################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6863 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 unknown 1 $NC_labeled_fragment isotropic 6863 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 4 4 MET HA H 1 4.4580 0.02 . . . . . . 1 MET HA . 6863 1 2 . 1 1 4 4 MET HG2 H 1 2.5790 0.02 . . . . . . 1 MET HG . 6863 1 3 . 1 1 4 4 MET HG3 H 1 2.5790 0.02 . . . . . . 1 MET HG . 6863 1 4 . 1 1 4 4 MET C C 13 175.7310 0.1 . . . . . . 1 MET C . 6863 1 5 . 1 1 4 4 MET CA C 13 55.3140 0.1 . . . . . . 1 MET CA . 6863 1 6 . 1 1 4 4 MET CG C 13 31.9630 0.1 . . . . . . 1 MET CG . 6863 1 7 . 1 1 5 5 ALA H H 1 8.3230 0.02 . . . . . . 2 ALA H . 6863 1 8 . 1 1 5 5 ALA HB1 H 1 1.4120 0.02 . . . . . . 2 ALA HB . 6863 1 9 . 1 1 5 5 ALA HB2 H 1 1.4120 0.02 . . . . . . 2 ALA HB . 6863 1 10 . 1 1 5 5 ALA HB3 H 1 1.4120 0.02 . . . . . . 2 ALA HB . 6863 1 11 . 1 1 5 5 ALA C C 13 176.9140 0.1 . . . . . . 2 ALA C . 6863 1 12 . 1 1 5 5 ALA CA C 13 52.7588 0.1 . . . . . . 2 ALA CA . 6863 1 13 . 1 1 5 5 ALA CB C 13 19.4490 0.1 . . . . . . 2 ALA CB . 6863 1 14 . 1 1 5 5 ALA N N 15 126.2109 0.1 . . . . . . 2 ALA N . 6863 1 15 . 1 1 6 6 THR H H 1 7.7622 0.02 . . . . . . 3 THR H . 6863 1 16 . 1 1 6 6 THR CA C 13 63.0996 0.1 . . . . . . 3 THR CA . 6863 1 17 . 1 1 6 6 THR N N 15 118.9108 0.1 . . . . . . 3 THR N . 6863 1 18 . 1 1 7 7 THR HA H 1 4.2430 0.02 . . . . . . 4 THR HA . 6863 1 19 . 1 1 7 7 THR C C 13 174.5390 0.1 . . . . . . 4 THR C . 6863 1 20 . 1 1 7 7 THR CA C 13 62.1991 0.1 . . . . . . 4 THR CA . 6863 1 21 . 1 1 7 7 THR CB C 13 69.8060 0.1 . . . . . . 4 THR CB . 6863 1 22 . 1 1 7 7 THR CG2 C 13 22.0240 0.1 . . . . . . 4 THR CG2 . 6863 1 23 . 1 1 8 8 MET H H 1 8.5587 0.02 . . . . . . 5 MET H . 6863 1 24 . 1 1 8 8 MET HA H 1 4.4410 0.02 . . . . . . 5 MET HA . 6863 1 25 . 1 1 8 8 MET HB2 H 1 2.0380 0.02 . . . . . . 5 MET HB . 6863 1 26 . 1 1 8 8 MET HB3 H 1 2.0380 0.02 . . . . . . 5 MET HB . 6863 1 27 . 1 1 8 8 MET HG2 H 1 2.5310 0.02 . . . . . . 5 MET HG . 6863 1 28 . 1 1 8 8 MET HG3 H 1 2.5310 0.02 . . . . . . 5 MET HG . 6863 1 29 . 1 1 8 8 MET C C 13 176.2010 0.1 . . . . . . 5 MET C . 6863 1 30 . 1 1 8 8 MET CA C 13 56.0939 0.1 . . . . . . 5 MET CA . 6863 1 31 . 1 1 8 8 MET CB C 13 34.0130 0.1 . . . . . . 5 MET CB . 6863 1 32 . 1 1 8 8 MET CG C 13 31.9140 0.1 . . . . . . 5 MET CG . 6863 1 33 . 1 1 8 8 MET N N 15 122.9616 0.1 . . . . . . 5 MET N . 6863 1 34 . 