################################### # 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 30221 _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 $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' . . . 30221 1 2 '3D 1H-13C NOESY aliphatic' . . . 30221 1 3 '3D 1H-13C NOESY aromatic' . . . 30221 1 4 '3D HNCACB' . . . 30221 1 5 '3D HNCO' . . . 30221 1 6 '2D 1H-13C HSQC' . . . 30221 1 7 '2D 1H-13C HSQC' . . . 30221 1 8 '2D 1H-15N HSQC' . . . 30221 1 9 '3D 1H-15N TOCSY' . . . 30221 1 10 '3D HCCH-COSY' . . . 30221 1 11 '3D HCCH-TOCSY' . . . 30221 1 12 '3D CCH-TOCSY' . . . 30221 1 13 '3D CBCA(CO)NH' . . . 30221 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.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 8.4420 0.0000 . 1 . . . . A 1 MET H1 . 30221 1 2 . 1 1 1 1 MET HA H 1 4.7220 0.0000 . 1 . . . . A 1 MET HA . 30221 1 3 . 1 1 1 1 MET HB2 H 1 1.9960 0.0000 . 2 . . . . A 1 MET HB2 . 30221 1 4 . 1 1 1 1 MET HG2 H 1 2.5010 0.0000 . 2 . . . . A 1 MET HG2 . 30221 1 5 . 1 1 1 1 MET HG3 H 1 2.3830 0.0000 . 2 . . . . A 1 MET HG3 . 30221 1 6 . 1 1 1 1 MET C C 13 174.3020 0.0000 . 1 . . . . A 1 MET C . 30221 1 7 . 1 1 1 1 MET CA C 13 54.6800 0.0000 . 1 . . . . A 1 MET CA . 30221 1 8 . 1 1 1 1 MET CB C 13 35.2870 0.0000 . 1 . . . . A 1 MET CB . 30221 1 9 . 1 1 1 1 MET CG C 13 31.6740 0.0000 . 1 . . . . A 1 MET CG . 30221 1 10 . 1 1 1 1 MET N N 15 120.1240 0.0000 . 1 . . . . A 1 MET N . 30221 1 11 . 1 1 2 2 THR H H 1 8.1610 0.0000 . 1 . . . . A 2 THR H . 30221 1 12 . 1 1 2 2 THR HA H 1 4.7910 0.0000 . 1 . . . . A 2 THR HA . 30221 1 13 . 1 1 2 2 THR HB H 1 3.9380 0.0000 . 1 . . . . A 2 THR HB . 30221 1 14 . 1 1 2 2 THR HG21 H 1 1.2470 0.0000 . 1 . . . . A 2 THR HG21 . 30221 1 15 . 1 1 2 2 THR HG22 H 1 1.2470 0.0000 . 1 . . . . A 2 THR HG22 . 30221 1 16 . 1 1 2 2 THR HG23 H 1 1.2470 0.0000 . 1 . . . . A 2 THR HG23 . 30221 1 17 . 1 1 2 2 THR C C 13 174.3350 0.0000 . 1 . . . . A 2 THR C . 30221 1 18 . 1 1 2 2 THR CA C 13 63.7910 0.0000 . 1 . . . . A 2 THR CA . 30221 1 19 . 1 1 2 2 THR CB C 13 69.3890 0.0000 . 1 . . . . A 2 THR CB . 30221 1 20 . 1 1 2 2 THR CG2 C 13 22.0040 0.0000 . 1 . . . . A 2 THR CG2 . 30221 1 21 . 1 1 2 2 THR N N 15 117.0650 0.0000 . 1 . . . . A 2 THR N . 30221 1 22 . 1 1 3 3 PHE H H 1 9.4270 0.0000 . 1 . . . . A 3 PHE H . 30221 1 23 . 1 1 3 3 PHE HA H 1 5.3820 0.0000 . 1 . . . . A 3 PHE HA . 30221 1 24 . 1 1 3 3 PHE HB2 H 1 3.3880 0.0000 . 2 . . . . A 3 PHE HB2 . 30221 1 25 . 1 1 3 3 PHE HB3 H 1 2.9890 0.0000 . 2 . . . . A 3 PHE HB3 . 30221 1 26 . 1 1 3 3 PHE HD1 H 1 7.4250 0.0000 . 3 . . . . A 3 PHE HD1 . 30221 1 27 . 1 1 3 3 PHE HE1 H 1 7.1500 0.0000 . 3 . . . . A 3 PHE HE1 . 30221 1 28 . 1 1 3 3 PHE HZ H 1 7.0100 0.0000 . 1 . . . . A 3 PHE HZ . 30221 1 29 . 1 1 3 3 PHE C C 13 174.3510 0.0000 . 1 . . . . A 3 PHE C . 30221 1 30 . 1 1 3 3 PHE CA C 13 57.3830 0.0000 . 1 . . . . A 3 PHE CA . 30221 1 31 . 1 1 3 3 PHE CB C 13 44.0600 0.0000 . 1 . . . . A 3 PHE CB . 30221 1 32 . 1 1 3 3 PHE CD1 C 13 129.6210 0.0000 . 3 . . . . A 3 PHE CD1 . 30221 1 33 . 1 1 3 3 PHE CE1 C 13 128.3250 0.0000 . 3 . . . . A 3 PHE CE1 . 30221 1 34 . 1 1 3 3 PHE CZ C 13 127.8510 0.0000 . 1 . . . . A 3 PHE CZ . 30221 1 35 . 1 1 3 3 PHE N N 15 126.7520 0.0000 . 1 . . . . A 3 PHE N . 30221 1 36 . 1 1 4 4 LYS H H 1 8.8540 0.0000 . 1 . . . . A 4 LYS H . 30221 1 37 . 1 1 4 4 LYS HA H 1 5.5270 0.0000 . 1 . . . . A 4 LYS HA . 30221 1 38 . 1 1 4 4 LYS HB2 H 1 1.9190 0.0000 . 2 . . . . A 4 LYS HB2 . 30221 1 39 . 1 1 4 4 LYS HG2 H 1 1.4790 0.0000 . 2 . . . . A 4 LYS HG2 . 30221 1 40 . 1 1 4 4 LYS HD2 H 1 1.6810 0.0000 . 2 . . . . A 4 LYS HD2 . 30221 1 41 . 1 1 4 4 LYS HE2 H 1 2.8140 0.0000 . 2 . . . . A 4 LYS HE2 . 30221 1 42 . 1 1 4 4 LYS C C 13 173.1500 0.0000 . 1 . . . . A 4 LYS C . 30221 1 43 . 1 1 4 4 LYS CA C 13 54.8030 0.0000 . 1 . . . . A 4 LYS CA . 30221 1 44 . 1 1 4 4 LYS CB C 13 36.4140 0.0000 . 1 . . . . A 4 LYS CB . 30221 1 45 . 1 1 4 4 LYS CG C 13 25.6400 0.0000 . 1 . . . . A 4 LYS CG . 30221 1 46 . 1 1 4 4 LYS CD C 13 29.0190 0.0000 . 1 . . . . A 4 LYS CD . 30221 1 47 . 1 1 4 4 LYS CE C 13 41.8250 0.0000 . 1 . . . . A 4 LYS CE . 30221 1 48 . 1 1 4 4 LYS N N 15 122.1480 0.0000 . 1 . . . . A 4 LYS N . 30221 1 49 . 1 1 5 5 LEU H H 1 9.2320 0.0000 . 1 . . . . A 5 LEU H . 30221 1 50 . 1 1 5 5 LEU HA H 1 5.0660 0.0000 . 1 . . . . A 5 LEU HA . 30221 1 51 . 1 1 5 5 LEU HB2 H 1 1.0270 0.0000 . 2 . . . . A 5 LEU HB2 . 30221 1 52 . 1 1 5 5 LEU HB3 H 1 -0.7480 0.0000 . 2 . . . . A 5 LEU HB3 . 30221 1 53 . 1 1 5 5 LEU HG H 1 0.0960 0.0000 . 1 . . . . A 5 LEU HG . 30221 1 54 . 1 1 5 5 LEU HD11 H 1 0.0970 0.0000 . 2 . . . . A 5 LEU HD11 . 30221 1 55 . 1 1 5 5 LEU HD12 H 1 0.0970 0.0000 . 2 . . . . A 5 LEU HD12 . 30221 1 56 . 1 1 5 5 LEU HD13 H 1 0.0970 0.0000 . 2 . . . . A 5 LEU HD13 . 30221 1 57 . 1 1 5 5 LEU C C 13 175.0250 0.0000 . 1 . . . . A 5 LEU C . 30221 1 58 . 1 1 5 5 LEU CA C 13 53.1620 0.0000 . 1 . . . . A 5 LEU CA . 30221 1 59 . 1 1 5 5 LEU CB C 13 42.5610 0.0000 . 1 . . . . A 5 LEU CB . 30221 1 60 . 1 1 5 5 LEU CG C 13 26.6940 0.0000 . 1 . . . . A 5 LEU CG . 30221 1 61 . 1 1 5 5 LEU CD1 C 13 24.3510 0.0000 . 2 . . . . A 5 LEU CD1 . 30221 1 62 . 1 1 5 5 LEU N N 15 126.9460 0.0000 . 1 . . . . A 5 LEU N . 30221 1 63 . 1 1 6 6 ILE H H 1 9.2060 0.0000 . 1 . . . . A 6 ILE H . 30221 1 64 . 1 1 6 6 ILE HA H 1 4.3800 0.0000 . 1 . . . . A 6 ILE HA . 30221 1 65 . 1 1 6 6 ILE HB H 1 2.0190 0.0000 . 1 . . . . A 6 ILE HB . 30221 1 66 . 1 1 6 6 ILE HG12 H 1 1.2090 0.0000 . 2 . . . . A 6 ILE HG12 . 30221 1 67 . 1 1 6 6 ILE HG21 H 1 0.8740 0.0000 . 1 . . . . A 6 ILE HG21 . 30221 1 68 . 1 1 6 6 ILE HG22 H 1 0.8740 0.0000 . 1 . . . . A 6 ILE HG22 . 30221 1 69 . 1 1 6 6 ILE HG23 H 1 0.8740 0.0000 . 1 . . . . A 6 ILE HG23 . 30221 1 70 . 1 1 6 6 ILE HD11 H 1 0.8230 0.0000 . 1 . . . . A 6 ILE HD11 . 30221 1 71 . 1 1 6 6 ILE HD12 H 1 0.8230 0.0000 . 1 . . . . A 6 ILE HD12 . 30221 1 72 . 1 1 6 6 ILE HD13 H 1 0.8230 0.0000 . 1 . . . . A 6 ILE HD13 . 30221 1 73 . 1 1 6 6 ILE C C 13 174.5290 0.0000 . 1 . . . . A 6 ILE C . 30221 1 74 . 1 1 6 6 ILE CA C 13 60.5250 0.0000 . 1 . . . . A 6 ILE CA . 30221 1 75 . 1 1 6 6 ILE CB C 13 38.0540 0.0000 . 1 . . . . A 6 ILE CB . 30221 1 76 . 1 1 6 6 ILE CG1 C 13 27.5670 0.0000 . 