################################### # 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 30223 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '3D 1H-15N NOESY' . . . 30223 1 2 '3D 1H-13C NOESY aliphatic' . . . 30223 1 3 '3D 1H-13C NOESY aromatic' . . . 30223 1 4 '3D HNCO' . . . 30223 1 5 '3D HNCACB' . . . 30223 1 6 '3D CBCA(CO)NH' . . . 30223 1 7 '3D 1H-15N TOCSY' . . . 30223 1 8 '3D CCH-TOCSY' . . . 30223 1 9 '3D HCCH-TOCSY' . . . 30223 1 10 '3D HCCH-COSY' . . . 30223 1 11 '2D 1H-15N HSQC' . . . 30223 1 12 '2D 1H-13C HSQC' . . . 30223 1 13 '2D 1H-13C HSQC' . . . 30223 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 MET H H 1 8.4000 0.0000 . 1 . . . . A 1 MET H1 . 30223 1 2 . 1 . 1 1 1 MET HA H 1 4.6900 0.0000 . 1 . . . . A 1 MET HA . 30223 1 3 . 1 . 1 1 1 MET HB2 H 1 1.9180 0.0000 . 2 . . . . A 1 MET HB2 . 30223 1 4 . 1 . 1 1 1 MET HG2 H 1 2.3480 0.0000 . 2 . . . . A 1 MET HG2 . 30223 1 5 . 1 . 1 1 1 MET C C 13 174.2760 0.0000 . 1 . . . . A 1 MET C . 30223 1 6 . 1 . 1 1 1 MET CA C 13 54.5960 0.0000 . 1 . . . . A 1 MET CA . 30223 1 7 . 1 . 1 1 1 MET CB C 13 35.2660 0.0000 . 1 . . . . A 1 MET CB . 30223 1 8 . 1 . 1 1 1 MET CG C 13 31.7940 0.0000 . 1 . . . . A 1 MET CG . 30223 1 9 . 1 . 1 1 1 MET N N 15 120.1280 0.0000 . 1 . . . . A 1 MET N . 30223 1 10 . 1 . 1 2 2 THR H H 1 8.1190 0.0000 . 1 . . . . A 2 THR H . 30223 1 11 . 1 . 1 2 2 THR HA H 1 4.8000 0.0000 . 1 . . . . A 2 THR HA . 30223 1 12 . 1 . 1 2 2 THR HB H 1 3.9100 0.0000 . 1 . . . . A 2 THR HB . 30223 1 13 . 1 . 1 2 2 THR HG21 H 1 1.2120 0.0000 . 1 . . . . A 2 THR HG21 . 30223 1 14 . 1 . 1 2 2 THR HG22 H 1 1.2120 0.0000 . 1 . . . . A 2 THR HG22 . 30223 1 15 . 1 . 1 2 2 THR HG23 H 1 1.2120 0.0000 . 1 . . . . A 2 THR HG23 . 30223 1 16 . 1 . 1 2 2 THR C C 13 174.2750 0.0000 . 1 . . . . A 2 THR C . 30223 1 17 . 1 . 1 2 2 THR CA C 13 63.4740 0.0000 . 1 . . . . A 2 THR CA . 30223 1 18 . 1 . 1 2 2 THR CB C 13 69.3030 0.0000 . 1 . . . . A 2 THR CB . 30223 1 19 . 1 . 1 2 2 THR CG2 C 13 21.8900 0.0000 . 1 . . . . A 2 THR CG2 . 30223 1 20 . 1 . 1 2 2 THR N N 15 116.9900 0.0000 . 1 . . . . A 2 THR N . 30223 1 21 . 1 . 1 3 3 PHE H H 1 9.3690 0.0000 . 1 . . . . A 3 PHE H . 30223 1 22 . 1 . 1 3 3 PHE HA H 1 5.3740 0.0000 . 1 . . . . A 3 PHE HA . 30223 1 23 . 1 . 1 3 3 PHE HB2 H 1 3.3970 0.0000 . 2 . . . . A 3 PHE HB2 . 30223 1 24 . 1 . 1 3 3 PHE HB3 H 1 2.9400 0.0000 . 2 . . . . A 3 PHE HB3 . 30223 1 25 . 1 . 1 3 3 PHE C C 13 174.5430 0.0000 . 1 . . . . A 3 PHE C . 30223 1 26 . 1 . 1 3 3 PHE CA C 13 57.0620 0.0000 . 1 . . . . A 3 PHE CA . 30223 1 27 . 1 . 1 3 3 PHE CB C 13 44.1570 0.0000 . 1 . . . . A 3 PHE CB . 30223 1 28 . 1 . 1 3 3 PHE N N 15 126.1500 0.0000 . 1 . . . . A 3 PHE N . 30223 1 29 . 1 . 1 4 4 LYS H H 1 8.9310 0.0000 . 1 . . . . A 4 LYS H . 30223 1 30 . 1 . 1 4 4 LYS HA H 1 5.4100 0.0000 . 1 . . . . A 4 LYS HA . 30223 1 31 . 1 . 1 4 4 LYS HB2 H 1 2.0100 0.0000 . 2 . . . . A 4 LYS HB2 . 30223 1 32 . 1 . 1 4 4 LYS HB3 H 1 1.9020 0.0000 . 2 . . . . A 4 LYS HB3 . 30223 1 33 . 1 . 1 4 4 LYS HG2 H 1 1.5140 0.0000 . 2 . . . . A 4 LYS HG2 . 30223 1 34 . 1 . 1 4 4 LYS HG3 H 1 1.4110 0.0000 . 2 . . . . A 4 LYS HG3 . 30223 1 35 . 1 . 1 4 4 LYS HD2 H 1 1.6480 0.0000 . 2 . . . . A 4 LYS HD2 . 30223 1 36 . 1 . 1 4 4 LYS HE2 H 1 2.7870 0.0000 . 2 . . . . A 4 LYS HE2 . 30223 1 37 . 1 . 1 4 4 LYS C C 13 173.9960 0.0000 . 1 . . . . A 4 LYS C . 30223 1 38 . 1 . 1 4 4 LYS CA C 13 54.6970 0.0000 . 1 . . . . A 4 LYS CA . 30223 1 39 . 1 . 1 4 4 LYS CB C 13 36.4910 0.0000 . 1 . . . . A 4 LYS CB . 30223 1 40 . 1 . 1 4 4 LYS CG C 13 25.4710 0.0000 . 1 . . . . A 4 LYS CG . 30223 1 41 . 1 . 1 4 4 LYS CD C 13 29.0160 0.0000 . 1 . . . . A 4 LYS CD . 30223 1 42 . 1 . 1 4 4 LYS CE C 13 41.8100 0.0000 . 1 . . . . A 4 LYS CE . 30223 1 43 . 1 . 1 4 4 LYS N N 15 121.7550 0.0000 . 1 . . . . A 4 LYS N . 30223 1 44 . 1 . 1 5 5 ALA H H 1 8.7710 0.0000 . 1 . . . . A 5 ALA H . 30223 1 45 . 1 . 1 5 5 ALA HA H 1 5.4250 0.0000 . 1 . . . . A 5 ALA HA . 30223 1 46 . 1 . 1 5 5 ALA HB1 H 1 0.1450 0.0000 . 1 . . . . A 5 ALA HB1 . 30223 1 47 . 1 . 1 5 5 ALA HB2 H 1 0.1450 0.0000 . 1 . . . . A 5 ALA HB2 . 30223 1 48 . 1 . 1 5 5 ALA HB3 H 1 0.1450 0.0000 . 1 . . . . A 5 ALA HB3 . 30223 1 49 . 1 . 1 5 5 ALA C C 13 175.3560 0.0000 . 1 . . . . A 5 ALA C . 30223 1 50 . 1 . 1 5 5 ALA CA C 13 50.0370 0.0000 . 1 . . . . A 5 ALA CA . 30223 1 51 . 1 . 1 5 5 ALA CB C 13 18.6530 0.0000 . 1 . . . . A 5 ALA CB . 30223 1 52 . 1 . 1 5 5 ALA N N 15 125.6120 0.0000 . 1 . . . . A 5 ALA N . 30223 1 53 . 1 . 1 6 6 ILE H H 1 9.0460 0.0000 . 1 . . . . A 6 ILE H . 30223 1 54 . 1 . 1 6 6 ILE HA H 1 4.3540 0.0000 . 1 . . . . A 6 ILE HA . 30223 1 55 . 1 . 1 6 6 ILE HB H 1 1.9250 0.0000 . 1 . . . . A 6 ILE HB . 30223 1 56 . 1 . 1 6 6 ILE HG12 H 1 1.4780 0.0000 . 2 . . . . A 6 ILE HG12 . 30223 1 57 . 1 . 1 6 6 ILE HG13 H 1 1.1380 0.0000 . 2 . . . . A 6 ILE HG13 . 30223 1 58 . 1 . 1 6 6 ILE HG21 H 1 0.8660 0.0000 . 1 . . . . A 6 ILE HG21 . 30223 1 59 . 1 . 1 6 6 ILE HG22 H 1 0.8660 0.0000 . 1 . . . . A 6 ILE HG22 . 30223 1 60 . 1 . 1 6 6 ILE HG23 H 1 0.8660 0.0000 . 1 . . . . A 6 ILE HG23 . 30223 1 61 . 1 . 1 6 6 ILE HD11 H 1 0.8160 0.0000 . 1 . . . . A 6 ILE HD11 . 30223 1 62 . 1 . 1 6 6 ILE HD12 H 1 0.8160 0.0000 . 1 . . . . A 6 ILE HD12 . 30223 1 63 . 1 . 1 6 6 ILE HD13 H 1 0.8160 0.0000 . 1 . . . . A 6 ILE HD13 . 30223 1 64 . 1 . 1 6 6 ILE C C 13 174.4450 0.0000 . 1 . . . . A 6 ILE C . 30223 1 65 . 1 . 1 6 6 ILE CA C 13 60.3270 0.0000 . 1 . . . . A 6 ILE CA . 30223 1 66 . 1 . 1 6 6 ILE CB C 13 39.3170 0.0000 . 1 . . . . A 6 ILE CB . 30223 1 67 . 1 . 1 6 6 ILE CG1 C 13 27.6040 0.0000 . 1 . . . . A 6 ILE CG1 . 30223 1 68 . 1 . 1 6 6 ILE CG2 C 13 17.1510 0.0000 . 1 . . . . A 6 ILE CG2 . 30223 1 69 . 1 . 1 6 6 ILE CD1 C 13 12.9890 0.0000 . 1 . . . . A 6 ILE CD1 . 30223 1 70 . 1 . 1 6 6 ILE N N 15 122.9700 0.0000 . 1 . . . . A 6 ILE N . 30223 1 71 . 1 . 1 7 7 ILE H H 1 8.6210 0.0000 . 1 . . . . A 7 ILE H . 30223 1 72 . 1 . 1 7 7 ILE HA H 1 4.2120 0.0000 . 1 . . . . A 7 ILE HA . 30223 1 73 . 1 . 1 7 7 ILE HB H 1 1.4820 0.0000 . 1 . . . . A 7 ILE HB . 30223 1 74 . 1 . 1 7 7 ILE HG12 H 1 1.2020 0.0000 . 2 . . . . A 7 ILE HG12 . 