################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16641 _Assigned_chem_shift_list.ID 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 $chemical_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 HSQC' . . . 16641 1 2 '3D CBCA(CO)NH' . . . 16641 1 3 '3D HNCACB' . . . 16641 1 4 '3D HBHA(CO)NH' . . . 16641 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 1 1 VAL H H 1 8.7700 0.015 . 1 . . . . 2 VAL HN . 16641 1 2 . 1 1 1 1 VAL HA H 1 4.3390 0.015 . 1 . . . . 2 VAL HA . 16641 1 3 . 1 1 1 1 VAL CA C 13 62.2300 0.05 . 1 . . . . 2 VAL CA . 16641 1 4 . 1 1 1 1 VAL CB C 13 32.9500 0.05 . 1 . . . . 2 VAL CB . 16641 1 5 . 1 1 1 1 VAL N N 15 120.1300 0.05 . 1 . . . . 2 VAL N . 16641 1 6 . 1 1 2 2 ASP H H 1 9.2100 0.015 . 1 . . . . 3 ASP HN . 16641 1 7 . 1 1 2 2 ASP HA H 1 4.7900 0.015 . 1 . . . . 3 ASP HA . 16641 1 8 . 1 1 2 2 ASP CA C 13 52.9900 0.05 . 1 . . . . 3 ASP CA . 16641 1 9 . 1 1 2 2 ASP CB C 13 43.5100 0.05 . 1 . . . . 3 ASP CB . 16641 1 10 . 1 1 2 2 ASP N N 15 128.7100 0.05 . 1 . . . . 3 ASP N . 16641 1 11 . 1 1 3 3 TYR H H 1 9.3500 0.015 . 1 . . . . 4 TYR HN . 16641 1 12 . 1 1 3 3 TYR HA H 1 4.2210 0.015 . 1 . . . . 4 TYR HA . 16641 1 13 . 1 1 3 3 TYR CA C 13 56.3700 0.05 . 1 . . . . 4 TYR CA . 16641 1 14 . 1 1 3 3 TYR CB C 13 43.0500 0.05 . 1 . . . . 4 TYR CB . 16641 1 15 . 1 1 3 3 TYR N N 15 120.2700 0.05 . 1 . . . . 4 TYR N . 16641 1 16 . 1 1 4 4 ILE H H 1 9.4300 0.015 . 1 . . . . 5 ILE HN . 16641 1 17 . 1 1 4 4 ILE HA H 1 4.2840 0.015 . 1 . . . . 5 ILE HA . 16641 1 18 . 1 1 4 4 ILE CA C 13 58.0000 0.05 . 1 . . . . 5 ILE CA . 16641 1 19 . 1 1 4 4 ILE CB C 13 41.9100 0.05 . 1 . . . . 5 ILE CB . 16641 1 20 . 1 1 4 4 ILE N N 15 119.4300 0.05 . 1 . . . . 5 ILE N . 16641 1 21 . 1 1 5 5 VAL H H 1 8.5300 0.015 . 1 . . . . 6 VAL HN . 16641 1 22 . 1 1 5 5 VAL HA H 1 4.0480 0.015 . 1 . . . . 6 VAL HA . 16641 1 23 . 1 1 5 5 VAL CA C 13 63.7200 0.05 . 1 . . . . 6 VAL CA . 16641 1 24 . 1 1 5 5 VAL CB C 13 31.8600 0.05 . 1 . . . . 6 VAL CB . 16641 1 25 . 1 1 5 5 VAL N N 15 126.1800 0.05 . 1 . . . . 6 VAL N . 16641 1 26 . 1 1 6 6 GLU H H 1 9.2200 0.015 . 1 . . . . 7 GLU HN . 16641 1 27 . 1 1 6 6 GLU HA H 1 4.2810 0.015 . 1 . . . . 7 GLU HA . 16641 1 28 . 1 1 6 6 GLU CA C 13 57.0700 0.05 . 1 . . . . 7 GLU CA . 16641 1 29 . 1 1 6 6 GLU CB C 13 32.4400 0.05 . 1 . . . . 7 GLU CB . 16641 1 30 . 1 1 6 6 GLU N N 15 129.5500 0.05 . 1 . . . . 7 GLU N . 16641 1 31 . 1 1 7 7 TYR H H 1 8.4000 0.015 . 1 . . . . 8 TYR HN . 16641 1 32 . 1 1 7 7 TYR HA H 1 4.4940 0.015 . 1 . . . . 8 TYR HA . 16641 1 33 . 1 1 7 7 TYR CA C 13 52.6500 0.05 . 1 . . . . 8 TYR CA . 16641 1 34 . 1 1 7 7 TYR CB C 13 45.8300 0.05 . 1 . . . . 