1 1 9 9 GLU H H 1 8.7050 0.02 . . . . . . 6 GLU H . 6863 1 35 . 1 1 9 9 GLU HA H 1 4.2020 0.02 . . . . . . 6 GLU HA . 6863 1 36 . 1 1 9 9 GLU HB2 H 1 1.9260 0.02 . . . . . . 6 GLU HB . 6863 1 37 . 1 1 9 9 GLU HB3 H 1 1.9260 0.02 . . . . . . 6 GLU HB . 6863 1 38 . 1 1 9 9 GLU HG2 H 1 2.2790 0.02 . . . . . . 6 GLU HG . 6863 1 39 . 1 1 9 9 GLU HG3 H 1 2.2790 0.02 . . . . . . 6 GLU HG . 6863 1 40 . 1 1 9 9 GLU C C 13 176.4350 0.1 . . . . . . 6 GLU C . 6863 1 41 . 1 1 9 9 GLU CA C 13 57.5922 0.1 . . . . . . 6 GLU CA . 6863 1 42 . 1 1 9 9 GLU CB C 13 29.5590 0.1 . . . . . . 6 GLU CB . 6863 1 43 . 1 1 9 9 GLU CG C 13 36.4580 0.1 . . . . . . 6 GLU CG . 6863 1 44 . 1 1 9 9 GLU N N 15 121.6054 0.1 . . . . . . 6 GLU N . 6863 1 45 . 1 1 10 10 GLN H H 1 8.2315 0.02 . . . . . . 7 GLN H . 6863 1 46 . 1 1 10 10 GLN HA H 1 4.3820 0.02 . . . . . . 7 GLN HA . 6863 1 47 . 1 1 10 10 GLN HB2 H 1 1.9890 0.02 . . . . . . 7 GLN HB . 6863 1 48 . 1 1 10 10 GLN HB3 H 1 1.9890 0.02 . . . . . . 7 GLN HB . 6863 1 49 . 1 1 10 10 GLN HG2 H 1 2.3590 0.02 . . . . . . 7 GLN HG . 6863 1 50 . 1 1 10 10 GLN HG3 H 1 2.3590 0.02 . . . . . . 7 GLN HG . 6863 1 51 . 1 1 10 10 GLN HE21 H 1 7.6200 0.02 . . . . . . 7 GLN HE21 . 6863 1 52 . 1 1 10 10 GLN HE22 H 1 6.8900 0.02 . . . . . . 7 GLN HE22 . 6863 1 53 . 1 1 10 10 GLN C C 13 175.7120 0.1 . . . . . . 7 GLN C . 6863 1 54 . 1 1 10 10 GLN CA C 13 55.8254 0.1 . . . . . . 7 GLN CA . 6863 1 55 . 1 1 10 10 GLN CB C 13 29.4620 0.1 . . . . . . 7 GLN CB . 6863 1 56 . 1 1 10 10 GLN CG C 13 34.1390 0.1 . . . . . . 7 GLN CG . 6863 1 57 . 1 1 10 10 GLN N N 15 119.1992 0.1 . . . . . . 7 GLN N . 6863 1 58 . 1 1 10 10 GLN NE2 N 15 112.3170 0.1 . . . . . . 7 GLN NE2 . 6863 1 59 . 1 1 11 11 GLU H H 1 8.3746 0.02 . . . . . . 8 GLU H . 6863 1 60 . 1 1 11 11 GLU HA H 1 4.3830 0.02 . . . . . . 8 GLU HA . 6863 1 61 . 1 1 11 11 GLU HB2 H 1 1.9510 0.02 . . . . . . 8 GLU HB . 6863 1 62 . 1 1 11 11 GLU HB3 H 1 1.9510 0.02 . . . . . . 8 GLU HB . 6863 1 63 . 1 1 11 11 GLU HG2 H 1 2.2960 0.02 . . . . . . 8 GLU HG . 6863 1 64 . 1 1 11 11 GLU HG3 H 1 2.2960 0.02 . . . . . . 8 GLU HG . 6863 1 65 . 1 1 11 11 GLU C C 13 175.3900 0.1 . . . . . . 8 GLU C . 6863 1 66 . 1 1 11 11 GLU CA C 13 56.8195 0.1 . . . . . . 8 GLU CA . 6863 1 67 . 1 1 11 11 GLU CB C 13 30.3010 0.1 . . . . . . 8 GLU CB . 6863 1 68 . 1 1 11 11 GLU CG C 13 36.5320 0.1 . . . . . . 8 GLU CG . 6863 1 69 . 