################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19840 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19840 1 2 '2D 1H-13C HSQC' . . . 19840 1 3 '3D CBCA(CO)NH' . . . 19840 1 4 '3D HBHA(CO)NH' . . . 19840 1 5 '3D H(CCO)NH' . . . 19840 1 6 '3D C(CO)NH' . . . 19840 1 7 '3D HCCH-TOCSY' . . . 19840 1 8 '3D HNCO' . . . 19840 1 9 '3D HNCACB' . . . 19840 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.374 0.003 . 1 . . . A 1 ASN HA . 19840 1 2 . 1 1 1 1 ASN HB2 H 1 2.803 0.005 . 2 . . . A 1 ASN HB2 . 19840 1 3 . 1 1 1 1 ASN HB3 H 1 2.779 0.003 . 2 . . . A 1 ASN HB3 . 19840 1 4 . 1 1 1 1 ASN CA C 13 53.430 0.000 . 1 . . . A 1 ASN CA . 19840 1 5 . 1 1 1 1 ASN CB C 13 39.840 0.000 . 1 . . . A 1 ASN CB . 19840 1 6 . 1 1 2 2 CYS H H 1 9.003 0.001 . 1 . . . A 2 CYS H . 19840 1 7 . 1 1 2 2 CYS HA H 1 5.082 0.006 . 1 . . . A 2 CYS HA . 19840 1 8 . 1 1 2 2 CYS HB2 H 1 2.501 0.009 . 2 . . . A 2 CYS HB2 . 19840 1 9 . 1 1 2 2 CYS HB3 H 1 3.242 0.006 . 2 . . . A 2 CYS HB3 . 19840 1 10 . 1 1 2 2 CYS CA C 13 53.264 0.000 . 1 . . . A 2 CYS CA . 19840 1 11 . 1 1 2 2 CYS CB C 13 39.218 0.000 . 1 . . . A 2 CYS CB . 19840 1 12 . 1 1 2 2 CYS N N 15 119.737 0.000 . 1 . . . A 2 CYS N . 19840 1 13 . 1 1 3 3 VAL H H 1 8.647 0.000 . 1 . . . A 3 VAL H . 19840 1 14 . 1 1 3 3 VAL HA H 1 4.177 0.006 . 1 . . . A 3 VAL HA . 19840 1 15 . 1 1 3 3 VAL HB H 1 1.461 0.008 . 1 . . . A 3 VAL HB . 19840 1 16 . 1 1 3 3 VAL HG11 H 1 0.712 0.009 . 2 . . . A 3 VAL HG11 . 19840 1 17 . 1 1 3 3 VAL HG12 H 1 0.712 0.009 . 2 . . . A 3 VAL HG12 . 19840 1 18 . 1 1 3 3 VAL HG13 H 1 0.712 0.009 . 2 . . . A 3 VAL HG13 . 19840 1 19 . 1 1 3 3 VAL HG21 H 1 0.668 0.008 . 2 . . . A 3 VAL HG21 . 19840 1 20 . 1 1 3 3 VAL HG22 H 1 0.668 0.008 . 2 . . . A 3 VAL HG22 . 19840 1 21 . 1 1 3 3 VAL HG23 H 1 0.668 0.008 . 2 . . . A 3 VAL HG23 . 19840 1 22 . 1 1 3 3 VAL CA C 13 64.132 0.000 . 1 . . . A 3 VAL CA . 19840 1 23 . 1 1 3 3 VAL CB C 13 31.608 0.000 . 1 . . . A 3 VAL CB . 19840 1 24 . 1 1 3 3 VAL CG1 C 13 21.009 0.000 . 2 . . . A 3 VAL CG1 . 19840 1 25 . 1 1 3 3 VAL CG2 C 13 23.054 0.000 . 2 . . . A 3 VAL CG2 . 19840 1 26 . 1 1 3 3 VAL N N 15 126.716 0.000 . 1 . . . A 3 VAL N . 19840 1 27 . 1 1 4 4 ALA H H 1 9.282 0.002 . 1 . . . A 4 ALA H . 19840 1 28 . 1 1 4 4 ALA HA H 1 4.773 0.007 . 1 . . . A 4 ALA HA . 19840 1 29 . 1 1 4 4 ALA HB1 H 1 1.069 0.009 . 1 . . . A 4 ALA HB1 . 19840 1 30 . 1 1 4 4 ALA HB2 H 1 1.069 0.009 . 1 . . . A 4 ALA HB2 . 19840 1 31 . 1 1 4 4 ALA HB3 H 1 1.069 0.009 . 1 . . . A 4 ALA HB3 . 19840 1 32 . 1 1 4 4 ALA CA C 13 49.964 0.000 . 1 . . . A 4 ALA CA . 19840 1 33 . 1 1 4 4 ALA CB C 13 22.047 0.000 . 1 . . . A 4 ALA CB . 19840 1 34 . 1 1 4 4 ALA N N 15 134.327 0.000 . 1 . . . A 4 ALA N . 19840 1 35 . 1 1 5 5 ASN H H 1 8.760 0.000 . 1 . . . A 5 ASN H . 19840 1 36 . 1 1 5 5 ASN HA H 1 5.516 0.010 . 1 . . . A 5 ASN HA . 19840 1 37 . 1 1 5 5 ASN HB2 H 1 2.407 0.008 . 2 . . . A 5 ASN HB2 . 19840 1 38 . 1 1 5 5 ASN HB3 H 1 2.723 0.006 . 2 . . . A 5 ASN HB3 . 19840 1 39 . 1 1 5 5 ASN HD21 H 1 6.857 0.003 . 2 . . . A 5 ASN HD21 . 19840 1 40 . 1 1 5 5 ASN HD22 H 1 7.690 0.002 . 2 . . . A 5 ASN HD22 . 19840 1 41 . 1 1 5 5 ASN CA C 13 50.853 0.000 . 1 . . . A 5 ASN CA . 19840 1 42 . 1 1 5 5 ASN CB C 13 40.194 0.000 . 1 . . . A 5 ASN CB . 19840 1 43 . 1 1 5 5 ASN N N 15 119.560 0.000 . 1 . . . A 5 ASN N . 19840 1 44 . 1 1 5 5 ASN ND2 N 15 111.393 0.000 . 2 . . . A 5 ASN ND2 . 19840 1 45 . 1 1 6 6 ILE H H 1 9.093 0.006 . 1 . . . A 6 ILE H . 19840 1 46 . 1 1 6 6 ILE HA H 1 4.961 0.006 . 1 . . . A 6 ILE HA . 19840 1 47 . 1 1 6 6 ILE HB H 1 2.079 0.006 . 1 . . . A 6 ILE HB . 19840 1 48 . 1 1 6 6 ILE HG12 H 1 1.516 0.007 . 2 . . . A 6 ILE HG12 . 19840 1 49 . 1 1 6 6 ILE HG13 H 1 1.246 0.004 . 2 . . . A 6 ILE HG13 . 19840 1 50 . 1 1 6 6 ILE HG21 H 1 1.059 0.006 . 1 . . . A 6 ILE HG21 . 19840 1 51 . 1 1 6 6 ILE HG22 H 1 1.059 0.006 . 1 . . . A 6 ILE HG22 . 19840 1 52 . 1 1 6 6 ILE HG23 H 1 1.059 0.006 . 1 . . . A 6 ILE HG23 . 19840 1 53 . 1 1 6 6 ILE HD11 H 1 0.736 0.007 . 1 . . . A 6 ILE HD11 . 19840 1 54 . 1 1 6 6 ILE HD12 H 1 0.736 0.007 . 1 . . . A 6 ILE HD12 . 19840 1 55 . 1 1 6 6 ILE HD13 H 1 0.736 0.007 . 1 . . . A 6 ILE HD13 . 19840 1 56 . 1 1 6 6 ILE CA C 13 57.398 0.000 . 1 . . . A 6 ILE CA . 19840 1 57 . 1 1 6 6 ILE CB C 13 35.561 0.000 . 1 . . . A 6 ILE CB . 19840 1 58 . 1 1 6 6 ILE CG1 C 13 27.024 0.000 . 1 . . . A 6 ILE CG1 . 19840 1 59 . 1 1 6 6 ILE CG2 C 13 17.108 0.000 . 1 . . . A 6 ILE CG2 . 19840 1 60 . 1 1 6 6 ILE CD1 C 13 9.227 0.000 . 1 . . . A 6 ILE CD1 . 19840 1 61 . 1 1 6 6 ILE N N 15 123.118 0.000 . 1 . . . A 6 ILE N . 19840 1 62 . 1 1 7 7 LEU H H 1 8.896 0.005 . 1 . . . A 7 LEU H . 19840 1 63 . 1 1 7 7 LEU HA H 1 5.399 0.008 . 1 . . . A 7 LEU HA . 19840 1 64 . 1 1 7 7 LEU HB2 H 1 1.251 0.007 . 2 . . . A 7 LEU HB2 . 19840 1 65 . 1 1 7 7 LEU HB3 H 1 1.541 0.007 . 2 . . . A 7 LEU HB3 . 19840 1 66 . 1 1 7 7 LEU HG H 1 1.312 0.007 . 1 . . . A 7 LEU HG . 19840 1 67 . 1 1 7 7 LEU HD11 H 1 0.612 0.006 . 2 . . . A 7 LEU HD11 . 19840 1 68 . 1 1 7 7 LEU HD12 H 1 0.612 0.006 . 2 . . . A 7 LEU HD12 . 19840 1 69 . 1 1 7 7 LEU HD13 H 1 0.612 0.006 . 2 . . . A 7 LEU HD13 . 19840 1 70 . 1 1 7 7 LEU HD21 H 1 0.504 0.007 . 2 . . . A 7 LEU HD21 . 19840 1 71 . 1 1 7 7 LEU HD22 H 1 0.504 0.007 . 2 . . . A 7 LEU HD22 . 19840 1 72 . 1 1 7 7 LEU HD23 H 1 0.504 0.007 . 2 . . . A 7 LEU HD23 . 19840 1 73 . 1 1 7 7 LEU CA C 13 52.382 0.000 . 1 . . . A 7 LEU CA . 19840 1 74 . 1 1 7 7 LEU CB C 13 44.218 0.000 . 1 . . . A 7 LEU CB . 19840 1 75 . 1 1 7 7 LEU CG C 13 27.879 0.000 . 1 . . . A 7 LEU CG . 19840 1 76 . 1 1 7 7 LEU CD1 C 13 25.500 0.000 . 2 . . . A 7 LEU CD1 . 19840 1 77 . 1 1 7 7 LEU CD2 C 13 24.100 0.000 . 2 . . . A 7 LEU CD2 . 19840 1 78 . 1 1 7 7 LEU N N 15 128.607 0.000 . 1 . . . A 7 LEU N . 19840 1 79 . 1 1 8 8 ASN H H 1 8.341 0.003 . 1 . . . A 8 ASN H . 19840 1 80 . 1 1 8 8 ASN HA H 1 4.847 0.008 . 1 . . . A 8 ASN HA . 19840 1 81 . 