30223 1 75 . 1 . 1 7 7 ILE HG13 H 1 0.7410 0.0000 . 2 . . . . A 7 ILE HG13 . 30223 1 76 . 1 . 1 7 7 ILE HG21 H 1 0.3710 0.0000 . 1 . . . . A 7 ILE HG21 . 30223 1 77 . 1 . 1 7 7 ILE HG22 H 1 0.3710 0.0000 . 1 . . . . A 7 ILE HG22 . 30223 1 78 . 1 . 1 7 7 ILE HG23 H 1 0.3710 0.0000 . 1 . . . . A 7 ILE HG23 . 30223 1 79 . 1 . 1 7 7 ILE HD11 H 1 0.0070 0.0000 . 1 . . . . A 7 ILE HD11 . 30223 1 80 . 1 . 1 7 7 ILE HD12 H 1 0.0070 0.0000 . 1 . . . . A 7 ILE HD12 . 30223 1 81 . 1 . 1 7 7 ILE HD13 H 1 0.0070 0.0000 . 1 . . . . A 7 ILE HD13 . 30223 1 82 . 1 . 1 7 7 ILE C C 13 174.7780 0.0000 . 1 . . . . A 7 ILE C . 30223 1 83 . 1 . 1 7 7 ILE CA C 13 59.9650 0.0000 . 1 . . . . A 7 ILE CA . 30223 1 84 . 1 . 1 7 7 ILE CB C 13 38.7410 0.0000 . 1 . . . . A 7 ILE CB . 30223 1 85 . 1 . 1 7 7 ILE CG1 C 13 27.3880 0.0000 . 1 . . . . A 7 ILE CG1 . 30223 1 86 . 1 . 1 7 7 ILE CG2 C 13 17.8040 0.0000 . 1 . . . . A 7 ILE CG2 . 30223 1 87 . 1 . 1 7 7 ILE CD1 C 13 13.6290 0.0000 . 1 . . . . A 7 ILE CD1 . 30223 1 88 . 1 . 1 7 7 ILE N N 15 126.0660 0.0000 . 1 . . . . A 7 ILE N . 30223 1 89 . 1 . 1 8 8 ASN H H 1 8.8960 0.0000 . 1 . . . . A 8 ASN H . 30223 1 90 . 1 . 1 8 8 ASN HA H 1 5.2430 0.0000 . 1 . . . . A 8 ASN HA . 30223 1 91 . 1 . 1 8 8 ASN HB2 H 1 2.9370 0.0000 . 2 . . . . A 8 ASN HB2 . 30223 1 92 . 1 . 1 8 8 ASN HB3 H 1 2.5160 0.0000 . 2 . . . . A 8 ASN HB3 . 30223 1 93 . 1 . 1 8 8 ASN HD21 H 1 7.2280 0.0000 . 2 . . . . A 8 ASN HD21 . 30223 1 94 . 1 . 1 8 8 ASN HD22 H 1 6.8070 0.0000 . 2 . . . . A 8 ASN HD22 . 30223 1 95 . 1 . 1 8 8 ASN C C 13 175.4870 0.0000 . 1 . . . . A 8 ASN C . 30223 1 96 . 1 . 1 8 8 ASN CA C 13 51.0410 0.0000 . 1 . . . . A 8 ASN CA . 30223 1 97 . 1 . 1 8 8 ASN CB C 13 37.9840 0.0000 . 1 . . . . A 8 ASN CB . 30223 1 98 . 1 . 1 8 8 ASN N N 15 128.8540 0.0000 . 1 . . . . A 8 ASN N . 30223 1 99 . 1 . 1 8 8 ASN ND2 N 15 111.3050 0.0000 . 1 . . . . A 8 ASN ND2 . 30223 1 100 . 1 . 1 9 9 GLY H H 1 7.8940 0.0000 . 1 . . . . A 9 GLY H . 30223 1 101 . 1 . 1 9 9 GLY HA2 H 1 4.5160 0.0000 . 2 . . . . A 9 GLY HA2 . 30223 1 102 . 1 . 1 9 9 GLY HA3 H 1 4.1150 0.0000 . 2 . . . . A 9 GLY HA3 . 30223 1 103 . 1 . 1 9 9 GLY C C 13 173.7300 0.0000 . 1 . . . . A 9 GLY C . 30223 1 104 . 1 . 1 9 9 GLY CA C 13 44.7800 0.0000 . 1 . . . . A 9 GLY CA . 30223 1 105 . 1 . 1 9 9 GLY N N 15 110.1820 0.0000 . 1 . . . . A 9 GLY N . 30223 1 106 . 1 . 1 10 10 LYS H H 1 9.2290 0.0000 . 1 . . . . A 10 LYS H . 30223 1 107 . 1 . 1 10 10 LYS HA H 1 4.1130 0.0000 . 1 . . . . A 10 LYS HA . 30223 1 108 . 1 . 1 10 10 LYS HB2 H 1 1.8390 0.0000 . 2 . . . . A 10 LYS HB2 . 30223 1 109 . 1 . 1 10 10 LYS HG2 H 1 1.4450 0.0000 . 2 . . . . A 10 LYS HG2 . 30223 1 110 . 1 . 1 10 10 LYS HD2 H 1 1.6300 0.0000 . 2 . . . . A 10 LYS HD2 . 30223 1 111 . 1 . 1 10 10 LYS HE2 H 1 2.9810 0.0000 . 2 . . . . A 10 LYS HE2 . 30223 1 112 . 1 . 1 10 10 LYS C C 13 178.8940 0.0000 . 1 . . . . A 10 LYS C . 30223 1 113 . 1 . 1 10 10 LYS CA C 13 58.9590 0.0000 . 1 . . . . A 10 LYS CA . 30223 1 114 . 1 . 1 10 10 LYS CB C 13 32.4530 0.0000 . 1 . . . . A 10 LYS CB . 30223 1 115 . 1 . 1 10 10 LYS CG C 13 25.5880 0.0000 . 1 . . . . A 10 LYS CG . 30223 1 116 . 1 . 1 10 10 LYS CD C 13 29.0730 0.0000 . 1 . . . . A 10 LYS CD . 30223 1 117 . 1 . 1 10 10 LYS CE C 13 41.9300 0.0000 . 1 . . . . A 10 LYS CE . 30223 1 118 . 1 . 1 10 10 LYS N N 15 120.7090 0.0000 . 1 . . . . A 10 LYS N . 30223 1 119 . 1 . 1 11 11 THR H H 1 8.8250 0.0000 . 1 . . . . A 11 THR H . 30223 1 120 . 1 . 1 11 11 THR HA H 1 4.3780 0.0000 . 1 . . . . A 11 THR HA . 30223 1 121 . 1 . 1 11 11 THR HB H 1 4.2230 0.0000 . 1 . . . . A 11 THR HB . 30223 1 122 . 1 . 1 11 11 THR HG1 H 1 1.1450 0.0000 . 1 . . . . A 11 THR HG1 . 30223 1 123 . 1 . 1 11 11 THR HG21 H 1 1.1990 0.0000 . 1 . . . . A 11 THR HG21 . 30223 1 124 . 1 . 1 11 11 THR HG22 H 1 1.1990 0.0000 . 1 . . . . A 11 THR HG22 . 30223 1 125 . 1 . 1 11 11 THR HG23 H 1 1.1990 0.0000 . 1 . . . . A 11 THR HG23 . 30223 1 126 . 1 . 1 11 11 THR C C 13 173.8810 0.0000 . 1 . . . . A 11 THR C . 30223 1 127 . 1 . 1 11 11 THR CA C 13 62.0430 0.0000 . 1 . . . . A 11 THR CA . 30223 1 128 . 1 . 1 11 11 THR CB C 13 69.7650 0.0000 . 1 . . . . A 11 THR CB . 30223 1 129 . 1 . 1 11 11 THR CG2 C 13 21.8190 0.0000 . 1 . . . . A 11 THR CG2 . 30223 1 130 . 1 . 1 11 11 THR N N 15 109.5140 0.0000 . 1 . . . . A 11 THR N . 30223 1 131 . 1 . 1 12 12 LEU H H 1 7.6050 0.0000 . 1 . . . . A 12 LEU H . 30223 1 132 . 1 . 1 12 12 LEU HA H 1 4.4640 0.0000 . 1 . . . . A 12 LEU HA . 30223 1 133 . 1 . 1 12 12 LEU HB2 H 1 1.5680 0.0000 . 2 . . . . A 12 LEU HB2 . 30223 1 134 . 1 . 1 12 12 LEU HB3 H 1 1.4810 0.0000 . 2 . . . . A 12 LEU HB3 . 30223 1 135 . 1 . 1 12 12 LEU HG H 1 1.4390 0.0000 . 1 . . . . A 12 LEU HG . 30223 1 136 . 1 . 1 12 12 LEU HD11 H 1 0.8840 0.0000 . 2 . . . . A 12 LEU HD11 . 30223 1 137 . 1 . 1 12 12 LEU HD12 H 1 0.8840 0.0000 . 2 . . . . A 12 LEU HD12 . 30223 1 138 . 1 . 1 12 12 LEU HD13 H 1 0.8840 0.0000 . 2 . . . . A 12 LEU HD13 . 30223 1 139 . 1 . 1 12 12 LEU C C 13 173.7750 0.0000 . 1 . . . . A 12 LEU C . 30223 1 140 . 1 . 1 12 12 LEU CA C 13 55.0260 0.0000 . 1 . . . . A 12 LEU CA . 30223 1 141 . 1 . 1 12 12 LEU CB C 13 43.7990 0.0000 . 1 . . . . A 12 LEU CB . 30223 1 142 . 1 . 1 12 12 LEU CG C 13 27.0680 0.0000 . 1 . . . . A 12 LEU CG . 30223 1 143 . 1 . 1 12 12 LEU CD1 C 13 24.5830 0.0000 . 2 . . . . A 12 LEU CD1 . 30223 1 144 . 1 . 1 12 12 LEU N N 15 125.0570 0.0000 . 1 . . . . A 12 LEU N . 30223 1 145 . 1 . 1 13 13 LYS H H 1 8.0680 0.0000 . 1 . . . . A 13 LYS H . 30223 1 146 . 1 . 1 13 13 LYS HA H 1 5.1520 0.0000 . 1 . . . . A 13 LYS HA . 30223 1 147 . 1 . 1 13 13 LYS HB2 H 1 1.9250 0.0000 . 2 . . . . A 13 LYS HB2 . 30223 1 148 . 1 . 1 13 13 LYS HB3 H 1 1.7610 0.0000 . 2 . . . . A 13 LYS HB3 . 30223 1 149 . 1 . 1 13 13 LYS HG2 H 1 1.4580 0.0000 . 2 . . . . A 13 LYS HG2 . 30223 1 150 . 1 . 1 13 13 LYS HD2 H 1 1.7870 0.0000 . 2 . . . . A 13 LYS HD2 . 30223 1 151 . 1 . 1 13 13 LYS HD3 H 1 1.6960 0.0000 . 2 . . . . A 13 LYS HD3 . 30223 1 152 . 1 . 1 13 13 LYS HE2 H 1 3.0140 0.0000 . 2 . . . . A 13 LYS HE2 . 30223 1 153 . 1 . 1 13 13 LYS HE3 H 1 2.9350 0.0000 . 2 . . . . A 13 LYS HE3 . 