1 1 11 11 GLU N N 15 122.1443 0.1 . . . . . . 8 GLU N . 6863 1 70 . 1 1 12 12 ILE H H 1 8.0195 0.02 . . . . . . 9 ILE H . 6863 1 71 . 1 1 12 12 ILE HA H 1 4.6150 0.02 . . . . . . 9 ILE HA . 6863 1 72 . 1 1 12 12 ILE HB H 1 1.7960 0.02 . . . . . . 9 ILE HB . 6863 1 73 . 1 1 12 12 ILE HG12 H 1 1.3260 0.02 . . . . . . 9 ILE HG11 . 6863 1 74 . 1 1 12 12 ILE HG21 H 1 0.8830 0.02 . . . . . . 9 ILE HG2 . 6863 1 75 . 1 1 12 12 ILE HG22 H 1 0.8830 0.02 . . . . . . 9 ILE HG2 . 6863 1 76 . 1 1 12 12 ILE HG23 H 1 0.8830 0.02 . . . . . . 9 ILE HG2 . 6863 1 77 . 1 1 12 12 ILE C C 13 176.1080 0.1 . . . . . . 9 ILE C . 6863 1 78 . 1 1 12 12 ILE CA C 13 58.7019 0.1 . . . . . . 9 ILE CA . 6863 1 79 . 1 1 12 12 ILE CB C 13 38.9240 0.1 . . . . . . 9 ILE CB . 6863 1 80 . 1 1 12 12 ILE CG1 C 13 26.3540 0.1 . . . . . . 9 ILE CG1 . 6863 1 81 . 1 1 12 12 ILE CG2 C 13 17.2800 0.1 . . . . . . 9 ILE CG2 . 6863 1 82 . 1 1 12 12 ILE CD1 C 13 11.5550 0.1 . . . . . . 9 ILE CD1 . 6863 1 83 . 1 1 12 12 ILE N N 15 121.0135 0.1 . . . . . . 9 ILE N . 6863 1 84 . 1 1 13 13 CYS H H 1 9.1246 0.02 . . . . . . 10 CYS H . 6863 1 85 . 1 1 13 13 CYS HA H 1 4.5750 0.02 . . . . . . 10 CYS HA . 6863 1 86 . 1 1 13 13 CYS HB2 H 1 3.5080 0.02 . . . . . . 10 CYS HB1 . 6863 1 87 . 1 1 13 13 CYS HB3 H 1 1.8750 0.02 . . . . . . 10 CYS HB2 . 6863 1 88 . 1 1 13 13 CYS C C 13 177.2190 0.1 . . . . . . 10 CYS C . 6863 1 89 . 1 1 13 13 CYS CA C 13 58.0730 0.1 . . . . . . 10 CYS CA . 6863 1 90 . 1 1 13 13 CYS CB C 13 32.9990 0.1 . . . . . . 10 CYS CB . 6863 1 91 . 1 1 13 13 CYS N N 15 126.6502 0.1 . . . . . . 10 CYS N . 6863 1 92 . 1 1 14 14 ALA H H 1 8.3039 0.02 . . . . . . 11 ALA H . 6863 1 93 . 1 1 14 14 ALA HA H 1 4.0120 0.02 . . . . . . 11 ALA HA . 6863 1 94 . 1 1 14 14 ALA HB1 H 1 0.9890 0.02 . . . . . . 11 ALA HB . 6863 1 95 . 1 1 14 14 ALA HB2 H 1 0.9890 0.02 . . . . . . 11 ALA HB . 6863 1 96 . 1 1 14 14 ALA HB3 H 1 0.9890 0.02 . . . . . . 11 ALA HB . 6863 1 97 . 1 1 14 14 ALA C C 13 177.9280 0.1 . . . . . . 11 ALA C . 6863 1 98 . 1 1 14 14 ALA CA C 13 53.8434 0.1 . . . . . . 11 ALA CA . 6863 1 99 . 1 1 14 14 ALA CB C 13 18.6780 0.1 . . . . . . 11 ALA CB . 6863 1 100 . 1 1 14 14 ALA N N 15 121.8515 0.1 . . . . . . 11 ALA N . 6863 1 101 . 1 1 15 15 HIS H H 1 10.4021 0.02 . . . . . . 12 HIS H . 6863 1 102 . 1 1 15 15 HIS HA H 1 4.6130 0.02 . . . . . . 12 HIS HA . 6863 1 103 . 1 1 15 15 HIS HB2 H 1 3.4990 0.02 . . . . . . 12 HIS HB1 . 