################################### # 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 31011 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 31011 1 2 '2D 1H-13C HSQC' . . . 31011 1 3 '2D 1H-13C HSQC aromatic' . . . 31011 1 4 '2D 1H-1H TOCSY' . . . 31011 1 5 '2D 1H-1H COSY' . . . 31011 1 6 '2D 1H-1H NOESY' . . . 31011 1 7 '3D HCCH-COSY' . . . 31011 1 8 '3D HCCH-TOCSY' . . . 31011 1 9 '3D HNCO' . . . 31011 1 10 '3D HNCACB' . . . 31011 1 11 '3D HBHA(CO)NH' . . . 31011 1 12 '2D HBCBCGCDCEHE' . . . 31011 1 13 '2D HBCBCGCDHD' . . . 31011 1 14 '3D 1H-15N NOESY' . . . 31011 1 15 '3D 1H-13C NOESY aromatic' . . . 31011 1 16 '3D 1H-13C NOESY' . . . 31011 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 16 16 VAL H H 1 8.579 0.011 . 1 . . . . A 16 VAL H . 31011 1 2 . 1 . 1 16 16 VAL HA H 1 4.22 0.011 . 1 . . . . A 16 VAL HA . 31011 1 3 . 1 . 1 16 16 VAL HB H 1 2.201 0.006 . 1 . . . . A 16 VAL HB . 31011 1 4 . 1 . 1 16 16 VAL HG11 H 1 0.719 0.004 . . . . . . A 16 VAL HG11 . 31011 1 5 . 1 . 1 16 16 VAL HG12 H 1 0.719 0.004 . . . . . . A 16 VAL HG12 . 31011 1 6 . 1 . 1 16 16 VAL HG13 H 1 0.719 0.004 . . . . . . A 16 VAL HG13 . 31011 1 7 . 1 . 1 16 16 VAL HG21 H 1 0.676 0.002 . . . . . . A 16 VAL HG21 . 31011 1 8 . 1 . 1 16 16 VAL HG22 H 1 0.676 0.002 . . . . . . A 16 VAL HG22 . 31011 1 9 . 1 . 1 16 16 VAL HG23 H 1 0.676 0.002 . . . . . . A 16 VAL HG23 . 31011 1 10 . 1 . 1 16 16 VAL C C 13 176.913 0 . 1 . . . . A 16 VAL C . 31011 1 11 . 1 . 1 16 16 VAL CA C 13 60.275 0.03 . 1 . . . . A 16 VAL CA . 31011 1 12 . 1 . 1 16 16 VAL CB C 13 32.365 0.04 . 1 . . . . A 16 VAL CB . 31011 1 13 . 1 . 1 16 16 VAL CG1 C 13 18.611 0.013 . . . . . . A 16 VAL CG1 . 31011 1 14 . 1 . 1 16 16 VAL CG2 C 13 21.129 0.02 . . . . . . A 16 VAL CG2 . 31011 1 15 . 1 . 1 16 16 VAL N N 15 123.702 0.083 . 1 . . . . A 16 VAL N . 31011 1 16 . 1 . 1 17 17 GLN H H 1 8.579 0.011 . 1 . . . . A 17 GLN H . 31011 1 17 . 1 . 1 17 17 GLN HA H 1 4.471 0.005 . 1 . . . . A 17 GLN HA . 31011 1 18 . 1 . 1 17 17 GLN HB2 H 1 2.275 0.004 . . . . . . A 17 GLN HB2 . 31011 1 19 . 1 . 1 17 17 GLN HB3 H 1 1.768 0.005 . . . . . . A 17 GLN HB3 . 31011 1 20 . 1 . 1 17 17 GLN HG2 H 1 2.552 0.005 . . . . . . A 17 GLN HG2 . 31011 1 21 . 1 . 1 17 17 GLN HG3 H 1 2.505 0.009 . . . . . . A 17 GLN HG3 . 31011 1 22 . 1 . 1 17 17 GLN HE21 H 1 7.54 0.004 . . . . . . A 17 GLN HE21 . 31011 1 23 . 1 . 1 17 17 GLN HE22 H 1 6.884 0.006 . . . . . . A 17 GLN HE22 . 31011 1 24 . 1 . 1 17 17 GLN C C 13 174.642 0 . 1 . . . . A 17 GLN C . 31011 1 25 . 1 . 1 17 17 GLN CA C 13 54.146 0.034 . 1 . . . . A 17 GLN CA . 31011 1 26 . 1 . 1 17 17 GLN CB C 13 29.378 0.047 . 1 . . . . A 17 GLN CB . 31011 1 27 . 1 . 1 17 17 GLN CG C 13 34.045 0 . 1 . . . . A 17 GLN CG . 31011 1 28 . 1 . 1 17 17 GLN N N 15 123.702 0.083 . 1 . . . . A 17 GLN N . 31011 1 29 . 1 . 1 17 17 GLN NE2 N 15 111.874 0.027 . 1 . . . . A 17 GLN NE2 . 31011 1 30 . 1 . 1 18 18 ASP H H 1 8.247 0.005 . 1 . . . . A 18 ASP H . 31011 1 31 . 1 . 1 18 18 ASP HA H 1 4.221 0.007 . 1 . . . . A 18 ASP HA . 31011 1 32 . 1 . 1 18 18 ASP HB2 H 1 2.743 0.013 . . . . . . A 18 ASP HB2 . 31011 1 33 . 1 . 1 18 18 ASP HB3 H 1 2.588 0.008 . . . . . . A 18 ASP HB3 . 31011 1 34 . 1 . 1 18 18 ASP C C 13 174.919 0 . 1 . . . . A 18 ASP C . 31011 1 35 . 1 . 1 18 18 ASP CA C 13 55.954 0.02 . 1 . . . . A 18 ASP CA . 31011 1 36 . 1 . 1 18 18 ASP CB C 13 39.563 0.07 . 1 . . . . A 18 ASP CB . 31011 1 37 . 1 . 1 18 18 ASP N N 15 118.412 0.027 . 1 . . . . A 18 ASP N . 31011 1 38 . 1 . 1 19 19 GLU H H 1 7.224 0.005 . 1 . . . . A 19 GLU H . 31011 1 39 . 1 . 1 19 19 GLU HA H 1 4.329 0.004 . 1 . . . . A 19 GLU HA . 31011 1 40 . 1 . 1 19 19 GLU HB2 H 1 1.828 0.006 . . . . . . A 19 GLU HB2 . 31011 1 41 . 1 . 1 19 19 GLU HB3 H 1 1.678 0.008 . . . . . . A 19 GLU HB3 . 31011 1 42 . 1 . 1 19 19 GLU HG2 H 1 2.05 0.008 . . . . . . A 19 GLU HG2 . 31011 1 43 . 1 . 1 19 19 GLU HG3 H 1 2.05 0.008 . . . . . . A 19 GLU HG3 . 31011 1 44 . 1 . 1 19 19 GLU C C 13 175.198 0 . 1 . . . . A 19 GLU C . 31011 1 45 . 1 . 1 19 19 GLU CA C 13 53.027 0.093 . 1 . . . . A 19 GLU CA . 31011 1 46 . 1 . 1 19 19 GLU CB C 13 32.351 0.039 . 1 . . . . A 19 GLU CB . 31011 1 47 . 1 . 1 19 19 GLU CG C 13 36.067 0.008 . 1 . . . . A 19 GLU CG . 31011 1 48 . 1 . 1 19 19 GLU N N 15 110.917 0.067 . 1 . . . . A 19 GLU N . 31011 1 49 . 1 . 1 20 20 VAL H H 1 8.128 0.004 . 1 . . . . A 20 VAL H . 31011 1 50 . 1 . 1 20 20 VAL HA H 1 3.177 0.007 . 1 . . . . A 20 VAL HA . 31011 1 51 . 1 . 1 20 20 VAL HB H 1 1.592 0.008 . 1 . . . . A 20 VAL HB . 31011 1 52 . 1 . 1 20 20 VAL HG11 H 1 0.439 0.004 . . . . . . A 20 VAL HG11 . 31011 1 53 . 1 . 1 20 20 VAL HG12 H 1 0.439 0.004 . . . . . . A 20 VAL HG12 . 31011 1 54 . 1 . 1 20 20 VAL HG13 H 1 0.439 0.004 . . . . . . A 20 VAL HG13 . 31011 1 55 . 1 . 1 20 20 VAL HG21 H 1 0.266 0.005 . . . . . . A 20 VAL HG21 . 31011 1 56 . 1 . 1 20 20 VAL HG22 H 1 0.266 0.005 . . . . . . A 20 VAL HG22 . 31011 1 57 . 1 . 1 20 20 VAL HG23 H 1 0.266 0.005 . . . . . . A 20 VAL HG23 . 31011 1 58 . 1 . 1 20 20 VAL CA C 13 59.062 0.041 . 1 . . . . A 20 VAL CA . 31011 1 59 . 1 . 1 20 20 VAL CB C 13 31.273 0.032 . 1 . . . . A 20 VAL CB . 31011 1 60 . 1 . 1 20 20 VAL CG1 C 13 18.711 0.009 . . . . . . A 20 VAL CG1 . 31011 1 61 . 1 . 1 20 20 VAL CG2 C 13 19.548 0.012 . . . . . . A 20 VAL CG2 . 31011 1 62 . 1 . 1 20 20 VAL N N 15 123.414 0.05 . 1 . . . . A 20 VAL N . 31011 1 63 . 1 . 1 21 21 PRO HA H 1 4.337 0.002 . 1 . . . . A 21 PRO HA . 31011 1 64 . 1 . 1 21 21 PRO HB2 H 1 1.84 0.009 . . . . . . A 21 PRO HB2 . 31011 1 65 . 1 . 1 21 21 PRO HB3 H 1 2.006 0.003 . . . . . . A 21 PRO HB3 . 31011 1 66 . 1 . 1 21 21 PRO HG2 H 1 1.894 0.005 . . . . . . A 21 PRO HG2 . 31011 1 67 . 1 . 1 21 21 PRO HG3 H 1 1.688 0.011 . . . . . . A 21 PRO HG3 . 31011 1 68 . 1 . 1 21 21 PRO HD2 H 1 2.74 0.001 . . . . . . A 21 PRO HD2 . 31011 1 69 . 1 . 1 21 21 PRO HD3 H 1 2.654 0.006 . . . . . . A 21 PRO HD3 . 31011 1 70 . 1 . 1 21 21 PRO CA C 13 60.88 0.062 . 1 . . . . A 21 PRO CA . 31011 1 71 . 1 . 1 21 21 PRO CB C 13 29.397 0.031 . 1 . . . . A 21 PRO CB . 31011 1 72 . 1 . 1 21 21 PRO CG C 13 26.394 0.01 . 1 . . . . A 21 PRO CG . 31011 1 73 . 1 . 1 21 21 PRO CD C 13 48.274 0 . 1 . . . . A 21 PRO CD . 31011 1 74 . 1 . 1 22 22 TRP H H 1 8.587 0.002 . 1 . . . . A 22 TRP H . 31011 1 75 . 1 . 1 22 22 TRP HA H 1 3.587 0.004 . 1 . . . . A 22 TRP HA . 31011 1 76 . 1 . 1 22 22 TRP HB2 H 1 3.1 0.003 . . . . . . A 22 TRP HB2 . 31011 1 77 . 1 . 1 22 22 TRP HB3 H 1 2.951 0.005 . . . . . . A 22 TRP HB3 . 31011 1 78 . 1 . 1 22 22 TRP HD1 H 1 6.919 0.004 . 1 . . . . A 22 TRP HD1 . 31011 1 79 . 1 . 1 22 22 TRP HE1 H 1 10.025 0.004 . 1 . . . . A 22 TRP HE1 . 31011 1 80 . 1 . 1 22 22 TRP HE3 H 1 7.37 0.002 . 1 . . . . A 22 TRP HE3 . 31011 1 81 . 1 . 1 22 22 TRP HZ2 H 1 7.02 0.005 . 1 . . . . A 22 TRP HZ2 . 31011 1 82 . 1 . 1 22 22 TRP HZ3 H 1 6.79 0.004 . 1 . . . . A 22 TRP HZ3 . 31011 1 83 . 1 . 1 22 22 TRP HH2 H 1 6.774 0.006 . 1 . . . . A 22 TRP HH2 . 31011 1 84 . 1 . 1 22 22 TRP CA C 13 58.061 0.04 . 1 . . . . A 22 TRP CA . 31011 1 85 . 1 . 1 22 22 TRP CB C 13 28.26 0.044 . 1 . . . . A 22 TRP CB . 31011 1 86 . 1 . 1 22 22 TRP CD1 C 13 127.82 0 . 1 . . . . A 22 TRP CD1 . 31011 1 87 . 1 . 1 22 22 TRP CZ2 C 13 115.259 0 . 1 . . . . A 22 TRP CZ2 . 31011 1 88 . 1 . 1 22 22 TRP CH2 C 13 124.501 0 . 1 . . . . A 22 TRP CH2 . 31011 1 89 . 1 . 1 22 22 TRP N N 15 128.269 0.011 . 1 . . . . A 22 TRP N . 31011 1 90 . 1 . 1 22 22 TRP NE1 N 15 129.922 0 . 1 . . . . A 22 TRP NE1 . 31011 1 91 . 1 . 1 24 24 ASP HA H 1 4.842 0.007 . 