30223 1 154 . 1 . 1 13 13 LYS C C 13 176.3290 0.0000 . 1 . . . . A 13 LYS C . 30223 1 155 . 1 . 1 13 13 LYS CA C 13 53.8630 0.0000 . 1 . . . . A 13 LYS CA . 30223 1 156 . 1 . 1 13 13 LYS CB C 13 35.2940 0.0000 . 1 . . . . A 13 LYS CB . 30223 1 157 . 1 . 1 13 13 LYS CG C 13 25.1800 0.0000 . 1 . . . . A 13 LYS CG . 30223 1 158 . 1 . 1 13 13 LYS CD C 13 29.0890 0.0000 . 1 . . . . A 13 LYS CD . 30223 1 159 . 1 . 1 13 13 LYS CE C 13 42.3780 0.0000 . 1 . . . . A 13 LYS CE . 30223 1 160 . 1 . 1 13 13 LYS N N 15 122.2820 0.0000 . 1 . . . . A 13 LYS N . 30223 1 161 . 1 . 1 14 14 GLY H H 1 8.3470 0.0000 . 1 . . . . A 14 GLY H . 30223 1 162 . 1 . 1 14 14 GLY HA2 H 1 4.1980 0.0000 . 2 . . . . A 14 GLY HA2 . 30223 1 163 . 1 . 1 14 14 GLY HA3 H 1 3.7750 0.0000 . 2 . . . . A 14 GLY HA3 . 30223 1 164 . 1 . 1 14 14 GLY C C 13 171.6010 0.0000 . 1 . . . . A 14 GLY C . 30223 1 165 . 1 . 1 14 14 GLY CA C 13 45.0890 0.0000 . 1 . . . . A 14 GLY CA . 30223 1 166 . 1 . 1 14 14 GLY N N 15 109.5810 0.0000 . 1 . . . . A 14 GLY N . 30223 1 167 . 1 . 1 15 15 GLU H H 1 8.4430 0.0000 . 1 . . . . A 15 GLU H . 30223 1 168 . 1 . 1 15 15 GLU HA H 1 5.5430 0.0000 . 1 . . . . A 15 GLU HA . 30223 1 169 . 1 . 1 15 15 GLU HB2 H 1 2.0880 0.0000 . 2 . . . . A 15 GLU HB2 . 30223 1 170 . 1 . 1 15 15 GLU HG2 H 1 2.1800 0.0000 . 2 . . . . A 15 GLU HG2 . 30223 1 171 . 1 . 1 15 15 GLU C C 13 174.8010 0.0000 . 1 . . . . A 15 GLU C . 30223 1 172 . 1 . 1 15 15 GLU CA C 13 54.9390 0.0000 . 1 . . . . A 15 GLU CA . 30223 1 173 . 1 . 1 15 15 GLU CB C 13 33.6340 0.0000 . 1 . . . . A 15 GLU CB . 30223 1 174 . 1 . 1 15 15 GLU CG C 13 36.1540 0.0000 . 1 . . . . A 15 GLU CG . 30223 1 175 . 1 . 1 15 15 GLU N N 15 119.0870 0.0000 . 1 . . . . A 15 GLU N . 30223 1 176 . 1 . 1 16 16 THR H H 1 8.8390 0.0000 . 1 . . . . A 16 THR H . 30223 1 177 . 1 . 1 16 16 THR HA H 1 4.8150 0.0000 . 1 . . . . A 16 THR HA . 30223 1 178 . 1 . 1 16 16 THR HB H 1 4.2250 0.0000 . 1 . . . . A 16 THR HB . 30223 1 179 . 1 . 1 16 16 THR HG21 H 1 1.2110 0.0000 . 1 . . . . A 16 THR HG21 . 30223 1 180 . 1 . 1 16 16 THR HG22 H 1 1.2110 0.0000 . 1 . . . . A 16 THR HG22 . 30223 1 181 . 1 . 1 16 16 THR HG23 H 1 1.2110 0.0000 . 1 . . . . A 16 THR HG23 . 30223 1 182 . 1 . 1 16 16 THR C C 13 172.0150 0.0000 . 1 . . . . A 16 THR C . 30223 1 183 . 1 . 1 16 16 THR CA C 13 60.8810 0.0000 . 1 . . . . A 16 THR CA . 30223 1 184 . 1 . 1 16 16 THR CB C 13 69.7860 0.0000 . 1 . . . . A 16 THR CB . 30223 1 185 . 1 . 1 16 16 THR CG2 C 13 21.6920 0.0000 . 1 . . . . A 16 THR CG2 . 30223 1 186 . 1 . 1 16 16 THR N N 15 116.7310 0.0000 . 1 . . . . A 16 THR N . 30223 1 187 . 1 . 1 17 17 THR H H 1 7.9950 0.0000 . 1 . . . . A 17 THR H . 30223 1 188 . 1 . 1 17 17 THR HA H 1 5.9320 0.0000 . 1 . . . . A 17 THR HA . 30223 1 189 . 1 . 1 17 17 THR HB H 1 4.3430 0.0000 . 1 . . . . A 17 THR HB . 30223 1 190 . 1 . 1 17 17 THR HG21 H 1 1.2350 0.0000 . 1 . . . . A 17 THR HG21 . 30223 1 191 . 1 . 1 17 17 THR HG22 H 1 1.2350 0.0000 . 1 . . . . A 17 THR HG22 . 30223 1 192 . 1 . 1 17 17 THR HG23 H 1 1.2350 0.0000 . 1 . . . . A 17 THR HG23 . 30223 1 193 . 1 . 1 17 17 THR C C 13 174.0300 0.0000 . 1 . . . . A 17 THR C . 30223 1 194 . 1 . 1 17 17 THR CA C 13 59.9460 0.0000 . 1 . . . . A 17 THR CA . 30223 1 195 . 1 . 1 17 17 THR CB C 13 73.0640 0.0000 . 1 . . . . A 17 THR CB . 30223 1 196 . 1 . 1 17 17 THR CG2 C 13 21.3840 0.0000 . 1 . . . . A 17 THR CG2 . 30223 1 197 . 1 . 1 17 17 THR N N 15 113.3300 0.0000 . 1 . . . . A 17 THR N . 30223 1 198 . 1 . 1 18 18 THR H H 1 9.0240 0.0000 . 1 . . . . A 18 THR H . 30223 1 199 . 1 . 1 18 18 THR HA H 1 4.6430 0.0000 . 1 . . . . A 18 THR HA . 30223 1 200 . 1 . 1 18 18 THR HB H 1 3.8040 0.0000 . 1 . . . . A 18 THR HB . 30223 1 201 . 1 . 1 18 18 THR HG21 H 1 0.4620 0.0000 . 1 . . . . A 18 THR HG21 . 30223 1 202 . 1 . 1 18 18 THR HG22 H 1 0.4620 0.0000 . 1 . . . . A 18 THR HG22 . 30223 1 203 . 1 . 1 18 18 THR HG23 H 1 0.4620 0.0000 . 1 . . . . A 18 THR HG23 . 30223 1 204 . 1 . 1 18 18 THR C C 13 171.0730 0.0000 . 1 . . . . A 18 THR C . 30223 1 205 . 1 . 1 18 18 THR CA C 13 62.1970 0.0000 . 1 . . . . A 18 THR CA . 30223 1 206 . 1 . 1 18 18 THR CB C 13 69.8420 0.0000 . 1 . . . . A 18 THR CB . 30223 1 207 . 1 . 1 18 18 THR CG2 C 13 18.3860 0.0000 . 1 . . . . A 18 THR CG2 . 30223 1 208 . 1 . 1 18 18 THR N N 15 115.4430 0.0000 . 1 . . . . A 18 THR N . 30223 1 209 . 1 . 1 19 19 GLU H H 1 7.9500 0.0000 . 1 . . . . A 19 GLU H . 30223 1 210 . 1 . 1 19 19 GLU HA H 1 5.5030 0.0000 . 1 . . . . A 19 GLU HA . 30223 1 211 . 1 . 1 19 19 GLU HB2 H 1 1.8720 0.0000 . 2 . . . . A 19 GLU HB2 . 30223 1 212 . 1 . 1 19 19 GLU HG2 H 1 2.1070 0.0000 . 2 . . . . A 19 GLU HG2 . 30223 1 213 . 1 . 1 19 19 GLU C C 13 176.2460 0.0000 . 1 . . . . A 19 GLU C . 30223 1 214 . 1 . 1 19 19 GLU CA C 13 54.7340 0.0000 . 1 . . . . A 19 GLU CA . 30223 1 215 . 1 . 1 19 19 GLU CB C 13 31.1750 0.0000 . 1 . . . . A 19 GLU CB . 30223 1 216 . 1 . 1 19 19 GLU CG C 13 36.5210 0.0000 . 1 . . . . A 19 GLU CG . 30223 1 217 . 1 . 1 19 19 GLU N N 15 124.5530 0.0000 . 1 . . . . A 19 GLU N . 30223 1 218 . 1 . 1 20 20 ALA H H 1 9.3420 0.0000 . 1 . . . . A 20 ALA H . 30223 1 219 . 1 . 1 20 20 ALA HA H 1 4.9090 0.0000 . 1 . . . . A 20 ALA HA . 30223 1 220 . 1 . 1 20 20 ALA HB1 H 1 1.3130 0.0000 . 1 . . . . A 20 ALA HB1 . 30223 1 221 . 1 . 1 20 20 ALA HB2 H 1 1.3130 0.0000 . 1 . . . . A 20 ALA HB2 . 30223 1 222 . 1 . 1 20 20 ALA HB3 H 1 1.3130 0.0000 . 1 . . . . A 20 ALA HB3 . 30223 1 223 . 1 . 1 20 20 ALA C C 13 177.3280 0.0000 . 1 . . . . A 20 ALA C . 30223 1 224 . 1 . 1 20 20 ALA CA C 13 50.9390 0.0000 . 1 . . . . A 20 ALA CA . 30223 1 225 . 1 . 1 20 20 ALA CB C 13 23.3790 0.0000 . 1 . . . . A 20 ALA CB . 30223 1 226 . 1 . 1 20 20 ALA N N 15 125.2760 0.0000 . 1 . . . . A 20 ALA N . 30223 1 227 . 1 . 1 21 21 VAL H H 1 8.4590 0.0000 . 1 . . . . A 21 VAL H . 30223 1 228 . 1 . 1 21 21 VAL HA H 1 4.1600 0.0000 . 1 . . . . A 21 VAL HA . 30223 1 229 . 1 . 1 21 21 VAL HB H 1 2.1680 0.0000 . 1 . . . . A 21 VAL HB . 30223 1 230 . 1 . 1 21 21 VAL HG11 H 1 0.9670 0.0000 . 2 . . . . A 21 VAL HG11 . 30223 1 231 . 1 . 1 21 21 VAL HG12 H 1 0.9670 0.0000 . 2 . . . . A 21 VAL HG12 . 30223 1 232 . 