################################### # 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 51322 _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' . . . 51322 1 2 '3D BEST-TROSY-HNCO' . . . 51322 1 3 '3D BEST-TROSY-HNCACB' . . . 51322 1 4 '2D 13C-13C TOCSY' . . . 51322 1 5 '2D 13C-13C TOCSY' . . . 51322 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 . . 51322 1 2 $software_2 . . 51322 1 3 $software_3 . . 51322 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 ALA C C 13 177.4530 0.2 . 1 . . . . . 2 ALA C . 51322 1 2 . 1 . 1 2 2 ALA CA C 13 52.6400 0.2 . 1 . . . . . 2 ALA CA . 51322 1 3 . 1 . 1 2 2 ALA CB C 13 19.0810 0.2 . 1 . . . . . 2 ALA CB . 51322 1 4 . 1 . 1 3 3 GLU H H 1 8.5450 0.02 . 1 . . . . . 3 GLU H . 51322 1 5 . 1 . 1 3 3 GLU C C 13 176.1700 0.2 . 1 . . . . . 3 GLU C . 51322 1 6 . 1 . 1 3 3 GLU CA C 13 56.6520 0.2 . 1 . . . . . 3 GLU CA . 51322 1 7 . 1 . 1 3 3 GLU CB C 13 30.3540 0.2 . 1 . . . . . 3 GLU CB . 51322 1 8 . 1 . 1 3 3 GLU N N 15 120.6180 0.1 . 1 . . . . . 3 GLU N . 51322 1 9 . 1 . 1 4 4 PHE H H 1 8.3990 0.02 . 1 . . . . . 4 PHE H . 51322 1 10 . 1 . 1 4 4 PHE C C 13 175.3910 0.2 . 1 . . . . . 4 PHE C . 51322 1 11 . 1 . 1 4 4 PHE CA C 13 57.6690 0.2 . 1 . . . . . 4 PHE CA . 51322 1 12 . 1 . 1 4 4 PHE CB C 13 39.5510 0.2 . 1 . . . . . 4 PHE CB . 51322 1 13 . 1 . 1 4 4 PHE N N 15 121.8510 0.1 . 1 . . . . . 4 PHE N . 51322 1 14 . 1 . 1 5 5 ARG H H 1 8.2560 0.02 . 1 . . . . . 5 ARG H . 51322 1 15 . 1 . 1 5 5 ARG HE H 1 7.4200 0.02 . 1 . . . . . 5 ARG HE . 51322 1 16 . 1 . 1 5 5 ARG CA C 13 55.5740 0.2 . 1 . . . . . 5 ARG CA . 51322 1 17 . 1 . 1 5 5 ARG CB C 13 31.0910 0.2 . 1 . . . . . 5 ARG CB . 51322 1 18 . 1 . 1 5 5 ARG CG C 13 26.9720 0.2 . 1 . . . . . 5 ARG CG . 51322 1 19 . 1 . 1 5 5 ARG CD C 13 43.1770 0.2 . 1 . . . . . 5 ARG CD . 51322 1 20 . 1 . 1 5 5 ARG CZ C 13 159.4450 0.2 . 1 . . . . . 5 ARG CZ . 51322 1 21 . 1 . 1 5 5 ARG N N 15 123.7520 0.1 . 1 . . . . . 5 ARG N . 51322 1 22 . 1 . 1 5 5 ARG NE N 15 84.5060 0.1 . 1 . . . . . 5 ARG NE . 51322 1 23 . 1 . 1 6 6 HIS C C 13 174.9330 0.2 . 1 . . . . . 6 HIS C . 51322 1 24 . 1 . 