1 . . . . A 24 ASP HA . 31011 1 92 . 1 . 1 24 24 ASP HB2 H 1 3.002 0.003 . . . . . . A 24 ASP HB2 . 31011 1 93 . 1 . 1 24 24 ASP HB3 H 1 2.808 0.006 . . . . . . A 24 ASP HB3 . 31011 1 94 . 1 . 1 24 24 ASP C C 13 175.392 0 . 1 . . . . A 24 ASP C . 31011 1 95 . 1 . 1 24 24 ASP CA C 13 54.971 0.008 . 1 . . . . A 24 ASP CA . 31011 1 96 . 1 . 1 24 24 ASP CB C 13 39.543 0.025 . 1 . . . . A 24 ASP CB . 31011 1 97 . 1 . 1 25 25 SER H H 1 8.118 0.009 . 1 . . . . A 25 SER H . 31011 1 98 . 1 . 1 25 25 SER CA C 13 55.717 0 . 1 . . . . A 25 SER CA . 31011 1 99 . 1 . 1 25 25 SER CB C 13 64.501 0 . 1 . . . . A 25 SER CB . 31011 1 100 . 1 . 1 25 25 SER N N 15 114.827 0.045 . 1 . . . . A 25 SER N . 31011 1 101 . 1 . 1 26 26 LEU HA H 1 4.624 0.008 . 1 . . . . A 26 LEU HA . 31011 1 102 . 1 . 1 26 26 LEU HB2 H 1 1.533 0.005 . . . . . . A 26 LEU HB2 . 31011 1 103 . 1 . 1 26 26 LEU HB3 H 1 1.466 0.01 . . . . . . A 26 LEU HB3 . 31011 1 104 . 1 . 1 26 26 LEU HG H 1 1.487 0.003 . 1 . . . . A 26 LEU HG . 31011 1 105 . 1 . 1 26 26 LEU HD11 H 1 0.897 0.003 . . . . . . A 26 LEU HD11 . 31011 1 106 . 1 . 1 26 26 LEU HD12 H 1 0.897 0.003 . . . . . . A 26 LEU HD12 . 31011 1 107 . 1 . 1 26 26 LEU HD13 H 1 0.897 0.003 . . . . . . A 26 LEU HD13 . 31011 1 108 . 1 . 1 26 26 LEU HD21 H 1 0.788 0.004 . . . . . . A 26 LEU HD21 . 31011 1 109 . 1 . 1 26 26 LEU HD22 H 1 0.788 0.004 . . . . . . A 26 LEU HD22 . 31011 1 110 . 1 . 1 26 26 LEU HD23 H 1 0.788 0.004 . . . . . . A 26 LEU HD23 . 31011 1 111 . 1 . 1 26 26 LEU CA C 13 54.421 0.03 . 1 . . . . A 26 LEU CA . 31011 1 112 . 1 . 1 26 26 LEU CB C 13 41.868 0.032 . 1 . . . . A 26 LEU CB . 31011 1 113 . 1 . 1 26 26 LEU CG C 13 26.013 0.016 . 1 . . . . A 26 LEU CG . 31011 1 114 . 1 . 1 26 26 LEU CD1 C 13 23.535 0 . . . . . . A 26 LEU CD1 . 31011 1 115 . 1 . 1 26 26 LEU CD2 C 13 24.624 0.033 . . . . . . A 26 LEU CD2 . 31011 1 116 . 1 . 1 26 26 LEU N N 15 116.88 0.013 . 1 . . . . A 26 LEU N . 31011 1 117 . 1 . 1 27 27 THR H H 1 9.443 0.002 . 1 . . . . A 27 THR H . 31011 1 118 . 1 . 1 27 27 THR HA H 1 4.667 0.003 . 1 . . . . A 27 THR HA . 31011 1 119 . 1 . 1 27 27 THR HB H 1 4.691 0.007 . 1 . . . . A 27 THR HB . 31011 1 120 . 1 . 1 27 27 THR HG21 H 1 1.14 0.002 . 1 . . . . A 27 THR HG21 . 31011 1 121 . 1 . 1 27 27 THR HG22 H 1 1.14 0.002 . 1 . . . . A 27 THR HG22 . 31011 1 122 . 1 . 1 27 27 THR HG23 H 1 1.14 0.002 . 1 . . . . A 27 THR HG23 . 31011 1 123 . 1 . 1 27 27 THR CA C 13 58.752 0.057 . 1 . . . . A 27 THR CA . 31011 1 124 . 1 . 1 27 27 THR CB C 13 71.59 0.427 . 1 . . . . A 27 THR CB . 31011 1 125 . 1 . 1 28 28 ALA HA H 1 4.238 0.006 . 1 . . . . A 28 ALA HA . 31011 1 126 . 1 . 1 28 28 ALA HB1 H 1 1.505 0.007 . 1 . . . . A 28 ALA HB1 . 31011 1 127 . 1 . 1 28 28 ALA HB2 H 1 1.505 0.007 . 1 . . . . A 28 ALA HB2 . 31011 1 128 . 1 . 1 28 28 ALA HB3 H 1 1.505 0.007 . 1 . . . . A 28 ALA HB3 . 31011 1 129 . 1 . 1 28 28 ALA C C 13 180.122 0 . 1 . . . . A 28 ALA C . 31011 1 130 . 1 . 1 28 28 ALA CA C 13 54.223 0.036 . 1 . . . . A 28 ALA CA . 31011 1 131 . 1 . 1 28 28 ALA CB C 13 16.925 0.061 . 1 . . . . A 28 ALA CB . 31011 1 132 . 1 . 1 29 29 TYR H H 1 8.089 0.005 . 1 . . . . A 29 TYR H . 31011 1 133 . 1 . 1 29 29 TYR HA H 1 4.125 0.002 . 1 . . . . A 29 TYR HA . 31011 1 134 . 1 . 1 29 29 TYR HB2 H 1 3.216 0.006 . . . . . . A 29 TYR HB2 . 31011 1 135 . 1 . 1 29 29 TYR HB3 H 1 3.025 0.011 . . . . . . A 29 TYR HB3 . 31011 1 136 . 1 . 1 29 29 TYR HD1 H 1 7.104 0.005 . . . . . . A 29 TYR HD1 . 31011 1 137 . 1 . 1 29 29 TYR HD2 H 1 7.104 0.005 . . . . . . A 29 TYR HD2 . 31011 1 138 . 1 . 1 29 29 TYR HE1 H 1 6.668 0.011 . . . . . . A 29 TYR HE1 . 31011 1 139 . 1 . 1 29 29 TYR CA C 13 61.555 0.017 . 1 . . . . A 29 TYR CA . 31011 1 140 . 1 . 1 29 29 TYR CB C 13 37.063 0.041 . 1 . . . . A 29 TYR CB . 31011 1 141 . 1 . 1 29 29 TYR CD1 C 13 134.677 0 . . . . . . A 29 TYR CD1 . 31011 1 142 . 1 . 1 29 29 TYR N N 15 120.03 0.057 . 1 . . . . A 29 TYR N . 31011 1 143 . 1 . 1 31 31 ASN HA H 1 4.283 0.006 . 1 . . . . A 31 ASN HA . 31011 1 144 . 1 . 1 31 31 ASN HB2 H 1 2.831 0.017 . . . . . . A 31 ASN HB2 . 31011 1 145 . 1 . 1 31 31 ASN HB3 H 1 2.795 0.01 . . . . . . A 31 ASN HB3 . 31011 1 146 . 1 . 1 31 31 ASN HD21 H 1 6.627 0.005 . . . . . . A 31 ASN HD21 . 31011 1 147 . 1 . 1 31 31 ASN HD22 H 1 7.341 0.003 . . . . . . A 31 ASN HD22 . 31011 1 148 . 1 . 1 31 31 ASN C C 13 177.858 0 . 1 . . . . A 31 ASN C . 31011 1 149 . 1 . 1 31 31 ASN CA C 13 55.441 0.001 . 1 . . . . A 31 ASN CA . 31011 1 150 . 1 . 1 31 31 ASN CB C 13 38.003 0.006 . 1 . . . . A 31 ASN CB . 31011 1 151 . 1 . 1 31 31 ASN ND2 N 15 111.143 0.002 . 1 . . . . A 31 ASN ND2 . 31011 1 152 . 1 . 1 32 32 GLU H H 1 7.917 0.008 . 1 . . . . A 32 GLU H . 31011 1 153 . 1 . 1 32 32 GLU HA H 1 3.974 0.008 . 1 . . . . A 32 GLU HA . 31011 1 154 . 1 . 1 32 32 GLU HB2 H 1 1.789 0.012 . . . . . . A 32 GLU HB2 . 31011 1 155 . 1 . 1 32 32 GLU HB3 H 1 1.51 0.011 . . . . . . A 32 GLU HB3 . 31011 1 156 . 1 . 1 32 32 GLU HG2 H 1 2.048 0.003 . . . . . . A 32 GLU HG2 . 31011 1 157 . 1 . 1 32 32 GLU HG3 H 1 1.779 0.002 . . . . . . A 32 GLU HG3 . 31011 1 158 . 1 . 1 32 32 GLU C C 13 177.527 0 . 1 . . . . A 32 GLU C . 31011 1 159 . 1 . 1 32 32 GLU CA C 13 56.841 0.015 . 1 . . . . A 32 GLU CA . 31011 1 160 . 1 . 1 32 32 GLU CB C 13 28.82 0.038 . 1 . . . . A 32 GLU CB . 31011 1 161 . 1 . 1 32 32 GLU CG C 13 34.821 0.043 . 1 . . . . A 32 GLU CG . 31011 1 162 . 1 . 1 32 32 GLU N N 15 117.624 0.056 . 1 . . . . A 32 GLU N . 31011 1 163 . 1 . 1 33 33 HIS H H 1 7.651 0.001 . 1 . . . . A 33 HIS H . 31011 1 164 . 1 . 1 33 33 HIS HA H 1 4.621 0.013 . 1 . . . . A 33 HIS HA . 31011 1 165 . 1 . 1 33 33 HIS HB2 H 1 2.937 0.008 . . . . . . A 33 HIS HB2 . 31011 1 166 . 1 . 1 33 33 HIS HB3 H 1 2.228 0.006 . . . . . . A 33 HIS HB3 . 31011 1 167 . 1 . 1 33 33 HIS C C 13 173.939 0 . 1 . . . . A 33 HIS C . 31011 1 168 . 1 . 1 33 33 HIS CA C 13 55.736 0.042 . 1 . . . . A 33 HIS CA . 31011 1 169 . 1 . 1 33 33 HIS CB C 13 27.023 0.053 . 1 . . . . A 33 HIS CB . 31011 1 170 . 1 . 1 33 33 HIS N N 15 113.794 0.042 . 1 . . . . A 33 HIS N . 31011 1 171 . 1 . 1 34 34 PHE H H 1 7.215 0.005 . 1 . . . . A 34 PHE H . 31011 1 172 . 1 . 1 34 34 PHE HA H 1 4.035 0.003 . 1 . . . . A 34 PHE HA . 31011 1 173 . 1 . 1 34 34 PHE HB2 H 1 3.247 0.003 . . . . . . A 34 PHE HB2 . 31011 1 174 . 1 . 1 34 34 PHE HB3 H 1 2.968 0.004 . . . . . . A 34 PHE HB3 . 31011 1 175 . 1 . 1 34 34 PHE HD1 H 1 7.188 0.001 . . . . . . A 34 PHE HD1 . 31011 1 176 . 1 . 1 34 34 PHE HD2 H 1 7.188 0.001 . . . . . . A 34 PHE HD2 . 31011 1 177 . 1 . 1 34 34 PHE HE1 H 1 7.076 0.008 . . . . . . A 34 PHE HE1 . 31011 1 178 . 1 . 1 34 34 PHE HE2 H 1 7.076 0.008 . . . . . . A 34 PHE HE2 . 31011 1 179 . 1 . 1 34 34 PHE HZ H 1 7.247 0.002 . 1 . . . . A 34 PHE HZ . 31011 1 180 . 1 . 1 34 34 PHE CA C 13 61.525 0.101 . 1 . . . . A 34 PHE CA . 31011 1 181 . 1 . 1 34 34 PHE CB C 13 38.162 0.063 . 1 . . . . A 34 PHE CB . 31011 1 182 . 1 . 1 34 34 PHE CE1 C 13 132.217 0 . . . . . . A 34 PHE CE1 . 31011 1 183 . 1 . 1 34 34 PHE N N 15 123.273 0.099 . 1 . . . . A 34 PHE N . 31011 1 184 . 1 . 1 35 35 THR HA H 1 3.809 0.007 . 1 . . . . A 35 THR HA . 31011 1 185 . 1 . 1 35 35 THR HB H 1 4.157 0.003 . 1 . . . . A 35 THR HB . 31011 1 186 . 1 . 1 35 35 THR HG21 H 1 1.264 0.008 . 1 . . . . A 35 THR HG21 . 31011 1 187 . 1 . 1 35 35 THR HG22 H 1 1.264 0.008 . 1 . . . . A 35 THR HG22 . 31011 1 188 . 1 . 1 35 35 THR HG23 H 1 1.264 0.008 . 1 . . . . A 35 THR HG23 . 31011 1 189 . 1 . 1 35 35 THR C C 13 177.127 0 . 1 . . . . A 35 THR C . 31011 1 190 . 1 . 