8 TYR CB . 16641 1 35 . 1 1 7 7 TYR N N 15 122.8000 0.05 . 1 . . . . 8 TYR N . 16641 1 36 . 1 1 8 8 ASP H H 1 8.7900 0.015 . 1 . . . . 9 ASP HN . 16641 1 37 . 1 1 8 8 ASP HA H 1 4.5800 0.015 . 1 . . . . 9 ASP HA . 16641 1 38 . 1 1 8 8 ASP CA C 13 54.8300 0.05 . 1 . . . . 9 ASP CA . 16641 1 39 . 1 1 8 8 ASP CB C 13 37.0300 0.05 . 1 . . . . 9 ASP CB . 16641 1 40 . 1 1 8 8 ASP N N 15 117.1800 0.05 . 1 . . . . 9 ASP N . 16641 1 41 . 1 1 9 9 TYR H H 1 8.6100 0.015 . 1 . . . . 10 TYR HN . 16641 1 42 . 1 1 9 9 TYR HA H 1 4.5150 0.015 . 1 . . . . 10 TYR HA . 16641 1 43 . 1 1 9 9 TYR CA C 13 55.1400 0.05 . 1 . . . . 10 TYR CA . 16641 1 44 . 1 1 9 9 TYR CB C 13 37.3800 0.05 . 1 . . . . 10 TYR CB . 16641 1 45 . 1 1 9 9 TYR N N 15 116.1900 0.05 . 1 . . . . 10 TYR N . 16641 1 46 . 1 1 10 10 ASP H H 1 7.4100 0.015 . 1 . . . . 11 ASP HN . 16641 1 47 . 1 1 10 10 ASP HA H 1 4.8040 0.015 . 1 . . . . 11 ASP HA . 16641 1 48 . 1 1 10 10 ASP CA C 13 52.5400 0.05 . 1 . . . . 11 ASP CA . 16641 1 49 . 1 1 10 10 ASP CB C 13 41.6900 0.05 . 1 . . . . 11 ASP CB . 16641 1 50 . 1 1 10 10 ASP N N 15 127.5800 0.05 . 1 . . . . 11 ASP N . 16641 1 51 . 1 1 11 11 ALA H H 1 7.7800 0.015 . 1 . . . . 12 ALA HN . 16641 1 52 . 1 1 11 11 ALA CA C 13 52.9300 0.05 . 1 . . . . 12 ALA CA . 16641 1 53 . 1 1 11 11 ALA CB C 13 20.8200 0.05 . 1 . . . . 12 ALA CB . 16641 1 54 . 1 1 11 11 ALA N N 15 123.2300 0.05 . 1 . . . . 12 ALA N . 16641 1 55 . 1 1 12 12 VAL H H 1 8.7700 0.015 . 1 . . . . 13 VAL HN . 16641 1 56 . 1 1 12 12 VAL HA H 1 4.0130 0.015 . 1 . . . . 13 VAL HA . 16641 1 57 . 1 1 12 12 VAL CA C 13 62.2300 0.05 . 1 . . . . 13 VAL CA . 16641 1 58 . 1 1 12 12 VAL CB C 13 32.9500 0.05 . 1 . . . . 13 VAL CB . 16641 1 59 . 1 1 12 12 VAL N N 15 120.1300 0.05 . 1 . . . . 13 VAL N . 16641 1 60 . 1 1 13 13 HIS H H 1 7.1200 0.015 . 1 . . . . 14 HIS HN . 16641 1 61 . 1 1 13 13 HIS HA H 1 4.9060 0.015 . 1 . . . . 14 HIS HA . 16641 1 62 . 1 1 13 13 HIS CA C 13 53.9200 0.05 . 1 . . . . 14 HIS CA . 16641 1 63 . 1 1 13 13 HIS CB C 13 32.4100 0.05 . 1 . . . . 14 HIS CB . 16641 1 64 . 1 1 13 13 HIS N N 15 114.5100 0.05 . 1 . . . . 14 HIS N . 16641 1 65 . 1 1 14 14 ASP H H 1 8.8100 0.015 . 1 . . . . 15 ASP HN . 16641 1 66 . 1 1 14 14 ASP HA H 1 4.4290 0.015 . 1 . . . . 15 ASP HA . 16641 1 67 . 1 1 14 14 ASP CA C 13 57.0000 0.05 . 1 . . . . 15 ASP CA . 16641 1 68 . 1 1 14 14 ASP CB C 13 40.6400 0.05 . 1 . . . . 15 ASP CB . 16641 1 69 . 1 1 14 14 ASP N N 15 120.4100 0.05 . 1 . . . . 15 ASP N . 16641 1 70 . 1 1 15 15 ASP H H 1 8.3900 0.015 . 1 . . . . 16 ASP HN . 16641 1 71 . 1 1 15 15 ASP HA H 1 4.6890 0.015 . 1 . . . . 16 ASP HA . 16641 1 72 . 1 1 15 15 ASP CA C 13 53.4600 0.05 . 1 . . . . 