1 1 8 8 ASN HB2 H 1 3.020 0.020 . 2 . . . A 8 ASN HB2 . 19840 1 82 . 1 1 8 8 ASN HB3 H 1 3.651 0.011 . 2 . . . A 8 ASN HB3 . 19840 1 83 . 1 1 8 8 ASN HD21 H 1 7.310 0.001 . 2 . . . A 8 ASN HD21 . 19840 1 84 . 1 1 8 8 ASN HD22 H 1 7.695 0.003 . 2 . . . A 8 ASN HD22 . 19840 1 85 . 1 1 8 8 ASN CA C 13 50.359 0.000 . 1 . . . A 8 ASN CA . 19840 1 86 . 1 1 8 8 ASN CB C 13 39.476 0.000 . 1 . . . A 8 ASN CB . 19840 1 87 . 1 1 8 8 ASN N N 15 114.552 0.000 . 1 . . . A 8 ASN N . 19840 1 88 . 1 1 8 8 ASN ND2 N 15 111.740 0.000 . 1 . . . A 8 ASN ND2 . 19840 1 89 . 1 1 9 9 ILE H H 1 8.713 0.002 . 1 . . . A 9 ILE H . 19840 1 90 . 1 1 9 9 ILE HA H 1 4.013 0.008 . 1 . . . A 9 ILE HA . 19840 1 91 . 1 1 9 9 ILE HB H 1 1.918 0.009 . 1 . . . A 9 ILE HB . 19840 1 92 . 1 1 9 9 ILE HG12 H 1 1.583 0.004 . 2 . . . A 9 ILE HG12 . 19840 1 93 . 1 1 9 9 ILE HG13 H 1 1.341 0.005 . 2 . . . A 9 ILE HG13 . 19840 1 94 . 1 1 9 9 ILE HG21 H 1 0.873 0.009 . 1 . . . A 9 ILE HG21 . 19840 1 95 . 1 1 9 9 ILE HG22 H 1 0.873 0.009 . 1 . . . A 9 ILE HG22 . 19840 1 96 . 1 1 9 9 ILE HG23 H 1 0.873 0.009 . 1 . . . A 9 ILE HG23 . 19840 1 97 . 1 1 9 9 ILE HD11 H 1 0.904 0.005 . 1 . . . A 9 ILE HD11 . 19840 1 98 . 1 1 9 9 ILE HD12 H 1 0.904 0.005 . 1 . . . A 9 ILE HD12 . 19840 1 99 . 1 1 9 9 ILE HD13 H 1 0.904 0.005 . 1 . . . A 9 ILE HD13 . 19840 1 100 . 1 1 9 9 ILE CA C 13 63.509 0.000 . 1 . . . A 9 ILE CA . 19840 1 101 . 1 1 9 9 ILE CB C 13 38.538 0.000 . 1 . . . A 9 ILE CB . 19840 1 102 . 1 1 9 9 ILE CG1 C 13 28.932 0.000 . 1 . . . A 9 ILE CG1 . 19840 1 103 . 1 1 9 9 ILE CG2 C 13 16.305 0.000 . 1 . . . A 9 ILE CG2 . 19840 1 104 . 1 1 9 9 ILE CD1 C 13 14.108 0.000 . 1 . . . A 9 ILE CD1 . 19840 1 105 . 1 1 9 9 ILE N N 15 120.261 0.000 . 1 . . . A 9 ILE N . 19840 1 106 . 1 1 10 10 ASN H H 1 7.242 0.003 . 1 . . . A 10 ASN H . 19840 1 107 . 1 1 10 10 ASN HA H 1 4.897 0.008 . 1 . . . A 10 ASN HA . 19840 1 108 . 1 1 10 10 ASN HB2 H 1 2.506 0.009 . 2 . . . A 10 ASN HB2 . 19840 1 109 . 1 1 10 10 ASN HB3 H 1 3.043 0.008 . 2 . . . A 10 ASN HB3 . 19840 1 110 . 1 1 10 10 ASN CA C 13 52.939 0.000 . 1 . . . A 10 ASN CA . 19840 1 111 . 1 1 10 10 ASN CB C 13 38.741 0.000 . 1 . . . A 10 ASN CB . 19840 1 112 . 1 1 10 10 ASN N N 15 117.798 0.000 . 1 . . . A 10 ASN N . 19840 1 113 . 1 1 11 11 GLU H H 1 8.242 0.001 . 1 . . . A 11 GLU H . 19840 1 114 . 1 1 11 11 GLU HA H 1 3.548 0.005 . 1 . . . A 11 GLU HA . 19840 1 115 . 1 1 11 11 GLU HB2 H 1 2.210 0.006 . 2 . . . A 11 GLU HB2 . 19840 1 116 . 1 1 11 11 GLU HB3 H 1 2.306 0.003 . 2 . . . A 11 GLU HB3 . 19840 1 117 . 1 1 11 11 GLU HG2 H 1 2.115 0.005 . 2 . . . A 11 GLU HG2 . 19840 1 118 . 1 1 11 11 GLU HG3 H 1 1.992 0.008 . 2 . . . A 11 GLU HG3 . 19840 1 119 . 1 1 11 11 GLU CA C 13 58.111 0.000 . 1 . . . A 11 GLU CA . 19840 1 120 . 1 1 11 11 GLU CB C 13 25.932 0.000 . 1 . . . A 11 GLU CB . 19840 1 121 . 1 1 11 11 GLU CG C 13 36.608 0.000 . 1 . . . A 11 GLU CG . 19840 1 122 . 1 1 11 11 GLU N N 15 112.166 0.000 . 1 . . . A 11 GLU N . 19840 1 123 . 1 1 12 12 ALA H H 1 7.798 0.005 . 1 . . . A 12 ALA H . 19840 1 124 . 1 1 12 12 ALA HA H 1 4.502 0.010 . 1 . . . A 12 ALA HA . 19840 1 125 . 1 1 12 12 ALA HB1 H 1 1.246 0.007 . 1 . . . A 12 ALA HB1 . 19840 1 126 . 1 1 12 12 ALA HB2 H 1 1.246 0.007 . 1 . . . A 12 ALA HB2 . 19840 1 127 . 1 1 12 12 ALA HB3 H 1 1.246 0.007 . 1 . . . A 12 ALA HB3 . 19840 1 128 . 1 1 12 12 ALA CA C 13 50.413 0.000 . 1 . . . A 12 ALA CA . 19840 1 129 . 1 1 12 12 ALA CB C 13 19.623 0.000 . 1 . . . A 12 ALA CB . 19840 1 130 . 1 1 12 12 ALA N N 15 121.641 0.000 . 1 . . . A 12 ALA N . 19840 1 131 . 1 1 13 13 VAL H H 1 8.512 0.000 . 1 . . . A 13 VAL H . 19840 1 132 . 1 1 13 13 VAL HA H 1 4.076 0.008 . 1 . . . A 13 VAL HA . 19840 1 133 . 1 1 13 13 VAL HB H 1 1.915 0.003 . 1 . . . A 13 VAL HB . 19840 1 134 . 1 1 13 13 VAL HG11 H 1 0.802 0.008 . 2 . . . A 13 VAL HG11 . 19840 1 135 . 1 1 13 13 VAL HG12 H 1 0.802 0.008 . 2 . . . A 13 VAL HG12 . 19840 1 136 . 1 1 13 13 VAL HG13 H 1 0.802 0.008 . 2 . . . A 13 VAL HG13 . 19840 1 137 . 1 1 13 13 VAL HG21 H 1 0.869 0.008 . 2 . . . A 13 VAL HG21 . 19840 1 138 . 1 1 13 13 VAL HG22 H 1 0.869 0.008 . 2 . . . A 13 VAL HG22 . 19840 1 139 . 1 1 13 13 VAL HG23 H 1 0.869 0.008 . 2 . . . A 13 VAL HG23 . 19840 1 140 . 1 1 13 13 VAL CA C 13 63.484 0.000 . 1 . . . A 13 VAL CA . 19840 1 141 . 1 1 13 13 VAL CB C 13 31.277 0.000 . 1 . . . A 13 VAL CB . 19840 1 142 . 1 1 13 13 VAL CG1 C 13 21.513 0.000 . 1 . . . A 13 VAL CG1 . 19840 1 143 . 1 1 13 13 VAL CG2 C 13 21.500 0.000 . 1 . . . A 13 VAL CG2 . 19840 1 144 . 1 1 13 13 VAL N N 15 121.315 0.000 . 1 . . . A 13 VAL N . 19840 1 145 . 1 1 14 14 ILE H H 1 9.293 0.003 . 1 . . . A 14 ILE H . 19840 1 146 . 1 1 14 14 ILE HA H 1 4.635 0.006 . 1 . . . A 14 ILE HA . 19840 1 147 . 1 1 14 14 ILE HB H 1 2.104 0.000 . 1 . . . A 14 ILE HB . 19840 1 148 . 1 1 14 14 ILE HG12 H 1 1.016 0.005 . 2 . . . A 14 ILE HG12 . 19840 1 149 . 1 1 14 14 ILE HG13 H 1 1.105 0.006 . 2 . . . A 14 ILE HG13 . 19840 1 150 . 1 1 14 14 ILE HG21 H 1 0.945 0.010 . 1 . . . A 14 ILE HG21 . 19840 1 151 . 1 1 14 14 ILE HG22 H 1 0.945 0.010 . 1 . . . A 14 ILE HG22 . 19840 1 152 . 1 1 14 14 ILE HG23 H 1 0.945 0.010 . 1 . . . A 14 ILE HG23 . 19840 1 153 . 1 1 14 14 ILE HD11 H 1 0.850 0.005 . 1 . . . A 14 ILE HD11 . 19840 1 154 . 1 1 14 14 ILE HD12 H 1 0.850 0.005 . 1 . . . A 14 ILE HD12 . 19840 1 155 . 1 1 14 14 ILE HD13 H 1 0.850 0.005 . 1 . . . A 14 ILE HD13 . 19840 1 156 . 1 1 14 14 ILE CA C 13 61.188 0.000 . 1 . . . A 14 ILE CA . 19840 1 157 . 1 1 14 14 ILE CB C 13 39.644 0.000 . 1 . . . A 14 ILE CB . 19840 1 158 . 1 1 14 14 ILE CG1 C 13 25.374 0.000 . 1 . . . A 14 ILE CG1 . 19840 1 159 . 1 1 14 14 ILE CG2 C 13 18.279 0.000 . 1 . . . A 14 ILE CG2 . 19840 1 160 . 1 1 14 14 ILE CD1 C 13 14.850 0.000 . 1 . . . A 14 ILE CD1 . 19840 1 161 . 1 1 14 14 ILE N N 15 121.921 0.000 . 1 . . . A 14 ILE N . 19840 1 162 . 1 1 15 15 ALA H H 1 7.941 0.001 . 1 . . . A 15 ALA H . 19840 1 163 . 1 1 15 15 ALA HA H 1 4.624 0.006 . 