1 . . . . A 6 ILE CG1 . 30221 1 77 . 1 1 6 6 ILE CG2 C 13 17.0810 0.0000 . 1 . . . . A 6 ILE CG2 . 30221 1 78 . 1 1 6 6 ILE CD1 C 13 12.8140 0.0000 . 1 . . . . A 6 ILE CD1 . 30221 1 79 . 1 1 6 6 ILE N N 15 127.7440 0.0000 . 1 . . . . A 6 ILE N . 30221 1 80 . 1 1 7 7 ILE H H 1 8.5920 0.0000 . 1 . . . . A 7 ILE H . 30221 1 81 . 1 1 7 7 ILE HA H 1 3.9560 0.0000 . 1 . . . . A 7 ILE HA . 30221 1 82 . 1 1 7 7 ILE HB H 1 1.3630 0.0000 . 1 . . . . A 7 ILE HB . 30221 1 83 . 1 1 7 7 ILE HG12 H 1 0.9610 0.0000 . 2 . . . . A 7 ILE HG12 . 30221 1 84 . 1 1 7 7 ILE HG13 H 1 0.1360 0.0000 . 2 . . . . A 7 ILE HG13 . 30221 1 85 . 1 1 7 7 ILE HG21 H 1 0.5260 0.0000 . 1 . . . . A 7 ILE HG21 . 30221 1 86 . 1 1 7 7 ILE HG22 H 1 0.5260 0.0000 . 1 . . . . A 7 ILE HG22 . 30221 1 87 . 1 1 7 7 ILE HG23 H 1 0.5260 0.0000 . 1 . . . . A 7 ILE HG23 . 30221 1 88 . 1 1 7 7 ILE HD11 H 1 0.2650 0.0000 . 1 . . . . A 7 ILE HD11 . 30221 1 89 . 1 1 7 7 ILE HD12 H 1 0.2650 0.0000 . 1 . . . . A 7 ILE HD12 . 30221 1 90 . 1 1 7 7 ILE HD13 H 1 0.2650 0.0000 . 1 . . . . A 7 ILE HD13 . 30221 1 91 . 1 1 7 7 ILE C C 13 174.9330 0.0000 . 1 . . . . A 7 ILE C . 30221 1 92 . 1 1 7 7 ILE CA C 13 60.7810 0.0000 . 1 . . . . A 7 ILE CA . 30221 1 93 . 1 1 7 7 ILE CB C 13 39.4600 0.0000 . 1 . . . . A 7 ILE CB . 30221 1 94 . 1 1 7 7 ILE CG1 C 13 27.6190 0.0000 . 1 . . . . A 7 ILE CG1 . 30221 1 95 . 1 1 7 7 ILE CG2 C 13 17.9250 0.0000 . 1 . . . . A 7 ILE CG2 . 30221 1 96 . 1 1 7 7 ILE CD1 C 13 15.0190 0.0000 . 1 . . . . A 7 ILE CD1 . 30221 1 97 . 1 1 7 7 ILE N N 15 126.3220 0.0000 . 1 . . . . A 7 ILE N . 30221 1 98 . 1 1 8 8 ASN H H 1 8.9740 0.0000 . 1 . . . . A 8 ASN H . 30221 1 99 . 1 1 8 8 ASN HA H 1 5.3650 0.0000 . 1 . . . . A 8 ASN HA . 30221 1 100 . 1 1 8 8 ASN HB2 H 1 3.0750 0.0000 . 2 . . . . A 8 ASN HB2 . 30221 1 101 . 1 1 8 8 ASN HB3 H 1 2.6390 0.0000 . 2 . . . . A 8 ASN HB3 . 30221 1 102 . 1 1 8 8 ASN HD21 H 1 7.3140 0.0000 . 2 . . . . A 8 ASN HD21 . 30221 1 103 . 1 1 8 8 ASN HD22 H 1 6.7870 0.0000 . 2 . . . . A 8 ASN HD22 . 30221 1 104 . 1 1 8 8 ASN C C 13 175.4740 0.0000 . 1 . . . . A 8 ASN C . 30221 1 105 . 1 1 8 8 ASN CA C 13 51.1390 0.0000 . 1 . . . . A 8 ASN CA . 30221 1 106 . 1 1 8 8 ASN CB C 13 37.7690 0.0000 . 1 . . . . A 8 ASN CB . 30221 1 107 . 1 1 8 8 ASN N N 15 129.6670 0.0000 . 1 . . . . A 8 ASN N . 30221 1 108 . 1 1 8 8 ASN ND2 N 15 111.7020 0.0000 . 1 . . . . A 8 ASN ND2 . 30221 1 109 . 1 1 9 9 GLY H H 1 7.5780 0.0000 . 1 . . . . A 9 GLY H . 30221 1 110 . 1 1 9 9 GLY HA2 H 1 4.5530 0.0000 . 2 . . . . A 9 GLY HA2 . 30221 1 111 . 1 1 9 9 GLY HA3 H 1 4.1440 0.0000 . 2 . . . . A 9 GLY HA3 . 30221 1 112 . 1 1 9 9 GLY C C 13 173.9260 0.0000 . 1 . . . . A 9 GLY C . 30221 1 113 . 1 1 9 9 GLY CA C 13 44.5420 0.0000 . 1 . . . . A 9 GLY CA . 30221 1 114 . 1 1 9 9 GLY N N 15 108.9210 0.0000 . 1 . . . . A 9 GLY N . 30221 1 115 . 1 1 10 10 LYS H H 1 9.3960 0.0000 . 1 . . . . A 10 LYS H . 30221 1 116 . 1 1 10 10 LYS HA H 1 4.1760 0.0000 . 1 . . . . A 10 LYS HA . 30221 1 117 . 1 1 10 10 LYS HB2 H 1 1.8670 0.0000 . 2 . . . . A 10 LYS HB2 . 30221 1 118 . 1 1 10 10 LYS HG2 H 1 1.4910 0.0000 . 2 . . . . A 10 LYS HG2 . 30221 1 119 . 1 1 10 10 LYS HD2 H 1 1.6910 0.0000 . 2 . . . . A 10 LYS HD2 . 30221 1 120 . 1 1 10 10 LYS HE2 H 1 3.0140 0.0000 . 2 . . . . A 10 LYS HE2 . 30221 1 121 . 1 1 10 10 LYS C C 13 178.7770 0.0000 . 1 . . . . A 10 LYS C . 30221 1 122 . 1 1 10 10 LYS CA C 13 58.8350 0.0000 . 1 . . . . A 10 LYS CA . 30221 1 123 . 1 1 10 10 LYS CB C 13 32.8480 0.0000 . 1 . . . . A 10 LYS CB . 30221 1 124 . 1 1 10 10 LYS CG C 13 25.7400 0.0000 . 1 . . . . A 10 LYS CG . 30221 1 125 . 1 1 10 10 LYS CD C 13 29.0390 0.0000 . 1 . . . . A 10 LYS CD . 30221 1 126 . 1 1 10 10 LYS CE C 13 41.9820 0.0000 . 1 . . . . A 10 LYS CE . 30221 1 127 . 1 1 10 10 LYS N N 15 120.1410 0.0000 . 1 . . . . A 10 LYS N . 30221 1 128 . 1 1 11 11 THR H H 1 8.6260 0.0000 . 1 . . . . A 11 THR H . 30221 1 129 . 1 1 11 11 THR HA H 1 4.4870 0.0000 . 1 . . . . A 11 THR HA . 30221 1 130 . 1 1 11 11 THR HB H 1 4.2940 0.0000 . 1 . . . . A 11 THR HB . 30221 1 131 . 1 1 11 11 THR HG21 H 1 1.2270 0.0000 . 1 . . . . A 11 THR HG21 . 30221 1 132 . 1 1 11 11 THR HG22 H 1 1.2270 0.0000 . 1 . . . . A 11 THR HG22 . 30221 1 133 . 1 1 11 11 THR HG23 H 1 1.2270 0.0000 . 1 . . . . A 11 THR HG23 . 30221 1 134 . 1 1 11 11 THR C C 13 173.3590 0.0000 . 1 . . . . A 11 THR C . 30221 1 135 . 1 1 11 11 THR CA C 13 62.2810 0.0000 . 1 . . . . A 11 THR CA . 30221 1 136 . 1 1 11 11 THR CB C 13 70.0250 0.0000 . 1 . . . . A 11 THR CB . 30221 1 137 . 1 1 11 11 THR CG2 C 13 22.2040 0.0000 . 1 . . . . A 11 THR CG2 . 30221 1 138 . 1 1 11 11 THR N N 15 110.0460 0.0000 . 1 . . . . A 11 THR N . 30221 1 139 . 1 1 12 12 LEU H H 1 7.4930 0.0000 . 1 . . . . A 12 LEU H . 30221 1 140 . 1 1 12 12 LEU HA H 1 5.1380 0.0000 . 1 . . . . A 12 LEU HA . 30221 1 141 . 1 1 12 12 LEU HB2 H 1 1.3130 0.0000 . 2 . . . . A 12 LEU HB2 . 30221 1 142 . 1 1 12 12 LEU HB3 H 1 1.1210 0.0000 . 2 . . . . A 12 LEU HB3 . 30221 1 143 . 1 1 12 12 LEU HG H 1 1.4500 0.0000 . 1 . . . . A 12 LEU HG . 30221 1 144 . 1 1 12 12 LEU HD11 H 1 0.5840 0.0000 . 2 . . . . A 12 LEU HD11 . 30221 1 145 . 1 1 12 12 LEU HD12 H 1 0.5840 0.0000 . 2 . . . . A 12 LEU HD12 . 30221 1 146 . 1 1 12 12 LEU HD13 H 1 0.5840 0.0000 . 2 . . . . A 12 LEU HD13 . 30221 1 147 . 1 1 12 12 LEU HD21 H 1 0.9680 0.0000 . 2 . . . . A 12 LEU HD21 . 30221 1 148 . 1 1 12 12 LEU HD22 H 1 0.9680 0.0000 . 2 . . . . A 12 LEU HD22 . 30221 1 149 . 1 1 12 12 LEU HD23 H 1 0.9680 0.0000 . 2 . . . . A 12 LEU HD23 . 30221 1 150 . 1 1 12 12 LEU C C 13 173.7720 0.0000 . 1 . . . . A 12 LEU C . 30221 1 151 . 1 1 12 12 LEU CA C 13 54.0000 0.0000 . 1 . . . . A 12 LEU CA . 30221 1 152 . 1 1 12 12 LEU CB C 13 45.5300 0.0000 . 1 . . . . A 12 LEU CB . 30221 1 153 . 1 1 12 12 LEU CG C 13 27.1650 0.0000 . 1 . . . . A 12 LEU CG . 30221 1 154 . 1 1 12 12 LEU CD1 C 13 25.2670 0.0000 . 2 . . . . A 12 LEU CD1 . 30221 1 155 . 1 1 12 12 LEU CD2 C 13 24.7240 0.0000 . 2 . . . . A 12 LEU CD2 . 30221 1 156 . 1 1 12 12 LEU N N 15 125.7870 0.0000 . 1 . . . . A 12 LEU N . 30221 1 157 . 1 1 13 13 LYS H H 1 8.2180 0.0000 . 1 . . . . A 13 LYS H . 30221 1 158 . 1 1 13 13 LYS HA H 1 5.2350 0.0000 . 1 . . . . A 13 LYS HA . 