16 ASP CA . 16641 1 73 . 1 1 15 15 ASP CB C 13 39.3400 0.05 . 1 . . . . 16 ASP CB . 16641 1 74 . 1 1 15 15 ASP N N 15 115.2100 0.05 . 1 . . . . 16 ASP N . 16641 1 75 . 1 1 16 16 GLU H H 1 7.7000 0.015 . 1 . . . . 17 GLU HN . 16641 1 76 . 1 1 16 16 GLU HA H 1 4.2330 0.015 . 1 . . . . 17 GLU HA . 16641 1 77 . 1 1 16 16 GLU CA C 13 54.7000 0.05 . 1 . . . . 17 GLU CA . 16641 1 78 . 1 1 16 16 GLU CB C 13 32.8600 0.05 . 1 . . . . 17 GLU CB . 16641 1 79 . 1 1 16 16 GLU N N 15 119.0100 0.05 . 1 . . . . 17 GLU N . 16641 1 80 . 1 1 17 17 LEU H H 1 8.8500 0.015 . 1 . . . . 18 LEU HN . 16641 1 81 . 1 1 17 17 LEU HA H 1 4.5850 0.015 . 1 . . . . 18 LEU HA . 16641 1 82 . 1 1 17 17 LEU CA C 13 53.7300 0.05 . 1 . . . . 18 LEU CA . 16641 1 83 . 1 1 17 17 LEU CB C 13 45.2000 0.05 . 1 . . . . 18 LEU CB . 16641 1 84 . 1 1 17 17 LEU N N 15 120.5500 0.05 . 1 . . . . 18 LEU N . 16641 1 85 . 1 1 18 18 THR H H 1 7.5000 0.015 . 1 . . . . 19 THR HN . 16641 1 86 . 1 1 18 18 THR CA C 13 62.8500 0.05 . 1 . . . . 19 THR CA . 16641 1 87 . 1 1 18 18 THR CB C 13 70.0900 0.05 . 1 . . . . 19 THR CB . 16641 1 88 . 1 1 18 18 THR N N 15 117.6000 0.05 . 1 . . . . 19 THR N . 16641 1 89 . 1 1 19 19 ILE H H 1 9.2400 0.015 . 1 . . . . 20 ILE HN . 16641 1 90 . 1 1 19 19 ILE CA C 13 59.8100 0.05 . 1 . . . . 20 ILE CA . 16641 1 91 . 1 1 19 19 ILE CB C 13 40.6300 0.05 . 1 . . . . 20 ILE CB . 16641 1 92 . 1 1 19 19 ILE N N 15 121.5400 0.05 . 1 . . . . 20 ILE N . 16641 1 93 . 1 1 20 20 ARG H H 1 8.8900 0.015 . 1 . . . . 21 ARG HN . 16641 1 94 . 1 1 20 20 ARG HA H 1 4.3960 0.015 . 1 . . . . 21 ARG HA . 16641 1 95 . 1 1 20 20 ARG CA C 13 52.0800 0.05 . 1 . . . . 21 ARG CA . 16641 1 96 . 1 1 20 20 ARG CB C 13 33.3200 0.05 . 1 . . . . 21 ARG CB . 16641 1 97 . 1 1 20 20 ARG N N 15 124.9100 0.05 . 1 . . . . 21 ARG N . 16641 1 98 . 1 1 21 21 VAL H H 1 8.0100 0.015 . 1 . . . . 22 VAL HN . 16641 1 99 . 1 1 21 21 VAL HA H 1 4.7830 0.015 . 1 . . . . 22 VAL HA . 16641 1 100 . 1 1 21 21 VAL CA C 13 65.2700 0.05 . 1 . . . . 22 VAL CA . 16641 1 101 . 1 1 21 21 VAL CB C 13 32.0600 0.05 . 1 . . . . 22 VAL CB . 16641 1 102 . 1 1 21 21 VAL N N 15 118.3000 0.05 . 1 . . . . 22 VAL N . 16641 1 103 . 1 1 22 22 GLY H H 1 8.7100 0.015 . 1 . . . . 23 GLY HN . 16641 1 104 . 1 1 22 22 GLY HA2 H 1 4.3570 0.015 . 2 . . . . 23 GLY HA1 . 16641 1 105 . 1 1 22 22 GLY HA3 H 1 3.4670 0.015 . 2 . . . . 23 GLY HA2 . 16641 1 106 . 1 1 22 22 GLY CA C 13 44.7100 0.05 . 1 . . . . 23 GLY CA . 16641 1 107 . 1 1 22 22 GLY N N 15 114.6500 0.05 . 1 . . . . 23 GLY N . 16641 1 108 . 1 1 23 23 GLU H H 1 8.1100 0.015 . 1 . . . . 24 GLU HN . 16641 1 109 . 1 1 23 23 GLU HA H 1 4.1440 0.015 . 1 . . . . 24 GLU HA . 16641 1 110 . 