1 35 35 THR CA C 13 64.916 0.083 . 1 . . . . A 35 THR CA . 31011 1 191 . 1 . 1 35 35 THR CB C 13 67.192 0.062 . 1 . . . . A 35 THR CB . 31011 1 192 . 1 . 1 35 35 THR CG2 C 13 21.031 0.052 . 1 . . . . A 35 THR CG2 . 31011 1 193 . 1 . 1 36 36 ILE H H 1 7.158 0.006 . 1 . . . . A 36 ILE H . 31011 1 194 . 1 . 1 36 36 ILE HA H 1 3.599 0.003 . 1 . . . . A 36 ILE HA . 31011 1 195 . 1 . 1 36 36 ILE HB H 1 2.142 0.006 . 1 . . . . A 36 ILE HB . 31011 1 196 . 1 . 1 36 36 ILE HG12 H 1 1.544 0.006 . . . . . . A 36 ILE HG12 . 31011 1 197 . 1 . 1 36 36 ILE HG13 H 1 1.265 0.003 . . . . . . A 36 ILE HG13 . 31011 1 198 . 1 . 1 36 36 ILE HG21 H 1 0.747 0.008 . 1 . . . . A 36 ILE HG21 . 31011 1 199 . 1 . 1 36 36 ILE HG22 H 1 0.747 0.008 . 1 . . . . A 36 ILE HG22 . 31011 1 200 . 1 . 1 36 36 ILE HG23 H 1 0.747 0.008 . 1 . . . . A 36 ILE HG23 . 31011 1 201 . 1 . 1 36 36 ILE HD11 H 1 0.79 0.005 . 1 . . . . A 36 ILE HD11 . 31011 1 202 . 1 . 1 36 36 ILE HD12 H 1 0.79 0.005 . 1 . . . . A 36 ILE HD12 . 31011 1 203 . 1 . 1 36 36 ILE HD13 H 1 0.79 0.005 . 1 . . . . A 36 ILE HD13 . 31011 1 204 . 1 . 1 36 36 ILE C C 13 177.666 0 . 1 . . . . A 36 ILE C . 31011 1 205 . 1 . 1 36 36 ILE CA C 13 63.307 0.024 . 1 . . . . A 36 ILE CA . 31011 1 206 . 1 . 1 36 36 ILE CB C 13 35.647 0.04 . 1 . . . . A 36 ILE CB . 31011 1 207 . 1 . 1 36 36 ILE CG1 C 13 28 0.027 . 1 . . . . A 36 ILE CG1 . 31011 1 208 . 1 . 1 36 36 ILE CG2 C 13 16.407 0.092 . 1 . . . . A 36 ILE CG2 . 31011 1 209 . 1 . 1 36 36 ILE CD1 C 13 11.308 0 . 1 . . . . A 36 ILE CD1 . 31011 1 210 . 1 . 1 36 36 ILE N N 15 122.775 0.079 . 1 . . . . A 36 ILE N . 31011 1 211 . 1 . 1 37 37 TYR H H 1 7.818 0.013 . 1 . . . . A 37 TYR H . 31011 1 212 . 1 . 1 37 37 TYR HA H 1 4.432 0.005 . 1 . . . . A 37 TYR HA . 31011 1 213 . 1 . 1 37 37 TYR HB2 H 1 3.444 0.004 . . . . . . A 37 TYR HB2 . 31011 1 214 . 1 . 1 37 37 TYR HB3 H 1 3.023 0.009 . . . . . . A 37 TYR HB3 . 31011 1 215 . 1 . 1 37 37 TYR HD1 H 1 7.07 0.001 . . . . . . A 37 TYR HD1 . 31011 1 216 . 1 . 1 37 37 TYR HD2 H 1 7.07 0.001 . . . . . . A 37 TYR HD2 . 31011 1 217 . 1 . 1 37 37 TYR HE1 H 1 6.949 0 . . . . . . A 37 TYR HE1 . 31011 1 218 . 1 . 1 37 37 TYR HE2 H 1 6.949 0 . . . . . . A 37 TYR HE2 . 31011 1 219 . 1 . 1 37 37 TYR C C 13 178.06 0 . 1 . . . . A 37 TYR C . 31011 1 220 . 1 . 1 37 37 TYR CA C 13 57.443 0.068 . 1 . . . . A 37 TYR CA . 31011 1 221 . 1 . 1 37 37 TYR CB C 13 35.367 0.018 . 1 . . . . A 37 TYR CB . 31011 1 222 . 1 . 1 37 37 TYR N N 15 118.352 0.04 . 1 . . . . A 37 TYR N . 31011 1 223 . 1 . 1 38 38 MET H H 1 7.982 0.012 . 1 . . . . A 38 MET H . 31011 1 224 . 1 . 1 38 38 MET C C 13 178.827 0 . 1 . . . . A 38 MET C . 31011 1 225 . 1 . 1 38 38 MET CA C 13 56.721 0.051 . 1 . . . . A 38 MET CA . 31011 1 226 . 1 . 1 38 38 MET CB C 13 31.995 0 . 1 . . . . A 38 MET CB . 31011 1 227 . 1 . 1 38 38 MET N N 15 115.469 0.041 . 1 . . . . A 38 MET N . 31011 1 228 . 1 . 1 39 39 ARG H H 1 8.266 0.004 . 1 . . . . A 39 ARG H . 31011 1 229 . 1 . 1 39 39 ARG C C 13 180.483 0 . 1 . . . . A 39 ARG C . 31011 1 230 . 1 . 1 39 39 ARG CA C 13 58.145 0.05 . 1 . . . . A 39 ARG CA . 31011 1 231 . 1 . 1 39 39 ARG CB C 13 30.223 0.007 . 1 . . . . A 39 ARG CB . 31011 1 232 . 1 . 1 39 39 ARG N N 15 119.039 0.055 . 1 . . . . A 39 ARG N . 31011 1 233 . 1 . 1 40 40 LEU H H 1 8.554 0.009 . 1 . . . . A 40 LEU H . 31011 1 234 . 1 . 1 40 40 LEU HA H 1 4.15 0.004 . 1 . . . . A 40 LEU HA . 31011 1 235 . 1 . 1 40 40 LEU HB2 H 1 2.184 0.009 . . . . . . A 40 LEU HB2 . 31011 1 236 . 1 . 1 40 40 LEU HB3 H 1 1.574 0.008 . . . . . . A 40 LEU HB3 . 31011 1 237 . 1 . 1 40 40 LEU HG H 1 2.079 0.002 . 1 . . . . A 40 LEU HG . 31011 1 238 . 1 . 1 40 40 LEU HD11 H 1 0.974 0.003 . . . . . . A 40 LEU HD11 . 31011 1 239 . 1 . 1 40 40 LEU HD12 H 1 0.974 0.003 . . . . . . A 40 LEU HD12 . 31011 1 240 . 1 . 1 40 40 LEU HD13 H 1 0.974 0.003 . . . . . . A 40 LEU HD13 . 31011 1 241 . 1 . 1 40 40 LEU HD21 H 1 0.89 0.001 . . . . . . A 40 LEU HD21 . 31011 1 242 . 1 . 1 40 40 LEU HD22 H 1 0.89 0.001 . . . . . . A 40 LEU HD22 . 31011 1 243 . 1 . 1 40 40 LEU HD23 H 1 0.89 0.001 . . . . . . A 40 LEU HD23 . 31011 1 244 . 1 . 1 40 40 LEU C C 13 178.757 0 . 1 . . . . A 40 LEU C . 31011 1 245 . 1 . 1 40 40 LEU CA C 13 56.915 0.021 . 1 . . . . A 40 LEU CA . 31011 1 246 . 1 . 1 40 40 LEU CB C 13 40.521 0.044 . 1 . . . . A 40 LEU CB . 31011 1 247 . 1 . 1 40 40 LEU CG C 13 25.481 0.029 . 1 . . . . A 40 LEU CG . 31011 1 248 . 1 . 1 40 40 LEU CD1 C 13 27.362 0.022 . . . . . . A 40 LEU CD1 . 31011 1 249 . 1 . 1 40 40 LEU CD2 C 13 22.761 0 . . . . . . A 40 LEU CD2 . 31011 1 250 . 1 . 1 40 40 LEU N N 15 120.94 0.022 . 1 . . . . A 40 LEU N . 31011 1 251 . 1 . 1 41 41 LEU H H 1 8.036 0.005 . 1 . . . . A 41 LEU H . 31011 1 252 . 1 . 1 41 41 LEU HA H 1 4.006 0.005 . 1 . . . . A 41 LEU HA . 31011 1 253 . 1 . 1 41 41 LEU HB2 H 1 2.054 0.005 . . . . . . A 41 LEU HB2 . 31011 1 254 . 1 . 1 41 41 LEU HB3 H 1 1.506 0.003 . . . . . . A 41 LEU HB3 . 31011 1 255 . 1 . 1 41 41 LEU HG H 1 1.855 0.001 . 1 . . . . A 41 LEU HG . 31011 1 256 . 1 . 1 41 41 LEU HD11 H 1 0.822 0.003 . . . . . . A 41 LEU HD11 . 31011 1 257 . 1 . 1 41 41 LEU HD12 H 1 0.822 0.003 . . . . . . A 41 LEU HD12 . 31011 1 258 . 1 . 1 41 41 LEU HD13 H 1 0.822 0.003 . . . . . . A 41 LEU HD13 . 31011 1 259 . 1 . 1 41 41 LEU HD21 H 1 0.801 0.008 . . . . . . A 41 LEU HD21 . 31011 1 260 . 1 . 1 41 41 LEU HD22 H 1 0.801 0.008 . . . . . . A 41 LEU HD22 . 31011 1 261 . 1 . 1 41 41 LEU HD23 H 1 0.801 0.008 . . . . . . A 41 LEU HD23 . 31011 1 262 . 1 . 1 41 41 LEU C C 13 180.496 0 . 1 . . . . A 41 LEU C . 31011 1 263 . 1 . 1 41 41 LEU CA C 13 57.357 0.061 . 1 . . . . A 41 LEU CA . 31011 1 264 . 1 . 1 41 41 LEU CB C 13 39.964 0.044 . 1 . . . . A 41 LEU CB . 31011 1 265 . 1 . 1 41 41 LEU CG C 13 25.213 0.044 . 1 . . . . A 41 LEU CG . 31011 1 266 . 1 . 1 41 41 LEU CD1 C 13 24.859 0.028 . . . . . . A 41 LEU CD1 . 31011 1 267 . 1 . 1 41 41 LEU CD2 C 13 21.11 0.059 . . . . . . A 41 LEU CD2 . 31011 1 268 . 1 . 1 41 41 LEU N N 15 120.505 0.02 . 1 . . . . A 41 LEU N . 31011 1 269 . 1 . 1 42 42 ASP H H 1 8.055 0.005 . 1 . . . . A 42 ASP H . 31011 1 270 . 1 . 1 42 42 ASP HA H 1 4.239 0.006 . 1 . . . . A 42 ASP HA . 31011 1 271 . 1 . 1 42 42 ASP HB2 H 1 2.73 0.006 . . . . . . A 42 ASP HB2 . 31011 1 272 . 1 . 1 42 42 ASP HB3 H 1 2.586 0.005 . . . . . . A 42 ASP HB3 . 31011 1 273 . 1 . 1 42 42 ASP C C 13 178.125 0 . 1 . . . . A 42 ASP C . 31011 1 274 . 1 . 1 42 42 ASP CA C 13 56.078 0.109 . 1 . . . . A 42 ASP CA . 31011 1 275 . 1 . 1 42 42 ASP CB C 13 39.595 0 . 1 . . . . A 42 ASP CB . 31011 1 276 . 1 . 1 42 42 ASP N N 15 120.772 0.052 . 1 . . . . A 42 ASP N . 31011 1 277 . 1 . 1 43 43 ALA H H 1 8.133 0.002 . 1 . . . . A 43 ALA H . 31011 1 278 . 1 . 1 43 43 ALA HA H 1 4.237 0.006 . 1 . . . . A 43 ALA HA . 31011 1 279 . 1 . 1 43 43 ALA HB1 H 1 1.428 0.005 . 1 . . . . A 43 ALA HB1 . 31011 1 280 . 1 . 1 43 43 ALA HB2 H 1 1.428 0.005 . 1 . . . . A 43 ALA HB2 . 31011 1 281 . 1 . 1 43 43 ALA HB3 H 1 1.428 0.005 . 1 . . . . A 43 ALA HB3 . 31011 1 282 . 1 . 1 43 43 ALA C C 13 180.08 0 . 1 . . . . A 43 ALA C . 31011 1 283 . 1 . 1 43 43 ALA CA C 13 53.944 0.054 . 1 . . . . A 43 ALA CA . 31011 1 284 . 1 . 1 43 43 ALA CB C 13 16.376 0.014 . 1 . . . . A 43 ALA CB . 31011 1 285 . 1 . 1 43 43 ALA N N 15 122.232 0.154 . 1 . . . . A 43 ALA N . 31011 1 286 . 1 . 1 44 44 SER H H 1 8.644 0.002 . 1 . . . . A 44 SER H . 31011 1 287 . 1 . 1 44 44 SER HA H 1 4.221 0.003 . 1 . . . . A 44 SER HA . 31011 1 288 . 1 . 1 44 44 SER HB2 H 1 4.063 0.006 . . . . . . A 44 SER HB2 . 