################################### # 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 51929 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assignments for mini-NS2B' _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 0.1 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51929 1 2 '3D HNCACB' . . . 51929 1 3 '3D HNCA' . . . 51929 1 5 '3D HBHANH' . . . 51929 1 6 '3D H(CCO)NH' . . . 51929 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 51929 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 C C 13 174.903 0.400 . 1 . . . . . 1 MET C . 51929 1 2 . 1 . 1 1 1 MET CA C 13 54.768 0.400 . 1 . . . . . 1 MET CA . 51929 1 3 . 1 . 1 1 1 MET CB C 13 33.088 0.400 . 1 . . . . . 1 MET CB . 51929 1 4 . 1 . 1 1 1 MET N N 15 128.082 0.400 . 1 . . . . . 1 MET N . 51929 1 5 . 1 . 1 2 2 ASN H H 1 8.417 0.020 . 1 . . . . . 2 ASN H . 51929 1 6 . 1 . 1 2 2 ASN HA H 1 4.783 0.020 . 1 . . . . . 2 ASN HA . 51929 1 7 . 1 . 1 2 2 ASN HB2 H 1 2.956 0.020 . 2 . . . . . 2 ASN HB2 . 51929 1 8 . 1 . 1 2 2 ASN C C 13 174.861 0.400 . 1 . . . . . 2 ASN C . 51929 1 9 . 1 . 1 2 2 ASN CA C 13 54.058 0.400 . 1 . . . . . 2 ASN CA . 51929 1 10 . 1 . 1 2 2 ASN CB C 13 38.875 0.400 . 1 . . . . . 2 ASN CB . 51929 1 11 . 1 . 1 2 2 ASN N N 15 118.889 0.400 . 1 . . . . . 2 ASN N . 51929 1 12 . 1 . 1 3 3 GLU H H 1 8.990 0.020 . 1 . . . . . 3 GLU H . 51929 1 13 . 1 . 1 3 3 GLU HA H 1 4.195 0.020 . 1 . . . . . 3 GLU HA . 51929 1 14 . 1 . 1 3 3 GLU HB2 H 1 2.099 0.020 . 2 . . . . . 3 GLU HB2 . 51929 1 15 . 1 . 1 3 3 GLU HG2 H 1 2.390 0.020 . 2 . . . . . 3 GLU HG2 . 51929 1 16 . 1 . 1 3 3 GLU C C 13 177.215 0.400 . 1 . . . . . 3 GLU C . 51929 1 17 . 1 . 1 3 3 GLU CA C 13 58.928 0.400 . 1 . . . . . 3 GLU CA . 51929 1 18 . 1 . 1 3 3 GLU CB C 13 29.120 0.400 . 1 . . . . . 3 GLU CB . 51929 1 19 . 1 . 1 3 3 GLU CG C 13 35.173 0.400 . 1 . . . . . 3 GLU CG . 51929 1 20 . 1 . 1 3 3 GLU N N 15 121.720 0.400 . 1 . . . . . 3 GLU N . 51929 1 21 . 1 . 1 4 4 GLY H H 1 8.523 0.020 . 1 . . . . . 4 GLY H . 51929 1 22 . 1 . 1 4 4 GLY HA2 H 1 3.984 0.020 . 2 . . . . . 4 GLY HA2 . 51929 1 23 . 1 . 1 4 4 GLY C C 13 175.079 0.400 . 1 . . . . . 4 GLY C . 51929 1 24 . 1 . 1 4 4 GLY CA C 13 46.645 0.400 . 1 . . . . . 4 GLY CA . 51929 1 25 . 1 . 1 4 4 GLY N N 15 108.075 0.400 . 1 . . . . . 4 GLY N . 51929 1 26 . 1 . 1 5 5 ILE H H 1 7.735 0.020 . 1 . . . . . 5 ILE H . 51929 1 27 . 1 . 1 5 5 ILE HA H 1 3.981 0.020 . 1 . . . . . 5 ILE HA . 51929 1 28 . 1 . 1 5 5 ILE HG21 H 1 0.941 0.020 . 1 . . . . . 5 ILE HG21 . 51929 1 29 . 1 . 1 5 5 ILE HG22 H 1 0.941 0.020 . 1 . . . . . 5 ILE HG22 . 51929 1 30 . 1 . 1 5 5 ILE HG23 H 1 0.941 0.020 . 1 . . . . . 5 ILE HG23 . 51929 1 31 . 1 . 1 5 5 ILE C C 13 177.457 0.400 . 1 . . . . . 5 ILE C . 51929 1 32 . 1 . 1 5 5 ILE CA C 13 62.915 0.400 . 1 . . . . . 5 ILE CA . 51929 1 33 . 1 . 1 5 5 ILE CB C 13 38.131 0.400 . 1 . . . . . 5 ILE CB . 51929 1 34 . 1 . 1 5 5 ILE CG1 C 13 27.938 0.400 . 1 . . . . . 5 ILE CG1 . 51929 1 35 . 1 . 1 5 5 ILE CG2 C 13 17.683 0.400 . 1 . . . . . 5 ILE CG2 . 51929 1 36 . 1 . 1 5 5 ILE CD1 C 13 12.966 0.400 . 1 . . . . . 5 ILE CD1 . 51929 1 37 . 1 . 1 5 5 ILE N N 15 119.805 0.400 . 1 . . . . . 5 ILE N . 51929 1 38 . 1 . 1 6 6 MET H H 1 7.956 0.020 . 1 . . . . . 6 MET H . 51929 1 39 . 1 . 1 6 6 MET HA H 1 4.344 0.020 . 1 . . . . . 6 MET HA . 51929 1 40 . 1 . 1 6 6 MET HB2 H 1 2.665 0.020 . 2 . . . . . 6 MET HB2 . 51929 1 41 . 1 . 1 6 6 MET HG2 H 1 2.687 0.020 . 2 . . . . . 6 MET HG2 . 51929 1 42 . 1 . 1 6 6 MET HG3 H 1 2.572 0.020 . 2 . . . . . 6 MET HG3 . 51929 1 43 . 1 . 1 6 6 MET C C 13 177.126 0.400 . 1 . . . . . 6 MET C . 51929 1 44 . 1 . 1 6 6 MET CA C 13 57.394 0.400 . 1 . . . . . 6 MET CA . 51929 1 45 . 1 . 1 6 6 MET CB C 13 32.491 0.400 . 1 . . . . . 6 MET CB . 51929 1 46 . 1 . 1 6 6 MET N N 15 120.160 0.400 . 1 . . . . . 6 MET N . 51929 1 47 . 1 . 1 7 7 ALA H H 1 8.074 0.020 . 1 . . . . . 7 ALA H . 51929 1 48 . 1 . 1 7 7 ALA HA H 1 4.242 0.020 . 1 . . . . . 7 ALA HA . 51929 1 49 . 1 . 1 7 7 ALA HB1 H 1 1.549 0.020 . 1 . . . . . 7 ALA HB1 . 51929 1 50 . 1 . 1 7 7 ALA HB2 H 1 1.549 0.020 . 1 . . . . . 7 ALA HB2 . 51929 1 51 . 1 . 1 7 7 ALA HB3 H 1 1.549 0.020 . 1 . . . . . 7 ALA HB3 . 51929 1 52 . 1 . 1 7 7 ALA C C 13 178.452 0.400 . 1 . . . . . 7 ALA C . 51929 1 53 . 1 . 1 7 7 ALA CA C 13 54.532 0.400 . 1 . . . . . 7 ALA CA . 51929 1 54 . 1 . 1 7 7 ALA CB C 13 18.770 0.400 . 1 . . . . . 7 ALA CB . 51929 1 55 . 1 . 1 7 7 ALA N N 15 121.443 0.400 . 1 . . . . . 7 ALA N . 51929 1 56 . 1 . 1 8 8 VAL H H 1 7.828 0.020 . 1 . . . . . 8 VAL H . 51929 1 57 . 1 . 1 8 8 VAL HA H 1 3.857 0.020 . 1 . . . . . 8 VAL HA . 51929 1 58 . 1 . 1 8 8 VAL HB H 1 2.238 0.020 . 1 . . . . . 8 VAL HB . 51929 1 59 . 1 . 1 8 8 VAL HG11 H 1 1.028 0.020 . 2 . . . . . 8 VAL HG11 . 51929 1 60 . 1 . 1 8 8 VAL HG12 H 1 1.028 0.020 . 2 . . . . . 8 VAL HG12 . 51929 1 61 . 1 . 1 8 8 VAL HG13 H 1 1.028 0.020 . 2 . . . . . 8 VAL HG13 . 51929 1 62 . 1 . 1 8 8 VAL C C 13 178.125 0.400 . 1 . . . . . 8 VAL C . 51929 1 63 . 1 . 1 8 8 VAL CA C 13 65.305 0.400 . 1 . . . . . 8 VAL CA . 51929 1 64 . 1 . 1 8 8 VAL CB C 13 31.800 0.400 . 1 . . . . . 8 VAL CB . 51929 1 65 . 1 . 1 8 8 VAL CG1 C 13 21.070 0.400 . 2 . . . . . 8 VAL CG1 . 51929 1 66 . 1 . 1 8 8 VAL N N 15 116.485 0.400 . 1 . . . . . 8 VAL N . 51929 1 67 . 1 . 1 9 9 GLY H H 1 8.242 0.020 . 1 . . . . . 9 GLY H . 51929 1 68 . 1 . 1 9 9 GLY HA2 H 1 3.984 0.020 . 2 . . . . . 9 GLY HA2 . 51929 1 69 . 1 . 1 9 9 GLY C C 13 175.881 0.400 . 1 . . . . . 9 GLY C . 51929 1 70 . 1 . 1 9 9 GLY CA C 13 46.976 0.400 . 1 . . . . . 9 GLY CA . 51929 1 71 . 1 . 1 9 9 GLY N N 15 109.754 0.400 . 1 . . . . . 9 GLY N . 51929 1 72 . 1 . 