30221 1 159 . 1 1 13 13 LYS HB3 H 1 1.8770 0.0000 . 2 . . . . A 13 LYS HB3 . 30221 1 160 . 1 1 13 13 LYS HG2 H 1 1.4910 0.0000 . 2 . . . . A 13 LYS HG2 . 30221 1 161 . 1 1 13 13 LYS HD2 H 1 1.8220 0.0000 . 2 . . . . A 13 LYS HD2 . 30221 1 162 . 1 1 13 13 LYS HD3 H 1 1.6810 0.0000 . 2 . . . . A 13 LYS HD3 . 30221 1 163 . 1 1 13 13 LYS HE2 H 1 3.0070 0.0000 . 2 . . . . A 13 LYS HE2 . 30221 1 164 . 1 1 13 13 LYS C C 13 176.0310 0.0000 . 1 . . . . A 13 LYS C . 30221 1 165 . 1 1 13 13 LYS CA C 13 53.8140 0.0000 . 1 . . . . A 13 LYS CA . 30221 1 166 . 1 1 13 13 LYS CB C 13 36.6250 0.0000 . 1 . . . . A 13 LYS CB . 30221 1 167 . 1 1 13 13 LYS CG C 13 25.5400 0.0000 . 1 . . . . A 13 LYS CG . 30221 1 168 . 1 1 13 13 LYS CD C 13 29.1490 0.0000 . 1 . . . . A 13 LYS CD . 30221 1 169 . 1 1 13 13 LYS CE C 13 42.4820 0.0000 . 1 . . . . A 13 LYS CE . 30221 1 170 . 1 1 13 13 LYS N N 15 120.7040 0.0000 . 1 . . . . A 13 LYS N . 30221 1 171 . 1 1 14 14 GLY H H 1 8.3630 0.0000 . 1 . . . . A 14 GLY H . 30221 1 172 . 1 1 14 14 GLY HA2 H 1 4.9550 0.0000 . 2 . . . . A 14 GLY HA2 . 30221 1 173 . 1 1 14 14 GLY HA3 H 1 4.2600 0.0000 . 2 . . . . A 14 GLY HA3 . 30221 1 174 . 1 1 14 14 GLY C C 13 171.7490 0.0000 . 1 . . . . A 14 GLY C . 30221 1 175 . 1 1 14 14 GLY CA C 13 46.2700 0.0000 . 1 . . . . A 14 GLY CA . 30221 1 176 . 1 1 14 14 GLY N N 15 106.4050 0.0000 . 1 . . . . A 14 GLY N . 30221 1 177 . 1 1 15 15 GLU H H 1 8.4890 0.0000 . 1 . . . . A 15 GLU H . 30221 1 178 . 1 1 15 15 GLU HA H 1 5.7030 0.0000 . 1 . . . . A 15 GLU HA . 30221 1 179 . 1 1 15 15 GLU HB2 H 1 2.0540 0.0000 . 2 . . . . A 15 GLU HB2 . 30221 1 180 . 1 1 15 15 GLU HG2 H 1 2.2340 0.0000 . 2 . . . . A 15 GLU HG2 . 30221 1 181 . 1 1 15 15 GLU C C 13 175.4310 0.0000 . 1 . . . . A 15 GLU C . 30221 1 182 . 1 1 15 15 GLU CA C 13 55.2300 0.0000 . 1 . . . . A 15 GLU CA . 30221 1 183 . 1 1 15 15 GLU CB C 13 33.6340 0.0000 . 1 . . . . A 15 GLU CB . 30221 1 184 . 1 1 15 15 GLU CG C 13 36.4060 0.0000 . 1 . . . . A 15 GLU CG . 30221 1 185 . 1 1 15 15 GLU N N 15 120.2460 0.0000 . 1 . . . . A 15 GLU N . 30221 1 186 . 1 1 16 16 THR H H 1 9.2200 0.0000 . 1 . . . . A 16 THR H . 30221 1 187 . 1 1 16 16 THR HA H 1 5.6830 0.0000 . 1 . . . . A 16 THR HA . 30221 1 188 . 1 1 16 16 THR HB H 1 4.3640 0.0000 . 1 . . . . A 16 THR HB . 30221 1 189 . 1 1 16 16 THR HG21 H 1 1.0710 0.0000 . 1 . . . . A 16 THR HG21 . 30221 1 190 . 1 1 16 16 THR HG22 H 1 1.0710 0.0000 . 1 . . . . A 16 THR HG22 . 30221 1 191 . 1 1 16 16 THR HG23 H 1 1.0710 0.0000 . 1 . . . . A 16 THR HG23 . 30221 1 192 . 1 1 16 16 THR C C 13 173.3390 0.0000 . 1 . . . . A 16 THR C . 30221 1 193 . 1 1 16 16 THR CA C 13 59.8250 0.0000 . 1 . . . . A 16 THR CA . 30221 1 194 . 1 1 16 16 THR CB C 13 73.1720 0.0000 . 1 . . . . A 16 THR CB . 30221 1 195 . 1 1 16 16 THR CG2 C 13 21.9720 0.0000 . 1 . . . . A 16 THR CG2 . 30221 1 196 . 1 1 16 16 THR N N 15 113.9930 0.0000 . 1 . . . . A 16 THR N . 30221 1 197 . 1 1 17 17 THR H H 1 9.7500 0.0000 . 1 . . . . A 17 THR H . 30221 1 198 . 1 1 17 17 THR HA H 1 6.0190 0.0000 . 1 . . . . A 17 THR HA . 30221 1 199 . 1 1 17 17 THR HB H 1 4.3640 0.0000 . 1 . . . . A 17 THR HB . 30221 1 200 . 1 1 17 17 THR HG21 H 1 1.2460 0.0000 . 1 . . . . A 17 THR HG21 . 30221 1 201 . 1 1 17 17 THR HG22 H 1 1.2460 0.0000 . 1 . . . . A 17 THR HG22 . 30221 1 202 . 1 1 17 17 THR HG23 H 1 1.2460 0.0000 . 1 . . . . A 17 THR HG23 . 30221 1 203 . 1 1 17 17 THR C C 13 173.6330 0.0000 . 1 . . . . A 17 THR C . 30221 1 204 . 1 1 17 17 THR CA C 13 60.0210 0.0000 . 1 . . . . A 17 THR CA . 30221 1 205 . 1 1 17 17 THR CB C 13 73.1340 0.0000 . 1 . . . . A 17 THR CB . 30221 1 206 . 1 1 17 17 THR CG2 C 13 21.1690 0.0000 . 1 . . . . A 17 THR CG2 . 30221 1 207 . 1 1 17 17 THR N N 15 111.1490 0.0000 . 1 . . . . A 17 THR N . 30221 1 208 . 1 1 18 18 THR H H 1 8.8960 0.0000 . 1 . . . . A 18 THR H . 30221 1 209 . 1 1 18 18 THR HA H 1 4.8590 0.0000 . 1 . . . . A 18 THR HA . 30221 1 210 . 1 1 18 18 THR HB H 1 3.9070 0.0000 . 1 . . . . A 18 THR HB . 30221 1 211 . 1 1 18 18 THR HG21 H 1 0.5530 0.0000 . 1 . . . . A 18 THR HG21 . 30221 1 212 . 1 1 18 18 THR HG22 H 1 0.5530 0.0000 . 1 . . . . A 18 THR HG22 . 30221 1 213 . 1 1 18 18 THR HG23 H 1 0.5530 0.0000 . 1 . . . . A 18 THR HG23 . 30221 1 214 . 1 1 18 18 THR C C 13 171.1550 0.0000 . 1 . . . . A 18 THR C . 30221 1 215 . 1 1 18 18 THR CA C 13 61.6540 0.0000 . 1 . . . . A 18 THR CA . 30221 1 216 . 1 1 18 18 THR CB C 13 70.9390 0.0000 . 1 . . . . A 18 THR CB . 30221 1 217 . 1 1 18 18 THR CG2 C 13 17.8970 0.0000 . 1 . . . . A 18 THR CG2 . 30221 1 218 . 1 1 18 18 THR N N 15 113.7310 0.0000 . 1 . . . . A 18 THR N . 30221 1 219 . 1 1 19 19 GLU H H 1 8.0880 0.0000 . 1 . . . . A 19 GLU H . 30221 1 220 . 1 1 19 19 GLU HA H 1 5.5370 0.0000 . 1 . . . . A 19 GLU HA . 30221 1 221 . 1 1 19 19 GLU HB2 H 1 1.8980 0.0000 . 2 . . . . A 19 GLU HB2 . 30221 1 222 . 1 1 19 19 GLU HG2 H 1 2.1420 0.0000 . 2 . . . . A 19 GLU HG2 . 30221 1 223 . 1 1 19 19 GLU C C 13 177.4660 0.0000 . 1 . . . . A 19 GLU C . 30221 1 224 . 1 1 19 19 GLU CA C 13 54.8000 0.0000 . 1 . . . . A 19 GLU CA . 30221 1 225 . 1 1 19 19 GLU CB C 13 31.2290 0.0000 . 1 . . . . A 19 GLU CB . 30221 1 226 . 1 1 19 19 GLU CG C 13 36.6410 0.0000 . 1 . . . . A 19 GLU CG . 30221 1 227 . 1 1 19 19 GLU N N 15 124.7740 0.0000 . 1 . . . . A 19 GLU N . 30221 1 228 . 1 1 20 20 ALA H H 1 9.4310 0.0000 . 1 . . . . A 20 ALA H . 30221 1 229 . 1 1 20 20 ALA HA H 1 4.9840 0.0000 . 1 . . . . A 20 ALA HA . 30221 1 230 . 1 1 20 20 ALA HB1 H 1 1.3900 0.0000 . 1 . . . . A 20 ALA HB1 . 30221 1 231 . 1 1 20 20 ALA HB2 H 1 1.3900 0.0000 . 1 . . . . A 20 ALA HB2 . 30221 1 232 . 1 1 20 20 ALA HB3 H 1 1.3900 0.0000 . 1 . . . . A 20 ALA HB3 . 30221 1 233 . 1 1 20 20 ALA C C 13 177.4630 0.0000 . 1 . . . . A 20 ALA C . 30221 1 234 . 1 1 20 20 ALA CA C 13 51.0060 0.0000 . 1 . . . . A 20 ALA CA . 30221 1 235 . 1 1 20 20 ALA CB C 13 23.5760 0.0000 . 1 . . . . A 20 ALA CB . 30221 1 236 . 1 1 20 20 ALA N N 15 125.4250 0.0000 . 1 . . . . A 20 ALA N . 30221 1 237 . 1 1 21 21 VAL H H 1 8.4630 0.0000 . 1 . . . . A 21 VAL H . 30221 1 238 . 1 1 21 21 VAL HA H 1 4.2010 0.0000 . 1 . . . . A 21 VAL HA . 30221 1 239 . 1 1 21 21 VAL HB H 1 2.2070 0.0000 . 1 . . . . A 21 VAL HB . 30221 1 240 . 