################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19010 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_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/HMQC' 1 $TitinA59-A60 isotropic 19010 1 3 '3D HNCA' 1 $TitinA59-A60 isotropic 19010 1 4 '3D HNCACB' 1 $TitinA59-A60 isotropic 19010 1 5 (H[N[co[{CA|ca[C]}]]]) 1 $TitinA59-A60 isotropic 19010 1 6 (H[N[ca[CO]]]) 1 $TitinA59-A60 isotropic 19010 1 8 '3D HN(CO)CA' 1 $TitinA59-A60 isotropic 19010 1 10 (H[N[co[{CA|ca[C]}]]]) 1 $TitinA59-A60 isotropic 19010 1 11 '3D HNCO' 1 $TitinA59-A60 isotropic 19010 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' . . . 19010 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 14 14 LEU H H 1 7.998 0.015 . 1 . 6 . . -6 LEU H . 19010 1 2 . 1 1 14 14 LEU CA C 13 55.355 0.012 . 1 . 3 . . -6 LEU CA . 19010 1 3 . 1 1 14 14 LEU CB C 13 42.202 0.20 . 1 . 5 . . -6 LEU CB . 19010 1 4 . 1 1 14 14 LEU N N 15 122.583 0.06 . 1 . 9 . . -6 LEU N . 19010 1 5 . 1 1 15 15 VAL H H 1 8.028 0.017 . 1 . 17 . . -5 VAL H . 19010 1 6 . 1 1 15 15 VAL C C 13 174.967 0.050 . 1 . 10 . . -5 VAL C . 19010 1 7 . 1 1 15 15 VAL CA C 13 60.121 0.080 . 1 . 13 . . -5 VAL CA . 19010 1 8 . 1 1 15 15 VAL CB C 13 32.506 0.20 . 1 . 14 . . -5 VAL CB . 19010 1 9 . 1 1 15 15 VAL N N 15 123.359 0.102 . 1 . 18 . . -5 VAL N . 19010 1 10 . 1 1 25 25 PRO C C 13 174.945 0.050 . 1 . 19 . . 5 PRO C . 19010 1 11 . 1 1 25 25 PRO CA C 13 62.527 0.001 . 1 . 20 . . 5 PRO CA . 19010 1 12 . 1 1 25 25 PRO CB C 13 32.152 0.20 . 1 . 21 . . 5 PRO CB . 19010 1 13 . 1 1 26 26 ASN H H 1 9.356 0.004 . 1 . 27 . . 6 ASN H . 19010 1 14 . 1 1 26 26 ASN C C 13 174.723 0.050 . 1 . 22 . . 6 ASN C . 19010 1 15 . 1 1 26 26 ASN CA C 13 52.904 0.011 . 1 . 25 . . 6 ASN CA . 19010 1 16 . 1 1 26 26 ASN CB C 13 40.337 0.20 . 1 . 26 . . 6 ASN CB . 19010 1 17 . 1 1 26 26 ASN N N 15 118.672 0.02 . 1 . 28 . . 6 ASN N . 19010 1 18 . 1 1 27 27 ILE H H 1 8.765 0.018 . 1 . 32 . . 7 ILE H . 19010 1 19 . 1 1 27 27 ILE C C 13 177.365 0.050 . 1 . 29 . . 7 ILE C . 19010 1 20 . 1 1 27 27 ILE CA C 13 61.728 0.080 . 1 . 30 . . 7 ILE CA . 19010 1 21 . 1 1 27 27 ILE CB C 13 37.097 0.20 . 1 . 31 . . 7 ILE CB . 19010 1 22 . 1 1 27 27 ILE N N 15 124.482 0.124 . 1 . 33 . . 7 ILE N . 19010 1 23 . 1 1 28 28 VAL H H 1 8.805 0.006 . 1 . 39 . . 8 VAL H . 19010 1 24 . 1 1 28 28 VAL C C 13 176.088 0.050 . 1 . 34 . . 8 VAL C . 19010 1 25 . 1 1 28 28 VAL CA C 13 62.595 0.032 . 1 . 37 . . 8 VAL CA . 19010 1 26 . 1 1 28 28 VAL CB C 13 32.568 0.20 . 1 . 38 . . 8 VAL CB . 19010 1 27 . 1 1 28 28 VAL N N 15 124.902 0.029 . 1 . 40 . . 8 VAL N . 19010 1 28 . 1 1 29 29 ASP H H 1 7.514 0.014 . 1 . 44 . . 9 ASP H . 19010 1 29 . 1 1 29 29 ASP C C 13 173.902 0.050 . 1 . 41 . . 9 ASP C . 19010 1 30 . 1 1 29 29 ASP CA C 13 55.324 0.042 . 1 . 42 . . 9 ASP CA . 19010 1 31 . 1 1 29 29 ASP CB C 13 44.453 0.20 . 1 . 43 . . 9 ASP CB . 19010 1 32 . 1 1 29 29 ASP N N 15 119.739 0.083 . 1 . 45 . . 9 ASP N . 19010 1 33 . 1 1 30 30 VAL H H 1 8.020 0.016 . 1 . 52 . . 10 VAL H . 19010 1 34 . 1 1 30 30 VAL C C 13 174.202 0.050 . 1 . 46 . . 10 VAL C . 19010 1 35 . 1 1 30 30 VAL CA C 13 62.932 0.080 . 1 . 51 . . 10 VAL CA . 19010 1 36 . 1 1 30 30 VAL N N 15 125.350 0.127 . 1 . 53 . . 10 VAL N . 19010 1 37 . 1 1 31 31 ARG H H 1 8.948 0.005 . 1 . 59 . . 11 ARG H . 19010 1 38 . 1 1 31 31 ARG C C 13 176.225 0.050 . 1 . 54 . . 11 ARG C . 19010 1 39 . 1 1 31 31 ARG CA C 13 53.623 0.031 . 1 . 55 . . 11 ARG CA . 19010 1 40 . 1 1 31 31 ARG CB C 13 33.715 0.20 . 1 . 56 . . 11 ARG CB . 19010 1 41 . 1 1 31 31 ARG N N 15 126.002 0.165 . 1 . 60 . . 11 ARG N . 19010 1 42 . 1 1 32 32 HIS H H 1 8.638 0.005 . 1 . 64 . . 12 HIS H . 19010 1 43 . 1 1 32 32 HIS C C 13 172.975 0.050 . 1 . 61 . . 12 HIS C . 19010 1 44 . 1 1 32 32 HIS CA C 13 57.972 0.04 . 1 . 62 . . 12 HIS CA . 19010 1 45 . 1 1 32 32 HIS CB C 13 28.010 0.20 . 1 . 63 . . 12 HIS CB . 19010 1 46 . 1 1 32 32 HIS N N 15 113.260 0.026 . 1 . 67 . . 12 HIS N . 19010 1 47 . 1 1 33 33 ASP H H 1 7.070 0.004 . 1 . 71 . . 13 ASP H . 19010 1 48 . 1 1 33 33 ASP C C 13 177.411 0.050 . 1 . 68 . . 13 ASP C . 19010 1 49 . 1 1 33 33 ASP CA C 13 51.308 0.102 . 1 . 69 . . 13 ASP CA . 19010 1 50 . 1 1 33 33 ASP CB C 13 41.502 0.20 . 1 . 70 . . 13 ASP CB . 19010 1 51 . 1 1 33 33 ASP N N 15 111.292 0.013 . 1 . 72 . . 13 ASP N . 19010 1 52 . 1 1 34 34 SER H H 1 7.166 0.021 . 1 . 76 . . 14 SER H . 19010 1 53 . 1 1 34 34 SER C C 13 171.696 0.050 . 1 . 73 . . 14 SER C . 19010 1 54 . 1 1 34 34 SER CA C 13 57.272 0.076 . 1 . 74 . . 14 SER CA . 19010 1 55 . 1 1 34 34 SER CB C 13 65.781 0.20 . 1 . 75 . . 14 SER CB . 19010 1 56 . 1 1 34 34 SER N N 15 113.916 0.094 . 1 . 79 . . 14 SER N . 19010 1 57 . 1 1 35 35 VAL H H 1 7.982 0.004 . 1 . 83 . . 15 VAL H . 19010 1 58 . 1 1 35 35 VAL C C 13 175.074 0.050 . 1 . 80 . . 15 VAL C . 19010 1 59 . 1 1 35 35 VAL CA C 13 61.345 0.032 . 1 . 81 . . 15 VAL CA . 19010 1 60 . 