1 10 10 LEU H H 1 8.125 0.020 . 1 . . . . . 10 LEU H . 51929 1 73 . 1 . 1 10 10 LEU HA H 1 4.177 0.020 . 1 . . . . . 10 LEU HA . 51929 1 74 . 1 . 1 10 10 LEU HB2 H 1 1.747 0.020 . 2 . . . . . 10 LEU HB2 . 51929 1 75 . 1 . 1 10 10 LEU HD11 H 1 0.932 0.020 . 2 . . . . . 10 LEU HD11 . 51929 1 76 . 1 . 1 10 10 LEU HD12 H 1 0.932 0.020 . 2 . . . . . 10 LEU HD12 . 51929 1 77 . 1 . 1 10 10 LEU HD13 H 1 0.932 0.020 . 2 . . . . . 10 LEU HD13 . 51929 1 78 . 1 . 1 10 10 LEU C C 13 177.205 0.400 . 1 . . . . . 10 LEU C . 51929 1 79 . 1 . 1 10 10 LEU CA C 13 58.040 0.400 . 1 . . . . . 10 LEU CA . 51929 1 80 . 1 . 1 10 10 LEU CB C 13 42.296 0.400 . 1 . . . . . 10 LEU CB . 51929 1 81 . 1 . 1 10 10 LEU CG C 13 26.794 0.400 . 1 . . . . . 10 LEU CG . 51929 1 82 . 1 . 1 10 10 LEU CD1 C 13 24.351 0.400 . 2 . . . . . 10 LEU CD1 . 51929 1 83 . 1 . 1 10 10 LEU N N 15 121.832 0.400 . 1 . . . . . 10 LEU N . 51929 1 84 . 1 . 1 11 11 VAL H H 1 8.009 0.020 . 1 . . . . . 11 VAL H . 51929 1 85 . 1 . 1 11 11 VAL HA H 1 3.639 0.020 . 1 . . . . . 11 VAL HA . 51929 1 86 . 1 . 1 11 11 VAL HB H 1 2.276 0.020 . 1 . . . . . 11 VAL HB . 51929 1 87 . 1 . 1 11 11 VAL HG11 H 1 1.019 0.020 . 2 . . . . . 11 VAL HG11 . 51929 1 88 . 1 . 1 11 11 VAL HG12 H 1 1.019 0.020 . 2 . . . . . 11 VAL HG12 . 51929 1 89 . 1 . 1 11 11 VAL HG13 H 1 1.019 0.020 . 2 . . . . . 11 VAL HG13 . 51929 1 90 . 1 . 1 11 11 VAL C C 13 178.080 0.400 . 1 . . . . . 11 VAL C . 51929 1 91 . 1 . 1 11 11 VAL CA C 13 67.025 0.400 . 1 . . . . . 11 VAL CA . 51929 1 92 . 1 . 1 11 11 VAL CB C 13 31.275 0.400 . 1 . . . . . 11 VAL CB . 51929 1 93 . 1 . 1 11 11 VAL CG1 C 13 22.061 0.400 . 2 . . . . . 11 VAL CG1 . 51929 1 94 . 1 . 1 11 11 VAL N N 15 117.543 0.400 . 1 . . . . . 11 VAL N . 51929 1 95 . 1 . 1 12 12 SER H H 1 8.017 0.020 . 1 . . . . . 12 SER H . 51929 1 96 . 1 . 1 12 12 SER HA H 1 4.269 0.020 . 1 . . . . . 12 SER HA . 51929 1 97 . 1 . 1 12 12 SER HB2 H 1 4.031 0.020 . 2 . . . . . 12 SER HB2 . 51929 1 98 . 1 . 1 12 12 SER C C 13 176.859 0.400 . 1 . . . . . 12 SER C . 51929 1 99 . 1 . 1 12 12 SER CA C 13 61.744 0.400 . 1 . . . . . 12 SER CA . 51929 1 100 . 1 . 1 12 12 SER CB C 13 62.823 0.400 . 1 . . . . . 12 SER CB . 51929 1 101 . 1 . 1 12 12 SER N N 15 114.944 0.400 . 1 . . . . . 12 SER N . 51929 1 102 . 1 . 1 13 13 LEU H H 1 7.869 0.020 . 1 . . . . . 13 LEU H . 51929 1 103 . 1 . 1 13 13 LEU HA H 1 4.212 0.020 . 1 . . . . . 13 LEU HA . 51929 1 104 . 1 . 1 13 13 LEU HB2 H 1 1.865 0.020 . 2 . . . . . 13 LEU HB2 . 51929 1 105 . 1 . 1 13 13 LEU HG H 1 1.767 0.020 . 1 . . . . . 13 LEU HG . 51929 1 106 . 1 . 1 13 13 LEU HD11 H 1 0.935 0.020 . 2 . . . . . 13 LEU HD11 . 51929 1 107 . 1 . 1 13 13 LEU HD12 H 1 0.935 0.020 . 2 . . . . . 13 LEU HD12 . 51929 1 108 . 1 . 1 13 13 LEU HD13 H 1 0.935 0.020 . 2 . . . . . 13 LEU HD13 . 51929 1 109 . 1 . 1 13 13 LEU C C 13 179.153 0.400 . 1 . . . . . 13 LEU C . 51929 1 110 . 1 . 1 13 13 LEU CA C 13 58.108 0.400 . 1 . . . . . 13 LEU CA . 51929 1 111 . 1 . 1 13 13 LEU CB C 13 42.517 0.400 . 1 . . . . . 13 LEU CB . 51929 1 112 . 1 . 1 13 13 LEU CG C 13 26.537 0.400 . 1 . . . . . 13 LEU CG . 51929 1 113 . 1 . 1 13 13 LEU CD1 C 13 24.384 0.400 . 2 . . . . . 13 LEU CD1 . 51929 1 114 . 1 . 1 13 13 LEU N N 15 122.934 0.400 . 1 . . . . . 13 LEU N . 51929 1 115 . 1 . 1 14 14 LEU H H 1 8.181 0.020 . 1 . . . . . 14 LEU H . 51929 1 116 . 1 . 1 14 14 LEU HA H 1 4.150 0.020 . 1 . . . . . 14 LEU HA . 51929 1 117 . 1 . 1 14 14 LEU HB2 H 1 1.495 0.020 . 2 . . . . . 14 LEU HB2 . 51929 1 118 . 1 . 1 14 14 LEU HG H 1 0.890 0.020 . 1 . . . . . 14 LEU HG . 51929 1 119 . 1 . 1 14 14 LEU C C 13 178.490 0.400 . 1 . . . . . 14 LEU C . 51929 1 120 . 1 . 1 14 14 LEU CA C 13 57.812 0.400 . 1 . . . . . 14 LEU CA . 51929 1 121 . 1 . 1 14 14 LEU CB C 13 41.875 0.400 . 1 . . . . . 14 LEU CB . 51929 1 122 . 1 . 1 14 14 LEU CG C 13 24.077 0.400 . 1 . . . . . 14 LEU CG . 51929 1 123 . 1 . 1 14 14 LEU N N 15 118.897 0.400 . 1 . . . . . 14 LEU N . 51929 1 124 . 1 . 1 15 15 GLY H H 1 8.500 0.020 . 1 . . . . . 15 GLY H . 51929 1 125 . 1 . 1 15 15 GLY HA2 H 1 3.884 0.020 . 2 . . . . . 15 GLY HA2 . 51929 1 126 . 1 . 1 15 15 GLY C C 13 175.290 0.400 . 1 . . . . . 15 GLY C . 51929 1 127 . 1 . 1 15 15 GLY CA C 13 47.428 0.400 . 1 . . . . . 15 GLY CA . 51929 1 128 . 1 . 1 15 15 GLY N N 15 105.285 0.400 . 1 . . . . . 15 GLY N . 51929 1 129 . 1 . 1 16 16 SER H H 1 8.008 0.020 . 1 . . . . . 16 SER H . 51929 1 130 . 1 . 1 16 16 SER HA H 1 4.266 0.020 . 1 . . . . . 16 SER HA . 51929 1 131 . 1 . 1 16 16 SER HB2 H 1 4.049 0.020 . 2 . . . . . 16 SER HB2 . 51929 1 132 . 1 . 1 16 16 SER C C 13 176.022 0.400 . 1 . . . . . 16 SER C . 51929 1 133 . 1 . 1 16 16 SER CA C 13 61.450 0.400 . 1 . . . . . 16 SER CA . 51929 1 134 . 1 . 1 16 16 SER CB C 13 63.140 0.400 . 1 . . . . . 16 SER CB . 51929 1 135 . 1 . 1 16 16 SER N N 15 115.372 0.400 . 1 . . . . . 16 SER N . 51929 1 136 . 1 . 1 17 17 ALA H H 1 7.919 0.020 . 1 . . . . . 17 ALA H . 51929 1 137 . 1 . 1 17 17 ALA HA H 1 4.208 0.020 . 1 . . . . . 17 ALA HA . 51929 1 138 . 1 . 1 17 17 ALA HB1 H 1 1.540 0.020 . 1 . . . . . 17 ALA HB1 . 51929 1 139 . 1 . 1 17 17 ALA HB2 H 1 1.540 0.020 . 1 . . . . . 17 ALA HB2 . 51929 1 140 . 1 . 1 17 17 ALA HB3 H 1 1.540 0.020 . 1 . . . . . 17 ALA HB3 . 51929 1 141 . 1 . 1 17 17 ALA C C 13 179.334 0.400 . 1 . . . . . 17 ALA C . 51929 1 142 . 1 . 1 17 17 ALA CA C 13 54.663 0.400 . 1 . . . . . 17 ALA CA . 51929 1 143 . 1 . 1 17 17 ALA CB C 13 18.564 0.400 . 1 . . . . . 17 ALA CB . 51929 1 144 . 1 . 1 17 17 ALA N N 15 123.268 0.400 . 1 . . . . . 17 ALA N . 51929 1 145 . 1 . 1 18 18 LEU H H 1 7.962 0.020 . 1 . . . . . 18 LEU H . 51929 1 146 . 1 . 1 18 18 LEU HA H 1 4.171 0.020 . 1 . . . . . 