1 6 6 HIS CA C 13 56.2460 0.2 . 1 . . . . . 6 HIS CA . 51322 1 25 . 1 . 1 7 7 ASP H H 1 8.4820 0.02 . 1 . . . . . 7 ASP H . 51322 1 26 . 1 . 1 7 7 ASP C C 13 176.4310 0.2 . 1 . . . . . 7 ASP C . 51322 1 27 . 1 . 1 7 7 ASP CA C 13 54.0560 0.2 . 1 . . . . . 7 ASP CA . 51322 1 28 . 1 . 1 7 7 ASP CB C 13 41.1190 0.2 . 1 . . . . . 7 ASP CB . 51322 1 29 . 1 . 1 7 7 ASP N N 15 121.8830 0.1 . 1 . . . . . 7 ASP N . 51322 1 30 . 1 . 1 8 8 SER H H 1 8.5460 0.02 . 1 . . . . . 8 SER H . 51322 1 31 . 1 . 1 8 8 SER C C 13 175.2860 0.2 . 1 . . . . . 8 SER C . 51322 1 32 . 1 . 1 8 8 SER CA C 13 59.0870 0.2 . 1 . . . . . 8 SER CA . 51322 1 33 . 1 . 1 8 8 SER CB C 13 63.6790 0.2 . 1 . . . . . 8 SER CB . 51322 1 34 . 1 . 1 8 8 SER N N 15 116.8510 0.1 . 1 . . . . . 8 SER N . 51322 1 35 . 1 . 1 9 9 GLY H H 1 8.6390 0.02 . 1 . . . . . 9 GLY H . 51322 1 36 . 1 . 1 9 9 GLY C C 13 174.1060 0.2 . 1 . . . . . 9 GLY C . 51322 1 37 . 1 . 1 9 9 GLY CA C 13 45.3430 0.2 . 1 . . . . . 9 GLY CA . 51322 1 38 . 1 . 1 9 9 GLY N N 15 110.9550 0.1 . 1 . . . . . 9 GLY N . 51322 1 39 . 1 . 1 10 10 TYR H H 1 8.0360 0.02 . 1 . . . . . 10 TYR H . 51322 1 40 . 1 . 1 10 10 TYR C C 13 175.8710 0.2 . 1 . . . . . 10 TYR C . 51322 1 41 . 1 . 1 10 10 TYR CA C 13 58.3020 0.2 . 1 . . . . . 10 TYR CA . 51322 1 42 . 1 . 1 10 10 TYR CB C 13 38.8080 0.2 . 1 . . . . . 10 TYR CB . 51322 1 43 . 1 . 1 10 10 TYR N N 15 120.2890 0.1 . 1 . . . . . 10 TYR N . 51322 1 44 . 1 . 1 11 11 GLU H H 1 8.4610 0.02 . 1 . . . . . 11 GLU H . 51322 1 45 . 1 . 1 11 11 GLU C C 13 176.2040 0.2 . 1 . . . . . 11 GLU C . 51322 1 46 . 1 . 1 11 11 GLU CA C 13 56.5320 0.2 . 1 . . . . . 11 GLU CA . 51322 1 47 . 1 . 1 11 11 GLU CB C 13 30.3330 0.2 . 1 . . . . . 11 GLU CB . 51322 1 48 . 1 . 1 11 11 GLU CG C 13 36.1920 0.2 . 1 . . . . . 11 GLU CG . 51322 1 49 . 1 . 1 11 11 GLU N N 15 122.7350 0.1 . 1 . . . . . 11 GLU N . 51322 1 50 . 1 . 1 12 12 VAL H H 1 8.1740 0.02 . 1 . . . . . 12 VAL H . 51322 1 51 . 1 . 1 12 12 VAL C C 13 176.0740 0.2 . 1 . . . . . 12 VAL C . 51322 1 52 . 1 . 1 12 12 VAL CA C 13 62.8050 0.2 . 1 . . . . . 12 VAL CA . 51322 1 53 . 1 . 1 12 12 VAL CB C 13 32.5320 0.2 . 