1 1 35 35 VAL CB C 13 36.983 0.20 . 1 . 82 . . 15 VAL CB . 19010 1 61 . 1 1 35 35 VAL N N 15 118.610 0.03 . 1 . 84 . . 15 VAL N . 19010 1 62 . 1 1 36 36 SER H H 1 8.886 0.007 . 1 . 90 . . 16 SER H . 19010 1 63 . 1 1 36 36 SER C C 13 173.940 0.050 . 1 . 87 . . 16 SER C . 19010 1 64 . 1 1 36 36 SER CA C 13 57.669 0.008 . 1 . 88 . . 16 SER CA . 19010 1 65 . 1 1 36 36 SER CB C 13 63.398 0.20 . 1 . 89 . . 16 SER CB . 19010 1 66 . 1 1 36 36 SER N N 15 122.889 0.079 . 1 . 91 . . 16 SER N . 19010 1 67 . 1 1 37 37 LEU H H 1 9.067 0.004 . 1 . 97 . . 17 LEU H . 19010 1 68 . 1 1 37 37 LEU C C 13 177.115 0.050 . 1 . 92 . . 17 LEU C . 19010 1 69 . 1 1 37 37 LEU CA C 13 55.058 0.035 . 1 . 95 . . 17 LEU CA . 19010 1 70 . 1 1 37 37 LEU CB C 13 46.863 0.20 . 1 . 96 . . 17 LEU CB . 19010 1 71 . 1 1 37 37 LEU N N 15 125.092 0.099 . 1 . 98 . . 17 LEU N . 19010 1 72 . 1 1 38 38 THR H H 1 8.784 0.028 . 1 . 102 . . 18 THR H . 19010 1 73 . 1 1 38 38 THR C C 13 173.211 0.050 . 1 . 99 . . 18 THR C . 19010 1 74 . 1 1 38 38 THR CA C 13 60.298 0.080 . 1 . 100 . . 18 THR CA . 19010 1 75 . 1 1 38 38 THR CB C 13 71.692 0.20 . 1 . 101 . . 18 THR CB . 19010 1 76 . 1 1 38 38 THR N N 15 113.346 0.096 . 1 . 103 . . 18 THR N . 19010 1 77 . 1 1 39 39 TRP C C 13 174.325 0.050 . 1 . 104 . . 19 TRP C . 19010 1 78 . 1 1 39 39 TRP CA C 13 56.919 0.080 . 1 . 105 . . 19 TRP CA . 19010 1 79 . 1 1 40 40 THR H H 1 7.236 0.033 . 1 . 109 . . 20 THR H . 19010 1 80 . 1 1 40 40 THR C C 13 173.519 0.050 . 1 . 106 . . 20 THR C . 19010 1 81 . 1 1 40 40 THR CA C 13 60.118 0.031 . 1 . 107 . . 20 THR CA . 19010 1 82 . 1 1 40 40 THR CB C 13 70.961 0.20 . 1 . 108 . . 20 THR CB . 19010 1 83 . 1 1 40 40 THR N N 15 108.367 0.122 . 1 . 110 . . 20 THR N . 19010 1 84 . 1 1 41 41 ASP H H 1 8.205 0.01 . 1 . 116 . . 21 ASP H . 19010 1 85 . 1 1 41 41 ASP C C 13 175.932 0.050 . 1 . 111 . . 21 ASP C . 19010 1 86 . 1 1 41 41 ASP CA C 13 52.916 0.080 . 1 . 112 . . 21 ASP CA . 19010 1 87 . 1 1 41 41 ASP CB C 13 40.449 0.20 . 1 . 115 . . 21 ASP CB . 19010 1 88 . 1 1 41 41 ASP N N 15 120.408 0.132 . 1 . 117 . . 21 ASP N . 19010 1 89 . 1 1 42 42 PRO C C 13 176.807 0.050 . 1 . 118 . . 22 PRO C . 19010 1 90 . 1 1 42 42 PRO CA C 13 62.714 0.080 . 1 . 119 . . 22 PRO CA . 19010 1 91 . 1 1 42 42 PRO CB C 13 31.935 0.20 . 1 . 120 . . 22 PRO CB . 19010 1 92 . 1 1 43 43 LYS H H 1 8.433 0.005 . 1 . 124 . . 23 LYS H . 19010 1 93 . 1 1 43 43 LYS C C 13 176.807 0.050 . 1 . 121 . . 23 LYS C . 19010 1 94 . 1 1 43 43 LYS CA C 13 57.540 0.009 . 1 . 122 . . 23 LYS CA . 19010 1 95 . 1 1 43 43 LYS CB C 13 32.139 0.20 . 1 . 123 . . 23 LYS CB . 19010 1 96 . 1 1 43 43 LYS N N 15 121.996 0.002 . 1 . 125 . . 23 LYS N . 19010 1 97 . 1 1 44 44 LYS H H 1 8.027 0.009 . 1 . 129 . . 24 LYS H . 19010 1 98 . 1 1 44 44 LYS C C 13 176.987 0.050 . 1 . 126 . . 24 LYS C . 19010 1 99 . 1 1 44 44 LYS CA C 13 55.937 0.008 . 1 . 127 . . 24 LYS CA . 19010 1 100 . 1 1 44 44 LYS CB C 13 32.431 0.20 . 1 . 128 . . 24 LYS CB . 19010 1 101 . 1 1 44 44 LYS N N 15 121.095 0.128 . 1 . 130 . . 24 LYS N . 19010 1 102 . 1 1 45 45 THR H H 1 8.297 0.004 . 1 . 134 . . 25 THR H . 19010 1 103 . 1 1 45 45 THR C C 13 175.962 0.050 . 1 . 131 . . 25 THR C . 19010 1 104 . 1 1 45 45 THR CA C 13 61.931 0.080 . 1 . 132 . . 25 THR CA . 19010 1 105 . 1 1 45 45 THR CB C 13 69.331 0.20 . 1 . 133 . . 25 THR CB . 19010 1 106 . 1 1 45 45 THR N N 15 115.583 0.009 . 1 . 135 . . 25 THR N . 19010 1 107 . 1 1 46 46 GLY H H 1 8.418 0.0 . 1 . 138 . . 26 GLY H . 19010 1 108 . 1 1 46 46 GLY C C 13 175.404 0.050 . 1 . 136 . . 26 GLY C . 19010 1 109 . 1 1 46 46 GLY CA C 13 45.507 0.080 . 1 . 137 . . 26 GLY CA . 19010 1 110 . 1 1 46 46 GLY N N 15 112.215 0.01 . 1 . 139 . . 26 GLY N . 19010 1 111 . 1 1 47 47 GLY H H 1 8.252 0.0 . 1 . 142 . . 27 GLY H . 19010 1 112 . 1 1 47 47 GLY C C 13 174.522 0.050 . 1 . 140 . . 27 GLY C . 19010 1 113 . 1 1 47 47 GLY CA C 13 45.166 0.080 . 1 . 141 . . 27 GLY CA . 19010 1 114 . 1 1 47 47 GLY N N 15 109.032 0.120 . 1 . 143 . . 27 GLY N . 19010 1 115 . 1 1 48 48 SER H H 1 8.174 0.004 . 1 . 153 . . 28 SER H . 19010 1 116 . 1 1 48 48 SER C C 13 174.767 0.050 . 1 . 144 . . 28 SER C . 19010 1 117 . 1 1 48 48 SER CA C 13 58.521 0.003 . 1 . 145 . . 28 SER CA . 19010 1 118 . 1 1 48 48 SER CB C 13 63.694 0.20 . 1 . 146 . . 28 SER CB . 19010 1 119 . 1 1 48 48 SER N N 15 116.256 0.06 . 1 . 154 . . 28 SER N . 19010 1 120 . 1 1 50 50 ILE H H 1 8.292 0.017 . 1 . 158 . . 30 ILE H . 19010 1 121 . 1 1 50 50 ILE C C 13 178.708 0.050 . 1 . 155 . . 30 ILE C . 19010 1 122 . 1 1 50 50 ILE CA C 13 61.160 0.035 . 1 . 156 . . 30 ILE CA . 19010 1 123 . 1 1 50 50 ILE CB C 13 38.580 0.20 . 1 . 157 . . 30 ILE CB . 19010 1 124 . 1 1 50 50 ILE N N 15 122.225 0.018 . 1 . 159 . . 30 ILE N . 19010 1 125 . 1 1 51 51 THR H H 1 8.987 0.021 . 1 . 163 . . 31 THR H . 19010 1 126 . 1 1 51 51 THR C C 13 175.350 0.050 . 1 . 160 . . 31 THR C . 19010 1 127 . 1 1 51 51 THR CA C 13 61.465 0.059 . 