6863 1 104 . 1 1 15 15 HIS HB3 H 1 2.8650 0.02 . . . . . . 12 HIS HB2 . 6863 1 105 . 1 1 15 15 HIS C C 13 174.6860 0.1 . . . . . . 12 HIS C . 6863 1 106 . 1 1 15 15 HIS CA C 13 56.5032 0.1 . . . . . . 12 HIS CA . 6863 1 107 . 1 1 15 15 HIS CB C 13 29.6910 0.1 . . . . . . 12 HIS CB . 6863 1 108 . 1 1 15 15 HIS N N 15 122.0227 0.1 . . . . . . 12 HIS N . 6863 1 109 . 1 1 16 16 SER H H 1 8.1952 0.02 . . . . . . 13 SER H . 6863 1 110 . 1 1 16 16 SER HA H 1 4.1430 0.02 . . . . . . 13 SER HA . 6863 1 111 . 1 1 16 16 SER HB2 H 1 3.8130 0.02 . . . . . . 13 SER HB . 6863 1 112 . 1 1 16 16 SER HB3 H 1 3.8130 0.02 . . . . . . 13 SER HB . 6863 1 113 . 1 1 16 16 SER C C 13 173.0810 0.1 . . . . . . 13 SER C . 6863 1 114 . 1 1 16 16 SER CA C 13 59.6133 0.1 . . . . . . 13 SER CA . 6863 1 115 . 1 1 16 16 SER N N 15 112.0382 0.1 . . . . . . 13 SER N . 6863 1 116 . 1 1 17 17 MET H H 1 7.5764 0.02 . . . . . . 14 MET H . 6863 1 117 . 1 1 17 17 MET HA H 1 4.8050 0.02 . . . . . . 14 MET HA . 6863 1 118 . 1 1 17 17 MET HB2 H 1 2.0930 0.02 . . . . . . 14 MET HB2 . 6863 1 119 . 1 1 17 17 MET HG2 H 1 2.4650 0.02 . . . . . . 14 MET HG1 . 6863 1 120 . 1 1 17 17 MET C C 13 174.2290 0.1 . . . . . . 14 MET C . 6863 1 121 . 1 1 17 17 MET CA C 13 53.8394 0.1 . . . . . . 14 MET CA . 6863 1 122 . 1 1 17 17 MET CB C 13 34.5320 0.1 . . . . . . 14 MET CB . 6863 1 123 . 1 1 17 17 MET CG C 13 32.4970 0.1 . . . . . . 14 MET CG . 6863 1 124 . 1 1 17 17 MET N N 15 119.1478 0.1 . . . . . . 14 MET N . 6863 1 125 . 1 1 18 18 THR H H 1 8.4788 0.02 . . . . . . 15 THR H . 6863 1 126 . 1 1 18 18 THR HA H 1 4.7790 0.02 . . . . . . 15 THR HA . 6863 1 127 . 1 1 18 18 THR HB H 1 4.5210 0.02 . . . . . . 15 THR HB . 6863 1 128 . 1 1 18 18 THR HG21 H 1 1.3190 0.02 . . . . . . 15 THR HG2 . 6863 1 129 . 1 1 18 18 THR HG22 H 1 1.3190 0.02 . . . . . . 15 THR HG2 . 6863 1 130 . 1 1 18 18 THR HG23 H 1 1.3190 0.02 . . . . . . 15 THR HG2 . 6863 1 131 . 1 1 18 18 THR C C 13 176.3700 0.1 . . . . . . 15 THR C . 6863 1 132 . 1 1 18 18 THR CA C 13 62.5555 0.1 . . . . . . 15 THR CA . 6863 1 133 . 1 1 18 18 THR CB C 13 69.6490 0.1 . . . . . . 15 THR CB . 6863 1 134 . 1 1 18 18 THR CG2 C 13 22.6920 0.1 . . . . . . 15 THR CG2 . 6863 1 135 . 1 1 18 18 THR N N 15 112.1471 0.1 . . . . . . 15 THR N . 6863 1 136 . 1 1 19 19 PHE H H 1 8.4929 0.02 . . . . . . 16 PHE H . 6863 1 137 . 1 1 19 19 PHE HA H 1 3.8350 0.02 . . . . . . 16 PHE HA . 