1 1 21 21 VAL HG11 H 1 0.9990 0.0000 . 2 . . . . A 21 VAL HG11 . 30221 1 241 . 1 1 21 21 VAL HG12 H 1 0.9990 0.0000 . 2 . . . . A 21 VAL HG12 . 30221 1 242 . 1 1 21 21 VAL HG13 H 1 0.9990 0.0000 . 2 . . . . A 21 VAL HG13 . 30221 1 243 . 1 1 21 21 VAL HG21 H 1 0.9990 0.0000 . 2 . . . . A 21 VAL HG21 . 30221 1 244 . 1 1 21 21 VAL HG22 H 1 0.9990 0.0000 . 2 . . . . A 21 VAL HG22 . 30221 1 245 . 1 1 21 21 VAL HG23 H 1 0.9990 0.0000 . 2 . . . . A 21 VAL HG23 . 30221 1 246 . 1 1 21 21 VAL C C 13 174.7960 0.0000 . 1 . . . . A 21 VAL C . 30221 1 247 . 1 1 21 21 VAL CA C 13 63.8590 0.0000 . 1 . . . . A 21 VAL CA . 30221 1 248 . 1 1 21 21 VAL CB C 13 32.1370 0.0000 . 1 . . . . A 21 VAL CB . 30221 1 249 . 1 1 21 21 VAL CG1 C 13 21.0500 0.0000 . 2 . . . . A 21 VAL CG1 . 30221 1 250 . 1 1 21 21 VAL CG2 C 13 19.9120 0.0000 . 2 . . . . A 21 VAL CG2 . 30221 1 251 . 1 1 21 21 VAL N N 15 114.1490 0.0000 . 1 . . . . A 21 VAL N . 30221 1 252 . 1 1 22 22 ASP H H 1 7.2870 0.0000 . 1 . . . . A 22 ASP H . 30221 1 253 . 1 1 22 22 ASP HA H 1 4.7110 0.0000 . 1 . . . . A 22 ASP HA . 30221 1 254 . 1 1 22 22 ASP HB2 H 1 3.0940 0.0000 . 2 . . . . A 22 ASP HB2 . 30221 1 255 . 1 1 22 22 ASP C C 13 174.2140 0.0000 . 1 . . . . A 22 ASP C . 30221 1 256 . 1 1 22 22 ASP CA C 13 52.7950 0.0000 . 1 . . . . A 22 ASP CA . 30221 1 257 . 1 1 22 22 ASP CB C 13 42.3660 0.0000 . 1 . . . . A 22 ASP CB . 30221 1 258 . 1 1 22 22 ASP N N 15 113.5890 0.0000 . 1 . . . . A 22 ASP N . 30221 1 259 . 1 1 23 23 ALA H H 1 8.6490 0.0000 . 1 . . . . A 23 ALA H . 30221 1 260 . 1 1 23 23 ALA HA H 1 3.2040 0.0000 . 1 . . . . A 23 ALA HA . 30221 1 261 . 1 1 23 23 ALA HB1 H 1 1.2120 0.0000 . 1 . . . . A 23 ALA HB1 . 30221 1 262 . 1 1 23 23 ALA HB2 H 1 1.2120 0.0000 . 1 . . . . A 23 ALA HB2 . 30221 1 263 . 1 1 23 23 ALA HB3 H 1 1.2120 0.0000 . 1 . . . . A 23 ALA HB3 . 30221 1 264 . 1 1 23 23 ALA C C 13 179.1210 0.0000 . 1 . . . . A 23 ALA C . 30221 1 265 . 1 1 23 23 ALA CA C 13 54.9270 0.0000 . 1 . . . . A 23 ALA CA . 30221 1 266 . 1 1 23 23 ALA CB C 13 17.6830 0.0000 . 1 . . . . A 23 ALA CB . 30221 1 267 . 1 1 23 23 ALA N N 15 122.0520 0.0000 . 1 . . . . A 23 ALA N . 30221 1 268 . 1 1 24 24 ALA H H 1 8.1510 0.0000 . 1 . . . . A 24 ALA H . 30221 1 269 . 1 1 24 24 ALA HA H 1 4.0470 0.0000 . 1 . . . . A 24 ALA HA . 30221 1 270 . 1 1 24 24 ALA HB1 H 1 1.3420 0.0000 . 1 . . . . A 24 ALA HB1 . 30221 1 271 . 1 1 24 24 ALA HB2 H 1 1.3420 0.0000 . 1 . . . . A 24 ALA HB2 . 30221 1 272 . 1 1 24 24 ALA HB3 H 1 1.3420 0.0000 . 1 . . . . A 24 ALA HB3 . 30221 1 273 . 1 1 24 24 ALA C C 13 181.0160 0.0000 . 1 . . . . A 24 ALA C . 30221 1 274 . 1 1 24 24 ALA CA C 13 54.9480 0.0000 . 1 . . . . A 24 ALA CA . 30221 1 275 . 1 1 24 24 ALA CB C 13 17.8670 0.0000 . 1 . . . . A 24 ALA CB . 30221 1 276 . 1 1 24 24 ALA N N 15 120.6870 0.0000 . 1 . . . . A 24 ALA N . 30221 1 277 . 1 1 25 25 THR H H 1 8.3420 0.0000 . 1 . . . . A 25 THR H . 30221 1 278 . 1 1 25 25 THR HA H 1 3.7520 0.0000 . 1 . . . . A 25 THR HA . 30221 1 279 . 1 1 25 25 THR HB H 1 4.0680 0.0000 . 1 . . . . A 25 THR HB . 30221 1 280 . 1 1 25 25 THR HG21 H 1 1.2760 0.0000 . 1 . . . . A 25 THR HG21 . 30221 1 281 . 1 1 25 25 THR HG22 H 1 1.2760 0.0000 . 1 . . . . A 25 THR HG22 . 30221 1 282 . 1 1 25 25 THR HG23 H 1 1.2760 0.0000 . 1 . . . . A 25 THR HG23 . 30221 1 283 . 1 1 25 25 THR C C 13 175.8620 0.0000 . 1 . . . . A 25 THR C . 30221 1 284 . 1 1 25 25 THR CA C 13 67.0660 0.0000 . 1 . . . . A 25 THR CA . 30221 1 285 . 1 1 25 25 THR CB C 13 67.6830 0.0000 . 1 . . . . A 25 THR CB . 30221 1 286 . 1 1 25 25 THR CG2 C 13 20.9690 0.0000 . 1 . . . . A 25 THR CG2 . 30221 1 287 . 1 1 25 25 THR N N 15 116.1590 0.0000 . 1 . . . . A 25 THR N . 30221 1 288 . 1 1 26 26 ALA H H 1 7.4710 0.0000 . 1 . . . . A 26 ALA H . 30221 1 289 . 1 1 26 26 ALA HA H 1 3.2640 0.0000 . 1 . . . . A 26 ALA HA . 30221 1 290 . 1 1 26 26 ALA HB1 H 1 0.7090 0.0000 . 1 . . . . A 26 ALA HB1 . 30221 1 291 . 1 1 26 26 ALA HB2 H 1 0.7090 0.0000 . 1 . . . . A 26 ALA HB2 . 30221 1 292 . 1 1 26 26 ALA HB3 H 1 0.7090 0.0000 . 1 . . . . A 26 ALA HB3 . 30221 1 293 . 1 1 26 26 ALA C C 13 177.1770 0.0000 . 1 . . . . A 26 ALA C . 30221 1 294 . 1 1 26 26 ALA CA C 13 55.1990 0.0000 . 1 . . . . A 26 ALA CA . 30221 1 295 . 1 1 26 26 ALA CB C 13 17.8140 0.0000 . 1 . . . . A 26 ALA CB . 30221 1 296 . 1 1 26 26 ALA N N 15 123.8510 0.0000 . 1 . . . . A 26 ALA N . 30221 1 297 . 1 1 27 27 GLU H H 1 8.3860 0.0000 . 1 . . . . A 27 GLU H . 30221 1 298 . 1 1 27 27 GLU HA H 1 3.0290 0.0000 . 1 . . . . A 27 GLU HA . 30221 1 299 . 1 1 27 27 GLU HB2 H 1 2.0830 0.0000 . 2 . . . . A 27 GLU HB2 . 30221 1 300 . 1 1 27 27 GLU HB3 H 1 1.8820 0.0000 . 2 . . . . A 27 GLU HB3 . 30221 1 301 . 1 1 27 27 GLU HG2 H 1 1.7200 0.0000 . 2 . . . . A 27 GLU HG2 . 30221 1 302 . 1 1 27 27 GLU C C 13 177.2460 0.0000 . 1 . . . . A 27 GLU C . 30221 1 303 . 1 1 27 27 GLU CA C 13 59.9940 0.0000 . 1 . . . . A 27 GLU CA . 30221 1 304 . 1 1 27 27 GLU CB C 13 29.4940 0.0000 . 1 . . . . A 27 GLU CB . 30221 1 305 . 1 1 27 27 GLU CG C 13 35.9760 0.0000 . 1 . . . . A 27 GLU CG . 30221 1 306 . 1 1 27 27 GLU N N 15 116.5900 0.0000 . 1 . . . . A 27 GLU N . 30221 1 307 . 1 1 28 28 LYS H H 1 7.0170 0.0000 . 1 . . . . A 28 LYS H . 30221 1 308 . 1 1 28 28 LYS HA H 1 3.7640 0.0000 . 1 . . . . A 28 LYS HA . 30221 1 309 . 1 1 28 28 LYS HB2 H 1 1.8800 0.0000 . 2 . . . . A 28 LYS HB2 . 30221 1 310 . 1 1 28 28 LYS HG2 H 1 1.5510 0.0000 . 2 . . . . A 28 LYS HG2 . 30221 1 311 . 1 1 28 28 LYS HG3 H 1 1.3470 0.0000 . 2 . . . . A 28 LYS HG3 . 30221 1 312 . 1 1 28 28 LYS HD2 H 1 1.6240 0.0000 . 2 . . . . A 28 LYS HD2 . 30221 1 313 . 1 1 28 28 LYS HE2 H 1 2.9120 0.0000 . 2 . . . . A 28 LYS HE2 . 30221 1 314 . 1 1 28 28 LYS C C 13 179.4510 0.0000 . 1 . . . . A 28 LYS C . 30221 1 315 . 1 1 28 28 LYS CA C 13 59.5790 0.0000 . 1 . . . . A 28 LYS CA . 30221 1 316 . 1 1 28 28 LYS CB C 13 32.2980 0.0000 . 1 . . . . A 28 LYS CB . 30221 1 317 . 1 1 28 28 LYS CG C 13 25.1360 0.0000 . 1 . . . . A 28 LYS CG . 30221 1 318 . 1 1 28 28 LYS CD C 13 29.2390 0.0000 . 1 . . . . A 28 LYS CD . 30221 1 319 . 1 1 28 28 LYS CE C 13 41.8440 0.0000 . 1 . . . . A 28 LYS CE . 30221 1 320 . 1 1 28 28 LYS N N 15 116.1470 0.0000 . 1 . . . . A 28 LYS N . 30221 1 321 . 