################################### # 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 31268 _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 CBCA(CO)NH' . . . 31268 1 2 '3D HBHA(CO)NH' . . . 31268 1 3 '3D HNCO' . . . 31268 1 4 '3D HNCA' . . . 31268 1 5 '2D HSQC' . . . 31268 1 6 '3D HNCACB' . . . 31268 1 7 '3D HBHACO' . . . 31268 1 8 '3D NOESY' . . . 31268 1 9 '3D NOESY' . . . 31268 1 10 '3D HCCH-TOCSY' . . . 31268 1 11 HMQC . . . 31268 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 HA H 1 4.609 0.02 1.000 1 . . . . A 1 MET HA . 31268 1 2 . 1 . 1 1 1 MET HB2 H 1 2.383 0.02 1.000 2 . . . . A 1 MET HB2 . 31268 1 3 . 1 . 1 1 1 MET HB3 H 1 2.383 0.02 1.000 2 . . . . A 1 MET HB3 . 31268 1 4 . 1 . 1 1 1 MET HG2 H 1 2.590 0.02 1.000 2 . . . . A 1 MET HG2 . 31268 1 5 . 1 . 1 1 1 MET HG3 H 1 2.660 0.02 1.000 2 . . . . A 1 MET HG3 . 31268 1 6 . 1 . 1 1 1 MET C C 13 180.334 0.20 0.414 1 . . . . A 1 MET C . 31268 1 7 . 1 . 1 1 1 MET CA C 13 55.900 0.20 0.550 1 . . . . A 1 MET CA . 31268 1 8 . 1 . 1 1 1 MET CB C 13 33.967 0.20 1.000 1 . . . . A 1 MET CB . 31268 1 9 . 1 . 1 1 1 MET CG C 13 30.800 0.20 1.000 1 . . . . A 1 MET CG . 31268 1 10 . 1 . 1 2 2 ASN H H 1 6.878 0.02 0.414 1 . . . . A 2 ASN H . 31268 1 11 . 1 . 1 2 2 ASN HA H 1 4.783 0.02 1.000 1 . . . . A 2 ASN HA . 31268 1 12 . 1 . 1 2 2 ASN HB2 H 1 2.844 0.02 1.000 2 . . . . A 2 ASN HB2 . 31268 1 13 . 1 . 1 2 2 ASN HB3 H 1 2.844 0.02 1.000 2 . . . . A 2 ASN HB3 . 31268 1 14 . 1 . 1 2 2 ASN C C 13 174.942 0.20 1.000 1 . . . . A 2 ASN C . 31268 1 15 . 1 . 1 2 2 ASN CA C 13 53.263 0.20 1.000 1 . . . . A 2 ASN CA . 31268 1 16 . 1 . 1 2 2 ASN CB C 13 39.040 0.20 1.000 1 . . . . A 2 ASN CB . 31268 1 17 . 1 . 1 2 2 ASN N N 15 112.511 0.20 0.414 1 . . . . A 2 ASN N . 31268 1 18 . 1 . 1 3 3 GLN H H 1 8.665 0.02 1.000 1 . . . . A 3 GLN H . 31268 1 19 . 1 . 1 3 3 GLN HA H 1 4.343 0.02 1.000 1 . . . . A 3 GLN HA . 31268 1 20 . 1 . 1 3 3 GLN HB2 H 1 2.101 0.02 1.000 2 . . . . A 3 GLN HB2 . 31268 1 21 . 1 . 1 3 3 GLN HB3 H 1 2.020 0.02 1.000 2 . . . . A 3 GLN HB3 . 31268 1 22 . 1 . 1 3 3 GLN HG2 H 1 2.410 0.02 0.663 2 . . . . A 3 GLN HG2 . 31268 1 23 . 1 . 1 3 3 GLN HG3 H 1 2.390 0.02 1.000 2 . . . . A 3 GLN HG3 . 31268 1 24 . 1 . 1 3 3 GLN C C 13 176.250 0.20 1.000 1 . . . . A 3 GLN C . 31268 1 25 . 1 . 1 3 3 GLN CA C 13 56.506 0.20 1.000 1 . . . . A 3 GLN CA . 31268 1 26 . 1 . 1 3 3 GLN CB C 13 29.523 0.20 1.000 1 . . . . A 3 GLN CB . 31268 1 27 . 1 . 1 3 3 GLN CG C 13 33.900 0.20 0.698 1 . . . . A 3 GLN CG . 31268 1 28 . 1 . 1 3 3 GLN N N 15 121.606 0.20 1.000 1 . . . . A 3 GLN N . 31268 1 29 . 1 . 1 4 4 SER H H 1 8.463 0.02 1.000 1 . . . . A 4 SER H . 31268 1 30 . 1 . 1 4 4 SER HA H 1 4.409 0.02 0.615 1 . . . . A 4 SER HA . 31268 1 31 . 1 . 1 4 4 SER HB2 H 1 3.928 0.02 1.000 2 . . . . A 4 SER HB2 . 31268 1 32 . 1 . 1 4 4 SER HB3 H 1 3.900 0.02 0.569 2 . . . . A 4 SER HB3 . 31268 1 33 . 1 . 1 4 4 SER C C 13 174.852 0.20 0.524 1 . . . . A 4 SER C . 31268 1 34 . 1 . 1 4 4 SER CA C 13 59.139 0.20 1.000 1 . . . . A 4 SER CA . 31268 1 35 . 1 . 1 4 4 SER CB C 13 63.491 0.20 1.000 1 . . . . A 4 SER CB . 31268 1 36 . 1 . 1 4 4 SER N N 15 116.754 0.20 1.000 1 . . . . A 4 SER N . 31268 1 37 . 1 . 1 5 5 GLN H H 1 8.305 0.02 0.524 1 . . . . A 5 GLN H . 31268 1 38 . 1 . 1 5 5 GLN HA H 1 3.790 0.02 0.836 1 . . . . A 5 GLN HA . 31268 1 39 . 1 . 1 5 5 GLN HB2 H 1 2.058 0.02 1.000 2 . . . . A 5 GLN HB2 . 31268 1 40 . 1 . 1 5 5 GLN HB3 H 1 2.020 0.02 0.639 2 . . . . A 5 GLN HB3 . 31268 1 41 . 1 . 1 5 5 GLN HG2 H 1 2.400 0.02 1.000 2 . . . . A 5 GLN HG2 . 31268 1 42 . 1 . 1 5 5 GLN HG3 H 1 2.380 0.02 1.000 2 . . . . A 5 GLN HG3 . 31268 1 43 . 1 . 1 5 5 GLN C C 13 176.083 0.20 0.524 1 . . . . A 5 GLN C . 31268 1 44 . 1 . 1 5 5 GLN CA C 13 55.984 0.20 1.000 1 . . . . A 5 GLN CA . 31268 1 45 . 1 . 1 5 5 GLN CB C 13 29.750 0.20 1.000 1 . . . . A 5 GLN CB . 31268 1 46 . 1 . 1 5 5 GLN CG C 13 33.900 0.20 0.525 1 . . . . A 5 GLN CG . 31268 1 47 . 1 . 1 5 5 GLN N N 15 121.796 0.20 0.524 1 . . . . A 5 GLN N . 31268 1 48 . 1 . 1 6 6 LEU H H 1 8.262 0.02 0.524 1 . . . . A 6 LEU H . 31268 1 49 . 1 . 1 6 6 LEU HA H 1 3.899 0.02 0.818 1 . . . . A 6 LEU HA . 31268 1 50 . 1 . 1 6 6 LEU HB2 H 1 1.620 0.02 1.000 2 . . . . A 6 LEU HB2 . 31268 1 51 . 1 . 1 6 6 LEU HB3 H 1 1.620 0.02 1.000 2 . . . . A 6 LEU HB3 . 31268 1 52 . 1 . 1 6 6 LEU HG H 1 1.520 0.02 0.662 1 . . . . A 6 LEU HG . 31268 1 53 . 1 . 1 6 6 LEU HD11 H 1 0.700 0.02 0.692 2 . . . . A 6 LEU HD11 . 31268 1 54 . 1 . 1 6 6 LEU HD12 H 1 0.700 0.02 0.692 2 . . . . A 6 LEU HD12 . 31268 1 55 . 1 . 1 6 6 LEU HD13 H 1 0.700 0.02 0.692 2 . . . . A 6 LEU HD13 . 31268 1 56 . 1 . 1 6 6 LEU HD21 H 1 0.880 0.02 0.846 2 . . . . A 6 LEU HD21 . 31268 1 57 . 1 . 1 6 6 LEU HD22 H 1 0.880 0.02 0.846 2 . . . . A 6 LEU HD22 . 31268 1 58 . 1 . 1 6 6 LEU HD23 H 1 0.880 0.02 0.846 2 . . . . A 6 LEU HD23 . 31268 1 59 . 1 . 1 6 6 LEU CA C 13 54.600 0.20 0.750 1 . . . . A 6 LEU CA . 31268 1 60 . 1 . 1 6 6 LEU CB C 13 42.788 0.20 1.000 1 . . . . A 6 LEU CB . 31268 1 61 . 1 . 1 6 6 LEU CG C 13 27.100 0.20 0.624 1 . . . . A 6 LEU CG . 31268 1 62 . 1 . 1 6 6 LEU CD1 C 13 24.700 0.20 0.591 2 . . . . A 6 LEU CD1 . 31268 1 63 . 1 . 1 6 6 LEU CD2 C 13 24.400 0.20 0.622 2 . . . . A 6 LEU CD2 . 31268 1 64 . 1 . 1 6 6 LEU N N 15 123.163 0.20 0.524 1 . . . . A 6 LEU N . 31268 1 65 . 1 . 1 7 7 GLU H H 1 8.221 0.02 0.476 1 . . . . A 7 GLU H . 31268 1 66 . 1 . 1 7 7 GLU HA H 1 4.030 0.02 0.888 1 . . . . A 7 GLU HA . 31268 1 67 . 1 . 1 7 7 GLU HB2 H 1 2.209 0.02 0.432 2 . . . . A 7 GLU HB2 . 31268 1 68 . 1 . 1 7 7 GLU HB3 H 1 2.209 0.02 0.526 2 . . . . A 7 GLU HB3 . 31268 1 69 . 1 . 1 7 7 GLU HG2 H 1 2.240 0.02 0.703 2 . . . . A 7 GLU HG2 . 31268 1 70 . 1 . 1 7 7 GLU HG3 H 1 2.220 0.02 0.765 2 . . . . A 7 GLU HG3 . 31268 1 71 . 1 . 1 7 7 GLU CA C 13 55.600 0.20 0.577 1 . . . . A 7 GLU CA . 31268 1 72 . 1 . 1 7 7 GLU CB C 13 30.100 0.20 0.714 1 . . . . A 7 GLU CB . 31268 1 73 . 1 . 1 7 7 GLU CG C 13 36.300 0.20 0.626 1 . . . . A 7 GLU CG . 31268 1 74 . 1 . 1 7 7 GLU N N 15 122.888 0.20 0.476 1 . . . . A 7 GLU N . 31268 1 75 . 1 . 1 8 8 ALA H H 1 7.532 0.02 0.338 1 . . . . A 8 ALA H . 31268 1 76 . 1 . 1 8 8 ALA HA H 1 4.586 0.02 1.000 1 . . . . A 8 ALA HA . 31268 1 77 . 1 . 1 8 8 ALA HB1 H 1 1.995 0.02 1.000 1 . . . . A 8 ALA HB1 . 31268 1 78 . 1 . 1 8 8 ALA HB2 H 1 1.995 0.02 1.000 1 . . . . A 8 ALA HB2 . 31268 1 79 . 1 . 1 8 8 ALA HB3 H 1 1.995 0.02 1.000 1 . . . . A 8 ALA HB3 . 31268 1 80 . 1 . 1 8 8 ALA C C 13 176.113 0.20 1.000 1 . . . . A 8 ALA C . 31268 1 81 . 1 . 1 8 8 ALA CA C 13 55.923 0.20 1.000 1 . . . . A 8 ALA CA . 31268 1 82 . 1 . 1 8 8 ALA CB C 13 30.845 0.20 1.000 1 . . . . A 8 ALA CB . 31268 1 83 . 1 . 1 8 8 ALA N N 15 111.862 0.20 0.338 1 . . . . A 8 ALA N . 31268 1 84 . 1 . 1 9 9 ALA H H 1 8.188 0.02 1.000 1 . . . . A 9 ALA H . 31268 1 85 . 1 . 1 9 9 ALA HA H 1 4.296 0.02 1.000 1 . . . . A 9 ALA HA . 31268 1 86 . 1 . 1 9 9 ALA HB1 H 1 1.380 0.02 0.896 1 . . . . A 9 ALA HB1 . 31268 1 87 . 1 . 1 9 9 ALA HB2 H 1 1.380 0.02 0.896 1 . . . . A 9 ALA HB2 . 31268 1 88 . 1 . 1 9 9 ALA HB3 H 1 1.380 0.02 0.896 1 . . . . A 9 ALA HB3 . 31268 1 89 . 1 . 1 9 9 ALA C C 13 177.092 0.20 1.000 1 . . . . A 9 ALA C . 31268 1 90 . 1 . 1 9 9 ALA CA C 13 52.729 0.20 1.000 1 . . . . A 9 ALA CA . 31268 1 91 . 1 . 1 9 9 ALA CB C 13 19.338 0.20 1.000 1 . . . . A 9 ALA CB . 31268 1 92 . 1 . 1 9 9 ALA N N 15 123.830 0.20 1.000 1 . . . . A 9 ALA N . 31268 1 93 . 1 . 1 10 10 GLY H H 1 8.450 0.02 1.000 1 . . . . A 10 GLY H . 31268 1 94 . 1 . 1 10 10 GLY HA2 H 1 3.937 0.02 1.000 2 . . . . A 10 GLY HA2 . 31268 1 95 . 1 . 1 10 10 GLY HA3 H 1 3.937 0.02 1.000 2 . . . . A 10 GLY HA3 . 31268 1 96 . 1 . 1 10 10 GLY C C 13 174.127 0.20 1.000 1 . . . . A 10 GLY C . 31268 1 97 . 1 . 1 10 10 GLY CA C 13 45.261 0.20 1.000 1 . . . . A 10 GLY CA . 31268 1 98 . 1 . 1 10 10 GLY N N 15 106.110 0.20 1.000 1 . . . . A 10 GLY N . 31268 1 99 . 1 . 1 11 11 LEU H H 1 8.260 0.02 1.000 1 . . . . A 11 LEU H . 31268 1 100 . 1 . 1 11 11 LEU HA H 1 4.307 0.02 1.000 1 . . . . A 11 LEU HA . 31268 1 101 . 1 . 1 11 11 LEU HB2 H 1 2.009 0.02 1.000 2 . . . . A 11 LEU HB2 . 31268 1 102 . 1 . 1 11 11 LEU HB3 H 1 2.009 0.02 1.000 2 . . . . A 11 LEU HB3 . 31268 1 103 . 1 . 1 11 11 LEU HG H 1 1.540 0.02 1.000 1 . . . . A 11 LEU HG . 31268 1 104 . 1 . 1 11 11 LEU HD11 H 1 0.700 0.02 0.695 2 . . . . A 11 LEU HD11 . 31268 1 105 . 1 . 1 11 11 LEU HD12 H 1 0.700 0.02 0.695 2 . . . . A 11 LEU HD12 . 31268 1 106 . 1 . 1 11 11 LEU HD13 H 1 0.700 0.02 0.695 2 . . . . A 11 LEU HD13 . 31268 1 107 . 1 . 1 11 11 LEU HD21 H 1 0.880 0.02 0.738 2 . . . . A 11 LEU HD21 . 31268 1 108 . 1 . 1 11 11 LEU HD22 H 1 0.880 0.02 0.738 2 . . . . A 11 LEU HD22 . 31268 1 109 . 1 . 1 11 11 LEU HD23 H 1 0.880 0.02 0.738 2 . . . . A 11 LEU HD23 . 31268 1 110 . 1 . 1 11 11 LEU C C 13 176.133 0.20 1.000 1 . . . . A 11 LEU C . 31268 1 111 . 1 . 1 11 11 LEU CA C 13 56.397 0.20 0.842 1 . . . . A 11 LEU CA . 31268 1 112 . 1 . 1 11 11 LEU CB C 13 30.331 0.20 1.000 1 . . . . A 11 LEU CB . 31268 1 113 . 1 . 1 11 11 LEU CG C 13 27.100 0.20 0.731 1 . . . . A 11 LEU CG . 31268 1 114 . 1 . 1 11 11 LEU CD1 C 13 24.700 0.20 0.776 2 . . . . A 11 LEU CD1 . 31268 1 115 . 1 . 1 11 11 LEU CD2 C 13 24.400 0.20 1.000 2 . . . . A 11 LEU CD2 . 31268 1 116 . 1 . 1 11 11 LEU N N 15 120.249 0.20 1.000 1 . . . . A 11 LEU N . 31268 1 117 . 1 . 1 12 12 ARG H H 1 8.480 0.02 1.000 1 . . . . A 12 ARG H . 31268 1 118 . 1 . 1 12 12 ARG HB2 H 1 2.732 0.02 1.000 2 . . . . A 12 ARG HB2 . 31268 1 119 . 1 . 1 12 12 ARG HB3 H 1 2.732 0.02 1.000 2 . . . . A 12 ARG HB3 . 31268 1 120 . 1 . 1 12 12 ARG HG2 H 1 1.480 0.02 1.000 2 . . . . A 12 ARG HG2 . 31268 1 121 . 1 . 1 12 12 ARG HG3 H 1 1.450 0.02 1.000 2 . . . . A 12 ARG HG3 . 31268 1 122 . 1 . 1 12 12 ARG HD2 H 1 3.220 0.02 0.472 2 . . . . A 12 ARG HD2 . 31268 1 123 . 1 . 1 12 12 ARG HD3 H 1 3.190 0.02 0.465 2 . . . . A 12 ARG HD3 . 31268 1 124 . 1 . 1 12 12 ARG C C 13 174.729 0.20 1.000 1 . . . . A 12 ARG C . 31268 1 125 . 1 . 1 12 12 ARG CA C 13 53.350 0.20 1.000 1 . . . . A 12 ARG CA . 31268 1 126 . 1 . 1 12 12 ARG CB C 13 39.002 0.20 1.000 1 . . . . A 12 ARG CB . 31268 1 127 . 1 . 1 12 12 ARG CG C 13 27.100 0.20 0.815 1 . . . . A 12 ARG CG . 31268 1 128 . 1 . 1 12 12 ARG CD C 13 43.200 0.20 0.535 1 . . . . A 12 ARG CD . 31268 1 129 . 1 . 1 12 12 ARG N N 15 119.194 0.20 1.000 1 . . . . A 12 ARG N . 31268 1 130 . 1 . 1 13 13 LEU H H 1 8.074 0.02 1.000 1 . . . . A 13 LEU H . 31268 1 131 . 1 . 1 13 13 LEU HA H 1 4.250 0.02 1.000 1 . . . . A 13 LEU HA . 31268 1 132 . 1 . 1 13 13 LEU HB2 H 1 1.387 0.02 1.000 2 . . . . A 13 LEU HB2 . 31268 1 133 . 1 . 1 13 13 LEU HB3 H 1 1.620 0.02 1.000 2 . . . . A 13 LEU HB3 . 31268 1 134 . 1 . 1 13 13 LEU HG H 1 1.670 0.02 1.000 1 . . . . A 13 LEU HG . 31268 1 135 . 1 . 1 13 13 LEU HD11 H 1 0.870 0.02 0.461 2 . . . . A 13 LEU HD11 . 31268 1 136 . 1 . 1 13 13 LEU HD12 H 1 0.870 0.02 0.461 2 . . . . A 13 LEU HD12 . 31268 1 137 . 1 . 1 13 13 LEU HD13 H 1 0.870 0.02 0.461 2 . . . . A 13 LEU HD13 . 31268 1 138 . 1 . 1 13 13 LEU HD21 H 1 0.880 0.02 0.466 2 . . . . A 13 LEU HD21 . 31268 1 139 . 1 . 1 13 13 LEU HD22 H 1 0.880 0.02 0.466 2 . . . . A 13 LEU HD22 . 