18 LEU HA . 51929 1 147 . 1 . 1 18 18 LEU HB2 H 1 1.867 0.020 . 2 . . . . . 18 LEU HB2 . 51929 1 148 . 1 . 1 18 18 LEU HD11 H 1 0.887 0.020 . 2 . . . . . 18 LEU HD11 . 51929 1 149 . 1 . 1 18 18 LEU HD12 H 1 0.887 0.020 . 2 . . . . . 18 LEU HD12 . 51929 1 150 . 1 . 1 18 18 LEU HD13 H 1 0.887 0.020 . 2 . . . . . 18 LEU HD13 . 51929 1 151 . 1 . 1 18 18 LEU C C 13 178.053 0.400 . 1 . . . . . 18 LEU C . 51929 1 152 . 1 . 1 18 18 LEU CA C 13 57.197 0.400 . 1 . . . . . 18 LEU CA . 51929 1 153 . 1 . 1 18 18 LEU CB C 13 42.377 0.400 . 1 . . . . . 18 LEU CB . 51929 1 154 . 1 . 1 18 18 LEU CD1 C 13 23.726 0.400 . 2 . . . . . 18 LEU CD1 . 51929 1 155 . 1 . 1 18 18 LEU CD2 C 13 25.114 0.400 . 2 . . . . . 18 LEU CD2 . 51929 1 156 . 1 . 1 18 18 LEU N N 15 116.538 0.400 . 1 . . . . . 18 LEU N . 51929 1 157 . 1 . 1 19 19 LEU H H 1 7.712 0.020 . 1 . . . . . 19 LEU H . 51929 1 158 . 1 . 1 19 19 LEU HA H 1 4.322 0.020 . 1 . . . . . 19 LEU HA . 51929 1 159 . 1 . 1 19 19 LEU HB2 H 1 1.822 0.020 . 2 . . . . . 19 LEU HB2 . 51929 1 160 . 1 . 1 19 19 LEU HD11 H 1 0.895 0.020 . 2 . . . . . 19 LEU HD11 . 51929 1 161 . 1 . 1 19 19 LEU HD12 H 1 0.895 0.020 . 2 . . . . . 19 LEU HD12 . 51929 1 162 . 1 . 1 19 19 LEU HD13 H 1 0.895 0.020 . 2 . . . . . 19 LEU HD13 . 51929 1 163 . 1 . 1 19 19 LEU C C 13 178.224 0.400 . 1 . . . . . 19 LEU C . 51929 1 164 . 1 . 1 19 19 LEU CA C 13 56.225 0.400 . 1 . . . . . 19 LEU CA . 51929 1 165 . 1 . 1 19 19 LEU CB C 13 41.969 0.400 . 1 . . . . . 19 LEU CB . 51929 1 166 . 1 . 1 19 19 LEU CG C 13 24.855 0.400 . 1 . . . . . 19 LEU CG . 51929 1 167 . 1 . 1 19 19 LEU CD1 C 13 22.931 0.400 . 2 . . . . . 19 LEU CD1 . 51929 1 168 . 1 . 1 19 19 LEU N N 15 116.887 0.400 . 1 . . . . . 19 LEU N . 51929 1 169 . 1 . 1 20 20 LYS H H 1 7.725 0.020 . 1 . . . . . 20 LYS H . 51929 1 170 . 1 . 1 20 20 LYS HA H 1 4.213 0.020 . 1 . . . . . 20 LYS HA . 51929 1 171 . 1 . 1 20 20 LYS HB2 H 1 1.882 0.020 . 2 . . . . . 20 LYS HB2 . 51929 1 172 . 1 . 1 20 20 LYS C C 13 176.528 0.400 . 1 . . . . . 20 LYS C . 51929 1 173 . 1 . 1 20 20 LYS CA C 13 57.108 0.400 . 1 . . . . . 20 LYS CA . 51929 1 174 . 1 . 1 20 20 LYS CB C 13 32.691 0.400 . 1 . . . . . 20 LYS CB . 51929 1 175 . 1 . 1 20 20 LYS CG C 13 24.601 0.400 . 1 . . . . . 20 LYS CG . 51929 1 176 . 1 . 1 20 20 LYS CD C 13 28.905 0.400 . 1 . . . . . 20 LYS CD . 51929 1 177 . 1 . 1 20 20 LYS CE C 13 41.830 0.400 . 1 . . . . . 20 LYS CE . 51929 1 178 . 1 . 1 21 21 ASN H H 1 7.786 0.020 . 1 . . . . . 21 ASN H . 51929 1 179 . 1 . 1 21 21 ASN HA H 1 4.700 0.020 . 1 . . . . . 21 ASN HA . 51929 1 180 . 1 . 1 21 21 ASN HB2 H 1 2.828 0.020 . 2 . . . . . 21 ASN HB2 . 51929 1 181 . 1 . 1 21 21 ASN C C 13 174.275 0.400 . 1 . . . . . 21 ASN C . 51929 1 182 . 1 . 1 21 21 ASN CA C 13 53.678 0.400 . 1 . . . . . 21 ASN CA . 51929 1 183 . 1 . 1 21 21 ASN CB C 13 39.815 0.400 . 1 . . . . . 21 ASN CB . 51929 1 184 . 1 . 1 21 21 ASN N N 15 116.409 0.400 . 1 . . . . . 21 ASN N . 51929 1 185 . 1 . 1 22 22 ASP H H 1 8.229 0.020 . 1 . . . . . 22 ASP H . 51929 1 186 . 1 . 1 22 22 ASP HA H 1 4.655 0.020 . 1 . . . . . 22 ASP HA . 51929 1 187 . 1 . 1 22 22 ASP HB2 H 1 2.739 0.020 . 2 . . . . . 22 ASP HB2 . 51929 1 188 . 1 . 1 22 22 ASP C C 13 175.345 0.400 . 1 . . . . . 22 ASP C . 51929 1 189 . 1 . 1 22 22 ASP CA C 13 54.378 0.400 . 1 . . . . . 22 ASP CA . 51929 1 190 . 1 . 1 22 22 ASP CB C 13 40.119 0.400 . 1 . . . . . 22 ASP CB . 51929 1 191 . 1 . 1 22 22 ASP N N 15 118.512 0.400 . 1 . . . . . 22 ASP N . 51929 1 192 . 1 . 1 23 23 VAL H H 1 7.837 0.020 . 1 . . . . . 23 VAL H . 51929 1 193 . 1 . 1 23 23 VAL CA C 13 60.449 0.400 . 1 . . . . . 23 VAL CA . 51929 1 194 . 1 . 1 23 23 VAL CB C 13 32.669 0.400 . 1 . . . . . 23 VAL CB . 51929 1 195 . 1 . 1 23 23 VAL N N 15 120.092 0.400 . 1 . . . . . 23 VAL N . 51929 1 196 . 1 . 1 24 24 PRO HA H 1 4.483 0.020 . 1 . . . . . 24 PRO HA . 51929 1 197 . 1 . 1 24 24 PRO HB2 H 1 1.980 0.020 . 2 . . . . . 24 PRO HB2 . 51929 1 198 . 1 . 1 24 24 PRO CA C 13 63.761 0.400 . 1 . . . . . 24 PRO CA . 51929 1 199 . 1 . 1 25 25 LEU H H 1 7.988 0.020 . 1 . . . . . 25 LEU H . 51929 1 200 . 1 . 1 25 25 LEU HA H 1 4.255 0.020 . 1 . . . . . 25 LEU HA . 51929 1 201 . 1 . 1 25 25 LEU HB2 H 1 1.682 0.020 . 2 . . . . . 25 LEU HB2 . 51929 1 202 . 1 . 1 25 25 LEU HD11 H 1 0.887 0.020 . 2 . . . . . 25 LEU HD11 . 51929 1 203 . 1 . 1 25 25 LEU HD12 H 1 0.887 0.020 . 2 . . . . . 25 LEU HD12 . 51929 1 204 . 1 . 1 25 25 LEU HD13 H 1 0.887 0.020 . 2 . . . . . 25 LEU HD13 . 51929 1 205 . 1 . 1 25 25 LEU C C 13 176.629 0.400 . 1 . . . . . 25 LEU C . 51929 1 206 . 1 . 1 25 25 LEU CA C 13 55.684 0.400 . 1 . . . . . 25 LEU CA . 51929 1 207 . 1 . 1 25 25 LEU CB C 13 42.405 0.400 . 1 . . . . . 25 LEU CB . 51929 1 208 . 1 . 1 25 25 LEU CG C 13 26.860 0.400 . 1 . . . . . 25 LEU CG . 51929 1 209 . 1 . 1 25 25 LEU CD1 C 13 24.679 0.400 . 2 . . . . . 25 LEU CD1 . 51929 1 210 . 1 . 1 25 25 LEU CD2 C 13 23.471 0.400 . 2 . . . . . 25 LEU CD2 . 51929 1 211 . 1 . 1 25 25 LEU N N 15 117.488 0.400 . 1 . . . . . 25 LEU N . 51929 1 212 . 1 . 1 26 26 ALA H H 1 7.986 0.020 . 1 . . . . . 26 ALA H . 51929 1 213 . 1 . 1 26 26 ALA CA C 13 54.558 0.400 . 1 . . . . . 26 ALA CA . 51929 1 214 . 1 . 1 26 26 ALA CB C 13 19.413 0.400 . 1 . . . . . 26 ALA CB . 51929 1 215 . 1 . 1 26 26 ALA N N 15 121.350 0.400 . 1 . . . . . 26 ALA N . 51929 1 216 . 1 . 1 27 27 GLY H H 1 8.490 0.020 . 1 . . . . . 27 GLY H . 51929 1 217 . 1 . 1 27 27 GLY CA C 13 47.724 0.400 . 1 . . . . . 27 GLY CA . 51929 1 218 . 1 . 1 27 27 GLY N N 15 104.920 0.400 . 1 . . . . . 27 GLY N . 51929 1 219 . 1 . 1 28 28 PRO HA H 1 4.384 0.020 . 1 . . . . . 28 PRO HA . 51929 1 220 . 1 . 1 28 28 PRO HB2 H 1 1.842 0.020 . 