1 1 29 29 VAL H H 1 7.6090 0.0000 . 1 . . . . A 29 VAL H . 30221 1 322 . 1 1 29 29 VAL HA H 1 3.6430 0.0000 . 1 . . . . A 29 VAL HA . 30221 1 323 . 1 1 29 29 VAL HB H 1 1.8880 0.0000 . 1 . . . . A 29 VAL HB . 30221 1 324 . 1 1 29 29 VAL HG11 H 1 0.9760 0.0000 . 2 . . . . A 29 VAL HG11 . 30221 1 325 . 1 1 29 29 VAL HG12 H 1 0.9760 0.0000 . 2 . . . . A 29 VAL HG12 . 30221 1 326 . 1 1 29 29 VAL HG13 H 1 0.9760 0.0000 . 2 . . . . A 29 VAL HG13 . 30221 1 327 . 1 1 29 29 VAL HG21 H 1 0.8810 0.0000 . 2 . . . . A 29 VAL HG21 . 30221 1 328 . 1 1 29 29 VAL HG22 H 1 0.8810 0.0000 . 2 . . . . A 29 VAL HG22 . 30221 1 329 . 1 1 29 29 VAL HG23 H 1 0.8810 0.0000 . 2 . . . . A 29 VAL HG23 . 30221 1 330 . 1 1 29 29 VAL CA C 13 66.4980 0.0000 . 1 . . . . A 29 VAL CA . 30221 1 331 . 1 1 29 29 VAL CB C 13 31.5080 0.0000 . 1 . . . . A 29 VAL CB . 30221 1 332 . 1 1 29 29 VAL CG1 C 13 21.9200 0.0000 . 2 . . . . A 29 VAL CG1 . 30221 1 333 . 1 1 29 29 VAL CG2 C 13 20.8570 0.0000 . 2 . . . . A 29 VAL CG2 . 30221 1 334 . 1 1 29 29 VAL N N 15 120.5780 0.0000 . 1 . . . . A 29 VAL N . 30221 1 335 . 1 1 30 30 PHE H H 1 8.4240 0.0000 . 1 . . . . A 30 PHE H . 30221 1 336 . 1 1 30 30 PHE HA H 1 4.7750 0.0000 . 1 . . . . A 30 PHE HA . 30221 1 337 . 1 1 30 30 PHE HB2 H 1 3.4980 0.0000 . 2 . . . . A 30 PHE HB2 . 30221 1 338 . 1 1 30 30 PHE HB3 H 1 3.0420 0.0000 . 2 . . . . A 30 PHE HB3 . 30221 1 339 . 1 1 30 30 PHE HD1 H 1 6.8280 0.0000 . 3 . . . . A 30 PHE HD1 . 30221 1 340 . 1 1 30 30 PHE HE1 H 1 7.3780 0.0000 . 3 . . . . A 30 PHE HE1 . 30221 1 341 . 1 1 30 30 PHE HZ H 1 7.1640 0.0000 . 1 . . . . A 30 PHE HZ . 30221 1 342 . 1 1 30 30 PHE C C 13 179.1530 0.0000 . 1 . . . . A 30 PHE C . 30221 1 343 . 1 1 30 30 PHE CA C 13 60.5760 0.0000 . 1 . . . . A 30 PHE CA . 30221 1 344 . 1 1 30 30 PHE CB C 13 38.8780 0.0000 . 1 . . . . A 30 PHE CB . 30221 1 345 . 1 1 30 30 PHE CD1 C 13 128.3710 0.0000 . 3 . . . . A 30 PHE CD1 . 30221 1 346 . 1 1 30 30 PHE CE1 C 13 129.8640 0.0000 . 3 . . . . A 30 PHE CE1 . 30221 1 347 . 1 1 30 30 PHE CZ C 13 126.1820 0.0000 . 1 . . . . A 30 PHE CZ . 30221 1 348 . 1 1 30 30 PHE N N 15 117.5560 0.0000 . 1 . . . . A 30 PHE N . 30221 1 349 . 1 1 31 31 LYS H H 1 8.7060 0.0000 . 1 . . . . A 31 LYS H . 30221 1 350 . 1 1 31 31 LYS HA H 1 4.2870 0.0000 . 1 . . . . A 31 LYS HA . 30221 1 351 . 1 1 31 31 LYS HB2 H 1 1.6970 0.0000 . 2 . . . . A 31 LYS HB2 . 30221 1 352 . 1 1 31 31 LYS HG2 H 1 1.0870 0.0000 . 2 . . . . A 31 LYS HG2 . 30221 1 353 . 1 1 31 31 LYS HG3 H 1 0.7120 0.0000 . 2 . . . . A 31 LYS HG3 . 30221 1 354 . 1 1 31 31 LYS HD2 H 1 1.1510 0.0000 . 2 . . . . A 31 LYS HD2 . 30221 1 355 . 1 1 31 31 LYS HE2 H 1 1.6680 0.0000 . 2 . . . . A 31 LYS HE2 . 30221 1 356 . 1 1 31 31 LYS HE3 H 1 1.5830 0.0000 . 2 . . . . A 31 LYS HE3 . 30221 1 357 . 1 1 31 31 LYS C C 13 178.0730 0.0000 . 1 . . . . A 31 LYS C . 30221 1 358 . 1 1 31 31 LYS CA C 13 59.2550 0.0000 . 1 . . . . A 31 LYS CA . 30221 1 359 . 1 1 31 31 LYS CB C 13 32.5030 0.0000 . 1 . . . . A 31 LYS CB . 30221 1 360 . 1 1 31 31 LYS CG C 13 27.3050 0.0000 . 1 . . . . A 31 LYS CG . 30221 1 361 . 1 1 31 31 LYS CD C 13 29.2070 0.0000 . 1 . . . . A 31 LYS CD . 30221 1 362 . 1 1 31 31 LYS CE C 13 41.0100 0.0000 . 1 . . . . A 31 LYS CE . 30221 1 363 . 1 1 31 31 LYS N N 15 117.6310 0.0000 . 1 . . . . A 31 LYS N . 30221 1 364 . 1 1 32 32 GLN H H 1 7.7520 0.0000 . 1 . . . . A 32 GLN H . 30221 1 365 . 1 1 32 32 GLN HA H 1 4.0020 0.0000 . 1 . . . . A 32 GLN HA . 30221 1 366 . 1 1 32 32 GLN HB2 H 1 2.0760 0.0000 . 2 . . . . A 32 GLN HB2 . 30221 1 367 . 1 1 32 32 GLN HB3 H 1 1.9700 0.0000 . 2 . . . . A 32 GLN HB3 . 30221 1 368 . 1 1 32 32 GLN HG2 H 1 2.2920 0.0000 . 2 . . . . A 32 GLN HG2 . 30221 1 369 . 1 1 32 32 GLN HE21 H 1 7.1330 0.0000 . 2 . . . . A 32 GLN HE21 . 30221 1 370 . 1 1 32 32 GLN HE22 H 1 6.7120 0.0000 . 2 . . . . A 32 GLN HE22 . 30221 1 371 . 1 1 32 32 GLN C C 13 177.3210 0.0000 . 1 . . . . A 32 GLN C . 30221 1 372 . 1 1 32 32 GLN CA C 13 58.3740 0.0000 . 1 . . . . A 32 GLN CA . 30221 1 373 . 1 1 32 32 GLN CB C 13 28.2120 0.0000 . 1 . . . . A 32 GLN CB . 30221 1 374 . 1 1 32 32 GLN CG C 13 33.6820 0.0000 . 1 . . . . A 32 GLN CG . 30221 1 375 . 1 1 32 32 GLN N N 15 119.1650 0.0000 . 1 . . . . A 32 GLN N . 30221 1 376 . 1 1 32 32 GLN NE2 N 15 111.1110 0.0000 . 1 . . . . A 32 GLN NE2 . 30221 1 377 . 1 1 33 33 TYR H H 1 7.3130 0.0000 . 1 . . . . A 33 TYR H . 30221 1 378 . 1 1 33 33 TYR HA H 1 4.3420 0.0000 . 1 . . . . A 33 TYR HA . 30221 1 379 . 1 1 33 33 TYR HB2 H 1 2.6410 0.0000 . 2 . . . . A 33 TYR HB2 . 30221 1 380 . 1 1 33 33 TYR HB3 H 1 2.5000 0.0000 . 2 . . . . A 33 TYR HB3 . 30221 1 381 . 1 1 33 33 TYR HD1 H 1 7.2100 0.0000 . 3 . . . . A 33 TYR HD1 . 30221 1 382 . 1 1 33 33 TYR HE1 H 1 6.864 0.0000 . 3 . . . . A 33 TYR HE1 . 30221 1 383 . 1 1 33 33 TYR C C 13 175.7690 0.0000 . 1 . . . . A 33 TYR C . 30221 1 384 . 1 1 33 33 TYR CA C 13 60.1700 0.0000 . 1 . . . . A 33 TYR CA . 30221 1 385 . 1 1 33 33 TYR CB C 13 40.0880 0.0000 . 1 . . . . A 33 TYR CB . 30221 1 386 . 1 1 33 33 TYR CD1 C 13 131.0730 0.0000 . 3 . . . . A 33 TYR CD1 . 30221 1 387 . 1 1 33 33 TYR CE1 C 13 116.9440 0.0000 . 3 . . . . A 33 TYR CE1 . 30221 1 388 . 1 1 33 33 TYR N N 15 115.4620 0.0000 . 1 . . . . A 33 TYR N . 30221 1 389 . 1 1 34 34 PHE H H 1 8.2020 0.0000 . 1 . . . . A 34 PHE H . 30221 1 390 . 1 1 34 34 PHE HA H 1 4.9190 0.0000 . 1 . . . . A 34 PHE HA . 30221 1 391 . 1 1 34 34 PHE HB2 H 1 3.2680 0.0000 . 2 . . . . A 34 PHE HB2 . 30221 1 392 . 1 1 34 34 PHE HB3 H 1 2.9780 0.0000 . 2 . . . . A 34 PHE HB3 . 30221 1 393 . 1 1 34 34 PHE HD1 H 1 7.3580 0.0000 . 3 . . . . A 34 PHE HD1 . 30221 1 394 . 1 1 34 34 PHE HE1 H 1 7.1210 0.0000 . 3 . . . . A 34 PHE HE1 . 30221 1 395 . 1 1 34 34 PHE HZ H 1 6.7040 0.0000 . 1 . . . . A 34 PHE HZ . 30221 1 396 . 1 1 34 34 PHE C C 13 174.8460 0.0000 . 1 . . . . A 34 PHE C . 30221 1 397 . 1 1 34 34 PHE CA C 13 57.9950 0.0000 . 1 . . . . A 34 PHE CA . 30221 1 398 . 1 1 34 34 PHE CB C 13 39.8140 0.0000 . 1 . . . . A 34 PHE CB . 30221 1 399 . 1 1 34 34 PHE CD1 C 13 129.9040 0.0000 . 3 . . . . A 34 PHE CD1 . 30221 1 400 . 1 1 34 34 PHE CE1 C 13 127.9210 0.0000 . 3 . . . . A 34 PHE CE1 . 30221 1 401 . 1 1 34 34 PHE CZ C 13 115.6590 0.0000 . 1 . . . . A 34 PHE CZ . 