1 . . . . . 12 VAL CB . 51322 1 54 . 1 . 1 12 12 VAL N N 15 121.4290 0.1 . 1 . . . . . 12 VAL N . 51322 1 55 . 1 . 1 13 13 HIS H H 1 8.4470 0.02 . 1 . . . . . 13 HIS H . 51322 1 56 . 1 . 1 13 13 HIS CA C 13 55.8590 0.2 . 1 . . . . . 13 HIS CA . 51322 1 57 . 1 . 1 13 13 HIS CB C 13 30.3120 0.2 . 1 . . . . . 13 HIS CB . 51322 1 58 . 1 . 1 13 13 HIS N N 15 122.5330 0.1 . 1 . . . . . 13 HIS N . 51322 1 59 . 1 . 1 14 14 HIS C C 13 175.0230 0.2 . 1 . . . . . 14 HIS C . 51322 1 60 . 1 . 1 15 15 GLN H H 1 8.5760 0.02 . 1 . . . . . 15 GLN H . 51322 1 61 . 1 . 1 15 15 GLN HE21 H 1 7.6880 0.02 . 2 . . . . . 15 GLN HE21 . 51322 1 62 . 1 . 1 15 15 GLN HE22 H 1 6.9890 0.02 . 2 . . . . . 15 GLN HE22 . 51322 1 63 . 1 . 1 15 15 GLN C C 13 175.7940 0.2 . 1 . . . . . 15 GLN C . 51322 1 64 . 1 . 1 15 15 GLN CA C 13 55.9330 0.2 . 1 . . . . . 15 GLN CA . 51322 1 65 . 1 . 1 15 15 GLN CB C 13 29.7150 0.2 . 1 . . . . . 15 GLN CB . 51322 1 66 . 1 . 1 15 15 GLN N N 15 121.7390 0.1 . 1 . . . . . 15 GLN N . 51322 1 67 . 1 . 1 15 15 GLN NE2 N 15 113.1250 0.1 . 1 . . . . . 15 GLN NE2 . 51322 1 68 . 1 . 1 16 16 LYS H H 1 8.5370 0.02 . 1 . . . . . 16 LYS H . 51322 1 69 . 1 . 1 16 16 LYS C C 13 176.3410 0.2 . 1 . . . . . 16 LYS C . 51322 1 70 . 1 . 1 16 16 LYS CA C 13 56.3990 0.2 . 1 . . . . . 16 LYS CA . 51322 1 71 . 1 . 1 16 16 LYS CB C 13 32.9330 0.2 . 1 . . . . . 16 LYS CB . 51322 1 72 . 1 . 1 16 16 LYS CG C 13 24.8060 0.2 . 1 . . . . . 16 LYS CG . 51322 1 73 . 1 . 1 16 16 LYS CD C 13 29.1150 0.2 . 1 . . . . . 16 LYS CD . 51322 1 74 . 1 . 1 16 16 LYS CE C 13 42.0670 0.2 . 1 . . . . . 16 LYS CE . 51322 1 75 . 1 . 1 16 16 LYS N N 15 123.4900 0.1 . 1 . . . . . 16 LYS N . 51322 1 76 . 1 . 1 17 17 LEU H H 1 8.3860 0.02 . 1 . . . . . 17 LEU H . 51322 1 77 . 1 . 1 17 17 LEU C C 13 176.8540 0.2 . 1 . . . . . 17 LEU C . 51322 1 78 . 1 . 1 17 17 LEU CA C 13 55.0920 0.2 . 1 . . . . . 17 LEU CA . 51322 1 79 . 1 . 1 17 17 LEU CB C 13 42.5050 0.2 . 1 . . . . . 17 LEU CB . 51322 1 80 . 1 . 1 17 17 LEU CG C 13 26.9720 0.2 . 1 . . . . . 17 LEU CG . 51322 1 81 . 1 . 1 17 17 LEU CD1 C 13 23.5190 0.2 . 2 . . . . . 