31268 1 140 . 1 . 1 13 13 LEU HD23 H 1 0.880 0.02 0.466 2 . . . . A 13 LEU HD23 . 31268 1 141 . 1 . 1 13 13 LEU C C 13 176.603 0.20 1.000 1 . . . . A 13 LEU C . 31268 1 142 . 1 . 1 13 13 LEU CA C 13 55.216 0.20 1.000 1 . . . . A 13 LEU CA . 31268 1 143 . 1 . 1 13 13 LEU CB C 13 42.580 0.20 1.000 1 . . . . A 13 LEU CB . 31268 1 144 . 1 . 1 13 13 LEU CG C 13 27.200 0.20 0.731 1 . . . . A 13 LEU CG . 31268 1 145 . 1 . 1 13 13 LEU CD1 C 13 24.400 0.20 0.504 2 . . . . A 13 LEU CD1 . 31268 1 146 . 1 . 1 13 13 LEU CD2 C 13 25.000 0.20 0.500 2 . . . . A 13 LEU CD2 . 31268 1 147 . 1 . 1 13 13 LEU N N 15 122.235 0.20 1.000 1 . . . . A 13 LEU N . 31268 1 148 . 1 . 1 14 14 ASP H H 1 8.023 0.02 1.000 1 . . . . A 14 ASP H . 31268 1 149 . 1 . 1 14 14 ASP HA H 1 4.540 0.02 1.000 1 . . . . A 14 ASP HA . 31268 1 150 . 1 . 1 14 14 ASP HB2 H 1 2.880 0.02 0.693 2 . . . . A 14 ASP HB2 . 31268 1 151 . 1 . 1 14 14 ASP HB3 H 1 2.820 0.02 0.268 2 . . . . A 14 ASP HB3 . 31268 1 152 . 1 . 1 14 14 ASP C C 13 174.513 0.20 0.524 1 . . . . A 14 ASP C . 31268 1 153 . 1 . 1 14 14 ASP CA C 13 57.568 0.20 1.000 1 . . . . A 14 ASP CA . 31268 1 154 . 1 . 1 14 14 ASP CB C 13 38.882 0.20 1.000 1 . . . . A 14 ASP CB . 31268 1 155 . 1 . 1 14 14 ASP N N 15 119.817 0.20 1.000 1 . . . . A 14 ASP N . 31268 1 156 . 1 . 1 15 15 GLU H H 1 7.801 0.02 0.524 1 . . . . A 15 GLU H . 31268 1 157 . 1 . 1 15 15 GLU HA H 1 4.784 0.02 1.000 1 . . . . A 15 GLU HA . 31268 1 158 . 1 . 1 15 15 GLU HB2 H 1 2.140 0.02 0.470 2 . . . . A 15 GLU HB2 . 31268 1 159 . 1 . 1 15 15 GLU HB3 H 1 2.160 0.02 0.473 2 . . . . A 15 GLU HB3 . 31268 1 160 . 1 . 1 15 15 GLU HG2 H 1 2.240 0.02 0.447 2 . . . . A 15 GLU HG2 . 31268 1 161 . 1 . 1 15 15 GLU HG3 H 1 2.210 0.02 0.516 2 . . . . A 15 GLU HG3 . 31268 1 162 . 1 . 1 15 15 GLU CA C 13 53.228 0.20 1.000 1 . . . . A 15 GLU CA . 31268 1 163 . 1 . 1 15 15 GLU CG C 13 36.300 0.20 0.791 1 . . . . A 15 GLU CG . 31268 1 164 . 1 . 1 15 15 GLU N N 15 126.126 0.20 0.524 1 . . . . A 15 GLU N . 31268 1 165 . 1 . 1 16 16 GLN H H 1 7.658 0.02 0.365 1 . . . . A 16 GLN H . 31268 1 166 . 1 . 1 16 16 GLN HA H 1 4.137 0.02 1.000 1 . . . . A 16 GLN HA . 31268 1 167 . 1 . 1 16 16 GLN HB2 H 1 2.117 0.02 1.000 2 . . . . A 16 GLN HB2 . 31268 1 168 . 1 . 1 16 16 GLN HB3 H 1 2.117 0.02 0.632 2 . . . . A 16 GLN HB3 . 31268 1 169 . 1 . 1 16 16 GLN HG2 H 1 2.140 0.02 1.000 2 . . . . A 16 GLN HG2 . 31268 1 170 . 1 . 1 16 16 GLN HG3 H 1 2.160 0.02 1.000 2 . . . . A 16 GLN HG3 . 31268 1 171 . 1 . 1 16 16 GLN C C 13 178.180 0.20 1.000 1 . . . . A 16 GLN C . 31268 1 172 . 1 . 1 16 16 GLN CA C 13 58.967 0.20 1.000 1 . . . . A 16 GLN CA . 31268 1 173 . 1 . 1 16 16 GLN CB C 13 30.351 0.20 1.000 1 . . . . A 16 GLN CB . 31268 1 174 . 1 . 1 16 16 GLN CG C 13 33.100 0.20 1.000 1 . . . . A 16 GLN CG . 31268 1 175 . 1 . 1 16 16 GLN N N 15 113.137 0.20 0.365 1 . . . . A 16 GLN N . 31268 1 176 . 1 . 1 17 17 ARG H H 1 8.357 0.02 1.000 1 . . . . A 17 ARG H . 31268 1 177 . 1 . 1 17 17 ARG HA H 1 4.531 0.02 1.000 1 . . . . A 17 ARG HA . 31268 1 178 . 1 . 1 17 17 ARG HB2 H 1 2.927 0.02 1.000 2 . . . . A 17 ARG HB2 . 31268 1 179 . 1 . 1 17 17 ARG HG2 H 1 1.560 0.02 0.415 2 . . . . A 17 ARG HG2 . 31268 1 180 . 1 . 1 17 17 ARG HG3 H 1 1.540 0.02 0.418 2 . . . . A 17 ARG HG3 . 31268 1 181 . 1 . 1 17 17 ARG HD2 H 1 3.200 0.02 0.849 2 . . . . A 17 ARG HD2 . 31268 1 182 . 1 . 1 17 17 ARG HD3 H 1 3.080 0.02 0.241 2 . . . . A 17 ARG HD3 . 31268 1 183 . 1 . 1 17 17 ARG C C 13 179.001 0.20 0.798 1 . . . . A 17 ARG C . 31268 1 184 . 1 . 1 17 17 ARG CA C 13 56.810 0.20 1.000 1 . . . . A 17 ARG CA . 31268 1 185 . 1 . 1 17 17 ARG CB C 13 37.756 0.20 1.000 1 . . . . A 17 ARG CB . 31268 1 186 . 1 . 1 17 17 ARG CG C 13 27.100 0.20 0.585 1 . . . . A 17 ARG CG . 31268 1 187 . 1 . 1 17 17 ARG CD C 13 43.200 0.20 0.493 1 . . . . A 17 ARG CD . 31268 1 188 . 1 . 1 17 17 ARG N N 15 118.764 0.20 1.000 1 . . . . A 17 ARG N . 31268 1 189 . 1 . 1 18 18 GLN H H 1 8.588 0.02 0.798 1 . . . . A 18 GLN H . 31268 1 190 . 1 . 1 18 18 GLN HA H 1 4.270 0.02 0.547 1 . . . . A 18 GLN HA . 31268 1 191 . 1 . 1 18 18 GLN HB2 H 1 2.150 0.02 0.882 2 . . . . A 18 GLN HB2 . 31268 1 192 . 1 . 1 18 18 GLN HB3 H 1 2.780 0.02 0.484 2 . . . . A 18 GLN HB3 . 31268 1 193 . 1 . 1 18 18 GLN HG2 H 1 2.410 0.02 0.478 2 . . . . A 18 GLN HG2 . 31268 1 194 . 1 . 1 18 18 GLN HG3 H 1 2.390 0.02 1.000 2 . . . . A 18 GLN HG3 . 31268 1 195 . 1 . 1 18 18 GLN CA C 13 56.600 0.20 1.000 1 . . . . A 18 GLN CA . 31268 1 196 . 1 . 1 18 18 GLN CB C 13 29.195 0.20 1.000 1 . . . . A 18 GLN CB . 31268 1 197 . 1 . 1 18 18 GLN CG C 13 33.900 0.20 0.708 1 . . . . A 18 GLN CG . 31268 1 198 . 1 . 1 18 18 GLN N N 15 120.665 0.20 0.798 1 . . . . A 18 GLN N . 31268 1 199 . 1 . 1 19 19 CYS H H 1 7.294 0.02 0.083 1 . . . . A 19 CYS H . 31268 1 200 . 1 . 1 19 19 CYS HA H 1 4.010 0.02 1.000 1 . . . . A 19 CYS HA . 31268 1 201 . 1 . 1 19 19 CYS HB2 H 1 3.200 0.02 0.514 2 . . . . A 19 CYS HB2 . 31268 1 202 . 1 . 1 19 19 CYS C C 13 171.782 0.20 1.000 1 . . . . A 19 CYS C . 31268 1 203 . 1 . 1 19 19 CYS CA C 13 55.757 0.20 1.000 1 . . . . A 19 CYS CA . 31268 1 204 . 1 . 1 19 19 CYS CB C 13 31.837 0.20 1.000 1 . . . . A 19 CYS CB . 31268 1 205 . 1 . 1 19 19 CYS N N 15 116.029 0.20 0.083 1 . . . . A 19 CYS N . 31268 1 206 . 1 . 1 20 20 VAL H H 1 8.849 0.02 1.000 1 . . . . A 20 VAL H . 31268 1 207 . 1 . 1 20 20 VAL HA H 1 5.095 0.02 1.000 1 . . . . A 20 VAL HA . 31268 1 208 . 1 . 1 20 20 VAL HB H 1 1.910 0.02 1.000 1 . . . . A 20 VAL HB . 31268 1 209 . 1 . 1 20 20 VAL HG11 H 1 0.740 0.02 0.556 2 . . . . A 20 VAL HG11 . 31268 1 210 . 1 . 1 20 20 VAL HG12 H 1 0.740 0.02 0.556 2 . . . . A 20 VAL HG12 . 31268 1 211 . 1 . 1 20 20 VAL HG13 H 1 0.740 0.02 0.556 2 . . . . A 20 VAL HG13 . 31268 1 212 . 1 . 1 20 20 VAL HG21 H 1 0.480 0.02 0.899 2 . . . . A 20 VAL HG21 . 31268 1 213 . 1 . 1 20 20 VAL HG22 H 1 0.480 0.02 0.899 2 . . . . A 20 VAL HG22 . 31268 1 214 . 1 . 1 20 20 VAL HG23 H 1 0.480 0.02 0.899 2 . . . . A 20 VAL HG23 . 31268 1 215 . 1 . 1 20 20 VAL C C 13 173.038 0.20 1.000 1 . . . . A 20 VAL C . 31268 1 216 . 1 . 1 20 20 VAL CA C 13 59.329 0.20 1.000 1 . . . . A 20 VAL CA . 31268 1 217 . 1 . 1 20 20 VAL CB C 13 34.983 0.20 1.000 1 . . . . A 20 VAL CB . 31268 1 218 . 1 . 1 20 20 VAL CG1 C 13 22.200 0.20 1.000 2 . . . . A 20 VAL CG1 . 31268 1 219 . 1 . 1 20 20 VAL CG2 C 13 19.300 0.20 0.899 2 . . . . A 20 VAL CG2 . 31268 1 220 . 1 . 1 20 20 VAL N N 15 118.528 0.20 1.000 1 . . . . A 20 VAL N . 31268 1 221 . 1 . 1 21 21 CYS H H 1 8.999 0.02 1.000 1 . . . . A 21 CYS H . 31268 1 222 . 1 . 1 21 21 CYS HA H 1 5.211 0.02 0.517 1 . . . . A 21 CYS HA . 31268 1 223 . 1 . 1 21 21 CYS HB2 H 1 3.560 0.02 0.499 2 . . . . A 21 CYS HB2 . 31268 1 224 . 1 . 1 21 21 CYS HB3 H 1 2.721 0.02 0.560 2 . . . . A 21 CYS HB3 . 31268 1 225 . 1 . 1 21 21 CYS C C 13 174.064 0.20 1.000 1 . . . . A 21 CYS C . 31268 1 226 . 1 . 1 21 21 CYS CA C 13 57.571 0.20 1.000 1 . . . . A 21 CYS CA . 31268 1 227 . 1 . 1 21 21 CYS CB C 13 29.594 0.20 1.000 1 . . . . A 21 CYS CB . 31268 1 228 . 1 . 1 21 21 CYS N N 15 125.230 0.20 1.000 1 . . . . A 21 CYS N . 31268 1 229 . 1 . 1 22 22 LEU H H 1 9.119 0.02 1.000 1 . . . . A 22 LEU H . 31268 1 230 . 1 . 1 22 22 LEU HA H 1 4.926 0.02 1.000 1 . . . . A 22 LEU HA . 31268 1 231 . 1 . 1 22 22 LEU HB2 H 1 1.847 0.02 1.000 2 . . . . A 22 LEU HB2 . 31268 1 232 . 1 . 1 22 22 LEU HB3 H 1 1.847 0.02 1.000 2 . . . . A 22 LEU HB3 . 31268 1 233 . 1 . 1 22 22 LEU HD11 H 1 0.880 0.02 0.619 2 . . . . A 22 LEU HD11 . 31268 1 234 . 1 . 1 22 22 LEU HD12 H 1 0.880 0.02 0.619 2 . . . . A 22 LEU HD12 . 31268 1 235 . 1 . 1 22 22 LEU HD13 H 1 0.880 0.02 0.619 2 . . . . A 22 LEU HD13 . 31268 1 236 . 1 . 1 22 22 LEU HD21 H 1 0.520 0.02 0.508 2 . . . . A 22 LEU HD21 . 31268 1 237 . 1 . 1 22 22 LEU HD22 H 1 0.520 0.02 0.508 2 . . . . A 22 LEU HD22 . 31268 1 238 . 1 . 1 22 22 LEU HD23 H 1 0.520 0.02 0.508 2 . . . . A 22 LEU HD23 . 31268 1 239 . 1 . 1 22 22 LEU C C 13 176.026 0.20 1.000 1 . . . . A 22 LEU C . 31268 1 240 . 1 . 1 22 22 LEU CA C 13 53.827 0.20 1.000 1 . . . . A 22 LEU CA . 31268 1 241 . 1 . 1 22 22 LEU CB C 13 44.438 0.20 1.000 1 . . . . A 22 LEU CB . 31268 1 242 . 1 . 1 22 22 LEU CG C 13 27.200 0.20 0.282 1 . . . . A 22 LEU CG . 31268 1 243 . 1 . 1 22 22 LEU CD1 C 13 24.400 0.20 1.000 2 . . . . A 22 LEU CD1 . 31268 1 244 . 1 . 1 22 22 LEU CD2 C 13 24.100 0.20 1.000 2 . . . . A 22 LEU CD2 . 31268 1 245 . 1 . 1 22 22 LEU N N 15 128.333 0.20 1.000 1 . . . . A 22 LEU N . 31268 1 246 . 1 . 1 23 23 ASN H H 1 9.580 0.02 1.000 1 . . . . A 23 ASN H . 31268 1 247 . 1 . 1 23 23 ASN HA H 1 4.487 0.02 1.000 1 . . . . A 23 ASN HA . 31268 1 248 . 1 . 1 23 23 ASN HB2 H 1 3.030 0.02 1.000 2 . . . . A 23 ASN HB2 . 31268 1 249 . 1 . 1 23 23 ASN HB3 H 1 2.944 0.02 1.000 2 . . . . A 23 ASN HB3 . 31268 1 250 . 1 . 1 23 23 ASN C C 13 175.445 0.20 1.000 1 . . . . A 23 ASN C . 31268 1 251 . 1 . 1 23 23 ASN CA C 13 54.334 0.20 1.000 1 . . . . A 23 ASN CA . 31268 1 252 . 1 . 1 23 23 ASN CB C 13 37.539 0.20 1.000 1 . . . . A 23 ASN CB . 31268 1 253 . 1 . 1 23 23 ASN N N 15 125.949 0.20 1.000 1 . . . . A 23 ASN N . 31268 1 254 . 1 . 1 24 24 GLY H H 1 8.585 0.02 1.000 1 . . . . A 24 GLY H . 31268 1 255 . 1 . 1 24 24 GLY HA2 H 1 4.195 0.02 1.000 2 . . . . A 24 GLY HA2 . 31268 1 256 . 1 . 1 24 24 GLY HA3 H 1 4.195 0.02 0.816 2 . . . . A 24 GLY HA3 . 31268 1 257 . 1 . 1 24 24 GLY C C 13 173.153 0.20 1.000 1 . . . . A 24 GLY C . 31268 1 258 . 1 . 1 24 24 GLY CA C 13 45.633 0.20 1.000 1 . . . . A 24 GLY CA . 31268 1 259 . 1 . 1 24 24 GLY N N 15 104.223 0.20 1.000 1 . . . . A 24 GLY N . 31268 1 260 . 1 . 1 25 25 ALA H H 1 7.808 0.02 1.000 1 . . . . A 25 ALA H . 31268 1 261 . 1 . 1 25 25 ALA HA H 1 4.696 0.02 1.000 1 . . . . A 25 ALA HA . 31268 1 262 . 1 . 1 25 25 ALA HB1 H 1 1.400 0.02 1.000 1 . . . . A 25 ALA HB1 . 31268 1 263 . 1 . 1 25 25 ALA HB2 H 1 1.400 0.02 1.000 1 . . . . A 25 ALA HB2 . 31268 1 264 . 1 . 1 25 25 ALA HB3 H 1 1.400 0.02 1.000 1 . . . . A 25 ALA HB3 . 31268 1 265 . 1 . 1 25 25 ALA C C 13 175.776 0.20 1.000 1 . . . . A 25 ALA C . 31268 1 266 . 1 . 1 25 25 ALA CA C 13 50.561 0.20 1.000 1 . . . . A 25 ALA CA . 31268 1 267 . 1 . 1 25 25 ALA CB C 13 21.192 0.20 1.000 1 . . . . A 25 ALA CB . 31268 1 268 . 1 . 1 25 25 ALA N N 15 124.397 0.20 1.000 1 . . . . A 25 ALA N . 31268 1 269 . 1 . 1 26 26 ASP H H 1 8.554 0.02 1.000 1 . . . . A 26 ASP H . 31268 1 270 . 1 . 1 26 26 ASP HA H 1 5.007 0.02 1.000 1 . . . . A 26 ASP HA . 31268 1 271 . 1 . 1 26 26 ASP HB2 H 1 2.577 0.02 1.000 2 . . . . A 26 ASP HB2 . 31268 1 272 . 1 . 1 26 26 ASP HB3 H 1 2.577 0.02 1.000 2 . . . . A 26 ASP HB3 . 31268 1 273 . 1 . 1 26 26 ASP C C 13 176.645 0.20 1.000 1 . . . . A 26 ASP C . 31268 1 274 . 1 . 1 26 26 ASP CA C 13 54.389 0.20 1.000 1 . . . . A 26 ASP CA . 31268 1 275 . 1 . 1 26 26 ASP CB C 13 41.341 0.20 1.000 1 . . . . A 26 ASP CB . 31268 1 276 . 1 . 1 26 26 ASP N N 15 122.353 0.20 1.000 1 . . . . A 26 ASP N . 31268 1 277 . 1 . 1 27 27 VAL H H 1 9.148 0.02 1.000 1 . . . . A 27 VAL H . 31268 1 278 . 1 . 1 27 27 VAL HA H 1 4.172 0.02 1.000 1 . . . . A 27 VAL HA . 31268 1 279 . 1 . 1 27 27 VAL HB H 1 2.002 0.02 1.000 1 . . . . A 27 VAL HB . 