2 . . . . . 28 PRO HB2 . 51929 1 221 . 1 . 1 28 28 PRO HG2 H 1 2.097 0.020 . 2 . . . . . 28 PRO HG2 . 51929 1 222 . 1 . 1 28 28 PRO C C 13 178.575 0.400 . 1 . . . . . 28 PRO C . 51929 1 223 . 1 . 1 28 28 PRO CA C 13 65.136 0.400 . 1 . . . . . 28 PRO CA . 51929 1 224 . 1 . 1 28 28 PRO CB C 13 31.959 0.400 . 1 . . . . . 28 PRO CB . 51929 1 225 . 1 . 1 28 28 PRO CG C 13 27.472 0.400 . 1 . . . . . 28 PRO CG . 51929 1 226 . 1 . 1 29 29 MET H H 1 7.843 0.020 . 1 . . . . . 29 MET H . 51929 1 227 . 1 . 1 29 29 MET C C 13 177.813 0.400 . 1 . . . . . 29 MET C . 51929 1 228 . 1 . 1 29 29 MET CA C 13 59.247 0.400 . 1 . . . . . 29 MET CA . 51929 1 229 . 1 . 1 29 29 MET CB C 13 32.725 0.400 . 1 . . . . . 29 MET CB . 51929 1 230 . 1 . 1 29 29 MET N N 15 115.656 0.400 . 1 . . . . . 29 MET N . 51929 1 231 . 1 . 1 30 30 VAL H H 1 8.036 0.020 . 1 . . . . . 30 VAL H . 51929 1 232 . 1 . 1 30 30 VAL HA H 1 3.671 0.020 . 1 . . . . . 30 VAL HA . 51929 1 233 . 1 . 1 30 30 VAL HB H 1 2.221 0.020 . 1 . . . . . 30 VAL HB . 51929 1 234 . 1 . 1 30 30 VAL HG21 H 1 1.115 0.020 . 2 . . . . . 30 VAL HG21 . 51929 1 235 . 1 . 1 30 30 VAL HG22 H 1 1.115 0.020 . 2 . . . . . 30 VAL HG22 . 51929 1 236 . 1 . 1 30 30 VAL HG23 H 1 1.115 0.020 . 2 . . . . . 30 VAL HG23 . 51929 1 237 . 1 . 1 30 30 VAL C C 13 177.435 0.400 . 1 . . . . . 30 VAL C . 51929 1 238 . 1 . 1 30 30 VAL CA C 13 66.816 0.400 . 1 . . . . . 30 VAL CA . 51929 1 239 . 1 . 1 30 30 VAL CB C 13 31.723 0.400 . 1 . . . . . 30 VAL CB . 51929 1 240 . 1 . 1 30 30 VAL CG2 C 13 23.216 0.400 . 2 . . . . . 30 VAL CG2 . 51929 1 241 . 1 . 1 30 30 VAL N N 15 119.212 0.400 . 1 . . . . . 30 VAL N . 51929 1 242 . 1 . 1 31 31 ALA H H 1 8.086 0.020 . 1 . . . . . 31 ALA H . 51929 1 243 . 1 . 1 31 31 ALA CA C 13 55.223 0.400 . 1 . . . . . 31 ALA CA . 51929 1 244 . 1 . 1 31 31 ALA CB C 13 18.331 0.400 . 1 . . . . . 31 ALA CB . 51929 1 245 . 1 . 1 31 31 ALA N N 15 120.389 0.400 . 1 . . . . . 31 ALA N . 51929 1 246 . 1 . 1 32 32 GLY H H 1 8.480 0.020 . 1 . . . . . 32 GLY H . 51929 1 247 . 1 . 1 32 32 GLY HA2 H 1 3.827 0.020 . 2 . . . . . 32 GLY HA2 . 51929 1 248 . 1 . 1 32 32 GLY C C 13 175.355 0.400 . 1 . . . . . 32 GLY C . 51929 1 249 . 1 . 1 32 32 GLY CA C 13 47.520 0.400 . 1 . . . . . 32 GLY CA . 51929 1 250 . 1 . 1 32 32 GLY N N 15 105.103 0.400 . 1 . . . . . 32 GLY N . 51929 1 251 . 1 . 1 33 33 GLY H H 1 8.545 0.020 . 1 . . . . . 33 GLY H . 51929 1 252 . 1 . 1 33 33 GLY HA2 H 1 3.770 0.020 . 2 . . . . . 33 GLY HA2 . 51929 1 253 . 1 . 1 33 33 GLY C C 13 175.031 0.400 . 1 . . . . . 33 GLY C . 51929 1 254 . 1 . 1 33 33 GLY CA C 13 47.681 0.400 . 1 . . . . . 33 GLY CA . 51929 1 255 . 1 . 1 33 33 GLY N N 15 110.106 0.400 . 1 . . . . . 33 GLY N . 51929 1 256 . 1 . 1 34 34 LEU H H 1 8.341 0.020 . 1 . . . . . 34 LEU H . 51929 1 257 . 1 . 1 34 34 LEU HA H 1 4.151 0.020 . 1 . . . . . 34 LEU HA . 51929 1 258 . 1 . 1 34 34 LEU HB2 H 1 1.956 0.020 . 2 . . . . . 34 LEU HB2 . 51929 1 259 . 1 . 1 34 34 LEU HD11 H 1 0.851 0.020 . 2 . . . . . 34 LEU HD11 . 51929 1 260 . 1 . 1 34 34 LEU HD12 H 1 0.851 0.020 . 2 . . . . . 34 LEU HD12 . 51929 1 261 . 1 . 1 34 34 LEU HD13 H 1 0.851 0.020 . 2 . . . . . 34 LEU HD13 . 51929 1 262 . 1 . 1 34 34 LEU C C 13 180.017 0.400 . 1 . . . . . 34 LEU C . 51929 1 263 . 1 . 1 34 34 LEU CA C 13 58.136 0.400 . 1 . . . . . 34 LEU CA . 51929 1 264 . 1 . 1 34 34 LEU CB C 13 41.626 0.400 . 1 . . . . . 34 LEU CB . 51929 1 265 . 1 . 1 34 34 LEU CD1 C 13 22.815 0.400 . 2 . . . . . 34 LEU CD1 . 51929 1 266 . 1 . 1 34 34 LEU N N 15 120.997 0.400 . 1 . . . . . 34 LEU N . 51929 1 267 . 1 . 1 35 35 LEU H H 1 7.792 0.020 . 1 . . . . . 35 LEU H . 51929 1 268 . 1 . 1 35 35 LEU HA H 1 4.186 0.020 . 1 . . . . . 35 LEU HA . 51929 1 269 . 1 . 1 35 35 LEU HB2 H 1 1.973 0.020 . 2 . . . . . 35 LEU HB2 . 51929 1 270 . 1 . 1 35 35 LEU HB3 H 1 1.699 0.020 . 2 . . . . . 35 LEU HB3 . 51929 1 271 . 1 . 1 35 35 LEU HG H 1 1.837 0.020 . 1 . . . . . 35 LEU HG . 51929 1 272 . 1 . 1 35 35 LEU HD11 H 1 0.961 0.020 . 2 . . . . . 35 LEU HD11 . 51929 1 273 . 1 . 1 35 35 LEU HD12 H 1 0.961 0.020 . 2 . . . . . 35 LEU HD12 . 51929 1 274 . 1 . 1 35 35 LEU HD13 H 1 0.961 0.020 . 2 . . . . . 35 LEU HD13 . 51929 1 275 . 1 . 1 35 35 LEU C C 13 179.401 0.400 . 1 . . . . . 35 LEU C . 51929 1 276 . 1 . 1 35 35 LEU CA C 13 58.104 0.400 . 1 . . . . . 35 LEU CA . 51929 1 277 . 1 . 1 35 35 LEU CB C 13 41.910 0.400 . 1 . . . . . 35 LEU CB . 51929 1 278 . 1 . 1 35 35 LEU CG C 13 26.678 0.400 . 1 . . . . . 35 LEU CG . 51929 1 279 . 1 . 1 35 35 LEU CD1 C 13 23.986 0.400 . 2 . . . . . 35 LEU CD1 . 51929 1 280 . 1 . 1 35 35 LEU N N 15 121.235 0.400 . 1 . . . . . 35 LEU N . 51929 1 281 . 1 . 1 36 36 LEU H H 1 8.162 0.020 . 1 . . . . . 36 LEU H . 51929 1 282 . 1 . 1 36 36 LEU HA H 1 4.174 0.020 . 1 . . . . . 36 LEU HA . 51929 1 283 . 1 . 1 36 36 LEU HB2 H 1 1.859 0.020 . 2 . . . . . 36 LEU HB2 . 51929 1 284 . 1 . 1 36 36 LEU HD11 H 1 0.963 0.020 . 2 . . . . . 36 LEU HD11 . 51929 1 285 . 1 . 1 36 36 LEU HD12 H 1 0.963 0.020 . 2 . . . . . 36 LEU HD12 . 51929 1 286 . 1 . 1 36 36 LEU HD13 H 1 0.963 0.020 . 2 . . . . . 36 LEU HD13 . 51929 1 287 . 1 . 1 36 36 LEU C C 13 178.581 0.400 . 1 . . . . . 36 LEU C . 51929 1 288 . 1 . 1 36 36 LEU CA C 13 57.995 0.400 . 1 . . . . . 36 LEU CA . 51929 1 289 . 1 . 1 36 36 LEU CB C 13 41.989 0.400 . 1 . . . . . 36 LEU CB . 51929 1 290 . 1 . 1 36 36 LEU CD1 C 13 24.396 0.400 . 2 . . . . . 36 LEU CD1 . 51929 1 291 . 1 . 1 36 36 LEU N N 15 120.013 0.400 . 1 . . . . . 36 LEU N . 51929 1 292 . 1 . 1 37 37 ALA H H 1 8.434 0.020 . 1 . . . . . 37 ALA H . 51929 1 293 . 1 . 1 37 37 ALA HA H 1 4.002 0.020 . 1 . . . . . 37 ALA HA . 51929 1 294 . 1 . 1 37 37 ALA HB1 H 1 1.550 0.020 . 