1 . 161 . . 31 THR CA . 19010 1 128 . 1 1 51 51 THR CB C 13 68.923 0.20 . 1 . 162 . . 31 THR CB . 19010 1 129 . 1 1 51 51 THR N N 15 119.198 0.039 . 1 . 164 . . 31 THR N . 19010 1 130 . 1 1 52 52 GLY H H 1 7.250 0.006 . 1 . 167 . . 32 GLY H . 19010 1 131 . 1 1 52 52 GLY C C 13 169.949 0.050 . 1 . 165 . . 32 GLY C . 19010 1 132 . 1 1 52 52 GLY CA C 13 44.516 0.080 . 1 . 166 . . 32 GLY CA . 19010 1 133 . 1 1 52 52 GLY N N 15 110.961 0.074 . 1 . 168 . . 32 GLY N . 19010 1 134 . 1 1 53 53 TYR H H 1 8.777 0.006 . 1 . 172 . . 33 TYR H . 19010 1 135 . 1 1 53 53 TYR C C 13 175.512 0.050 . 1 . 169 . . 33 TYR C . 19010 1 136 . 1 1 53 53 TYR CA C 13 56.597 0.049 . 1 . 170 . . 33 TYR CA . 19010 1 137 . 1 1 53 53 TYR CB C 13 42.983 0.20 . 1 . 171 . . 33 TYR CB . 19010 1 138 . 1 1 53 53 TYR N N 15 116.190 0.071 . 1 . 173 . . 33 TYR N . 19010 1 139 . 1 1 54 54 HIS H H 1 8.597 0.012 . 1 . 176 . . 34 HIS H . 19010 1 140 . 1 1 54 54 HIS C C 13 174.233 0.050 . 1 . 174 . . 34 HIS C . 19010 1 141 . 1 1 54 54 HIS CA C 13 54.910 0.080 . 1 . 175 . . 34 HIS CA . 19010 1 142 . 1 1 54 54 HIS N N 15 116.109 0.046 . 1 . 179 . . 34 HIS N . 19010 1 143 . 1 1 55 55 LEU H H 1 8.628 0.023 . 1 . 182 . . 35 LEU H . 19010 1 144 . 1 1 55 55 LEU C C 13 175.707 0.050 . 1 . 180 . . 35 LEU C . 19010 1 145 . 1 1 55 55 LEU CA C 13 53.096 0.080 . 1 . 181 . . 35 LEU CA . 19010 1 146 . 1 1 55 55 LEU N N 15 124.996 0.243 . 1 . 183 . . 35 LEU N . 19010 1 147 . 1 1 56 56 GLU H H 1 9.129 0.005 . 1 . 187 . . 36 GLU H . 19010 1 148 . 1 1 56 56 GLU C C 13 175.314 0.050 . 1 . 184 . . 36 GLU C . 19010 1 149 . 1 1 56 56 GLU CA C 13 53.673 0.019 . 1 . 185 . . 36 GLU CA . 19010 1 150 . 1 1 56 56 GLU CB C 13 35.304 0.20 . 1 . 186 . . 36 GLU CB . 19010 1 151 . 1 1 56 56 GLU N N 15 124.602 0.032 . 1 . 188 . . 36 GLU N . 19010 1 152 . 1 1 57 57 PHE H H 1 9.845 0.009 . 1 . 194 . . 37 PHE H . 19010 1 153 . 1 1 57 57 PHE C C 13 173.343 0.050 . 1 . 189 . . 37 PHE C . 19010 1 154 . 1 1 57 57 PHE CA C 13 55.195 0.05 . 1 . 190 . . 37 PHE CA . 19010 1 155 . 1 1 57 57 PHE CB C 13 45.956 0.20 . 1 . 193 . . 37 PHE CB . 19010 1 156 . 1 1 57 57 PHE N N 15 119.499 0.039 . 1 . 195 . . 37 PHE N . 19010 1 157 . 1 1 58 58 LYS H H 1 8.269 0.005 . 1 . 199 . . 38 LYS H . 19010 1 158 . 1 1 58 58 LYS C C 13 175.796 0.050 . 1 . 196 . . 38 LYS C . 19010 1 159 . 1 1 58 58 LYS CA C 13 55.571 0.018 . 1 . 197 . . 38 LYS CA . 19010 1 160 . 1 1 58 58 LYS CB C 13 35.278 0.20 . 1 . 198 . . 38 LYS CB . 19010 1 161 . 1 1 58 58 LYS N N 15 116.562 0.042 . 1 . 200 . . 38 LYS N . 19010 1 162 . 1 1 59 59 GLU H H 1 8.792 0.008 . 1 . 204 . . 39 GLU H . 19010 1 163 . 1 1 59 59 GLU C C 13 179.374 0.050 . 1 . 201 . . 39 GLU C . 19010 1 164 . 1 1 59 59 GLU CA C 13 56.389 0.048 . 1 . 202 . . 39 GLU CA . 19010 1 165 . 1 1 59 59 GLU CB C 13 29.252 0.20 . 1 . 203 . . 39 GLU CB . 19010 1 166 . 1 1 59 59 GLU N N 15 125.575 0.13 . 1 . 207 . . 39 GLU N . 19010 1 167 . 1 1 60 60 ARG H H 1 8.446 0.011 . 1 . 213 . . 40 ARG H . 19010 1 168 . 1 1 60 60 ARG C C 13 177.179 0.050 . 1 . 208 . . 40 ARG C . 19010 1 169 . 1 1 60 60 ARG CA C 13 58.946 0.027 . 1 . 211 . . 40 ARG CA . 19010 1 170 . 1 1 60 60 ARG CB C 13 30.220 0.20 . 1 . 212 . . 40 ARG CB . 19010 1 171 . 1 1 60 60 ARG N N 15 126.402 0.115 . 1 . 214 . . 40 ARG N . 19010 1 172 . 1 1 61 61 ASN H H 1 8.331 0.018 . 1 . 218 . . 41 ASN H . 19010 1 173 . 1 1 61 61 ASN C C 13 175.365 0.050 . 1 . 215 . . 41 ASN C . 19010 1 174 . 1 1 61 61 ASN CA C 13 53.725 0.121 . 1 . 216 . . 41 ASN CA . 19010 1 175 . 1 1 61 61 ASN CB C 13 37.896 0.20 . 1 . 217 . . 41 ASN CB . 19010 1 176 . 1 1 61 61 ASN N N 15 114.203 0.098 . 1 . 219 . . 41 ASN N . 19010 1 177 . 1 1 62 62 SER H H 1 7.598 0.006 . 1 . 223 . . 42 SER H . 19010 1 178 . 1 1 62 62 SER C C 13 174.176 0.050 . 1 . 220 . . 42 SER C . 19010 1 179 . 1 1 62 62 SER CA C 13 57.166 0.080 . 1 . 221 . . 42 SER CA . 19010 1 180 . 1 1 62 62 SER CB C 13 63.888 0.20 . 1 . 222 . . 42 SER CB . 19010 1 181 . 1 1 62 62 SER N N 15 116.079 0.051 . 1 . 224 . . 42 SER N . 19010 1 182 . 1 1 63 63 LEU C C 13 177.725 0.050 . 1 . 227 . . 43 LEU C . 19010 1 183 . 1 1 63 63 LEU CA C 13 55.500 0.080 . 1 . 228 . . 43 LEU CA . 19010 1 184 . 1 1 63 63 LEU CB C 13 42.950 0.20 . 1 . 229 . . 43 LEU CB . 19010 1 185 . 1 1 64 64 LEU H H 1 7.566 0.006 . 1 . 233 . . 44 LEU H . 19010 1 186 . 1 1 64 64 LEU C C 13 175.900 0.050 . 1 . 230 . . 44 LEU C . 19010 1 187 . 1 1 64 64 LEU CA C 13 54.118 0.056 . 1 . 231 . . 44 LEU CA . 19010 1 188 . 1 1 64 64 LEU CB C 13 43.046 0.20 . 1 . 232 . . 44 LEU CB . 19010 1 189 . 1 1 64 64 LEU N N 15 121.071 0.021 . 1 . 234 . . 44 LEU N . 19010 1 190 . 1 1 65 65 TRP H H 1 8.288 0.032 . 1 . 239 . . 45 TRP H . 19010 1 191 . 1 1 65 65 TRP C C 13 176.949 0.050 . 1 . 235 . . 45 TRP C . 19010 1 192 . 1 1 65 65 TRP CA C 13 57.882 0.102 . 1 . 237 . . 45 TRP CA . 19010 1 193 . 1 1 65 65 TRP CB C 13 29.568 0.20 . 1 . 238 . . 45 TRP CB . 19010 1 194 . 