6863 1 138 . 1 1 19 19 PHE HB2 H 1 2.9970 0.02 . . . . . . 16 PHE HB . 6863 1 139 . 1 1 19 19 PHE HB3 H 1 2.9970 0.02 . . . . . . 16 PHE HB . 6863 1 140 . 1 1 19 19 PHE C C 13 177.3860 0.1 . . . . . . 16 PHE C . 6863 1 141 . 1 1 19 19 PHE CA C 13 63.0474 0.1 . . . . . . 16 PHE CA . 6863 1 142 . 1 1 19 19 PHE CB C 13 39.3080 0.1 . . . . . . 16 PHE CB . 6863 1 143 . 1 1 19 19 PHE N N 15 122.7605 0.1 . . . . . . 16 PHE N . 6863 1 144 . 1 1 20 20 GLU H H 1 8.4305 0.02 . . . . . . 17 GLU H . 6863 1 145 . 1 1 20 20 GLU HA H 1 4.0410 0.02 . . . . . . 17 GLU HA . 6863 1 146 . 1 1 20 20 GLU HB2 H 1 1.9800 0.02 . . . . . . 17 GLU HB . 6863 1 147 . 1 1 20 20 GLU HB3 H 1 1.9800 0.02 . . . . . . 17 GLU HB . 6863 1 148 . 1 1 20 20 GLU HG2 H 1 2.3190 0.02 . . . . . . 17 GLU HG . 6863 1 149 . 1 1 20 20 GLU HG3 H 1 2.3190 0.02 . . . . . . 17 GLU HG . 6863 1 150 . 1 1 20 20 GLU C C 13 177.4210 0.1 . . . . . . 17 GLU C . 6863 1 151 . 1 1 20 20 GLU CA C 13 58.7637 0.1 . . . . . . 17 GLU CA . 6863 1 152 . 1 1 20 20 GLU CB C 13 29.3360 0.1 . . . . . . 17 GLU CB . 6863 1 153 . 1 1 20 20 GLU CG C 13 36.6350 0.1 . . . . . . 17 GLU CG . 6863 1 154 . 1 1 20 20 GLU N N 15 112.9497 0.1 . . . . . . 17 GLU N . 6863 1 155 . 1 1 21 21 GLU H H 1 7.5236 0.02 . . . . . . 18 GLU H . 6863 1 156 . 1 1 21 21 GLU HA H 1 4.2310 0.02 . . . . . . 18 GLU HA . 6863 1 157 . 1 1 21 21 GLU HB2 H 1 1.9070 0.02 . . . . . . 18 GLU HB . 6863 1 158 . 1 1 21 21 GLU HB3 H 1 1.9070 0.02 . . . . . . 18 GLU HB . 6863 1 159 . 1 1 21 21 GLU HG2 H 1 2.2380 0.02 . . . . . . 18 GLU HG . 6863 1 160 . 1 1 21 21 GLU HG3 H 1 2.2380 0.02 . . . . . . 18 GLU HG . 6863 1 161 . 1 1 21 21 GLU C C 13 176.0450 0.1 . . . . . . 18 GLU C . 6863 1 162 . 1 1 21 21 GLU CA C 13 56.2104 0.1 . . . . . . 18 GLU CA . 6863 1 163 . 1 1 21 21 GLU CB C 13 30.8950 0.1 . . . . . . 18 GLU CB . 6863 1 164 . 1 1 21 21 GLU CG C 13 36.8960 0.1 . . . . . . 18 GLU CG . 6863 1 165 . 1 1 21 21 GLU N N 15 116.7564 0.1 . . . . . . 18 GLU N . 6863 1 166 . 1 1 22 22 CYS H H 1 7.7923 0.02 . . . . . . 19 CYS H . 6863 1 167 . 1 1 22 22 CYS CA C 13 57.2819 0.1 . . . . . . 19 CYS CA . 6863 1 168 . 1 1 22 22 CYS N N 15 124.7482 0.1 . . . . . . 19 CYS N . 6863 1 169 . 1 1 23 23 PRO HA H 1 4.3870 0.02 . . . . . . 20 PRO HA . 6863 1 170 . 1 1 23 23 PRO HB2 H 1 1.9600 0.02 . . . . . . 20 PRO HB . 6863 1 171 . 1 1 23 23 PRO HB3 H 1 1.9600 0.02 . . . . . . 20 PRO HB . 6863 1 172 . 