1 . 1 21 21 VAL HG13 H 1 0.9670 0.0000 . 2 . . . . A 21 VAL HG13 . 30223 1 233 . 1 . 1 21 21 VAL HG21 H 1 0.9670 0.0000 . 2 . . . . A 21 VAL HG21 . 30223 1 234 . 1 . 1 21 21 VAL HG22 H 1 0.9670 0.0000 . 2 . . . . A 21 VAL HG22 . 30223 1 235 . 1 . 1 21 21 VAL HG23 H 1 0.9670 0.0000 . 2 . . . . A 21 VAL HG23 . 30223 1 236 . 1 . 1 21 21 VAL C C 13 174.7780 0.0000 . 1 . . . . A 21 VAL C . 30223 1 237 . 1 . 1 21 21 VAL CA C 13 63.7100 0.0000 . 1 . . . . A 21 VAL CA . 30223 1 238 . 1 . 1 21 21 VAL CB C 13 32.0810 0.0000 . 1 . . . . A 21 VAL CB . 30223 1 239 . 1 . 1 21 21 VAL CG1 C 13 20.0880 0.0000 . 2 . . . . A 21 VAL CG1 . 30223 1 240 . 1 . 1 21 21 VAL CG2 C 13 20.9280 0.0000 . 2 . . . . A 21 VAL CG2 . 30223 1 241 . 1 . 1 21 21 VAL N N 15 114.2730 0.0000 . 1 . . . . A 21 VAL N . 30223 1 242 . 1 . 1 22 22 ASP H H 1 7.2510 0.0000 . 1 . . . . A 22 ASP H . 30223 1 243 . 1 . 1 22 22 ASP HA H 1 4.6720 0.0000 . 1 . . . . A 22 ASP HA . 30223 1 244 . 1 . 1 22 22 ASP HB2 H 1 3.0490 0.0000 . 2 . . . . A 22 ASP HB2 . 30223 1 245 . 1 . 1 22 22 ASP C C 13 174.2330 0.0000 . 1 . . . . A 22 ASP C . 30223 1 246 . 1 . 1 22 22 ASP CA C 13 52.5450 0.0000 . 1 . . . . A 22 ASP CA . 30223 1 247 . 1 . 1 22 22 ASP CB C 13 42.3370 0.0000 . 1 . . . . A 22 ASP CB . 30223 1 248 . 1 . 1 22 22 ASP N N 15 113.5010 0.0000 . 1 . . . . A 22 ASP N . 30223 1 249 . 1 . 1 23 23 ALA H H 1 8.6490 0.0000 . 1 . . . . A 23 ALA H . 30223 1 250 . 1 . 1 23 23 ALA HA H 1 3.1520 0.0000 . 1 . . . . A 23 ALA HA . 30223 1 251 . 1 . 1 23 23 ALA HB1 H 1 1.1410 0.0000 . 1 . . . . A 23 ALA HB1 . 30223 1 252 . 1 . 1 23 23 ALA HB2 H 1 1.1410 0.0000 . 1 . . . . A 23 ALA HB2 . 30223 1 253 . 1 . 1 23 23 ALA HB3 H 1 1.1410 0.0000 . 1 . . . . A 23 ALA HB3 . 30223 1 254 . 1 . 1 23 23 ALA C C 13 179.0580 0.0000 . 1 . . . . A 23 ALA C . 30223 1 255 . 1 . 1 23 23 ALA CA C 13 54.7700 0.0000 . 1 . . . . A 23 ALA CA . 30223 1 256 . 1 . 1 23 23 ALA CB C 13 17.6090 0.0000 . 1 . . . . A 23 ALA CB . 30223 1 257 . 1 . 1 23 23 ALA N N 15 121.9770 0.0000 . 1 . . . . A 23 ALA N . 30223 1 258 . 1 . 1 24 24 ALA H H 1 8.1130 0.0000 . 1 . . . . A 24 ALA H . 30223 1 259 . 1 . 1 24 24 ALA HA H 1 3.9960 0.0000 . 1 . . . . A 24 ALA HA . 30223 1 260 . 1 . 1 24 24 ALA HB1 H 1 1.3010 0.0000 . 1 . . . . A 24 ALA HB1 . 30223 1 261 . 1 . 1 24 24 ALA HB2 H 1 1.3010 0.0000 . 1 . . . . A 24 ALA HB2 . 30223 1 262 . 1 . 1 24 24 ALA HB3 H 1 1.3010 0.0000 . 1 . . . . A 24 ALA HB3 . 30223 1 263 . 1 . 1 24 24 ALA C C 13 180.9200 0.0000 . 1 . . . . A 24 ALA C . 30223 1 264 . 1 . 1 24 24 ALA CA C 13 54.8080 0.0000 . 1 . . . . A 24 ALA CA . 30223 1 265 . 1 . 1 24 24 ALA CB C 13 17.9300 0.0000 . 1 . . . . A 24 ALA CB . 30223 1 266 . 1 . 1 24 24 ALA N N 15 120.7730 0.0000 . 1 . . . . A 24 ALA N . 30223 1 267 . 1 . 1 25 25 THR H H 1 8.2900 0.0000 . 1 . . . . A 25 THR H . 30223 1 268 . 1 . 1 25 25 THR HA H 1 3.7170 0.0000 . 1 . . . . A 25 THR HA . 30223 1 269 . 1 . 1 25 25 THR HB H 1 4.0290 0.0000 . 1 . . . . A 25 THR HB . 30223 1 270 . 1 . 1 25 25 THR HG21 H 1 1.2290 0.0000 . 1 . . . . A 25 THR HG21 . 30223 1 271 . 1 . 1 25 25 THR HG22 H 1 1.2290 0.0000 . 1 . . . . A 25 THR HG22 . 30223 1 272 . 1 . 1 25 25 THR HG23 H 1 1.2290 0.0000 . 1 . . . . A 25 THR HG23 . 30223 1 273 . 1 . 1 25 25 THR C C 13 175.9890 0.0000 . 1 . . . . A 25 THR C . 30223 1 274 . 1 . 1 25 25 THR CA C 13 66.7570 0.0000 . 1 . . . . A 25 THR CA . 30223 1 275 . 1 . 1 25 25 THR CB C 13 67.8610 0.0000 . 1 . . . . A 25 THR CB . 30223 1 276 . 1 . 1 25 25 THR CG2 C 13 21.1300 0.0000 . 1 . . . . A 25 THR CG2 . 30223 1 277 . 1 . 1 25 25 THR N N 15 116.2370 0.0000 . 1 . . . . A 25 THR N . 30223 1 278 . 1 . 1 26 26 ALA H H 1 7.3520 0.0000 . 1 . . . . A 26 ALA H . 30223 1 279 . 1 . 1 26 26 ALA HA H 1 3.1130 0.0000 . 1 . . . . A 26 ALA HA . 30223 1 280 . 1 . 1 26 26 ALA HB1 H 1 0.5590 0.0000 . 1 . . . . A 26 ALA HB1 . 30223 1 281 . 1 . 1 26 26 ALA HB2 H 1 0.5590 0.0000 . 1 . . . . A 26 ALA HB2 . 30223 1 282 . 1 . 1 26 26 ALA HB3 H 1 0.5590 0.0000 . 1 . . . . A 26 ALA HB3 . 30223 1 283 . 1 . 1 26 26 ALA C C 13 177.1100 0.0000 . 1 . . . . A 26 ALA C . 30223 1 284 . 1 . 1 26 26 ALA CA C 13 54.9000 0.0000 . 1 . . . . A 26 ALA CA . 30223 1 285 . 1 . 1 26 26 ALA CB C 13 17.5210 0.0000 . 1 . . . . A 26 ALA CB . 30223 1 286 . 1 . 1 26 26 ALA N N 15 123.6890 0.0000 . 1 . . . . A 26 ALA N . 30223 1 287 . 1 . 1 27 27 GLU H H 1 8.3630 0.0000 . 1 . . . . A 27 GLU H . 30223 1 288 . 1 . 1 27 27 GLU HA H 1 2.8010 0.0000 . 1 . . . . A 27 GLU HA . 30223 1 289 . 1 . 1 27 27 GLU HB2 H 1 2.0190 0.0000 . 2 . . . . A 27 GLU HB2 . 30223 1 290 . 1 . 1 27 27 GLU HB3 H 1 1.8410 0.0000 . 2 . . . . A 27 GLU HB3 . 30223 1 291 . 1 . 1 27 27 GLU HG2 H 1 1.6160 0.0000 . 2 . . . . A 27 GLU HG2 . 30223 1 292 . 1 . 1 27 27 GLU C C 13 177.2720 0.0000 . 1 . . . . A 27 GLU C . 30223 1 293 . 1 . 1 27 27 GLU CA C 13 59.6920 0.0000 . 1 . . . . A 27 GLU CA . 30223 1 294 . 1 . 1 27 27 GLU CB C 13 29.4600 0.0000 . 1 . . . . A 27 GLU CB . 30223 1 295 . 1 . 1 27 27 GLU CG C 13 35.8080 0.0000 . 1 . . . . A 27 GLU CG . 30223 1 296 . 1 . 1 27 27 GLU N N 15 116.6230 0.0000 . 1 . . . . A 27 GLU N . 30223 1 297 . 1 . 1 28 28 LYS H H 1 6.9070 0.0000 . 1 . . . . A 28 LYS H . 30223 1 298 . 1 . 1 28 28 LYS HA H 1 3.7270 0.0000 . 1 . . . . A 28 LYS HA . 30223 1 299 . 1 . 1 28 28 LYS HB2 H 1 1.8390 0.0000 . 2 . . . . A 28 LYS HB2 . 30223 1 300 . 1 . 1 28 28 LYS HG2 H 1 1.5410 0.0000 . 2 . . . . A 28 LYS HG2 . 30223 1 301 . 1 . 1 28 28 LYS HG3 H 1 1.3340 0.0000 . 2 . . . . A 28 LYS HG3 . 30223 1 302 . 1 . 1 28 28 LYS HD2 H 1 1.6220 0.0000 . 2 . . . . A 28 LYS HD2 . 30223 1 303 . 1 . 1 28 28 LYS HE2 H 1 2.8940 0.0000 . 2 . . . . A 28 LYS HE2 . 30223 1 304 . 1 . 1 28 28 LYS C C 13 179.7200 0.0000 . 1 . . . . A 28 LYS C . 30223 1 305 . 1 . 1 28 28 LYS CA C 13 59.4170 0.0000 . 1 . . . . A 28 LYS CA . 30223 1 306 . 1 . 1 28 28 LYS CB C 13 32.2530 0.0000 . 1 . . . . A 28 LYS CB . 30223 1 307 . 1 . 1 28 28 LYS CG C 13 25.1270 0.0000 . 1 . . . . A 28 LYS CG . 30223 1 308 . 1 . 1 28 28 LYS CD C 13 29.1700 0.0000 . 1 . . . . A 28 LYS CD . 30223 1 309 . 1 . 1 28 28 LYS CE C 13 41.8430 0.0000 . 1 . . . . A 28 LYS CE . 30223 1 310 . 