1 1 65 65 TRP N N 15 125.855 0.125 . 1 . 240 . . 45 TRP N . 19010 1 195 . 1 1 66 66 LYS H H 1 8.828 0.004 . 1 . 244 . . 46 LYS H . 19010 1 196 . 1 1 66 66 LYS C C 13 176.072 0.050 . 1 . 241 . . 46 LYS C . 19010 1 197 . 1 1 66 66 LYS CA C 13 55.017 0.067 . 1 . 242 . . 46 LYS CA . 19010 1 198 . 1 1 66 66 LYS CB C 13 34.164 0.20 . 1 . 243 . . 46 LYS CB . 19010 1 199 . 1 1 66 66 LYS N N 15 124.306 0.056 . 1 . 245 . . 46 LYS N . 19010 1 200 . 1 1 67 67 ARG H H 1 8.698 0.007 . 1 . 251 . . 47 ARG H . 19010 1 201 . 1 1 67 67 ARG C C 13 177.582 0.050 . 1 . 246 . . 47 ARG C . 19010 1 202 . 1 1 67 67 ARG CA C 13 56.361 0.013 . 1 . 249 . . 47 ARG CA . 19010 1 203 . 1 1 67 67 ARG CB C 13 29.952 0.20 . 1 . 250 . . 47 ARG CB . 19010 1 204 . 1 1 67 67 ARG N N 15 123.050 0.037 . 1 . 252 . . 47 ARG N . 19010 1 205 . 1 1 68 68 ALA H H 1 9.563 0.004 . 1 . 258 . . 48 ALA H . 19010 1 206 . 1 1 68 68 ALA C C 13 177.116 0.050 . 1 . 255 . . 48 ALA C . 19010 1 207 . 1 1 68 68 ALA CA C 13 53.459 0.080 . 1 . 256 . . 48 ALA CA . 19010 1 208 . 1 1 68 68 ALA CB C 13 21.417 0.20 . 1 . 257 . . 48 ALA CB . 19010 1 209 . 1 1 68 68 ALA N N 15 127.992 0.064 . 1 . 259 . . 48 ALA N . 19010 1 210 . 1 1 69 69 ASN C C 13 176.476 0.050 . 1 . 260 . . 49 ASN C . 19010 1 211 . 1 1 69 69 ASN CA C 13 53.440 0.080 . 1 . 261 . . 49 ASN CA . 19010 1 212 . 1 1 70 70 LYS H H 1 8.701 0.002 . 1 . 266 . . 50 LYS H . 19010 1 213 . 1 1 70 70 LYS CA C 13 57.758 0.080 . 1 . 262 . . 50 LYS CA . 19010 1 214 . 1 1 70 70 LYS CB C 13 33.910 0.20 . 1 . 265 . . 50 LYS CB . 19010 1 215 . 1 1 70 70 LYS N N 15 112.141 0.026 . 1 . 267 . . 50 LYS N . 19010 1 216 . 1 1 72 72 PRO CA C 13 62.955 0.080 . 1 . 268 . . 52 PRO CA . 19010 1 217 . 1 1 72 72 PRO CB C 13 31.998 0.20 . 1 . 269 . . 52 PRO CB . 19010 1 218 . 1 1 73 73 ILE H H 1 8.213 0.003 . 1 . 274 . . 53 ILE H . 19010 1 219 . 1 1 73 73 ILE CA C 13 61.191 0.080 . 1 . 270 . . 53 ILE CA . 19010 1 220 . 1 1 73 73 ILE CB C 13 39.031 0.20 . 1 . 273 . . 53 ILE CB . 19010 1 221 . 1 1 73 73 ILE N N 15 122.004 0.056 . 1 . 275 . . 53 ILE N . 19010 1 222 . 1 1 74 74 ARG CA C 13 56.321 0.080 . 1 . 276 . . 54 ARG CA . 19010 1 223 . 1 1 74 74 ARG CB C 13 30.277 0.20 . 1 . 281 . . 54 ARG CB . 19010 1 224 . 1 1 75 75 MET H H 1 7.588 0.008 . 1 . 289 . . 55 MET H . 19010 1 225 . 1 1 75 75 MET C C 13 173.737 0.050 . 1 . 282 . . 55 MET C . 19010 1 226 . 1 1 75 75 MET CA C 13 54.485 0.008 . 1 . 283 . . 55 MET CA . 19010 1 227 . 1 1 75 75 MET CB C 13 33.315 0.20 . 1 . 284 . . 55 MET CB . 19010 1 228 . 1 1 75 75 MET N N 15 118.765 0.032 . 1 . 290 . . 55 MET N . 19010 1 229 . 1 1 76 76 ARG H H 1 7.612 0.01 . 1 . 294 . . 56 ARG H . 19010 1 230 . 1 1 76 76 ARG C C 13 173.825 0.050 . 1 . 291 . . 56 ARG C . 19010 1 231 . 1 1 76 76 ARG CA C 13 54.625 0.0 . 1 . 292 . . 56 ARG CA . 19010 1 232 . 1 1 76 76 ARG CB C 13 33.169 0.20 . 1 . 293 . . 56 ARG CB . 19010 1 233 . 1 1 76 76 ARG N N 15 117.790 0.036 . 1 . 297 . . 56 ARG N . 19010 1 234 . 1 1 77 77 ASP H H 1 6.571 0.011 . 1 . 301 . . 57 ASP H . 19010 1 235 . 1 1 77 77 ASP C C 13 174.648 0.050 . 1 . 298 . . 57 ASP C . 19010 1 236 . 1 1 77 77 ASP CA C 13 53.276 0.02 . 1 . 299 . . 57 ASP CA . 19010 1 237 . 1 1 77 77 ASP CB C 13 44.462 0.20 . 1 . 300 . . 57 ASP CB . 19010 1 238 . 1 1 77 77 ASP N N 15 115.638 0.006 . 1 . 302 . . 57 ASP N . 19010 1 239 . 1 1 78 78 PHE H H 1 8.327 0.007 . 1 . 306 . . 58 PHE H . 19010 1 240 . 1 1 78 78 PHE C C 13 172.518 0.050 . 1 . 303 . . 58 PHE C . 19010 1 241 . 1 1 78 78 PHE CA C 13 59.452 0.032 . 1 . 304 . . 58 PHE CA . 19010 1 242 . 1 1 78 78 PHE CB C 13 43.934 0.20 . 1 . 305 . . 58 PHE CB . 19010 1 243 . 1 1 78 78 PHE N N 15 119.356 0.026 . 1 . 309 . . 58 PHE N . 19010 1 244 . 1 1 79 79 LYS H H 1 7.146 0.026 . 1 . 313 . . 59 LYS H . 19010 1 245 . 1 1 79 79 LYS C C 13 174.382 0.050 . 1 . 310 . . 59 LYS C . 19010 1 246 . 1 1 79 79 LYS CA C 13 54.840 0.078 . 1 . 311 . . 59 LYS CA . 19010 1 247 . 1 1 79 79 LYS CB C 13 33.862 0.20 . 1 . 312 . . 59 LYS CB . 19010 1 248 . 1 1 79 79 LYS N N 15 127.974 0.136 . 1 . 314 . . 59 LYS N . 19010 1 249 . 1 1 80 80 VAL H H 1 8.941 0.026 . 1 . 322 . . 60 VAL H . 19010 1 250 . 1 1 80 80 VAL C C 13 175.724 0.050 . 1 . 319 . . 60 VAL C . 19010 1 251 . 1 1 80 80 VAL CA C 13 62.617 0.023 . 1 . 320 . . 60 VAL CA . 19010 1 252 . 1 1 80 80 VAL CB C 13 31.562 0.20 . 1 . 321 . . 60 VAL CB . 19010 1 253 . 1 1 80 80 VAL N N 15 129.682 0.1 . 1 . 323 . . 60 VAL N . 19010 1 254 . 1 1 81 81 THR H H 1 7.826 0.009 . 1 . 329 . . 61 THR H . 19010 1 255 . 1 1 81 81 THR C C 13 174.672 0.050 . 1 . 324 . . 61 THR C . 19010 1 256 . 1 1 81 81 THR CA C 13 59.931 0.007 . 1 . 325 . . 61 THR CA . 19010 1 257 . 1 1 81 81 THR CB C 13 70.466 0.20 . 1 . 326 . . 61 THR CB . 19010 1 258 . 1 1 81 81 THR N N 15 116.846 0.114 . 1 . 330 . . 61 THR N . 19010 1 259 . 1 1 82 82 GLY H H 1 8.388 0.004 . 1 . 335 . . 62 GLY H . 19010 1 260 . 1 1 82 82 GLY C C 13 176.267 0.050 . 1 . 333 . . 