1 1 23 23 PRO HG2 H 1 2.3210 0.02 . . . . . . 20 PRO HG . 6863 1 173 . 1 1 23 23 PRO HG3 H 1 2.3210 0.02 . . . . . . 20 PRO HG . 6863 1 174 . 1 1 23 23 PRO HD2 H 1 4.0280 0.02 . . . . . . 20 PRO HD . 6863 1 175 . 1 1 23 23 PRO HD3 H 1 4.0280 0.02 . . . . . . 20 PRO HD . 6863 1 176 . 1 1 23 23 PRO C C 13 177.7330 0.1 . . . . . . 20 PRO C . 6863 1 177 . 1 1 23 23 PRO CA C 13 64.3919 0.1 . . . . . . 20 PRO CA . 6863 1 178 . 1 1 23 23 PRO CB C 13 32.2250 0.1 . . . . . . 20 PRO CB . 6863 1 179 . 1 1 23 23 PRO CG C 13 27.3020 0.1 . . . . . . 20 PRO CG . 6863 1 180 . 1 1 23 23 PRO CD C 13 51.1640 0.1 . . . . . . 20 PRO CD . 6863 1 181 . 1 1 24 24 LYS H H 1 8.4054 0.02 . . . . . . 21 LYS H . 6863 1 182 . 1 1 24 24 LYS HA H 1 4.2620 0.02 . . . . . . 21 LYS HA . 6863 1 183 . 1 1 24 24 LYS HB2 H 1 1.2040 0.02 . . . . . . 21 LYS HB . 6863 1 184 . 1 1 24 24 LYS HB3 H 1 1.2040 0.02 . . . . . . 21 LYS HB . 6863 1 185 . 1 1 24 24 LYS HG2 H 1 1.7090 0.02 . . . . . . 21 LYS HG . 6863 1 186 . 1 1 24 24 LYS HG3 H 1 1.7090 0.02 . . . . . . 21 LYS HG . 6863 1 187 . 1 1 24 24 LYS HD2 H 1 1.3720 0.02 . . . . . . 21 LYS HD . 6863 1 188 . 1 1 24 24 LYS HD3 H 1 1.3720 0.02 . . . . . . 21 LYS HD . 6863 1 189 . 1 1 24 24 LYS HE2 H 1 2.8290 0.02 . . . . . . 21 LYS HE . 6863 1 190 . 1 1 24 24 LYS HE3 H 1 2.8290 0.02 . . . . . . 21 LYS HE . 6863 1 191 . 1 1 24 24 LYS C C 13 178.7070 0.1 . . . . . . 21 LYS C . 6863 1 192 . 1 1 24 24 LYS CA C 13 58.2638 0.1 . . . . . . 21 LYS CA . 6863 1 193 . 1 1 24 24 LYS CB C 13 33.8440 0.1 . . . . . . 21 LYS CB . 6863 1 194 . 1 1 24 24 LYS CG C 13 28.7900 0.1 . . . . . . 21 LYS CG . 6863 1 195 . 1 1 24 24 LYS CD C 13 25.2680 0.1 . . . . . . 21 LYS CD . 6863 1 196 . 1 1 24 24 LYS CE C 13 42.0960 0.1 . . . . . . 21 LYS CE . 6863 1 197 . 1 1 24 24 LYS N N 15 119.8126 0.1 . . . . . . 21 LYS N . 6863 1 198 . 1 1 25 25 CYS H H 1 9.1101 0.02 . . . . . . 22 CYS H . 6863 1 199 . 1 1 25 25 CYS HA H 1 4.2440 0.02 . . . . . . 22 CYS HA . 6863 1 200 . 1 1 25 25 CYS HB2 H 1 3.1010 0.02 . . . . . . 22 CYS HB1 . 6863 1 201 . 1 1 25 25 CYS HB3 H 1 2.5290 0.02 . . . . . . 22 CYS HB2 . 6863 1 202 . 1 1 25 25 CYS C C 13 176.7620 0.1 . . . . . . 22 CYS C . 6863 1 203 . 1 1 25 25 CYS CA C 13 63.1041 0.1 . . . . . . 22 CYS CA . 6863 1 204 . 1 1 25 25 CYS CB C 13 29.4380 0.1 . . . . . . 22 CYS CB . 6863 1 205 . 1 1 25 25 CYS N N 15 122.5700 0.1 . . . . . . 22 CYS N . 6863 1 206 . 