30221 1 402 . 1 1 34 34 PHE N N 15 116.7930 0.0000 . 1 . . . . A 34 PHE N . 30221 1 403 . 1 1 35 35 ASN H H 1 8.3060 0.0000 . 1 . . . . A 35 ASN H . 30221 1 404 . 1 1 35 35 ASN HA H 1 4.9490 0.0000 . 1 . . . . A 35 ASN HA . 30221 1 405 . 1 1 35 35 ASN HB2 H 1 2.9780 0.0000 . 2 . . . . A 35 ASN HB2 . 30221 1 406 . 1 1 35 35 ASN HD21 H 1 7.5120 0.0000 . 2 . . . . A 35 ASN HD21 . 30221 1 407 . 1 1 35 35 ASN HD22 H 1 6.7960 0.0000 . 2 . . . . A 35 ASN HD22 . 30221 1 408 . 1 1 35 35 ASN C C 13 175.5980 0.0000 . 1 . . . . A 35 ASN C . 30221 1 409 . 1 1 35 35 ASN CA C 13 53.5910 0.0000 . 1 . . . . A 35 ASN CA . 30221 1 410 . 1 1 35 35 ASN CB C 13 39.7090 0.0000 . 1 . . . . A 35 ASN CB . 30221 1 411 . 1 1 35 35 ASN N N 15 119.2340 0.0000 . 1 . . . . A 35 ASN N . 30221 1 412 . 1 1 35 35 ASN ND2 N 15 112.9320 0.0000 . 1 . . . . A 35 ASN ND2 . 30221 1 413 . 1 1 36 36 ASP H H 1 8.5890 0.0000 . 1 . . . . A 36 ASP H . 30221 1 414 . 1 1 36 36 ASP HA H 1 4.6080 0.0000 . 1 . . . . A 36 ASP HA . 30221 1 415 . 1 1 36 36 ASP HB2 H 1 2.7530 0.0000 . 2 . . . . A 36 ASP HB2 . 30221 1 416 . 1 1 36 36 ASP C C 13 176.4000 0.0000 . 1 . . . . A 36 ASP C . 30221 1 417 . 1 1 36 36 ASP CA C 13 55.2000 0.0000 . 1 . . . . A 36 ASP CA . 30221 1 418 . 1 1 36 36 ASP CB C 13 40.7010 0.0000 . 1 . . . . A 36 ASP CB . 30221 1 419 . 1 1 36 36 ASP N N 15 120.3140 0.0000 . 1 . . . . A 36 ASP N . 30221 1 420 . 1 1 37 37 ASN H H 1 8.3680 0.0000 . 1 . . . . A 37 ASN H . 30221 1 421 . 1 1 37 37 ASN HA H 1 4.7110 0.0000 . 1 . . . . A 37 ASN HA . 30221 1 422 . 1 1 37 37 ASN HB2 H 1 2.8380 0.0000 . 2 . . . . A 37 ASN HB2 . 30221 1 423 . 1 1 37 37 ASN HD21 H 1 7.5190 0.0000 . 2 . . . . A 37 ASN HD21 . 30221 1 424 . 1 1 37 37 ASN HD22 H 1 6.7090 0.0000 . 2 . . . . A 37 ASN HD22 . 30221 1 425 . 1 1 37 37 ASN C C 13 175.6940 0.0000 . 1 . . . . A 37 ASN C . 30221 1 426 . 1 1 37 37 ASN CA C 13 53.9310 0.0000 . 1 . . . . A 37 ASN CA . 30221 1 427 . 1 1 37 37 ASN CB C 13 38.7980 0.0000 . 1 . . . . A 37 ASN CB . 30221 1 428 . 1 1 37 37 ASN N N 15 117.3450 0.0000 . 1 . . . . A 37 ASN N . 30221 1 429 . 1 1 37 37 ASN ND2 N 15 112.6140 0.0000 . 1 . . . . A 37 ASN ND2 . 30221 1 430 . 1 1 38 38 GLY H H 1 8.2860 0.0000 . 1 . . . . A 38 GLY H . 30221 1 431 . 1 1 38 38 GLY HA2 H 1 4.0060 0.0000 . 2 . . . . A 38 GLY HA2 . 30221 1 432 . 1 1 38 38 GLY C C 13 174.1690 0.0000 . 1 . . . . A 38 GLY C . 30221 1 433 . 1 1 38 38 GLY CA C 13 45.9100 0.0000 . 1 . . . . A 38 GLY CA . 30221 1 434 . 1 1 38 38 GLY N N 15 107.6130 0.0000 . 1 . . . . A 38 GLY N . 30221 1 435 . 1 1 39 39 ILE H H 1 8.0950 0.0000 . 1 . . . . A 39 ILE H . 30221 1 436 . 1 1 39 39 ILE HA H 1 4.3080 0.0000 . 1 . . . . A 39 ILE HA . 30221 1 437 . 1 1 39 39 ILE HB H 1 1.9720 0.0000 . 1 . . . . A 39 ILE HB . 30221 1 438 . 1 1 39 39 ILE HG12 H 1 1.5240 0.0000 . 2 . . . . A 39 ILE HG12 . 30221 1 439 . 1 1 39 39 ILE HG13 H 1 1.1290 0.0000 . 2 . . . . A 39 ILE HG13 . 30221 1 440 . 1 1 39 39 ILE HG21 H 1 0.8840 0.0000 . 1 . . . . A 39 ILE HG21 . 30221 1 441 . 1 1 39 39 ILE HG22 H 1 0.8840 0.0000 . 1 . . . . A 39 ILE HG22 . 30221 1 442 . 1 1 39 39 ILE HG23 H 1 0.8840 0.0000 . 1 . . . . A 39 ILE HG23 . 30221 1 443 . 1 1 39 39 ILE HD11 H 1 0.7340 0.0000 . 1 . . . . A 39 ILE HD11 . 30221 1 444 . 1 1 39 39 ILE HD12 H 1 0.7340 0.0000 . 1 . . . . A 39 ILE HD12 . 30221 1 445 . 1 1 39 39 ILE HD13 H 1 0.7340 0.0000 . 1 . . . . A 39 ILE HD13 . 30221 1 446 . 1 1 39 39 ILE C C 13 174.7810 0.0000 . 1 . . . . A 39 ILE C . 30221 1 447 . 1 1 39 39 ILE CA C 13 60.7620 0.0000 . 1 . . . . A 39 ILE CA . 30221 1 448 . 1 1 39 39 ILE CB C 13 39.0520 0.0000 . 1 . . . . A 39 ILE CB . 30221 1 449 . 1 1 39 39 ILE CG1 C 13 27.6180 0.0000 . 1 . . . . A 39 ILE CG1 . 30221 1 450 . 1 1 39 39 ILE CG2 C 13 17.0810 0.0000 . 1 . . . . A 39 ILE CG2 . 30221 1 451 . 1 1 39 39 ILE CD1 C 13 13.1660 0.0000 . 1 . . . . A 39 ILE CD1 . 30221 1 452 . 1 1 39 39 ILE N N 15 121.8920 0.0000 . 1 . . . . A 39 ILE N . 30221 1 453 . 1 1 40 40 ASP H H 1 8.7820 0.0000 . 1 . . . . A 40 ASP H . 30221 1 454 . 1 1 40 40 ASP HA H 1 4.9390 0.0000 . 1 . . . . A 40 ASP HA . 30221 1 455 . 1 1 40 40 ASP HB2 H 1 2.8520 0.0000 . 2 . . . . A 40 ASP HB2 . 30221 1 456 . 1 1 40 40 ASP HB3 H 1 2.6470 0.0000 . 2 . . . . A 40 ASP HB3 . 30221 1 457 . 1 1 40 40 ASP C C 13 175.3920 0.0000 . 1 . . . . A 40 ASP C . 30221 1 458 . 1 1 40 40 ASP CA C 13 53.5560 0.0000 . 1 . . . . A 40 ASP CA . 30221 1 459 . 1 1 40 40 ASP CB C 13 41.1880 0.0000 . 1 . . . . A 40 ASP CB . 30221 1 460 . 1 1 40 40 ASP N N 15 127.4060 0.0000 . 1 . . . . A 40 ASP N . 30221 1 461 . 1 1 41 41 GLY H H 1 8.0370 0.0000 . 1 . . . . A 41 GLY H . 30221 1 462 . 1 1 41 41 GLY HA2 H 1 4.4190 0.0000 . 2 . . . . A 41 GLY HA2 . 30221 1 463 . 1 1 41 41 GLY HA3 H 1 3.6910 0.0000 . 2 . . . . A 41 GLY HA3 . 30221 1 464 . 1 1 41 41 GLY C C 13 172.4680 0.0000 . 1 . . . . A 41 GLY C . 30221 1 465 . 1 1 41 41 GLY CA C 13 44.9990 0.0000 . 1 . . . . A 41 GLY CA . 30221 1 466 . 1 1 41 41 GLY N N 15 107.7200 0.0000 . 1 . . . . A 41 GLY N . 30221 1 467 . 1 1 42 42 GLU H H 1 8.2800 0.0000 . 1 . . . . A 42 GLU H . 30221 1 468 . 1 1 42 42 GLU HA H 1 3.8020 0.0000 . 1 . . . . A 42 GLU HA . 30221 1 469 . 1 1 42 42 GLU HB2 H 1 2.1270 0.0000 . 2 . . . . A 42 GLU HB2 . 30221 1 470 . 1 1 42 42 GLU HB3 H 1 2.0350 0.0000 . 2 . . . . A 42 GLU HB3 . 30221 1 471 . 1 1 42 42 GLU HG2 H 1 2.3830 0.0000 . 2 . . . . A 42 GLU HG2 . 30221 1 472 . 1 1 42 42 GLU HG3 H 1 2.2340 0.0000 . 2 . . . . A 42 GLU HG3 . 30221 1 473 . 1 1 42 42 GLU C C 13 176.5990 0.0000 . 1 . . . . A 42 GLU C . 30221 1 474 . 1 1 42 42 GLU CA C 13 55.5960 0.0000 . 1 . . . . A 42 GLU CA . 30221 1 475 . 1 1 42 42 GLU CB C 13 31.9170 0.0000 . 1 . . . . A 42 GLU CB . 30221 1 476 . 1 1 42 42 GLU CG C 13 36.3960 0.0000 . 1 . . . . A 42 GLU CG . 30221 1 477 . 1 1 42 42 GLU N N 15 120.5530 0.0000 . 1 . . . . A 42 GLU N . 30221 1 478 . 1 1 43 43 TRP H H 1 9.3610 0.0000 . 1 . . . . A 43 TRP H . 30221 1 479 . 1 1 43 43 TRP HA H 1 5.5380 0.0000 . 1 . . . . A 43 TRP HA . 30221 1 480 . 1 1 43 43 TRP HB2 H 1 3.2650 0.0000 . 2 . . . . A 43 TRP HB2 . 30221 1 481 . 1 1 43 43 TRP HD1 H 1 7.4530 0.0000 . 1 . . . . A 43 TRP HD1 . 30221 1 482 . 1 1 43 43 TRP HE1 H 1 10.5200 0.0000 . 