17 LEU CD1 . 51322 1 82 . 1 . 1 17 17 LEU CD2 C 13 24.8210 0.2 . 2 . . . . . 17 LEU CD2 . 51322 1 83 . 1 . 1 17 17 LEU N N 15 124.1870 0.1 . 1 . . . . . 17 LEU N . 51322 1 84 . 1 . 1 18 18 VAL H H 1 8.1180 0.02 . 1 . . . . . 18 VAL H . 51322 1 85 . 1 . 1 18 18 VAL C C 13 175.2230 0.2 . 1 . . . . . 18 VAL C . 51322 1 86 . 1 . 1 18 18 VAL CA C 13 61.9540 0.2 . 1 . . . . . 18 VAL CA . 51322 1 87 . 1 . 1 18 18 VAL CB C 13 33.2150 0.2 . 1 . . . . . 18 VAL CB . 51322 1 88 . 1 . 1 18 18 VAL N N 15 121.8400 0.1 . 1 . . . . . 18 VAL N . 51322 1 89 . 1 . 1 19 19 PHE H H 1 8.3790 0.02 . 1 . . . . . 19 PHE H . 51322 1 90 . 1 . 1 19 19 PHE C C 13 174.8810 0.2 . 1 . . . . . 19 PHE C . 51322 1 91 . 1 . 1 19 19 PHE CA C 13 57.4220 0.2 . 1 . . . . . 19 PHE CA . 51322 1 92 . 1 . 1 19 19 PHE CB C 13 40.1960 0.2 . 1 . . . . . 19 PHE CB . 51322 1 93 . 1 . 1 19 19 PHE N N 15 124.6660 0.1 . 1 . . . . . 19 PHE N . 51322 1 94 . 1 . 1 20 20 PHE H H 1 8.3320 0.02 . 1 . . . . . 20 PHE H . 51322 1 95 . 1 . 1 20 20 PHE C C 13 174.8350 0.2 . 1 . . . . . 20 PHE C . 51322 1 96 . 1 . 1 20 20 PHE CA C 13 57.3430 0.2 . 1 . . . . . 20 PHE CA . 51322 1 97 . 1 . 1 20 20 PHE CB C 13 40.0990 0.2 . 1 . . . . . 20 PHE CB . 51322 1 98 . 1 . 1 20 20 PHE N N 15 123.2500 0.1 . 1 . . . . . 20 PHE N . 51322 1 99 . 1 . 1 21 21 ALA H H 1 8.3500 0.02 . 1 . . . . . 21 ALA H . 51322 1 100 . 1 . 1 21 21 ALA C C 13 177.3720 0.2 . 1 . . . . . 21 ALA C . 51322 1 101 . 1 . 1 21 21 ALA CA C 13 52.3870 0.2 . 1 . . . . . 21 ALA CA . 51322 1 102 . 1 . 1 21 21 ALA CB C 13 19.3680 0.2 . 1 . . . . . 21 ALA CB . 51322 1 103 . 1 . 1 21 21 ALA N N 15 126.3990 0.1 . 1 . . . . . 21 ALA N . 51322 1 104 . 1 . 1 22 22 GLU H H 1 8.4630 0.02 . 1 . . . . . 22 GLU H . 51322 1 105 . 1 . 1 22 22 GLU C C 13 176.2320 0.2 . 1 . . . . . 22 GLU C . 51322 1 106 . 1 . 1 22 22 GLU CA C 13 56.6030 0.2 . 1 . . . . . 22 GLU CA . 51322 1 107 . 1 . 1 22 22 GLU CB C 13 30.3830 0.2 . 1 . . . . . 22 GLU CB . 51322 1 108 . 1 . 1 22 22 GLU N N 15 120.1430 0.1 . 1 . . . . . 22 GLU N . 51322 1 109 . 1 . 1 23 23 ASP H H 1 8.5230 0.02 . 1 . . . . . 23 ASP H . 51322 1 110 . 