1 . . . . . 37 ALA HB1 . 51929 1 295 . 1 . 1 37 37 ALA HB2 H 1 1.550 0.020 . 1 . . . . . 37 ALA HB2 . 51929 1 296 . 1 . 1 37 37 ALA HB3 H 1 1.550 0.020 . 1 . . . . . 37 ALA HB3 . 51929 1 297 . 1 . 1 37 37 ALA C C 13 178.832 0.400 . 1 . . . . . 37 ALA C . 51929 1 298 . 1 . 1 37 37 ALA CA C 13 55.504 0.400 . 1 . . . . . 37 ALA CA . 51929 1 299 . 1 . 1 37 37 ALA CB C 13 18.184 0.400 . 1 . . . . . 37 ALA CB . 51929 1 300 . 1 . 1 37 37 ALA N N 15 120.237 0.400 . 1 . . . . . 37 ALA N . 51929 1 301 . 1 . 1 38 38 ALA H H 1 7.906 0.020 . 1 . . . . . 38 ALA H . 51929 1 302 . 1 . 1 38 38 ALA HA H 1 4.144 0.020 . 1 . . . . . 38 ALA HA . 51929 1 303 . 1 . 1 38 38 ALA HB1 H 1 1.548 0.020 . 1 . . . . . 38 ALA HB1 . 51929 1 304 . 1 . 1 38 38 ALA HB2 H 1 1.548 0.020 . 1 . . . . . 38 ALA HB2 . 51929 1 305 . 1 . 1 38 38 ALA HB3 H 1 1.548 0.020 . 1 . . . . . 38 ALA HB3 . 51929 1 306 . 1 . 1 38 38 ALA C C 13 178.635 0.400 . 1 . . . . . 38 ALA C . 51929 1 307 . 1 . 1 38 38 ALA CA C 13 54.983 0.400 . 1 . . . . . 38 ALA CA . 51929 1 308 . 1 . 1 38 38 ALA CB C 13 18.130 0.400 . 1 . . . . . 38 ALA CB . 51929 1 309 . 1 . 1 38 38 ALA N N 15 118.718 0.400 . 1 . . . . . 38 ALA N . 51929 1 310 . 1 . 1 39 39 TYR H H 1 8.063 0.020 . 1 . . . . . 39 TYR H . 51929 1 311 . 1 . 1 39 39 TYR HA H 1 4.264 0.020 . 1 . . . . . 39 TYR HA . 51929 1 312 . 1 . 1 39 39 TYR HB2 H 1 3.262 0.020 . 2 . . . . . 39 TYR HB2 . 51929 1 313 . 1 . 1 39 39 TYR C C 13 178.116 0.400 . 1 . . . . . 39 TYR C . 51929 1 314 . 1 . 1 39 39 TYR CA C 13 61.297 0.400 . 1 . . . . . 39 TYR CA . 51929 1 315 . 1 . 1 39 39 TYR CB C 13 38.560 0.400 . 1 . . . . . 39 TYR CB . 51929 1 316 . 1 . 1 39 39 TYR N N 15 119.062 0.400 . 1 . . . . . 39 TYR N . 51929 1 317 . 1 . 1 40 40 VAL H H 1 8.341 0.020 . 1 . . . . . 40 VAL H . 51929 1 318 . 1 . 1 40 40 VAL HA H 1 3.749 0.020 . 1 . . . . . 40 VAL HA . 51929 1 319 . 1 . 1 40 40 VAL HB H 1 2.266 0.020 . 1 . . . . . 40 VAL HB . 51929 1 320 . 1 . 1 40 40 VAL HG21 H 1 0.949 0.020 . 2 . . . . . 40 VAL HG21 . 51929 1 321 . 1 . 1 40 40 VAL HG22 H 1 0.949 0.020 . 2 . . . . . 40 VAL HG22 . 51929 1 322 . 1 . 1 40 40 VAL HG23 H 1 0.949 0.020 . 2 . . . . . 40 VAL HG23 . 51929 1 323 . 1 . 1 40 40 VAL C C 13 177.856 0.400 . 1 . . . . . 40 VAL C . 51929 1 324 . 1 . 1 40 40 VAL CA C 13 65.645 0.400 . 1 . . . . . 40 VAL CA . 51929 1 325 . 1 . 1 40 40 VAL CB C 13 31.795 0.400 . 1 . . . . . 40 VAL CB . 51929 1 326 . 1 . 1 40 40 VAL CG2 C 13 21.759 0.400 . 2 . . . . . 40 VAL CG2 . 51929 1 327 . 1 . 1 40 40 VAL N N 15 118.066 0.400 . 1 . . . . . 40 VAL N . 51929 1 328 . 1 . 1 41 41 MET H H 1 8.157 0.020 . 1 . . . . . 41 MET H . 51929 1 329 . 1 . 1 41 41 MET HA H 1 4.400 0.020 . 1 . . . . . 41 MET HA . 51929 1 330 . 1 . 1 41 41 MET HB2 H 1 2.622 0.020 . 2 . . . . . 41 MET HB2 . 51929 1 331 . 1 . 1 41 41 MET HB3 H 1 2.133 0.020 . 2 . . . . . 41 MET HB3 . 51929 1 332 . 1 . 1 41 41 MET HG2 H 1 2.656 0.020 . 2 . . . . . 41 MET HG2 . 51929 1 333 . 1 . 1 41 41 MET C C 13 177.495 0.400 . 1 . . . . . 41 MET C . 51929 1 334 . 1 . 1 41 41 MET CA C 13 56.958 0.400 . 1 . . . . . 41 MET CA . 51929 1 335 . 1 . 1 41 41 MET CB C 13 31.977 0.400 . 1 . . . . . 41 MET CB . 51929 1 336 . 1 . 1 41 41 MET N N 15 116.651 0.400 . 1 . . . . . 41 MET N . 51929 1 337 . 1 . 1 42 42 SER H H 1 7.752 0.020 . 1 . . . . . 42 SER H . 51929 1 338 . 1 . 1 42 42 SER HA H 1 4.397 0.020 . 1 . . . . . 42 SER HA . 51929 1 339 . 1 . 1 42 42 SER HB2 H 1 4.044 0.020 . 2 . . . . . 42 SER HB2 . 51929 1 340 . 1 . 1 42 42 SER C C 13 175.500 0.400 . 1 . . . . . 42 SER C . 51929 1 341 . 1 . 1 42 42 SER CA C 13 59.930 0.400 . 1 . . . . . 42 SER CA . 51929 1 342 . 1 . 1 42 42 SER CB C 13 64.001 0.400 . 1 . . . . . 42 SER CB . 51929 1 343 . 1 . 1 42 42 SER N N 15 114.146 0.400 . 1 . . . . . 42 SER N . 51929 1 344 . 1 . 1 43 43 GLY H H 1 7.905 0.020 . 1 . . . . . 43 GLY H . 51929 1 345 . 1 . 1 43 43 GLY C C 13 174.382 0.400 . 1 . . . . . 43 GLY C . 51929 1 346 . 1 . 1 43 43 GLY CA C 13 45.789 0.400 . 1 . . . . . 43 GLY CA . 51929 1 347 . 1 . 1 43 43 GLY N N 15 109.850 0.400 . 1 . . . . . 43 GLY N . 51929 1 348 . 1 . 1 44 44 SER H H 1 7.961 0.020 . 1 . . . . . 44 SER H . 51929 1 349 . 1 . 1 44 44 SER HA H 1 4.492 0.020 . 1 . . . . . 44 SER HA . 51929 1 350 . 1 . 1 44 44 SER HB2 H 1 3.957 0.020 . 2 . . . . . 44 SER HB2 . 51929 1 351 . 1 . 1 44 44 SER C C 13 174.937 0.400 . 1 . . . . . 44 SER C . 51929 1 352 . 1 . 1 44 44 SER CA C 13 58.605 0.400 . 1 . . . . . 44 SER CA . 51929 1 353 . 1 . 1 44 44 SER CB C 13 64.343 0.400 . 1 . . . . . 44 SER CB . 51929 1 354 . 1 . 1 44 44 SER N N 15 115.107 0.400 . 1 . . . . . 44 SER N . 51929 1 355 . 1 . 1 45 45 SER H H 1 8.391 0.020 . 1 . . . . . 45 SER H . 51929 1 356 . 1 . 1 45 45 SER HA H 1 4.484 0.020 . 1 . . . . . 45 SER HA . 51929 1 357 . 1 . 1 45 45 SER HB2 H 1 3.968 0.020 . 2 . . . . . 45 SER HB2 . 51929 1 358 . 1 . 1 45 45 SER C C 13 175.225 0.400 . 1 . . . . . 45 SER C . 51929 1 359 . 1 . 1 45 45 SER CA C 13 59.202 0.400 . 1 . . . . . 45 SER CA . 51929 1 360 . 1 . 1 45 45 SER CB C 13 64.005 0.400 . 1 . . . . . 45 SER CB . 51929 1 361 . 1 . 1 45 45 SER N N 15 117.762 0.400 . 1 . . . . . 45 SER N . 51929 1 362 . 1 . 1 46 46 GLU H H 1 8.465 0.020 . 1 . . . . . 87 GLU H . 51929 1 363 . 1 . 1 46 46 GLU HA H 1 4.311 0.020 . 1 . . . . . 87 GLU HA . 51929 1 364 . 1 . 1 46 46 GLU HB2 H 1 2.092 0.020 . 2 . . . . . 87 GLU HB2 . 51929 1 365 . 1 . 1 46 46 GLU C C 13 177.336 0.400 . 1 . . . . . 87 GLU C . 51929 1 366 . 1 . 1 46 46 GLU CA C 13 59.170 0.400 . 1 . . . . . 87 GLU CA . 51929 1 367 . 1 . 1 46 46 GLU CB C 13 29.642 0.400 . 1 . . . . . 87 GLU CB . 51929 1 368 . 1 . 1 46 46 GLU N N 15 121.428 0.400 . 1 . . . . . 87 GLU N . 