1 . . . . A 43 TRP HE1 . 30221 1 483 . 1 1 43 43 TRP HE3 H 1 6.5670 0.0000 . 1 . . . . A 43 TRP HE3 . 30221 1 484 . 1 1 43 43 TRP HZ2 H 1 7.4220 0.0000 . 1 . . . . A 43 TRP HZ2 . 30221 1 485 . 1 1 43 43 TRP HZ3 H 1 6.8170 0.0000 . 1 . . . . A 43 TRP HZ3 . 30221 1 486 . 1 1 43 43 TRP HH2 H 1 6.9580 0.0000 . 1 . . . . A 43 TRP HH2 . 30221 1 487 . 1 1 43 43 TRP C C 13 177.1510 0.0000 . 1 . . . . A 43 TRP C . 30221 1 488 . 1 1 43 43 TRP CA C 13 57.1890 0.0000 . 1 . . . . A 43 TRP CA . 30221 1 489 . 1 1 43 43 TRP CB C 13 29.6100 0.0000 . 1 . . . . A 43 TRP CB . 30221 1 490 . 1 1 43 43 TRP CD1 C 13 123.7070 0.0000 . 1 . . . . A 43 TRP CD1 . 30221 1 491 . 1 1 43 43 TRP CE3 C 13 118.3650 0.0000 . 1 . . . . A 43 TRP CE3 . 30221 1 492 . 1 1 43 43 TRP CZ2 C 13 112.4000 0.0000 . 1 . . . . A 43 TRP CZ2 . 30221 1 493 . 1 1 43 43 TRP CZ3 C 13 120.8210 0.0000 . 1 . . . . A 43 TRP CZ3 . 30221 1 494 . 1 1 43 43 TRP CH2 C 13 117.6020 0.0000 . 1 . . . . A 43 TRP CH2 . 30221 1 495 . 1 1 43 43 TRP N N 15 128.5070 0.0000 . 1 . . . . A 43 TRP N . 30221 1 496 . 1 1 43 43 TRP NE1 N 15 130.8640 0.0000 . 1 . . . . A 43 TRP NE1 . 30221 1 497 . 1 1 44 44 THR H H 1 9.2220 0.0000 . 1 . . . . A 44 THR H . 30221 1 498 . 1 1 44 44 THR HA H 1 4.8800 0.0000 . 1 . . . . A 44 THR HA . 30221 1 499 . 1 1 44 44 THR HB H 1 4.2850 0.0000 . 1 . . . . A 44 THR HB . 30221 1 500 . 1 1 44 44 THR HG21 H 1 1.2270 0.0000 . 1 . . . . A 44 THR HG21 . 30221 1 501 . 1 1 44 44 THR HG22 H 1 1.2270 0.0000 . 1 . . . . A 44 THR HG22 . 30221 1 502 . 1 1 44 44 THR HG23 H 1 1.2270 0.0000 . 1 . . . . A 44 THR HG23 . 30221 1 503 . 1 1 44 44 THR C C 13 172.9170 0.0000 . 1 . . . . A 44 THR C . 30221 1 504 . 1 1 44 44 THR CA C 13 60.5330 0.0000 . 1 . . . . A 44 THR CA . 30221 1 505 . 1 1 44 44 THR CB C 13 72.1830 0.0000 . 1 . . . . A 44 THR CB . 30221 1 506 . 1 1 44 44 THR CG2 C 13 22.1040 0.0000 . 1 . . . . A 44 THR CG2 . 30221 1 507 . 1 1 44 44 THR N N 15 115.1240 0.0000 . 1 . . . . A 44 THR N . 30221 1 508 . 1 1 45 45 TYR H H 1 8.6240 0.0000 . 1 . . . . A 45 TYR H . 30221 1 509 . 1 1 45 45 TYR HA H 1 5.0010 0.0000 . 1 . . . . A 45 TYR HA . 30221 1 510 . 1 1 45 45 TYR HB2 H 1 2.9940 0.0000 . 2 . . . . A 45 TYR HB2 . 30221 1 511 . 1 1 45 45 TYR HB3 H 1 2.5620 0.0000 . 2 . . . . A 45 TYR HB3 . 30221 1 512 . 1 1 45 45 TYR HD1 H 1 7.4430 0.0000 . 3 . . . . A 45 TYR HD1 . 30221 1 513 . 1 1 45 45 TYR HE1 H 1 6.3990 0.0000 . 3 . . . . A 45 TYR HE1 . 30221 1 514 . 1 1 45 45 TYR C C 13 173.2280 0.0000 . 1 . . . . A 45 TYR C . 30221 1 515 . 1 1 45 45 TYR CA C 13 57.1740 0.0000 . 1 . . . . A 45 TYR CA . 30221 1 516 . 1 1 45 45 TYR CB C 13 41.6420 0.0000 . 1 . . . . A 45 TYR CB . 30221 1 517 . 1 1 45 45 TYR CD1 C 13 129.6020 0.0000 . 3 . . . . A 45 TYR CD1 . 30221 1 518 . 1 1 45 45 TYR CE1 C 13 114.7820 0.0000 . 3 . . . . A 45 TYR CE1 . 30221 1 519 . 1 1 45 45 TYR N N 15 120.5530 0.0000 . 1 . . . . A 45 TYR N . 30221 1 520 . 1 1 46 46 ASP H H 1 7.6960 0.0000 . 1 . . . . A 46 ASP H . 30221 1 521 . 1 1 46 46 ASP HA H 1 4.6210 0.0000 . 1 . . . . A 46 ASP HA . 30221 1 522 . 1 1 46 46 ASP HB2 H 1 2.6220 0.0000 . 2 . . . . A 46 ASP HB2 . 30221 1 523 . 1 1 46 46 ASP HB3 H 1 2.2670 0.0000 . 2 . . . . A 46 ASP HB3 . 30221 1 524 . 1 1 46 46 ASP C C 13 174.5030 0.0000 . 1 . . . . A 46 ASP C . 30221 1 525 . 1 1 46 46 ASP CA C 13 51.9390 0.0000 . 1 . . . . A 46 ASP CA . 30221 1 526 . 1 1 46 46 ASP CB C 13 43.1420 0.0000 . 1 . . . . A 46 ASP CB . 30221 1 527 . 1 1 46 46 ASP N N 15 128.6570 0.0000 . 1 . . . . A 46 ASP N . 30221 1 528 . 1 1 47 47 ASP H H 1 8.5470 0.0000 . 1 . . . . A 47 ASP H . 30221 1 529 . 1 1 47 47 ASP HA H 1 4.1930 0.0000 . 1 . . . . A 47 ASP HA . 30221 1 530 . 1 1 47 47 ASP HB2 H 1 2.8500 0.0000 . 2 . . . . A 47 ASP HB2 . 30221 1 531 . 1 1 47 47 ASP HB3 H 1 2.5620 0.0000 . 2 . . . . A 47 ASP HB3 . 30221 1 532 . 1 1 47 47 ASP C C 13 178.1330 0.0000 . 1 . . . . A 47 ASP C . 30221 1 533 . 1 1 47 47 ASP CA C 13 56.3390 0.0000 . 1 . . . . A 47 ASP CA . 30221 1 534 . 1 1 47 47 ASP CB C 13 42.2300 0.0000 . 1 . . . . A 47 ASP CB . 30221 1 535 . 1 1 47 47 ASP N N 15 124.9980 0.0000 . 1 . . . . A 47 ASP N . 30221 1 536 . 1 1 48 48 ALA H H 1 8.3050 0.0000 . 1 . . . . A 48 ALA H . 30221 1 537 . 1 1 48 48 ALA HA H 1 4.1280 0.0000 . 1 . . . . A 48 ALA HA . 30221 1 538 . 1 1 48 48 ALA HB1 H 1 1.5320 0.0000 . 1 . . . . A 48 ALA HB1 . 30221 1 539 . 1 1 48 48 ALA HB2 H 1 1.5320 0.0000 . 1 . . . . A 48 ALA HB2 . 30221 1 540 . 1 1 48 48 ALA HB3 H 1 1.5320 0.0000 . 1 . . . . A 48 ALA HB3 . 30221 1 541 . 1 1 48 48 ALA C C 13 179.8650 0.0000 . 1 . . . . A 48 ALA C . 30221 1 542 . 1 1 48 48 ALA CA C 13 55.0790 0.0000 . 1 . . . . A 48 ALA CA . 30221 1 543 . 1 1 48 48 ALA CB C 13 18.3390 0.0000 . 1 . . . . A 48 ALA CB . 30221 1 544 . 1 1 48 48 ALA N N 15 119.7500 0.0000 . 1 . . . . A 48 ALA N . 30221 1 545 . 1 1 49 49 THR H H 1 6.9930 0.0000 . 1 . . . . A 49 THR H . 30221 1 546 . 1 1 49 49 THR HA H 1 4.8280 0.0000 . 1 . . . . A 49 THR HA . 30221 1 547 . 1 1 49 49 THR HB H 1 4.4310 0.0000 . 1 . . . . A 49 THR HB . 30221 1 548 . 1 1 49 49 THR HG21 H 1 1.1000 0.0000 . 1 . . . . A 49 THR HG21 . 30221 1 549 . 1 1 49 49 THR HG22 H 1 1.1000 0.0000 . 1 . . . . A 49 THR HG22 . 30221 1 550 . 1 1 49 49 THR HG23 H 1 1.1000 0.0000 . 1 . . . . A 49 THR HG23 . 30221 1 551 . 1 1 49 49 THR C C 13 175.3330 0.0000 . 1 . . . . A 49 THR C . 30221 1 552 . 1 1 49 49 THR CA C 13 60.4480 0.0000 . 1 . . . . A 49 THR CA . 30221 1 553 . 1 1 49 49 THR CB C 13 70.3290 0.0000 . 1 . . . . A 49 THR CB . 30221 1 554 . 1 1 49 49 THR CG2 C 13 21.1990 0.0000 . 1 . . . . A 49 THR CG2 . 30221 1 555 . 1 1 49 49 THR N N 15 104.736 0.0000 . 1 . . . . A 49 THR N . 30221 1 556 . 1 1 50 50 LYS H H 1 7.8390 0.0000 . 1 . . . . A 50 LYS H . 30221 1 557 . 1 1 50 50 LYS HA H 1 4.2030 0.0000 . 1 . . . . A 50 LYS HA . 30221 1 558 . 1 1 50 50 LYS HB2 H 1 1.9980 0.0000 . 2 . . . . A 50 LYS HB2 . 30221 1 559 . 1 1 50 50 LYS HG2 H 1 1.2050 0.0000 . 2 . . . . A 50 LYS HG2 . 30221 1 560 . 1 1 50 50 LYS HD2 H 1 1.5060 0.0000 . 2 . . . . A 50 LYS HD2 . 30221 1 561 . 1 1 50 50 LYS HD3 H 1 1.3510 0.0000 . 2 . . . . A 50 LYS HD3 . 30221 1 562 . 1 1 50 50 LYS HE2 H 1 2.9840 0.0000 . 2 . . . . A 50 LYS HE2 . 30221 1 563 . 1 1 50 50 LYS C C 13 174.8720 0.0000 . 