31011 1 289 . 1 . 1 44 44 SER HB3 H 1 4.063 0.006 . . . . . . A 44 SER HB3 . 31011 1 290 . 1 . 1 44 44 SER C C 13 178.818 0 . 1 . . . . A 44 SER C . 31011 1 291 . 1 . 1 44 44 SER CA C 13 60.309 0.065 . 1 . . . . A 44 SER CA . 31011 1 292 . 1 . 1 44 44 SER CB C 13 62.235 0.049 . 1 . . . . A 44 SER CB . 31011 1 293 . 1 . 1 44 44 SER N N 15 114.392 0.01 . 1 . . . . A 44 SER N . 31011 1 294 . 1 . 1 45 45 ALA H H 1 7.898 0.004 . 1 . . . . A 45 ALA H . 31011 1 295 . 1 . 1 45 45 ALA HA H 1 4.283 0.005 . 1 . . . . A 45 ALA HA . 31011 1 296 . 1 . 1 45 45 ALA HB1 H 1 1.587 0.007 . 1 . . . . A 45 ALA HB1 . 31011 1 297 . 1 . 1 45 45 ALA HB2 H 1 1.587 0.007 . 1 . . . . A 45 ALA HB2 . 31011 1 298 . 1 . 1 45 45 ALA HB3 H 1 1.587 0.007 . 1 . . . . A 45 ALA HB3 . 31011 1 299 . 1 . 1 45 45 ALA C C 13 178.194 0 . 1 . . . . A 45 ALA C . 31011 1 300 . 1 . 1 45 45 ALA CA C 13 53.516 0.038 . 1 . . . . A 45 ALA CA . 31011 1 301 . 1 . 1 45 45 ALA CB C 13 16.898 0.039 . 1 . . . . A 45 ALA CB . 31011 1 302 . 1 . 1 45 45 ALA N N 15 124.744 0.045 . 1 . . . . A 45 ALA N . 31011 1 303 . 1 . 1 46 46 ASP H H 1 7.396 0.006 . 1 . . . . A 46 ASP H . 31011 1 304 . 1 . 1 46 46 ASP HA H 1 4.844 0.004 . 1 . . . . A 46 ASP HA . 31011 1 305 . 1 . 1 46 46 ASP HB2 H 1 2.937 0.005 . . . . . . A 46 ASP HB2 . 31011 1 306 . 1 . 1 46 46 ASP HB3 H 1 2.608 0.007 . . . . . . A 46 ASP HB3 . 31011 1 307 . 1 . 1 46 46 ASP C C 13 175.442 0 . 1 . . . . A 46 ASP C . 31011 1 308 . 1 . 1 46 46 ASP CA C 13 52.902 0.095 . 1 . . . . A 46 ASP CA . 31011 1 309 . 1 . 1 46 46 ASP CB C 13 39.995 0.041 . 1 . . . . A 46 ASP CB . 31011 1 310 . 1 . 1 46 46 ASP N N 15 118.118 0.015 . 1 . . . . A 46 ASP N . 31011 1 311 . 1 . 1 47 47 ASP H H 1 8.051 0.004 . 1 . . . . A 47 ASP H . 31011 1 312 . 1 . 1 47 47 ASP HA H 1 4.404 0.005 . 1 . . . . A 47 ASP HA . 31011 1 313 . 1 . 1 47 47 ASP HB2 H 1 3.049 0.011 . . . . . . A 47 ASP HB2 . 31011 1 314 . 1 . 1 47 47 ASP HB3 H 1 2.673 0.005 . . . . . . A 47 ASP HB3 . 31011 1 315 . 1 . 1 47 47 ASP C C 13 175.455 0 . 1 . . . . A 47 ASP C . 31011 1 316 . 1 . 1 47 47 ASP CA C 13 54.548 0.065 . 1 . . . . A 47 ASP CA . 31011 1 317 . 1 . 1 47 47 ASP CB C 13 38.226 0.035 . 1 . . . . A 47 ASP CB . 31011 1 318 . 1 . 1 47 47 ASP N N 15 115.856 0.119 . 1 . . . . A 47 ASP N . 31011 1 319 . 1 . 1 48 48 ALA H H 1 7.814 0.007 . 1 . . . . A 48 ALA H . 31011 1 320 . 1 . 1 48 48 ALA HA H 1 4.316 0.007 . 1 . . . . A 48 ALA HA . 31011 1 321 . 1 . 1 48 48 ALA HB1 H 1 1.301 0.008 . 1 . . . . A 48 ALA HB1 . 31011 1 322 . 1 . 1 48 48 ALA HB2 H 1 1.301 0.008 . 1 . . . . A 48 ALA HB2 . 31011 1 323 . 1 . 1 48 48 ALA HB3 H 1 1.301 0.008 . 1 . . . . A 48 ALA HB3 . 31011 1 324 . 1 . 1 48 48 ALA C C 13 177.553 0 . 1 . . . . A 48 ALA C . 31011 1 325 . 1 . 1 48 48 ALA CA C 13 51.688 0.046 . 1 . . . . A 48 ALA CA . 31011 1 326 . 1 . 1 48 48 ALA CB C 13 18.861 0.078 . 1 . . . . A 48 ALA CB . 31011 1 327 . 1 . 1 48 48 ALA N N 15 120.383 0.049 . 1 . . . . A 48 ALA N . 31011 1 328 . 1 . 1 49 49 SER H H 1 8.791 0.018 . 1 . . . . A 49 SER H . 31011 1 329 . 1 . 1 49 49 SER HA H 1 4.522 0.007 . 1 . . . . A 49 SER HA . 31011 1 330 . 1 . 1 49 49 SER HB2 H 1 4.443 0.007 . . . . . . A 49 SER HB2 . 31011 1 331 . 1 . 1 49 49 SER HB3 H 1 4.068 0.002 . . . . . . A 49 SER HB3 . 31011 1 332 . 1 . 1 49 49 SER C C 13 175.63 0 . 1 . . . . A 49 SER C . 31011 1 333 . 1 . 1 49 49 SER CA C 13 56.055 0.044 . 1 . . . . A 49 SER CA . 31011 1 334 . 1 . 1 49 49 SER CB C 13 64.448 0.101 . 1 . . . . A 49 SER CB . 31011 1 335 . 1 . 1 49 49 SER N N 15 117.228 0.045 . 1 . . . . A 49 SER N . 31011 1 336 . 1 . 1 50 50 GLU H H 1 9.08 0.004 . 1 . . . . A 50 GLU H . 31011 1 337 . 1 . 1 50 50 GLU HA H 1 4.015 0.006 . 1 . . . . A 50 GLU HA . 31011 1 338 . 1 . 1 50 50 GLU HB2 H 1 2.126 0.003 . . . . . . A 50 GLU HB2 . 31011 1 339 . 1 . 1 50 50 GLU HB3 H 1 2.018 0.008 . . . . . . A 50 GLU HB3 . 31011 1 340 . 1 . 1 50 50 GLU HG2 H 1 2.478 0.004 . . . . . . A 50 GLU HG2 . 31011 1 341 . 1 . 1 50 50 GLU HG3 H 1 2.227 0.007 . . . . . . A 50 GLU HG3 . 31011 1 342 . 1 . 1 50 50 GLU C C 13 178.655 0 . 1 . . . . A 50 GLU C . 31011 1 343 . 1 . 1 50 50 GLU CA C 13 59.718 0.122 . 1 . . . . A 50 GLU CA . 31011 1 344 . 1 . 1 50 50 GLU CB C 13 28.713 0.022 . 1 . . . . A 50 GLU CB . 31011 1 345 . 1 . 1 50 50 GLU CG C 13 36.119 0.033 . 1 . . . . A 50 GLU CG . 31011 1 346 . 1 . 1 50 50 GLU N N 15 121.687 0.02 . 1 . . . . A 50 GLU N . 31011 1 347 . 1 . 1 51 51 ASP H H 1 8.349 0.003 . 1 . . . . A 51 ASP H . 31011 1 348 . 1 . 1 51 51 ASP HA H 1 4.258 0.003 . 1 . . . . A 51 ASP HA . 31011 1 349 . 1 . 1 51 51 ASP HB2 H 1 2.563 0.006 . . . . . . A 51 ASP HB2 . 31011 1 350 . 1 . 1 51 51 ASP HB3 H 1 2.563 0.006 . . . . . . A 51 ASP HB3 . 31011 1 351 . 1 . 1 51 51 ASP C C 13 178.603 0 . 1 . . . . A 51 ASP C . 31011 1 352 . 1 . 1 51 51 ASP CA C 13 56.541 0.059 . 1 . . . . A 51 ASP CA . 31011 1 353 . 1 . 1 51 51 ASP CB C 13 38.918 0.11 . 1 . . . . A 51 ASP CB . 31011 1 354 . 1 . 1 51 51 ASP N N 15 119.178 0.022 . 1 . . . . A 51 ASP N . 31011 1 355 . 1 . 1 52 52 GLU H H 1 7.849 0.003 . 1 . . . . A 52 GLU H . 31011 1 356 . 1 . 1 52 52 GLU HA H 1 4.074 0.006 . 1 . . . . A 52 GLU HA . 31011 1 357 . 1 . 1 52 52 GLU HB2 H 1 2.326 0.004 . . . . . . A 52 GLU HB2 . 31011 1 358 . 1 . 1 52 52 GLU HB3 H 1 1.997 0.005 . . . . . . A 52 GLU HB3 . 31011 1 359 . 1 . 1 52 52 GLU HG2 H 1 2.281 0.013 . . . . . . A 52 GLU HG2 . 31011 1 360 . 1 . 1 52 52 GLU HG3 H 1 2.281 0.013 . . . . . . A 52 GLU HG3 . 31011 1 361 . 1 . 1 52 52 GLU C C 13 179.362 0 . 1 . . . . A 52 GLU C . 31011 1 362 . 1 . 1 52 52 GLU CA C 13 58.487 0.156 . 1 . . . . A 52 GLU CA . 31011 1 363 . 1 . 1 52 52 GLU CB C 13 28.694 0.043 . 1 . . . . A 52 GLU CB . 31011 1 364 . 1 . 1 52 52 GLU CG C 13 36.481 0.134 . 1 . . . . A 52 GLU CG . 31011 1 365 . 1 . 1 52 52 GLU N N 15 121.181 0.029 . 1 . . . . A 52 GLU N . 31011 1 366 . 1 . 1 53 53 MET H H 1 8.445 0.004 . 1 . . . . A 53 MET H . 31011 1 367 . 1 . 1 53 53 MET HA H 1 3.785 0.008 . 1 . . . . A 53 MET HA . 31011 1 368 . 1 . 1 53 53 MET HB2 H 1 2.354 0.009 . . . . . . A 53 MET HB2 . 31011 1 369 . 1 . 1 53 53 MET HB3 H 1 1.684 0.006 . . . . . . A 53 MET HB3 . 31011 1 370 . 1 . 1 53 53 MET HG2 H 1 2.776 0.003 . . . . . . A 53 MET HG2 . 31011 1 371 . 1 . 1 53 53 MET HG3 H 1 2.128 0.005 . . . . . . A 53 MET HG3 . 31011 1 372 . 1 . 1 53 53 MET HE1 H 1 1.993 0 . 1 . . . . A 53 MET HE1 . 31011 1 373 . 1 . 1 53 53 MET HE2 H 1 1.993 0 . 1 . . . . A 53 MET HE2 . 31011 1 374 . 1 . 1 53 53 MET HE3 H 1 1.993 0 . 1 . . . . A 53 MET HE3 . 31011 1 375 . 1 . 1 53 53 MET C C 13 178.642 0 . 1 . . . . A 53 MET C . 31011 1 376 . 1 . 1 53 53 MET CA C 13 59.724 0.054 . 1 . . . . A 53 MET CA . 31011 1 377 . 1 . 1 53 53 MET CB C 13 32.982 0.041 . 1 . . . . A 53 MET CB . 31011 1 378 . 1 . 1 53 53 MET CG C 13 33.05 0.102 . 1 . . . . A 53 MET CG . 31011 1 379 . 1 . 1 53 53 MET CE C 13 16.44 0 . 1 . . . . A 53 MET CE . 31011 1 380 . 1 . 1 53 53 MET N N 15 118.226 0.033 . 1 . . . . A 53 MET N . 31011 1 381 . 1 . 1 54 54 ALA H H 1 8.512 0.002 . 1 . . . . A 54 ALA H . 31011 1 382 . 1 . 1 54 54 ALA HA H 1 3.69 0.005 . 1 . . . . A 54 ALA HA . 31011 1 383 . 1 . 1 54 54 ALA HB1 H 1 1.537 0.003 . 1 . . . . A 54 ALA HB1 . 31011 1 384 . 1 . 1 54 54 ALA HB2 H 1 1.537 0.003 . 1 . . . . A 54 ALA HB2 . 31011 1 385 . 1 . 1 54 54 ALA HB3 H 1 1.537 0.003 . 1 . . . . A 54 ALA HB3 . 31011 1 386 . 1 . 1 54 54 ALA C C 13 178.412 0 . 1 . . . . A 54 ALA C . 31011 1 387 . 1 . 1 54 54 ALA CA C 13 54.841 0.075 . 1 . . . . A 54 ALA CA . 31011 1 388 . 1 . 1 54 54 ALA CB C 13 17.347 0.084 . 