1 . . . A 15 ALA HA . 19840 1 164 . 1 1 15 15 ALA HB1 H 1 1.441 0.008 . 1 . . . A 15 ALA HB1 . 19840 1 165 . 1 1 15 15 ALA HB2 H 1 1.441 0.008 . 1 . . . A 15 ALA HB2 . 19840 1 166 . 1 1 15 15 ALA HB3 H 1 1.441 0.008 . 1 . . . A 15 ALA HB3 . 19840 1 167 . 1 1 15 15 ALA CA C 13 52.546 0.000 . 1 . . . A 15 ALA CA . 19840 1 168 . 1 1 15 15 ALA CB C 13 22.693 0.000 . 1 . . . A 15 ALA CB . 19840 1 169 . 1 1 15 15 ALA N N 15 123.193 0.000 . 1 . . . A 15 ALA N . 19840 1 170 . 1 1 16 16 THR H H 1 8.582 0.000 . 1 . . . A 16 THR H . 19840 1 171 . 1 1 16 16 THR HA H 1 5.738 0.005 . 1 . . . A 16 THR HA . 19840 1 172 . 1 1 16 16 THR HB H 1 3.980 0.007 . 1 . . . A 16 THR HB . 19840 1 173 . 1 1 16 16 THR HG21 H 1 1.071 0.006 . 1 . . . A 16 THR HG21 . 19840 1 174 . 1 1 16 16 THR HG22 H 1 1.071 0.006 . 1 . . . A 16 THR HG22 . 19840 1 175 . 1 1 16 16 THR HG23 H 1 1.071 0.006 . 1 . . . A 16 THR HG23 . 19840 1 176 . 1 1 16 16 THR CA C 13 60.046 0.000 . 1 . . . A 16 THR CA . 19840 1 177 . 1 1 16 16 THR CB C 13 70.929 0.000 . 1 . . . A 16 THR CB . 19840 1 178 . 1 1 16 16 THR CG2 C 13 19.407 0.000 . 1 . . . A 16 THR CG2 . 19840 1 179 . 1 1 16 16 THR N N 15 114.723 0.000 . 1 . . . A 16 THR N . 19840 1 180 . 1 1 17 17 GLY H H 1 8.576 0.000 . 1 . . . A 17 GLY H . 19840 1 181 . 1 1 17 17 GLY HA2 H 1 3.536 0.007 . 1 . . . A 17 GLY HA2 . 19840 1 182 . 1 1 17 17 GLY HA3 H 1 4.392 0.009 . 1 . . . A 17 GLY HA3 . 19840 1 183 . 1 1 17 17 GLY CA C 13 45.095 0.000 . 1 . . . A 17 GLY CA . 19840 1 184 . 1 1 17 17 GLY N N 15 111.166 0.000 . 1 . . . A 17 GLY N . 19840 1 185 . 1 1 18 18 CYS H H 1 8.622 0.000 . 1 . . . A 18 CYS H . 19840 1 186 . 1 1 18 18 CYS HA H 1 4.930 0.012 . 1 . . . A 18 CYS HA . 19840 1 187 . 1 1 18 18 CYS HB2 H 1 2.897 0.006 . 2 . . . A 18 CYS HB2 . 19840 1 188 . 1 1 18 18 CYS HB3 H 1 2.909 0.007 . 2 . . . A 18 CYS HB3 . 19840 1 189 . 1 1 18 18 CYS CA C 13 53.999 0.000 . 1 . . . A 18 CYS CA . 19840 1 190 . 1 1 18 18 CYS CB C 13 39.899 0.000 . 1 . . . A 18 CYS CB . 19840 1 191 . 1 1 18 18 CYS N N 15 121.493 0.000 . 1 . . . A 18 CYS N . 19840 1 192 . 1 1 19 19 VAL H H 1 9.414 0.001 . 1 . . . A 19 VAL H . 19840 1 193 . 1 1 19 19 VAL HA H 1 4.019 0.005 . 1 . . . A 19 VAL HA . 19840 1 194 . 1 1 19 19 VAL HB H 1 1.834 0.007 . 1 . . . A 19 VAL HB . 19840 1 195 . 1 1 19 19 VAL HG11 H 1 0.858 0.011 . 2 . . . A 19 VAL HG11 . 19840 1 196 . 1 1 19 19 VAL HG12 H 1 0.858 0.011 . 2 . . . A 19 VAL HG12 . 19840 1 197 . 1 1 19 19 VAL HG13 H 1 0.858 0.011 . 2 . . . A 19 VAL HG13 . 19840 1 198 . 1 1 19 19 VAL HG21 H 1 0.864 0.005 . 2 . . . A 19 VAL HG21 . 19840 1 199 . 1 1 19 19 VAL HG22 H 1 0.864 0.005 . 2 . . . A 19 VAL HG22 . 19840 1 200 . 1 1 19 19 VAL HG23 H 1 0.864 0.005 . 2 . . . A 19 VAL HG23 . 19840 1 201 . 1 1 19 19 VAL CA C 13 59.537 0.000 . 1 . . . A 19 VAL CA . 19840 1 202 . 1 1 19 19 VAL CB C 13 33.825 0.000 . 1 . . . A 19 VAL CB . 19840 1 203 . 1 1 19 19 VAL CG1 C 13 21.776 0.000 . 2 . . . A 19 VAL CG1 . 19840 1 204 . 1 1 19 19 VAL CG2 C 13 21.325 0.000 . 2 . . . A 19 VAL CG2 . 19840 1 205 . 1 1 19 19 VAL N N 15 131.185 0.000 . 1 . . . A 19 VAL N . 19840 1 206 . 1 1 20 20 PRO HA H 1 4.012 0.007 . 1 . . . A 20 PRO HA . 19840 1 207 . 1 1 20 20 PRO HB2 H 1 1.640 0.006 . 2 . . . A 20 PRO HB2 . 19840 1 208 . 1 1 20 20 PRO HB3 H 1 2.257 0.005 . 2 . . . A 20 PRO HB3 . 19840 1 209 . 1 1 20 20 PRO HG2 H 1 1.961 0.003 . 2 . . . A 20 PRO HG2 . 19840 1 210 . 1 1 20 20 PRO HG3 H 1 2.183 0.005 . 2 . . . A 20 PRO HG3 . 19840 1 211 . 1 1 20 20 PRO HD2 H 1 3.916 0.004 . 2 . . . A 20 PRO HD2 . 19840 1 212 . 1 1 20 20 PRO HD3 H 1 3.375 0.004 . 2 . . . A 20 PRO HD3 . 19840 1 213 . 1 1 20 20 PRO CA C 13 62.492 0.000 . 1 . . . A 20 PRO CA . 19840 1 214 . 1 1 20 20 PRO CB C 13 31.931 0.000 . 1 . . . A 20 PRO CB . 19840 1 215 . 1 1 20 20 PRO CG C 13 27.989 0.000 . 1 . . . A 20 PRO CG . 19840 1 216 . 1 1 20 20 PRO CD C 13 51.287 0.000 . 1 . . . A 20 PRO CD . 19840 1 217 . 1 1 21 21 ALA H H 1 8.147 0.000 . 1 . . . A 21 ALA H . 19840 1 218 . 1 1 21 21 ALA HA H 1 3.907 0.009 . 1 . . . A 21 ALA HA . 19840 1 219 . 1 1 21 21 ALA HB1 H 1 1.391 0.006 . 1 . . . A 21 ALA HB1 . 19840 1 220 . 1 1 21 21 ALA HB2 H 1 1.391 0.006 . 1 . . . A 21 ALA HB2 . 19840 1 221 . 1 1 21 21 ALA HB3 H 1 1.391 0.006 . 1 . . . A 21 ALA HB3 . 19840 1 222 . 1 1 21 21 ALA CA C 13 53.558 0.000 . 1 . . . A 21 ALA CA . 19840 1 223 . 1 1 21 21 ALA CB C 13 17.717 0.000 . 1 . . . A 21 ALA CB . 19840 1 224 . 1 1 21 21 ALA N N 15 127.518 0.000 . 1 . . . A 21 ALA N . 19840 1 225 . 1 1 22 22 GLY H H 1 7.292 0.003 . 1 . . . A 22 GLY H . 19840 1 226 . 1 1 22 22 GLY HA2 H 1 3.758 0.007 . 2 . . . A 22 GLY HA2 . 19840 1 227 . 1 1 22 22 GLY HA3 H 1 4.170 0.008 . 2 . . . A 22 GLY HA3 . 19840 1 228 . 1 1 22 22 GLY CA C 13 46.038 0.000 . 1 . . . A 22 GLY CA . 19840 1 229 . 1 1 22 22 GLY N N 15 114.819 0.000 . 1 . . . A 22 GLY N . 19840 1 230 . 1 1 23 23 GLY H H 1 8.204 0.001 . 1 . . . A 23 GLY H . 19840 1 231 . 1 1 23 23 GLY HA2 H 1 3.523 0.008 . 2 . . . A 23 GLY HA2 . 19840 1 232 . 1 1 23 23 GLY HA3 H 1 4.590 0.012 . 2 . . . A 23 GLY HA3 . 19840 1 233 . 1 1 23 23 GLY CA C 13 44.366 0.000 . 1 . . . A 23 GLY CA . 19840 1 234 . 1 1 23 23 GLY N N 15 111.300 0.000 . 1 . . . A 23 GLY N . 19840 1 235 . 1 1 24 24 GLU H H 1 8.131 0.000 . 1 . . . A 24 GLU H . 19840 1 236 . 1 1 24 24 GLU HA H 1 5.594 0.008 . 1 . . . A 24 GLU HA . 19840 1 237 . 1 1 24 24 GLU HB2 H 1 1.882 0.006 . 2 . . . A 24 GLU HB2 . 19840 1 238 . 1 1 24 24 GLU HB3 H 1 1.637 0.001 . 2 . . . A 24 GLU HB3 . 19840 1 239 . 1 1 24 24 GLU HG2 H 1 1.885 0.005 . 2 . . . A 24 GLU HG2 . 19840 1 240 . 1 1 24 24 GLU HG3 H 1 1.647 0.002 . 2 . . . A 24 GLU HG3 . 19840 1 241 . 1 1 24 24 GLU CA C 13 53.749 0.000 . 1 . . . A 24 GLU CA . 19840 1 242 . 1 1 24 24 GLU CB C 13 35.193 0.000 . 1 . . . A 24 GLU CB . 19840 1 243 . 1 1 24 24 GLU CG C 13 34.000 0.000 . 1 . . . A 24 GLU CG . 19840 1 244 . 1 1 24 24 GLU N N 15 116.771 0.000 . 1 . . . A 24 GLU N . 19840 1 245 . 1 1 25 25 LEU H H 1 8.899 0.003 . 