62 GLY C . 19010 1 261 . 1 1 82 82 GLY CA C 13 45.904 0.049 . 1 . 334 . . 62 GLY CA . 19010 1 262 . 1 1 82 82 GLY N N 15 107.044 0.019 . 1 . 336 . . 62 GLY N . 19010 1 263 . 1 1 83 83 LEU H H 1 7.610 0.008 . 1 . 339 . . 63 LEU H . 19010 1 264 . 1 1 83 83 LEU CA C 13 54.191 0.06 . 1 . 337 . . 63 LEU CA . 19010 1 265 . 1 1 83 83 LEU CB C 13 40.033 0.20 . 1 . 338 . . 63 LEU CB . 19010 1 266 . 1 1 83 83 LEU N N 15 119.477 0.087 . 1 . 340 . . 63 LEU N . 19010 1 267 . 1 1 84 84 THR H H 1 8.478 0.007 . 1 . 356 . . 64 THR H . 19010 1 268 . 1 1 84 84 THR C C 13 173.012 0.050 . 1 . 347 . . 64 THR C . 19010 1 269 . 1 1 84 84 THR CA C 13 62.903 0.017 . 1 . 348 . . 64 THR CA . 19010 1 270 . 1 1 84 84 THR CB C 13 69.952 0.20 . 1 . 355 . . 64 THR CB . 19010 1 271 . 1 1 84 84 THR N N 15 119.599 0.037 . 1 . 363 . . 64 THR N . 19010 1 272 . 1 1 85 85 GLU H H 1 8.142 0.008 . 1 . 372 . . 65 GLU H . 19010 1 273 . 1 1 85 85 GLU C C 13 178.807 0.050 . 1 . 364 . . 65 GLU C . 19010 1 274 . 1 1 85 85 GLU CA C 13 57.579 0.015 . 1 . 366 . . 65 GLU CA . 19010 1 275 . 1 1 85 85 GLU CB C 13 29.817 0.20 . 1 . 371 . . 65 GLU CB . 19010 1 276 . 1 1 85 85 GLU N N 15 129.433 0.051 . 1 . 377 . . 65 GLU N . 19010 1 277 . 1 1 86 86 GLY H H 1 9.910 0.026 . 1 . 385 . . 66 GLY H . 19010 1 278 . 1 1 86 86 GLY C C 13 174.462 0.050 . 1 . 379 . . 66 GLY C . 19010 1 279 . 1 1 86 86 GLY CA C 13 44.732 0.161 . 1 . 381 . . 66 GLY CA . 19010 1 280 . 1 1 86 86 GLY N N 15 114.466 0.076 . 1 . 386 . . 66 GLY N . 19010 1 281 . 1 1 87 87 LEU H H 1 7.772 0.014 . 1 . 406 . . 67 LEU H . 19010 1 282 . 1 1 87 87 LEU C C 13 174.621 0.050 . 1 . 395 . . 67 LEU C . 19010 1 283 . 1 1 87 87 LEU CA C 13 54.376 0.080 . 1 . 396 . . 67 LEU CA . 19010 1 284 . 1 1 87 87 LEU CB C 13 40.813 0.20 . 1 . 405 . . 67 LEU CB . 19010 1 285 . 1 1 87 87 LEU N N 15 122.031 0.073 . 1 . 408 . . 67 LEU N . 19010 1 286 . 1 1 88 88 GLU H H 1 8.113 0.02 . 1 . 421 . . 68 GLU H . 19010 1 287 . 1 1 88 88 GLU C C 13 176.014 0.050 . 1 . 415 . . 68 GLU C . 19010 1 288 . 1 1 88 88 GLU CA C 13 54.541 0.019 . 1 . 416 . . 68 GLU CA . 19010 1 289 . 1 1 88 88 GLU CB C 13 32.285 0.20 . 1 . 417 . . 68 GLU CB . 19010 1 290 . 1 1 88 88 GLU N N 15 120.761 0.154 . 1 . 434 . . 68 GLU N . 19010 1 291 . 1 1 89 89 TYR H H 1 9.244 0.008 . 1 . 449 . . 69 TYR H . 19010 1 292 . 1 1 89 89 TYR C C 13 174.952 0.050 . 1 . 436 . . 69 TYR C . 19010 1 293 . 1 1 89 89 TYR CA C 13 57.897 0.036 . 1 . 445 . . 69 TYR CA . 19010 1 294 . 1 1 89 89 TYR CB C 13 44.507 0.20 . 1 . 448 . . 69 TYR CB . 19010 1 295 . 1 1 89 89 TYR N N 15 124.005 0.047 . 1 . 452 . . 69 TYR N . 19010 1 296 . 1 1 90 90 GLU H H 1 8.391 0.006 . 1 . 460 . . 70 GLU H . 19010 1 297 . 1 1 90 90 GLU C C 13 174.660 0.050 . 1 . 453 . . 70 GLU C . 19010 1 298 . 1 1 90 90 GLU CA C 13 54.974 0.017 . 1 . 455 . . 70 GLU CA . 19010 1 299 . 1 1 90 90 GLU CB C 13 34.755 0.20 . 1 . 456 . . 70 GLU CB . 19010 1 300 . 1 1 90 90 GLU N N 15 116.561 0.06 . 1 . 462 . . 70 GLU N . 19010 1 301 . 1 1 91 91 PHE H H 1 8.085 0.004 . 1 . 488 . . 71 PHE H . 19010 1 302 . 1 1 91 91 PHE C C 13 175.102 0.050 . 1 . 466 . . 71 PHE C . 19010 1 303 . 1 1 91 91 PHE CA C 13 57.511 0.007 . 1 . 483 . . 71 PHE CA . 19010 1 304 . 1 1 91 91 PHE CB C 13 43.959 0.20 . 1 . 485 . . 71 PHE CB . 19010 1 305 . 1 1 91 91 PHE N N 15 115.559 0.02 . 1 . 492 . . 71 PHE N . 19010 1 306 . 1 1 92 92 ARG H H 1 9.456 0.006 . 1 . 517 . . 72 ARG H . 19010 1 307 . 1 1 92 92 ARG C C 13 172.098 0.050 . 1 . 498 . . 72 ARG C . 19010 1 308 . 1 1 92 92 ARG CA C 13 55.376 0.064 . 1 . 513 . . 72 ARG CA . 19010 1 309 . 1 1 92 92 ARG CB C 13 32.407 0.20 . 1 . 515 . . 72 ARG CB . 19010 1 310 . 1 1 92 92 ARG N N 15 118.550 0.089 . 1 . 521 . . 72 ARG N . 19010 1 311 . 1 1 93 93 VAL H H 1 8.232 0.013 . 1 . 529 . . 73 VAL H . 19010 1 312 . 1 1 93 93 VAL CA C 13 59.165 0.017 . 1 . 527 . . 73 VAL CA . 19010 1 313 . 1 1 93 93 VAL N N 15 118.948 0.114 . 1 . 534 . . 73 VAL N . 19010 1 314 . 1 1 95 95 ALA C C 13 176.341 0.050 . 1 . 538 . . 75 ALA C . 19010 1 315 . 1 1 95 95 ALA CA C 13 51.333 0.016 . 1 . 540 . . 75 ALA CA . 19010 1 316 . 1 1 95 95 ALA CB C 13 20.356 0.20 . 1 . 543 . . 75 ALA CB . 19010 1 317 . 1 1 96 96 ILE H H 1 8.376 0.011 . 1 . 562 . . 76 ILE H . 19010 1 318 . 1 1 96 96 ILE C C 13 175.309 0.050 . 1 . 544 . . 76 ILE C . 19010 1 319 . 1 1 96 96 ILE CA C 13 60.825 0.080 . 1 . 545 . . 76 ILE CA . 19010 1 320 . 1 1 96 96 ILE CB C 13 39.209 0.20 . 1 . 558 . . 76 ILE CB . 19010 1 321 . 1 1 96 96 ILE N N 15 123.692 0.029 . 1 . 564 . . 76 ILE N . 19010 1 322 . 1 1 97 97 ASN H H 1 8.295 0.01 . 1 . 576 . . 77 ASN H . 19010 1 323 . 1 1 97 97 ASN C C 13 177.211 0.050 . 1 . 565 . . 77 ASN C . 19010 1 324 . 1 1 97 97 ASN CA C 13 51.555 0.080 . 1 . 568 . . 77 ASN CA . 19010 1 325 . 1 1 97 97 ASN CB C 13 39.943 0.20 . 1 . 575 . . 77 ASN CB . 19010 1 326 . 1 1 97 97 ASN N N 15 124.969 0.042 . 1 . 581 . . 77 ASN N . 19010 1 327 . 