31268 1 280 . 1 . 1 27 27 VAL HG11 H 1 0.850 0.02 0.651 2 . . . . A 27 VAL HG11 . 31268 1 281 . 1 . 1 27 27 VAL HG12 H 1 0.850 0.02 0.651 2 . . . . A 27 VAL HG12 . 31268 1 282 . 1 . 1 27 27 VAL HG13 H 1 0.850 0.02 0.651 2 . . . . A 27 VAL HG13 . 31268 1 283 . 1 . 1 27 27 VAL HG21 H 1 0.930 0.02 0.734 2 . . . . A 27 VAL HG21 . 31268 1 284 . 1 . 1 27 27 VAL HG22 H 1 0.930 0.02 0.734 2 . . . . A 27 VAL HG22 . 31268 1 285 . 1 . 1 27 27 VAL HG23 H 1 0.930 0.02 0.734 2 . . . . A 27 VAL HG23 . 31268 1 286 . 1 . 1 27 27 VAL C C 13 175.383 0.20 1.000 1 . . . . A 27 VAL C . 31268 1 287 . 1 . 1 27 27 VAL CA C 13 61.737 0.20 1.000 1 . . . . A 27 VAL CA . 31268 1 288 . 1 . 1 27 27 VAL CB C 13 33.302 0.20 1.000 1 . . . . A 27 VAL CB . 31268 1 289 . 1 . 1 27 27 VAL CG1 C 13 21.100 0.20 0.438 2 . . . . A 27 VAL CG1 . 31268 1 290 . 1 . 1 27 27 VAL CG2 C 13 21.400 0.20 0.336 2 . . . . A 27 VAL CG2 . 31268 1 291 . 1 . 1 27 27 VAL N N 15 125.034 0.20 1.000 1 . . . . A 27 VAL N . 31268 1 292 . 1 . 1 28 28 ASP H H 1 8.699 0.02 1.000 1 . . . . A 28 ASP H . 31268 1 293 . 1 . 1 28 28 ASP HA H 1 4.600 0.02 1.000 1 . . . . A 28 ASP HA . 31268 1 294 . 1 . 1 28 28 ASP HB2 H 1 2.676 0.02 1.000 2 . . . . A 28 ASP HB2 . 31268 1 295 . 1 . 1 28 28 ASP HB3 H 1 2.676 0.02 1.000 2 . . . . A 28 ASP HB3 . 31268 1 296 . 1 . 1 28 28 ASP C C 13 175.266 0.20 1.000 1 . . . . A 28 ASP C . 31268 1 297 . 1 . 1 28 28 ASP CA C 13 55.288 0.20 1.000 1 . . . . A 28 ASP CA . 31268 1 298 . 1 . 1 28 28 ASP CB C 13 40.959 0.20 1.000 1 . . . . A 28 ASP CB . 31268 1 299 . 1 . 1 28 28 ASP N N 15 127.714 0.20 1.000 1 . . . . A 28 ASP N . 31268 1 300 . 1 . 1 29 29 LEU H H 1 8.006 0.02 1.000 1 . . . . A 29 LEU H . 31268 1 301 . 1 . 1 29 29 LEU HA H 1 4.842 0.02 1.000 1 . . . . A 29 LEU HA . 31268 1 302 . 1 . 1 29 29 LEU HB2 H 1 1.794 0.02 1.000 2 . . . . A 29 LEU HB2 . 31268 1 303 . 1 . 1 29 29 LEU HB3 H 1 1.794 0.02 1.000 2 . . . . A 29 LEU HB3 . 31268 1 304 . 1 . 1 29 29 LEU HG H 1 1.540 0.02 1.000 1 . . . . A 29 LEU HG . 31268 1 305 . 1 . 1 29 29 LEU HD11 H 1 0.930 0.02 0.736 2 . . . . A 29 LEU HD11 . 31268 1 306 . 1 . 1 29 29 LEU HD12 H 1 0.930 0.02 0.736 2 . . . . A 29 LEU HD12 . 31268 1 307 . 1 . 1 29 29 LEU HD13 H 1 0.930 0.02 0.736 2 . . . . A 29 LEU HD13 . 31268 1 308 . 1 . 1 29 29 LEU HD21 H 1 0.880 0.02 0.678 2 . . . . A 29 LEU HD21 . 31268 1 309 . 1 . 1 29 29 LEU HD22 H 1 0.880 0.02 0.678 2 . . . . A 29 LEU HD22 . 31268 1 310 . 1 . 1 29 29 LEU HD23 H 1 0.880 0.02 0.678 2 . . . . A 29 LEU HD23 . 31268 1 311 . 1 . 1 29 29 LEU C C 13 177.617 0.20 1.000 1 . . . . A 29 LEU C . 31268 1 312 . 1 . 1 29 29 LEU CA C 13 53.205 0.20 1.000 1 . . . . A 29 LEU CA . 31268 1 313 . 1 . 1 29 29 LEU CB C 13 45.269 0.20 1.000 1 . . . . A 29 LEU CB . 31268 1 314 . 1 . 1 29 29 LEU CG C 13 27.100 0.20 0.450 1 . . . . A 29 LEU CG . 31268 1 315 . 1 . 1 29 29 LEU CD1 C 13 24.700 0.20 1.000 2 . . . . A 29 LEU CD1 . 31268 1 316 . 1 . 1 29 29 LEU CD2 C 13 24.400 0.20 0.862 2 . . . . A 29 LEU CD2 . 31268 1 317 . 1 . 1 29 29 LEU N N 15 122.866 0.20 1.000 1 . . . . A 29 LEU N . 31268 1 318 . 1 . 1 30 30 THR H H 1 8.677 0.02 1.000 1 . . . . A 30 THR H . 31268 1 319 . 1 . 1 30 30 THR HA H 1 4.450 0.02 0.867 1 . . . . A 30 THR HA . 31268 1 320 . 1 . 1 30 30 THR HB H 1 4.670 0.02 1.000 1 . . . . A 30 THR HB . 31268 1 321 . 1 . 1 30 30 THR HG21 H 1 1.280 0.02 1.000 1 . . . . A 30 THR HG21 . 31268 1 322 . 1 . 1 30 30 THR HG22 H 1 1.280 0.02 1.000 1 . . . . A 30 THR HG22 . 31268 1 323 . 1 . 1 30 30 THR HG23 H 1 1.280 0.02 1.000 1 . . . . A 30 THR HG23 . 31268 1 324 . 1 . 1 30 30 THR C C 13 174.929 0.20 1.000 1 . . . . A 30 THR C . 31268 1 325 . 1 . 1 30 30 THR CA C 13 61.281 0.20 1.000 1 . . . . A 30 THR CA . 31268 1 326 . 1 . 1 30 30 THR CB C 13 70.467 0.20 1.000 1 . . . . A 30 THR CB . 31268 1 327 . 1 . 1 30 30 THR CG2 C 13 21.800 0.20 1.000 1 . . . . A 30 THR CG2 . 31268 1 328 . 1 . 1 30 30 THR N N 15 113.528 0.20 1.000 1 . . . . A 30 THR N . 31268 1 329 . 1 . 1 31 31 ALA H H 1 8.861 0.02 1.000 1 . . . . A 31 ALA H . 31268 1 330 . 1 . 1 31 31 ALA HA H 1 4.104 0.02 1.000 1 . . . . A 31 ALA HA . 31268 1 331 . 1 . 1 31 31 ALA HB1 H 1 1.516 0.02 1.000 1 . . . . A 31 ALA HB1 . 31268 1 332 . 1 . 1 31 31 ALA HB2 H 1 1.516 0.02 1.000 1 . . . . A 31 ALA HB2 . 31268 1 333 . 1 . 1 31 31 ALA HB3 H 1 1.516 0.02 1.000 1 . . . . A 31 ALA HB3 . 31268 1 334 . 1 . 1 31 31 ALA C C 13 180.443 0.20 1.000 1 . . . . A 31 ALA C . 31268 1 335 . 1 . 1 31 31 ALA CA C 13 56.018 0.20 1.000 1 . . . . A 31 ALA CA . 31268 1 336 . 1 . 1 31 31 ALA CB C 13 17.693 0.20 1.000 1 . . . . A 31 ALA CB . 31268 1 337 . 1 . 1 31 31 ALA N N 15 123.898 0.20 1.000 1 . . . . A 31 ALA N . 31268 1 338 . 1 . 1 32 32 ALA H H 1 8.416 0.02 1.000 1 . . . . A 32 ALA H . 31268 1 339 . 1 . 1 32 32 ALA HA H 1 3.958 0.02 1.000 1 . . . . A 32 ALA HA . 31268 1 340 . 1 . 1 32 32 ALA HB1 H 1 1.078 0.02 1.000 1 . . . . A 32 ALA HB1 . 31268 1 341 . 1 . 1 32 32 ALA HB2 H 1 1.078 0.02 1.000 1 . . . . A 32 ALA HB2 . 31268 1 342 . 1 . 1 32 32 ALA HB3 H 1 1.078 0.02 1.000 1 . . . . A 32 ALA HB3 . 31268 1 343 . 1 . 1 32 32 ALA C C 13 173.750 0.20 1.000 1 . . . . A 32 ALA C . 31268 1 344 . 1 . 1 32 32 ALA CA C 13 55.014 0.20 1.000 1 . . . . A 32 ALA CA . 31268 1 345 . 1 . 1 32 32 ALA CB C 13 18.639 0.20 1.000 1 . . . . A 32 ALA CB . 31268 1 346 . 1 . 1 32 32 ALA N N 15 118.814 0.20 1.000 1 . . . . A 32 ALA N . 31268 1 347 . 1 . 1 33 33 GLU H H 1 7.356 0.02 1.000 1 . . . . A 33 GLU H . 31268 1 348 . 1 . 1 33 33 GLU HA H 1 3.502 0.02 1.000 1 . . . . A 33 GLU HA . 31268 1 349 . 1 . 1 33 33 GLU HB2 H 1 2.426 0.02 0.846 2 . . . . A 33 GLU HB2 . 31268 1 350 . 1 . 1 33 33 GLU HB3 H 1 1.940 0.02 0.882 2 . . . . A 33 GLU HB3 . 31268 1 351 . 1 . 1 33 33 GLU HG2 H 1 2.230 0.02 0.452 2 . . . . A 33 GLU HG2 . 31268 1 352 . 1 . 1 33 33 GLU HG3 H 1 2.210 0.02 0.504 2 . . . . A 33 GLU HG3 . 31268 1 353 . 1 . 1 33 33 GLU C C 13 177.943 0.20 1.000 1 . . . . A 33 GLU C . 31268 1 354 . 1 . 1 33 33 GLU CA C 13 59.507 0.20 1.000 1 . . . . A 33 GLU CA . 31268 1 355 . 1 . 1 33 33 GLU CB C 13 30.757 0.20 1.000 1 . . . . A 33 GLU CB . 31268 1 356 . 1 . 1 33 33 GLU CG C 13 36.300 0.20 0.701 1 . . . . A 33 GLU CG . 31268 1 357 . 1 . 1 33 33 GLU N N 15 117.421 0.20 1.000 1 . . . . A 33 GLU N . 31268 1 358 . 1 . 1 34 34 PHE H H 1 8.994 0.02 1.000 1 . . . . A 34 PHE H . 31268 1 359 . 1 . 1 34 34 PHE HA H 1 4.290 0.02 0.690 1 . . . . A 34 PHE HA . 31268 1 360 . 1 . 1 34 34 PHE HB2 H 1 3.150 0.02 0.830 2 . . . . A 34 PHE HB2 . 31268 1 361 . 1 . 1 34 34 PHE HB3 H 1 3.110 0.02 0.819 2 . . . . A 34 PHE HB3 . 31268 1 362 . 1 . 1 34 34 PHE C C 13 176.119 0.20 1.000 1 . . . . A 34 PHE C . 31268 1 363 . 1 . 1 34 34 PHE CA C 13 61.821 0.20 1.000 1 . . . . A 34 PHE CA . 31268 1 364 . 1 . 1 34 34 PHE CB C 13 39.190 0.20 1.000 1 . . . . A 34 PHE CB . 31268 1 365 . 1 . 1 34 34 PHE N N 15 118.959 0.20 1.000 1 . . . . A 34 PHE N . 31268 1 366 . 1 . 1 35 35 ARG H H 1 8.187 0.02 1.000 1 . . . . A 35 ARG H . 31268 1 367 . 1 . 1 35 35 ARG HA H 1 3.683 0.02 1.000 1 . . . . A 35 ARG HA . 31268 1 368 . 1 . 1 35 35 ARG HB2 H 1 1.817 0.02 1.000 2 . . . . A 35 ARG HB2 . 31268 1 369 . 1 . 1 35 35 ARG HB3 H 1 1.817 0.02 1.000 2 . . . . A 35 ARG HB3 . 31268 1 370 . 1 . 1 35 35 ARG HG2 H 1 1.460 0.02 0.469 2 . . . . A 35 ARG HG2 . 31268 1 371 . 1 . 1 35 35 ARG HG3 H 1 1.550 0.02 0.601 2 . . . . A 35 ARG HG3 . 31268 1 372 . 1 . 1 35 35 ARG HD2 H 1 3.220 0.02 0.738 2 . . . . A 35 ARG HD2 . 31268 1 373 . 1 . 1 35 35 ARG HD3 H 1 3.190 0.02 0.753 2 . . . . A 35 ARG HD3 . 31268 1 374 . 1 . 1 35 35 ARG C C 13 179.231 0.20 1.000 1 . . . . A 35 ARG C . 31268 1 375 . 1 . 1 35 35 ARG CA C 13 59.695 0.20 1.000 1 . . . . A 35 ARG CA . 31268 1 376 . 1 . 1 35 35 ARG CB C 13 30.430 0.20 1.000 1 . . . . A 35 ARG CB . 31268 1 377 . 1 . 1 35 35 ARG CG C 13 27.100 0.20 0.818 1 . . . . A 35 ARG CG . 31268 1 378 . 1 . 1 35 35 ARG CD C 13 43.300 0.20 0.759 1 . . . . A 35 ARG CD . 31268 1 379 . 1 . 1 35 35 ARG N N 15 117.705 0.20 1.000 1 . . . . A 35 ARG N . 31268 1 380 . 1 . 1 36 36 LEU H H 1 7.716 0.02 1.000 1 . . . . A 36 LEU H . 31268 1 381 . 1 . 1 36 36 LEU HA H 1 3.965 0.02 1.000 1 . . . . A 36 LEU HA . 31268 1 382 . 1 . 1 36 36 LEU HB2 H 1 1.703 0.02 1.000 2 . . . . A 36 LEU HB2 . 31268 1 383 . 1 . 1 36 36 LEU HB3 H 1 1.703 0.02 1.000 2 . . . . A 36 LEU HB3 . 31268 1 384 . 1 . 1 36 36 LEU HG H 1 1.540 0.02 0.646 1 . . . . A 36 LEU HG . 31268 1 385 . 1 . 1 36 36 LEU HD11 H 1 0.830 0.02 0.361 2 . . . . A 36 LEU HD11 . 31268 1 386 . 1 . 1 36 36 LEU HD12 H 1 0.830 0.02 0.361 2 . . . . A 36 LEU HD12 . 31268 1 387 . 1 . 1 36 36 LEU HD13 H 1 0.830 0.02 0.361 2 . . . . A 36 LEU HD13 . 31268 1 388 . 1 . 1 36 36 LEU HD21 H 1 0.880 0.02 0.653 2 . . . . A 36 LEU HD21 . 31268 1 389 . 1 . 1 36 36 LEU HD22 H 1 0.880 0.02 0.653 2 . . . . A 36 LEU HD22 . 31268 1 390 . 1 . 1 36 36 LEU HD23 H 1 0.880 0.02 0.653 2 . . . . A 36 LEU HD23 . 31268 1 391 . 1 . 1 36 36 LEU C C 13 177.197 0.20 1.000 1 . . . . A 36 LEU C . 31268 1 392 . 1 . 1 36 36 LEU CA C 13 57.626 0.20 1.000 1 . . . . A 36 LEU CA . 31268 1 393 . 1 . 1 36 36 LEU CB C 13 41.906 0.20 1.000 1 . . . . A 36 LEU CB . 31268 1 394 . 1 . 1 36 36 LEU CG C 13 27.200 0.20 0.426 1 . . . . A 36 LEU CG . 31268 1 395 . 1 . 1 36 36 LEU CD1 C 13 24.700 0.20 0.838 2 . . . . A 36 LEU CD1 . 31268 1 396 . 1 . 1 36 36 LEU CD2 C 13 24.400 0.20 0.752 2 . . . . A 36 LEU CD2 . 31268 1 397 . 1 . 1 36 36 LEU N N 15 119.684 0.20 1.000 1 . . . . A 36 LEU N . 31268 1 398 . 1 . 1 37 37 LEU H H 1 8.733 0.02 1.000 1 . . . . A 37 LEU H . 31268 1 399 . 1 . 1 37 37 LEU HA H 1 4.111 0.02 1.000 1 . . . . A 37 LEU HA . 31268 1 400 . 1 . 1 37 37 LEU HB2 H 1 1.595 0.02 1.000 2 . . . . A 37 LEU HB2 . 31268 1 401 . 1 . 1 37 37 LEU HB3 H 1 1.595 0.02 1.000 2 . . . . A 37 LEU HB3 . 31268 1 402 . 1 . 1 37 37 LEU HG H 1 1.520 0.02 0.628 1 . . . . A 37 LEU HG . 31268 1 403 . 1 . 1 37 37 LEU HD11 H 1 0.830 0.02 0.526 2 . . . . A 37 LEU HD11 . 31268 1 404 . 1 . 1 37 37 LEU HD12 H 1 0.830 0.02 0.526 2 . . . . A 37 LEU HD12 . 31268 1 405 . 1 . 1 37 37 LEU HD13 H 1 0.830 0.02 0.526 2 . . . . A 37 LEU HD13 . 31268 1 406 . 1 . 1 37 37 LEU HD21 H 1 0.880 0.02 0.739 2 . . . . A 37 LEU HD21 . 31268 1 407 . 1 . 1 37 37 LEU HD22 H 1 0.880 0.02 0.739 2 . . . . A 37 LEU HD22 . 31268 1 408 . 1 . 1 37 37 LEU HD23 H 1 0.880 0.02 0.739 2 . . . . A 37 LEU HD23 . 31268 1 409 . 1 . 1 37 37 LEU C C 13 178.031 0.20 1.000 1 . . . . A 37 LEU C . 31268 1 410 . 1 . 1 37 37 LEU CA C 13 57.818 0.20 1.000 1 . . . . A 37 LEU CA . 31268 1 411 . 1 . 1 37 37 LEU CB C 13 41.202 0.20 1.000 1 . . . . A 37 LEU CB . 31268 1 412 . 1 . 1 37 37 LEU CG C 13 27.200 0.20 0.360 1 . . . . A 37 LEU CG . 31268 1 413 . 1 . 1 37 37 LEU CD1 C 13 24.700 0.20 1.000 2 . . . . A 37 LEU CD1 . 31268 1 414 . 1 . 1 37 37 LEU CD2 C 13 24.400 0.20 0.888 2 . . . . A 37 LEU CD2 . 31268 1 415 . 1 . 1 37 37 LEU N N 15 119.462 0.20 1.000 1 . . . . A 37 LEU N . 31268 1 416 . 1 . 1 38 38 ARG H H 1 8.598 0.02 1.000 1 . . . . A 38 ARG H . 31268 1 417 . 1 . 1 38 38 ARG HA H 1 3.910 0.02 1.000 1 . . . . A 38 ARG HA . 31268 1 418 . 1 . 1 38 38 ARG HB2 H 1 1.800 0.02 1.000 2 . . . . A 38 ARG HB2 . 31268 1 419 . 1 . 