1 . 1 28 28 LYS N N 15 116.4760 0.0000 . 1 . . . . A 28 LYS N . 30223 1 311 . 1 . 1 29 29 VAL H H 1 7.4440 0.0000 . 1 . . . . A 29 VAL H . 30223 1 312 . 1 . 1 29 29 VAL HA H 1 3.5630 0.0000 . 1 . . . . A 29 VAL HA . 30223 1 313 . 1 . 1 29 29 VAL HB H 1 1.7270 0.0000 . 1 . . . . A 29 VAL HB . 30223 1 314 . 1 . 1 29 29 VAL HG11 H 1 0.8730 0.0000 . 2 . . . . A 29 VAL HG11 . 30223 1 315 . 1 . 1 29 29 VAL HG12 H 1 0.8730 0.0000 . 2 . . . . A 29 VAL HG12 . 30223 1 316 . 1 . 1 29 29 VAL HG13 H 1 0.8730 0.0000 . 2 . . . . A 29 VAL HG13 . 30223 1 317 . 1 . 1 29 29 VAL HG21 H 1 0.7140 0.0000 . 2 . . . . A 29 VAL HG21 . 30223 1 318 . 1 . 1 29 29 VAL HG22 H 1 0.7140 0.0000 . 2 . . . . A 29 VAL HG22 . 30223 1 319 . 1 . 1 29 29 VAL HG23 H 1 0.7140 0.0000 . 2 . . . . A 29 VAL HG23 . 30223 1 320 . 1 . 1 29 29 VAL C C 13 179.7860 0.0000 . 1 . . . . A 29 VAL C . 30223 1 321 . 1 . 1 29 29 VAL CA C 13 66.2070 0.0000 . 1 . . . . A 29 VAL CA . 30223 1 322 . 1 . 1 29 29 VAL CB C 13 31.5470 0.0000 . 1 . . . . A 29 VAL CB . 30223 1 323 . 1 . 1 29 29 VAL CG1 C 13 21.8060 0.0000 . 2 . . . . A 29 VAL CG1 . 30223 1 324 . 1 . 1 29 29 VAL CG2 C 13 20.4710 0.0000 . 2 . . . . A 29 VAL CG2 . 30223 1 325 . 1 . 1 29 29 VAL N N 15 120.9040 0.0000 . 1 . . . . A 29 VAL N . 30223 1 326 . 1 . 1 30 30 PHE H H 1 8.4530 0.0000 . 1 . . . . A 30 PHE H . 30223 1 327 . 1 . 1 30 30 PHE HA H 1 4.5870 0.0000 . 1 . . . . A 30 PHE HA . 30223 1 328 . 1 . 1 30 30 PHE HB2 H 1 2.6640 0.0000 . 2 . . . . A 30 PHE HB2 . 30223 1 329 . 1 . 1 30 30 PHE HD1 H 1 6.5770 0.0000 . 3 . . . . A 30 PHE HD1 . 30223 1 330 . 1 . 1 30 30 PHE HE1 H 1 7.0650 0.0000 . 3 . . . . A 30 PHE HE1 . 30223 1 331 . 1 . 1 30 30 PHE C C 13 177.8760 0.0000 . 1 . . . . A 30 PHE C . 30223 1 332 . 1 . 1 30 30 PHE CA C 13 58.1550 0.0000 . 1 . . . . A 30 PHE CA . 30223 1 333 . 1 . 1 30 30 PHE CB C 13 37.9360 0.0000 . 1 . . . . A 30 PHE CB . 30223 1 334 . 1 . 1 30 30 PHE CD1 C 13 130.6870 0.0000 . 3 . . . . A 30 PHE CD1 . 30223 1 335 . 1 . 1 30 30 PHE CE1 C 13 130.4150 0.0000 . 3 . . . . A 30 PHE CE1 . 30223 1 336 . 1 . 1 30 30 PHE N N 15 119.8810 0.0000 . 1 . . . . A 30 PHE N . 30223 1 337 . 1 . 1 31 31 LYS H H 1 9.0230 0.0000 . 1 . . . . A 31 LYS H . 30223 1 338 . 1 . 1 31 31 LYS HA H 1 4.0340 0.0000 . 1 . . . . A 31 LYS HA . 30223 1 339 . 1 . 1 31 31 LYS HB2 H 1 1.7050 0.0000 . 2 . . . . A 31 LYS HB2 . 30223 1 340 . 1 . 1 31 31 LYS HB3 H 1 1.6180 0.0000 . 2 . . . . A 31 LYS HB3 . 30223 1 341 . 1 . 1 31 31 LYS HG2 H 1 0.9470 0.0000 . 2 . . . . A 31 LYS HG2 . 30223 1 342 . 1 . 1 31 31 LYS HG3 H 1 0.7560 0.0000 . 2 . . . . A 31 LYS HG3 . 30223 1 343 . 1 . 1 31 31 LYS HD2 H 1 1.2270 0.0000 . 2 . . . . A 31 LYS HD2 . 30223 1 344 . 1 . 1 31 31 LYS HD3 H 1 1.1670 0.0000 . 2 . . . . A 31 LYS HD3 . 30223 1 345 . 1 . 1 31 31 LYS HE2 H 1 2.0550 0.0000 . 2 . . . . A 31 LYS HE2 . 30223 1 346 . 1 . 1 31 31 LYS HE3 H 1 1.9510 0.0000 . 2 . . . . A 31 LYS HE3 . 30223 1 347 . 1 . 1 31 31 LYS C C 13 179.1790 0.0000 . 1 . . . . A 31 LYS C . 30223 1 348 . 1 . 1 31 31 LYS CA C 13 60.2130 0.0000 . 1 . . . . A 31 LYS CA . 30223 1 349 . 1 . 1 31 31 LYS CB C 13 31.9690 0.0000 . 1 . . . . A 31 LYS CB . 30223 1 350 . 1 . 1 31 31 LYS CG C 13 26.2080 0.0000 . 1 . . . . A 31 LYS CG . 30223 1 351 . 1 . 1 31 31 LYS CD C 13 29.1680 0.0000 . 1 . . . . A 31 LYS CD . 30223 1 352 . 1 . 1 31 31 LYS CE C 13 41.2120 0.0000 . 1 . . . . A 31 LYS CE . 30223 1 353 . 1 . 1 31 31 LYS N N 15 121.0170 0.0000 . 1 . . . . A 31 LYS N . 30223 1 354 . 1 . 1 32 32 GLN H H 1 7.5120 0.0000 . 1 . . . . A 32 GLN H . 30223 1 355 . 1 . 1 32 32 GLN HA H 1 4.0420 0.0000 . 1 . . . . A 32 GLN HA . 30223 1 356 . 1 . 1 32 32 GLN HB2 H 1 2.2020 0.0000 . 2 . . . . A 32 GLN HB2 . 30223 1 357 . 1 . 1 32 32 GLN HG2 H 1 2.4090 0.0000 . 2 . . . . A 32 GLN HG2 . 30223 1 358 . 1 . 1 32 32 GLN HE21 H 1 7.8710 0.0000 . 2 . . . . A 32 GLN HE21 . 30223 1 359 . 1 . 1 32 32 GLN HE22 H 1 6.8540 0.0000 . 2 . . . . A 32 GLN HE22 . 30223 1 360 . 1 . 1 32 32 GLN C C 13 177.1700 0.0000 . 1 . . . . A 32 GLN C . 30223 1 361 . 1 . 1 32 32 GLN CA C 13 58.6560 0.0000 . 1 . . . . A 32 GLN CA . 30223 1 362 . 1 . 1 32 32 GLN CB C 13 28.2120 0.0000 . 1 . . . . A 32 GLN CB . 30223 1 363 . 1 . 1 32 32 GLN CG C 13 33.5630 0.0000 . 1 . . . . A 32 GLN CG . 30223 1 364 . 1 . 1 32 32 GLN N N 15 118.6180 0.0000 . 1 . . . . A 32 GLN N . 30223 1 365 . 1 . 1 32 32 GLN NE2 N 15 114.8380 0.0000 . 1 . . . . A 32 GLN NE2 . 30223 1 366 . 1 . 1 33 33 TYR H H 1 7.9290 0.0000 . 1 . . . . A 33 TYR H . 30223 1 367 . 1 . 1 33 33 TYR HA H 1 4.3000 0.0000 . 1 . . . . A 33 TYR HA . 30223 1 368 . 1 . 1 33 33 TYR HB2 H 1 3.2370 0.0000 . 2 . . . . A 33 TYR HB2 . 30223 1 369 . 1 . 1 33 33 TYR HD1 H 1 6.7200 0.0000 . 3 . . . . A 33 TYR HD1 . 30223 1 370 . 1 . 1 33 33 TYR HE1 H 1 6.6110 0.0000 . 3 . . . . A 33 TYR HE1 . 30223 1 371 . 1 . 1 33 33 TYR C C 13 178.7450 0.0000 . 1 . . . . A 33 TYR C . 30223 1 372 . 1 . 1 33 33 TYR CA C 13 61.5070 0.0000 . 1 . . . . A 33 TYR CA . 30223 1 373 . 1 . 1 33 33 TYR CB C 13 38.1400 0.0000 . 1 . . . . A 33 TYR CB . 30223 1 374 . 1 . 1 33 33 TYR CD1 C 13 132.9160 0.0000 . 3 . . . . A 33 TYR CD1 . 30223 1 375 . 1 . 1 33 33 TYR CE1 C 13 118.0710 0.0000 . 3 . . . . A 33 TYR CE1 . 30223 1 376 . 1 . 1 33 33 TYR N N 15 120.5960 0.0000 . 1 . . . . A 33 TYR N . 30223 1 377 . 1 . 1 34 34 PHE H H 1 9.0830 0.0000 . 1 . . . . A 34 PHE H . 30223 1 378 . 1 . 1 34 34 PHE HB2 H 1 3.5330 0.0000 . 2 . . . . A 34 PHE HB2 . 30223 1 379 . 1 . 1 34 34 PHE HD1 H 1 7.2440 0.0000 . 3 . . . . A 34 PHE HD1 . 30223 1 380 . 1 . 1 34 34 PHE HE1 H 1 7.0640 0.0000 . 3 . . . . A 34 PHE HE1 . 30223 1 381 . 1 . 1 34 34 PHE C C 13 178.3370 0.0000 . 1 . . . . A 34 PHE C . 30223 1 382 . 1 . 1 34 34 PHE CA C 13 61.5890 0.0000 . 1 . . . . A 34 PHE CA . 30223 1 383 . 1 . 1 34 34 PHE CB C 13 37.4020 0.0000 . 1 . . . . A 34 PHE CB . 30223 1 384 . 1 . 1 34 34 PHE CD1 C 13 130.4130 0.0000 . 3 . . . . A 34 PHE CD1 . 30223 1 385 . 1 . 1 34 34 PHE CE1 C 13 131.3480 0.0000 . 3 . . . . A 34 PHE CE1 . 30223 1 386 . 1 . 1 34 34 PHE N N 15 119.7300 0.0000 . 1 . . . . A 34 PHE N . 30223 1 387 . 1 . 1 35 35 ASN H H 1 8.5510 0.0000 . 