1 1 98 98 LEU H H 1 8.158 0.012 . 1 . 611 . . 78 LEU H . 19010 1 328 . 1 1 98 98 LEU C C 13 178.381 0.050 . 1 . 586 . . 78 LEU C . 19010 1 329 . 1 1 98 98 LEU CA C 13 57.793 0.080 . 1 . 603 . . 78 LEU CA . 19010 1 330 . 1 1 98 98 LEU CB C 13 41.205 0.20 . 1 . 606 . . 78 LEU CB . 19010 1 331 . 1 1 98 98 LEU N N 15 119.997 0.067 . 1 . 612 . . 78 LEU N . 19010 1 332 . 1 1 99 99 ALA H H 1 7.741 0.007 . 1 . 624 . . 79 ALA H . 19010 1 333 . 1 1 99 99 ALA C C 13 177.930 0.050 . 1 . 613 . . 79 ALA C . 19010 1 334 . 1 1 99 99 ALA CA C 13 52.582 0.102 . 1 . 614 . . 79 ALA CA . 19010 1 335 . 1 1 99 99 ALA CB C 13 19.017 0.20 . 1 . 621 . . 79 ALA CB . 19010 1 336 . 1 1 99 99 ALA N N 15 119.977 0.016 . 1 . 631 . . 79 ALA N . 19010 1 337 . 1 1 100 100 GLY H H 1 7.794 0.01 . 1 . 641 . . 80 GLY H . 19010 1 338 . 1 1 100 100 GLY C C 13 173.024 0.050 . 1 . 633 . . 80 GLY C . 19010 1 339 . 1 1 100 100 GLY CA C 13 44.670 0.031 . 1 . 640 . . 80 GLY CA . 19010 1 340 . 1 1 100 100 GLY N N 15 108.035 0.024 . 1 . 643 . . 80 GLY N . 19010 1 341 . 1 1 101 101 VAL H H 1 8.231 0.012 . 1 . 668 . . 81 VAL H . 19010 1 342 . 1 1 101 101 VAL C C 13 177.179 0.050 . 1 . 652 . . 81 VAL C . 19010 1 343 . 1 1 101 101 VAL CA C 13 62.825 0.080 . 1 . 654 . . 81 VAL CA . 19010 1 344 . 1 1 101 101 VAL CB C 13 32.326 0.20 . 1 . 661 . . 81 VAL CB . 19010 1 345 . 1 1 101 101 VAL N N 15 122.209 0.037 . 1 . 672 . . 81 VAL N . 19010 1 346 . 1 1 102 102 GLY H H 1 8.703 0.027 . 1 . 686 . . 82 GLY H . 19010 1 347 . 1 1 102 102 GLY C C 13 173.145 0.050 . 1 . 675 . . 82 GLY C . 19010 1 348 . 1 1 102 102 GLY CA C 13 44.452 0.080 . 1 . 681 . . 82 GLY CA . 19010 1 349 . 1 1 102 102 GLY N N 15 116.068 0.05 . 1 . 687 . . 82 GLY N . 19010 1 350 . 1 1 104 104 PRO C C 13 176.860 0.050 . 1 . 688 . . 84 PRO C . 19010 1 351 . 1 1 104 104 PRO CA C 13 62.243 0.080 . 1 . 690 . . 84 PRO CA . 19010 1 352 . 1 1 104 104 PRO CB C 13 31.432 0.20 . 1 . 699 . . 84 PRO CB . 19010 1 353 . 1 1 105 105 SER H H 1 8.598 0.028 . 1 . 713 . . 85 SER H . 19010 1 354 . 1 1 105 105 SER C C 13 175.397 0.050 . 1 . 705 . . 85 SER C . 19010 1 355 . 1 1 105 105 SER CA C 13 58.070 0.043 . 1 . 708 . . 85 SER CA . 19010 1 356 . 1 1 105 105 SER CB C 13 66.977 0.20 . 1 . 710 . . 85 SER CB . 19010 1 357 . 1 1 105 105 SER N N 15 115.106 0.168 . 1 . 714 . . 85 SER N . 19010 1 358 . 1 1 106 106 LEU H H 1 8.656 0.031 . 1 . 726 . . 86 LEU H . 19010 1 359 . 1 1 106 106 LEU C C 13 176.059 0.050 . 1 . 716 . . 86 LEU C . 19010 1 360 . 1 1 106 106 LEU CA C 13 54.697 0.080 . 1 . 717 . . 86 LEU CA . 19010 1 361 . 1 1 106 106 LEU CB C 13 40.603 0.20 . 1 . 724 . . 86 LEU CB . 19010 1 362 . 1 1 106 106 LEU N N 15 120.604 0.094 . 1 . 727 . . 86 LEU N . 19010 1 363 . 1 1 107 107 PRO C C 13 178.226 0.050 . 1 . 729 . . 87 PRO C . 19010 1 364 . 1 1 107 107 PRO CA C 13 62.357 0.080 . 1 . 730 . . 87 PRO CA . 19010 1 365 . 1 1 107 107 PRO CB C 13 32.884 0.20 . 1 . 735 . . 87 PRO CB . 19010 1 366 . 1 1 108 108 SER H H 1 9.511 0.006 . 1 . 748 . . 88 SER H . 19010 1 367 . 1 1 108 108 SER C C 13 173.950 0.050 . 1 . 737 . . 88 SER C . 19010 1 368 . 1 1 108 108 SER CA C 13 58.538 0.091 . 1 . 738 . . 88 SER CA . 19010 1 369 . 1 1 108 108 SER CB C 13 65.827 0.20 . 1 . 746 . . 88 SER CB . 19010 1 370 . 1 1 108 108 SER N N 15 115.450 0.053 . 1 . 749 . . 88 SER N . 19010 1 371 . 1 1 109 109 GLU H H 1 8.516 0.018 . 1 . 793 . . 89 GLU H . 19010 1 372 . 1 1 109 109 GLU C C 13 175.302 0.050 . 1 . 756 . . 89 GLU C . 19010 1 373 . 1 1 109 109 GLU CA C 13 55.637 0.080 . 1 . 777 . . 89 GLU CA . 19010 1 374 . 1 1 109 109 GLU CB C 13 28.535 0.20 . 1 . 780 . . 89 GLU CB . 19010 1 375 . 1 1 109 109 GLU N N 15 120.497 0.034 . 1 . 805 . . 89 GLU N . 19010 1 376 . 1 1 110 110 PRO C C 13 177.924 0.050 . 1 . 811 . . 90 PRO C . 19010 1 377 . 1 1 110 110 PRO CA C 13 62.253 0.080 . 1 . 822 . . 90 PRO CA . 19010 1 378 . 1 1 110 110 PRO CB C 13 31.696 0.20 . 1 . 826 . . 90 PRO CB . 19010 1 379 . 1 1 111 111 VAL H H 1 9.125 0.013 . 1 . 837 . . 91 VAL H . 19010 1 380 . 1 1 111 111 VAL C C 13 174.287 0.050 . 1 . 828 . . 91 VAL C . 19010 1 381 . 1 1 111 111 VAL CA C 13 60.089 0.049 . 1 . 832 . . 91 VAL CA . 19010 1 382 . 1 1 111 111 VAL N N 15 119.911 0.055 . 1 . 838 . . 91 VAL N . 19010 1 383 . 1 1 112 112 VAL H H 1 8.330 0.025 . 1 . 855 . . 92 VAL H . 19010 1 384 . 1 1 112 112 VAL C C 13 176.517 0.050 . 1 . 845 . . 92 VAL C . 19010 1 385 . 1 1 112 112 VAL CA C 13 61.036 0.059 . 1 . 846 . . 92 VAL CA . 19010 1 386 . 1 1 112 112 VAL CB C 13 32.306 0.20 . 1 . 849 . . 92 VAL CB . 19010 1 387 . 1 1 112 112 VAL N N 15 126.447 0.062 . 1 . 857 . . 92 VAL N . 19010 1 388 . 1 1 113 113 ALA H H 1 8.390 0.006 . 1 . 880 . . 93 ALA H . 19010 1 389 . 1 1 113 113 ALA C C 13 174.993 0.050 . 1 . 859 . . 93 ALA C . 19010 1 390 . 1 1 113 113 ALA CA C 13 53.466 0.182 . 1 . 865 . . 93 ALA CA . 19010 1 391 . 1 1 113 113 ALA CB C 13 16.841 0.20 . 1 . 875 . . 93 ALA CB . 19010 1 392 . 