1 1 23 23 GLU CA C 13 57.6000 0.05 . 1 . . . . 24 GLU CA . 16641 1 111 . 1 1 23 23 GLU CB C 13 30.2000 0.05 . 1 . . . . 24 GLU CB . 16641 1 112 . 1 1 23 23 GLU N N 15 119.9900 0.05 . 1 . . . . 24 GLU N . 16641 1 113 . 1 1 24 24 ILE H H 1 8.0000 0.015 . 1 . . . . 25 ILE HN . 16641 1 114 . 1 1 24 24 ILE HA H 1 4.7960 0.015 . 1 . . . . 25 ILE HA . 16641 1 115 . 1 1 24 24 ILE CA C 13 59.5900 0.05 . 1 . . . . 25 ILE CA . 16641 1 116 . 1 1 24 24 ILE CB C 13 39.1500 0.05 . 1 . . . . 25 ILE CB . 16641 1 117 . 1 1 24 24 ILE N N 15 119.4300 0.05 . 1 . . . . 25 ILE N . 16641 1 118 . 1 1 25 25 ILE H H 1 9.3500 0.015 . 1 . . . . 26 ILE HN . 16641 1 119 . 1 1 25 25 ILE HA H 1 4.2150 0.015 . 1 . . . . 26 ILE HA . 16641 1 120 . 1 1 25 25 ILE CA C 13 59.6900 0.05 . 1 . . . . 26 ILE CA . 16641 1 121 . 1 1 25 25 ILE CB C 13 38.7800 0.05 . 1 . . . . 26 ILE CB . 16641 1 122 . 1 1 25 25 ILE N N 15 128.2900 0.05 . 1 . . . . 26 ILE N . 16641 1 123 . 1 1 26 26 ARG H H 1 8.7100 0.015 . 1 . . . . 27 ARG HN . 16641 1 124 . 1 1 26 26 ARG HA H 1 4.2570 0.015 . 1 . . . . 27 ARG HA . 16641 1 125 . 1 1 26 26 ARG CA C 13 54.5300 0.05 . 1 . . . . 27 ARG CA . 16641 1 126 . 1 1 26 26 ARG CB C 13 33.4300 0.05 . 1 . . . . 27 ARG CB . 16641 1 127 . 1 1 26 26 ARG N N 15 123.7900 0.05 . 1 . . . . 27 ARG N . 16641 1 128 . 1 1 27 27 ASN H H 1 8.6300 0.015 . 1 . . . . 28 ASN HN . 16641 1 129 . 1 1 27 27 ASN HA H 1 4.4740 0.015 . 1 . . . . 28 ASN HA . 16641 1 130 . 1 1 27 27 ASN CA C 13 54.2400 0.05 . 1 . . . . 28 ASN CA . 16641 1 131 . 1 1 27 27 ASN CB C 13 36.5600 0.05 . 1 . . . . 28 ASN CB . 16641 1 132 . 1 1 27 27 ASN N N 15 117.4600 0.05 . 1 . . . . 28 ASN N . 16641 1 133 . 1 1 28 28 VAL H H 1 8.6300 0.015 . 1 . . . . 29 VAL HN . 16641 1 134 . 1 1 28 28 VAL HA H 1 3.9580 0.015 . 1 . . . . 29 VAL HA . 16641 1 135 . 1 1 28 28 VAL CA C 13 62.6300 0.05 . 1 . . . . 29 VAL CA . 16641 1 136 . 1 1 28 28 VAL CB C 13 32.5800 0.05 . 1 . . . . 29 VAL CB . 16641 1 137 . 1 1 28 28 VAL N N 15 120.5500 0.05 . 1 . . . . 29 VAL N . 16641 1 138 . 1 1 29 29 LYS H H 1 9.3900 0.015 . 1 . . . . 30 LYS HN . 16641 1 139 . 1 1 29 29 LYS HA H 1 4.7160 0.015 . 1 . . . . 30 LYS HA . 16641 1 140 . 1 1 29 29 LYS CA C 13 54.3000 0.05 . 1 . . . . 30 LYS CA . 16641 1 141 . 1 1 29 29 LYS CB C 13 36.6300 0.05 . 1 . . . . 30 LYS CB . 16641 1 142 . 1 1 29 29 LYS N N 15 127.4400 0.05 . 1 . . . . 30 LYS N . 16641 1 143 . 1 1 30 30 LYS H H 1 8.4700 0.015 . 1 . . . . 31 LYS HN . 16641 1 144 . 1 1 30 30 LYS HA H 1 4.3370 0.015 . 1 . . . . 31 LYS HA . 16641 1 145 . 1 1 30 30 LYS CA C 13 56.7700 0.05 . 1 . . . . 31 LYS CA . 16641 1 146 . 1 1 30 30 LYS CB C 13 33.1100 0.05 . 1 . . . . 31 LYS CB . 16641 1 147 . 