1 38 38 ARG HB3 H 1 1.800 0.02 1.000 2 . . . . A 38 ARG HB3 . 31268 1 420 . 1 . 1 38 38 ARG HG2 H 1 1.570 0.02 1.000 2 . . . . A 38 ARG HG2 . 31268 1 421 . 1 . 1 38 38 ARG HG3 H 1 1.540 0.02 1.000 2 . . . . A 38 ARG HG3 . 31268 1 422 . 1 . 1 38 38 ARG HD2 H 1 2.860 0.02 0.767 2 . . . . A 38 ARG HD2 . 31268 1 423 . 1 . 1 38 38 ARG HD3 H 1 2.890 0.02 0.668 2 . . . . A 38 ARG HD3 . 31268 1 424 . 1 . 1 38 38 ARG CA C 13 58.200 0.20 1.000 1 . . . . A 38 ARG CA . 31268 1 425 . 1 . 1 38 38 ARG CB C 13 29.507 0.20 1.000 1 . . . . A 38 ARG CB . 31268 1 426 . 1 . 1 38 38 ARG CG C 13 27.100 0.20 0.857 1 . . . . A 38 ARG CG . 31268 1 427 . 1 . 1 38 38 ARG CD C 13 43.400 0.20 1.000 1 . . . . A 38 ARG CD . 31268 1 428 . 1 . 1 38 38 ARG N N 15 117.862 0.20 1.000 1 . . . . A 38 ARG N . 31268 1 429 . 1 . 1 39 39 TYR H H 1 7.532 0.02 0.517 1 . . . . A 39 TYR H . 31268 1 430 . 1 . 1 39 39 TYR HA H 1 4.549 0.02 1.000 1 . . . . A 39 TYR HA . 31268 1 431 . 1 . 1 39 39 TYR HB2 H 1 2.882 0.02 1.000 2 . . . . A 39 TYR HB2 . 31268 1 432 . 1 . 1 39 39 TYR HB3 H 1 2.960 0.02 1.000 2 . . . . A 39 TYR HB3 . 31268 1 433 . 1 . 1 39 39 TYR C C 13 175.127 0.20 0.524 1 . . . . A 39 TYR C . 31268 1 434 . 1 . 1 39 39 TYR CA C 13 57.617 0.20 1.000 1 . . . . A 39 TYR CA . 31268 1 435 . 1 . 1 39 39 TYR CB C 13 39.017 0.20 0.762 1 . . . . A 39 TYR CB . 31268 1 436 . 1 . 1 39 39 TYR N N 15 111.862 0.20 0.517 1 . . . . A 39 TYR N . 31268 1 437 . 1 . 1 40 40 PHE H H 1 8.043 0.02 0.524 1 . . . . A 40 PHE H . 31268 1 438 . 1 . 1 40 40 PHE HA H 1 4.110 0.02 1.000 1 . . . . A 40 PHE HA . 31268 1 439 . 1 . 1 40 40 PHE HB2 H 1 3.070 0.02 1.000 2 . . . . A 40 PHE HB2 . 31268 1 440 . 1 . 1 40 40 PHE HB3 H 1 3.100 0.02 0.466 2 . . . . A 40 PHE HB3 . 31268 1 441 . 1 . 1 40 40 PHE CA C 13 57.400 0.20 1.000 1 . . . . A 40 PHE CA . 31268 1 442 . 1 . 1 40 40 PHE CB C 13 38.800 0.20 1.000 1 . . . . A 40 PHE CB . 31268 1 443 . 1 . 1 40 40 PHE N N 15 121.489 0.20 0.524 1 . . . . A 40 PHE N . 31268 1 444 . 1 . 1 41 41 MET H H 1 7.615 0.02 0.501 1 . . . . A 41 MET H . 31268 1 445 . 1 . 1 41 41 MET HA H 1 4.020 0.02 0.814 1 . . . . A 41 MET HA . 31268 1 446 . 1 . 1 41 41 MET HB2 H 1 2.241 0.02 0.491 2 . . . . A 41 MET HB2 . 31268 1 447 . 1 . 1 41 41 MET HB3 H 1 2.241 0.02 0.611 2 . . . . A 41 MET HB3 . 31268 1 448 . 1 . 1 41 41 MET HG2 H 1 2.660 0.02 0.764 2 . . . . A 41 MET HG2 . 31268 1 449 . 1 . 1 41 41 MET HG3 H 1 2.590 0.02 1.000 2 . . . . A 41 MET HG3 . 31268 1 450 . 1 . 1 41 41 MET C C 13 181.160 0.20 0.503 1 . . . . A 41 MET C . 31268 1 451 . 1 . 1 41 41 MET CA C 13 55.700 0.20 0.814 1 . . . . A 41 MET CA . 31268 1 452 . 1 . 1 41 41 MET CB C 13 34.135 0.20 1.000 1 . . . . A 41 MET CB . 31268 1 453 . 1 . 1 41 41 MET CG C 13 30.900 0.20 0.772 1 . . . . A 41 MET CG . 31268 1 454 . 1 . 1 41 41 MET N N 15 111.406 0.20 0.501 1 . . . . A 41 MET N . 31268 1 455 . 1 . 1 42 42 LEU H H 1 6.817 0.02 0.503 1 . . . . A 42 LEU H . 31268 1 456 . 1 . 1 42 42 LEU HA H 1 3.899 0.02 1.000 1 . . . . A 42 LEU HA . 31268 1 457 . 1 . 1 42 42 LEU HB2 H 1 1.620 0.02 1.000 2 . . . . A 42 LEU HB2 . 31268 1 458 . 1 . 1 42 42 LEU HB3 H 1 1.620 0.02 1.000 2 . . . . A 42 LEU HB3 . 31268 1 459 . 1 . 1 42 42 LEU HG H 1 1.540 0.02 1.000 1 . . . . A 42 LEU HG . 31268 1 460 . 1 . 1 42 42 LEU HD11 H 1 0.930 0.02 0.609 2 . . . . A 42 LEU HD11 . 31268 1 461 . 1 . 1 42 42 LEU HD12 H 1 0.930 0.02 0.609 2 . . . . A 42 LEU HD12 . 31268 1 462 . 1 . 1 42 42 LEU HD13 H 1 0.930 0.02 0.609 2 . . . . A 42 LEU HD13 . 31268 1 463 . 1 . 1 42 42 LEU HD21 H 1 0.880 0.02 0.774 2 . . . . A 42 LEU HD21 . 31268 1 464 . 1 . 1 42 42 LEU HD22 H 1 0.880 0.02 0.774 2 . . . . A 42 LEU HD22 . 31268 1 465 . 1 . 1 42 42 LEU HD23 H 1 0.880 0.02 0.774 2 . . . . A 42 LEU HD23 . 31268 1 466 . 1 . 1 42 42 LEU CA C 13 55.761 0.20 1.000 1 . . . . A 42 LEU CA . 31268 1 467 . 1 . 1 42 42 LEU CB C 13 42.788 0.20 1.000 1 . . . . A 42 LEU CB . 31268 1 468 . 1 . 1 42 42 LEU CG C 13 27.100 0.20 0.708 1 . . . . A 42 LEU CG . 31268 1 469 . 1 . 1 42 42 LEU CD1 C 13 24.700 0.20 1.000 2 . . . . A 42 LEU CD1 . 31268 1 470 . 1 . 1 42 42 LEU CD2 C 13 24.400 0.20 1.000 2 . . . . A 42 LEU CD2 . 31268 1 471 . 1 . 1 42 42 LEU N N 15 112.193 0.20 0.503 1 . . . . A 42 LEU N . 31268 1 472 . 1 . 1 43 43 HIS H H 1 8.221 0.02 0.524 1 . . . . A 43 HIS H . 31268 1 473 . 1 . 1 43 43 HIS HB2 H 1 3.330 0.02 0.579 2 . . . . A 43 HIS HB2 . 31268 1 474 . 1 . 1 43 43 HIS HB3 H 1 3.300 0.02 0.561 2 . . . . A 43 HIS HB3 . 31268 1 475 . 1 . 1 43 43 HIS CA C 13 59.100 0.20 0.366 1 . . . . A 43 HIS CA . 31268 1 476 . 1 . 1 43 43 HIS CB C 13 29.400 0.20 0.641 1 . . . . A 43 HIS CB . 31268 1 477 . 1 . 1 43 43 HIS N N 15 122.888 0.20 0.524 1 . . . . A 43 HIS N . 31268 1 478 . 1 . 1 44 44 PRO HA H 1 4.602 0.02 1.000 1 . . . . A 44 PRO HA . 31268 1 479 . 1 . 1 44 44 PRO HB2 H 1 2.180 0.02 1.000 2 . . . . A 44 PRO HB2 . 31268 1 480 . 1 . 1 44 44 PRO HB3 H 1 2.180 0.02 1.000 2 . . . . A 44 PRO HB3 . 31268 1 481 . 1 . 1 44 44 PRO HG2 H 1 2.080 0.02 0.760 2 . . . . A 44 PRO HG2 . 31268 1 482 . 1 . 1 44 44 PRO HG3 H 1 2.100 0.02 0.710 2 . . . . A 44 PRO HG3 . 31268 1 483 . 1 . 1 44 44 PRO HD2 H 1 3.520 0.02 0.641 2 . . . . A 44 PRO HD2 . 31268 1 484 . 1 . 1 44 44 PRO HD3 H 1 3.490 0.02 0.523 2 . . . . A 44 PRO HD3 . 31268 1 485 . 1 . 1 44 44 PRO C C 13 178.438 0.20 1.000 1 . . . . A 44 PRO C . 31268 1 486 . 1 . 1 44 44 PRO CA C 13 64.771 0.20 1.000 1 . . . . A 44 PRO CA . 31268 1 487 . 1 . 1 44 44 PRO CB C 13 31.812 0.20 1.000 1 . . . . A 44 PRO CB . 31268 1 488 . 1 . 1 44 44 PRO CG C 13 27.600 0.20 1.000 1 . . . . A 44 PRO CG . 31268 1 489 . 1 . 1 44 44 PRO CD C 13 50.200 0.20 0.675 1 . . . . A 44 PRO CD . 31268 1 490 . 1 . 1 45 45 GLY H H 1 8.807 0.02 1.000 1 . . . . A 45 GLY H . 31268 1 491 . 1 . 1 45 45 GLY HA2 H 1 4.267 0.02 0.810 2 . . . . A 45 GLY HA2 . 31268 1 492 . 1 . 1 45 45 GLY HA3 H 1 3.604 0.02 0.813 2 . . . . A 45 GLY HA3 . 31268 1 493 . 1 . 1 45 45 GLY C C 13 173.274 0.20 1.000 1 . . . . A 45 GLY C . 31268 1 494 . 1 . 1 45 45 GLY CA C 13 46.534 0.20 1.000 1 . . . . A 45 GLY CA . 31268 1 495 . 1 . 1 45 45 GLY N N 15 109.281 0.20 1.000 1 . . . . A 45 GLY N . 31268 1 496 . 1 . 1 46 46 GLN H H 1 7.420 0.02 1.000 1 . . . . A 46 GLN H . 31268 1 497 . 1 . 1 46 46 GLN HA H 1 4.513 0.02 1.000 1 . . . . A 46 GLN HA . 31268 1 498 . 1 . 1 46 46 GLN HB2 H 1 1.965 0.02 1.000 2 . . . . A 46 GLN HB2 . 31268 1 499 . 1 . 1 46 46 GLN HB3 H 1 1.965 0.02 1.000 2 . . . . A 46 GLN HB3 . 31268 1 500 . 1 . 1 46 46 GLN HG2 H 1 2.160 0.02 1.000 2 . . . . A 46 GLN HG2 . 31268 1 501 . 1 . 1 46 46 GLN HG3 H 1 2.160 0.02 0.896 2 . . . . A 46 GLN HG3 . 31268 1 502 . 1 . 1 46 46 GLN C C 13 175.445 0.20 1.000 1 . . . . A 46 GLN C . 31268 1 503 . 1 . 1 46 46 GLN CA C 13 54.805 0.20 1.000 1 . . . . A 46 GLN CA . 31268 1 504 . 1 . 1 46 46 GLN CB C 13 30.616 0.20 1.000 1 . . . . A 46 GLN CB . 31268 1 505 . 1 . 1 46 46 GLN CG C 13 33.000 0.20 1.000 1 . . . . A 46 GLN CG . 31268 1 506 . 1 . 1 46 46 GLN N N 15 119.754 0.20 1.000 1 . . . . A 46 GLN N . 31268 1 507 . 1 . 1 47 47 VAL H H 1 8.940 0.02 1.000 1 . . . . A 47 VAL H . 31268 1 508 . 1 . 1 47 47 VAL HA H 1 4.023 0.02 1.000 1 . . . . A 47 VAL HA . 31268 1 509 . 1 . 1 47 47 VAL HB H 1 2.028 0.02 1.000 1 . . . . A 47 VAL HB . 31268 1 510 . 1 . 1 47 47 VAL HG11 H 1 0.930 0.02 0.868 2 . . . . A 47 VAL HG11 . 31268 1 511 . 1 . 1 47 47 VAL HG12 H 1 0.930 0.02 0.868 2 . . . . A 47 VAL HG12 . 31268 1 512 . 1 . 1 47 47 VAL HG13 H 1 0.930 0.02 0.868 2 . . . . A 47 VAL HG13 . 31268 1 513 . 1 . 1 47 47 VAL HG21 H 1 0.610 0.02 0.870 2 . . . . A 47 VAL HG21 . 31268 1 514 . 1 . 1 47 47 VAL HG22 H 1 0.610 0.02 0.870 2 . . . . A 47 VAL HG22 . 31268 1 515 . 1 . 1 47 47 VAL HG23 H 1 0.610 0.02 0.870 2 . . . . A 47 VAL HG23 . 31268 1 516 . 1 . 1 47 47 VAL C C 13 175.167 0.20 1.000 1 . . . . A 47 VAL C . 31268 1 517 . 1 . 1 47 47 VAL CA C 13 63.288 0.20 1.000 1 . . . . A 47 VAL CA . 31268 1 518 . 1 . 1 47 47 VAL CB C 13 30.620 0.20 1.000 1 . . . . A 47 VAL CB . 31268 1 519 . 1 . 1 47 47 VAL CG1 C 13 21.800 0.20 1.000 2 . . . . A 47 VAL CG1 . 31268 1 520 . 1 . 1 47 47 VAL CG2 C 13 21.400 0.20 1.000 2 . . . . A 47 VAL CG2 . 31268 1 521 . 1 . 1 47 47 VAL N N 15 124.497 0.20 1.000 1 . . . . A 47 VAL N . 31268 1 522 . 1 . 1 48 48 LEU H H 1 9.466 0.02 1.000 1 . . . . A 48 LEU H . 31268 1 523 . 1 . 1 48 48 LEU HA H 1 2.050 0.02 0.869 1 . . . . A 48 LEU HA . 31268 1 524 . 1 . 1 48 48 LEU HB2 H 1 1.102 0.02 0.891 2 . . . . A 48 LEU HB2 . 31268 1 525 . 1 . 1 48 48 LEU HB3 H 1 1.102 0.02 1.000 2 . . . . A 48 LEU HB3 . 31268 1 526 . 1 . 1 48 48 LEU HG H 1 1.540 0.02 1.000 1 . . . . A 48 LEU HG . 31268 1 527 . 1 . 1 48 48 LEU HD11 H 1 0.700 0.02 1.000 2 . . . . A 48 LEU HD11 . 31268 1 528 . 1 . 1 48 48 LEU HD12 H 1 0.700 0.02 1.000 2 . . . . A 48 LEU HD12 . 31268 1 529 . 1 . 1 48 48 LEU HD13 H 1 0.700 0.02 1.000 2 . . . . A 48 LEU HD13 . 31268 1 530 . 1 . 1 48 48 LEU HD21 H 1 0.880 0.02 0.801 2 . . . . A 48 LEU HD21 . 31268 1 531 . 1 . 1 48 48 LEU HD22 H 1 0.880 0.02 0.801 2 . . . . A 48 LEU HD22 . 31268 1 532 . 1 . 1 48 48 LEU HD23 H 1 0.880 0.02 0.801 2 . . . . A 48 LEU HD23 . 31268 1 533 . 1 . 1 48 48 LEU C C 13 175.916 0.20 1.000 1 . . . . A 48 LEU C . 31268 1 534 . 1 . 1 48 48 LEU CA C 13 52.890 0.20 1.000 1 . . . . A 48 LEU CA . 31268 1 535 . 1 . 1 48 48 LEU CB C 13 43.675 0.20 1.000 1 . . . . A 48 LEU CB . 31268 1 536 . 1 . 1 48 48 LEU CG C 13 27.100 0.20 0.446 1 . . . . A 48 LEU CG . 31268 1 537 . 1 . 1 48 48 LEU CD1 C 13 24.600 0.20 1.000 2 . . . . A 48 LEU CD1 . 31268 1 538 . 1 . 1 48 48 LEU CD2 C 13 24.400 0.20 1.000 2 . . . . A 48 LEU CD2 . 31268 1 539 . 1 . 1 48 48 LEU N N 15 131.560 0.20 1.000 1 . . . . A 48 LEU N . 31268 1 540 . 1 . 1 49 49 SER H H 1 8.849 0.02 1.000 1 . . . . A 49 SER H . 31268 1 541 . 1 . 1 49 49 SER HA H 1 4.823 0.02 1.000 1 . . . . A 49 SER HA . 31268 1 542 . 1 . 1 49 49 SER HB2 H 1 4.420 0.02 1.000 2 . . . . A 49 SER HB2 . 31268 1 543 . 1 . 1 49 49 SER HB3 H 1 4.368 0.02 1.000 2 . . . . A 49 SER HB3 . 31268 1 544 . 1 . 1 49 49 SER C C 13 175.126 0.20 1.000 1 . . . . A 49 SER C . 31268 1 545 . 1 . 1 49 49 SER CA C 13 57.310 0.20 1.000 1 . . . . A 49 SER CA . 31268 1 546 . 1 . 1 49 49 SER CB C 13 65.286 0.20 1.000 1 . . . . A 49 SER CB . 31268 1 547 . 1 . 1 49 49 SER N N 15 119.755 0.20 1.000 1 . . . . A 49 SER N . 31268 1 548 . 1 . 1 50 50 LYS H H 1 9.326 0.02 1.000 1 . . . . A 50 LYS H . 31268 1 549 . 1 . 1 50 50 LYS HA H 1 4.110 0.02 1.000 1 . . . . A 50 LYS HA . 31268 1 550 . 1 . 1 50 50 LYS HB2 H 1 2.031 0.02 1.000 2 . . . . A 50 LYS HB2 . 31268 1 551 . 1 . 1 50 50 LYS HB3 H 1 2.031 0.02 1.000 2 . . . . A 50 LYS HB3 . 31268 1 552 . 1 . 1 50 50 LYS HG2 H 1 1.390 0.02 0.159 2 . . . . A 50 LYS HG2 . 31268 1 553 . 1 . 1 50 50 LYS HG3 H 1 1.390 0.02 0.815 2 . . . . A 50 LYS HG3 . 31268 1 554 . 1 . 1 50 50 LYS HD2 H 1 1.700 0.02 0.443 2 . . . . A 50 LYS HD2 . 31268 1 555 . 1 . 1 50 50 LYS HD3 H 1 1.680 0.02 0.462 2 . . . . A 50 LYS HD3 . 31268 1 556 . 1 . 1 50 50 LYS HE2 H 1 3.010 0.02 0.526 2 . . . . A 50 LYS HE2 . 31268 1 557 . 1 . 1 50 50 LYS HE3 H 1 3.030 0.02 0.590 2 . . . . A 50 LYS HE3 . 31268 1 558 . 1 . 1 50 50 LYS C C 13 178.587 0.20 1.000 1 . . . . A 50 LYS C . 31268 1 559 . 1 . 