1 1 113 113 ALA N N 15 131.466 0.078 . 1 . 886 . . 93 ALA N . 19010 1 393 . 1 1 114 114 LEU H H 1 7.002 0.006 . 1 . 896 . . 94 LEU H . 19010 1 394 . 1 1 114 114 LEU C C 13 176.670 0.050 . 1 . 891 . . 94 LEU C . 19010 1 395 . 1 1 114 114 LEU CA C 13 53.606 0.006 . 1 . 894 . . 94 LEU CA . 19010 1 396 . 1 1 114 114 LEU CB C 13 47.496 0.20 . 1 . 895 . . 94 LEU CB . 19010 1 397 . 1 1 114 114 LEU N N 15 128.692 0.044 . 1 . 897 . . 94 LEU N . 19010 1 398 . 1 1 115 115 ASP H H 1 9.223 0.018 . 1 . 902 . . 95 ASP H . 19010 1 399 . 1 1 115 115 ASP C C 13 175.253 0.050 . 1 . 899 . . 95 ASP C . 19010 1 400 . 1 1 115 115 ASP CA C 13 51.787 0.080 . 1 . 900 . . 95 ASP CA . 19010 1 401 . 1 1 115 115 ASP CB C 13 39.450 0.20 . 1 . 901 . . 95 ASP CB . 19010 1 402 . 1 1 115 115 ASP N N 15 121.709 0.09 . 1 . 903 . . 95 ASP N . 19010 1 403 . 1 1 116 116 PRO CA C 13 62.240 0.080 . 1 . 904 . . 96 PRO CA . 19010 1 404 . 1 1 116 116 PRO CB C 13 31.484 0.20 . 1 . 905 . . 96 PRO CB . 19010 1 405 . 1 1 117 117 ILE H H 1 7.796 0.012 . 1 . 909 . . 97 ILE H . 19010 1 406 . 1 1 117 117 ILE C C 13 176.768 0.050 . 1 . 906 . . 97 ILE C . 19010 1 407 . 1 1 117 117 ILE CA C 13 60.684 0.042 . 1 . 907 . . 97 ILE CA . 19010 1 408 . 1 1 117 117 ILE CB C 13 40.365 0.20 . 1 . 908 . . 97 ILE CB . 19010 1 409 . 1 1 117 117 ILE N N 15 122.188 0.061 . 1 . 910 . . 97 ILE N . 19010 1 410 . 1 1 118 118 ASP H H 1 7.995 0.013 . 1 . 914 . . 98 ASP H . 19010 1 411 . 1 1 118 118 ASP C C 13 172.949 0.050 . 1 . 911 . . 98 ASP C . 19010 1 412 . 1 1 118 118 ASP CA C 13 54.172 0.080 . 1 . 912 . . 98 ASP CA . 19010 1 413 . 1 1 118 118 ASP CB C 13 40.647 0.20 . 1 . 913 . . 98 ASP CB . 19010 1 414 . 1 1 118 118 ASP N N 15 128.968 0.125 . 1 . 915 . . 98 ASP N . 19010 1 415 . 1 1 120 120 PRO C C 13 174.946 0.050 . 1 . 916 . . 100 PRO C . 19010 1 416 . 1 1 120 120 PRO CA C 13 61.846 0.080 . 1 . 917 . . 100 PRO CA . 19010 1 417 . 1 1 121 121 GLY H H 1 7.856 0.004 . 1 . 919 . . 101 GLY H . 19010 1 418 . 1 1 121 121 GLY CA C 13 44.739 0.080 . 1 . 918 . . 101 GLY CA . 19010 1 419 . 1 1 121 121 GLY N N 15 106.344 0.014 . 1 . 920 . . 101 GLY N . 19010 1 420 . 1 1 122 122 LYS H H 1 7.638 0.008 . 1 . 923 . . 102 LYS H . 19010 1 421 . 1 1 122 122 LYS CA C 13 54.480 0.0 . 1 . 921 . . 102 LYS CA . 19010 1 422 . 1 1 122 122 LYS CB C 13 33.493 0.20 . 1 . 922 . . 102 LYS CB . 19010 1 423 . 1 1 122 122 LYS N N 15 119.358 0.069 . 1 . 924 . . 102 LYS N . 19010 1 424 . 1 1 126 126 ILE H H 1 8.555 0.025 . 1 . 927 . . 106 ILE H . 19010 1 425 . 1 1 126 126 ILE C C 13 176.422 0.050 . 1 . 925 . . 106 ILE C . 19010 1 426 . 1 1 126 126 ILE CA C 13 60.725 0.080 . 1 . 926 . . 106 ILE CA . 19010 1 427 . 1 1 126 126 ILE N N 15 122.350 0.171 . 1 . 928 . . 106 ILE N . 19010 1 428 . 1 1 127 127 ASN H H 1 7.531 0.009 . 1 . 931 . . 107 ASN H . 19010 1 429 . 1 1 127 127 ASN C C 13 172.870 0.050 . 1 . 929 . . 107 ASN C . 19010 1 430 . 1 1 127 127 ASN CA C 13 54.499 0.01 . 1 . 930 . . 107 ASN CA . 19010 1 431 . 1 1 127 127 ASN N N 15 118.666 0.120 . 1 . 932 . . 107 ASN N . 19010 1 432 . 1 1 128 128 ILE H H 1 8.166 0.012 . 1 . 936 . . 108 ILE H . 19010 1 433 . 1 1 128 128 ILE C C 13 175.535 0.050 . 1 . 933 . . 108 ILE C . 19010 1 434 . 1 1 128 128 ILE CA C 13 62.149 0.057 . 1 . 934 . . 108 ILE CA . 19010 1 435 . 1 1 128 128 ILE CB C 13 42.540 0.20 . 1 . 935 . . 108 ILE CB . 19010 1 436 . 1 1 128 128 ILE N N 15 125.516 0.073 . 1 . 937 . . 108 ILE N . 19010 1 437 . 1 1 129 129 THR H H 1 8.915 0.01 . 1 . 940 . . 109 THR H . 19010 1 438 . 1 1 129 129 THR C C 13 174.565 0.050 . 1 . 938 . . 109 THR C . 19010 1 439 . 1 1 129 129 THR CA C 13 60.395 0.080 . 1 . 939 . . 109 THR CA . 19010 1 440 . 1 1 129 129 THR N N 15 118.819 0.143 . 1 . 941 . . 109 THR N . 19010 1 441 . 1 1 130 130 ARG H H 1 8.128 0.005 . 1 . 945 . . 110 ARG H . 19010 1 442 . 1 1 130 130 ARG C C 13 174.096 0.050 . 1 . 942 . . 110 ARG C . 19010 1 443 . 1 1 130 130 ARG CA C 13 58.398 0.015 . 1 . 943 . . 110 ARG CA . 19010 1 444 . 1 1 130 130 ARG CB C 13 30.026 0.20 . 1 . 944 . . 110 ARG CB . 19010 1 445 . 1 1 130 130 ARG N N 15 114.007 0.062 . 1 . 946 . . 110 ARG N . 19010 1 446 . 1 1 131 131 ASN H H 1 7.516 0.009 . 1 . 950 . . 111 ASN H . 19010 1 447 . 1 1 131 131 ASN C C 13 174.925 0.050 . 1 . 947 . . 111 ASN C . 19010 1 448 . 1 1 131 131 ASN CA C 13 52.244 0.06 . 1 . 948 . . 111 ASN CA . 19010 1 449 . 1 1 131 131 ASN CB C 13 40.961 0.20 . 1 . 949 . . 111 ASN CB . 19010 1 450 . 1 1 131 131 ASN N N 15 111.284 0.033 . 1 . 951 . . 111 ASN N . 19010 1 451 . 1 1 132 132 SER H H 1 7.529 0.007 . 1 . 957 . . 112 SER H . 19010 1 452 . 1 1 132 132 SER C C 13 171.905 0.050 . 1 . 952 . . 112 SER C . 19010 1 453 . 1 1 132 132 SER CA C 13 57.684 0.04 . 1 . 955 . . 112 SER CA . 19010 1 454 . 1 1 132 132 SER CB C 13 66.878 0.20 . 1 . 956 . . 112 SER CB . 19010 1 455 . 1 1 132 132 SER N N 15 115.212 0.068 . 1 . 958 . . 112 SER N . 19010 1 456 . 1 1 133 133 VAL H H 1 7.999 0.029 . 1 . 