1 . . . . A 50 LYS C . 30221 1 564 . 1 1 50 50 LYS CA C 13 56.8250 0.0000 . 1 . . . . A 50 LYS CA . 30221 1 565 . 1 1 50 50 LYS CB C 13 29.2370 0.0000 . 1 . . . . A 50 LYS CB . 30221 1 566 . 1 1 50 50 LYS CG C 13 24.6960 0.0000 . 1 . . . . A 50 LYS CG . 30221 1 567 . 1 1 50 50 LYS CD C 13 28.3170 0.0000 . 1 . . . . A 50 LYS CD . 30221 1 568 . 1 1 50 50 LYS CE C 13 42.7820 0.0000 . 1 . . . . A 50 LYS CE . 30221 1 569 . 1 1 50 50 LYS N N 15 123.7630 0.0000 . 1 . . . . A 50 LYS N . 30221 1 570 . 1 1 51 51 THR H H 1 7.3480 0.0000 . 1 . . . . A 51 THR H . 30221 1 571 . 1 1 51 51 THR HA H 1 5.5650 0.0000 . 1 . . . . A 51 THR HA . 30221 1 572 . 1 1 51 51 THR HB H 1 3.8020 0.0000 . 1 . . . . A 51 THR HB . 30221 1 573 . 1 1 51 51 THR HG21 H 1 1.0590 0.0000 . 1 . . . . A 51 THR HG21 . 30221 1 574 . 1 1 51 51 THR HG22 H 1 1.0590 0.0000 . 1 . . . . A 51 THR HG22 . 30221 1 575 . 1 1 51 51 THR HG23 H 1 1.0590 0.0000 . 1 . . . . A 51 THR HG23 . 30221 1 576 . 1 1 51 51 THR C C 13 174.8040 0.0000 . 1 . . . . A 51 THR C . 30221 1 577 . 1 1 51 51 THR CA C 13 62.1610 0.0000 . 1 . . . . A 51 THR CA . 30221 1 578 . 1 1 51 51 THR CB C 13 72.4110 0.0000 . 1 . . . . A 51 THR CB . 30221 1 579 . 1 1 51 51 THR CG2 C 13 20.8880 0.0000 . 1 . . . . A 51 THR CG2 . 30221 1 580 . 1 1 51 51 THR N N 15 111.2330 0.0000 . 1 . . . . A 51 THR N . 30221 1 581 . 1 1 52 52 PHE H H 1 10.5170 0.0000 . 1 . . . . A 52 PHE H . 30221 1 582 . 1 1 52 52 PHE HA H 1 5.7670 0.0000 . 1 . . . . A 52 PHE HA . 30221 1 583 . 1 1 52 52 PHE HB2 H 1 3.1520 0.0000 . 2 . . . . A 52 PHE HB2 . 30221 1 584 . 1 1 52 52 PHE HB3 H 1 3.0740 0.0000 . 2 . . . . A 52 PHE HB3 . 30221 1 585 . 1 1 52 52 PHE HD1 H 1 7.8160 0.0000 . 3 . . . . A 52 PHE HD1 . 30221 1 586 . 1 1 52 52 PHE HE1 H 1 7.1720 0.0000 . 3 . . . . A 52 PHE HE1 . 30221 1 587 . 1 1 52 52 PHE HZ H 1 6.8160 0.0000 . 1 . . . . A 52 PHE HZ . 30221 1 588 . 1 1 52 52 PHE C C 13 174.6560 0.0000 . 1 . . . . A 52 PHE C . 30221 1 589 . 1 1 52 52 PHE CA C 13 57.1100 0.0000 . 1 . . . . A 52 PHE CA . 30221 1 590 . 1 1 52 52 PHE CB C 13 42.9530 0.0000 . 1 . . . . A 52 PHE CB . 30221 1 591 . 1 1 52 52 PHE CD1 C 13 130.0410 0.0000 . 3 . . . . A 52 PHE CD1 . 30221 1 592 . 1 1 52 52 PHE CE1 C 13 128.2630 0.0000 . 3 . . . . A 52 PHE CE1 . 30221 1 593 . 1 1 52 52 PHE CZ C 13 128.1980 0.0000 . 1 . . . . A 52 PHE CZ . 30221 1 594 . 1 1 52 52 PHE N N 15 131.4950 0.0000 . 1 . . . . A 52 PHE N . 30221 1 595 . 1 1 53 53 THR H H 1 9.0870 0.0000 . 1 . . . . A 53 THR H . 30221 1 596 . 1 1 53 53 THR HA H 1 5.2340 0.0000 . 1 . . . . A 53 THR HA . 30221 1 597 . 1 1 53 53 THR HB H 1 3.8160 0.0000 . 1 . . . . A 53 THR HB . 30221 1 598 . 1 1 53 53 THR HG21 H 1 0.9910 0.0000 . 1 . . . . A 53 THR HG21 . 30221 1 599 . 1 1 53 53 THR HG22 H 1 0.9910 0.0000 . 1 . . . . A 53 THR HG22 . 30221 1 600 . 1 1 53 53 THR HG23 H 1 0.9910 0.0000 . 1 . . . . A 53 THR HG23 . 30221 1 601 . 1 1 53 53 THR C C 13 173.0210 0.0000 . 1 . . . . A 53 THR C . 30221 1 602 . 1 1 53 53 THR CA C 13 61.8200 0.0000 . 1 . . . . A 53 THR CA . 30221 1 603 . 1 1 53 53 THR CB C 13 71.5650 0.0000 . 1 . . . . A 53 THR CB . 30221 1 604 . 1 1 53 53 THR CG2 C 13 20.7500 0.0000 . 1 . . . . A 53 THR CG2 . 30221 1 605 . 1 1 53 53 THR N N 15 116.9850 0.0000 . 1 . . . . A 53 THR N . 30221 1 606 . 1 1 54 54 ILE H H 1 8.3680 0.0000 . 1 . . . . A 54 ILE H . 30221 1 607 . 1 1 54 54 ILE HA H 1 4.4850 0.0000 . 1 . . . . A 54 ILE HA . 30221 1 608 . 1 1 54 54 ILE HB H 1 0.6270 0.0000 . 1 . . . . A 54 ILE HB . 30221 1 609 . 1 1 54 54 ILE HG12 H 1 0.4680 0.0000 . 2 . . . . A 54 ILE HG12 . 30221 1 610 . 1 1 54 54 ILE HG13 H 1 -0.4330 0.0000 . 2 . . . . A 54 ILE HG13 . 30221 1 611 . 1 1 54 54 ILE HG21 H 1 0.3760 0.0000 . 1 . . . . A 54 ILE HG21 . 30221 1 612 . 1 1 54 54 ILE HG22 H 1 0.3760 0.0000 . 1 . . . . A 54 ILE HG22 . 30221 1 613 . 1 1 54 54 ILE HG23 H 1 0.3760 0.0000 . 1 . . . . A 54 ILE HG23 . 30221 1 614 . 1 1 54 54 ILE HD11 H 1 0.1730 0.0000 . 1 . . . . A 54 ILE HD11 . 30221 1 615 . 1 1 54 54 ILE HD12 H 1 0.1730 0.0000 . 1 . . . . A 54 ILE HD12 . 30221 1 616 . 1 1 54 54 ILE HD13 H 1 0.1730 0.0000 . 1 . . . . A 54 ILE HD13 . 30221 1 617 . 1 1 54 54 ILE C C 13 174.2570 0.0000 . 1 . . . . A 54 ILE C . 30221 1 618 . 1 1 54 54 ILE CA C 13 58.9880 0.0000 . 1 . . . . A 54 ILE CA . 30221 1 619 . 1 1 54 54 ILE CB C 13 39.8930 0.0000 . 1 . . . . A 54 ILE CB . 30221 1 620 . 1 1 54 54 ILE CG1 C 13 26.3800 0.0000 . 1 . . . . A 54 ILE CG1 . 30221 1 621 . 1 1 54 54 ILE CG2 C 13 16.7550 0.0000 . 1 . . . . A 54 ILE CG2 . 30221 1 622 . 1 1 54 54 ILE CD1 C 13 13.9950 0.0000 . 1 . . . . A 54 ILE CD1 . 30221 1 623 . 1 1 54 54 ILE N N 15 124.0080 0.0000 . 1 . . . . A 54 ILE N . 30221 1 624 . 1 1 55 55 THR H H 1 8.4480 0.0000 . 1 . . . . A 55 THR H . 30221 1 625 . 1 1 55 55 THR HA H 1 4.7350 0.0000 . 1 . . . . A 55 THR HA . 30221 1 626 . 1 1 55 55 THR HB H 1 3.9790 0.0000 . 1 . . . . A 55 THR HB . 30221 1 627 . 1 1 55 55 THR HG21 H 1 1.2790 0.0000 . 1 . . . . A 55 THR HG21 . 30221 1 628 . 1 1 55 55 THR HG22 H 1 1.2790 0.0000 . 1 . . . . A 55 THR HG22 . 30221 1 629 . 1 1 55 55 THR HG23 H 1 1.2790 0.0000 . 1 . . . . A 55 THR HG23 . 30221 1 630 . 1 1 55 55 THR C C 13 173.6770 0.0000 . 1 . . . . A 55 THR C . 30221 1 631 . 1 1 55 55 THR CA C 13 61.6070 0.0000 . 1 . . . . A 55 THR CA . 30221 1 632 . 1 1 55 55 THR CB C 13 70.5680 0.0000 . 1 . . . . A 55 THR CB . 30221 1 633 . 1 1 55 55 THR CG2 C 13 21.2690 0.0000 . 1 . . . . A 55 THR CG2 . 30221 1 634 . 1 1 55 55 THR N N 15 123.4510 0.0000 . 1 . . . . A 55 THR N . 30221 1 635 . 1 1 56 56 GLU H H 1 7.7870 0.0000 . 1 . . . . A 56 GLU H . 30221 1 636 . 1 1 56 56 GLU HA H 1 4.3590 0.0000 . 1 . . . . A 56 GLU HA . 30221 1 637 . 1 1 56 56 GLU HB2 H 1 2.2130 0.0000 . 2 . . . . A 56 GLU HB2 . 30221 1 638 . 1 1 56 56 GLU HB3 H 1 1.8870 0.0000 . 2 . . . . A 56 GLU HB3 . 30221 1 639 . 1 1 56 56 GLU HG2 H 1 2.3230 0.0000 . 2 . . . . A 56 GLU HG2 . 30221 1 640 . 1 1 56 56 GLU CA C 13 57.9540 0.0000 . 1 . . . . A 56 GLU CA . 30221 1 641 . 1 1 56 56 GLU CB C 13 33.0380 0.0000 . 1 . . . . A 56 GLU CB . 30221 1 642 . 1 1 56 56 GLU CG C 13 37.3110 0.0000 . 1 . . . . A 56 GLU CG . 30221 1 643 . 1 1 56 56 GLU N N 15 133.0270 0.0000 . 1 . . . . A 56 GLU N . 30221 1 stop_ save_