1 . . . . A 35 ASN H . 30223 1 388 . 1 . 1 35 35 ASN HA H 1 4.5550 0.0000 . 1 . . . . A 35 ASN HA . 30223 1 389 . 1 . 1 35 35 ASN HB2 H 1 2.9210 0.0000 . 2 . . . . A 35 ASN HB2 . 30223 1 390 . 1 . 1 35 35 ASN HD21 H 1 7.6810 0.0000 . 2 . . . . A 35 ASN HD21 . 30223 1 391 . 1 . 1 35 35 ASN HD22 H 1 6.9690 0.0000 . 2 . . . . A 35 ASN HD22 . 30223 1 392 . 1 . 1 35 35 ASN C C 13 178.9440 0.0000 . 1 . . . . A 35 ASN C . 30223 1 393 . 1 . 1 35 35 ASN CA C 13 56.7480 0.0000 . 1 . . . . A 35 ASN CA . 30223 1 394 . 1 . 1 35 35 ASN CB C 13 38.8060 0.0000 . 1 . . . . A 35 ASN CB . 30223 1 395 . 1 . 1 35 35 ASN N N 15 119.7090 0.0000 . 1 . . . . A 35 ASN N . 30223 1 396 . 1 . 1 35 35 ASN ND2 N 15 111.9720 0.0000 . 1 . . . . A 35 ASN ND2 . 30223 1 397 . 1 . 1 36 36 ASP H H 1 8.7290 0.0000 . 1 . . . . A 36 ASP H . 30223 1 398 . 1 . 1 36 36 ASP HA H 1 4.4390 0.0000 . 1 . . . . A 36 ASP HA . 30223 1 399 . 1 . 1 36 36 ASP HB2 H 1 2.7730 0.0000 . 2 . . . . A 36 ASP HB2 . 30223 1 400 . 1 . 1 36 36 ASP C C 13 177.0930 0.0000 . 1 . . . . A 36 ASP C . 30223 1 401 . 1 . 1 36 36 ASP CA C 13 56.6940 0.0000 . 1 . . . . A 36 ASP CA . 30223 1 402 . 1 . 1 36 36 ASP CB C 13 40.1650 0.0000 . 1 . . . . A 36 ASP CB . 30223 1 403 . 1 . 1 36 36 ASP N N 15 120.9510 0.0000 . 1 . . . . A 36 ASP N . 30223 1 404 . 1 . 1 37 37 ASN H H 1 7.4230 0.0000 . 1 . . . . A 37 ASN H . 30223 1 405 . 1 . 1 37 37 ASN HA H 1 4.6900 0.0000 . 1 . . . . A 37 ASN HA . 30223 1 406 . 1 . 1 37 37 ASN HB2 H 1 3.4540 0.0000 . 2 . . . . A 37 ASN HB2 . 30223 1 407 . 1 . 1 37 37 ASN HD21 H 1 6.7370 0.0000 . 2 . . . . A 37 ASN HD21 . 30223 1 408 . 1 . 1 37 37 ASN HD22 H 1 6.4810 0.0000 . 2 . . . . A 37 ASN HD22 . 30223 1 409 . 1 . 1 37 37 ASN C C 13 174.3330 0.0000 . 1 . . . . A 37 ASN C . 30223 1 410 . 1 . 1 37 37 ASN CA C 13 53.7880 0.0000 . 1 . . . . A 37 ASN CA . 30223 1 411 . 1 . 1 37 37 ASN CB C 13 39.9940 0.0000 . 1 . . . . A 37 ASN CB . 30223 1 412 . 1 . 1 37 37 ASN N N 15 115.5710 0.0000 . 1 . . . . A 37 ASN N . 30223 1 413 . 1 . 1 37 37 ASN ND2 N 15 114.3220 0.0000 . 1 . . . . A 37 ASN ND2 . 30223 1 414 . 1 . 1 38 38 GLY H H 1 7.8380 0.0000 . 1 . . . . A 38 GLY H . 30223 1 415 . 1 . 1 38 38 GLY HA2 H 1 3.9330 0.0000 . 2 . . . . A 38 GLY HA2 . 30223 1 416 . 1 . 1 38 38 GLY C C 13 173.9750 0.0000 . 1 . . . . A 38 GLY C . 30223 1 417 . 1 . 1 38 38 GLY CA C 13 46.7650 0.0000 . 1 . . . . A 38 GLY CA . 30223 1 418 . 1 . 1 38 38 GLY N N 15 108.5490 0.0000 . 1 . . . . A 38 GLY N . 30223 1 419 . 1 . 1 39 39 LEU H H 1 8.0750 0.0000 . 1 . . . . A 39 LEU H . 30223 1 420 . 1 . 1 39 39 LEU HA H 1 4.5610 0.0000 . 1 . . . . A 39 LEU HA . 30223 1 421 . 1 . 1 39 39 LEU HB2 H 1 1.3680 0.0000 . 2 . . . . A 39 LEU HB2 . 30223 1 422 . 1 . 1 39 39 LEU HG H 1 1.3360 0.0000 . 1 . . . . A 39 LEU HG . 30223 1 423 . 1 . 1 39 39 LEU HD11 H 1 1.2480 0.0000 . 2 . . . . A 39 LEU HD11 . 30223 1 424 . 1 . 1 39 39 LEU HD12 H 1 1.2480 0.0000 . 2 . . . . A 39 LEU HD12 . 30223 1 425 . 1 . 1 39 39 LEU HD13 H 1 1.2480 0.0000 . 2 . . . . A 39 LEU HD13 . 30223 1 426 . 1 . 1 39 39 LEU C C 13 175.0860 0.0000 . 1 . . . . A 39 LEU C . 30223 1 427 . 1 . 1 39 39 LEU CA C 13 54.1310 0.0000 . 1 . . . . A 39 LEU CA . 30223 1 428 . 1 . 1 39 39 LEU CB C 13 44.3210 0.0000 . 1 . . . . A 39 LEU CB . 30223 1 429 . 1 . 1 39 39 LEU CG C 13 27.2480 0.0000 . 1 . . . . A 39 LEU CG . 30223 1 430 . 1 . 1 39 39 LEU CD1 C 13 24.3970 0.0000 . 2 . . . . A 39 LEU CD1 . 30223 1 431 . 1 . 1 39 39 LEU N N 15 121.4610 0.0000 . 1 . . . . A 39 LEU N . 30223 1 432 . 1 . 1 40 40 ASP H H 1 8.5010 0.0000 . 1 . . . . A 40 ASP H . 30223 1 433 . 1 . 1 40 40 ASP HA H 1 4.1650 0.0000 . 1 . . . . A 40 ASP HA . 30223 1 434 . 1 . 1 40 40 ASP HB2 H 1 3.5150 0.0000 . 2 . . . . A 40 ASP HB2 . 30223 1 435 . 1 . 1 40 40 ASP C C 13 174.5620 0.0000 . 1 . . . . A 40 ASP C . 30223 1 436 . 1 . 1 40 40 ASP CA C 13 53.316 0.0000 . 1 . . . . A 40 ASP CA . 30223 1 437 . 1 . 1 40 40 ASP CB C 13 43.1980 0.0000 . 1 . . . . A 40 ASP CB . 30223 1 438 . 1 . 1 40 40 ASP N N 15 122.9190 0.0000 . 1 . . . . A 40 ASP N . 30223 1 439 . 1 . 1 41 41 GLY H H 1 8.2160 0.0000 . 1 . . . . A 41 GLY H . 30223 1 440 . 1 . 1 41 41 GLY HA2 H 1 4.1450 0.0000 . 2 . . . . A 41 GLY HA2 . 30223 1 441 . 1 . 1 41 41 GLY HA3 H 1 3.6670 0.0000 . 2 . . . . A 41 GLY HA3 . 30223 1 442 . 1 . 1 41 41 GLY C C 13 171.9500 0.0000 . 1 . . . . A 41 GLY C . 30223 1 443 . 1 . 1 41 41 GLY CA C 13 45.0630 0.0000 . 1 . . . . A 41 GLY CA . 30223 1 444 . 1 . 1 41 41 GLY N N 15 106.4850 0.0000 . 1 . . . . A 41 GLY N . 30223 1 445 . 1 . 1 42 42 GLU H H 1 8.3360 0.0000 . 1 . . . . A 42 GLU H . 30223 1 446 . 1 . 1 42 42 GLU HA H 1 4.3360 0.0000 . 1 . . . . A 42 GLU HA . 30223 1 447 . 1 . 1 42 42 GLU HB2 H 1 2.4480 0.0000 . 2 . . . . A 42 GLU HB2 . 30223 1 448 . 1 . 1 42 42 GLU HB3 H 1 2.3840 0.0000 . 2 . . . . A 42 GLU HB3 . 30223 1 449 . 1 . 1 42 42 GLU HG2 H 1 1.9180 0.0000 . 2 . . . . A 42 GLU HG2 . 30223 1 450 . 1 . 1 42 42 GLU HG3 H 1 1.8350 0.0000 . 2 . . . . A 42 GLU HG3 . 30223 1 451 . 1 . 1 42 42 GLU C C 13 176.7530 0.0000 . 1 . . . . A 42 GLU C . 30223 1 452 . 1 . 1 42 42 GLU CA C 13 56.0610 0.0000 . 1 . . . . A 42 GLU CA . 30223 1 453 . 1 . 1 42 42 GLU CB C 13 31.1110 0.0000 . 1 . . . . A 42 GLU CB . 30223 1 454 . 1 . 1 42 42 GLU CG C 13 34.3470 0.0000 . 1 . . . . A 42 GLU CG . 30223 1 455 . 1 . 1 42 42 GLU N N 15 120.0310 0.0000 . 1 . . . . A 42 GLU N . 30223 1 456 . 1 . 1 43 43 TRP H H 1 9.1500 0.0000 . 1 . . . . A 43 TRP H . 30223 1 457 . 1 . 1 43 43 TRP HA H 1 5.1610 0.0000 . 1 . . . . A 43 TRP HA . 30223 1 458 . 1 . 1 43 43 TRP HB2 H 1 3.2540 0.0000 . 2 . . . . A 43 TRP HB2 . 30223 1 459 . 1 . 1 43 43 TRP HB3 H 1 3.1860 0.0000 . 2 . . . . A 43 TRP HB3 . 30223 1 460 . 1 . 1 43 43 TRP HD1 H 1 7.4970 0.0000 . 1 . . . . A 43 TRP HD1 . 30223 1 461 . 1 . 1 43 43 TRP HE1 H 1 10.4550 0.0000 . 1 . . . . A 43 TRP HE1 . 30223 1 462 . 1 . 1 43 43 TRP HE3 H 1 7.4780 0.0000 . 1 . . . . A 43 TRP HE3 . 30223 1 463 . 1 . 1 43 43 TRP HZ2 H 1 7.1180 0.0000 . 1 . . . . A 43 TRP HZ2 . 30223 1 464 . 1 . 1 43 43 TRP HZ3 H 1 6.5800 0.0000 . 1 . . . . A 43 TRP HZ3 . 30223 1 465 . 1 . 1 43 43 TRP HH2 H 1 6.3720 0.0000 . 1 . . . . A 43 TRP HH2 . 