1 . 1 23 23 ASP C C 13 176.6700 0.2 . 1 . . . . . 23 ASP C . 51322 1 111 . 1 . 1 23 23 ASP CA C 13 54.1350 0.2 . 1 . . . . . 23 ASP CA . 51322 1 112 . 1 . 1 23 23 ASP CB C 13 40.9700 0.2 . 1 . . . . . 23 ASP CB . 51322 1 113 . 1 . 1 23 23 ASP N N 15 121.9200 0.1 . 1 . . . . . 23 ASP N . 51322 1 114 . 1 . 1 24 24 VAL H H 1 8.2560 0.02 . 1 . . . . . 24 VAL H . 51322 1 115 . 1 . 1 24 24 VAL C C 13 177.1660 0.2 . 1 . . . . . 24 VAL C . 51322 1 116 . 1 . 1 24 24 VAL CA C 13 62.7320 0.2 . 1 . . . . . 24 VAL CA . 51322 1 117 . 1 . 1 24 24 VAL CB C 13 32.2550 0.2 . 1 . . . . . 24 VAL CB . 51322 1 118 . 1 . 1 24 24 VAL N N 15 120.8350 0.1 . 1 . . . . . 24 VAL N . 51322 1 119 . 1 . 1 25 25 GLY H H 1 8.6480 0.02 . 1 . . . . . 25 GLY H . 51322 1 120 . 1 . 1 25 25 GLY C C 13 174.5810 0.2 . 1 . . . . . 25 GLY C . 51322 1 121 . 1 . 1 25 25 GLY CA C 13 45.4290 0.2 . 1 . . . . . 25 GLY CA . 51322 1 122 . 1 . 1 25 25 GLY N N 15 111.9650 0.1 . 1 . . . . . 25 GLY N . 51322 1 123 . 1 . 1 26 26 SER H H 1 8.2650 0.02 . 1 . . . . . 26 SER H . 51322 1 124 . 1 . 1 26 26 SER C C 13 174.6000 0.2 . 1 . . . . . 26 SER C . 51322 1 125 . 1 . 1 26 26 SER CA C 13 58.5860 0.2 . 1 . . . . . 26 SER CA . 51322 1 126 . 1 . 1 26 26 SER CB C 13 63.7690 0.2 . 1 . . . . . 26 SER CB . 51322 1 127 . 1 . 1 26 26 SER N N 15 115.7280 0.1 . 1 . . . . . 26 SER N . 51322 1 128 . 1 . 1 27 27 ASN H H 1 8.5960 0.02 . 1 . . . . . 27 ASN H . 51322 1 129 . 1 . 1 27 27 ASN HD21 H 1 7.7400 0.02 . 2 . . . . . 27 ASN HD21 . 51322 1 130 . 1 . 1 27 27 ASN HD22 H 1 7.0200 0.02 . 2 . . . . . 27 ASN HD22 . 51322 1 131 . 1 . 1 27 27 ASN C C 13 175.5590 0.2 . 1 . . . . . 27 ASN C . 51322 1 132 . 1 . 1 27 27 ASN CA C 13 53.3080 0.2 . 1 . . . . . 27 ASN CA . 51322 1 133 . 1 . 1 27 27 ASN CB C 13 38.5090 0.2 . 1 . . . . . 27 ASN CB . 51322 1 134 . 1 . 1 27 27 ASN N N 15 120.7940 0.1 . 1 . . . . . 27 ASN N . 51322 1 135 . 1 . 1 27 27 ASN ND2 N 15 113.3760 0.1 . 1 . . . . . 27 ASN ND2 . 51322 1 136 . 1 . 1 28 28 LYS H H 1 8.4570 0.02 . 1 . . . . . 28 LYS H . 51322 1 137 . 1 . 1 28 28 LYS C C 13 177.3150 0.2 . 1 . . . . . 28 LYS C . 51322 1 138 . 