1 . . . A 25 LEU H . 19840 1 246 . 1 1 25 25 LEU HA H 1 4.465 0.005 . 1 . . . A 25 LEU HA . 19840 1 247 . 1 1 25 25 LEU HB2 H 1 1.438 0.002 . 2 . . . A 25 LEU HB2 . 19840 1 248 . 1 1 25 25 LEU HB3 H 1 1.683 0.001 . 2 . . . A 25 LEU HB3 . 19840 1 249 . 1 1 25 25 LEU HG H 1 1.475 0.003 . 1 . . . A 25 LEU HG . 19840 1 250 . 1 1 25 25 LEU HD11 H 1 1.083 0.007 . 2 . . . A 25 LEU HD11 . 19840 1 251 . 1 1 25 25 LEU HD12 H 1 1.083 0.007 . 2 . . . A 25 LEU HD12 . 19840 1 252 . 1 1 25 25 LEU HD13 H 1 1.083 0.007 . 2 . . . A 25 LEU HD13 . 19840 1 253 . 1 1 25 25 LEU HD21 H 1 0.783 0.019 . 2 . . . A 25 LEU HD21 . 19840 1 254 . 1 1 25 25 LEU HD22 H 1 0.783 0.019 . 2 . . . A 25 LEU HD22 . 19840 1 255 . 1 1 25 25 LEU HD23 H 1 0.783 0.019 . 2 . . . A 25 LEU HD23 . 19840 1 256 . 1 1 25 25 LEU CA C 13 54.586 0.000 . 1 . . . A 25 LEU CA . 19840 1 257 . 1 1 25 25 LEU CB C 13 49.054 0.000 . 1 . . . A 25 LEU CB . 19840 1 258 . 1 1 25 25 LEU CG C 13 26.828 0.000 . 1 . . . A 25 LEU CG . 19840 1 259 . 1 1 25 25 LEU CD1 C 13 22.929 0.000 . 2 . . . A 25 LEU CD1 . 19840 1 260 . 1 1 25 25 LEU CD2 C 13 27.178 0.000 . 2 . . . A 25 LEU CD2 . 19840 1 261 . 1 1 25 25 LEU N N 15 121.029 0.000 . 1 . . . A 25 LEU N . 19840 1 262 . 1 1 26 26 ARG H H 1 8.604 0.000 . 1 . . . A 26 ARG H . 19840 1 263 . 1 1 26 26 ARG HA H 1 4.864 0.008 . 1 . . . A 26 ARG HA . 19840 1 264 . 1 1 26 26 ARG HB2 H 1 1.521 0.006 . 2 . . . A 26 ARG HB2 . 19840 1 265 . 1 1 26 26 ARG HB3 H 1 1.708 0.005 . 2 . . . A 26 ARG HB3 . 19840 1 266 . 1 1 26 26 ARG HG2 H 1 0.566 0.007 . 2 . . . A 26 ARG HG2 . 19840 1 267 . 1 1 26 26 ARG HG3 H 1 0.851 0.007 . 2 . . . A 26 ARG HG3 . 19840 1 268 . 1 1 26 26 ARG HD2 H 1 2.905 0.004 . 2 . . . A 26 ARG HD2 . 19840 1 269 . 1 1 26 26 ARG HD3 H 1 3.059 0.004 . 2 . . . A 26 ARG HD3 . 19840 1 270 . 1 1 26 26 ARG CA C 13 55.359 0.000 . 1 . . . A 26 ARG CA . 19840 1 271 . 1 1 26 26 ARG CB C 13 29.623 0.000 . 1 . . . A 26 ARG CB . 19840 1 272 . 1 1 26 26 ARG CG C 13 27.135 0.000 . 1 . . . A 26 ARG CG . 19840 1 273 . 1 1 26 26 ARG CD C 13 42.613 0.000 . 1 . . . A 26 ARG CD . 19840 1 274 . 1 1 26 26 ARG N N 15 128.131 0.000 . 1 . . . A 26 ARG N . 19840 1 275 . 1 1 27 27 ILE H H 1 9.029 0.001 . 1 . . . A 27 ILE H . 19840 1 276 . 1 1 27 27 ILE HA H 1 4.202 0.008 . 1 . . . A 27 ILE HA . 19840 1 277 . 1 1 27 27 ILE HB H 1 1.534 0.007 . 1 . . . A 27 ILE HB . 19840 1 278 . 1 1 27 27 ILE HG12 H 1 1.607 0.004 . 2 . . . A 27 ILE HG12 . 19840 1 279 . 1 1 27 27 ILE HG13 H 1 0.830 0.008 . 2 . . . A 27 ILE HG13 . 19840 1 280 . 1 1 27 27 ILE HG21 H 1 0.723 0.001 . 1 . . . A 27 ILE HG21 . 19840 1 281 . 1 1 27 27 ILE HG22 H 1 0.723 0.001 . 1 . . . A 27 ILE HG22 . 19840 1 282 . 1 1 27 27 ILE HG23 H 1 0.723 0.001 . 1 . . . A 27 ILE HG23 . 19840 1 283 . 1 1 27 27 ILE HD11 H 1 0.698 0.003 . 1 . . . A 27 ILE HD11 . 19840 1 284 . 1 1 27 27 ILE HD12 H 1 0.698 0.003 . 1 . . . A 27 ILE HD12 . 19840 1 285 . 1 1 27 27 ILE HD13 H 1 0.698 0.003 . 1 . . . A 27 ILE HD13 . 19840 1 286 . 1 1 27 27 ILE CA C 13 60.765 0.000 . 1 . . . A 27 ILE CA . 19840 1 287 . 1 1 27 27 ILE CB C 13 40.383 0.000 . 1 . . . A 27 ILE CB . 19840 1 288 . 1 1 27 27 ILE CG1 C 13 27.639 0.000 . 1 . . . A 27 ILE CG1 . 19840 1 289 . 1 1 27 27 ILE CG2 C 13 17.233 0.000 . 1 . . . A 27 ILE CG2 . 19840 1 290 . 1 1 27 27 ILE CD1 C 13 13.718 0.000 . 1 . . . A 27 ILE CD1 . 19840 1 291 . 1 1 27 27 ILE N N 15 129.246 0.000 . 1 . . . A 27 ILE N . 19840 1 292 . 1 1 28 28 PHE H H 1 8.885 0.000 . 1 . . . A 28 PHE H . 19840 1 293 . 1 1 28 28 PHE HA H 1 3.968 0.007 . 1 . . . A 28 PHE HA . 19840 1 294 . 1 1 28 28 PHE HB2 H 1 2.926 0.011 . 2 . . . A 28 PHE HB2 . 19840 1 295 . 1 1 28 28 PHE HB3 H 1 3.106 0.007 . 2 . . . A 28 PHE HB3 . 19840 1 296 . 1 1 28 28 PHE HD1 H 1 7.243 0.004 . 3 . . . A 28 PHE HD1 . 19840 1 297 . 1 1 28 28 PHE HD2 H 1 7.243 0.004 . 3 . . . A 28 PHE HD2 . 19840 1 298 . 1 1 28 28 PHE HE1 H 1 6.950 0.000 . 3 . . . A 28 PHE HE1 . 19840 1 299 . 1 1 28 28 PHE HE2 H 1 6.950 0.000 . 3 . . . A 28 PHE HE2 . 19840 1 300 . 1 1 28 28 PHE HZ H 1 6.756 0.000 . 1 . . . A 28 PHE HZ . 19840 1 301 . 1 1 28 28 PHE CA C 13 58.921 0.000 . 1 . . . A 28 PHE CA . 19840 1 302 . 1 1 28 28 PHE CB C 13 39.444 0.000 . 1 . . . A 28 PHE CB . 19840 1 303 . 1 1 28 28 PHE CD1 C 13 131.380 0.000 . 1 . . . A 28 PHE CD1 . 19840 1 304 . 1 1 28 28 PHE CE1 C 13 130.480 0.000 . 1 . . . A 28 PHE CE1 . 19840 1 305 . 1 1 28 28 PHE CZ C 13 129.110 0.000 . 1 . . . A 28 PHE CZ . 19840 1 306 . 1 1 28 28 PHE N N 15 127.383 0.000 . 1 . . . A 28 PHE N . 19840 1 307 . 1 1 29 29 VAL H H 1 8.396 0.003 . 1 . . . A 29 VAL H . 19840 1 308 . 1 1 29 29 VAL HA H 1 3.887 0.006 . 1 . . . A 29 VAL HA . 19840 1 309 . 1 1 29 29 VAL HG11 H 1 0.744 0.006 . 2 . . . A 29 VAL HG11 . 19840 1 310 . 1 1 29 29 VAL HG12 H 1 0.744 0.006 . 2 . . . A 29 VAL HG12 . 19840 1 311 . 1 1 29 29 VAL HG13 H 1 0.744 0.006 . 2 . . . A 29 VAL HG13 . 19840 1 312 . 1 1 29 29 VAL HG21 H 1 0.540 0.002 . 2 . . . A 29 VAL HG21 . 19840 1 313 . 1 1 29 29 VAL HG22 H 1 0.540 0.002 . 2 . . . A 29 VAL HG22 . 19840 1 314 . 1 1 29 29 VAL HG23 H 1 0.540 0.002 . 2 . . . A 29 VAL HG23 . 19840 1 315 . 1 1 29 29 VAL CA C 13 61.099 0.000 . 1 . . . A 29 VAL CA . 19840 1 316 . 1 1 29 29 VAL CB C 13 30.194 0.000 . 1 . . . A 29 VAL CB . 19840 1 317 . 1 1 29 29 VAL CG1 C 13 22.401 0.000 . 2 . . . A 29 VAL CG1 . 19840 1 318 . 1 1 29 29 VAL CG2 C 13 20.588 0.000 . 2 . . . A 29 VAL CG2 . 19840 1 319 . 1 1 29 29 VAL N N 15 124.164 0.000 . 1 . . . A 29 VAL N . 19840 1 320 . 1 1 30 30 GLY H H 1 8.376 0.000 . 1 . . . A 30 GLY H . 19840 1 321 . 1 1 30 30 GLY HA2 H 1 3.800 0.006 . 2 . . . A 30 GLY HA2 . 19840 1 322 . 1 1 30 30 GLY HA3 H 1 4.025 0.007 . 2 . . . A 30 GLY HA3 . 19840 1 323 . 1 1 30 30 GLY CA C 13 46.252 0.000 . 1 . . . A 30 GLY CA . 19840 1 324 . 1 1 30 30 GLY N N 15 113.336 0.000 . 1 . . . A 30 GLY N . 19840 1 325 . 1 1 31 31 SER H H 1 8.290 0.000 . 1 . . . A 31 SER H . 19840 1 326 . 1 1 32 32 SER H H 1 8.344 0.002 . 