30223 1 466 . 1 . 1 43 43 TRP C C 13 176.9360 0.0000 . 1 . . . . A 43 TRP C . 30223 1 467 . 1 . 1 43 43 TRP CA C 13 57.7310 0.0000 . 1 . . . . A 43 TRP CA . 30223 1 468 . 1 . 1 43 43 TRP CB C 13 30.0580 0.0000 . 1 . . . . A 43 TRP CB . 30223 1 469 . 1 . 1 43 43 TRP CD1 C 13 126.8170 0.0000 . 1 . . . . A 43 TRP CD1 . 30223 1 470 . 1 . 1 43 43 TRP CE3 C 13 119.5970 0.0000 . 1 . . . . A 43 TRP CE3 . 30223 1 471 . 1 . 1 43 43 TRP CZ2 C 13 114.1500 0.0000 . 1 . . . . A 43 TRP CZ2 . 30223 1 472 . 1 . 1 43 43 TRP CZ3 C 13 123.4150 0.0000 . 1 . . . . A 43 TRP CZ3 . 30223 1 473 . 1 . 1 43 43 TRP CH2 C 13 120.0540 0.0000 . 1 . . . . A 43 TRP CH2 . 30223 1 474 . 1 . 1 43 43 TRP N N 15 127.2060 0.0000 . 1 . . . . A 43 TRP N . 30223 1 475 . 1 . 1 43 43 TRP NE1 N 15 130.9500 0.0000 . 1 . . . . A 43 TRP NE1 . 30223 1 476 . 1 . 1 44 44 THR H H 1 9.1070 0.0000 . 1 . . . . A 44 THR H . 30223 1 477 . 1 . 1 44 44 THR HA H 1 4.8260 0.0000 . 1 . . . . A 44 THR HA . 30223 1 478 . 1 . 1 44 44 THR HB H 1 4.2630 0.0000 . 1 . . . . A 44 THR HB . 30223 1 479 . 1 . 1 44 44 THR HG21 H 1 1.2390 0.0000 . 1 . . . . A 44 THR HG21 . 30223 1 480 . 1 . 1 44 44 THR HG22 H 1 1.2390 0.0000 . 1 . . . . A 44 THR HG22 . 30223 1 481 . 1 . 1 44 44 THR HG23 H 1 1.2390 0.0000 . 1 . . . . A 44 THR HG23 . 30223 1 482 . 1 . 1 44 44 THR C C 13 172.8360 0.0000 . 1 . . . . A 44 THR C . 30223 1 483 . 1 . 1 44 44 THR CA C 13 60.7440 0.0000 . 1 . . . . A 44 THR CA . 30223 1 484 . 1 . 1 44 44 THR CB C 13 71.7840 0.0000 . 1 . . . . A 44 THR CB . 30223 1 485 . 1 . 1 44 44 THR CG2 C 13 21.9010 0.0000 . 1 . . . . A 44 THR CG2 . 30223 1 486 . 1 . 1 44 44 THR N N 15 115.3180 0.0000 . 1 . . . . A 44 THR N . 30223 1 487 . 1 . 1 45 45 TYR H H 1 8.7150 0.0000 . 1 . . . . A 45 TYR H . 30223 1 488 . 1 . 1 45 45 TYR HA H 1 4.9440 0.0000 . 1 . . . . A 45 TYR HA . 30223 1 489 . 1 . 1 45 45 TYR HB2 H 1 2.9430 0.0000 . 2 . . . . A 45 TYR HB2 . 30223 1 490 . 1 . 1 45 45 TYR HB3 H 1 2.5770 0.0000 . 2 . . . . A 45 TYR HB3 . 30223 1 491 . 1 . 1 45 45 TYR HD1 H 1 7.7810 0.0000 . 3 . . . . A 45 TYR HD1 . 30223 1 492 . 1 . 1 45 45 TYR HE1 H 1 6.8410 0.0000 . 3 . . . . A 45 TYR HE1 . 30223 1 493 . 1 . 1 45 45 TYR C C 13 173.2500 0.0000 . 1 . . . . A 45 TYR C . 30223 1 494 . 1 . 1 45 45 TYR CA C 13 57.0380 0.0000 . 1 . . . . A 45 TYR CA . 30223 1 495 . 1 . 1 45 45 TYR CB C 13 41.5500 0.0000 . 1 . . . . A 45 TYR CB . 30223 1 496 . 1 . 1 45 45 TYR CD1 C 13 132.6650 0.0000 . 3 . . . . A 45 TYR CD1 . 30223 1 497 . 1 . 1 45 45 TYR CE1 C 13 117.3380 0.0000 . 3 . . . . A 45 TYR CE1 . 30223 1 498 . 1 . 1 45 45 TYR N N 15 122.0240 0.0000 . 1 . . . . A 45 TYR N . 30223 1 499 . 1 . 1 46 46 ASP H H 1 7.5640 0.0000 . 1 . . . . A 46 ASP H . 30223 1 500 . 1 . 1 46 46 ASP HA H 1 4.5930 0.0000 . 1 . . . . A 46 ASP HA . 30223 1 501 . 1 . 1 46 46 ASP HB2 H 1 2.6080 0.0000 . 2 . . . . A 46 ASP HB2 . 30223 1 502 . 1 . 1 46 46 ASP HB3 H 1 2.2650 0.0000 . 2 . . . . A 46 ASP HB3 . 30223 1 503 . 1 . 1 46 46 ASP C C 13 174.4810 0.0000 . 1 . . . . A 46 ASP C . 30223 1 504 . 1 . 1 46 46 ASP CA C 13 51.9010 0.0000 . 1 . . . . A 46 ASP CA . 30223 1 505 . 1 . 1 46 46 ASP CB C 13 43.0950 0.0000 . 1 . . . . A 46 ASP CB . 30223 1 506 . 1 . 1 46 46 ASP N N 15 128.4860 0.0000 . 1 . . . . A 46 ASP N . 30223 1 507 . 1 . 1 47 47 ASP H H 1 8.5320 0.0000 . 1 . . . . A 47 ASP H . 30223 1 508 . 1 . 1 47 47 ASP HA H 1 4.1400 0.0000 . 1 . . . . A 47 ASP HA . 30223 1 509 . 1 . 1 47 47 ASP HB2 H 1 2.8180 0.0000 . 2 . . . . A 47 ASP HB2 . 30223 1 510 . 1 . 1 47 47 ASP HB3 H 1 2.5200 0.0000 . 2 . . . . A 47 ASP HB3 . 30223 1 511 . 1 . 1 47 47 ASP C C 13 178.0540 0.0000 . 1 . . . . A 47 ASP C . 30223 1 512 . 1 . 1 47 47 ASP CA C 13 56.1400 0.0000 . 1 . . . . A 47 ASP CA . 30223 1 513 . 1 . 1 47 47 ASP CB C 13 42.0860 0.0000 . 1 . . . . A 47 ASP CB . 30223 1 514 . 1 . 1 47 47 ASP N N 15 124.9990 0.0000 . 1 . . . . A 47 ASP N . 30223 1 515 . 1 . 1 48 48 ALA H H 1 8.2900 0.0000 . 1 . . . . A 48 ALA H . 30223 1 516 . 1 . 1 48 48 ALA HA H 1 4.0980 0.0000 . 1 . . . . A 48 ALA HA . 30223 1 517 . 1 . 1 48 48 ALA HB1 H 1 1.4960 0.0000 . 1 . . . . A 48 ALA HB1 . 30223 1 518 . 1 . 1 48 48 ALA HB2 H 1 1.4960 0.0000 . 1 . . . . A 48 ALA HB2 . 30223 1 519 . 1 . 1 48 48 ALA HB3 H 1 1.4960 0.0000 . 1 . . . . A 48 ALA HB3 . 30223 1 520 . 1 . 1 48 48 ALA C C 13 179.8520 0.0000 . 1 . . . . A 48 ALA C . 30223 1 521 . 1 . 1 48 48 ALA CA C 13 55.0160 0.0000 . 1 . . . . A 48 ALA CA . 30223 1 522 . 1 . 1 48 48 ALA CB C 13 18.3240 0.0000 . 1 . . . . A 48 ALA CB . 30223 1 523 . 1 . 1 48 48 ALA N N 15 119.7480 0.0000 . 1 . . . . A 48 ALA N . 30223 1 524 . 1 . 1 49 49 THR H H 1 6.9830 0.0000 . 1 . . . . A 49 THR H . 30223 1 525 . 1 . 1 49 49 THR HA H 1 4.3920 0.0000 . 1 . . . . A 49 THR HA . 30223 1 526 . 1 . 1 49 49 THR HB H 1 4.4000 0.0000 . 1 . . . . A 49 THR HB . 30223 1 527 . 1 . 1 49 49 THR HG21 H 1 1.0830 0.0000 . 1 . . . . A 49 THR HG21 . 30223 1 528 . 1 . 1 49 49 THR HG22 H 1 1.0830 0.0000 . 1 . . . . A 49 THR HG22 . 30223 1 529 . 1 . 1 49 49 THR HG23 H 1 1.0830 0.0000 . 1 . . . . A 49 THR HG23 . 30223 1 530 . 1 . 1 49 49 THR C C 13 175.3970 0.0000 . 1 . . . . A 49 THR C . 30223 1 531 . 1 . 1 49 49 THR CA C 13 60.3460 0.0000 . 1 . . . . A 49 THR CA . 30223 1 532 . 1 . 1 49 49 THR CB C 13 70.0760 0.0000 . 1 . . . . A 49 THR CB . 30223 1 533 . 1 . 1 49 49 THR CG2 C 13 21.1350 0.0000 . 1 . . . . A 49 THR CG2 . 30223 1 534 . 1 . 1 49 49 THR N N 15 103.1930 0.0000 . 1 . . . . A 49 THR N . 30223 1 535 . 1 . 1 50 50 LYS H H 1 7.8390 0.0000 . 1 . . . . A 50 LYS H . 30223 1 536 . 1 . 1 50 50 LYS HA H 1 4.2100 0.0000 . 1 . . . . A 50 LYS HA . 30223 1 537 . 1 . 1 50 50 LYS HB2 H 1 1.9700 0.0000 . 2 . . . . A 50 LYS HB2 . 30223 1 538 . 1 . 1 50 50 LYS HB3 H 1 1.9650 0.0000 . 2 . . . . A 50 LYS HB3 . 30223 1 539 . 1 . 1 50 50 LYS HG2 H 1 1.2050 0.0000 . 2 . . . . A 50 LYS HG2 . 30223 1 540 . 1 . 1 50 50 LYS HD2 H 1 1.4850 0.0000 . 2 . . . . A 50 LYS HD2 . 30223 1 541 . 1 . 1 50 50 LYS HD3 H 1 1.3290 0.0000 . 2 . . . . A 50 LYS HD3 . 30223 1 542 . 1 . 1 50 50 LYS HE2 H 1 2.9820 0.0000 . 2 . . . . A 50 LYS HE2 . 30223 1 543 . 1 . 1 50 50 LYS HE3 H 1 2.9240 0.0000 . 