ILE CA . 51321 1 177 . 1 . 1 31 31 ILE CB C 13 38.7480 0.2 . 1 . . . . . 31 ILE CB . 51321 1 178 . 1 . 1 31 31 ILE CG1 C 13 27.5280 0.2 . 1 . . . . . 31 ILE CG1 . 51321 1 179 . 1 . 1 31 31 ILE CG2 C 13 17.6180 0.2 . 1 . . . . . 31 ILE CG2 . 51321 1 180 . 1 . 1 31 31 ILE CD1 C 13 12.9740 0.2 . 1 . . . . . 31 ILE CD1 . 51321 1 181 . 1 . 1 31 31 ILE N N 15 118.8210 0.1 . 1 . . . . . 31 ILE N . 51321 1 182 . 1 . 1 32 32 ILE H H 1 8.1020 0.02 . 1 . . . . . 32 ILE H . 51321 1 183 . 1 . 1 32 32 ILE C C 13 176.1570 0.2 . 1 . . . . . 32 ILE C . 51321 1 184 . 1 . 1 32 32 ILE CA C 13 61.2370 0.2 . 1 . . . . . 32 ILE CA . 51321 1 185 . 1 . 1 32 32 ILE CB C 13 38.8480 0.2 . 1 . . . . . 32 ILE CB . 51321 1 186 . 1 . 1 32 32 ILE CG1 C 13 27.5280 0.2 . 1 . . . . . 32 ILE CG1 . 51321 1 187 . 1 . 1 32 32 ILE CG2 C 13 17.6180 0.2 . 1 . . . . . 32 ILE CG2 . 51321 1 188 . 1 . 1 32 32 ILE CD1 C 13 13.0120 0.2 . 1 . . . . . 32 ILE CD1 . 51321 1 189 . 1 . 1 32 32 ILE N N 15 123.3520 0.1 . 1 . . . . . 32 ILE N . 51321 1 190 . 1 . 1 33 33 GLY H H 1 8.2250 0.02 . 1 . . . . . 33 GLY H . 51321 1 191 . 1 . 1 33 33 GLY C C 13 173.1020 0.2 . 1 . . . . . 33 GLY C . 51321 1 192 . 1 . 1 33 33 GLY CA C 13 45.2790 0.2 . 1 . . . . . 33 GLY CA . 51321 1 193 . 1 . 1 33 33 GLY N N 15 110.7640 0.1 . 1 . . . . . 33 GLY N . 51321 1 194 . 1 . 1 34 34 LEU H H 1 8.0390 0.02 . 1 . . . . . 34 LEU H . 51321 1 195 . 1 . 1 34 34 LEU C C 13 176.3550 0.2 . 1 . . . . . 34 LEU C . 51321 1 196 . 1 . 1 34 34 LEU CA C 13 54.8940 0.2 . 1 . . . . . 34 LEU CA . 51321 1 197 . 1 . 1 34 34 LEU CB C 13 43.5420 0.2 . 1 . . . . . 34 LEU CB . 51321 1 198 . 1 . 1 34 34 LEU CG C 13 27.0250 0.2 . 1 . . . . . 34 LEU CG . 51321 1 199 . 1 . 1 34 34 LEU CD1 C 13 24.9380 0.2 . 2 . . . . . 34 LEU CD1 . 51321 1 200 . 1 . 1 34 34 LEU CD2 C 13 24.1050 0.2 . 2 . . . . . 34 LEU CD2 . 51321 1 201 . 1 . 1 34 34 LEU N N 15 120.5110 0.1 . 1 . . . . . 34 LEU N . 51321 1 202 . 1 . 1 35 35 MET H H 1 8.3330 0.02 . 1 . . . . . 35 MET H . 51321 1 203 . 1 . 1 35 35 MET C C 13 175.8230 0.2 . 1 . . . . . 35 MET C . 51321 1 204 . 1 . 1 35 35 MET CA C 13 55.2020 0.2 . 1 . . . . . 35 MET CA . 51321 1 205 . 1 . 1 35 35 MET CB C 13 34.0230 0.2 . 1 . . . . . 35 MET CB . 51321 1 206 . 1 . 1 35 35 MET CG C 13 32.0480 0.2 . 1 . . . . . 35 MET CG . 51321 1 207 . 1 . 1 35 35 MET CE C 13 16.9590 0.2 . 1 . . . . . 35 MET CE . 51321 1 208 . 1 . 1 35 35 MET N N 15 120.6880 0.1 . 1 . . . . . 35 MET N . 51321 1 209 . 1 . 1 36 36 VAL H H 1 8.3500 0.02 . 1 . . . . . 36 VAL H . 51321 1 210 . 1 . 1 36 36 VAL C C 13 176.4720 0.2 . 1 . . . . . 36 VAL C . 51321 1 211 . 1 . 1 36 36 VAL CA C 13 62.0890 0.2 . 