1 . . . . A 54 ALA CB . 31011 1 389 . 1 . 1 54 54 ALA N N 15 121.946 0.014 . 1 . . . . A 54 ALA N . 31011 1 390 . 1 . 1 55 55 GLN H H 1 7.854 0.004 . 1 . . . . A 55 GLN H . 31011 1 391 . 1 . 1 55 55 GLN HA H 1 4.192 0.007 . 1 . . . . A 55 GLN HA . 31011 1 392 . 1 . 1 55 55 GLN HB2 H 1 2.082 0.006 . . . . . . A 55 GLN HB2 . 31011 1 393 . 1 . 1 55 55 GLN HB3 H 1 2.082 0.006 . . . . . . A 55 GLN HB3 . 31011 1 394 . 1 . 1 55 55 GLN HG2 H 1 2.31 0.005 . . . . . . A 55 GLN HG2 . 31011 1 395 . 1 . 1 55 55 GLN HG3 H 1 2.31 0.005 . . . . . . A 55 GLN HG3 . 31011 1 396 . 1 . 1 55 55 GLN HE21 H 1 7.334 0.003 . . . . . . A 55 GLN HE21 . 31011 1 397 . 1 . 1 55 55 GLN HE22 H 1 6.725 0.007 . . . . . . A 55 GLN HE22 . 31011 1 398 . 1 . 1 55 55 GLN C C 13 178.499 0 . 1 . . . . A 55 GLN C . 31011 1 399 . 1 . 1 55 55 GLN CA C 13 57.951 0.097 . 1 . . . . A 55 GLN CA . 31011 1 400 . 1 . 1 55 55 GLN CB C 13 29.196 0.093 . 1 . . . . A 55 GLN CB . 31011 1 401 . 1 . 1 55 55 GLN N N 15 116.583 0.014 . 1 . . . . A 55 GLN N . 31011 1 402 . 1 . 1 55 55 GLN NE2 N 15 110.89 0.007 . 1 . . . . A 55 GLN NE2 . 31011 1 403 . 1 . 1 56 56 LEU H H 1 8.776 0.002 . 1 . . . . A 56 LEU H . 31011 1 404 . 1 . 1 56 56 LEU HA H 1 4.174 0.006 . 1 . . . . A 56 LEU HA . 31011 1 405 . 1 . 1 56 56 LEU HB2 H 1 1.843 0.008 . . . . . . A 56 LEU HB2 . 31011 1 406 . 1 . 1 56 56 LEU HB3 H 1 1.506 0.009 . . . . . . A 56 LEU HB3 . 31011 1 407 . 1 . 1 56 56 LEU HG H 1 1.753 0.01 . 1 . . . . A 56 LEU HG . 31011 1 408 . 1 . 1 56 56 LEU HD11 H 1 0.907 0.004 . . . . . . A 56 LEU HD11 . 31011 1 409 . 1 . 1 56 56 LEU HD12 H 1 0.907 0.004 . . . . . . A 56 LEU HD12 . 31011 1 410 . 1 . 1 56 56 LEU HD13 H 1 0.907 0.004 . . . . . . A 56 LEU HD13 . 31011 1 411 . 1 . 1 56 56 LEU HD21 H 1 0.846 0.01 . . . . . . A 56 LEU HD21 . 31011 1 412 . 1 . 1 56 56 LEU HD22 H 1 0.846 0.01 . . . . . . A 56 LEU HD22 . 31011 1 413 . 1 . 1 56 56 LEU HD23 H 1 0.846 0.01 . . . . . . A 56 LEU HD23 . 31011 1 414 . 1 . 1 56 56 LEU C C 13 178.277 0 . 1 . . . . A 56 LEU C . 31011 1 415 . 1 . 1 56 56 LEU CA C 13 56.057 0.092 . 1 . . . . A 56 LEU CA . 31011 1 416 . 1 . 1 56 56 LEU CB C 13 41.434 0.048 . 1 . . . . A 56 LEU CB . 31011 1 417 . 1 . 1 56 56 LEU CG C 13 25.986 0.044 . 1 . . . . A 56 LEU CG . 31011 1 418 . 1 . 1 56 56 LEU CD1 C 13 23.509 0.03 . . . . . . A 56 LEU CD1 . 31011 1 419 . 1 . 1 56 56 LEU CD2 C 13 21.821 0.083 . . . . . . A 56 LEU CD2 . 31011 1 420 . 1 . 1 56 56 LEU N N 15 116.387 0.096 . 1 . . . . A 56 LEU N . 31011 1 421 . 1 . 1 57 57 VAL H H 1 7.725 0.014 . 1 . . . . A 57 VAL H . 31011 1 422 . 1 . 1 57 57 VAL HA H 1 4.132 0.012 . 1 . . . . A 57 VAL HA . 31011 1 423 . 1 . 1 57 57 VAL HB H 1 2.332 0.008 . 1 . . . . A 57 VAL HB . 31011 1 424 . 1 . 1 57 57 VAL HG11 H 1 0.907 0.004 . . . . . . A 57 VAL HG11 . 31011 1 425 . 1 . 1 57 57 VAL HG12 H 1 0.907 0.004 . . . . . . A 57 VAL HG12 . 31011 1 426 . 1 . 1 57 57 VAL HG13 H 1 0.907 0.004 . . . . . . A 57 VAL HG13 . 31011 1 427 . 1 . 1 57 57 VAL HG21 H 1 0.845 0.004 . . . . . . A 57 VAL HG21 . 31011 1 428 . 1 . 1 57 57 VAL HG22 H 1 0.845 0.004 . . . . . . A 57 VAL HG22 . 31011 1 429 . 1 . 1 57 57 VAL HG23 H 1 0.845 0.004 . . . . . . A 57 VAL HG23 . 31011 1 430 . 1 . 1 57 57 VAL C C 13 176.561 0 . 1 . . . . A 57 VAL C . 31011 1 431 . 1 . 1 57 57 VAL CA C 13 62.976 0.034 . 1 . . . . A 57 VAL CA . 31011 1 432 . 1 . 1 57 57 VAL CB C 13 30.95 0.137 . 1 . . . . A 57 VAL CB . 31011 1 433 . 1 . 1 57 57 VAL CG1 C 13 22.625 0.106 . . . . . . A 57 VAL CG1 . 31011 1 434 . 1 . 1 57 57 VAL CG2 C 13 20.427 0.013 . . . . . . A 57 VAL CG2 . 31011 1 435 . 1 . 1 57 57 VAL N N 15 114.998 0.058 . 1 . . . . A 57 VAL N . 31011 1 436 . 1 . 1 58 58 LEU H H 1 7.102 0.005 . 1 . . . . A 58 LEU H . 31011 1 437 . 1 . 1 58 58 LEU HA H 1 4.253 0.003 . 1 . . . . A 58 LEU HA . 31011 1 438 . 1 . 1 58 58 LEU HB2 H 1 2.2 0.007 . . . . . . A 58 LEU HB2 . 31011 1 439 . 1 . 1 58 58 LEU HB3 H 1 1.433 0.008 . . . . . . A 58 LEU HB3 . 31011 1 440 . 1 . 1 58 58 LEU HG H 1 1.491 0.009 . 1 . . . . A 58 LEU HG . 31011 1 441 . 1 . 1 58 58 LEU HD11 H 1 0.672 0.005 . . . . . . A 58 LEU HD11 . 31011 1 442 . 1 . 1 58 58 LEU HD12 H 1 0.672 0.005 . . . . . . A 58 LEU HD12 . 31011 1 443 . 1 . 1 58 58 LEU HD13 H 1 0.672 0.005 . . . . . . A 58 LEU HD13 . 31011 1 444 . 1 . 1 58 58 LEU HD21 H 1 0.474 0.004 . . . . . . A 58 LEU HD21 . 31011 1 445 . 1 . 1 58 58 LEU HD22 H 1 0.474 0.004 . . . . . . A 58 LEU HD22 . 31011 1 446 . 1 . 1 58 58 LEU HD23 H 1 0.474 0.004 . . . . . . A 58 LEU HD23 . 31011 1 447 . 1 . 1 58 58 LEU C C 13 176.733 0 . 1 . . . . A 58 LEU C . 31011 1 448 . 1 . 1 58 58 LEU CA C 13 54.292 0.077 . 1 . . . . A 58 LEU CA . 31011 1 449 . 1 . 1 58 58 LEU CB C 13 40.487 0.082 . 1 . . . . A 58 LEU CB . 31011 1 450 . 1 . 1 58 58 LEU CG C 13 25.858 0.032 . 1 . . . . A 58 LEU CG . 31011 1 451 . 1 . 1 58 58 LEU CD1 C 13 26.146 0.055 . . . . . . A 58 LEU CD1 . 31011 1 452 . 1 . 1 58 58 LEU CD2 C 13 22.129 0.09 . . . . . . A 58 LEU CD2 . 31011 1 453 . 1 . 1 58 58 LEU N N 15 113.823 0.043 . 1 . . . . A 58 LEU N . 31011 1 454 . 1 . 1 59 59 GLY H H 1 7.299 0.003 . 1 . . . . A 59 GLY H . 31011 1 455 . 1 . 1 59 59 GLY HA2 H 1 3.88 0.019 . . . . . . A 59 GLY HA2 . 31011 1 456 . 1 . 1 59 59 GLY HA3 H 1 3.88 0.019 . . . . . . A 59 GLY HA3 . 31011 1 457 . 1 . 1 59 59 GLY C C 13 174.36 0 . 1 . . . . A 59 GLY C . 31011 1 458 . 1 . 1 59 59 GLY CA C 13 45.674 0.046 . 1 . . . . A 59 GLY CA . 31011 1 459 . 1 . 1 59 59 GLY N N 15 107.186 0.033 . 1 . . . . A 59 GLY N . 31011 1 460 . 1 . 1 60 60 ILE H H 1 7.963 0.002 . 1 . . . . A 60 ILE H . 31011 1 461 . 1 . 1 60 60 ILE HA H 1 4.013 0.002 . 1 . . . . A 60 ILE HA . 31011 1 462 . 1 . 1 60 60 ILE HB H 1 1.171 0.004 . 1 . . . . A 60 ILE HB . 31011 1 463 . 1 . 1 60 60 ILE HG12 H 1 1.365 0.035 . . . . . . A 60 ILE HG12 . 31011 1 464 . 1 . 1 60 60 ILE HG13 H 1 0.69 0.004 . . . . . . A 60 ILE HG13 . 31011 1 465 . 1 . 1 60 60 ILE HG21 H 1 0.62 0.002 . 1 . . . . A 60 ILE HG21 . 31011 1 466 . 1 . 1 60 60 ILE HG22 H 1 0.62 0.002 . 1 . . . . A 60 ILE HG22 . 31011 1 467 . 1 . 1 60 60 ILE HG23 H 1 0.62 0.002 . 1 . . . . A 60 ILE HG23 . 31011 1 468 . 1 . 1 60 60 ILE HD11 H 1 0.665 0.028 . 1 . . . . A 60 ILE HD11 . 31011 1 469 . 1 . 1 60 60 ILE HD12 H 1 0.665 0.028 . 1 . . . . A 60 ILE HD12 . 31011 1 470 . 1 . 1 60 60 ILE HD13 H 1 0.665 0.028 . 1 . . . . A 60 ILE HD13 . 31011 1 471 . 1 . 1 60 60 ILE C C 13 173.275 0 . 1 . . . . A 60 ILE C . 31011 1 472 . 1 . 1 60 60 ILE CA C 13 59.242 0.059 . 1 . . . . A 60 ILE CA . 31011 1 473 . 1 . 1 60 60 ILE CB C 13 40.31 0.034 . 1 . . . . A 60 ILE CB . 31011 1 474 . 1 . 1 60 60 ILE CG1 C 13 25.842 0 . 1 . . . . A 60 ILE CG1 . 31011 1 475 . 1 . 1 60 60 ILE CG2 C 13 16.212 0.059 . 1 . . . . A 60 ILE CG2 . 31011 1 476 . 1 . 1 60 60 ILE CD1 C 13 13.539 0.011 . 1 . . . . A 60 ILE CD1 . 31011 1 477 . 1 . 1 60 60 ILE N N 15 122.722 0.019 . 1 . . . . A 60 ILE N . 31011 1 478 . 1 . 1 61 61 ASP H H 1 8.543 0.005 . 1 . . . . A 61 ASP H . 31011 1 479 . 1 . 1 61 61 ASP HA H 1 4.719 0.004 . 1 . . . . A 61 ASP HA . 31011 1 480 . 1 . 1 61 61 ASP HB2 H 1 2.979 0.003 . . . . . . A 61 ASP HB2 . 31011 1 481 . 1 . 1 61 61 ASP HB3 H 1 2.596 0.005 . . . . . . A 61 ASP HB3 . 31011 1 482 . 1 . 1 61 61 ASP CA C 13 49.979 0.112 . 1 . . . . A 61 ASP CA . 31011 1 483 . 1 . 1 61 61 ASP CB C 13 40.75 0.075 . 1 . . . . A 61 ASP CB . 31011 1 484 . 1 . 1 61 61 ASP N N 15 125.339 0.036 . 1 . . . . A 61 ASP N . 31011 1 485 . 1 . 1 62 62 PRO HA H 1 4.029 0.004 . 1 . . . . A 62 PRO HA . 31011 1 486 . 1 . 