1 . 1 28 28 LYS CA C 13 56.7490 0.2 . 1 . . . . . 28 LYS CA . 51322 1 139 . 1 . 1 28 28 LYS CB C 13 32.5490 0.2 . 1 . . . . . 28 LYS CB . 51322 1 140 . 1 . 1 28 28 LYS CG C 13 24.7690 0.2 . 1 . . . . . 28 LYS CG . 51322 1 141 . 1 . 1 28 28 LYS CD C 13 29.0330 0.2 . 1 . . . . . 28 LYS CD . 51322 1 142 . 1 . 1 28 28 LYS CE C 13 42.0810 0.2 . 1 . . . . . 28 LYS CE . 51322 1 143 . 1 . 1 28 28 LYS N N 15 121.8980 0.1 . 1 . . . . . 28 LYS N . 51322 1 144 . 1 . 1 29 29 GLY H H 1 8.5270 0.02 . 1 . . . . . 29 GLY H . 51322 1 145 . 1 . 1 29 29 GLY C C 13 173.8270 0.2 . 1 . . . . . 29 GLY C . 51322 1 146 . 1 . 1 29 29 GLY CA C 13 45.1360 0.2 . 1 . . . . . 29 GLY CA . 51322 1 147 . 1 . 1 29 29 GLY N N 15 109.7770 0.1 . 1 . . . . . 29 GLY N . 51322 1 148 . 1 . 1 30 30 ALA H H 1 8.1240 0.02 . 1 . . . . . 30 ALA H . 51322 1 149 . 1 . 1 30 30 ALA C C 13 177.7340 0.2 . 1 . . . . . 30 ALA C . 51322 1 150 . 1 . 1 30 30 ALA CA C 13 52.4520 0.2 . 1 . . . . . 30 ALA CA . 51322 1 151 . 1 . 1 30 30 ALA CB C 13 19.2790 0.2 . 1 . . . . . 30 ALA CB . 51322 1 152 . 1 . 1 30 30 ALA N N 15 123.7050 0.1 . 1 . . . . . 30 ALA N . 51322 1 153 . 1 . 1 31 31 ILE H H 1 8.2810 0.02 . 1 . . . . . 31 ILE H . 51322 1 154 . 1 . 1 31 31 ILE C C 13 176.5060 0.2 . 1 . . . . . 31 ILE C . 51322 1 155 . 1 . 1 31 31 ILE CA C 13 61.0670 0.2 . 1 . . . . . 31 ILE CA . 51322 1 156 . 1 . 1 31 31 ILE CB C 13 38.3980 0.2 . 1 . . . . . 31 ILE CB . 51322 1 157 . 1 . 1 31 31 ILE CG1 C 13 27.2450 0.2 . 1 . . . . . 31 ILE CG1 . 51322 1 158 . 1 . 1 31 31 ILE CG2 C 13 17.4290 0.2 . 1 . . . . . 31 ILE CG2 . 51322 1 159 . 1 . 1 31 31 ILE CD1 C 13 12.6220 0.2 . 1 . . . . . 31 ILE CD1 . 51322 1 160 . 1 . 1 31 31 ILE N N 15 120.9280 0.1 . 1 . . . . . 31 ILE N . 51322 1 161 . 1 . 1 32 32 ILE H H 1 8.4290 0.02 . 1 . . . . . 32 ILE H . 51322 1 162 . 1 . 1 32 32 ILE C C 13 176.7700 0.2 . 1 . . . . . 32 ILE C . 51322 1 163 . 1 . 1 32 32 ILE CA C 13 61.1420 0.2 . 1 . . . . . 32 ILE CA . 51322 1 164 . 1 . 1 32 32 ILE CB C 13 38.5260 0.2 . 1 . . . . . 32 ILE CB . 51322 1 165 . 1 . 1 32 32 ILE CG1 C 13 27.2450 0.2 . 1 . . . . . 32 ILE CG1 . 51322 1 166 . 