1 . . . A 32 SER H . 19840 1 327 . 1 1 32 32 SER HA H 1 4.572 0.003 . 1 . . . A 32 SER HA . 19840 1 328 . 1 1 32 32 SER HB2 H 1 3.980 0.005 . 2 . . . A 32 SER HB2 . 19840 1 329 . 1 1 32 32 SER HB3 H 1 4.148 0.009 . 2 . . . A 32 SER HB3 . 19840 1 330 . 1 1 32 32 SER CA C 13 59.632 0.000 . 1 . . . A 32 SER CA . 19840 1 331 . 1 1 32 32 SER CB C 13 64.882 0.000 . 1 . . . A 32 SER CB . 19840 1 332 . 1 1 32 32 SER N N 15 114.602 0.000 . 1 . . . A 32 SER N . 19840 1 333 . 1 1 33 33 HIS H H 1 7.586 0.003 . 1 . . . A 33 HIS H . 19840 1 334 . 1 1 33 33 HIS HA H 1 4.881 0.004 . 1 . . . A 33 HIS HA . 19840 1 335 . 1 1 33 33 HIS HB2 H 1 3.098 0.006 . 2 . . . A 33 HIS HB2 . 19840 1 336 . 1 1 33 33 HIS HB3 H 1 3.353 0.007 . 2 . . . A 33 HIS HB3 . 19840 1 337 . 1 1 33 33 HIS CA C 13 55.139 0.000 . 1 . . . A 33 HIS CA . 19840 1 338 . 1 1 33 33 HIS CB C 13 29.454 0.000 . 1 . . . A 33 HIS CB . 19840 1 339 . 1 1 33 33 HIS N N 15 114.790 0.000 . 1 . . . A 33 HIS N . 19840 1 340 . 1 1 34 34 SER H H 1 8.169 0.000 . 1 . . . A 34 SER H . 19840 1 341 . 1 1 34 34 SER HA H 1 4.651 0.009 . 1 . . . A 34 SER HA . 19840 1 342 . 1 1 34 34 SER HB2 H 1 2.637 0.010 . 2 . . . A 34 SER HB2 . 19840 1 343 . 1 1 34 34 SER HB3 H 1 2.910 0.006 . 2 . . . A 34 SER HB3 . 19840 1 344 . 1 1 34 34 SER CA C 13 56.296 0.000 . 1 . . . A 34 SER CA . 19840 1 345 . 1 1 34 34 SER CB C 13 66.406 0.000 . 1 . . . A 34 SER CB . 19840 1 346 . 1 1 34 34 SER N N 15 112.452 0.000 . 1 . . . A 34 SER N . 19840 1 347 . 1 1 35 35 TYR H H 1 8.493 0.000 . 1 . . . A 35 TYR H . 19840 1 348 . 1 1 35 35 TYR HA H 1 5.047 0.012 . 1 . . . A 35 TYR HA . 19840 1 349 . 1 1 35 35 TYR HB2 H 1 2.245 0.007 . 2 . . . A 35 TYR HB2 . 19840 1 350 . 1 1 35 35 TYR HB3 H 1 2.711 0.006 . 2 . . . A 35 TYR HB3 . 19840 1 351 . 1 1 35 35 TYR HD1 H 1 6.741 0.004 . 3 . . . A 35 TYR HD1 . 19840 1 352 . 1 1 35 35 TYR HD2 H 1 6.741 0.004 . 3 . . . A 35 TYR HD2 . 19840 1 353 . 1 1 35 35 TYR HE1 H 1 7.111 0.004 . 3 . . . A 35 TYR HE1 . 19840 1 354 . 1 1 35 35 TYR HE2 H 1 7.111 0.004 . 3 . . . A 35 TYR HE2 . 19840 1 355 . 1 1 35 35 TYR CA C 13 55.601 0.000 . 1 . . . A 35 TYR CA . 19840 1 356 . 1 1 35 35 TYR CB C 13 43.070 0.000 . 1 . . . A 35 TYR CB . 19840 1 357 . 1 1 35 35 TYR CD1 C 13 132.540 0.000 . 1 . . . A 35 TYR CD1 . 19840 1 358 . 1 1 35 35 TYR CE1 C 13 117.810 0.000 . 1 . . . A 35 TYR CE1 . 19840 1 359 . 1 1 35 35 TYR N N 15 116.118 0.000 . 1 . . . A 35 TYR N . 19840 1 360 . 1 1 36 36 LEU H H 1 8.476 0.000 . 1 . . . A 36 LEU H . 19840 1 361 . 1 1 36 36 LEU HA H 1 4.565 0.005 . 1 . . . A 36 LEU HA . 19840 1 362 . 1 1 36 36 LEU HB2 H 1 2.044 0.008 . 2 . . . A 36 LEU HB2 . 19840 1 363 . 1 1 36 36 LEU HB3 H 1 1.070 0.007 . 2 . . . A 36 LEU HB3 . 19840 1 364 . 1 1 36 36 LEU HG H 1 1.201 0.006 . 1 . . . A 36 LEU HG . 19840 1 365 . 1 1 36 36 LEU HD11 H 1 0.773 0.006 . 2 . . . A 36 LEU HD11 . 19840 1 366 . 1 1 36 36 LEU HD12 H 1 0.773 0.006 . 2 . . . A 36 LEU HD12 . 19840 1 367 . 1 1 36 36 LEU HD13 H 1 0.773 0.006 . 2 . . . A 36 LEU HD13 . 19840 1 368 . 1 1 36 36 LEU HD21 H 1 0.651 0.005 . 2 . . . A 36 LEU HD21 . 19840 1 369 . 1 1 36 36 LEU HD22 H 1 0.651 0.005 . 2 . . . A 36 LEU HD22 . 19840 1 370 . 1 1 36 36 LEU HD23 H 1 0.651 0.005 . 2 . . . A 36 LEU HD23 . 19840 1 371 . 1 1 36 36 LEU CA C 13 53.796 0.000 . 1 . . . A 36 LEU CA . 19840 1 372 . 1 1 36 36 LEU CB C 13 41.810 0.000 . 1 . . . A 36 LEU CB . 19840 1 373 . 1 1 36 36 LEU CG C 13 26.994 0.000 . 1 . . . A 36 LEU CG . 19840 1 374 . 1 1 36 36 LEU CD1 C 13 25.384 0.000 . 2 . . . A 36 LEU CD1 . 19840 1 375 . 1 1 36 36 LEU CD2 C 13 23.145 0.000 . 2 . . . A 36 LEU CD2 . 19840 1 376 . 1 1 36 36 LEU N N 15 125.430 0.000 . 1 . . . A 36 LEU N . 19840 1 377 . 1 1 37 37 ILE H H 1 8.512 0.003 . 1 . . . A 37 ILE H . 19840 1 378 . 1 1 37 37 ILE HA H 1 4.607 0.006 . 1 . . . A 37 ILE HA . 19840 1 379 . 1 1 37 37 ILE HB H 1 1.999 0.005 . 1 . . . A 37 ILE HB . 19840 1 380 . 1 1 37 37 ILE HG12 H 1 1.472 0.004 . 2 . . . A 37 ILE HG12 . 19840 1 381 . 1 1 37 37 ILE HG13 H 1 1.191 0.007 . 2 . . . A 37 ILE HG13 . 19840 1 382 . 1 1 37 37 ILE HG21 H 1 0.811 0.004 . 2 . . . A 37 ILE HG21 . 19840 1 383 . 1 1 37 37 ILE HG22 H 1 0.811 0.004 . 2 . . . A 37 ILE HG22 . 19840 1 384 . 1 1 37 37 ILE HG23 H 1 0.811 0.004 . 2 . . . A 37 ILE HG23 . 19840 1 385 . 1 1 37 37 ILE HD11 H 1 0.563 0.007 . 1 . . . A 37 ILE HD11 . 19840 1 386 . 1 1 37 37 ILE HD12 H 1 0.563 0.007 . 1 . . . A 37 ILE HD12 . 19840 1 387 . 1 1 37 37 ILE HD13 H 1 0.563 0.007 . 1 . . . A 37 ILE HD13 . 19840 1 388 . 1 1 37 37 ILE CA C 13 57.337 0.000 . 1 . . . A 37 ILE CA . 19840 1 389 . 1 1 37 37 ILE CB C 13 37.601 0.000 . 1 . . . A 37 ILE CB . 19840 1 390 . 1 1 37 37 ILE CG1 C 13 26.960 0.000 . 1 . . . A 37 ILE CG1 . 19840 1 391 . 1 1 37 37 ILE CG2 C 13 19.018 0.000 . 1 . . . A 37 ILE CG2 . 19840 1 392 . 1 1 37 37 ILE CD1 C 13 10.532 0.000 . 1 . . . A 37 ILE CD1 . 19840 1 393 . 1 1 37 37 ILE N N 15 129.763 0.000 . 1 . . . A 37 ILE N . 19840 1 394 . 1 1 38 38 LYS H H 1 8.849 0.001 . 1 . . . A 38 LYS H . 19840 1 395 . 1 1 38 38 LYS HA H 1 4.958 0.005 . 1 . . . A 38 LYS HA . 19840 1 396 . 1 1 38 38 LYS HB2 H 1 1.650 0.006 . 2 . . . A 38 LYS HB2 . 19840 1 397 . 1 1 38 38 LYS HB3 H 1 1.671 0.003 . 2 . . . A 38 LYS HB3 . 19840 1 398 . 1 1 38 38 LYS HG2 H 1 1.227 0.003 . 2 . . . A 38 LYS HG2 . 19840 1 399 . 1 1 38 38 LYS HG3 H 1 1.246 0.000 . 2 . . . A 38 LYS HG3 . 19840 1 400 . 1 1 38 38 LYS HD2 H 1 1.487 0.000 . 2 . . . A 38 LYS HD2 . 19840 1 401 . 1 1 38 38 LYS HD3 H 1 1.552 0.004 . 2 . . . A 38 LYS HD3 . 19840 1 402 . 1 1 38 38 LYS HE2 H 1 2.831 0.010 . 2 . . . A 38 LYS HE2 . 19840 1 403 . 1 1 38 38 LYS HE3 H 1 2.837 0.000 . 2 . . . A 38 LYS HE3 . 19840 1 404 . 1 1 38 38 LYS CA C 13 54.054 0.000 . 1 . . . A 38 LYS CA . 19840 1 405 . 1 1 38 38 LYS CB C 13 34.807 0.000 . 1 . . . A 38 LYS CB . 19840 1 406 . 1 1 38 38 LYS CG C 13 24.678 0.000 . 1 . . . A 38 LYS CG . 19840 1 407 . 1 1 38 38 LYS CD C 13 29.231 0.000 . 1 . . . A 38 LYS CD . 19840 1 408 . 