1 62 62 PRO HB2 H 1 2.022 0.002 . . . . . . A 62 PRO HB2 . 31011 1 487 . 1 . 1 62 62 PRO HB3 H 1 1.903 0.004 . . . . . . A 62 PRO HB3 . 31011 1 488 . 1 . 1 62 62 PRO HG2 H 1 2.155 0.005 . . . . . . A 62 PRO HG2 . 31011 1 489 . 1 . 1 62 62 PRO HG3 H 1 1.96 0.006 . . . . . . A 62 PRO HG3 . 31011 1 490 . 1 . 1 62 62 PRO HD2 H 1 4.461 0.006 . . . . . . A 62 PRO HD2 . 31011 1 491 . 1 . 1 62 62 PRO HD3 H 1 3.926 0.003 . . . . . . A 62 PRO HD3 . 31011 1 492 . 1 . 1 62 62 PRO C C 13 176.858 0 . 1 . . . . A 62 PRO C . 31011 1 493 . 1 . 1 62 62 PRO CA C 13 62.766 0.014 . 1 . . . . A 62 PRO CA . 31011 1 494 . 1 . 1 62 62 PRO CB C 13 30.779 0.042 . 1 . . . . A 62 PRO CB . 31011 1 495 . 1 . 1 62 62 PRO CG C 13 25.577 0.036 . 1 . . . . A 62 PRO CG . 31011 1 496 . 1 . 1 62 62 PRO CD C 13 49.617 0.063 . 1 . . . . A 62 PRO CD . 31011 1 497 . 1 . 1 63 63 MET H H 1 8.227 0.001 . 1 . . . . A 63 MET H . 31011 1 498 . 1 . 1 63 63 MET HA H 1 4.354 0.005 . 1 . . . . A 63 MET HA . 31011 1 499 . 1 . 1 63 63 MET HB2 H 1 2.212 0.005 . . . . . . A 63 MET HB2 . 31011 1 500 . 1 . 1 63 63 MET HB3 H 1 2.051 0.01 . . . . . . A 63 MET HB3 . 31011 1 501 . 1 . 1 63 63 MET HG2 H 1 2.66 0.005 . . . . . . A 63 MET HG2 . 31011 1 502 . 1 . 1 63 63 MET HG3 H 1 2.48 0.01 . . . . . . A 63 MET HG3 . 31011 1 503 . 1 . 1 63 63 MET C C 13 178.058 0 . 1 . . . . A 63 MET C . 31011 1 504 . 1 . 1 63 63 MET CA C 13 55.809 0.084 . 1 . . . . A 63 MET CA . 31011 1 505 . 1 . 1 63 63 MET CB C 13 30.838 0.1 . 1 . . . . A 63 MET CB . 31011 1 506 . 1 . 1 63 63 MET CG C 13 31.68 0.105 . 1 . . . . A 63 MET CG . 31011 1 507 . 1 . 1 63 63 MET N N 15 117.116 0.01 . 1 . . . . A 63 MET N . 31011 1 508 . 1 . 1 64 64 ARG H H 1 7.217 0.002 . 1 . . . . A 64 ARG H . 31011 1 509 . 1 . 1 64 64 ARG HA H 1 4.307 0 . 1 . . . . A 64 ARG HA . 31011 1 510 . 1 . 1 64 64 ARG HB2 H 1 1.941 0 . . . . . . A 64 ARG HB2 . 31011 1 511 . 1 . 1 64 64 ARG HB3 H 1 1.722 0 . . . . . . A 64 ARG HB3 . 31011 1 512 . 1 . 1 64 64 ARG C C 13 176.957 0 . 1 . . . . A 64 ARG C . 31011 1 513 . 1 . 1 64 64 ARG CA C 13 56.03 0.014 . 1 . . . . A 64 ARG CA . 31011 1 514 . 1 . 1 64 64 ARG CB C 13 31.209 0.112 . 1 . . . . A 64 ARG CB . 31011 1 515 . 1 . 1 64 64 ARG N N 15 117.69 0.016 . 1 . . . . A 64 ARG N . 31011 1 516 . 1 . 1 65 65 GLU H H 1 8.068 0.003 . 1 . . . . A 65 GLU H . 31011 1 517 . 1 . 1 65 65 GLU CA C 13 52.907 0 . 1 . . . . A 65 GLU CA . 31011 1 518 . 1 . 1 65 65 GLU CB C 13 30.157 0 . 1 . . . . A 65 GLU CB . 31011 1 519 . 1 . 1 65 65 GLU N N 15 116.431 0.041 . 1 . . . . A 65 GLU N . 31011 1 520 . 1 . 1 66 66 PRO HA H 1 4.317 0.004 . 1 . . . . A 66 PRO HA . 31011 1 521 . 1 . 1 66 66 PRO HB2 H 1 2.495 0.004 . . . . . . A 66 PRO HB2 . 31011 1 522 . 1 . 1 66 66 PRO HB3 H 1 1.918 0.005 . . . . . . A 66 PRO HB3 . 31011 1 523 . 1 . 1 66 66 PRO HG2 H 1 2.103 0.004 . . . . . . A 66 PRO HG2 . 31011 1 524 . 1 . 1 66 66 PRO HG3 H 1 2.103 0.004 . . . . . . A 66 PRO HG3 . 31011 1 525 . 1 . 1 66 66 PRO HD2 H 1 3.602 0.003 . . . . . . A 66 PRO HD2 . 31011 1 526 . 1 . 1 66 66 PRO HD3 H 1 3.174 0.003 . . . . . . A 66 PRO HD3 . 31011 1 527 . 1 . 1 66 66 PRO C C 13 179.873 0 . 1 . . . . A 66 PRO C . 31011 1 528 . 1 . 1 66 66 PRO CA C 13 65.045 0.045 . 1 . . . . A 66 PRO CA . 31011 1 529 . 1 . 1 66 66 PRO CB C 13 30.306 0.012 . 1 . . . . A 66 PRO CB . 31011 1 530 . 1 . 1 66 66 PRO CG C 13 26.633 0.064 . 1 . . . . A 66 PRO CG . 31011 1 531 . 1 . 1 66 66 PRO CD C 13 48.751 0.06 . 1 . . . . A 66 PRO CD . 31011 1 532 . 1 . 1 67 67 GLU H H 1 8.006 0.003 . 1 . . . . A 67 GLU H . 31011 1 533 . 1 . 1 67 67 GLU HA H 1 4.062 0.004 . 1 . . . . A 67 GLU HA . 31011 1 534 . 1 . 1 67 67 GLU HB2 H 1 1.98 0.009 . . . . . . A 67 GLU HB2 . 31011 1 535 . 1 . 1 67 67 GLU HB3 H 1 2.07 0.006 . . . . . . A 67 GLU HB3 . 31011 1 536 . 1 . 1 67 67 GLU HG2 H 1 2.269 0.004 . . . . . . A 67 GLU HG2 . 31011 1 537 . 1 . 1 67 67 GLU HG3 H 1 2.37 0.004 . . . . . . A 67 GLU HG3 . 31011 1 538 . 1 . 1 67 67 GLU C C 13 178.999 0 . 1 . . . . A 67 GLU C . 31011 1 539 . 1 . 1 67 67 GLU CA C 13 58.893 0.048 . 1 . . . . A 67 GLU CA . 31011 1 540 . 1 . 1 67 67 GLU CB C 13 27.582 0.028 . 1 . . . . A 67 GLU CB . 31011 1 541 . 1 . 1 67 67 GLU CG C 13 35.782 0.078 . 1 . . . . A 67 GLU CG . 31011 1 542 . 1 . 1 67 67 GLU N N 15 116.56 0.053 . 1 . . . . A 67 GLU N . 31011 1 543 . 1 . 1 68 68 ARG H H 1 8.125 0.003 . 1 . . . . A 68 ARG H . 31011 1 544 . 1 . 1 68 68 ARG HA H 1 3.949 0.004 . 1 . . . . A 68 ARG HA . 31011 1 545 . 1 . 1 68 68 ARG HB2 H 1 1.863 0.002 . . . . . . A 68 ARG HB2 . 31011 1 546 . 1 . 1 68 68 ARG HB3 H 1 1.669 0.011 . . . . . . A 68 ARG HB3 . 31011 1 547 . 1 . 1 68 68 ARG HG2 H 1 1.722 0.011 . . . . . . A 68 ARG HG2 . 31011 1 548 . 1 . 1 68 68 ARG HG3 H 1 1.329 0.005 . . . . . . A 68 ARG HG3 . 31011 1 549 . 1 . 1 68 68 ARG HD2 H 1 3.319 0.005 . . . . . . A 68 ARG HD2 . 31011 1 550 . 1 . 1 68 68 ARG HD3 H 1 3.053 0.004 . . . . . . A 68 ARG HD3 . 31011 1 551 . 1 . 1 68 68 ARG C C 13 178.192 0 . 1 . . . . A 68 ARG C . 31011 1 552 . 1 . 1 68 68 ARG CA C 13 58.226 0.018 . 1 . . . . A 68 ARG CA . 31011 1 553 . 1 . 1 68 68 ARG CB C 13 29.934 0.097 . 1 . . . . A 68 ARG CB . 31011 1 554 . 1 . 1 68 68 ARG CG C 13 26.838 0.067 . 1 . . . . A 68 ARG CG . 31011 1 555 . 1 . 1 68 68 ARG CD C 13 42.593 0.042 . 1 . . . . A 68 ARG CD . 31011 1 556 . 1 . 1 68 68 ARG N N 15 121.326 0.031 . 1 . . . . A 68 ARG N . 31011 1 557 . 1 . 1 69 69 ALA H H 1 8.384 0.002 . 1 . . . . A 69 ALA H . 31011 1 558 . 1 . 1 69 69 ALA HA H 1 3.73 0.005 . 1 . . . . A 69 ALA HA . 31011 1 559 . 1 . 1 69 69 ALA HB1 H 1 1.298 0.003 . 1 . . . . A 69 ALA HB1 . 31011 1 560 . 1 . 1 69 69 ALA HB2 H 1 1.298 0.003 . 1 . . . . A 69 ALA HB2 . 31011 1 561 . 1 . 1 69 69 ALA HB3 H 1 1.298 0.003 . 1 . . . . A 69 ALA HB3 . 31011 1 562 . 1 . 1 69 69 ALA C C 13 178.255 0 . 1 . . . . A 69 ALA C . 31011 1 563 . 1 . 1 69 69 ALA CA C 13 54.852 0.08 . 1 . . . . A 69 ALA CA . 31011 1 564 . 1 . 1 69 69 ALA CB C 13 17.509 0.076 . 1 . . . . A 69 ALA CB . 31011 1 565 . 1 . 1 69 69 ALA N N 15 118.998 0.035 . 1 . . . . A 69 ALA N . 31011 1 566 . 1 . 1 70 70 ARG H H 1 7.673 0.002 . 1 . . . . A 70 ARG H . 31011 1 567 . 1 . 1 70 70 ARG HA H 1 3.892 0.007 . 1 . . . . A 70 ARG HA . 31011 1 568 . 1 . 1 70 70 ARG HB2 H 1 1.913 0.006 . . . . . . A 70 ARG HB2 . 31011 1 569 . 1 . 1 70 70 ARG HB3 H 1 1.844 0.007 . . . . . . A 70 ARG HB3 . 31011 1 570 . 1 . 1 70 70 ARG HG2 H 1 1.64 0.007 . . . . . . A 70 ARG HG2 . 31011 1 571 . 1 . 1 70 70 ARG HG3 H 1 1.64 0.007 . . . . . . A 70 ARG HG3 . 31011 1 572 . 1 . 1 70 70 ARG HD2 H 1 3.205 0.005 . . . . . . A 70 ARG HD2 . 31011 1 573 . 1 . 1 70 70 ARG HD3 H 1 3.15 0.005 . . . . . . A 70 ARG HD3 . 31011 1 574 . 1 . 1 70 70 ARG C C 13 178.779 0 . 1 . . . . A 70 ARG C . 31011 1 575 . 1 . 1 70 70 ARG CA C 13 58.741 0.076 . 1 . . . . A 70 ARG CA . 31011 1 576 . 1 . 1 70 70 ARG CB C 13 29.033 0.018 . 1 . . . . A 70 ARG CB . 31011 1 577 . 1 . 1 70 70 ARG CG C 13 26.102 0.042 . 1 . . . . A 70 ARG CG . 31011 1 578 . 1 . 1 70 70 ARG CD C 13 42.318 0.09 . 1 . . . . A 70 ARG CD . 31011 1 579 . 1 . 1 70 70 ARG N N 15 115.684 0.013 . 1 . . . . A 70 ARG N . 31011 1 580 . 1 . 1 71 71 MET H H 1 8.047 0.002 . 1 . . . . A 71 MET H . 31011 1 581 . 1 . 1 71 71 MET HA H 1 4.168 0.007 . 1 . . . . A 71 MET HA . 31011 1 582 . 1 . 1 71 71 MET HB2 H 1 2.209 0.004 . . . . . . A 71 MET HB2 . 31011 1 583 . 1 . 1 71 71 MET HB3 H 1 2.209 0.004 . . . . . . A 71 MET HB3 . 31011 1 584 . 1 . 1 71 71 MET HG2 H 1 2.655 0.004 . . . . . . A 71 MET HG2 . 31011 1 585 . 1 . 1 71 71 MET HG3 H 1 2.655 0.004 . . . . . . A 71 MET HG3 . 