1 . 1 32 32 ILE CG2 C 13 17.4290 0.2 . 1 . . . . . 32 ILE CG2 . 51322 1 167 . 1 . 1 32 32 ILE CD1 C 13 12.6220 0.2 . 1 . . . . . 32 ILE CD1 . 51322 1 168 . 1 . 1 32 32 ILE N N 15 126.4740 0.1 . 1 . . . . . 32 ILE N . 51322 1 169 . 1 . 1 33 33 GLY H H 1 8.5870 0.02 . 1 . . . . . 33 GLY H . 51322 1 170 . 1 . 1 33 33 GLY C C 13 173.7000 0.2 . 1 . . . . . 33 GLY C . 51322 1 171 . 1 . 1 33 33 GLY CA C 13 45.1230 0.2 . 1 . . . . . 33 GLY CA . 51322 1 172 . 1 . 1 33 33 GLY N N 15 113.2580 0.1 . 1 . . . . . 33 GLY N . 51322 1 173 . 1 . 1 34 34 LEU H H 1 8.1590 0.02 . 1 . . . . . 34 LEU H . 51322 1 174 . 1 . 1 34 34 LEU C C 13 177.0790 0.2 . 1 . . . . . 34 LEU C . 51322 1 175 . 1 . 1 34 34 LEU CA C 13 55.1460 0.2 . 1 . . . . . 34 LEU CA . 51322 1 176 . 1 . 1 34 34 LEU CB C 13 42.6960 0.2 . 1 . . . . . 34 LEU CB . 51322 1 177 . 1 . 1 34 34 LEU CG C 13 26.7670 0.2 . 1 . . . . . 34 LEU CG . 51322 1 178 . 1 . 1 34 34 LEU CD1 C 13 23.7450 0.2 . 2 . . . . . 34 LEU CD1 . 51322 1 179 . 1 . 1 34 34 LEU CD2 C 13 24.7770 0.2 . 2 . . . . . 34 LEU CD2 . 51322 1 180 . 1 . 1 34 34 LEU N N 15 121.9570 0.1 . 1 . . . . . 34 LEU N . 51322 1 181 . 1 . 1 35 35 MET H H 1 8.5320 0.02 . 1 . . . . . 35 MET H . 51322 1 182 . 1 . 1 35 35 MET C C 13 176.2310 0.2 . 1 . . . . . 35 MET C . 51322 1 183 . 1 . 1 35 35 MET CA C 13 55.1470 0.2 . 1 . . . . . 35 MET CA . 51322 1 184 . 1 . 1 35 35 MET CB C 13 33.1360 0.2 . 1 . . . . . 35 MET CB . 51322 1 185 . 1 . 1 35 35 MET CG C 13 31.9910 0.2 . 1 . . . . . 35 MET CG . 51322 1 186 . 1 . 1 35 35 MET N N 15 122.1950 0.1 . 1 . . . . . 35 MET N . 51322 1 187 . 1 . 1 36 36 VAL H H 1 8.4400 0.02 . 1 . . . . . 36 VAL H . 51322 1 188 . 1 . 1 36 36 VAL C C 13 176.9770 0.2 . 1 . . . . . 36 VAL C . 51322 1 189 . 1 . 1 36 36 VAL CA C 13 62.4930 0.2 . 1 . . . . . 36 VAL CA . 51322 1 190 . 1 . 1 36 36 VAL CB C 13 33.1380 0.2 . 1 . . . . . 36 VAL CB . 51322 1 191 . 1 . 1 36 36 VAL N N 15 123.0840 0.1 . 1 . . . . . 36 VAL N . 51322 1 192 . 1 . 1 37 37 GLY H H 1 8.8690 0.02 . 1 . . . . . 37 GLY H . 51322 1 193 . 1 . 1 37 37 GLY C C 13 174.8420 0.2 . 1 . . . . . 37 GLY C . 51322 1 194 . 