1 1 38 38 LYS CE C 13 41.870 0.000 . 1 . . . A 38 LYS CE . 19840 1 409 . 1 1 38 38 LYS N N 15 125.927 0.000 . 1 . . . A 38 LYS N . 19840 1 410 . 1 1 39 39 ALA H H 1 8.498 0.001 . 1 . . . A 39 ALA H . 19840 1 411 . 1 1 39 39 ALA HA H 1 5.671 0.008 . 1 . . . A 39 ALA HA . 19840 1 412 . 1 1 39 39 ALA HB1 H 1 1.321 0.005 . 1 . . . A 39 ALA HB1 . 19840 1 413 . 1 1 39 39 ALA HB2 H 1 1.321 0.005 . 1 . . . A 39 ALA HB2 . 19840 1 414 . 1 1 39 39 ALA HB3 H 1 1.321 0.005 . 1 . . . A 39 ALA HB3 . 19840 1 415 . 1 1 39 39 ALA CA C 13 49.202 0.000 . 1 . . . A 39 ALA CA . 19840 1 416 . 1 1 39 39 ALA CB C 13 23.170 0.000 . 1 . . . A 39 ALA CB . 19840 1 417 . 1 1 39 39 ALA N N 15 124.260 0.000 . 1 . . . A 39 ALA N . 19840 1 418 . 1 1 40 40 THR H H 1 8.996 0.000 . 1 . . . A 40 THR H . 19840 1 419 . 1 1 40 40 THR HA H 1 4.651 0.008 . 1 . . . A 40 THR HA . 19840 1 420 . 1 1 40 40 THR HB H 1 4.870 0.009 . 1 . . . A 40 THR HB . 19840 1 421 . 1 1 40 40 THR HG21 H 1 1.349 0.009 . 1 . . . A 40 THR HG21 . 19840 1 422 . 1 1 40 40 THR HG22 H 1 1.349 0.009 . 1 . . . A 40 THR HG22 . 19840 1 423 . 1 1 40 40 THR HG23 H 1 1.349 0.009 . 1 . . . A 40 THR HG23 . 19840 1 424 . 1 1 40 40 THR CA C 13 60.482 0.000 . 1 . . . A 40 THR CA . 19840 1 425 . 1 1 40 40 THR CB C 13 71.335 0.000 . 1 . . . A 40 THR CB . 19840 1 426 . 1 1 40 40 THR CG2 C 13 21.850 0.000 . 1 . . . A 40 THR CG2 . 19840 1 427 . 1 1 40 40 THR N N 15 112.492 0.000 . 1 . . . A 40 THR N . 19840 1 428 . 1 1 41 41 SER H H 1 8.288 0.000 . 1 . . . A 41 SER H . 19840 1 429 . 1 1 41 41 SER HB2 H 1 3.881 0.000 . 2 . . . A 41 SER HB2 . 19840 1 430 . 1 1 42 42 SER H H 1 7.629 0.004 . 1 . . . A 42 SER H . 19840 1 431 . 1 1 42 42 SER HA H 1 4.636 0.008 . 1 . . . A 42 SER HA . 19840 1 432 . 1 1 42 42 SER HB2 H 1 3.979 0.008 . 2 . . . A 42 SER HB2 . 19840 1 433 . 1 1 42 42 SER HB3 H 1 3.760 0.005 . 2 . . . A 42 SER HB3 . 19840 1 434 . 1 1 42 42 SER CA C 13 57.101 0.000 . 1 . . . A 42 SER CA . 19840 1 435 . 1 1 42 42 SER CB C 13 62.842 0.000 . 1 . . . A 42 SER CB . 19840 1 436 . 1 1 42 42 SER N N 15 113.261 0.000 . 1 . . . A 42 SER N . 19840 1 437 . 1 1 43 43 CYS H H 1 8.008 0.002 . 1 . . . A 43 CYS H . 19840 1 438 . 1 1 43 43 CYS HA H 1 4.311 0.006 . 1 . . . A 43 CYS HA . 19840 1 439 . 1 1 43 43 CYS HB2 H 1 3.149 0.011 . 2 . . . A 43 CYS HB2 . 19840 1 440 . 1 1 43 43 CYS HB3 H 1 3.695 0.007 . 2 . . . A 43 CYS HB3 . 19840 1 441 . 1 1 43 43 CYS CA C 13 54.093 0.000 . 1 . . . A 43 CYS CA . 19840 1 442 . 1 1 43 43 CYS CB C 13 32.030 0.000 . 1 . . . A 43 CYS CB . 19840 1 443 . 1 1 43 43 CYS N N 15 111.527 0.000 . 1 . . . A 43 CYS N . 19840 1 444 . 1 1 44 44 GLY H H 1 8.222 0.001 . 1 . . . A 44 GLY H . 19840 1 445 . 1 1 44 44 GLY HA2 H 1 4.186 0.010 . 2 . . . A 44 GLY HA2 . 19840 1 446 . 1 1 44 44 GLY HA3 H 1 3.494 0.011 . 2 . . . A 44 GLY HA3 . 19840 1 447 . 1 1 44 44 GLY CA C 13 45.585 0.000 . 1 . . . A 44 GLY CA . 19840 1 448 . 1 1 44 44 GLY N N 15 107.262 0.000 . 1 . . . A 44 GLY N . 19840 1 449 . 1 1 45 45 LEU H H 1 8.684 0.000 . 1 . . . A 45 LEU H . 19840 1 450 . 1 1 45 45 LEU HA H 1 5.586 0.006 . 1 . . . A 45 LEU HA . 19840 1 451 . 1 1 45 45 LEU HB2 H 1 1.036 0.005 . 2 . . . A 45 LEU HB2 . 19840 1 452 . 1 1 45 45 LEU HB3 H 1 1.785 0.002 . 2 . . . A 45 LEU HB3 . 19840 1 453 . 1 1 45 45 LEU HG H 1 1.855 0.006 . 1 . . . A 45 LEU HG . 19840 1 454 . 1 1 45 45 LEU HD11 H 1 0.853 0.005 . 2 . . . A 45 LEU HD11 . 19840 1 455 . 1 1 45 45 LEU HD12 H 1 0.853 0.005 . 2 . . . A 45 LEU HD12 . 19840 1 456 . 1 1 45 45 LEU HD13 H 1 0.853 0.005 . 2 . . . A 45 LEU HD13 . 19840 1 457 . 1 1 45 45 LEU HD21 H 1 0.598 0.009 . 2 . . . A 45 LEU HD21 . 19840 1 458 . 1 1 45 45 LEU HD22 H 1 0.598 0.009 . 2 . . . A 45 LEU HD22 . 19840 1 459 . 1 1 45 45 LEU HD23 H 1 0.598 0.009 . 2 . . . A 45 LEU HD23 . 19840 1 460 . 1 1 45 45 LEU CA C 13 53.741 0.000 . 1 . . . A 45 LEU CA . 19840 1 461 . 1 1 45 45 LEU CB C 13 44.311 0.000 . 1 . . . A 45 LEU CB . 19840 1 462 . 1 1 45 45 LEU CG C 13 26.608 0.000 . 1 . . . A 45 LEU CG . 19840 1 463 . 1 1 45 45 LEU CD1 C 13 26.215 0.000 . 2 . . . A 45 LEU CD1 . 19840 1 464 . 1 1 45 45 LEU CD2 C 13 22.900 0.000 . 2 . . . A 45 LEU CD2 . 19840 1 465 . 1 1 45 45 LEU N N 15 127.185 0.000 . 1 . . . A 45 LEU N . 19840 1 466 . 1 1 46 46 SER H H 1 8.856 0.000 . 1 . . . A 46 SER H . 19840 1 467 . 1 1 46 46 SER HA H 1 4.595 0.008 . 1 . . . A 46 SER HA . 19840 1 468 . 1 1 46 46 SER HB2 H 1 3.856 0.006 . 2 . . . A 46 SER HB2 . 19840 1 469 . 1 1 46 46 SER HB3 H 1 3.839 0.010 . 2 . . . A 46 SER HB3 . 19840 1 470 . 1 1 46 46 SER CA C 13 57.466 0.000 . 1 . . . A 46 SER CA . 19840 1 471 . 1 1 46 46 SER CB C 13 65.844 0.000 . 1 . . . A 46 SER CB . 19840 1 472 . 1 1 46 46 SER N N 15 114.241 0.000 . 1 . . . A 46 SER N . 19840 1 473 . 1 1 47 47 LEU H H 1 8.482 0.000 . 1 . . . A 47 LEU H . 19840 1 474 . 1 1 47 47 LEU HA H 1 4.756 0.006 . 1 . . . A 47 LEU HA . 19840 1 475 . 1 1 47 47 LEU HB2 H 1 1.211 0.007 . 2 . . . A 47 LEU HB2 . 19840 1 476 . 1 1 47 47 LEU HB3 H 1 1.388 0.007 . 2 . . . A 47 LEU HB3 . 19840 1 477 . 1 1 47 47 LEU HG H 1 0.992 0.006 . 1 . . . A 47 LEU HG . 19840 1 478 . 1 1 47 47 LEU HD11 H 1 -0.109 0.007 . 2 . . . A 47 LEU HD11 . 19840 1 479 . 1 1 47 47 LEU HD12 H 1 -0.109 0.007 . 2 . . . A 47 LEU HD12 . 19840 1 480 . 1 1 47 47 LEU HD13 H 1 -0.109 0.007 . 2 . . . A 47 LEU HD13 . 19840 1 481 . 1 1 47 47 LEU HD21 H 1 -0.079 0.005 . 2 . . . A 47 LEU HD21 . 19840 1 482 . 1 1 47 47 LEU HD22 H 1 -0.079 0.005 . 2 . . . A 47 LEU HD22 . 19840 1 483 . 1 1 47 47 LEU HD23 H 1 -0.079 0.005 . 2 . . . A 47 LEU HD23 . 19840 1 484 . 1 1 47 47 LEU CA C 13 53.725 0.000 . 1 . . . A 47 LEU CA . 19840 1 485 . 1 1 47 47 LEU CB C 13 43.078 0.000 . 1 . . . A 47 LEU CB . 19840 1 486 . 1 1 47 47 LEU CG C 13 26.811 0.000 . 1 . . . A 47 LEU CG . 19840 1 487 . 1 1 47 47 LEU CD1 C 13 24.202 0.000 . 2 . . . A 47 LEU CD1 . 19840 1 488 . 1 1 47 47 LEU CD2 C 13 24.717 0.000 . 2 . . . A 47 LEU CD2 . 19840 1 489 . 1 1 47 47 LEU N N 15 120.302 0.000 . 