1 1 30 30 LYS N N 15 121.8200 0.05 . 1 . . . . 31 LYS N . 16641 1 148 . 1 1 31 31 LEU H H 1 7.6200 0.015 . 1 . . . . 32 LEU HN . 16641 1 149 . 1 1 31 31 LEU HA H 1 4.5850 0.015 . 1 . . . . 32 LEU HA . 16641 1 150 . 1 1 31 31 LEU CA C 13 53.6500 0.05 . 1 . . . . 32 LEU CA . 16641 1 151 . 1 1 31 31 LEU CB C 13 42.7400 0.05 . 1 . . . . 32 LEU CB . 16641 1 152 . 1 1 31 31 LEU N N 15 123.7900 0.05 . 1 . . . . 32 LEU N . 16641 1 153 . 1 1 32 32 GLN H H 1 8.3900 0.015 . 1 . . . . 33 GLN HN . 16641 1 154 . 1 1 32 32 GLN HA H 1 4.0320 0.015 . 1 . . . . 33 GLN HA . 16641 1 155 . 1 1 32 32 GLN CA C 13 57.7400 0.05 . 1 . . . . 33 GLN CA . 16641 1 156 . 1 1 32 32 GLN CB C 13 28.7400 0.05 . 1 . . . . 33 GLN CB . 16641 1 157 . 1 1 32 32 GLN N N 15 118.3000 0.05 . 1 . . . . 33 GLN N . 16641 1 158 . 1 1 33 33 GLU H H 1 7.4700 0.015 . 1 . . . . 34 GLU HN . 16641 1 159 . 1 1 33 33 GLU HA H 1 4.2290 0.015 . 1 . . . . 34 GLU HA . 16641 1 160 . 1 1 33 33 GLU CA C 13 56.1900 0.05 . 1 . . . . 34 GLU CA . 16641 1 161 . 1 1 33 33 GLU CB C 13 29.3300 0.05 . 1 . . . . 34 GLU CB . 16641 1 162 . 1 1 33 33 GLU N N 15 119.0100 0.05 . 1 . . . . 34 GLU N . 16641 1 163 . 1 1 34 34 GLU H H 1 8.3900 0.015 . 1 . . . . 35 GLU HN . 16641 1 164 . 1 1 34 34 GLU HA H 1 4.0870 0.015 . 1 . . . . 35 GLU HA . 16641 1 165 . 1 1 34 34 GLU CA C 13 57.8200 0.05 . 1 . . . . 35 GLU CA . 16641 1 166 . 1 1 34 34 GLU CB C 13 29.7000 0.05 . 1 . . . . 35 GLU CB . 16641 1 167 . 1 1 34 34 GLU N N 15 125.3300 0.05 . 1 . . . . 35 GLU N . 16641 1 168 . 1 1 35 35 GLY H H 1 8.5300 0.015 . 1 . . . . 36 GLY HN . 16641 1 169 . 1 1 35 35 GLY HA2 H 1 4.0920 0.015 . 2 . . . . 36 GLY HA1 . 16641 1 170 . 1 1 35 35 GLY HA3 H 1 3.6710 0.015 . 2 . . . . 36 GLY HA2 . 16641 1 171 . 1 1 35 35 GLY CA C 13 45.1200 0.05 . 1 . . . . 36 GLY CA . 16641 1 172 . 1 1 35 35 GLY N N 15 111.4100 0.05 . 1 . . . . 36 GLY N . 16641 1 173 . 1 1 36 36 TRP H H 1 7.6100 0.015 . 1 . . . . 37 TRP HN . 16641 1 174 . 1 1 36 36 TRP HA H 1 4.7300 0.015 . 1 . . . . 37 TRP HA . 16641 1 175 . 1 1 36 36 TRP CA C 13 57.0000 0.05 . 1 . . . . 37 TRP CA . 16641 1 176 . 1 1 36 36 TRP CB C 13 32.6100 0.05 . 1 . . . . 37 TRP CB . 16641 1 177 . 1 1 36 36 TRP N N 15 119.8500 0.05 . 1 . . . . 37 TRP N . 16641 1 178 . 1 1 37 37 LEU H H 1 8.4000 0.015 . 1 . . . . 38 LEU HN . 16641 1 179 . 1 1 37 37 LEU HA H 1 4.6590 0.015 . 1 . . . . 38 LEU HA . 16641 1 180 . 1 1 37 37 LEU CA C 13 52.6500 0.05 . 1 . . . . 38 LEU CA . 16641 1 181 . 1 1 37 37 LEU CB C 13 45.8300 0.05 . 1 . . . . 38 LEU CB . 16641 1 182 . 1 1 37 37 LEU N N 15 122.8000 0.05 . 1 . . . . 38 LEU N . 16641 1 183 . 1 1 38 38 GLU H H 1 8.3900 0.015 . 1 . . . . 39 GLU HN . 16641 1 184 . 