1 50 50 LYS CA C 13 61.088 0.20 1.000 1 . . . . A 50 LYS CA . 31268 1 560 . 1 . 1 50 50 LYS CB C 13 32.318 0.20 1.000 1 . . . . A 50 LYS CB . 31268 1 561 . 1 . 1 50 50 LYS CD C 13 29.200 0.20 0.434 1 . . . . A 50 LYS CD . 31268 1 562 . 1 . 1 50 50 LYS CE C 13 41.900 0.20 0.444 1 . . . . A 50 LYS CE . 31268 1 563 . 1 . 1 50 50 LYS N N 15 120.451 0.20 1.000 1 . . . . A 50 LYS N . 31268 1 564 . 1 . 1 51 51 GLY H H 1 8.684 0.02 1.000 1 . . . . A 51 GLY H . 31268 1 565 . 1 . 1 51 51 GLY HA2 H 1 3.930 0.02 0.615 2 . . . . A 51 GLY HA2 . 31268 1 566 . 1 . 1 51 51 GLY HA3 H 1 3.800 0.02 0.505 2 . . . . A 51 GLY HA3 . 31268 1 567 . 1 . 1 51 51 GLY CA C 13 47.040 0.20 1.000 1 . . . . A 51 GLY CA . 31268 1 568 . 1 . 1 51 51 GLY N N 15 106.218 0.20 1.000 1 . . . . A 51 GLY N . 31268 1 569 . 1 . 1 52 52 HIS H H 1 7.294 0.02 0.002 1 . . . . A 52 HIS H . 31268 1 570 . 1 . 1 52 52 HIS HA H 1 4.420 0.02 0.871 1 . . . . A 52 HIS HA . 31268 1 571 . 1 . 1 52 52 HIS HB2 H 1 3.397 0.02 1.000 2 . . . . A 52 HIS HB2 . 31268 1 572 . 1 . 1 52 52 HIS HB3 H 1 2.930 0.02 0.799 2 . . . . A 52 HIS HB3 . 31268 1 573 . 1 . 1 52 52 HIS C C 13 178.866 0.20 1.000 1 . . . . A 52 HIS C . 31268 1 574 . 1 . 1 52 52 HIS CA C 13 59.518 0.20 1.000 1 . . . . A 52 HIS CA . 31268 1 575 . 1 . 1 52 52 HIS CB C 13 28.882 0.20 1.000 1 . . . . A 52 HIS CB . 31268 1 576 . 1 . 1 52 52 HIS N N 15 116.029 0.20 0.002 1 . . . . A 52 HIS N . 31268 1 577 . 1 . 1 53 53 LEU H H 1 8.469 0.02 1.000 1 . . . . A 53 LEU H . 31268 1 578 . 1 . 1 53 53 LEU HA H 1 3.613 0.02 1.000 1 . . . . A 53 LEU HA . 31268 1 579 . 1 . 1 53 53 LEU HB2 H 1 1.093 0.02 0.860 2 . . . . A 53 LEU HB2 . 31268 1 580 . 1 . 1 53 53 LEU HB3 H 1 1.093 0.02 1.000 2 . . . . A 53 LEU HB3 . 31268 1 581 . 1 . 1 53 53 LEU HG H 1 1.520 0.02 0.714 1 . . . . A 53 LEU HG . 31268 1 582 . 1 . 1 53 53 LEU HD11 H 1 0.830 0.02 0.590 2 . . . . A 53 LEU HD11 . 31268 1 583 . 1 . 1 53 53 LEU HD12 H 1 0.830 0.02 0.590 2 . . . . A 53 LEU HD12 . 31268 1 584 . 1 . 1 53 53 LEU HD13 H 1 0.830 0.02 0.590 2 . . . . A 53 LEU HD13 . 31268 1 585 . 1 . 1 53 53 LEU HD21 H 1 0.880 0.02 0.675 2 . . . . A 53 LEU HD21 . 31268 1 586 . 1 . 1 53 53 LEU HD22 H 1 0.880 0.02 0.675 2 . . . . A 53 LEU HD22 . 31268 1 587 . 1 . 1 53 53 LEU HD23 H 1 0.880 0.02 0.675 2 . . . . A 53 LEU HD23 . 31268 1 588 . 1 . 1 53 53 LEU C C 13 178.426 0.20 1.000 1 . . . . A 53 LEU C . 31268 1 589 . 1 . 1 53 53 LEU CA C 13 58.159 0.20 1.000 1 . . . . A 53 LEU CA . 31268 1 590 . 1 . 1 53 53 LEU CB C 13 38.882 0.20 1.000 1 . . . . A 53 LEU CB . 31268 1 591 . 1 . 1 53 53 LEU CG C 13 27.200 0.20 0.428 1 . . . . A 53 LEU CG . 31268 1 592 . 1 . 1 53 53 LEU CD1 C 13 24.700 0.20 1.000 2 . . . . A 53 LEU CD1 . 31268 1 593 . 1 . 1 53 53 LEU CD2 C 13 24.400 0.20 1.000 2 . . . . A 53 LEU CD2 . 31268 1 594 . 1 . 1 53 53 LEU N N 15 119.747 0.20 1.000 1 . . . . A 53 LEU N . 31268 1 595 . 1 . 1 54 54 ALA H H 1 8.681 0.02 1.000 1 . . . . A 54 ALA H . 31268 1 596 . 1 . 1 54 54 ALA HA H 1 4.010 0.02 0.530 1 . . . . A 54 ALA HA . 31268 1 597 . 1 . 1 54 54 ALA HB1 H 1 1.519 0.02 1.000 1 . . . . A 54 ALA HB1 . 31268 1 598 . 1 . 1 54 54 ALA HB2 H 1 1.519 0.02 1.000 1 . . . . A 54 ALA HB2 . 31268 1 599 . 1 . 1 54 54 ALA HB3 H 1 1.519 0.02 1.000 1 . . . . A 54 ALA HB3 . 31268 1 600 . 1 . 1 54 54 ALA C C 13 179.536 0.20 1.000 1 . . . . A 54 ALA C . 31268 1 601 . 1 . 1 54 54 ALA CA C 13 55.734 0.20 1.000 1 . . . . A 54 ALA CA . 31268 1 602 . 1 . 1 54 54 ALA CB C 13 18.158 0.20 1.000 1 . . . . A 54 ALA CB . 31268 1 603 . 1 . 1 54 54 ALA N N 15 121.014 0.20 1.000 1 . . . . A 54 ALA N . 31268 1 604 . 1 . 1 55 55 GLU H H 1 7.833 0.02 1.000 1 . . . . A 55 GLU H . 31268 1 605 . 1 . 1 55 55 GLU HA H 1 3.917 0.02 1.000 1 . . . . A 55 GLU HA . 31268 1 606 . 1 . 1 55 55 GLU HB2 H 1 1.830 0.02 0.652 2 . . . . A 55 GLU HB2 . 31268 1 607 . 1 . 1 55 55 GLU HB3 H 1 1.800 0.02 1.000 2 . . . . A 55 GLU HB3 . 31268 1 608 . 1 . 1 55 55 GLU HG2 H 1 1.930 0.02 1.000 2 . . . . A 55 GLU HG2 . 31268 1 609 . 1 . 1 55 55 GLU HG3 H 1 1.930 0.02 1.000 2 . . . . A 55 GLU HG3 . 31268 1 610 . 1 . 1 55 55 GLU C C 13 177.715 0.20 1.000 1 . . . . A 55 GLU C . 31268 1 611 . 1 . 1 55 55 GLU CA C 13 58.275 0.20 1.000 1 . . . . A 55 GLU CA . 31268 1 612 . 1 . 1 55 55 GLU CB C 13 29.664 0.20 1.000 1 . . . . A 55 GLU CB . 31268 1 613 . 1 . 1 55 55 GLU CG C 13 35.900 0.20 0.685 1 . . . . A 55 GLU CG . 31268 1 614 . 1 . 1 55 55 GLU N N 15 116.017 0.20 1.000 1 . . . . A 55 GLU N . 31268 1 615 . 1 . 1 56 56 HIS H H 1 7.500 0.02 1.000 1 . . . . A 56 HIS H . 31268 1 616 . 1 . 1 56 56 HIS HA H 1 4.277 0.02 1.000 1 . . . . A 56 HIS HA . 31268 1 617 . 1 . 1 56 56 HIS HB2 H 1 2.793 0.02 1.000 2 . . . . A 56 HIS HB2 . 31268 1 618 . 1 . 1 56 56 HIS HB3 H 1 2.210 0.02 1.000 2 . . . . A 56 HIS HB3 . 31268 1 619 . 1 . 1 56 56 HIS C C 13 174.997 0.20 1.000 1 . . . . A 56 HIS C . 31268 1 620 . 1 . 1 56 56 HIS CA C 13 57.707 0.20 1.000 1 . . . . A 56 HIS CA . 31268 1 621 . 1 . 1 56 56 HIS CB C 13 28.834 0.20 1.000 1 . . . . A 56 HIS CB . 31268 1 622 . 1 . 1 56 56 HIS N N 15 113.101 0.20 1.000 1 . . . . A 56 HIS N . 31268 1 623 . 1 . 1 57 57 LEU H H 1 7.814 0.02 1.000 1 . . . . A 57 LEU H . 31268 1 624 . 1 . 1 57 57 LEU HA H 1 4.150 0.02 1.000 1 . . . . A 57 LEU HA . 31268 1 625 . 1 . 1 57 57 LEU HB2 H 1 1.294 0.02 1.000 2 . . . . A 57 LEU HB2 . 31268 1 626 . 1 . 1 57 57 LEU HB3 H 1 1.294 0.02 1.000 2 . . . . A 57 LEU HB3 . 31268 1 627 . 1 . 1 57 57 LEU HG H 1 1.540 0.02 0.847 1 . . . . A 57 LEU HG . 31268 1 628 . 1 . 1 57 57 LEU HD11 H 1 0.880 0.02 0.692 2 . . . . A 57 LEU HD11 . 31268 1 629 . 1 . 1 57 57 LEU HD12 H 1 0.880 0.02 0.692 2 . . . . A 57 LEU HD12 . 31268 1 630 . 1 . 1 57 57 LEU HD13 H 1 0.880 0.02 0.692 2 . . . . A 57 LEU HD13 . 31268 1 631 . 1 . 1 57 57 LEU HD21 H 1 0.520 0.02 0.808 2 . . . . A 57 LEU HD21 . 31268 1 632 . 1 . 1 57 57 LEU HD22 H 1 0.520 0.02 0.808 2 . . . . A 57 LEU HD22 . 31268 1 633 . 1 . 1 57 57 LEU HD23 H 1 0.520 0.02 0.808 2 . . . . A 57 LEU HD23 . 31268 1 634 . 1 . 1 57 57 LEU C C 13 176.460 0.20 1.000 1 . . . . A 57 LEU C . 31268 1 635 . 1 . 1 57 57 LEU CA C 13 55.754 0.20 1.000 1 . . . . A 57 LEU CA . 31268 1 636 . 1 . 1 57 57 LEU CB C 13 43.734 0.20 1.000 1 . . . . A 57 LEU CB . 31268 1 637 . 1 . 1 57 57 LEU CG C 13 27.100 0.20 0.305 1 . . . . A 57 LEU CG . 31268 1 638 . 1 . 1 57 57 LEU CD1 C 13 24.400 0.20 1.000 2 . . . . A 57 LEU CD1 . 31268 1 639 . 1 . 1 57 57 LEU CD2 C 13 24.100 0.20 0.833 2 . . . . A 57 LEU CD2 . 31268 1 640 . 1 . 1 57 57 LEU N N 15 118.708 0.20 1.000 1 . . . . A 57 LEU N . 31268 1 641 . 1 . 1 58 58 TYR H H 1 7.633 0.02 1.000 1 . . . . A 58 TYR H . 31268 1 642 . 1 . 1 58 58 TYR HA H 1 4.653 0.02 1.000 1 . . . . A 58 TYR HA . 31268 1 643 . 1 . 1 58 58 TYR HB2 H 1 3.196 0.02 0.805 2 . . . . A 58 TYR HB2 . 31268 1 644 . 1 . 1 58 58 TYR HB3 H 1 2.822 0.02 0.799 2 . . . . A 58 TYR HB3 . 31268 1 645 . 1 . 1 58 58 TYR C C 13 175.244 0.20 1.000 1 . . . . A 58 TYR C . 31268 1 646 . 1 . 1 58 58 TYR CA C 13 57.383 0.20 1.000 1 . . . . A 58 TYR CA . 31268 1 647 . 1 . 1 58 58 TYR CB C 13 38.872 0.20 1.000 1 . . . . A 58 TYR CB . 31268 1 648 . 1 . 1 58 58 TYR N N 15 117.533 0.20 1.000 1 . . . . A 58 TYR N . 31268 1 649 . 1 . 1 59 59 ASP H H 1 8.251 0.02 1.000 1 . . . . A 59 ASP H . 31268 1 650 . 1 . 1 59 59 ASP HA H 1 4.557 0.02 1.000 1 . . . . A 59 ASP HA . 31268 1 651 . 1 . 1 59 59 ASP HB2 H 1 2.698 0.02 1.000 2 . . . . A 59 ASP HB2 . 31268 1 652 . 1 . 1 59 59 ASP HB3 H 1 2.698 0.02 1.000 2 . . . . A 59 ASP HB3 . 31268 1 653 . 1 . 1 59 59 ASP C C 13 176.610 0.20 1.000 1 . . . . A 59 ASP C . 31268 1 654 . 1 . 1 59 59 ASP CA C 13 54.628 0.20 1.000 1 . . . . A 59 ASP CA . 31268 1 655 . 1 . 1 59 59 ASP CB C 13 41.131 0.20 1.000 1 . . . . A 59 ASP CB . 31268 1 656 . 1 . 1 59 59 ASP N N 15 120.865 0.20 1.000 1 . . . . A 59 ASP N . 31268 1 657 . 1 . 1 60 60 GLY H H 1 8.261 0.02 1.000 1 . . . . A 60 GLY H . 31268 1 658 . 1 . 1 60 60 GLY HA2 H 1 4.030 0.02 1.000 2 . . . . A 60 GLY HA2 . 31268 1 659 . 1 . 1 60 60 GLY HA3 H 1 3.937 0.02 0.893 2 . . . . A 60 GLY HA3 . 31268 1 660 . 1 . 1 60 60 GLY C C 13 174.416 0.20 1.000 1 . . . . A 60 GLY C . 31268 1 661 . 1 . 1 60 60 GLY CA C 13 45.300 0.20 1.000 1 . . . . A 60 GLY CA . 31268 1 662 . 1 . 1 60 60 GLY N N 15 109.044 0.20 1.000 1 . . . . A 60 GLY N . 31268 1 663 . 1 . 1 61 61 GLU H H 1 8.224 0.02 1.000 1 . . . . A 61 GLU H . 31268 1 664 . 1 . 1 61 61 GLU HA H 1 4.360 0.02 0.702 1 . . . . A 61 GLU HA . 31268 1 665 . 1 . 1 61 61 GLU HB2 H 1 2.077 0.02 1.000 2 . . . . A 61 GLU HB2 . 31268 1 666 . 1 . 1 61 61 GLU HB3 H 1 2.077 0.02 1.000 2 . . . . A 61 GLU HB3 . 31268 1 667 . 1 . 1 61 61 GLU HG2 H 1 2.240 0.02 0.873 2 . . . . A 61 GLU HG2 . 31268 1 668 . 1 . 1 61 61 GLU HG3 H 1 2.210 0.02 0.867 2 . . . . A 61 GLU HG3 . 31268 1 669 . 1 . 1 61 61 GLU C C 13 176.922 0.20 1.000 1 . . . . A 61 GLU C . 31268 1 670 . 1 . 1 61 61 GLU CA C 13 56.748 0.20 1.000 1 . . . . A 61 GLU CA . 31268 1 671 . 1 . 1 61 61 GLU CB C 13 30.296 0.20 1.000 1 . . . . A 61 GLU CB . 31268 1 672 . 1 . 1 61 61 GLU CG C 13 36.200 0.20 1.000 1 . . . . A 61 GLU CG . 31268 1 673 . 1 . 1 61 61 GLU N N 15 120.445 0.20 1.000 1 . . . . A 61 GLU N . 31268 1 674 . 1 . 1 62 62 THR H H 1 8.227 0.02 1.000 1 . . . . A 62 THR H . 31268 1 675 . 1 . 1 62 62 THR HA H 1 4.400 0.02 1.000 1 . . . . A 62 THR HA . 31268 1 676 . 1 . 1 62 62 THR HB H 1 3.917 0.02 0.883 1 . . . . A 62 THR HB . 31268 1 677 . 1 . 1 62 62 THR HG21 H 1 1.100 0.02 1.000 1 . . . . A 62 THR HG21 . 31268 1 678 . 1 . 1 62 62 THR HG22 H 1 1.100 0.02 1.000 1 . . . . A 62 THR HG22 . 31268 1 679 . 1 . 1 62 62 THR HG23 H 1 1.100 0.02 1.000 1 . . . . A 62 THR HG23 . 31268 1 680 . 1 . 1 62 62 THR CA C 13 62.600 0.20 1.000 1 . . . . A 62 THR CA . 31268 1 681 . 1 . 1 62 62 THR CB C 13 69.200 0.20 0.449 1 . . . . A 62 THR CB . 31268 1 682 . 1 . 1 62 62 THR CG2 C 13 22.200 0.20 1.000 1 . . . . A 62 THR CG2 . 31268 1 683 . 1 . 1 62 62 THR N N 15 114.553 0.20 1.000 1 . . . . A 62 THR N . 31268 1 684 . 1 . 1 63 63 GLU H H 1 7.500 0.02 0.479 1 . . . . A 63 GLU H . 31268 1 685 . 1 . 1 63 63 GLU HA H 1 4.240 0.02 1.000 1 . . . . A 63 GLU HA . 31268 1 686 . 1 . 1 63 63 GLU HB2 H 1 1.990 0.02 1.000 2 . . . . A 63 GLU HB2 . 31268 1 687 . 1 . 1 63 63 GLU HB3 H 1 1.990 0.02 1.000 2 . . . . A 63 GLU HB3 . 31268 1 688 . 1 . 1 63 63 GLU HG2 H 1 2.240 0.02 0.654 2 . . . . A 63 GLU HG2 . 31268 1 689 . 1 . 1 63 63 GLU HG3 H 1 2.220 0.02 0.535 2 . . . . A 63 GLU HG3 . 31268 1 690 . 1 . 1 63 63 GLU C C 13 175.986 0.20 0.524 1 . . . . A 63 GLU C . 31268 1 691 . 1 . 1 63 63 GLU CA C 13 57.000 0.20 1.000 1 . . . . A 63 GLU CA . 31268 1 692 . 1 . 1 63 63 GLU CB C 13 29.700 0.20 1.000 1 . . . . A 63 GLU CB . 31268 1 693 . 1 . 1 63 63 GLU CG C 13 36.200 0.20 0.514 1 . . . . A 63 GLU CG . 31268 1 694 . 1 . 1 63 63 GLU N N 15 113.101 0.20 0.479 1 . . . . A 63 GLU N . 31268 1 695 . 1 . 1 64 64 ARG H H 1 8.315 0.02 0.524 1 . . . . A 64 ARG H . 31268 1 696 . 1 . 1 64 64 ARG HA H 1 4.105 0.02 1.000 1 . . . . A 64 ARG HA . 31268 1 697 . 1 . 1 64 64 ARG HB2 H 1 1.731 0.02 1.000 2 . . . . A 64 ARG HB2 . 31268 1 698 . 1 . 1 64 64 ARG HB3 H 1 1.731 0.02 0.544 2 . . . . A 64 ARG HB3 . 31268 1 699 . 1 . 