51929 1 369 . 1 . 1 47 47 GLU H H 1 8.229 0.020 . 1 . . . . . 88 GLU H . 51929 1 370 . 1 . 1 47 47 GLU HA H 1 4.294 0.020 . 1 . . . . . 88 GLU HA . 51929 1 371 . 1 . 1 47 47 GLU HB2 H 1 2.113 0.020 . 2 . . . . . 88 GLU HB2 . 51929 1 372 . 1 . 1 47 47 GLU C C 13 176.945 0.400 . 1 . . . . . 88 GLU C . 51929 1 373 . 1 . 1 47 47 GLU CA C 13 57.699 0.400 . 1 . . . . . 88 GLU CA . 51929 1 374 . 1 . 1 47 47 GLU CB C 13 29.461 0.400 . 1 . . . . . 88 GLU CB . 51929 1 375 . 1 . 1 47 47 GLU N N 15 119.355 0.400 . 1 . . . . . 88 GLU N . 51929 1 376 . 1 . 1 48 48 THR H H 1 7.977 0.020 . 1 . . . . . 89 THR H . 51929 1 377 . 1 . 1 48 48 THR HA H 1 4.228 0.020 . 1 . . . . . 89 THR HA . 51929 1 378 . 1 . 1 48 48 THR HG21 H 1 1.219 0.020 . 1 . . . . . 89 THR HG21 . 51929 1 379 . 1 . 1 48 48 THR HG22 H 1 1.219 0.020 . 1 . . . . . 89 THR HG22 . 51929 1 380 . 1 . 1 48 48 THR HG23 H 1 1.219 0.020 . 1 . . . . . 89 THR HG23 . 51929 1 381 . 1 . 1 48 48 THR C C 13 175.026 0.400 . 1 . . . . . 89 THR C . 51929 1 382 . 1 . 1 48 48 THR CA C 13 63.694 0.400 . 1 . . . . . 89 THR CA . 51929 1 383 . 1 . 1 48 48 THR CB C 13 69.406 0.400 . 1 . . . . . 89 THR CB . 51929 1 384 . 1 . 1 48 48 THR CG2 C 13 21.635 0.400 . 1 . . . . . 89 THR CG2 . 51929 1 385 . 1 . 1 48 48 THR N N 15 114.166 0.400 . 1 . . . . . 89 THR N . 51929 1 386 . 1 . 1 49 49 ASN H H 1 8.324 0.020 . 1 . . . . . 90 ASN H . 51929 1 387 . 1 . 1 49 49 ASN HA H 1 4.679 0.020 . 1 . . . . . 90 ASN HA . 51929 1 388 . 1 . 1 49 49 ASN HB2 H 1 2.957 0.020 . 2 . . . . . 90 ASN HB2 . 51929 1 389 . 1 . 1 49 49 ASN C C 13 176.265 0.400 . 1 . . . . . 90 ASN C . 51929 1 390 . 1 . 1 49 49 ASN CA C 13 54.320 0.400 . 1 . . . . . 90 ASN CA . 51929 1 391 . 1 . 1 49 49 ASN CB C 13 38.834 0.400 . 1 . . . . . 90 ASN CB . 51929 1 392 . 1 . 1 49 49 ASN N N 15 121.746 0.400 . 1 . . . . . 90 ASN N . 51929 1 393 . 1 . 1 50 50 MET H H 1 8.434 0.020 . 1 . . . . . 91 MET H . 51929 1 394 . 1 . 1 50 50 MET HA H 1 4.253 0.020 . 1 . . . . . 91 MET HA . 51929 1 395 . 1 . 1 50 50 MET HB2 H 1 2.659 0.020 . 2 . . . . . 91 MET HB2 . 51929 1 396 . 1 . 1 50 50 MET C C 13 177.635 0.400 . 1 . . . . . 91 MET C . 51929 1 397 . 1 . 1 50 50 MET CA C 13 58.320 0.400 . 1 . . . . . 91 MET CA . 51929 1 398 . 1 . 1 50 50 MET CB C 13 31.945 0.400 . 1 . . . . . 91 MET CB . 51929 1 399 . 1 . 1 50 50 MET N N 15 120.882 0.400 . 1 . . . . . 91 MET N . 51929 1 400 . 1 . 1 51 51 ILE H H 1 8.129 0.020 . 1 . . . . . 92 ILE H . 51929 1 401 . 1 . 1 51 51 ILE HA H 1 4.144 0.020 . 1 . . . . . 92 ILE HA . 51929 1 402 . 1 . 1 51 51 ILE HB H 1 1.808 0.020 . 1 . . . . . 92 ILE HB . 51929 1 403 . 1 . 1 51 51 ILE HD11 H 1 0.893 0.020 . 1 . . . . . 92 ILE HD11 . 51929 1 404 . 1 . 1 51 51 ILE HD12 H 1 0.893 0.020 . 1 . . . . . 92 ILE HD12 . 51929 1 405 . 1 . 1 51 51 ILE HD13 H 1 0.893 0.020 . 1 . . . . . 92 ILE HD13 . 51929 1 406 . 1 . 1 51 51 ILE C C 13 177.157 0.400 . 1 . . . . . 92 ILE C . 51929 1 407 . 1 . 1 51 51 ILE CA C 13 64.827 0.400 . 1 . . . . . 92 ILE CA . 51929 1 408 . 1 . 1 51 51 ILE CB C 13 37.014 0.400 . 1 . . . . . 92 ILE CB . 51929 1 409 . 1 . 1 51 51 ILE CD1 C 13 17.535 0.400 . 1 . . . . . 92 ILE CD1 . 51929 1 410 . 1 . 1 51 51 ILE N N 15 117.966 0.400 . 1 . . . . . 92 ILE N . 51929 1 411 . 1 . 1 52 52 THR H H 1 7.828 0.020 . 1 . . . . . 93 THR H . 51929 1 412 . 1 . 1 52 52 THR HA H 1 4.256 0.020 . 1 . . . . . 93 THR HA . 51929 1 413 . 1 . 1 52 52 THR HG21 H 1 1.264 0.020 . 1 . . . . . 93 THR HG21 . 51929 1 414 . 1 . 1 52 52 THR HG22 H 1 1.264 0.020 . 1 . . . . . 93 THR HG22 . 51929 1 415 . 1 . 1 52 52 THR HG23 H 1 1.264 0.020 . 1 . . . . . 93 THR HG23 . 51929 1 416 . 1 . 1 52 52 THR C C 13 176.502 0.400 . 1 . . . . . 93 THR C . 51929 1 417 . 1 . 1 52 52 THR CA C 13 66.797 0.400 . 1 . . . . . 93 THR CA . 51929 1 418 . 1 . 1 52 52 THR CB C 13 68.458 0.400 . 1 . . . . . 93 THR CB . 51929 1 419 . 1 . 1 52 52 THR CG2 C 13 22.044 0.400 . 1 . . . . . 93 THR CG2 . 51929 1 420 . 1 . 1 52 52 THR N N 15 114.333 0.400 . 1 . . . . . 93 THR N . 51929 1 421 . 1 . 1 53 53 LEU H H 1 7.677 0.020 . 1 . . . . . 94 LEU H . 51929 1 422 . 1 . 1 53 53 LEU HA H 1 4.144 0.020 . 1 . . . . . 94 LEU HA . 51929 1 423 . 1 . 1 53 53 LEU CA C 13 58.408 0.400 . 1 . . . . . 94 LEU CA . 51929 1 424 . 1 . 1 53 53 LEU CB C 13 42.047 0.400 . 1 . . . . . 94 LEU CB . 51929 1 425 . 1 . 1 53 53 LEU N N 15 121.506 0.400 . 1 . . . . . 94 LEU N . 51929 1 426 . 1 . 1 54 54 LEU H H 1 8.083 0.020 . 1 . . . . . 95 LEU H . 51929 1 427 . 1 . 1 54 54 LEU CA C 13 58.431 0.400 . 1 . . . . . 95 LEU CA . 51929 1 428 . 1 . 1 54 54 LEU CB C 13 41.841 0.400 . 1 . . . . . 95 LEU CB . 51929 1 429 . 1 . 1 54 54 LEU N N 15 119.062 0.400 . 1 . . . . . 95 LEU N . 51929 1 430 . 1 . 1 55 55 VAL HA H 1 3.553 0.020 . 1 . . . . . 96 VAL HA . 51929 1 431 . 1 . 1 55 55 VAL HB H 1 1.993 0.020 . 1 . . . . . 96 VAL HB . 51929 1 432 . 1 . 1 55 55 VAL C C 13 177.427 0.400 . 1 . . . . . 96 VAL C . 51929 1 433 . 1 . 1 55 55 VAL CA C 13 67.371 0.400 . 1 . . . . . 96 VAL CA . 51929 1 434 . 1 . 1 55 55 VAL CB C 13 31.555 0.400 . 1 . . . . . 96 VAL CB . 51929 1 435 . 1 . 1 56 56 LYS H H 1 7.966 0.020 . 1 . . . . . 97 LYS H . 51929 1 436 . 1 . 1 56 56 LYS HA H 1 3.976 0.020 . 1 . . . . . 97 LYS HA . 51929 1 437 . 1 . 1 56 56 LYS HB2 H 1 1.999 0.020 . 2 . . . . . 97 LYS HB2 . 51929 1 438 . 1 . 1 56 56 LYS C C 13 179.078 0.400 . 1 . . . . . 97 LYS C . 51929 1 439 . 1 . 1 56 56 LYS CA C 13 60.334 0.400 . 1 . . . . . 97 LYS CA . 51929 1 440 . 1 . 1 56 56 LYS CB C 13 31.971 0.400 . 1 . . . . . 97 LYS CB . 51929 1 441 . 1 . 1 56 56 LYS CD C 13 25.610 0.400 . 1 . . . . . 97 LYS CD . 51929 1 442 . 1 . 1 56 56 LYS CE C 13 39.579 0.400 . 1 . . . . . 97 LYS CE . 