1 1 38 38 GLU HA H 1 4.2110 0.015 . 1 . . . . 39 GLU HA . 16641 1 185 . 1 1 38 38 GLU CA C 13 54.0200 0.05 . 1 . . . . 39 GLU CA . 16641 1 186 . 1 1 38 38 GLU CB C 13 34.7800 0.05 . 1 . . . . 39 GLU CB . 16641 1 187 . 1 1 38 38 GLU N N 15 117.3200 0.05 . 1 . . . . 39 GLU N . 16641 1 188 . 1 1 39 39 GLY H H 1 8.7500 0.015 . 1 . . . . 40 GLY HN . 16641 1 189 . 1 1 39 39 GLY HA2 H 1 4.5120 0.015 . 2 . . . . 40 GLY HA1 . 16641 1 190 . 1 1 39 39 GLY HA3 H 1 3.8430 0.015 . 2 . . . . 40 GLY HA2 . 16641 1 191 . 1 1 39 39 GLY CA C 13 45.9100 0.05 . 1 . . . . 40 GLY CA . 16641 1 192 . 1 1 39 39 GLY N N 15 110.5700 0.05 . 1 . . . . 40 GLY N . 16641 1 193 . 1 1 40 40 GLU H H 1 9.0200 0.015 . 1 . . . . 41 GLU HN . 16641 1 194 . 1 1 40 40 GLU HA H 1 4.2890 0.015 . 1 . . . . 41 GLU HA . 16641 1 195 . 1 1 40 40 GLU CA C 13 54.8800 0.05 . 1 . . . . 41 GLU CA . 16641 1 196 . 1 1 40 40 GLU CB C 13 32.5900 0.05 . 1 . . . . 41 GLU CB . 16641 1 197 . 1 1 40 40 GLU N N 15 118.8700 0.05 . 1 . . . . 41 GLU N . 16641 1 198 . 1 1 41 41 LEU H H 1 9.0300 0.015 . 1 . . . . 42 LEU HN . 16641 1 199 . 1 1 41 41 LEU HA H 1 4.7050 0.015 . 1 . . . . 42 LEU HA . 16641 1 200 . 1 1 41 41 LEU CA C 13 54.6800 0.05 . 1 . . . . 42 LEU CA . 16641 1 201 . 1 1 41 41 LEU CB C 13 46.7600 0.05 . 1 . . . . 42 LEU CB . 16641 1 202 . 1 1 41 41 LEU N N 15 127.4400 0.05 . 1 . . . . 42 LEU N . 16641 1 203 . 1 1 42 42 ASN H H 1 9.5900 0.015 . 1 . . . . 43 ASN HN . 16641 1 204 . 1 1 42 42 ASN HA H 1 4.4170 0.015 . 1 . . . . 43 ASN HA . 16641 1 205 . 1 1 42 42 ASN CA C 13 54.4400 0.05 . 1 . . . . 43 ASN CA . 16641 1 206 . 1 1 42 42 ASN CB C 13 37.5100 0.05 . 1 . . . . 43 ASN CB . 16641 1 207 . 1 1 42 42 ASN N N 15 126.7400 0.05 . 1 . . . . 43 ASN N . 16641 1 208 . 1 1 43 43 GLY H H 1 8.9900 0.015 . 1 . . . . 44 GLY HN . 16641 1 209 . 1 1 43 43 GLY HA2 H 1 4.1750 0.015 . 2 . . . . 44 GLY HA1 . 16641 1 210 . 1 1 43 43 GLY HA3 H 1 3.6340 0.015 . 2 . . . . 44 GLY HA2 . 16641 1 211 . 1 1 43 43 GLY CA C 13 45.5700 0.05 . 1 . . . . 44 GLY CA . 16641 1 212 . 1 1 43 43 GLY N N 15 104.1000 0.05 . 1 . . . . 44 GLY N . 16641 1 213 . 1 1 44 44 ARG H H 1 7.7400 0.015 . 1 . . . . 45 ARG HN . 16641 1 214 . 1 1 44 44 ARG HA H 1 4.7150 0.015 . 1 . . . . 45 ARG HA . 16641 1 215 . 1 1 44 44 ARG CA C 13 54.6000 0.05 . 1 . . . . 45 ARG CA . 16641 1 216 . 1 1 44 44 ARG CB C 13 33.1100 0.05 . 1 . . . . 45 ARG CB . 16641 1 217 . 1 1 44 44 ARG N N 15 120.2700 0.05 . 1 . . . . 45 ARG N . 16641 1 218 . 1 1 45 45 ARG H H 1 8.5800 0.015 . 1 . . . . 46 ARG HN . 16641 1 219 . 1 1 45 45 ARG HA H 1 4.5490 0.015 . 1 . . . . 46 ARG HA . 16641 1 220 . 1 1 45 45 ARG CA C 13 54.4700 0.05 . 1 . . . . 46 ARG CA . 16641 1 221 . 