1 1 26 26 SER H H 1 8.0107 0.02 . . . . . . 23 SER H . 6863 1 207 . 1 1 26 26 SER HA H 1 4.3390 0.02 . . . . . . 23 SER HA . 6863 1 208 . 1 1 26 26 SER HB2 H 1 3.9370 0.02 . . . . . . 23 SER HB . 6863 1 209 . 1 1 26 26 SER HB3 H 1 3.9370 0.02 . . . . . . 23 SER HB . 6863 1 210 . 1 1 26 26 SER C C 13 174.9140 0.1 . . . . . . 23 SER C . 6863 1 211 . 1 1 26 26 SER CA C 13 59.7750 0.1 . . . . . . 23 SER CA . 6863 1 212 . 1 1 26 26 SER CB C 13 63.7150 0.1 . . . . . . 23 SER CB . 6863 1 213 . 1 1 26 26 SER N N 15 113.7010 0.1 . . . . . . 23 SER N . 6863 1 214 . 1 1 27 27 ALA H H 1 7.4780 0.02 . . . . . . 24 ALA H . 6863 1 215 . 1 1 27 27 ALA HB1 H 1 1.3740 0.02 . . . . . . 24 ALA HB . 6863 1 216 . 1 1 27 27 ALA HB2 H 1 1.3740 0.02 . . . . . . 24 ALA HB . 6863 1 217 . 1 1 27 27 ALA HB3 H 1 1.3740 0.02 . . . . . . 24 ALA HB . 6863 1 218 . 1 1 27 27 ALA C C 13 177.5730 0.1 . . . . . . 24 ALA C . 6863 1 219 . 1 1 27 27 ALA CA C 13 52.6567 0.1 . . . . . . 24 ALA CA . 6863 1 220 . 1 1 27 27 ALA CB C 13 19.1720 0.1 . . . . . . 24 ALA CB . 6863 1 221 . 1 1 27 27 ALA N N 15 123.8456 0.1 . . . . . . 24 ALA N . 6863 1 222 . 1 1 28 28 LEU H H 1 7.7929 0.02 . . . . . . 25 LEU H . 6863 1 223 . 1 1 28 28 LEU HA H 1 4.2490 0.02 . . . . . . 25 LEU HA . 6863 1 224 . 1 1 28 28 LEU HB2 H 1 1.7230 0.02 . . . . . . 25 LEU HB1 . 6863 1 225 . 1 1 28 28 LEU HB3 H 1 1.4710 0.02 . . . . . . 25 LEU HB2 . 6863 1 226 . 1 1 28 28 LEU HD11 H 1 0.9700 0.02 . . . . . . 25 LEU HD1 . 6863 1 227 . 1 1 28 28 LEU HD12 H 1 0.9700 0.02 . . . . . . 25 LEU HD1 . 6863 1 228 . 1 1 28 28 LEU HD13 H 1 0.9700 0.02 . . . . . . 25 LEU HD1 . 6863 1 229 . 1 1 28 28 LEU HD21 H 1 0.8690 0.02 . . . . . . 25 LEU HD2 . 6863 1 230 . 1 1 28 28 LEU HD22 H 1 0.8690 0.02 . . . . . . 25 LEU HD2 . 6863 1 231 . 1 1 28 28 LEU HD23 H 1 0.8690 0.02 . . . . . . 25 LEU HD2 . 6863 1 232 . 1 1 28 28 LEU C C 13 176.9310 0.1 . . . . . . 25 LEU C . 6863 1 233 . 1 1 28 28 LEU CA C 13 55.3152 0.1 . . . . . . 25 LEU CA . 6863 1 234 . 1 1 28 28 LEU CB C 13 42.0820 0.1 . . . . . . 25 LEU CB . 6863 1 235 . 1 1 28 28 LEU CG C 13 26.8720 0.1 . . . . . . 25 LEU CG . 6863 1 236 . 1 1 28 28 LEU CD1 C 13 25.1690 0.1 . . . . . . 25 LEU CD1 . 6863 1 237 . 1 1 28 28 LEU CD2 C 13 23.2240 0.1 . . . . . . 25 LEU CD2 . 6863 1 238 . 1 1 28 28 LEU N N 15 119.9935 0.1 . . . . . . 25 LEU N . 6863 1 239 . 1 1 29 29 GLN H H 1 8.0080 0.02 . . . . . . 26 GLN H . 6863 1 240 . 