1 64 64 ARG HG2 H 1 1.480 0.02 0.715 2 . . . . A 64 ARG HG2 . 31268 1 700 . 1 . 1 64 64 ARG HG3 H 1 1.560 0.02 0.458 2 . . . . A 64 ARG HG3 . 31268 1 701 . 1 . 1 64 64 ARG HD2 H 1 3.200 0.02 0.636 2 . . . . A 64 ARG HD2 . 31268 1 702 . 1 . 1 64 64 ARG HD3 H 1 3.080 0.02 0.259 2 . . . . A 64 ARG HD3 . 31268 1 703 . 1 . 1 64 64 ARG C C 13 176.281 0.20 1.000 1 . . . . A 64 ARG C . 31268 1 704 . 1 . 1 64 64 ARG CA C 13 56.943 0.20 1.000 1 . . . . A 64 ARG CA . 31268 1 705 . 1 . 1 64 64 ARG CB C 13 30.647 0.20 1.000 1 . . . . A 64 ARG CB . 31268 1 706 . 1 . 1 64 64 ARG CG C 13 27.100 0.20 0.591 1 . . . . A 64 ARG CG . 31268 1 707 . 1 . 1 64 64 ARG CD C 13 43.300 0.20 0.610 1 . . . . A 64 ARG CD . 31268 1 708 . 1 . 1 64 64 ARG N N 15 122.245 0.20 0.524 1 . . . . A 64 ARG N . 31268 1 709 . 1 . 1 65 65 ASP H H 1 8.159 0.02 1.000 1 . . . . A 65 ASP H . 31268 1 710 . 1 . 1 65 65 ASP HA H 1 4.661 0.02 1.000 1 . . . . A 65 ASP HA . 31268 1 711 . 1 . 1 65 65 ASP HB2 H 1 2.699 0.02 1.000 2 . . . . A 65 ASP HB2 . 31268 1 712 . 1 . 1 65 65 ASP HB3 H 1 2.699 0.02 1.000 2 . . . . A 65 ASP HB3 . 31268 1 713 . 1 . 1 65 65 ASP C C 13 176.731 0.20 1.000 1 . . . . A 65 ASP C . 31268 1 714 . 1 . 1 65 65 ASP CA C 13 53.996 0.20 1.000 1 . . . . A 65 ASP CA . 31268 1 715 . 1 . 1 65 65 ASP CB C 13 41.237 0.20 1.000 1 . . . . A 65 ASP CB . 31268 1 716 . 1 . 1 65 65 ASP N N 15 119.833 0.20 1.000 1 . . . . A 65 ASP N . 31268 1 717 . 1 . 1 66 66 SER H H 1 8.413 0.02 1.000 1 . . . . A 66 SER H . 31268 1 718 . 1 . 1 66 66 SER HA H 1 4.220 0.02 0.846 1 . . . . A 66 SER HA . 31268 1 719 . 1 . 1 66 66 SER HB2 H 1 3.483 0.02 0.300 2 . . . . A 66 SER HB2 . 31268 1 720 . 1 . 1 66 66 SER HB3 H 1 3.483 0.02 0.592 2 . . . . A 66 SER HB3 . 31268 1 721 . 1 . 1 66 66 SER CA C 13 58.258 0.20 0.773 1 . . . . A 66 SER CA . 31268 1 722 . 1 . 1 66 66 SER CB C 13 63.381 0.20 1.000 1 . . . . A 66 SER CB . 31268 1 723 . 1 . 1 66 66 SER N N 15 117.974 0.20 1.000 1 . . . . A 66 SER N . 31268 1 724 . 1 . 1 67 67 ASN H H 1 8.619 0.02 1.000 1 . . . . A 67 ASN H . 31268 1 725 . 1 . 1 67 67 ASN HA H 1 4.719 0.02 1.000 1 . . . . A 67 ASN HA . 31268 1 726 . 1 . 1 67 67 ASN HB2 H 1 2.846 0.02 1.000 2 . . . . A 67 ASN HB2 . 31268 1 727 . 1 . 1 67 67 ASN HB3 H 1 2.846 0.02 1.000 2 . . . . A 67 ASN HB3 . 31268 1 728 . 1 . 1 67 67 ASN C C 13 176.536 0.20 1.000 1 . . . . A 67 ASN C . 31268 1 729 . 1 . 1 67 67 ASN CA C 13 54.463 0.20 1.000 1 . . . . A 67 ASN CA . 31268 1 730 . 1 . 1 67 67 ASN CB C 13 38.390 0.20 1.000 1 . . . . A 67 ASN CB . 31268 1 731 . 1 . 1 67 67 ASN N N 15 120.471 0.20 1.000 1 . . . . A 67 ASN N . 31268 1 732 . 1 . 1 68 68 VAL H H 1 7.553 0.02 1.000 1 . . . . A 68 VAL H . 31268 1 733 . 1 . 1 68 68 VAL HA H 1 3.712 0.02 1.000 1 . . . . A 68 VAL HA . 31268 1 734 . 1 . 1 68 68 VAL HB H 1 2.044 0.02 1.000 1 . . . . A 68 VAL HB . 31268 1 735 . 1 . 1 68 68 VAL HG11 H 1 0.840 0.02 0.393 2 . . . . A 68 VAL HG11 . 31268 1 736 . 1 . 1 68 68 VAL HG12 H 1 0.840 0.02 0.393 2 . . . . A 68 VAL HG12 . 31268 1 737 . 1 . 1 68 68 VAL HG13 H 1 0.840 0.02 0.393 2 . . . . A 68 VAL HG13 . 31268 1 738 . 1 . 1 68 68 VAL HG21 H 1 0.830 0.02 0.795 2 . . . . A 68 VAL HG21 . 31268 1 739 . 1 . 1 68 68 VAL HG22 H 1 0.830 0.02 0.795 2 . . . . A 68 VAL HG22 . 31268 1 740 . 1 . 1 68 68 VAL HG23 H 1 0.830 0.02 0.795 2 . . . . A 68 VAL HG23 . 31268 1 741 . 1 . 1 68 68 VAL CA C 13 64.697 0.20 1.000 1 . . . . A 68 VAL CA . 31268 1 742 . 1 . 1 68 68 VAL CB C 13 31.817 0.20 1.000 1 . . . . A 68 VAL CB . 31268 1 743 . 1 . 1 68 68 VAL CG1 C 13 21.200 0.20 1.000 2 . . . . A 68 VAL CG1 . 31268 1 744 . 1 . 1 68 68 VAL CG2 C 13 20.900 0.20 1.000 2 . . . . A 68 VAL CG2 . 31268 1 745 . 1 . 1 68 68 VAL N N 15 118.455 0.20 1.000 1 . . . . A 68 VAL N . 31268 1 746 . 1 . 1 69 69 ILE H H 1 7.674 0.02 1.000 1 . . . . A 69 ILE H . 31268 1 747 . 1 . 1 69 69 ILE HB H 1 2.210 0.02 0.869 1 . . . . A 69 ILE HB . 31268 1 748 . 1 . 1 69 69 ILE HG12 H 1 1.090 0.02 0.500 2 . . . . A 69 ILE HG12 . 31268 1 749 . 1 . 1 69 69 ILE HG13 H 1 1.090 0.02 0.497 2 . . . . A 69 ILE HG13 . 31268 1 750 . 1 . 1 69 69 ILE HG21 H 1 0.860 0.02 1.000 1 . . . . A 69 ILE HG21 . 31268 1 751 . 1 . 1 69 69 ILE HG22 H 1 0.860 0.02 1.000 1 . . . . A 69 ILE HG22 . 31268 1 752 . 1 . 1 69 69 ILE HG23 H 1 0.860 0.02 1.000 1 . . . . A 69 ILE HG23 . 31268 1 753 . 1 . 1 69 69 ILE HD11 H 1 2.090 0.02 1.000 1 . . . . A 69 ILE HD11 . 31268 1 754 . 1 . 1 69 69 ILE HD12 H 1 2.090 0.02 1.000 1 . . . . A 69 ILE HD12 . 31268 1 755 . 1 . 1 69 69 ILE HD13 H 1 2.090 0.02 1.000 1 . . . . A 69 ILE HD13 . 31268 1 756 . 1 . 1 69 69 ILE C C 13 177.113 0.20 1.000 1 . . . . A 69 ILE C . 31268 1 757 . 1 . 1 69 69 ILE CA C 13 63.689 0.20 1.000 1 . . . . A 69 ILE CA . 31268 1 758 . 1 . 1 69 69 ILE CB C 13 36.382 0.20 1.000 1 . . . . A 69 ILE CB . 31268 1 759 . 1 . 1 69 69 ILE CG1 C 13 26.900 0.20 0.452 1 . . . . A 69 ILE CG1 . 31268 1 760 . 1 . 1 69 69 ILE CG2 C 13 18.100 0.20 1.000 1 . . . . A 69 ILE CG2 . 31268 1 761 . 1 . 1 69 69 ILE CD1 C 13 11.600 0.20 0.629 1 . . . . A 69 ILE CD1 . 31268 1 762 . 1 . 1 69 69 ILE N N 15 119.948 0.20 1.000 1 . . . . A 69 ILE N . 31268 1 763 . 1 . 1 70 70 GLU H H 1 7.885 0.02 1.000 1 . . . . A 70 GLU H . 31268 1 764 . 1 . 1 70 70 GLU HA H 1 3.849 0.02 1.000 1 . . . . A 70 GLU HA . 31268 1 765 . 1 . 1 70 70 GLU HB2 H 1 1.820 0.02 0.777 2 . . . . A 70 GLU HB2 . 31268 1 766 . 1 . 1 70 70 GLU HB3 H 1 1.800 0.02 0.846 2 . . . . A 70 GLU HB3 . 31268 1 767 . 1 . 1 70 70 GLU HG2 H 1 1.930 0.02 1.000 2 . . . . A 70 GLU HG2 . 31268 1 768 . 1 . 1 70 70 GLU HG3 H 1 1.930 0.02 1.000 2 . . . . A 70 GLU HG3 . 31268 1 769 . 1 . 1 70 70 GLU C C 13 178.506 0.20 1.000 1 . . . . A 70 GLU C . 31268 1 770 . 1 . 1 70 70 GLU CA C 13 59.624 0.20 1.000 1 . . . . A 70 GLU CA . 31268 1 771 . 1 . 1 70 70 GLU CB C 13 29.565 0.20 1.000 1 . . . . A 70 GLU CB . 31268 1 772 . 1 . 1 70 70 GLU CG C 13 35.900 0.20 0.886 1 . . . . A 70 GLU CG . 31268 1 773 . 1 . 1 70 70 GLU N N 15 118.866 0.20 1.000 1 . . . . A 70 GLU N . 31268 1 774 . 1 . 1 71 71 VAL H H 1 7.370 0.02 1.000 1 . . . . A 71 VAL H . 31268 1 775 . 1 . 1 71 71 VAL HA H 1 3.558 0.02 1.000 1 . . . . A 71 VAL HA . 31268 1 776 . 1 . 1 71 71 VAL HB H 1 1.953 0.02 1.000 1 . . . . A 71 VAL HB . 31268 1 777 . 1 . 1 71 71 VAL HG11 H 1 0.580 0.02 0.383 2 . . . . A 71 VAL HG11 . 31268 1 778 . 1 . 1 71 71 VAL HG12 H 1 0.580 0.02 0.383 2 . . . . A 71 VAL HG12 . 31268 1 779 . 1 . 1 71 71 VAL HG13 H 1 0.580 0.02 0.383 2 . . . . A 71 VAL HG13 . 31268 1 780 . 1 . 1 71 71 VAL HG21 H 1 0.610 0.02 0.498 2 . . . . A 71 VAL HG21 . 31268 1 781 . 1 . 1 71 71 VAL HG22 H 1 0.610 0.02 0.498 2 . . . . A 71 VAL HG22 . 31268 1 782 . 1 . 1 71 71 VAL HG23 H 1 0.610 0.02 0.498 2 . . . . A 71 VAL HG23 . 31268 1 783 . 1 . 1 71 71 VAL C C 13 178.734 0.20 1.000 1 . . . . A 71 VAL C . 31268 1 784 . 1 . 1 71 71 VAL CA C 13 66.131 0.20 1.000 1 . . . . A 71 VAL CA . 31268 1 785 . 1 . 1 71 71 VAL CB C 13 31.252 0.20 1.000 1 . . . . A 71 VAL CB . 31268 1 786 . 1 . 1 71 71 VAL CG1 C 13 21.000 0.20 0.832 2 . . . . A 71 VAL CG1 . 31268 1 787 . 1 . 1 71 71 VAL CG2 C 13 21.400 0.20 0.489 2 . . . . A 71 VAL CG2 . 31268 1 788 . 1 . 1 71 71 VAL N N 15 119.293 0.20 1.000 1 . . . . A 71 VAL N . 31268 1 789 . 1 . 1 72 72 HIS H H 1 7.915 0.02 1.000 1 . . . . A 72 HIS H . 31268 1 790 . 1 . 1 72 72 HIS HA H 1 4.591 0.02 1.000 1 . . . . A 72 HIS HA . 31268 1 791 . 1 . 1 72 72 HIS HB2 H 1 2.845 0.02 0.572 2 . . . . A 72 HIS HB2 . 31268 1 792 . 1 . 1 72 72 HIS HB3 H 1 2.845 0.02 1.000 2 . . . . A 72 HIS HB3 . 31268 1 793 . 1 . 1 72 72 HIS C C 13 178.830 0.20 1.000 1 . . . . A 72 HIS C . 31268 1 794 . 1 . 1 72 72 HIS CA C 13 59.426 0.20 1.000 1 . . . . A 72 HIS CA . 31268 1 795 . 1 . 1 72 72 HIS CB C 13 31.521 0.20 1.000 1 . . . . A 72 HIS CB . 31268 1 796 . 1 . 1 72 72 HIS N N 15 118.752 0.20 1.000 1 . . . . A 72 HIS N . 31268 1 797 . 1 . 1 73 73 VAL H H 1 8.818 0.02 1.000 1 . . . . A 73 VAL H . 31268 1 798 . 1 . 1 73 73 VAL HA H 1 3.390 0.02 1.000 1 . . . . A 73 VAL HA . 31268 1 799 . 1 . 1 73 73 VAL HG11 H 1 0.530 0.02 1.000 2 . . . . A 73 VAL HG11 . 31268 1 800 . 1 . 1 73 73 VAL HG12 H 1 0.530 0.02 1.000 2 . . . . A 73 VAL HG12 . 31268 1 801 . 1 . 1 73 73 VAL HG13 H 1 0.530 0.02 1.000 2 . . . . A 73 VAL HG13 . 31268 1 802 . 1 . 1 73 73 VAL HG21 H 1 0.580 0.02 1.000 2 . . . . A 73 VAL HG21 . 31268 1 803 . 1 . 1 73 73 VAL HG22 H 1 0.580 0.02 1.000 2 . . . . A 73 VAL HG22 . 31268 1 804 . 1 . 1 73 73 VAL HG23 H 1 0.580 0.02 1.000 2 . . . . A 73 VAL HG23 . 31268 1 805 . 1 . 1 73 73 VAL CA C 13 68.047 0.20 1.000 1 . . . . A 73 VAL CA . 31268 1 806 . 1 . 1 73 73 VAL CB C 13 31.837 0.20 1.000 1 . . . . A 73 VAL CB . 31268 1 807 . 1 . 1 73 73 VAL CG1 C 13 23.100 0.20 1.000 2 . . . . A 73 VAL CG1 . 31268 1 808 . 1 . 1 73 73 VAL CG2 C 13 20.800 0.20 1.000 2 . . . . A 73 VAL CG2 . 31268 1 809 . 1 . 1 73 73 VAL N N 15 120.121 0.20 1.000 1 . . . . A 73 VAL N . 31268 1 810 . 1 . 1 74 74 ASN H H 1 8.849 0.02 1.000 1 . . . . A 74 ASN H . 31268 1 811 . 1 . 1 74 74 ASN HB2 H 1 2.392 0.02 1.000 2 . . . . A 74 ASN HB2 . 31268 1 812 . 1 . 1 74 74 ASN HB3 H 1 2.392 0.02 1.000 2 . . . . A 74 ASN HB3 . 31268 1 813 . 1 . 1 74 74 ASN CA C 13 55.600 0.20 0.716 1 . . . . A 74 ASN CA . 31268 1 814 . 1 . 1 74 74 ASN CB C 13 36.800 0.20 1.000 1 . . . . A 74 ASN CB . 31268 1 815 . 1 . 1 74 74 ASN N N 15 118.528 0.20 1.000 1 . . . . A 74 ASN N . 31268 1 816 . 1 . 1 75 75 HIS H H 1 7.608 0.02 0.872 1 . . . . A 75 HIS H . 31268 1 817 . 1 . 1 75 75 HIS HA H 1 4.531 0.02 1.000 1 . . . . A 75 HIS HA . 31268 1 818 . 1 . 1 75 75 HIS HB2 H 1 3.483 0.02 1.000 2 . . . . A 75 HIS HB2 . 31268 1 819 . 1 . 1 75 75 HIS HB3 H 1 3.483 0.02 1.000 2 . . . . A 75 HIS HB3 . 31268 1 820 . 1 . 1 75 75 HIS C C 13 178.065 0.20 1.000 1 . . . . A 75 HIS C . 31268 1 821 . 1 . 1 75 75 HIS CA C 13 58.258 0.20 0.874 1 . . . . A 75 HIS CA . 31268 1 822 . 1 . 1 75 75 HIS CB C 13 29.168 0.20 1.000 1 . . . . A 75 HIS CB . 31268 1 823 . 1 . 1 75 75 HIS N N 15 112.579 0.20 0.872 1 . . . . A 75 HIS N . 31268 1 824 . 1 . 1 76 76 LEU H H 1 8.619 0.02 1.000 1 . . . . A 76 LEU H . 31268 1 825 . 1 . 1 76 76 LEU HB2 H 1 1.137 0.02 1.000 2 . . . . A 76 LEU HB2 . 31268 1 826 . 1 . 1 76 76 LEU HB3 H 1 1.137 0.02 1.000 2 . . . . A 76 LEU HB3 . 31268 1 827 . 1 . 1 76 76 LEU HG H 1 1.520 0.02 0.649 1 . . . . A 76 LEU HG . 31268 1 828 . 1 . 1 76 76 LEU HD11 H 1 0.930 0.02 1.000 2 . . . . A 76 LEU HD11 . 31268 1 829 . 1 . 1 76 76 LEU HD12 H 1 0.930 0.02 1.000 2 . . . . A 76 LEU HD12 . 31268 1 830 . 1 . 1 76 76 LEU HD13 H 1 0.930 0.02 1.000 2 . . . . A 76 LEU HD13 . 31268 1 831 . 1 . 1 76 76 LEU HD21 H 1 0.880 0.02 0.800 2 . . . . A 76 LEU HD21 . 31268 1 832 . 1 . 1 76 76 LEU HD22 H 1 0.880 0.02 0.800 2 . . . . A 76 LEU HD22 . 31268 1 833 . 1 . 1 76 76 LEU HD23 H 1 0.880 0.02 0.800 2 . . . . A 76 LEU HD23 . 31268 1 834 . 1 . 1 76 76 LEU C C 13 178.881 0.20 1.000 1 . . . . A 76 LEU C . 31268 1 835 . 1 . 1 76 76 LEU CA C 13 58.257 0.20 1.000 1 . . . . A 76 LEU CA . 31268 1 836 . 1 . 1 76 76 LEU CB C 13 42.415 0.20 1.000 1 . . . . A 76 LEU CB . 31268 1 837 . 1 . 1 76 76 LEU CG C 13 27.200 0.20 0.633 1 . . . . A 76 LEU CG . 31268 1 838 . 1 . 1 76 76 LEU CD1 C 13 24.700 0.20 0.743 2 . . . . A 76 LEU CD1 . 