1 1 45 45 ARG CB C 13 32.5600 0.05 . 1 . . . . 46 ARG CB . 16641 1 222 . 1 1 45 45 ARG N N 15 121.9600 0.05 . 1 . . . . 46 ARG N . 16641 1 223 . 1 1 46 46 GLY H H 1 8.6800 0.015 . 1 . . . . 47 GLY HN . 16641 1 224 . 1 1 46 46 GLY HA2 H 1 4.1340 0.015 . 2 . . . . 47 GLY HA1 . 16641 1 225 . 1 1 46 46 GLY CA C 13 45.6800 0.05 . 1 . . . . 47 GLY CA . 16641 1 226 . 1 1 46 46 GLY N N 15 109.7300 0.05 . 1 . . . . 47 GLY N . 16641 1 227 . 1 1 47 47 MET H H 1 8.7900 0.015 . 1 . . . . 48 MET HN . 16641 1 228 . 1 1 47 47 MET HA H 1 3.9600 0.015 . 1 . . . . 48 MET HA . 16641 1 229 . 1 1 47 47 MET CA C 13 54.8300 0.05 . 1 . . . . 48 MET CA . 16641 1 230 . 1 1 47 47 MET CB C 13 37.0300 0.05 . 1 . . . . 48 MET CB . 16641 1 231 . 1 1 47 47 MET N N 15 117.1800 0.05 . 1 . . . . 48 MET N . 16641 1 232 . 1 1 48 48 PHE H H 1 8.6100 0.015 . 1 . . . . 49 PHE HN . 16641 1 233 . 1 1 48 48 PHE CA C 13 55.1400 0.05 . 1 . . . . 49 PHE CA . 16641 1 234 . 1 1 48 48 PHE CB C 13 37.3800 0.05 . 1 . . . . 49 PHE CB . 16641 1 235 . 1 1 48 48 PHE N N 15 116.1900 0.05 . 1 . . . . 49 PHE N . 16641 1 236 . 1 1 49 49 PRO HA H 1 4.7780 0.015 . 1 . . . . 50 PRO HA . 16641 1 237 . 1 1 50 50 ASP H H 1 7.9200 0.015 . 1 . . . . 51 ASP HN . 16641 1 238 . 1 1 50 50 ASP HA H 1 4.8880 0.015 . 1 . . . . 51 ASP HA . 16641 1 239 . 1 1 50 50 ASP CA C 13 55.4100 0.05 . 1 . . . . 51 ASP CA . 16641 1 240 . 1 1 50 50 ASP CB C 13 40.5700 0.05 . 1 . . . . 51 ASP CB . 16641 1 241 . 1 1 50 50 ASP N N 15 119.9900 0.05 . 1 . . . . 51 ASP N . 16641 1 242 . 1 1 51 51 ASN H H 1 8.2200 0.015 . 1 . . . . 52 ASN HN . 16641 1 243 . 1 1 51 51 ASN HA H 1 4.7100 0.015 . 1 . . . . 52 ASN HA . 16641 1 244 . 1 1 51 51 ASN CA C 13 53.7100 0.05 . 1 . . . . 52 ASN CA . 16641 1 245 . 1 1 51 51 ASN CB C 13 36.5200 0.05 . 1 . . . . 52 ASN CB . 16641 1 246 . 1 1 51 51 ASN N N 15 112.6800 0.05 . 1 . . . . 52 ASN N . 16641 1 247 . 1 1 52 52 PHE H H 1 7.4000 0.015 . 1 . . . . 53 PHE HN . 16641 1 248 . 1 1 52 52 PHE HA H 1 4.8420 0.015 . 1 . . . . 53 PHE HA . 16641 1 249 . 1 1 52 52 PHE CA C 13 58.0000 0.05 . 1 . . . . 53 PHE CA . 16641 1 250 . 1 1 52 52 PHE CB C 13 39.4800 0.05 . 1 . . . . 53 PHE CB . 16641 1 251 . 1 1 52 52 PHE N N 15 117.4600 0.05 . 1 . . . . 53 PHE N . 16641 1 252 . 1 1 53 53 VAL H H 1 7.3900 0.015 . 1 . . . . 54 VAL HN . 16641 1 253 . 1 1 53 53 VAL HA H 1 4.4030 0.015 . 1 . . . . 54 VAL HA . 16641 1 254 . 1 1 53 53 VAL CA C 13 59.2200 0.05 . 1 . . . . 54 VAL CA . 16641 1 255 . 1 1 53 53 VAL CB C 13 37.1200 0.05 . 1 . . . . 54 VAL CB . 16641 1 256 . 1 1 53 53 VAL N N 15 109.5900 0.05 . 1 . . . . 54 VAL N . 16641 1 257 . 1 1 54 54 LYS H H 1 9.1300 0.015 . 1 . . . . 55 LYS HN . 16641 1 258 . 