1 . 1 37 37 GLY CA C 13 45.5780 0.2 . 1 . . . . . 37 GLY CA . 51322 1 195 . 1 . 1 37 37 GLY N N 15 114.6130 0.1 . 1 . . . . . 37 GLY N . 51322 1 196 . 1 . 1 38 38 GLY H H 1 8.4250 0.02 . 1 . . . . . 38 GLY H . 51322 1 197 . 1 . 1 38 38 GLY C C 13 173.7030 0.2 . 1 . . . . . 38 GLY C . 51322 1 198 . 1 . 1 38 38 GLY CA C 13 45.0790 0.2 . 1 . . . . . 38 GLY CA . 51322 1 199 . 1 . 1 38 38 GLY N N 15 108.0520 0.1 . 1 . . . . . 38 GLY N . 51322 1 200 . 1 . 1 39 39 VAL H H 1 8.0110 0.02 . 1 . . . . . 39 VAL H . 51322 1 201 . 1 . 1 39 39 VAL C C 13 175.7550 0.2 . 1 . . . . . 39 VAL C . 51322 1 202 . 1 . 1 39 39 VAL CA C 13 61.9500 0.2 . 1 . . . . . 39 VAL CA . 51322 1 203 . 1 . 1 39 39 VAL CB C 13 33.3200 0.2 . 1 . . . . . 39 VAL CB . 51322 1 204 . 1 . 1 39 39 VAL N N 15 119.9950 0.1 . 1 . . . . . 39 VAL N . 51322 1 205 . 1 . 1 40 40 VAL H H 1 8.5150 0.02 . 1 . . . . . 40 VAL H . 51322 1 206 . 1 . 1 40 40 VAL C C 13 176.1290 0.2 . 1 . . . . . 40 VAL C . 51322 1 207 . 1 . 1 40 40 VAL CA C 13 62.5270 0.2 . 1 . . . . . 40 VAL CA . 51322 1 208 . 1 . 1 40 40 VAL CB C 13 32.7080 0.2 . 1 . . . . . 40 VAL CB . 51322 1 209 . 1 . 1 40 40 VAL N N 15 126.3930 0.1 . 1 . . . . . 40 VAL N . 51322 1 210 . 1 . 1 41 41 ILE H H 1 8.5630 0.02 . 1 . . . . . 41 ILE H . 51322 1 211 . 1 . 1 41 41 ILE C C 13 175.0470 0.2 . 1 . . . . . 41 ILE C . 51322 1 212 . 1 . 1 41 41 ILE CA C 13 60.8310 0.2 . 1 . . . . . 41 ILE CA . 51322 1 213 . 1 . 1 41 41 ILE CB C 13 38.3940 0.2 . 1 . . . . . 41 ILE CB . 51322 1 214 . 1 . 1 41 41 ILE CG1 C 13 27.0780 0.2 . 1 . . . . . 41 ILE CG1 . 51322 1 215 . 1 . 1 41 41 ILE CG2 C 13 17.4380 0.2 . 1 . . . . . 41 ILE CG2 . 51322 1 216 . 1 . 1 41 41 ILE CD1 C 13 12.6810 0.2 . 1 . . . . . 41 ILE CD1 . 51322 1 217 . 1 . 1 41 41 ILE N N 15 127.9340 0.1 . 1 . . . . . 41 ILE N . 51322 1 218 . 1 . 1 42 42 ALA H H 1 8.1460 0.02 . 1 . . . . . 42 ALA H . 51322 1 219 . 1 . 1 42 42 ALA CA C 13 53.8560 0.2 . 1 . . . . . 42 ALA CA . 51322 1 220 . 1 . 1 42 42 ALA CB C 13 20.2440 0.2 . 1 . . . . . 42 ALA CB . 51322 1 221 . 1 . 1 42 42 ALA N N 15 134.8620 0.1 . 1 . . . . . 42 ALA N . 51322 1 stop_ save_