51929 1 443 . 1 . 1 56 56 LYS N N 15 118.760 0.400 . 1 . . . . . 97 LYS N . 51929 1 444 . 1 . 1 57 57 LEU H H 1 8.274 0.020 . 1 . . . . . 98 LEU H . 51929 1 445 . 1 . 1 57 57 LEU HA H 1 4.161 0.020 . 1 . . . . . 98 LEU HA . 51929 1 446 . 1 . 1 57 57 LEU HB2 H 1 1.905 0.020 . 2 . . . . . 98 LEU HB2 . 51929 1 447 . 1 . 1 57 57 LEU HD11 H 1 0.936 0.020 . 2 . . . . . 98 LEU HD11 . 51929 1 448 . 1 . 1 57 57 LEU HD12 H 1 0.936 0.020 . 2 . . . . . 98 LEU HD12 . 51929 1 449 . 1 . 1 57 57 LEU HD13 H 1 0.936 0.020 . 2 . . . . . 98 LEU HD13 . 51929 1 450 . 1 . 1 57 57 LEU C C 13 180.175 0.400 . 1 . . . . . 98 LEU C . 51929 1 451 . 1 . 1 57 57 LEU CA C 13 57.703 0.400 . 1 . . . . . 98 LEU CA . 51929 1 452 . 1 . 1 57 57 LEU CB C 13 41.765 0.400 . 1 . . . . . 98 LEU CB . 51929 1 453 . 1 . 1 57 57 LEU CD1 C 13 23.910 0.400 . 2 . . . . . 98 LEU CD1 . 51929 1 454 . 1 . 1 57 57 LEU N N 15 118.189 0.400 . 1 . . . . . 98 LEU N . 51929 1 455 . 1 . 1 58 58 ALA H H 1 8.715 0.020 . 1 . . . . . 99 ALA H . 51929 1 456 . 1 . 1 58 58 ALA HA H 1 3.997 0.020 . 1 . . . . . 99 ALA HA . 51929 1 457 . 1 . 1 58 58 ALA HB1 H 1 1.567 0.020 . 1 . . . . . 99 ALA HB1 . 51929 1 458 . 1 . 1 58 58 ALA HB2 H 1 1.567 0.020 . 1 . . . . . 99 ALA HB2 . 51929 1 459 . 1 . 1 58 58 ALA HB3 H 1 1.567 0.020 . 1 . . . . . 99 ALA HB3 . 51929 1 460 . 1 . 1 58 58 ALA C C 13 178.911 0.400 . 1 . . . . . 99 ALA C . 51929 1 461 . 1 . 1 58 58 ALA CA C 13 55.820 0.400 . 1 . . . . . 99 ALA CA . 51929 1 462 . 1 . 1 58 58 ALA CB C 13 18.121 0.400 . 1 . . . . . 99 ALA CB . 51929 1 463 . 1 . 1 58 58 ALA N N 15 124.269 0.400 . 1 . . . . . 99 ALA N . 51929 1 464 . 1 . 1 59 59 LEU H H 1 8.359 0.020 . 1 . . . . . 100 LEU H . 51929 1 465 . 1 . 1 59 59 LEU CA C 13 58.354 0.400 . 1 . . . . . 100 LEU CA . 51929 1 466 . 1 . 1 59 59 LEU CB C 13 41.572 0.400 . 1 . . . . . 100 LEU CB . 51929 1 467 . 1 . 1 59 59 LEU N N 15 117.441 0.400 . 1 . . . . . 100 LEU N . 51929 1 468 . 1 . 1 60 60 ILE C C 13 178.977 0.400 . 1 . . . . . 101 ILE C . 51929 1 469 . 1 . 1 60 60 ILE CA C 13 64.866 0.400 . 1 . . . . . 101 ILE CA . 51929 1 470 . 1 . 1 60 60 ILE CB C 13 38.355 0.400 . 1 . . . . . 101 ILE CB . 51929 1 471 . 1 . 1 61 61 THR H H 1 8.000 0.020 . 1 . . . . . 102 THR H . 51929 1 472 . 1 . 1 61 61 THR HA H 1 4.339 0.020 . 1 . . . . . 102 THR HA . 51929 1 473 . 1 . 1 61 61 THR HB H 1 4.030 0.020 . 1 . . . . . 102 THR HB . 51929 1 474 . 1 . 1 61 61 THR C C 13 176.760 0.400 . 1 . . . . . 102 THR C . 51929 1 475 . 1 . 1 61 61 THR CA C 13 67.580 0.400 . 1 . . . . . 102 THR CA . 51929 1 476 . 1 . 1 61 61 THR CB C 13 68.647 0.400 . 1 . . . . . 102 THR CB . 51929 1 477 . 1 . 1 61 61 THR N N 15 117.813 0.400 . 1 . . . . . 102 THR N . 51929 1 478 . 1 . 1 62 62 VAL H H 1 8.462 0.020 . 1 . . . . . 103 VAL H . 51929 1 479 . 1 . 1 62 62 VAL HA H 1 3.863 0.020 . 1 . . . . . 103 VAL HA . 51929 1 480 . 1 . 1 62 62 VAL HB H 1 2.313 0.020 . 1 . . . . . 103 VAL HB . 51929 1 481 . 1 . 1 62 62 VAL C C 13 177.231 0.400 . 1 . . . . . 103 VAL C . 51929 1 482 . 1 . 1 62 62 VAL CA C 13 66.256 0.400 . 1 . . . . . 103 VAL CA . 51929 1 483 . 1 . 1 62 62 VAL N N 15 118.619 0.400 . 1 . . . . . 103 VAL N . 51929 1 484 . 1 . 1 63 63 SER H H 1 7.945 0.020 . 1 . . . . . 104 SER H . 51929 1 485 . 1 . 1 63 63 SER HA H 1 4.096 0.020 . 1 . . . . . 104 SER HA . 51929 1 486 . 1 . 1 63 63 SER C C 13 176.021 0.400 . 1 . . . . . 104 SER C . 51929 1 487 . 1 . 1 63 63 SER CA C 13 61.874 0.400 . 1 . . . . . 104 SER CA . 51929 1 488 . 1 . 1 63 63 SER CB C 13 62.994 0.400 . 1 . . . . . 104 SER CB . 51929 1 489 . 1 . 1 63 63 SER N N 15 114.509 0.400 . 1 . . . . . 104 SER N . 51929 1 490 . 1 . 1 64 64 GLY H H 1 7.774 0.020 . 1 . . . . . 105 GLY H . 51929 1 491 . 1 . 1 64 64 GLY C C 13 174.793 0.400 . 1 . . . . . 105 GLY C . 51929 1 492 . 1 . 1 64 64 GLY CA C 13 45.915 0.400 . 1 . . . . . 105 GLY CA . 51929 1 493 . 1 . 1 64 64 GLY N N 15 106.968 0.400 . 1 . . . . . 105 GLY N . 51929 1 494 . 1 . 1 65 65 LEU H H 1 7.719 0.020 . 1 . . . . . 106 LEU H . 51929 1 495 . 1 . 1 65 65 LEU CA C 13 55.719 0.400 . 1 . . . . . 106 LEU CA . 51929 1 496 . 1 . 1 65 65 LEU N N 15 118.837 0.400 . 1 . . . . . 106 LEU N . 51929 1 497 . 1 . 1 70 70 ILE H H 1 8.205 0.020 . 1 . . . . . 111 ILE H . 51929 1 498 . 1 . 1 70 70 ILE C C 13 179.846 0.400 . 1 . . . . . 111 ILE C . 51929 1 499 . 1 . 1 70 70 ILE N N 15 118.060 0.400 . 1 . . . . . 111 ILE N . 51929 1 500 . 1 . 1 71 71 PRO HA H 1 4.472 0.020 . 1 . . . . . 112 PRO HA . 51929 1 501 . 1 . 1 71 71 PRO CA C 13 66.180 0.400 . 1 . . . . . 112 PRO CA . 51929 1 502 . 1 . 1 72 72 VAL H H 1 7.681 0.020 . 1 . . . . . 113 VAL H . 51929 1 503 . 1 . 1 72 72 VAL HA H 1 3.857 0.020 . 1 . . . . . 113 VAL HA . 51929 1 504 . 1 . 1 72 72 VAL HB H 1 2.194 0.020 . 1 . . . . . 113 VAL HB . 51929 1 505 . 1 . 1 72 72 VAL C C 13 177.354 0.400 . 1 . . . . . 113 VAL C . 51929 1 506 . 1 . 1 72 72 VAL CA C 13 66.600 0.400 . 1 . . . . . 113 VAL CA . 51929 1 507 . 1 . 1 72 72 VAL CG2 C 13 25.860 0.400 . 2 . . . . . 113 VAL CG2 . 51929 1 508 . 1 . 1 72 72 VAL N N 15 117.095 0.400 . 1 . . . . . 113 VAL N . 51929 1 509 . 1 . 1 73 73 THR H H 1 8.117 0.020 . 1 . . . . . 114 THR H . 51929 1 510 . 1 . 1 73 73 THR CA C 13 68.053 0.400 . 1 . . . . . 114 THR CA . 51929 1 511 . 1 . 1 73 73 THR N N 15 115.935 0.400 . 1 . . . . . 114 THR N . 51929 1 512 . 1 . 1 74 74 MET H H 1 8.396 0.020 . 1 . . . . . 115 MET H . 51929 1 513 . 1 . 1 74 74 MET N N 15 118.530 0.400 . 1 . . . . . 115 MET N . 51929 1 514 . 1 . 1 75 75 THR H H 1 8.000 0.020 . 1 . . . . . 116 THR H . 51929 1 515 . 1 . 1 75 75 THR HA H 1 4.510 0.020 . 1 . . . . . 116 THR HA . 51929 1 516 . 1 . 1 75 75 THR C C 13 176.470 0.400 . 1 . . . . . 116 THR C . 