1 1 54 54 LYS HA H 1 4.7070 0.015 . 1 . . . . 55 LYS HA . 16641 1 259 . 1 1 54 54 LYS CA C 13 54.9600 0.05 . 1 . . . . 55 LYS CA . 16641 1 260 . 1 1 54 54 LYS CB C 13 36.5000 0.05 . 1 . . . . 55 LYS CB . 16641 1 261 . 1 1 54 54 LYS N N 15 119.9900 0.05 . 1 . . . . 55 LYS N . 16641 1 262 . 1 1 55 55 GLU H H 1 8.6300 0.015 . 1 . . . . 56 GLU HN . 16641 1 263 . 1 1 55 55 GLU HA H 1 4.7210 0.015 . 1 . . . . 56 GLU HA . 16641 1 264 . 1 1 55 55 GLU CA C 13 57.0900 0.05 . 1 . . . . 56 GLU CA . 16641 1 265 . 1 1 55 55 GLU CB C 13 30.5800 0.05 . 1 . . . . 56 GLU CB . 16641 1 266 . 1 1 55 55 GLU N N 15 128.2900 0.05 . 1 . . . . 56 GLU N . 16641 1 267 . 1 1 56 56 ILE H H 1 8.4200 0.015 . 1 . . . . 57 ILE HN . 16641 1 268 . 1 1 56 56 ILE HA H 1 3.9750 0.015 . 1 . . . . 57 ILE HA . 16641 1 269 . 1 1 56 56 ILE CA C 13 61.6500 0.05 . 1 . . . . 57 ILE CA . 16641 1 270 . 1 1 56 56 ILE CB C 13 37.9500 0.05 . 1 . . . . 57 ILE CB . 16641 1 271 . 1 1 56 56 ILE N N 15 127.0200 0.05 . 1 . . . . 57 ILE N . 16641 1 272 . 1 1 57 57 LYS H H 1 8.3700 0.015 . 1 . . . . 58 LYS HN . 16641 1 273 . 1 1 57 57 LYS HA H 1 4.3980 0.015 . 1 . . . . 58 LYS HA . 16641 1 274 . 1 1 57 57 LYS CA C 13 55.6000 0.05 . 1 . . . . 58 LYS CA . 16641 1 275 . 1 1 57 57 LYS CB C 13 33.2600 0.05 . 1 . . . . 58 LYS CB . 16641 1 276 . 1 1 57 57 LYS N N 15 128.7100 0.05 . 1 . . . . 58 LYS N . 16641 1 277 . 1 1 58 58 ARG H H 1 8.5400 0.015 . 1 . . . . 59 ARG HN . 16641 1 278 . 1 1 58 58 ARG HA H 1 4.3770 0.015 . 1 . . . . 59 ARG HA . 16641 1 279 . 1 1 58 58 ARG CA C 13 55.8300 0.05 . 1 . . . . 59 ARG CA . 16641 1 280 . 1 1 58 58 ARG CB C 13 31.1900 0.05 . 1 . . . . 59 ARG CB . 16641 1 281 . 1 1 58 58 ARG N N 15 123.6500 0.05 . 1 . . . . 59 ARG N . 16641 1 282 . 1 1 59 59 GLU H H 1 8.6800 0.015 . 1 . . . . 60 GLU HN . 16641 1 283 . 1 1 59 59 GLU HA H 1 4.3410 0.015 . 1 . . . . 60 GLU HA . 16641 1 284 . 1 1 59 59 GLU CA C 13 56.9600 0.05 . 1 . . . . 60 GLU CA . 16641 1 285 . 1 1 59 59 GLU CB C 13 30.2600 0.05 . 1 . . . . 60 GLU CB . 16641 1 286 . 1 1 59 59 GLU N N 15 122.6600 0.05 . 1 . . . . 60 GLU N . 16641 1 287 . 1 1 60 60 THR H H 1 8.0900 0.015 . 1 . . . . 61 THR HN . 16641 1 288 . 1 1 60 60 THR HA H 1 4.3420 0.015 . 1 . . . . 61 THR HA . 16641 1 289 . 1 1 60 60 THR CA C 13 61.6100 0.05 . 1 . . . . 61 THR CA . 16641 1 290 . 1 1 60 60 THR N N 15 114.0900 0.05 . 1 . . . . 61 THR N . 16641 1 291 . 1 1 61 61 GLU H H 1 8.0300 0.015 . 1 . . . . 62 GLU HN . 16641 1 292 . 1 1 61 61 GLU CA C 13 58.1400 0.05 . 1 . . . . 62 GLU CA . 16641 1 293 . 1 1 61 61 GLU CB C 13 31.0800 0.05 . 1 . . . . 62 GLU CB . 16641 1 294 . 1 1 61 61 GLU N N 15 128.0100 0.05 . 1 . . . . 62 GLU N . 16641 1 stop_ save_