1 . . . A 47 LEU N . 19840 1 490 . 1 1 48 48 THR H H 1 8.472 0.003 . 1 . . . A 48 THR H . 19840 1 491 . 1 1 48 48 THR HA H 1 4.211 0.004 . 1 . . . A 48 THR HA . 19840 1 492 . 1 1 48 48 THR HB H 1 3.859 0.002 . 1 . . . A 48 THR HB . 19840 1 493 . 1 1 48 48 THR HG21 H 1 1.119 0.010 . 1 . . . A 48 THR HG21 . 19840 1 494 . 1 1 48 48 THR HG22 H 1 1.119 0.010 . 1 . . . A 48 THR HG22 . 19840 1 495 . 1 1 48 48 THR HG23 H 1 1.119 0.010 . 1 . . . A 48 THR HG23 . 19840 1 496 . 1 1 48 48 THR CA C 13 63.095 0.000 . 1 . . . A 48 THR CA . 19840 1 497 . 1 1 48 48 THR CB C 13 69.170 0.000 . 1 . . . A 48 THR CB . 19840 1 498 . 1 1 48 48 THR CG2 C 13 21.440 0.000 . 1 . . . A 48 THR CG2 . 19840 1 499 . 1 1 48 48 THR N N 15 119.533 0.000 . 1 . . . A 48 THR N . 19840 1 500 . 1 1 49 49 ASN H H 1 8.967 0.000 . 1 . . . A 49 ASN H . 19840 1 501 . 1 1 49 49 ASN HA H 1 4.511 0.010 . 1 . . . A 49 ASN HA . 19840 1 502 . 1 1 49 49 ASN HB2 H 1 2.859 0.004 . 2 . . . A 49 ASN HB2 . 19840 1 503 . 1 1 49 49 ASN HB3 H 1 2.937 0.004 . 2 . . . A 49 ASN HB3 . 19840 1 504 . 1 1 49 49 ASN CA C 13 53.577 0.000 . 1 . . . A 49 ASN CA . 19840 1 505 . 1 1 49 49 ASN CB C 13 37.381 0.000 . 1 . . . A 49 ASN CB . 19840 1 506 . 1 1 49 49 ASN N N 15 120.348 0.000 . 1 . . . A 49 ASN N . 19840 1 507 . 1 1 50 50 GLN H H 1 7.207 0.000 . 1 . . . A 50 GLN H . 19840 1 508 . 1 1 50 50 GLN HA H 1 4.672 0.004 . 1 . . . A 50 GLN HA . 19840 1 509 . 1 1 50 50 GLN HB2 H 1 2.440 0.008 . 2 . . . A 50 GLN HB2 . 19840 1 510 . 1 1 50 50 GLN HB3 H 1 2.220 0.003 . 2 . . . A 50 GLN HB3 . 19840 1 511 . 1 1 50 50 GLN HG2 H 1 2.460 0.000 . 2 . . . A 50 GLN HG2 . 19840 1 512 . 1 1 50 50 GLN HG3 H 1 1.865 0.006 . 2 . . . A 50 GLN HG3 . 19840 1 513 . 1 1 50 50 GLN CA C 13 54.515 0.000 . 1 . . . A 50 GLN CA . 19840 1 514 . 1 1 50 50 GLN CB C 13 34.947 0.000 . 1 . . . A 50 GLN CB . 19840 1 515 . 1 1 50 50 GLN CG C 13 34.992 0.000 . 1 . . . A 50 GLN CG . 19840 1 516 . 1 1 50 50 GLN N N 15 114.907 0.000 . 1 . . . A 50 GLN N . 19840 1 517 . 1 1 51 51 VAL H H 1 7.575 0.000 . 1 . . . A 51 VAL H . 19840 1 518 . 1 1 51 51 VAL HA H 1 4.430 0.002 . 1 . . . A 51 VAL HA . 19840 1 519 . 1 1 51 51 VAL HB H 1 2.191 0.006 . 1 . . . A 51 VAL HB . 19840 1 520 . 1 1 51 51 VAL HG11 H 1 0.904 0.008 . 2 . . . A 51 VAL HG11 . 19840 1 521 . 1 1 51 51 VAL HG12 H 1 0.904 0.008 . 2 . . . A 51 VAL HG12 . 19840 1 522 . 1 1 51 51 VAL HG13 H 1 0.904 0.008 . 2 . . . A 51 VAL HG13 . 19840 1 523 . 1 1 51 51 VAL HG21 H 1 0.764 0.007 . 2 . . . A 51 VAL HG21 . 19840 1 524 . 1 1 51 51 VAL HG22 H 1 0.764 0.007 . 2 . . . A 51 VAL HG22 . 19840 1 525 . 1 1 51 51 VAL HG23 H 1 0.764 0.007 . 2 . . . A 51 VAL HG23 . 19840 1 526 . 1 1 51 51 VAL CA C 13 59.441 0.000 . 1 . . . A 51 VAL CA . 19840 1 527 . 1 1 51 51 VAL CB C 13 34.108 0.000 . 1 . . . A 51 VAL CB . 19840 1 528 . 1 1 51 51 VAL CG1 C 13 21.293 0.000 . 2 . . . A 51 VAL CG1 . 19840 1 529 . 1 1 51 51 VAL CG2 C 13 18.338 0.000 . 2 . . . A 51 VAL CG2 . 19840 1 530 . 1 1 51 51 VAL N N 15 112.350 0.000 . 1 . . . A 51 VAL N . 19840 1 531 . 1 1 52 52 PHE H H 1 8.221 0.000 . 1 . . . A 52 PHE H . 19840 1 532 . 1 1 52 52 PHE HA H 1 4.422 0.007 . 1 . . . A 52 PHE HA . 19840 1 533 . 1 1 52 52 PHE HB2 H 1 2.653 0.006 . 2 . . . A 52 PHE HB2 . 19840 1 534 . 1 1 52 52 PHE HB3 H 1 2.933 0.003 . 2 . . . A 52 PHE HB3 . 19840 1 535 . 1 1 52 52 PHE HD1 H 1 6.967 0.002 . 3 . . . A 52 PHE HD1 . 19840 1 536 . 1 1 52 52 PHE HD2 H 1 6.967 0.002 . 3 . . . A 52 PHE HD2 . 19840 1 537 . 1 1 52 52 PHE HE1 H 1 6.690 0.000 . 3 . . . A 52 PHE HE1 . 19840 1 538 . 1 1 52 52 PHE HE2 H 1 6.690 0.000 . 3 . . . A 52 PHE HE2 . 19840 1 539 . 1 1 52 52 PHE HZ H 1 6.746 0.000 . 1 . . . A 52 PHE HZ . 19840 1 540 . 1 1 52 52 PHE CA C 13 60.310 0.000 . 1 . . . A 52 PHE CA . 19840 1 541 . 1 1 52 52 PHE CB C 13 40.650 0.000 . 1 . . . A 52 PHE CB . 19840 1 542 . 1 1 52 52 PHE CD1 C 13 131.380 0.000 . 3 . . . A 52 PHE CD1 . 19840 1 543 . 1 1 52 52 PHE CE1 C 13 130.480 0.000 . 3 . . . A 52 PHE CE1 . 19840 1 544 . 1 1 52 52 PHE CZ C 13 129.110 0.000 . 1 . . . A 52 PHE CZ . 19840 1 545 . 1 1 52 52 PHE N N 15 119.853 0.000 . 1 . . . A 52 PHE N . 19840 1 546 . 1 1 53 53 ILE H H 1 8.436 0.000 . 1 . . . A 53 ILE H . 19840 1 547 . 1 1 53 53 ILE HA H 1 4.688 0.005 . 1 . . . A 53 ILE HA . 19840 1 548 . 1 1 53 53 ILE HB H 1 1.678 0.005 . 1 . . . A 53 ILE HB . 19840 1 549 . 1 1 53 53 ILE HG12 H 1 0.955 0.004 . 2 . . . A 53 ILE HG12 . 19840 1 550 . 1 1 53 53 ILE HG13 H 1 0.943 0.007 . 2 . . . A 53 ILE HG13 . 19840 1 551 . 1 1 53 53 ILE HG21 H 1 0.860 0.004 . 1 . . . A 53 ILE HG21 . 19840 1 552 . 1 1 53 53 ILE HG22 H 1 0.860 0.004 . 1 . . . A 53 ILE HG22 . 19840 1 553 . 1 1 53 53 ILE HG23 H 1 0.860 0.004 . 1 . . . A 53 ILE HG23 . 19840 1 554 . 1 1 53 53 ILE HD11 H 1 0.159 0.006 . 1 . . . A 53 ILE HD11 . 19840 1 555 . 1 1 53 53 ILE HD12 H 1 0.159 0.006 . 1 . . . A 53 ILE HD12 . 19840 1 556 . 1 1 53 53 ILE HD13 H 1 0.159 0.006 . 1 . . . A 53 ILE HD13 . 19840 1 557 . 1 1 53 53 ILE CA C 13 59.582 0.000 . 1 . . . A 53 ILE CA . 19840 1 558 . 1 1 53 53 ILE CB C 13 41.131 0.000 . 1 . . . A 53 ILE CB . 19840 1 559 . 1 1 53 53 ILE CG1 C 13 25.388 0.000 . 1 . . . A 53 ILE CG1 . 19840 1 560 . 1 1 53 53 ILE CG2 C 13 17.909 0.000 . 1 . . . A 53 ILE CG2 . 19840 1 561 . 1 1 53 53 ILE CD1 C 13 13.027 0.000 . 1 . . . A 53 ILE CD1 . 19840 1 562 . 1 1 53 53 ILE N N 15 116.505 0.000 . 1 . . . A 53 ILE N . 19840 1 563 . 1 1 54 54 ASN H H 1 8.889 0.000 . 1 . . . A 54 ASN H . 19840 1 564 . 1 1 54 54 ASN HA H 1 4.351 0.005 . 1 . . . A 54 ASN HA . 19840 1 565 . 1 1 54 54 ASN HB2 H 1 3.063 0.005 . 2 . . . A 54 ASN HB2 . 19840 1 566 . 1 1 54 54 ASN HB3 H 1 3.089 0.003 . 2 . . . A 54 ASN HB3 . 19840 1 567 . 1 1 54 54 ASN CA C 13 54.129 0.000 . 1 . . . A 54 ASN CA . 19840 1 568 . 1 1 54 54 ASN CB C 13 37.453 0.000 . 1 . . . A 54 ASN CB . 19840 1 569 . 1 1 54 54 ASN N N 15 113.329 0.000 . 1 . . . A 54 ASN N . 19840 1 570 . 1 1 55 55 GLY H H 1 8.911 0.000 . 1 . . . A 55 GLY H . 19840 1 571 . 