31268 1 839 . 1 . 1 76 76 LEU CD2 C 13 24.400 0.20 0.744 2 . . . . A 76 LEU CD2 . 31268 1 840 . 1 . 1 76 76 LEU N N 15 120.471 0.20 1.000 1 . . . . A 76 LEU N . 31268 1 841 . 1 . 1 77 77 ARG H H 1 8.513 0.02 1.000 1 . . . . A 77 ARG H . 31268 1 842 . 1 . 1 77 77 ARG HA H 1 4.076 0.02 1.000 1 . . . . A 77 ARG HA . 31268 1 843 . 1 . 1 77 77 ARG HB2 H 1 1.864 0.02 0.865 2 . . . . A 77 ARG HB2 . 31268 1 844 . 1 . 1 77 77 ARG HB3 H 1 1.864 0.02 0.810 2 . . . . A 77 ARG HB3 . 31268 1 845 . 1 . 1 77 77 ARG HG2 H 1 1.600 0.02 1.000 2 . . . . A 77 ARG HG2 . 31268 1 846 . 1 . 1 77 77 ARG HG3 H 1 1.570 0.02 1.000 2 . . . . A 77 ARG HG3 . 31268 1 847 . 1 . 1 77 77 ARG HD2 H 1 3.200 0.02 1.000 2 . . . . A 77 ARG HD2 . 31268 1 848 . 1 . 1 77 77 ARG HD3 H 1 3.200 0.02 1.000 2 . . . . A 77 ARG HD3 . 31268 1 849 . 1 . 1 77 77 ARG C C 13 179.589 0.20 1.000 1 . . . . A 77 ARG C . 31268 1 850 . 1 . 1 77 77 ARG CA C 13 58.281 0.20 1.000 1 . . . . A 77 ARG CA . 31268 1 851 . 1 . 1 77 77 ARG CB C 13 31.440 0.20 1.000 1 . . . . A 77 ARG CB . 31268 1 852 . 1 . 1 77 77 ARG CG C 13 27.200 0.20 0.672 1 . . . . A 77 ARG CG . 31268 1 853 . 1 . 1 77 77 ARG CD C 13 43.200 0.20 1.000 1 . . . . A 77 ARG CD . 31268 1 854 . 1 . 1 77 77 ARG N N 15 118.347 0.20 1.000 1 . . . . A 77 ARG N . 31268 1 855 . 1 . 1 78 78 ARG H H 1 7.990 0.02 1.000 1 . . . . A 78 ARG H . 31268 1 856 . 1 . 1 78 78 ARG HA H 1 4.055 0.02 1.000 1 . . . . A 78 ARG HA . 31268 1 857 . 1 . 1 78 78 ARG HB2 H 1 2.064 0.02 1.000 2 . . . . A 78 ARG HB2 . 31268 1 858 . 1 . 1 78 78 ARG HB3 H 1 2.064 0.02 1.000 2 . . . . A 78 ARG HB3 . 31268 1 859 . 1 . 1 78 78 ARG HG2 H 1 1.680 0.02 1.000 2 . . . . A 78 ARG HG2 . 31268 1 860 . 1 . 1 78 78 ARG HG3 H 1 1.680 0.02 1.000 2 . . . . A 78 ARG HG3 . 31268 1 861 . 1 . 1 78 78 ARG HD2 H 1 3.220 0.02 0.888 2 . . . . A 78 ARG HD2 . 31268 1 862 . 1 . 1 78 78 ARG HD3 H 1 3.190 0.02 0.862 2 . . . . A 78 ARG HD3 . 31268 1 863 . 1 . 1 78 78 ARG C C 13 178.249 0.20 1.000 1 . . . . A 78 ARG C . 31268 1 864 . 1 . 1 78 78 ARG CA C 13 59.056 0.20 1.000 1 . . . . A 78 ARG CA . 31268 1 865 . 1 . 1 78 78 ARG CB C 13 30.062 0.20 1.000 1 . . . . A 78 ARG CB . 31268 1 866 . 1 . 1 78 78 ARG CG C 13 27.300 0.20 1.000 1 . . . . A 78 ARG CG . 31268 1 867 . 1 . 1 78 78 ARG CD C 13 43.200 0.20 1.000 1 . . . . A 78 ARG CD . 31268 1 868 . 1 . 1 78 78 ARG N N 15 119.857 0.20 1.000 1 . . . . A 78 ARG N . 31268 1 869 . 1 . 1 79 79 LYS H H 1 7.682 0.02 1.000 1 . . . . A 79 LYS H . 31268 1 870 . 1 . 1 79 79 LYS HA H 1 4.193 0.02 1.000 1 . . . . A 79 LYS HA . 31268 1 871 . 1 . 1 79 79 LYS HB2 H 1 1.751 0.02 1.000 2 . . . . A 79 LYS HB2 . 31268 1 872 . 1 . 1 79 79 LYS HB3 H 1 1.751 0.02 1.000 2 . . . . A 79 LYS HB3 . 31268 1 873 . 1 . 1 79 79 LYS HG2 H 1 1.420 0.02 0.150 2 . . . . A 79 LYS HG2 . 31268 1 874 . 1 . 1 79 79 LYS HG3 H 1 1.390 0.02 1.000 2 . . . . A 79 LYS HG3 . 31268 1 875 . 1 . 1 79 79 LYS HD2 H 1 1.690 0.02 0.287 2 . . . . A 79 LYS HD2 . 31268 1 876 . 1 . 1 79 79 LYS HD3 H 1 1.670 0.02 0.278 2 . . . . A 79 LYS HD3 . 31268 1 877 . 1 . 1 79 79 LYS HE2 H 1 3.020 0.02 0.762 2 . . . . A 79 LYS HE2 . 31268 1 878 . 1 . 1 79 79 LYS HE3 H 1 3.000 0.02 0.499 2 . . . . A 79 LYS HE3 . 31268 1 879 . 1 . 1 79 79 LYS C C 13 177.880 0.20 1.000 1 . . . . A 79 LYS C . 31268 1 880 . 1 . 1 79 79 LYS CA C 13 59.180 0.20 1.000 1 . . . . A 79 LYS CA . 31268 1 881 . 1 . 1 79 79 LYS CB C 13 34.511 0.20 1.000 1 . . . . A 79 LYS CB . 31268 1 882 . 1 . 1 79 79 LYS CD C 13 29.300 0.20 0.506 1 . . . . A 79 LYS CD . 31268 1 883 . 1 . 1 79 79 LYS CE C 13 41.900 0.20 0.692 1 . . . . A 79 LYS CE . 31268 1 884 . 1 . 1 79 79 LYS N N 15 115.978 0.20 1.000 1 . . . . A 79 LYS N . 31268 1 885 . 1 . 1 80 80 LEU H H 1 8.393 0.02 1.000 1 . . . . A 80 LEU H . 31268 1 886 . 1 . 1 80 80 LEU HA H 1 4.554 0.02 1.000 1 . . . . A 80 LEU HA . 31268 1 887 . 1 . 1 80 80 LEU HB2 H 1 2.399 0.02 1.000 2 . . . . A 80 LEU HB2 . 31268 1 888 . 1 . 1 80 80 LEU HB3 H 1 1.770 0.02 1.000 2 . . . . A 80 LEU HB3 . 31268 1 889 . 1 . 1 80 80 LEU HG H 1 1.670 0.02 1.000 1 . . . . A 80 LEU HG . 31268 1 890 . 1 . 1 80 80 LEU HD11 H 1 0.700 0.02 0.464 2 . . . . A 80 LEU HD11 . 31268 1 891 . 1 . 1 80 80 LEU HD12 H 1 0.700 0.02 0.464 2 . . . . A 80 LEU HD12 . 31268 1 892 . 1 . 1 80 80 LEU HD13 H 1 0.700 0.02 0.464 2 . . . . A 80 LEU HD13 . 31268 1 893 . 1 . 1 80 80 LEU HD21 H 1 0.880 0.02 0.771 2 . . . . A 80 LEU HD21 . 31268 1 894 . 1 . 1 80 80 LEU HD22 H 1 0.880 0.02 0.771 2 . . . . A 80 LEU HD22 . 31268 1 895 . 1 . 1 80 80 LEU HD23 H 1 0.880 0.02 0.771 2 . . . . A 80 LEU HD23 . 31268 1 896 . 1 . 1 80 80 LEU C C 13 175.957 0.20 1.000 1 . . . . A 80 LEU C . 31268 1 897 . 1 . 1 80 80 LEU CA C 13 55.047 0.20 1.000 1 . . . . A 80 LEU CA . 31268 1 898 . 1 . 1 80 80 LEU CB C 13 43.756 0.20 1.000 1 . . . . A 80 LEU CB . 31268 1 899 . 1 . 1 80 80 LEU CG C 13 27.200 0.20 0.734 1 . . . . A 80 LEU CG . 31268 1 900 . 1 . 1 80 80 LEU CD1 C 13 24.700 0.20 1.000 2 . . . . A 80 LEU CD1 . 31268 1 901 . 1 . 1 80 80 LEU CD2 C 13 24.400 0.20 1.000 2 . . . . A 80 LEU CD2 . 31268 1 902 . 1 . 1 80 80 LEU N N 15 115.009 0.20 1.000 1 . . . . A 80 LEU N . 31268 1 903 . 1 . 1 81 81 GLY H H 1 7.648 0.02 1.000 1 . . . . A 81 GLY H . 31268 1 904 . 1 . 1 81 81 GLY HA2 H 1 4.524 0.02 1.000 2 . . . . A 81 GLY HA2 . 31268 1 905 . 1 . 1 81 81 GLY HA3 H 1 3.769 0.02 1.000 2 . . . . A 81 GLY HA3 . 31268 1 906 . 1 . 1 81 81 GLY C C 13 174.940 0.20 1.000 1 . . . . A 81 GLY C . 31268 1 907 . 1 . 1 81 81 GLY CA C 13 44.750 0.20 1.000 1 . . . . A 81 GLY CA . 31268 1 908 . 1 . 1 81 81 GLY N N 15 108.797 0.20 1.000 1 . . . . A 81 GLY N . 31268 1 909 . 1 . 1 82 82 ARG H H 1 8.384 0.02 1.000 1 . . . . A 82 ARG H . 31268 1 910 . 1 . 1 82 82 ARG HA H 1 3.800 0.02 1.000 1 . . . . A 82 ARG HA . 31268 1 911 . 1 . 1 82 82 ARG HB2 H 1 1.875 0.02 1.000 2 . . . . A 82 ARG HB2 . 31268 1 912 . 1 . 1 82 82 ARG HB3 H 1 1.875 0.02 1.000 2 . . . . A 82 ARG HB3 . 31268 1 913 . 1 . 1 82 82 ARG HG2 H 1 1.550 0.02 0.739 2 . . . . A 82 ARG HG2 . 31268 1 914 . 1 . 1 82 82 ARG HG3 H 1 1.460 0.02 0.499 2 . . . . A 82 ARG HG3 . 31268 1 915 . 1 . 1 82 82 ARG HD2 H 1 3.200 0.02 1.000 2 . . . . A 82 ARG HD2 . 31268 1 916 . 1 . 1 82 82 ARG HD3 H 1 3.180 0.02 0.509 2 . . . . A 82 ARG HD3 . 31268 1 917 . 1 . 1 82 82 ARG C C 13 176.923 0.20 1.000 1 . . . . A 82 ARG C . 31268 1 918 . 1 . 1 82 82 ARG CA C 13 59.333 0.20 1.000 1 . . . . A 82 ARG CA . 31268 1 919 . 1 . 1 82 82 ARG CB C 13 30.468 0.20 1.000 1 . . . . A 82 ARG CB . 31268 1 920 . 1 . 1 82 82 ARG CG C 13 27.100 0.20 0.789 1 . . . . A 82 ARG CG . 31268 1 921 . 1 . 1 82 82 ARG CD C 13 43.300 0.20 1.000 1 . . . . A 82 ARG CD . 31268 1 922 . 1 . 1 82 82 ARG N N 15 122.199 0.20 1.000 1 . . . . A 82 ARG N . 31268 1 923 . 1 . 1 83 83 GLU H H 1 9.006 0.02 1.000 1 . . . . A 83 GLU H . 31268 1 924 . 1 . 1 83 83 GLU HA H 1 4.200 0.02 1.000 1 . . . . A 83 GLU HA . 31268 1 925 . 1 . 1 83 83 GLU HB2 H 1 2.032 0.02 1.000 2 . . . . A 83 GLU HB2 . 31268 1 926 . 1 . 1 83 83 GLU HB3 H 1 2.032 0.02 1.000 2 . . . . A 83 GLU HB3 . 31268 1 927 . 1 . 1 83 83 GLU HG2 H 1 2.240 0.02 0.650 2 . . . . A 83 GLU HG2 . 31268 1 928 . 1 . 1 83 83 GLU HG3 H 1 2.220 0.02 0.523 2 . . . . A 83 GLU HG3 . 31268 1 929 . 1 . 1 83 83 GLU C C 13 176.804 0.20 1.000 1 . . . . A 83 GLU C . 31268 1 930 . 1 . 1 83 83 GLU CA C 13 56.370 0.20 1.000 1 . . . . A 83 GLU CA . 31268 1 931 . 1 . 1 83 83 GLU CB C 13 28.811 0.20 1.000 1 . . . . A 83 GLU CB . 31268 1 932 . 1 . 1 83 83 GLU CG C 13 36.200 0.20 1.000 1 . . . . A 83 GLU CG . 31268 1 933 . 1 . 1 83 83 GLU N N 15 115.254 0.20 1.000 1 . . . . A 83 GLU N . 31268 1 934 . 1 . 1 84 84 VAL H H 1 7.446 0.02 1.000 1 . . . . A 84 VAL H . 31268 1 935 . 1 . 1 84 84 VAL HA H 1 3.886 0.02 1.000 1 . . . . A 84 VAL HA . 31268 1 936 . 1 . 1 84 84 VAL HB H 1 1.938 0.02 1.000 1 . . . . A 84 VAL HB . 31268 1 937 . 1 . 1 84 84 VAL HG11 H 1 0.870 0.02 1.000 2 . . . . A 84 VAL HG11 . 31268 1 938 . 1 . 1 84 84 VAL HG12 H 1 0.870 0.02 1.000 2 . . . . A 84 VAL HG12 . 31268 1 939 . 1 . 1 84 84 VAL HG13 H 1 0.870 0.02 1.000 2 . . . . A 84 VAL HG13 . 31268 1 940 . 1 . 1 84 84 VAL HG21 H 1 0.920 0.02 0.472 2 . . . . A 84 VAL HG21 . 31268 1 941 . 1 . 1 84 84 VAL HG22 H 1 0.920 0.02 0.472 2 . . . . A 84 VAL HG22 . 31268 1 942 . 1 . 1 84 84 VAL HG23 H 1 0.920 0.02 0.472 2 . . . . A 84 VAL HG23 . 31268 1 943 . 1 . 1 84 84 VAL C C 13 175.384 0.20 1.000 1 . . . . A 84 VAL C . 31268 1 944 . 1 . 1 84 84 VAL CA C 13 64.462 0.20 1.000 1 . . . . A 84 VAL CA . 31268 1 945 . 1 . 1 84 84 VAL CB C 13 31.784 0.20 1.000 1 . . . . A 84 VAL CB . 31268 1 946 . 1 . 1 84 84 VAL CG1 C 13 21.100 0.20 0.899 2 . . . . A 84 VAL CG1 . 31268 1 947 . 1 . 1 84 84 VAL CG2 C 13 21.500 0.20 1.000 2 . . . . A 84 VAL CG2 . 31268 1 948 . 1 . 1 84 84 VAL N N 15 117.644 0.20 1.000 1 . . . . A 84 VAL N . 31268 1 949 . 1 . 1 85 85 ILE H H 1 6.596 0.02 1.000 1 . . . . A 85 ILE H . 31268 1 950 . 1 . 1 85 85 ILE HA H 1 4.434 0.02 1.000 1 . . . . A 85 ILE HA . 31268 1 951 . 1 . 1 85 85 ILE HB H 1 1.193 0.02 1.000 1 . . . . A 85 ILE HB . 31268 1 952 . 1 . 1 85 85 ILE HG12 H 1 1.090 0.02 0.500 2 . . . . A 85 ILE HG12 . 31268 1 953 . 1 . 1 85 85 ILE HG13 H 1 1.090 0.02 0.500 2 . . . . A 85 ILE HG13 . 31268 1 954 . 1 . 1 85 85 ILE HG21 H 1 0.860 0.02 1.000 1 . . . . A 85 ILE HG21 . 31268 1 955 . 1 . 1 85 85 ILE HG22 H 1 0.860 0.02 1.000 1 . . . . A 85 ILE HG22 . 31268 1 956 . 1 . 1 85 85 ILE HG23 H 1 0.860 0.02 1.000 1 . . . . A 85 ILE HG23 . 31268 1 957 . 1 . 1 85 85 ILE C C 13 174.487 0.20 1.000 1 . . . . A 85 ILE C . 31268 1 958 . 1 . 1 85 85 ILE CA C 13 59.288 0.20 1.000 1 . . . . A 85 ILE CA . 31268 1 959 . 1 . 1 85 85 ILE CB C 13 41.993 0.20 1.000 1 . . . . A 85 ILE CB . 31268 1 960 . 1 . 1 85 85 ILE CG1 C 13 30.000 0.20 0.500 1 . . . . A 85 ILE CG1 . 31268 1 961 . 1 . 1 85 85 ILE CG2 C 13 18.100 0.20 1.000 1 . . . . A 85 ILE CG2 . 31268 1 962 . 1 . 1 85 85 ILE CD1 C 13 12.300 0.20 0.438 1 . . . . A 85 ILE CD1 . 31268 1 963 . 1 . 1 85 85 ILE N N 15 115.867 0.20 1.000 1 . . . . A 85 ILE N . 31268 1 964 . 1 . 1 86 86 GLU H H 1 9.445 0.02 1.000 1 . . . . A 86 GLU H . 31268 1 965 . 1 . 1 86 86 GLU HA H 1 4.604 0.02 1.000 1 . . . . A 86 GLU HA . 31268 1 966 . 1 . 1 86 86 GLU HB2 H 1 2.060 0.02 1.000 2 . . . . A 86 GLU HB2 . 31268 1 967 . 1 . 1 86 86 GLU HB3 H 1 2.060 0.02 1.000 2 . . . . A 86 GLU HB3 . 31268 1 968 . 1 . 1 86 86 GLU HG2 H 1 2.230 0.02 0.444 2 . . . . A 86 GLU HG2 . 31268 1 969 . 1 . 1 86 86 GLU HG3 H 1 2.210 0.02 0.509 2 . . . . A 86 GLU HG3 . 31268 1 970 . 1 . 1 86 86 GLU C C 13 176.876 0.20 1.000 1 . . . . A 86 GLU C . 31268 1 971 . 1 . 1 86 86 GLU CA C 13 54.350 0.20 1.000 1 . . . . A 86 GLU CA . 31268 1 972 . 1 . 1 86 86 GLU CB C 13 32.587 0.20 1.000 1 . . . . A 86 GLU CB . 31268 1 973 . 1 . 1 86 86 GLU CG C 13 36.300 0.20 0.675 1 . . . . A 86 GLU CG . 31268 1 974 . 1 . 1 86 86 GLU N N 15 128.777 0.20 1.000 1 . . . . A 86 GLU N . 31268 1 975 . 1 . 1 87 87 THR H H 1 9.309 0.02 1.000 1 . . . . A 87 THR H . 31268 1 976 . 1 . 1 87 87 THR HA H 1 4.298 0.02 1.000 1 . . . . A 87 THR HA . 31268 1 977 . 1 . 1 87 87 THR HB H 1 4.190 0.02 1.000 1 . . . . A 87 THR HB . 31268 1 978 . 1 . 1 87 87 THR HG21 H 1 1.170 0.02 1.000 1 . . . . A 87 THR HG21 . 