1 1 29 29 GLN HA H 1 4.2820 0.02 . . . . . . 26 GLN HA . 6863 1 241 . 1 1 29 29 GLN HB2 H 1 1.8830 0.02 . . . . . . 26 GLN HB . 6863 1 242 . 1 1 29 29 GLN HB3 H 1 1.8830 0.02 . . . . . . 26 GLN HB . 6863 1 243 . 1 1 29 29 GLN HG2 H 1 2.2480 0.02 . . . . . . 26 GLN HG . 6863 1 244 . 1 1 29 29 GLN HG3 H 1 2.2480 0.02 . . . . . . 26 GLN HG . 6863 1 245 . 1 1 29 29 GLN HE21 H 1 7.4900 0.02 . . . . . . 26 GLN HE21 . 6863 1 246 . 1 1 29 29 GLN HE22 H 1 6.7900 0.02 . . . . . . 26 GLN HE22 . 6863 1 247 . 1 1 29 29 GLN C C 13 174.5590 0.1 . . . . . . 26 GLN C . 6863 1 248 . 1 1 29 29 GLN CA C 13 55.4965 0.1 . . . . . . 26 GLN CA . 6863 1 249 . 1 1 29 29 GLN CB C 13 29.3900 0.1 . . . . . . 26 GLN CB . 6863 1 250 . 1 1 29 29 GLN CG C 13 33.8130 0.1 . . . . . . 26 GLN CG . 6863 1 251 . 1 1 29 29 GLN N N 15 120.0996 0.1 . . . . . . 26 GLN N . 6863 1 252 . 1 1 29 29 GLN NE2 N 15 112.2700 0.1 . . . . . . 26 GLN NE2 . 6863 1 253 . 1 1 30 30 TYR H H 1 7.6793 0.02 . . . . . . 27 TYR H . 6863 1 254 . 1 1 30 30 TYR N N 15 126.3568 0.1 . . . . . . 27 TYR N . 6863 1 255 . 1 1 32 32 ASN HB2 H 1 2.7560 0.02 . . . . . . 29 ASN HB1 . 6863 1 256 . 1 1 32 32 ASN C C 13 175.4120 0.1 . . . . . . 29 ASN C . 6863 1 257 . 1 1 32 32 ASN CA C 13 53.6287 0.1 . . . . . . 29 ASN CA . 6863 1 258 . 1 1 33 33 GLY H H 1 8.1438 0.02 . . . . . . 30 GLY H . 6863 1 259 . 1 1 33 33 GLY HA2 H 1 3.8350 0.02 . . . . . . 30 GLY HA . 6863 1 260 . 1 1 33 33 GLY HA3 H 1 3.8350 0.02 . . . . . . 30 GLY HA . 6863 1 261 . 1 1 33 33 GLY C C 13 173.5370 0.1 . . . . . . 30 GLY C . 6863 1 262 . 1 1 33 33 GLY CA C 13 45.4198 0.1 . . . . . . 30 GLY CA . 6863 1 263 . 1 1 33 33 GLY N N 15 108.7560 0.1 . . . . . . 30 GLY N . 6863 1 264 . 1 1 34 34 PHE H H 1 7.9605 0.02 . . . . . . 31 PHE H . 6863 1 265 . 1 1 34 34 PHE HA H 1 4.5660 0.02 . . . . . . 31 PHE HA . 6863 1 266 . 1 1 34 34 PHE HB2 H 1 3.0270 0.02 . . . . . . 31 PHE HB . 6863 1 267 . 1 1 34 34 PHE HB3 H 1 3.0270 0.02 . . . . . . 31 PHE HB . 6863 1 268 . 1 1 34 34 PHE C C 13 174.4410 0.1 . . . . . . 31 PHE C . 6863 1 269 . 1 1 34 34 PHE CA C 13 57.8795 0.1 . . . . . . 31 PHE CA . 6863 1 270 . 1 1 34 34 PHE N N 15 119.8992 0.1 . . . . . . 31 PHE N . 6863 1 271 . 1 1 35 35 TYR H H 1 7.6091 0.02 . . . . . . 32 TYR H . 6863 1 272 . 1 1 35 35 TYR CA C 13 59.2278 0.1 . . . . . . 32 TYR CA . 6863 1 273 . 1 1 35 35 TYR N N 15 125.7152 0.1 . . . . . . 32 TYR N . 6863 1 stop_ save_