1 1 55 55 GLY HA2 H 1 3.677 0.007 . 2 . . . A 55 GLY HA2 . 19840 1 572 . 1 1 55 55 GLY HA3 H 1 3.906 0.005 . 2 . . . A 55 GLY HA3 . 19840 1 573 . 1 1 55 55 GLY CA C 13 46.132 0.000 . 1 . . . A 55 GLY CA . 19840 1 574 . 1 1 55 55 GLY N N 15 107.928 0.000 . 1 . . . A 55 GLY N . 19840 1 575 . 1 1 56 56 GLU H H 1 7.646 0.001 . 1 . . . A 56 GLU H . 19840 1 576 . 1 1 56 56 GLU HA H 1 4.590 0.007 . 1 . . . A 56 GLU HA . 19840 1 577 . 1 1 56 56 GLU HB2 H 1 2.515 0.007 . 2 . . . A 56 GLU HB2 . 19840 1 578 . 1 1 56 56 GLU HB3 H 1 2.145 0.006 . 2 . . . A 56 GLU HB3 . 19840 1 579 . 1 1 56 56 GLU HG2 H 1 2.507 0.006 . 2 . . . A 56 GLU HG2 . 19840 1 580 . 1 1 56 56 GLU HG3 H 1 2.615 0.004 . 2 . . . A 56 GLU HG3 . 19840 1 581 . 1 1 56 56 GLU CA C 13 55.616 0.000 . 1 . . . A 56 GLU CA . 19840 1 582 . 1 1 56 56 GLU CB C 13 30.193 0.000 . 1 . . . A 56 GLU CB . 19840 1 583 . 1 1 56 56 GLU CG C 13 37.655 0.000 . 1 . . . A 56 GLU CG . 19840 1 584 . 1 1 56 56 GLU N N 15 119.227 0.000 . 1 . . . A 56 GLU N . 19840 1 585 . 1 1 57 57 SER H H 1 7.939 0.002 . 1 . . . A 57 SER H . 19840 1 586 . 1 1 57 57 SER HA H 1 2.577 0.006 . 1 . . . A 57 SER HA . 19840 1 587 . 1 1 57 57 SER HB2 H 1 3.402 0.004 . 2 . . . A 57 SER HB2 . 19840 1 588 . 1 1 57 57 SER HB3 H 1 3.429 0.011 . 2 . . . A 57 SER HB3 . 19840 1 589 . 1 1 57 57 SER CA C 13 57.073 0.000 . 1 . . . A 57 SER CA . 19840 1 590 . 1 1 57 57 SER CB C 13 64.367 0.000 . 1 . . . A 57 SER CB . 19840 1 591 . 1 1 57 57 SER N N 15 109.621 0.000 . 1 . . . A 57 SER N . 19840 1 592 . 1 1 58 58 VAL H H 1 7.721 0.002 . 1 . . . A 58 VAL H . 19840 1 593 . 1 1 58 58 VAL HA H 1 5.488 0.003 . 1 . . . A 58 VAL HA . 19840 1 594 . 1 1 58 58 VAL HB H 1 1.785 0.007 . 1 . . . A 58 VAL HB . 19840 1 595 . 1 1 58 58 VAL HG11 H 1 0.854 0.005 . 2 . . . A 58 VAL HG11 . 19840 1 596 . 1 1 58 58 VAL HG12 H 1 0.854 0.005 . 2 . . . A 58 VAL HG12 . 19840 1 597 . 1 1 58 58 VAL HG13 H 1 0.854 0.005 . 2 . . . A 58 VAL HG13 . 19840 1 598 . 1 1 58 58 VAL HG21 H 1 0.874 0.000 . 2 . . . A 58 VAL HG21 . 19840 1 599 . 1 1 58 58 VAL HG22 H 1 0.874 0.000 . 2 . . . A 58 VAL HG22 . 19840 1 600 . 1 1 58 58 VAL HG23 H 1 0.874 0.000 . 2 . . . A 58 VAL HG23 . 19840 1 601 . 1 1 58 58 VAL CA C 13 57.914 0.000 . 1 . . . A 58 VAL CA . 19840 1 602 . 1 1 58 58 VAL CB C 13 34.794 0.000 . 1 . . . A 58 VAL CB . 19840 1 603 . 1 1 58 58 VAL CG1 C 13 19.366 0.000 . 2 . . . A 58 VAL CG1 . 19840 1 604 . 1 1 58 58 VAL CG2 C 13 23.264 0.000 . 2 . . . A 58 VAL CG2 . 19840 1 605 . 1 1 58 58 VAL N N 15 115.887 0.000 . 1 . . . A 58 VAL N . 19840 1 606 . 1 1 59 59 GLN H H 1 9.107 0.003 . 1 . . . A 59 GLN H . 19840 1 607 . 1 1 59 59 GLN HA H 1 4.669 0.005 . 1 . . . A 59 GLN HA . 19840 1 608 . 1 1 59 59 GLN HB2 H 1 1.784 0.005 . 2 . . . A 59 GLN HB2 . 19840 1 609 . 1 1 59 59 GLN HB3 H 1 2.010 0.009 . 2 . . . A 59 GLN HB3 . 19840 1 610 . 1 1 59 59 GLN HG2 H 1 2.387 0.003 . 2 . . . A 59 GLN HG2 . 19840 1 611 . 1 1 59 59 GLN HG3 H 1 2.214 0.004 . 2 . . . A 59 GLN HG3 . 19840 1 612 . 1 1 59 59 GLN CA C 13 53.560 0.000 . 1 . . . A 59 GLN CA . 19840 1 613 . 1 1 59 59 GLN CB C 13 33.889 0.000 . 1 . . . A 59 GLN CB . 19840 1 614 . 1 1 59 59 GLN CG C 13 33.720 0.000 . 1 . . . A 59 GLN CG . 19840 1 615 . 1 1 59 59 GLN N N 15 126.845 0.000 . 1 . . . A 59 GLN N . 19840 1 616 . 1 1 60 60 SER H H 1 8.959 0.000 . 1 . . . A 60 SER H . 19840 1 617 . 1 1 60 60 SER HA H 1 4.768 0.008 . 1 . . . A 60 SER HA . 19840 1 618 . 1 1 60 60 SER HB2 H 1 4.012 0.003 . 2 . . . A 60 SER HB2 . 19840 1 619 . 1 1 60 60 SER HB3 H 1 4.073 0.004 . 2 . . . A 60 SER HB3 . 19840 1 620 . 1 1 60 60 SER CA C 13 58.438 0.000 . 1 . . . A 60 SER CA . 19840 1 621 . 1 1 60 60 SER CB C 13 63.484 0.000 . 1 . . . A 60 SER CB . 19840 1 622 . 1 1 60 60 SER N N 15 119.479 0.000 . 1 . . . A 60 SER N . 19840 1 623 . 1 1 61 61 GLY H H 1 8.287 0.003 . 1 . . . A 61 GLY H . 19840 1 624 . 1 1 61 61 GLY HA2 H 1 3.278 0.010 . 2 . . . A 61 GLY HA2 . 19840 1 625 . 1 1 61 61 GLY HA3 H 1 4.678 0.007 . 2 . . . A 61 GLY HA3 . 19840 1 626 . 1 1 61 61 GLY CA C 13 44.893 0.000 . 1 . . . A 61 GLY CA . 19840 1 627 . 1 1 61 61 GLY N N 15 113.757 0.000 . 1 . . . A 61 GLY N . 19840 1 628 . 1 1 62 62 GLY H H 1 7.868 0.003 . 1 . . . A 62 GLY H . 19840 1 629 . 1 1 62 62 GLY HA2 H 1 3.852 0.009 . 2 . . . A 62 GLY HA2 . 19840 1 630 . 1 1 62 62 GLY HA3 H 1 4.470 0.003 . 2 . . . A 62 GLY HA3 . 19840 1 631 . 1 1 62 62 GLY CA C 13 43.932 0.000 . 1 . . . A 62 GLY CA . 19840 1 632 . 1 1 62 62 GLY N N 15 108.329 0.000 . 1 . . . A 62 GLY N . 19840 1 633 . 1 1 63 63 ARG H H 1 8.730 0.000 . 1 . . . A 63 ARG H . 19840 1 634 . 1 1 63 63 ARG HA H 1 5.229 0.006 . 1 . . . A 63 ARG HA . 19840 1 635 . 1 1 63 63 ARG HB2 H 1 1.819 0.003 . 2 . . . A 63 ARG HB2 . 19840 1 636 . 1 1 63 63 ARG HB3 H 1 2.000 0.005 . 2 . . . A 63 ARG HB3 . 19840 1 637 . 1 1 63 63 ARG HG2 H 1 1.754 0.005 . 2 . . . A 63 ARG HG2 . 19840 1 638 . 1 1 63 63 ARG HG3 H 1 1.661 0.005 . 2 . . . A 63 ARG HG3 . 19840 1 639 . 1 1 63 63 ARG HD2 H 1 3.260 0.005 . 2 . . . A 63 ARG HD2 . 19840 1 640 . 1 1 63 63 ARG HD3 H 1 3.277 0.000 . 2 . . . A 63 ARG HD3 . 19840 1 641 . 1 1 63 63 ARG CA C 13 54.037 0.000 . 1 . . . A 63 ARG CA . 19840 1 642 . 1 1 63 63 ARG CB C 13 31.849 0.000 . 1 . . . A 63 ARG CB . 19840 1 643 . 1 1 63 63 ARG CG C 13 27.123 0.000 . 1 . . . A 63 ARG CG . 19840 1 644 . 1 1 63 63 ARG CD C 13 42.749 0.000 . 1 . . . A 63 ARG CD . 19840 1 645 . 1 1 63 63 ARG N N 15 122.424 0.000 . 1 . . . A 63 ARG N . 19840 1 646 . 1 1 64 64 CYS H H 1 7.798 0.005 . 1 . . . A 64 CYS H . 19840 1 647 . 1 1 64 64 CYS HA H 1 4.456 0.005 . 1 . . . A 64 CYS HA . 19840 1 648 . 1 1 64 64 CYS HB2 H 1 3.151 0.005 . 2 . . . A 64 CYS HB2 . 19840 1 649 . 1 1 64 64 CYS HB3 H 1 3.413 0.000 . 2 . . . A 64 CYS HB3 . 19840 1 650 . 1 1 64 64 CYS CA C 13 56.187 0.000 . 1 . . . A 64 CYS CA . 19840 1 651 . 1 1 64 64 CYS CB C 13 48.780 0.000 . 1 . . . A 64 CYS CB . 19840 1 652 . 1 1 64 64 CYS N N 15 123.308 0.000 . 1 . . . A 64 CYS N . 19840 1 stop_ save_