31011 1 586 . 1 . 1 71 71 MET C C 13 178.794 0 . 1 . . . . A 71 MET C . 31011 1 587 . 1 . 1 71 71 MET CA C 13 57.571 0.063 . 1 . . . . A 71 MET CA . 31011 1 588 . 1 . 1 71 71 MET CB C 13 31.752 0.129 . 1 . . . . A 71 MET CB . 31011 1 589 . 1 . 1 71 71 MET CG C 13 30.591 0.103 . 1 . . . . A 71 MET CG . 31011 1 590 . 1 . 1 71 71 MET N N 15 117.894 0.014 . 1 . . . . A 71 MET N . 31011 1 591 . 1 . 1 72 72 ALA H H 1 8.666 0.007 . 1 . . . . A 72 ALA H . 31011 1 592 . 1 . 1 72 72 ALA HA H 1 4.735 0.008 . 1 . . . . A 72 ALA HA . 31011 1 593 . 1 . 1 72 72 ALA HB1 H 1 1.423 0.003 . 1 . . . . A 72 ALA HB1 . 31011 1 594 . 1 . 1 72 72 ALA HB2 H 1 1.423 0.003 . 1 . . . . A 72 ALA HB2 . 31011 1 595 . 1 . 1 72 72 ALA HB3 H 1 1.423 0.003 . 1 . . . . A 72 ALA HB3 . 31011 1 596 . 1 . 1 72 72 ALA C C 13 182.719 0 . 1 . . . . A 72 ALA C . 31011 1 597 . 1 . 1 72 72 ALA CA C 13 54.419 0.078 . 1 . . . . A 72 ALA CA . 31011 1 598 . 1 . 1 72 72 ALA CB C 13 18.114 0.088 . 1 . . . . A 72 ALA CB . 31011 1 599 . 1 . 1 72 72 ALA N N 15 122.253 0.011 . 1 . . . . A 72 ALA N . 31011 1 600 . 1 . 1 73 73 VAL H H 1 8.492 0.002 . 1 . . . . A 73 VAL H . 31011 1 601 . 1 . 1 73 73 VAL HA H 1 3.564 0.003 . 1 . . . . A 73 VAL HA . 31011 1 602 . 1 . 1 73 73 VAL HB H 1 2.247 0.006 . 1 . . . . A 73 VAL HB . 31011 1 603 . 1 . 1 73 73 VAL HG11 H 1 1.184 0.003 . . . . . . A 73 VAL HG11 . 31011 1 604 . 1 . 1 73 73 VAL HG12 H 1 1.184 0.003 . . . . . . A 73 VAL HG12 . 31011 1 605 . 1 . 1 73 73 VAL HG13 H 1 1.184 0.003 . . . . . . A 73 VAL HG13 . 31011 1 606 . 1 . 1 73 73 VAL HG21 H 1 1.122 0.02 . . . . . . A 73 VAL HG21 . 31011 1 607 . 1 . 1 73 73 VAL HG22 H 1 1.122 0.02 . . . . . . A 73 VAL HG22 . 31011 1 608 . 1 . 1 73 73 VAL HG23 H 1 1.122 0.02 . . . . . . A 73 VAL HG23 . 31011 1 609 . 1 . 1 73 73 VAL C C 13 176.753 0 . 1 . . . . A 73 VAL C . 31011 1 610 . 1 . 1 73 73 VAL CA C 13 66.904 0.094 . 1 . . . . A 73 VAL CA . 31011 1 611 . 1 . 1 73 73 VAL CB C 13 30.988 0.102 . 1 . . . . A 73 VAL CB . 31011 1 612 . 1 . 1 73 73 VAL CG1 C 13 23.675 0.134 . . . . . . A 73 VAL CG1 . 31011 1 613 . 1 . 1 73 73 VAL CG2 C 13 21.079 0.136 . . . . . . A 73 VAL CG2 . 31011 1 614 . 1 . 1 73 73 VAL N N 15 121.148 0.013 . 1 . . . . A 73 VAL N . 31011 1 615 . 1 . 1 74 74 ARG H H 1 8.073 0.002 . 1 . . . . A 74 ARG H . 31011 1 616 . 1 . 1 74 74 ARG HA H 1 4.058 0.013 . 1 . . . . A 74 ARG HA . 31011 1 617 . 1 . 1 74 74 ARG HB2 H 1 2.035 0.019 . . . . . . A 74 ARG HB2 . 31011 1 618 . 1 . 1 74 74 ARG HB3 H 1 1.973 0.016 . . . . . . A 74 ARG HB3 . 31011 1 619 . 1 . 1 74 74 ARG C C 13 178.465 0 . 1 . . . . A 74 ARG C . 31011 1 620 . 1 . 1 74 74 ARG CA C 13 58.911 0.151 . 1 . . . . A 74 ARG CA . 31011 1 621 . 1 . 1 74 74 ARG CB C 13 28.85 0.112 . 1 . . . . A 74 ARG CB . 31011 1 622 . 1 . 1 74 74 ARG N N 15 119.079 0.017 . 1 . . . . A 74 ARG N . 31011 1 623 . 1 . 1 75 75 SER H H 1 8.346 0.001 . 1 . . . . A 75 SER H . 31011 1 624 . 1 . 1 75 75 SER HA H 1 4.328 0.002 . 1 . . . . A 75 SER HA . 31011 1 625 . 1 . 1 75 75 SER HB2 H 1 4.028 0.006 . . . . . . A 75 SER HB2 . 31011 1 626 . 1 . 1 75 75 SER HB3 H 1 4.028 0.006 . . . . . . A 75 SER HB3 . 31011 1 627 . 1 . 1 75 75 SER C C 13 178.565 0 . 1 . . . . A 75 SER C . 31011 1 628 . 1 . 1 75 75 SER CA C 13 60.533 0.075 . 1 . . . . A 75 SER CA . 31011 1 629 . 1 . 1 75 75 SER CB C 13 63.362 0.044 . 1 . . . . A 75 SER CB . 31011 1 630 . 1 . 1 75 75 SER N N 15 110.908 0.018 . 1 . . . . A 75 SER N . 31011 1 631 . 1 . 1 76 76 HIS H H 1 8.206 0.007 . 1 . . . . A 76 HIS H . 31011 1 632 . 1 . 1 76 76 HIS HA H 1 4.262 0.011 . 1 . . . . A 76 HIS HA . 31011 1 633 . 1 . 1 76 76 HIS HB2 H 1 3.101 0.008 . . . . . . A 76 HIS HB2 . 31011 1 634 . 1 . 1 76 76 HIS HB3 H 1 3.101 0.008 . . . . . . A 76 HIS HB3 . 31011 1 635 . 1 . 1 76 76 HIS HE1 H 1 8.363 0.004 . 1 . . . . A 76 HIS HE1 . 31011 1 636 . 1 . 1 76 76 HIS C C 13 177.152 0 . 1 . . . . A 76 HIS C . 31011 1 637 . 1 . 1 76 76 HIS CA C 13 61.226 0.073 . 1 . . . . A 76 HIS CA . 31011 1 638 . 1 . 1 76 76 HIS CB C 13 28.278 0.09 . 1 . . . . A 76 HIS CB . 31011 1 639 . 1 . 1 76 76 HIS CE1 C 13 140.53 0 . 1 . . . . A 76 HIS CE1 . 31011 1 640 . 1 . 1 76 76 HIS N N 15 115.61 0.024 . 1 . . . . A 76 HIS N . 31011 1 641 . 1 . 1 77 77 LEU H H 1 9.242 0.004 . 1 . . . . A 77 LEU H . 31011 1 642 . 1 . 1 77 77 LEU HA H 1 4.214 0.009 . 1 . . . . A 77 LEU HA . 31011 1 643 . 1 . 1 77 77 LEU HB2 H 1 1.833 0.011 . . . . . . A 77 LEU HB2 . 31011 1 644 . 1 . 1 77 77 LEU HB3 H 1 1.833 0.011 . . . . . . A 77 LEU HB3 . 31011 1 645 . 1 . 1 77 77 LEU HG H 1 1.748 0.006 . 1 . . . . A 77 LEU HG . 31011 1 646 . 1 . 1 77 77 LEU HD11 H 1 0.944 0.012 . . . . . . A 77 LEU HD11 . 31011 1 647 . 1 . 1 77 77 LEU HD12 H 1 0.944 0.012 . . . . . . A 77 LEU HD12 . 31011 1 648 . 1 . 1 77 77 LEU HD13 H 1 0.944 0.012 . . . . . . A 77 LEU HD13 . 31011 1 649 . 1 . 1 77 77 LEU HD21 H 1 0.929 0.013 . . . . . . A 77 LEU HD21 . 31011 1 650 . 1 . 1 77 77 LEU HD22 H 1 0.929 0.013 . . . . . . A 77 LEU HD22 . 31011 1 651 . 1 . 1 77 77 LEU HD23 H 1 0.929 0.013 . . . . . . A 77 LEU HD23 . 31011 1 652 . 1 . 1 77 77 LEU C C 13 179.115 0 . 1 . . . . A 77 LEU C . 31011 1 653 . 1 . 1 77 77 LEU CA C 13 57.171 0.083 . 1 . . . . A 77 LEU CA . 31011 1 654 . 1 . 1 77 77 LEU CB C 13 41.191 0.126 . 1 . . . . A 77 LEU CB . 31011 1 655 . 1 . 1 77 77 LEU CG C 13 26.623 0.404 . 1 . . . . A 77 LEU CG . 31011 1 656 . 1 . 1 77 77 LEU CD1 C 13 23.72 0.158 . . . . . . A 77 LEU CD1 . 31011 1 657 . 1 . 1 77 77 LEU CD2 C 13 23.966 0.051 . . . . . . A 77 LEU CD2 . 31011 1 658 . 1 . 1 77 77 LEU N N 15 123.477 0.004 . 1 . . . . A 77 LEU N . 31011 1 659 . 1 . 1 78 78 ASP H H 1 8.546 0.01 . 1 . . . . A 78 ASP H . 31011 1 660 . 1 . 1 78 78 ASP HA H 1 4.657 0.006 . 1 . . . . A 78 ASP HA . 31011 1 661 . 1 . 1 78 78 ASP HB2 H 1 3.053 0.004 . . . . . . A 78 ASP HB2 . 31011 1 662 . 1 . 1 78 78 ASP HB3 H 1 2.726 0.007 . . . . . . A 78 ASP HB3 . 31011 1 663 . 1 . 1 78 78 ASP C C 13 180.463 0 . 1 . . . . A 78 ASP C . 31011 1 664 . 1 . 1 78 78 ASP CA C 13 56.59 0.096 . 1 . . . . A 78 ASP CA . 31011 1 665 . 1 . 1 78 78 ASP CB C 13 38.882 0.098 . 1 . . . . A 78 ASP CB . 31011 1 666 . 1 . 1 78 78 ASP N N 15 120.052 0.027 . 1 . . . . A 78 ASP N . 31011 1 667 . 1 . 1 79 79 ARG H H 1 7.894 0.005 . 1 . . . . A 79 ARG H . 31011 1 668 . 1 . 1 79 79 ARG HA H 1 4.109 0.004 . 1 . . . . A 79 ARG HA . 31011 1 669 . 1 . 1 79 79 ARG HB2 H 1 1.881 0.015 . . . . . . A 79 ARG HB2 . 31011 1 670 . 1 . 1 79 79 ARG HB3 H 1 1.738 0.008 . . . . . . A 79 ARG HB3 . 31011 1 671 . 1 . 1 79 79 ARG HG2 H 1 1.949 0.012 . . . . . . A 79 ARG HG2 . 31011 1 672 . 1 . 1 79 79 ARG HG3 H 1 1.288 0.002 . . . . . . A 79 ARG HG3 . 31011 1 673 . 1 . 1 79 79 ARG HD2 H 1 2.373 0.003 . . . . . . A 79 ARG HD2 . 31011 1 674 . 1 . 1 79 79 ARG HD3 H 1 1.79 0 . . . . . . A 79 ARG HD3 . 31011 1 675 . 1 . 1 79 79 ARG C C 13 177.31 0 . 1 . . . . A 79 ARG C . 31011 1 676 . 1 . 1 79 79 ARG CA C 13 56.01 0.029 . 1 . . . . A 79 ARG CA . 31011 1 677 . 1 . 1 79 79 ARG CB C 13 29.405 0.073 . 1 . . . . A 79 ARG CB . 31011 1 678 . 1 . 1 79 79 ARG CG C 13 22.357 0 . 1 . . . . A 79 ARG CG . 31011 1 679 . 1 . 1 79 79 ARG CD C 13 42.044 0 . 1 . . . . A 79 ARG CD . 31011 1 680 . 1 . 1 79 79 ARG N N 15 121.782 0.019 . 1 . . . . A 79 ARG N . 31011 1 681 . 1 . 1 80 80 ALA H H 1 8.533 0.005 . 1 . . . . A 80 ALA H . 31011 1 682 . 1 . 1 80 80 ALA HA H 1 3.63 0.006 . 1 . . . . A 80 ALA HA . 31011 1 683 . 1 . 1 80 80 ALA HB1 H 1 1.634 0.002 . 1 . . . . A 80 ALA HB1 . 31011 1 684 . 1 . 1 80 80 ALA HB2 H 1 1.634 0.002 . 