51929 1 517 . 1 . 1 75 75 THR CA C 13 67.491 0.400 . 1 . . . . . 116 THR CA . 51929 1 518 . 1 . 1 75 75 THR CB C 13 68.829 0.400 . 1 . . . . . 116 THR CB . 51929 1 519 . 1 . 1 75 75 THR N N 15 117.813 0.400 . 1 . . . . . 116 THR N . 51929 1 520 . 1 . 1 76 76 LEU H H 1 8.253 0.020 . 1 . . . . . 117 LEU H . 51929 1 521 . 1 . 1 76 76 LEU HA H 1 4.230 0.020 . 1 . . . . . 117 LEU HA . 51929 1 522 . 1 . 1 76 76 LEU HB2 H 1 2.168 0.020 . 2 . . . . . 117 LEU HB2 . 51929 1 523 . 1 . 1 76 76 LEU HD11 H 1 0.874 0.020 . 2 . . . . . 117 LEU HD11 . 51929 1 524 . 1 . 1 76 76 LEU HD12 H 1 0.874 0.020 . 2 . . . . . 117 LEU HD12 . 51929 1 525 . 1 . 1 76 76 LEU HD13 H 1 0.874 0.020 . 2 . . . . . 117 LEU HD13 . 51929 1 526 . 1 . 1 76 76 LEU C C 13 178.243 0.400 . 1 . . . . . 117 LEU C . 51929 1 527 . 1 . 1 76 76 LEU CA C 13 58.487 0.400 . 1 . . . . . 117 LEU CA . 51929 1 528 . 1 . 1 76 76 LEU CB C 13 41.389 0.400 . 1 . . . . . 117 LEU CB . 51929 1 529 . 1 . 1 76 76 LEU CD1 C 13 22.900 0.400 . 2 . . . . . 117 LEU CD1 . 51929 1 530 . 1 . 1 76 76 LEU N N 15 122.003 0.400 . 1 . . . . . 117 LEU N . 51929 1 531 . 1 . 1 77 77 TRP H H 1 8.626 0.020 . 1 . . . . . 118 TRP H . 51929 1 532 . 1 . 1 77 77 TRP HA H 1 4.634 0.020 . 1 . . . . . 118 TRP HA . 51929 1 533 . 1 . 1 77 77 TRP HB2 H 1 3.263 0.020 . 2 . . . . . 118 TRP HB2 . 51929 1 534 . 1 . 1 77 77 TRP CA C 13 60.310 0.400 . 1 . . . . . 118 TRP CA . 51929 1 535 . 1 . 1 77 77 TRP N N 15 119.888 0.400 . 1 . . . . . 118 TRP N . 51929 1 536 . 1 . 1 78 78 TYR H H 1 8.317 0.020 . 1 . . . . . 119 TYR H . 51929 1 537 . 1 . 1 78 78 TYR N N 15 118.521 0.400 . 1 . . . . . 119 TYR N . 51929 1 538 . 1 . 1 79 79 MET HA H 1 4.069 0.020 . 1 . . . . . 120 MET HA . 51929 1 539 . 1 . 1 79 79 MET C C 13 174.243 0.400 . 1 . . . . . 120 MET C . 51929 1 540 . 1 . 1 79 79 MET CB C 13 31.812 0.400 . 1 . . . . . 120 MET CB . 51929 1 541 . 1 . 1 80 80 TRP H H 1 8.528 0.020 . 1 . . . . . 121 TRP H . 51929 1 542 . 1 . 1 80 80 TRP HA H 1 4.179 0.020 . 1 . . . . . 121 TRP HA . 51929 1 543 . 1 . 1 80 80 TRP C C 13 178.215 0.400 . 1 . . . . . 121 TRP C . 51929 1 544 . 1 . 1 80 80 TRP CA C 13 60.352 0.400 . 1 . . . . . 121 TRP CA . 51929 1 545 . 1 . 1 80 80 TRP CB C 13 28.923 0.400 . 1 . . . . . 121 TRP CB . 51929 1 546 . 1 . 1 80 80 TRP N N 15 120.426 0.400 . 1 . . . . . 121 TRP N . 51929 1 547 . 1 . 1 81 81 GLN H H 1 8.160 0.020 . 1 . . . . . 122 GLN H . 51929 1 548 . 1 . 1 81 81 GLN HA H 1 3.540 0.020 . 1 . . . . . 122 GLN HA . 51929 1 549 . 1 . 1 81 81 GLN HB2 H 1 1.889 0.020 . 2 . . . . . 122 GLN HB2 . 51929 1 550 . 1 . 1 81 81 GLN C C 13 178.344 0.400 . 1 . . . . . 122 GLN C . 51929 1 551 . 1 . 1 81 81 GLN CA C 13 58.726 0.400 . 1 . . . . . 122 GLN CA . 51929 1 552 . 1 . 1 81 81 GLN CB C 13 28.755 0.400 . 1 . . . . . 122 GLN CB . 51929 1 553 . 1 . 1 81 81 GLN N N 15 118.270 0.400 . 1 . . . . . 122 GLN N . 51929 1 554 . 1 . 1 82 82 VAL H H 1 7.797 0.020 . 1 . . . . . 123 VAL H . 51929 1 555 . 1 . 1 82 82 VAL HA H 1 3.720 0.020 . 1 . . . . . 123 VAL HA . 51929 1 556 . 1 . 1 82 82 VAL HB H 1 1.967 0.020 . 1 . . . . . 123 VAL HB . 51929 1 557 . 1 . 1 82 82 VAL HG21 H 1 0.788 0.020 . 2 . . . . . 123 VAL HG21 . 51929 1 558 . 1 . 1 82 82 VAL HG22 H 1 0.788 0.020 . 2 . . . . . 123 VAL HG22 . 51929 1 559 . 1 . 1 82 82 VAL HG23 H 1 0.788 0.020 . 2 . . . . . 123 VAL HG23 . 51929 1 560 . 1 . 1 82 82 VAL C C 13 178.267 0.400 . 1 . . . . . 123 VAL C . 51929 1 561 . 1 . 1 82 82 VAL CA C 13 65.237 0.400 . 1 . . . . . 123 VAL CA . 51929 1 562 . 1 . 1 82 82 VAL CB C 13 31.601 0.400 . 1 . . . . . 123 VAL CB . 51929 1 563 . 1 . 1 82 82 VAL CG2 C 13 21.435 0.400 . 2 . . . . . 123 VAL CG2 . 51929 1 564 . 1 . 1 82 82 VAL N N 15 116.976 0.400 . 1 . . . . . 123 VAL N . 51929 1 565 . 1 . 1 83 83 LYS H H 1 7.831 0.020 . 1 . . . . . 124 LYS H . 51929 1 566 . 1 . 1 83 83 LYS HA H 1 4.076 0.020 . 1 . . . . . 124 LYS HA . 51929 1 567 . 1 . 1 83 83 LYS HB2 H 1 1.804 0.020 . 2 . . . . . 124 LYS HB2 . 51929 1 568 . 1 . 1 83 83 LYS C C 13 177.909 0.400 . 1 . . . . . 124 LYS C . 51929 1 569 . 1 . 1 83 83 LYS CA C 13 57.822 0.400 . 1 . . . . . 124 LYS CA . 51929 1 570 . 1 . 1 83 83 LYS CB C 13 31.995 0.400 . 1 . . . . . 124 LYS CB . 51929 1 571 . 1 . 1 83 83 LYS N N 15 119.010 0.400 . 1 . . . . . 124 LYS N . 51929 1 572 . 1 . 1 84 84 THR H H 1 7.619 0.020 . 1 . . . . . 125 THR H . 51929 1 573 . 1 . 1 84 84 THR HA H 1 3.988 0.020 . 1 . . . . . 125 THR HA . 51929 1 574 . 1 . 1 84 84 THR C C 13 175.382 0.400 . 1 . . . . . 125 THR C . 51929 1 575 . 1 . 1 84 84 THR CA C 13 63.060 0.400 . 1 . . . . . 125 THR CA . 51929 1 576 . 1 . 1 84 84 THR CB C 13 69.588 0.400 . 1 . . . . . 125 THR CB . 51929 1 577 . 1 . 1 84 84 THR CG2 C 13 20.817 0.400 . 1 . . . . . 125 THR CG2 . 51929 1 578 . 1 . 1 84 84 THR N N 15 109.387 0.400 . 1 . . . . . 125 THR N . 51929 1 579 . 1 . 1 85 85 GLN H H 1 7.705 0.020 . 1 . . . . . 126 GLN H . 51929 1 580 . 1 . 1 85 85 GLN HA H 1 4.074 0.020 . 1 . . . . . 126 GLN HA . 51929 1 581 . 1 . 1 85 85 GLN HB2 H 1 2.052 0.020 . 2 . . . . . 126 GLN HB2 . 51929 1 582 . 1 . 1 85 85 GLN C C 13 176.564 0.400 . 1 . . . . . 126 GLN C . 51929 1 583 . 1 . 1 85 85 GLN CA C 13 57.130 0.400 . 1 . . . . . 126 GLN CA . 51929 1 584 . 1 . 1 85 85 GLN CB C 13 28.368 0.400 . 1 . . . . . 126 GLN CB . 51929 1 585 . 1 . 1 85 85 GLN N N 15 120.121 0.400 . 1 . . . . . 126 GLN N . 51929 1 586 . 1 . 1 86 86 ARG H H 1 7.854 0.020 . 1 . . . . . 127 ARG H . 51929 1 587 . 1 . 1 86 86 ARG CA C 13 56.748 0.400 . 1 . . . . . 127 ARG CA . 51929 1 588 . 1 . 1 86 86 ARG CB C 13 30.252 0.400 . 1 . . . . . 127 ARG CB . 51929 1 589 . 1 . 1 86 86 ARG N N 15 118.204 0.400 . 1 . . . . . 127 ARG N . 51929 1 stop_ save_