2 . . . . A 50 LYS HE3 . 30223 1 544 . 1 . 1 50 50 LYS C C 13 174.9240 0.0000 . 1 . . . . A 50 LYS C . 30223 1 545 . 1 . 1 50 50 LYS CA C 13 56.7250 0.0000 . 1 . . . . A 50 LYS CA . 30223 1 546 . 1 . 1 50 50 LYS CB C 13 29.3190 0.0000 . 1 . . . . A 50 LYS CB . 30223 1 547 . 1 . 1 50 50 LYS CG C 13 24.5930 0.0000 . 1 . . . . A 50 LYS CG . 30223 1 548 . 1 . 1 50 50 LYS CD C 13 28.3440 0.0000 . 1 . . . . A 50 LYS CD . 30223 1 549 . 1 . 1 50 50 LYS CE C 13 42.6530 0.0000 . 1 . . . . A 50 LYS CE . 30223 1 550 . 1 . 1 50 50 LYS N N 15 123.8050 0.0000 . 1 . . . . A 50 LYS N . 30223 1 551 . 1 . 1 51 51 THR H H 1 7.3090 0.0000 . 1 . . . . A 51 THR H . 30223 1 552 . 1 . 1 51 51 THR HA H 1 5.6210 0.0000 . 1 . . . . A 51 THR HA . 30223 1 553 . 1 . 1 51 51 THR HB H 1 3.8050 0.0000 . 1 . . . . A 51 THR HB . 30223 1 554 . 1 . 1 51 51 THR HG21 H 1 1.0290 0.0000 . 1 . . . . A 51 THR HG21 . 30223 1 555 . 1 . 1 51 51 THR HG22 H 1 1.0290 0.0000 . 1 . . . . A 51 THR HG22 . 30223 1 556 . 1 . 1 51 51 THR HG23 H 1 1.0290 0.0000 . 1 . . . . A 51 THR HG23 . 30223 1 557 . 1 . 1 51 51 THR C C 13 174.9140 0.0000 . 1 . . . . A 51 THR C . 30223 1 558 . 1 . 1 51 51 THR CA C 13 61.8770 0.0000 . 1 . . . . A 51 THR CA . 30223 1 559 . 1 . 1 51 51 THR CB C 13 72.3110 0.0000 . 1 . . . . A 51 THR CB . 30223 1 560 . 1 . 1 51 51 THR CG2 C 13 20.9180 0.0000 . 1 . . . . A 51 THR CG2 . 30223 1 561 . 1 . 1 51 51 THR N N 15 110.8470 0.0000 . 1 . . . . A 51 THR N . 30223 1 562 . 1 . 1 52 52 PHE H H 1 10.2590 0.0000 . 1 . . . . A 52 PHE H . 30223 1 563 . 1 . 1 52 52 PHE HA H 1 5.7130 0.0000 . 1 . . . . A 52 PHE HA . 30223 1 564 . 1 . 1 52 52 PHE HB2 H 1 3.1080 0.0000 . 2 . . . . A 52 PHE HB2 . 30223 1 565 . 1 . 1 52 52 PHE HB3 H 1 3.0070 0.0000 . 2 . . . . A 52 PHE HB3 . 30223 1 566 . 1 . 1 52 52 PHE HD1 H 1 7.7600 0.0000 . 3 . . . . A 52 PHE HD1 . 30223 1 567 . 1 . 1 52 52 PHE HE1 H 1 7.2220 0.0000 . 3 . . . . A 52 PHE HE1 . 30223 1 568 . 1 . 1 52 52 PHE C C 13 174.9980 0.0000 . 1 . . . . A 52 PHE C . 30223 1 569 . 1 . 1 52 52 PHE CA C 13 57.1610 0.0000 . 1 . . . . A 52 PHE CA . 30223 1 570 . 1 . 1 52 52 PHE CB C 13 41.5420 0.0000 . 1 . . . . A 52 PHE CB . 30223 1 571 . 1 . 1 52 52 PHE CD1 C 13 132.7270 0.0000 . 3 . . . . A 52 PHE CD1 . 30223 1 572 . 1 . 1 52 52 PHE CE1 C 13 131.2290 0.0000 . 3 . . . . A 52 PHE CE1 . 30223 1 573 . 1 . 1 52 52 PHE N N 15 130.6180 0.0000 . 1 . . . . A 52 PHE N . 30223 1 574 . 1 . 1 53 53 THR H H 1 9.1210 0.0000 . 1 . . . . A 53 THR H . 30223 1 575 . 1 . 1 53 53 THR HA H 1 4.9660 0.0000 . 1 . . . . A 53 THR HA . 30223 1 576 . 1 . 1 53 53 THR HB H 1 3.8420 0.0000 . 1 . . . . A 53 THR HB . 30223 1 577 . 1 . 1 53 53 THR HG21 H 1 0.9930 0.0000 . 1 . . . . A 53 THR HG21 . 30223 1 578 . 1 . 1 53 53 THR HG22 H 1 0.9930 0.0000 . 1 . . . . A 53 THR HG22 . 30223 1 579 . 1 . 1 53 53 THR HG23 H 1 0.9930 0.0000 . 1 . . . . A 53 THR HG23 . 30223 1 580 . 1 . 1 53 53 THR C C 13 172.9110 0.0000 . 1 . . . . A 53 THR C . 30223 1 581 . 1 . 1 53 53 THR CA C 13 62.2980 0.0000 . 1 . . . . A 53 THR CA . 30223 1 582 . 1 . 1 53 53 THR CB C 13 70.4420 0.0000 . 1 . . . . A 53 THR CB . 30223 1 583 . 1 . 1 53 53 THR CG2 C 13 20.7090 0.0000 . 1 . . . . A 53 THR CG2 . 30223 1 584 . 1 . 1 53 53 THR N N 15 118.7300 0.0000 . 1 . . . . A 53 THR N . 30223 1 585 . 1 . 1 54 54 VAL H H 1 8.5030 0.0000 . 1 . . . . A 54 VAL H . 30223 1 586 . 1 . 1 54 54 VAL HA H 1 4.3720 0.0000 . 1 . . . . A 54 VAL HA . 30223 1 587 . 1 . 1 54 54 VAL HB H 1 0.8180 0.0000 . 1 . . . . A 54 VAL HB . 30223 1 588 . 1 . 1 54 54 VAL HG11 H 1 -0.1520 0.0000 . 2 . . . . A 54 VAL HG11 . 30223 1 589 . 1 . 1 54 54 VAL HG12 H 1 -0.1520 0.0000 . 2 . . . . A 54 VAL HG12 . 30223 1 590 . 1 . 1 54 54 VAL HG13 H 1 -0.1520 0.0000 . 2 . . . . A 54 VAL HG13 . 30223 1 591 . 1 . 1 54 54 VAL HG21 H 1 -0.8350 0.0000 . 2 . . . . A 54 VAL HG21 . 30223 1 592 . 1 . 1 54 54 VAL HG22 H 1 -0.8350 0.0000 . 2 . . . . A 54 VAL HG22 . 30223 1 593 . 1 . 1 54 54 VAL HG23 H 1 -0.8350 0.0000 . 2 . . . . A 54 VAL HG23 . 30223 1 594 . 1 . 1 54 54 VAL C C 13 174.5850 0.0000 . 1 . . . . A 54 VAL C . 30223 1 595 . 1 . 1 54 54 VAL CA C 13 59.7870 0.0000 . 1 . . . . A 54 VAL CA . 30223 1 596 . 1 . 1 54 54 VAL CB C 13 32.2860 0.0000 . 1 . . . . A 54 VAL CB . 30223 1 597 . 1 . 1 54 54 VAL CG1 C 13 19.6360 0.0000 . 2 . . . . A 54 VAL CG1 . 30223 1 598 . 1 . 1 54 54 VAL CG2 C 13 18.7680 0.0000 . 2 . . . . A 54 VAL CG2 . 30223 1 599 . 1 . 1 54 54 VAL N N 15 127.2720 0.0000 . 1 . . . . A 54 VAL N . 30223 1 600 . 1 . 1 55 55 THR H H 1 8.5540 0.0000 . 1 . . . . A 55 THR H . 30223 1 601 . 1 . 1 55 55 THR HA H 1 4.7280 0.0000 . 1 . . . . A 55 THR HA . 30223 1 602 . 1 . 1 55 55 THR HB H 1 3.9770 0.0000 . 1 . . . . A 55 THR HB . 30223 1 603 . 1 . 1 55 55 THR HG21 H 1 1.2520 0.0000 . 1 . . . . A 55 THR HG21 . 30223 1 604 . 1 . 1 55 55 THR HG22 H 1 1.2520 0.0000 . 1 . . . . A 55 THR HG22 . 30223 1 605 . 1 . 1 55 55 THR HG23 H 1 1.2520 0.0000 . 1 . . . . A 55 THR HG23 . 30223 1 606 . 1 . 1 55 55 THR C C 13 173.8060 0.0000 . 1 . . . . A 55 THR C . 30223 1 607 . 1 . 1 55 55 THR CA C 13 61.2830 0.0000 . 1 . . . . A 55 THR CA . 30223 1 608 . 1 . 1 55 55 THR CB C 13 70.6090 0.0000 . 1 . . . . A 55 THR CB . 30223 1 609 . 1 . 1 55 55 THR CG2 C 13 21.3320 0.0000 . 1 . . . . A 55 THR CG2 . 30223 1 610 . 1 . 1 55 55 THR N N 15 123.4900 0.0000 . 1 . . . . A 55 THR N . 30223 1 611 . 1 . 1 56 56 GLU H H 1 7.8310 0.0000 . 1 . . . . A 56 GLU H . 30223 1 612 . 1 . 1 56 56 GLU HA H 1 4.2040 0.0000 . 1 . . . . A 56 GLU HA . 30223 1 613 . 1 . 1 56 56 GLU HB2 H 1 2.1310 0.0000 . 2 . . . . A 56 GLU HB2 . 30223 1 614 . 1 . 1 56 56 GLU HB3 H 1 1.9190 0.0000 . 2 . . . . A 56 GLU HB3 . 30223 1 615 . 1 . 1 56 56 GLU HG2 H 1 2.3850 0.0000 . 2 . . . . A 56 GLU HG2 . 30223 1 616 . 1 . 1 56 56 GLU HG3 H 1 2.3120 0.0000 . 2 . . . . A 56 GLU HG3 . 30223 1 617 . 1 . 1 56 56 GLU CA C 13 58.3000 0.0000 . 1 . . . . A 56 GLU CA . 30223 1 618 . 1 . 1 56 56 GLU CB C 13 32.5810 0.0000 . 1 . . . . A 56 GLU CB . 30223 1 619 . 1 . 1 56 56 GLU CG C 13 36.9680 0.0000 . 1 . . . . A 56 GLU CG . 30223 1 620 . 1 . 1 56 56 GLU N N 15 133.4640 0.0000 . 1 . . . . A 56 GLU N . 30223 1 stop_ save_