1 . . . . . 36 VAL CA . 51321 1 212 . 1 . 1 36 36 VAL CB C 13 33.6220 0.2 . 1 . . . . . 36 VAL CB . 51321 1 213 . 1 . 1 36 36 VAL N N 15 120.8190 0.1 . 1 . . . . . 36 VAL N . 51321 1 214 . 1 . 1 37 37 GLY H H 1 8.6430 0.02 . 1 . . . . . 37 GLY H . 51321 1 215 . 1 . 1 37 37 GLY C C 13 174.4980 0.2 . 1 . . . . . 37 GLY C . 51321 1 216 . 1 . 1 37 37 GLY CA C 13 45.9340 0.2 . 1 . . . . . 37 GLY CA . 51321 1 217 . 1 . 1 37 37 GLY N N 15 113.2030 0.1 . 1 . . . . . 37 GLY N . 51321 1 218 . 1 . 1 38 38 GLY H H 1 8.1970 0.02 . 1 . . . . . 38 GLY H . 51321 1 219 . 1 . 1 38 38 GLY C C 13 173.1900 0.2 . 1 . . . . . 38 GLY C . 51321 1 220 . 1 . 1 38 38 GLY CA C 13 45.1220 0.2 . 1 . . . . . 38 GLY CA . 51321 1 221 . 1 . 1 38 38 GLY N N 15 106.6510 0.1 . 1 . . . . . 38 GLY N . 51321 1 222 . 1 . 1 39 39 VAL H H 1 7.7950 0.02 . 1 . . . . . 39 VAL H . 51321 1 223 . 1 . 1 39 39 VAL C C 13 175.0080 0.2 . 1 . . . . . 39 VAL C . 51321 1 224 . 1 . 1 39 39 VAL CA C 13 61.4530 0.2 . 1 . . . . . 39 VAL CA . 51321 1 225 . 1 . 1 39 39 VAL CB C 13 33.6640 0.2 . 1 . . . . . 39 VAL CB . 51321 1 226 . 1 . 1 39 39 VAL CG1 C 13 21.2480 0.2 . 2 . . . . . 39 VAL CG1 . 51321 1 227 . 1 . 1 39 39 VAL CG2 C 13 20.6600 0.2 . 2 . . . . . 39 VAL CG2 . 51321 1 228 . 1 . 1 39 39 VAL N N 15 118.7100 0.1 . 1 . . . . . 39 VAL N . 51321 1 229 . 1 . 1 40 40 VAL H H 1 8.2250 0.02 . 1 . . . . . 40 VAL H . 51321 1 230 . 1 . 1 40 40 VAL C C 13 175.4070 0.2 . 1 . . . . . 40 VAL C . 51321 1 231 . 1 . 1 40 40 VAL CA C 13 62.1440 0.2 . 1 . . . . . 40 VAL CA . 51321 1 232 . 1 . 1 40 40 VAL CB C 13 32.7220 0.2 . 1 . . . . . 40 VAL CB . 51321 1 233 . 1 . 1 40 40 VAL N N 15 124.3880 0.1 . 1 . . . . . 40 VAL N . 51321 1 234 . 1 . 1 41 41 ILE H H 1 8.3660 0.02 . 1 . . . . . 41 ILE H . 51321 1 235 . 1 . 1 41 41 ILE C C 13 175.0610 0.2 . 1 . . . . . 41 ILE C . 51321 1 236 . 1 . 1 41 41 ILE CA C 13 60.1560 0.2 . 1 . . . . . 41 ILE CA . 51321 1 237 . 1 . 1 41 41 ILE CB C 13 38.8390 0.2 . 1 . . . . . 41 ILE CB . 51321 1 238 . 1 . 1 41 41 ILE CG1 C 13 27.0770 0.2 . 1 . . . . . 41 ILE CG1 . 51321 1 239 . 1 . 1 41 41 ILE CG2 C 13 17.4590 0.2 . 1 . . . . . 41 ILE CG2 . 51321 1 240 . 1 . 1 41 41 ILE CD1 C 13 12.7110 0.2 . 1 . . . . . 41 ILE CD1 . 51321 1 241 . 1 . 1 41 41 ILE N N 15 125.2880 0.1 . 1 . . . . . 41 ILE N . 51321 1 242 . 1 . 1 42 42 ALA H H 1 8.3090 0.02 . 1 . . . . . 42 ALA H . 51321 1 243 . 1 . 1 42 42 ALA CA C 13 51.2760 0.2 . 1 . . . . . 42 ALA CA . 51321 1 244 . 1 . 1 42 42 ALA CB C 13 19.3370 0.2 . 1 . . . . . 42 ALA CB . 51321 1 245 . 1 . 1 42 42 ALA N N 15 127.5130 0.1 . 1 . . . . . 42 ALA N . 51321 1 stop_ save_