31268 1 979 . 1 . 1 87 87 THR HG22 H 1 1.170 0.02 1.000 1 . . . . A 87 THR HG22 . 31268 1 980 . 1 . 1 87 87 THR HG23 H 1 1.170 0.02 1.000 1 . . . . A 87 THR HG23 . 31268 1 981 . 1 . 1 87 87 THR C C 13 173.982 0.20 1.000 1 . . . . A 87 THR C . 31268 1 982 . 1 . 1 87 87 THR CA C 13 62.720 0.20 1.000 1 . . . . A 87 THR CA . 31268 1 983 . 1 . 1 87 87 THR CB C 13 69.507 0.20 1.000 1 . . . . A 87 THR CB . 31268 1 984 . 1 . 1 87 87 THR CG2 C 13 21.800 0.20 1.000 1 . . . . A 87 THR CG2 . 31268 1 985 . 1 . 1 87 87 THR N N 15 122.304 0.20 1.000 1 . . . . A 87 THR N . 31268 1 986 . 1 . 1 88 88 ARG H H 1 8.600 0.02 1.000 1 . . . . A 88 ARG H . 31268 1 987 . 1 . 1 88 88 ARG HA H 1 4.602 0.02 1.000 1 . . . . A 88 ARG HA . 31268 1 988 . 1 . 1 88 88 ARG HB2 H 1 1.800 0.02 0.808 2 . . . . A 88 ARG HB2 . 31268 1 989 . 1 . 1 88 88 ARG HB3 H 1 1.700 0.02 0.800 2 . . . . A 88 ARG HB3 . 31268 1 990 . 1 . 1 88 88 ARG HG2 H 1 1.550 0.02 0.659 2 . . . . A 88 ARG HG2 . 31268 1 991 . 1 . 1 88 88 ARG HG3 H 1 1.570 0.02 0.593 2 . . . . A 88 ARG HG3 . 31268 1 992 . 1 . 1 88 88 ARG HD2 H 1 3.190 0.02 1.000 2 . . . . A 88 ARG HD2 . 31268 1 993 . 1 . 1 88 88 ARG HD3 H 1 3.220 0.02 1.000 2 . . . . A 88 ARG HD3 . 31268 1 994 . 1 . 1 88 88 ARG C C 13 175.148 0.20 1.000 1 . . . . A 88 ARG C . 31268 1 995 . 1 . 1 88 88 ARG CA C 13 52.876 0.20 1.000 1 . . . . A 88 ARG CA . 31268 1 996 . 1 . 1 88 88 ARG CB C 13 29.422 0.20 1.000 1 . . . . A 88 ARG CB . 31268 1 997 . 1 . 1 88 88 ARG CG C 13 27.100 0.20 1.000 1 . . . . A 88 ARG CG . 31268 1 998 . 1 . 1 88 88 ARG CD C 13 43.200 0.20 0.803 1 . . . . A 88 ARG CD . 31268 1 999 . 1 . 1 88 88 ARG N N 15 127.875 0.20 1.000 1 . . . . A 88 ARG N . 31268 1 1000 . 1 . 1 89 89 ARG H H 1 8.899 0.02 1.000 1 . . . . A 89 ARG H . 31268 1 1001 . 1 . 1 89 89 ARG HA H 1 4.399 0.02 1.000 1 . . . . A 89 ARG HA . 31268 1 1002 . 1 . 1 89 89 ARG HB2 H 1 2.077 0.02 0.500 2 . . . . A 89 ARG HB2 . 31268 1 1003 . 1 . 1 89 89 ARG HB3 H 1 2.077 0.02 0.500 2 . . . . A 89 ARG HB3 . 31268 1 1004 . 1 . 1 89 89 ARG HG2 H 1 1.550 0.02 0.561 2 . . . . A 89 ARG HG2 . 31268 1 1005 . 1 . 1 89 89 ARG HG3 H 1 1.570 0.02 0.504 2 . . . . A 89 ARG HG3 . 31268 1 1006 . 1 . 1 89 89 ARG HD2 H 1 3.200 0.02 1.000 2 . . . . A 89 ARG HD2 . 31268 1 1007 . 1 . 1 89 89 ARG HD3 H 1 3.200 0.02 1.000 2 . . . . A 89 ARG HD3 . 31268 1 1008 . 1 . 1 89 89 ARG CA C 13 58.348 0.20 0.668 1 . . . . A 89 ARG CA . 31268 1 1009 . 1 . 1 89 89 ARG CB C 13 30.296 0.20 0.500 1 . . . . A 89 ARG CB . 31268 1 1010 . 1 . 1 89 89 ARG CG C 13 27.100 0.20 0.881 1 . . . . A 89 ARG CG . 31268 1 1011 . 1 . 1 89 89 ARG CD C 13 43.200 0.20 1.000 1 . . . . A 89 ARG CD . 31268 1 1012 . 1 . 1 89 89 ARG N N 15 127.007 0.20 1.000 1 . . . . A 89 ARG N . 31268 1 1013 . 1 . 1 90 90 GLY H H 1 8.227 0.02 1.000 1 . . . . A 90 GLY H . 31268 1 1014 . 1 . 1 90 90 GLY HA2 H 1 4.201 0.02 1.000 2 . . . . A 90 GLY HA2 . 31268 1 1015 . 1 . 1 90 90 GLY HA3 H 1 3.778 0.02 1.000 2 . . . . A 90 GLY HA3 . 31268 1 1016 . 1 . 1 90 90 GLY C C 13 174.029 0.20 1.000 1 . . . . A 90 GLY C . 31268 1 1017 . 1 . 1 90 90 GLY CA C 13 45.647 0.20 1.000 1 . . . . A 90 GLY CA . 31268 1 1018 . 1 . 1 90 90 GLY N N 15 114.553 0.20 1.000 1 . . . . A 90 GLY N . 31268 1 1019 . 1 . 1 91 91 GLN H H 1 8.220 0.02 1.000 1 . . . . A 91 GLN H . 31268 1 1020 . 1 . 1 91 91 GLN HA H 1 4.500 0.02 1.000 1 . . . . A 91 GLN HA . 31268 1 1021 . 1 . 1 91 91 GLN HB2 H 1 1.672 0.02 1.000 2 . . . . A 91 GLN HB2 . 31268 1 1022 . 1 . 1 91 91 GLN HB3 H 1 1.672 0.02 1.000 2 . . . . A 91 GLN HB3 . 31268 1 1023 . 1 . 1 91 91 GLN HG2 H 1 2.390 0.02 0.555 2 . . . . A 91 GLN HG2 . 31268 1 1024 . 1 . 1 91 91 GLN HG3 H 1 2.420 0.02 0.480 2 . . . . A 91 GLN HG3 . 31268 1 1025 . 1 . 1 91 91 GLN C C 13 175.300 0.20 1.000 1 . . . . A 91 GLN C . 31268 1 1026 . 1 . 1 91 91 GLN CA C 13 56.421 0.20 1.000 1 . . . . A 91 GLN CA . 31268 1 1027 . 1 . 1 91 91 GLN CB C 13 31.975 0.20 1.000 1 . . . . A 91 GLN CB . 31268 1 1028 . 1 . 1 91 91 GLN CG C 13 33.800 0.20 0.725 1 . . . . A 91 GLN CG . 31268 1 1029 . 1 . 1 91 91 GLN N N 15 117.360 0.20 1.000 1 . . . . A 91 GLN N . 31268 1 1030 . 1 . 1 92 92 GLY H H 1 7.894 0.02 1.000 1 . . . . A 92 GLY H . 31268 1 1031 . 1 . 1 92 92 GLY HA2 H 1 4.416 0.02 0.729 2 . . . . A 92 GLY HA2 . 31268 1 1032 . 1 . 1 92 92 GLY HA3 H 1 3.481 0.02 0.734 2 . . . . A 92 GLY HA3 . 31268 1 1033 . 1 . 1 92 92 GLY C C 13 171.413 0.20 1.000 1 . . . . A 92 GLY C . 31268 1 1034 . 1 . 1 92 92 GLY CA C 13 45.216 0.20 1.000 1 . . . . A 92 GLY CA . 31268 1 1035 . 1 . 1 92 92 GLY N N 15 105.387 0.20 1.000 1 . . . . A 92 GLY N . 31268 1 1036 . 1 . 1 93 93 TYR H H 1 8.967 0.02 1.000 1 . . . . A 93 TYR H . 31268 1 1037 . 1 . 1 93 93 TYR HA H 1 5.576 0.02 1.000 1 . . . . A 93 TYR HA . 31268 1 1038 . 1 . 1 93 93 TYR HB2 H 1 2.956 0.02 1.000 2 . . . . A 93 TYR HB2 . 31268 1 1039 . 1 . 1 93 93 TYR HB3 H 1 2.956 0.02 1.000 2 . . . . A 93 TYR HB3 . 31268 1 1040 . 1 . 1 93 93 TYR C C 13 174.511 0.20 1.000 1 . . . . A 93 TYR C . 31268 1 1041 . 1 . 1 93 93 TYR CA C 13 56.499 0.20 1.000 1 . . . . A 93 TYR CA . 31268 1 1042 . 1 . 1 93 93 TYR CB C 13 43.992 0.20 1.000 1 . . . . A 93 TYR CB . 31268 1 1043 . 1 . 1 93 93 TYR N N 15 121.740 0.20 1.000 1 . . . . A 93 TYR N . 31268 1 1044 . 1 . 1 94 94 ARG H H 1 9.151 0.02 1.000 1 . . . . A 94 ARG H . 31268 1 1045 . 1 . 1 94 94 ARG HA H 1 5.205 0.02 1.000 1 . . . . A 94 ARG HA . 31268 1 1046 . 1 . 1 94 94 ARG HB2 H 1 1.319 0.02 1.000 2 . . . . A 94 ARG HB2 . 31268 1 1047 . 1 . 1 94 94 ARG HB3 H 1 1.319 0.02 1.000 2 . . . . A 94 ARG HB3 . 31268 1 1048 . 1 . 1 94 94 ARG HG2 H 1 1.160 0.02 0.648 2 . . . . A 94 ARG HG2 . 31268 1 1049 . 1 . 1 94 94 ARG HG3 H 1 1.240 0.02 0.678 2 . . . . A 94 ARG HG3 . 31268 1 1050 . 1 . 1 94 94 ARG HD2 H 1 2.900 0.02 1.000 2 . . . . A 94 ARG HD2 . 31268 1 1051 . 1 . 1 94 94 ARG HD3 H 1 2.900 0.02 0.456 2 . . . . A 94 ARG HD3 . 31268 1 1052 . 1 . 1 94 94 ARG C C 13 174.267 0.20 1.000 1 . . . . A 94 ARG C . 31268 1 1053 . 1 . 1 94 94 ARG CA C 13 54.156 0.20 1.000 1 . . . . A 94 ARG CA . 31268 1 1054 . 1 . 1 94 94 ARG CB C 13 36.183 0.20 1.000 1 . . . . A 94 ARG CB . 31268 1 1055 . 1 . 1 94 94 ARG CG C 13 27.000 0.20 1.000 1 . . . . A 94 ARG CG . 31268 1 1056 . 1 . 1 94 94 ARG CD C 13 43.400 0.20 1.000 1 . . . . A 94 ARG CD . 31268 1 1057 . 1 . 1 94 94 ARG N N 15 121.204 0.20 1.000 1 . . . . A 94 ARG N . 31268 1 1058 . 1 . 1 95 95 TYR H H 1 10.158 0.02 1.000 1 . . . . A 95 TYR H . 31268 1 1059 . 1 . 1 95 95 TYR HA H 1 4.490 0.02 1.000 1 . . . . A 95 TYR HA . 31268 1 1060 . 1 . 1 95 95 TYR HB2 H 1 2.894 0.02 1.000 2 . . . . A 95 TYR HB2 . 31268 1 1061 . 1 . 1 95 95 TYR HB3 H 1 2.894 0.02 1.000 2 . . . . A 95 TYR HB3 . 31268 1 1062 . 1 . 1 95 95 TYR C C 13 173.682 0.20 1.000 1 . . . . A 95 TYR C . 31268 1 1063 . 1 . 1 95 95 TYR CA C 13 58.562 0.20 1.000 1 . . . . A 95 TYR CA . 31268 1 1064 . 1 . 1 95 95 TYR CB C 13 39.398 0.20 1.000 1 . . . . A 95 TYR CB . 31268 1 1065 . 1 . 1 95 95 TYR N N 15 129.611 0.20 1.000 1 . . . . A 95 TYR N . 31268 1 1066 . 1 . 1 96 96 ALA H H 1 8.163 0.02 1.000 1 . . . . A 96 ALA H . 31268 1 1067 . 1 . 1 96 96 ALA HA H 1 4.207 0.02 1.000 1 . . . . A 96 ALA HA . 31268 1 1068 . 1 . 1 96 96 ALA HB1 H 1 1.288 0.02 1.000 1 . . . . A 96 ALA HB1 . 31268 1 1069 . 1 . 1 96 96 ALA HB2 H 1 1.288 0.02 1.000 1 . . . . A 96 ALA HB2 . 31268 1 1070 . 1 . 1 96 96 ALA HB3 H 1 1.288 0.02 1.000 1 . . . . A 96 ALA HB3 . 31268 1 1071 . 1 . 1 96 96 ALA C C 13 177.539 0.20 1.000 1 . . . . A 96 ALA C . 31268 1 1072 . 1 . 1 96 96 ALA CA C 13 52.118 0.20 1.000 1 . . . . A 96 ALA CA . 31268 1 1073 . 1 . 1 96 96 ALA CB C 13 20.819 0.20 1.000 1 . . . . A 96 ALA CB . 31268 1 1074 . 1 . 1 96 96 ALA N N 15 132.992 0.20 1.000 1 . . . . A 96 ALA N . 31268 1 1075 . 1 . 1 97 97 GLY H H 1 6.589 0.02 1.000 1 . . . . A 97 GLY H . 31268 1 1076 . 1 . 1 97 97 GLY HA2 H 1 4.069 0.02 0.743 2 . . . . A 97 GLY HA2 . 31268 1 1077 . 1 . 1 97 97 GLY HA3 H 1 3.347 0.02 0.858 2 . . . . A 97 GLY HA3 . 31268 1 1078 . 1 . 1 97 97 GLY C C 13 172.431 0.20 1.000 1 . . . . A 97 GLY C . 31268 1 1079 . 1 . 1 97 97 GLY CA C 13 44.977 0.20 1.000 1 . . . . A 97 GLY CA . 31268 1 1080 . 1 . 1 97 97 GLY N N 15 104.224 0.20 1.000 1 . . . . A 97 GLY N . 31268 1 1081 . 1 . 1 98 98 VAL H H 1 7.931 0.02 1.000 1 . . . . A 98 VAL H . 31268 1 1082 . 1 . 1 98 98 VAL HA H 1 4.219 0.02 1.000 1 . . . . A 98 VAL HA . 31268 1 1083 . 1 . 1 98 98 VAL HB H 1 0.900 0.02 0.723 1 . . . . A 98 VAL HB . 31268 1 1084 . 1 . 1 98 98 VAL HG11 H 1 1.170 0.02 0.407 2 . . . . A 98 VAL HG11 . 31268 1 1085 . 1 . 1 98 98 VAL HG12 H 1 1.170 0.02 0.407 2 . . . . A 98 VAL HG12 . 31268 1 1086 . 1 . 1 98 98 VAL HG13 H 1 1.170 0.02 0.407 2 . . . . A 98 VAL HG13 . 31268 1 1087 . 1 . 1 98 98 VAL HG21 H 1 0.930 0.02 1.000 2 . . . . A 98 VAL HG21 . 31268 1 1088 . 1 . 1 98 98 VAL HG22 H 1 0.930 0.02 1.000 2 . . . . A 98 VAL HG22 . 31268 1 1089 . 1 . 1 98 98 VAL HG23 H 1 0.930 0.02 1.000 2 . . . . A 98 VAL HG23 . 31268 1 1090 . 1 . 1 98 98 VAL C C 13 175.791 0.20 1.000 1 . . . . A 98 VAL C . 31268 1 1091 . 1 . 1 98 98 VAL CA C 13 61.370 0.20 1.000 1 . . . . A 98 VAL CA . 31268 1 1092 . 1 . 1 98 98 VAL CB C 13 33.333 0.20 1.000 1 . . . . A 98 VAL CB . 31268 1 1093 . 1 . 1 98 98 VAL CG1 C 13 21.700 0.20 0.388 2 . . . . A 98 VAL CG1 . 31268 1 1094 . 1 . 1 98 98 VAL CG2 C 13 21.400 0.20 1.000 2 . . . . A 98 VAL CG2 . 31268 1 1095 . 1 . 1 98 98 VAL N N 15 115.310 0.20 1.000 1 . . . . A 98 VAL N . 31268 1 1096 . 1 . 1 99 99 ALA H H 1 8.400 0.02 1.000 1 . . . . A 99 ALA H . 31268 1 1097 . 1 . 1 99 99 ALA HA H 1 4.330 0.02 1.000 1 . . . . A 99 ALA HA . 31268 1 1098 . 1 . 1 99 99 ALA HB1 H 1 1.347 0.02 1.000 1 . . . . A 99 ALA HB1 . 31268 1 1099 . 1 . 1 99 99 ALA HB2 H 1 1.347 0.02 1.000 1 . . . . A 99 ALA HB2 . 31268 1 1100 . 1 . 1 99 99 ALA HB3 H 1 1.347 0.02 1.000 1 . . . . A 99 ALA HB3 . 31268 1 1101 . 1 . 1 99 99 ALA C C 13 177.156 0.20 1.000 1 . . . . A 99 ALA C . 31268 1 1102 . 1 . 1 99 99 ALA CA C 13 52.201 0.20 1.000 1 . . . . A 99 ALA CA . 31268 1 1103 . 1 . 1 99 99 ALA CB C 13 19.195 0.20 1.000 1 . . . . A 99 ALA CB . 31268 1 1104 . 1 . 1 99 99 ALA N N 15 127.630 0.20 1.000 1 . . . . A 99 ALA N . 31268 1 1105 . 1 . 1 100 100 ALA H H 1 8.288 0.02 1.000 1 . . . . A 100 ALA H . 31268 1 1106 . 1 . 1 100 100 ALA HA H 1 4.312 0.02 1.000 1 . . . . A 100 ALA HA . 31268 1 1107 . 1 . 1 100 100 ALA HB1 H 1 0.401 0.02 1.000 1 . . . . A 100 ALA HB1 . 31268 1 1108 . 1 . 1 100 100 ALA HB2 H 1 0.401 0.02 1.000 1 . . . . A 100 ALA HB2 . 31268 1 1109 . 1 . 1 100 100 ALA HB3 H 1 0.401 0.02 1.000 1 . . . . A 100 ALA HB3 . 31268 1 1110 . 1 . 1 100 100 ALA C C 13 178.192 0.20 1.000 1 . . . . A 100 ALA C . 31268 1 1111 . 1 . 1 100 100 ALA CA C 13 52.547 0.20 1.000 1 . . . . A 100 ALA CA . 31268 1 1112 . 1 . 1 100 100 ALA CB C 13 19.330 0.20 1.000 1 . . . . A 100 ALA CB . 31268 1 1113 . 1 . 1 100 100 ALA N N 15 123.541 0.20 1.000 1 . . . . A 100 ALA N . 31268 1 1114 . 1 . 1 101 101 GLY H H 1 8.353 0.02 1.000 1 . . . . A 101 GLY H . 31268 1 1115 . 1 . 1 101 101 GLY CA C 13 45.300 0.20 1.000 1 . . . . A 101 GLY CA . 31268 1 1116 . 1 . 1 101 101 GLY N N 15 108.222 0.20 1.000 1 . . . . A 101 GLY N . 31268 1 stop_ save_