1 . . . . A 80 ALA HB2 . 31011 1 685 . 1 . 1 80 80 ALA HB3 H 1 1.634 0.002 . 1 . . . . A 80 ALA HB3 . 31011 1 686 . 1 . 1 80 80 ALA C C 13 178.99 0 . 1 . . . . A 80 ALA C . 31011 1 687 . 1 . 1 80 80 ALA CA C 13 54.695 0.097 . 1 . . . . A 80 ALA CA . 31011 1 688 . 1 . 1 80 80 ALA CB C 13 17.722 0.095 . 1 . . . . A 80 ALA CB . 31011 1 689 . 1 . 1 80 80 ALA N N 15 123.597 0.024 . 1 . . . . A 80 ALA N . 31011 1 690 . 1 . 1 81 81 ASN H H 1 8.599 0.017 . 1 . . . . A 81 ASN H . 31011 1 691 . 1 . 1 81 81 ASN HA H 1 4.522 0.007 . 1 . . . . A 81 ASN HA . 31011 1 692 . 1 . 1 81 81 ASN HB2 H 1 2.973 0.004 . . . . . . A 81 ASN HB2 . 31011 1 693 . 1 . 1 81 81 ASN HB3 H 1 2.815 0.011 . . . . . . A 81 ASN HB3 . 31011 1 694 . 1 . 1 81 81 ASN HD21 H 1 7.564 0 . . . . . . A 81 ASN HD21 . 31011 1 695 . 1 . 1 81 81 ASN HD22 H 1 6.91 0 . . . . . . A 81 ASN HD22 . 31011 1 696 . 1 . 1 81 81 ASN C C 13 178.23 0 . 1 . . . . A 81 ASN C . 31011 1 697 . 1 . 1 81 81 ASN CA C 13 55.758 0.055 . 1 . . . . A 81 ASN CA . 31011 1 698 . 1 . 1 81 81 ASN CB C 13 37.674 0.084 . 1 . . . . A 81 ASN CB . 31011 1 699 . 1 . 1 81 81 ASN N N 15 115.304 0.04 . 1 . . . . A 81 ASN N . 31011 1 700 . 1 . 1 81 81 ASN ND2 N 15 112.88 0.001 . 1 . . . . A 81 ASN ND2 . 31011 1 701 . 1 . 1 82 82 TRP H H 1 8.279 0.007 . 1 . . . . A 82 TRP H . 31011 1 702 . 1 . 1 82 82 TRP HA H 1 4.414 0.005 . 1 . . . . A 82 TRP HA . 31011 1 703 . 1 . 1 82 82 TRP HB2 H 1 3.856 0.002 . . . . . . A 82 TRP HB2 . 31011 1 704 . 1 . 1 82 82 TRP HB3 H 1 3.638 0.005 . . . . . . A 82 TRP HB3 . 31011 1 705 . 1 . 1 82 82 TRP HD1 H 1 7.554 0.003 . 1 . . . . A 82 TRP HD1 . 31011 1 706 . 1 . 1 82 82 TRP HE1 H 1 10.44 0.008 . 1 . . . . A 82 TRP HE1 . 31011 1 707 . 1 . 1 82 82 TRP HE3 H 1 7.263 0.003 . 1 . . . . A 82 TRP HE3 . 31011 1 708 . 1 . 1 82 82 TRP HZ2 H 1 7.387 0.001 . 1 . . . . A 82 TRP HZ2 . 31011 1 709 . 1 . 1 82 82 TRP HZ3 H 1 6.673 0.004 . 1 . . . . A 82 TRP HZ3 . 31011 1 710 . 1 . 1 82 82 TRP HH2 H 1 6.567 0.002 . 1 . . . . A 82 TRP HH2 . 31011 1 711 . 1 . 1 82 82 TRP C C 13 178.944 0 . 1 . . . . A 82 TRP C . 31011 1 712 . 1 . 1 82 82 TRP CA C 13 60.548 0.097 . 1 . . . . A 82 TRP CA . 31011 1 713 . 1 . 1 82 82 TRP CB C 13 27.778 0.049 . 1 . . . . A 82 TRP CB . 31011 1 714 . 1 . 1 82 82 TRP CD1 C 13 127.665 0 . 1 . . . . A 82 TRP CD1 . 31011 1 715 . 1 . 1 82 82 TRP CE3 C 13 119.311 0.051 . 1 . . . . A 82 TRP CE3 . 31011 1 716 . 1 . 1 82 82 TRP CZ2 C 13 115.085 0 . 1 . . . . A 82 TRP CZ2 . 31011 1 717 . 1 . 1 82 82 TRP CZ3 C 13 122.218 0 . 1 . . . . A 82 TRP CZ3 . 31011 1 718 . 1 . 1 82 82 TRP CH2 C 13 124.613 0 . 1 . . . . A 82 TRP CH2 . 31011 1 719 . 1 . 1 82 82 TRP N N 15 123.433 0.068 . 1 . . . . A 82 TRP N . 31011 1 720 . 1 . 1 82 82 TRP NE1 N 15 130.421 0 . 1 . . . . A 82 TRP NE1 . 31011 1 721 . 1 . 1 83 83 MET H H 1 8.755 0.023 . 1 . . . . A 83 MET H . 31011 1 722 . 1 . 1 83 83 MET N N 15 121.612 0.193 . 1 . . . . A 83 MET N . 31011 1 723 . 1 . 1 84 84 VAL HA H 1 3.741 0.003 . 1 . . . . A 84 VAL HA . 31011 1 724 . 1 . 1 84 84 VAL HB H 1 2.425 0.003 . 1 . . . . A 84 VAL HB . 31011 1 725 . 1 . 1 84 84 VAL HG11 H 1 1.103 0.002 . . . . . . A 84 VAL HG11 . 31011 1 726 . 1 . 1 84 84 VAL HG12 H 1 1.103 0.002 . . . . . . A 84 VAL HG12 . 31011 1 727 . 1 . 1 84 84 VAL HG13 H 1 1.103 0.002 . . . . . . A 84 VAL HG13 . 31011 1 728 . 1 . 1 84 84 VAL HG21 H 1 0.955 0.002 . . . . . . A 84 VAL HG21 . 31011 1 729 . 1 . 1 84 84 VAL HG22 H 1 0.955 0.002 . . . . . . A 84 VAL HG22 . 31011 1 730 . 1 . 1 84 84 VAL HG23 H 1 0.955 0.002 . . . . . . A 84 VAL HG23 . 31011 1 731 . 1 . 1 84 84 VAL CA C 13 64.699 0.03 . 1 . . . . A 84 VAL CA . 31011 1 732 . 1 . 1 84 84 VAL CB C 13 30.774 0.076 . 1 . . . . A 84 VAL CB . 31011 1 733 . 1 . 1 84 84 VAL CG1 C 13 21.344 0.023 . . . . . . A 84 VAL CG1 . 31011 1 734 . 1 . 1 84 84 VAL CG2 C 13 20.304 0.01 . . . . . . A 84 VAL CG2 . 31011 1 735 . 1 . 1 88 88 TYR HA H 1 4.54 0.006 . 1 . . . . A 88 TYR HA . 31011 1 736 . 1 . 1 88 88 TYR HB2 H 1 3.247 0.005 . . . . . . A 88 TYR HB2 . 31011 1 737 . 1 . 1 88 88 TYR HB3 H 1 2.796 0.003 . . . . . . A 88 TYR HB3 . 31011 1 738 . 1 . 1 88 88 TYR HD1 H 1 6.891 0.01 . . . . . . A 88 TYR HD1 . 31011 1 739 . 1 . 1 88 88 TYR HD2 H 1 6.891 0.01 . . . . . . A 88 TYR HD2 . 31011 1 740 . 1 . 1 88 88 TYR HE1 H 1 6.732 0.006 . . . . . . A 88 TYR HE1 . 31011 1 741 . 1 . 1 88 88 TYR HE2 H 1 6.732 0.006 . . . . . . A 88 TYR HE2 . 31011 1 742 . 1 . 1 88 88 TYR CA C 13 57.883 0.002 . 1 . . . . A 88 TYR CA . 31011 1 743 . 1 . 1 88 88 TYR CB C 13 36.823 0.001 . 1 . . . . A 88 TYR CB . 31011 1 744 . 1 . 1 88 88 TYR CD1 C 13 133.131 0.001 . . . . . . A 88 TYR CD1 . 31011 1 745 . 1 . 1 88 88 TYR CE1 C 13 118.5 0 . . . . . . A 88 TYR CE1 . 31011 1 746 . 1 . 1 90 90 GLU C C 13 177.698 0 . 1 . . . . A 90 GLU C . 31011 1 747 . 1 . 1 91 91 LEU H H 1 7.647 0.003 . 1 . . . . A 91 LEU H . 31011 1 748 . 1 . 1 91 91 LEU HA H 1 4.037 0.003 . 1 . . . . A 91 LEU HA . 31011 1 749 . 1 . 1 91 91 LEU HB2 H 1 1.511 0.001 . . . . . . A 91 LEU HB2 . 31011 1 750 . 1 . 1 91 91 LEU HB3 H 1 1.217 0.001 . . . . . . A 91 LEU HB3 . 31011 1 751 . 1 . 1 91 91 LEU HG H 1 1.512 0.001 . 1 . . . . A 91 LEU HG . 31011 1 752 . 1 . 1 91 91 LEU HD11 H 1 0.817 0.002 . . . . . . A 91 LEU HD11 . 31011 1 753 . 1 . 1 91 91 LEU HD12 H 1 0.817 0.002 . . . . . . A 91 LEU HD12 . 31011 1 754 . 1 . 1 91 91 LEU HD13 H 1 0.817 0.002 . . . . . . A 91 LEU HD13 . 31011 1 755 . 1 . 1 91 91 LEU HD21 H 1 0.716 0.004 . . . . . . A 91 LEU HD21 . 31011 1 756 . 1 . 1 91 91 LEU HD22 H 1 0.716 0.004 . . . . . . A 91 LEU HD22 . 31011 1 757 . 1 . 1 91 91 LEU HD23 H 1 0.716 0.004 . . . . . . A 91 LEU HD23 . 31011 1 758 . 1 . 1 91 91 LEU CA C 13 55.264 0.018 . 1 . . . . A 91 LEU CA . 31011 1 759 . 1 . 1 91 91 LEU CB C 13 40.655 0.02 . 1 . . . . A 91 LEU CB . 31011 1 760 . 1 . 1 91 91 LEU CG C 13 25.938 0.012 . 1 . . . . A 91 LEU CG . 31011 1 761 . 1 . 1 91 91 LEU CD1 C 13 24.035 0.062 . . . . . . A 91 LEU CD1 . 31011 1 762 . 1 . 1 91 91 LEU CD2 C 13 22.178 0.002 . . . . . . A 91 LEU CD2 . 31011 1 763 . 1 . 1 91 91 LEU N N 15 118.886 0.2 . 1 . . . . A 91 LEU N . 31011 1 764 . 1 . 1 92 92 PHE HA H 1 4.446 0.03 . 1 . . . . A 92 PHE HA . 31011 1 765 . 1 . 1 92 92 PHE HB2 H 1 2.921 0.004 . . . . . . A 92 PHE HB2 . 31011 1 766 . 1 . 1 92 92 PHE HB3 H 1 2.637 0.005 . . . . . . A 92 PHE HB3 . 31011 1 767 . 1 . 1 92 92 PHE C C 13 175.215 0 . 1 . . . . A 92 PHE C . 31011 1 768 . 1 . 1 92 92 PHE CA C 13 56.339 0.056 . 1 . . . . A 92 PHE CA . 31011 1 769 . 1 . 1 92 92 PHE CB C 13 38.448 0.059 . 1 . . . . A 92 PHE CB . 31011 1 770 . 1 . 1 93 93 ALA H H 1 7.704 0.012 . 1 . . . . A 93 ALA H . 31011 1 771 . 1 . 1 93 93 ALA HA H 1 4.363 0.008 . 1 . . . . A 93 ALA HA . 31011 1 772 . 1 . 1 93 93 ALA HB1 H 1 1.419 0.004 . 1 . . . . A 93 ALA HB1 . 31011 1 773 . 1 . 1 93 93 ALA HB2 H 1 1.419 0.004 . 1 . . . . A 93 ALA HB2 . 31011 1 774 . 1 . 1 93 93 ALA HB3 H 1 1.419 0.004 . 1 . . . . A 93 ALA HB3 . 31011 1 775 . 1 . 1 93 93 ALA C C 13 176.432 0 . 1 . . . . A 93 ALA C . 31011 1 776 . 1 . 1 93 93 ALA CA C 13 51.576 0.061 . 1 . . . . A 93 ALA CA . 31011 1 777 . 1 . 1 93 93 ALA CB C 13 18.094 0.08 . 1 . . . . A 93 ALA CB . 31011 1 778 . 1 . 1 93 93 ALA N N 15 124.133 0.096 . 1 . . . . A 93 ALA N . 31011 1 779 . 1 . 1 94 94 ARG H H 1 7.802 0.007 . 1 . . . . A 94 ARG H . 31011 1 780 . 1 . 1 94 94 ARG CA C 13 56.449 0 . 1 . . . . A 94 ARG CA . 31011 1 781 . 1 . 1 94 94 ARG CB C 13 30.596 0 . 1 . . . . A 94 ARG CB . 31011 1 782 . 1 . 1 94 94 ARG N N 15 125.659 0.033 . 1 . . . . A 94 ARG N . 31011 1 stop_ save_