962 . . 113 VAL H . 19010 1 457 . 1 1 133 133 VAL C C 13 175.001 0.050 . 1 . 959 . . 113 VAL C . 19010 1 458 . 1 1 133 133 VAL CA C 13 61.421 0.001 . 1 . 960 . . 113 VAL CA . 19010 1 459 . 1 1 133 133 VAL CB C 13 37.004 0.20 . 1 . 961 . . 113 VAL CB . 19010 1 460 . 1 1 133 133 VAL N N 15 116.200 0.023 . 1 . 963 . . 113 VAL N . 19010 1 461 . 1 1 134 134 THR H H 1 8.875 0.02 . 1 . 966 . . 114 THR H . 19010 1 462 . 1 1 134 134 THR C C 13 172.973 0.050 . 1 . 964 . . 114 THR C . 19010 1 463 . 1 1 134 134 THR CA C 13 62.859 0.080 . 1 . 965 . . 114 THR CA . 19010 1 464 . 1 1 134 134 THR N N 15 123.597 0.113 . 1 . 967 . . 114 THR N . 19010 1 465 . 1 1 135 135 LEU H H 1 8.971 0.022 . 1 . 970 . . 115 LEU H . 19010 1 466 . 1 1 135 135 LEU C C 13 175.822 0.050 . 1 . 968 . . 115 LEU C . 19010 1 467 . 1 1 135 135 LEU CA C 13 53.441 0.047 . 1 . 969 . . 115 LEU CA . 19010 1 468 . 1 1 135 135 LEU N N 15 128.663 0.135 . 1 . 972 . . 115 LEU N . 19010 1 469 . 1 1 136 136 ILE H H 1 8.565 0.004 . 1 . 976 . . 116 ILE H . 19010 1 470 . 1 1 136 136 ILE C C 13 175.380 0.050 . 1 . 973 . . 116 ILE C . 19010 1 471 . 1 1 136 136 ILE CA C 13 60.330 0.080 . 1 . 974 . . 116 ILE CA . 19010 1 472 . 1 1 136 136 ILE CB C 13 42.181 0.20 . 1 . 975 . . 116 ILE CB . 19010 1 473 . 1 1 136 136 ILE N N 15 113.753 0.045 . 1 . 977 . . 116 ILE N . 19010 1 474 . 1 1 137 137 TRP H H 1 7.126 0.045 . 1 . 981 . . 117 TRP H . 19010 1 475 . 1 1 137 137 TRP C C 13 174.220 0.050 . 1 . 978 . . 117 TRP C . 19010 1 476 . 1 1 137 137 TRP CA C 13 56.954 0.083 . 1 . 979 . . 117 TRP CA . 19010 1 477 . 1 1 137 137 TRP N N 15 118.698 0.258 . 1 . 983 . . 117 TRP N . 19010 1 478 . 1 1 138 138 THR H H 1 7.118 0.025 . 1 . 989 . . 118 THR H . 19010 1 479 . 1 1 138 138 THR C C 13 175.221 0.050 . 1 . 984 . . 118 THR C . 19010 1 480 . 1 1 138 138 THR CA C 13 59.871 0.061 . 1 . 987 . . 118 THR CA . 19010 1 481 . 1 1 138 138 THR CB C 13 70.960 0.20 . 1 . 988 . . 118 THR CB . 19010 1 482 . 1 1 138 138 THR N N 15 107.639 0.037 . 1 . 990 . . 118 THR N . 19010 1 483 . 1 1 139 139 GLU H H 1 8.726 0.02 . 1 . 994 . . 119 GLU H . 19010 1 484 . 1 1 139 139 GLU C C 13 175.909 0.050 . 1 . 991 . . 119 GLU C . 19010 1 485 . 1 1 139 139 GLU CA C 13 54.944 0.080 . 1 . 992 . . 119 GLU CA . 19010 1 486 . 1 1 139 139 GLU CB C 13 30.562 0.20 . 1 . 993 . . 119 GLU CB . 19010 1 487 . 1 1 139 139 GLU N N 15 124.487 0.044 . 1 . 995 . . 119 GLU N . 19010 1 488 . 1 1 140 140 PRO C C 13 177.292 0.050 . 1 . 996 . . 120 PRO C . 19010 1 489 . 1 1 140 140 PRO CA C 13 62.930 0.080 . 1 . 998 . . 120 PRO CA . 19010 1 490 . 1 1 140 140 PRO CB C 13 33.463 0.20 . 1 . 999 . . 120 PRO CB . 19010 1 491 . 1 1 141 141 LYS H H 1 8.931 0.005 . 1 . 1003 . . 121 LYS H . 19010 1 492 . 1 1 141 141 LYS C C 13 177.071 0.050 . 1 . 1000 . . 121 LYS C . 19010 1 493 . 1 1 141 141 LYS CA C 13 58.852 0.042 . 1 . 1001 . . 121 LYS CA . 19010 1 494 . 1 1 141 141 LYS CB C 13 31.420 0.20 . 1 . 1002 . . 121 LYS CB . 19010 1 495 . 1 1 141 141 LYS N N 15 124.837 0.067 . 1 . 1004 . . 121 LYS N . 19010 1 496 . 1 1 142 142 TYR H H 1 7.742 0.006 . 1 . 1008 . . 122 TYR H . 19010 1 497 . 1 1 142 142 TYR C C 13 175.297 0.050 . 1 . 1005 . . 122 TYR C . 19010 1 498 . 1 1 142 142 TYR CA C 13 56.122 0.018 . 1 . 1006 . . 122 TYR CA . 19010 1 499 . 1 1 142 142 TYR CB C 13 39.518 0.20 . 1 . 1007 . . 122 TYR CB . 19010 1 500 . 1 1 142 142 TYR N N 15 118.003 0.028 . 1 . 1009 . . 122 TYR N . 19010 1 501 . 1 1 143 143 ASP H H 1 7.498 0.004 . 1 . 1012 . . 123 ASP H . 19010 1 502 . 1 1 143 143 ASP CA C 13 54.297 0.080 . 1 . 1010 . . 123 ASP CA . 19010 1 503 . 1 1 143 143 ASP CB C 13 40.205 0.20 . 1 . 1011 . . 123 ASP CB . 19010 1 504 . 1 1 143 143 ASP N N 15 127.581 0.051 . 1 . 1013 . . 123 ASP N . 19010 1 505 . 1 1 144 144 GLY CA C 13 45.590 0.080 . 1 . 1014 . . 124 GLY CA . 19010 1 506 . 1 1 145 145 GLY H H 1 8.375 0.005 . 1 . 1017 . . 125 GLY H . 19010 1 507 . 1 1 145 145 GLY C C 13 173.136 0.050 . 1 . 1015 . . 125 GLY C . 19010 1 508 . 1 1 145 145 GLY CA C 13 44.594 0.0 . 1 . 1016 . . 125 GLY CA . 19010 1 509 . 1 1 145 145 GLY N N 15 109.916 0.011 . 1 . 1018 . . 125 GLY N . 19010 1 510 . 1 1 146 146 HIS H H 1 6.781 0.022 . 1 . 1022 . . 126 HIS H . 19010 1 511 . 1 1 146 146 HIS C C 13 172.805 0.050 . 1 . 1019 . . 126 HIS C . 19010 1 512 . 1 1 146 146 HIS CA C 13 54.950 0.024 . 1 . 1020 . . 126 HIS CA . 19010 1 513 . 1 1 146 146 HIS CB C 13 33.849 0.20 . 1 . 1021 . . 126 HIS CB . 19010 1 514 . 1 1 146 146 HIS N N 15 119.121 0.199 . 1 . 1023 . . 126 HIS N . 19010 1 515 . 1 1 147 147 LYS H H 1 7.979 0.014 . 1 . 1027 . . 127 LYS H . 19010 1 516 . 1 1 147 147 LYS C C 13 178.185 0.050 . 1 . 1024 . . 127 LYS C . 19010 1 517 . 1 1 147 147 LYS CA C 13 56.876 0.054 . 1 . 1025 . . 127 LYS CA . 19010 1 518 . 1 1 147 147 LYS CB C 13 32.660 0.20 . 1 . 1026 . . 127 LYS CB . 19010 1 519 . 1 1 147 147 LYS N N 15 119.283 0.157 . 1 . 1028 . . 127 LYS N . 19010 1 520 . 1 1 148 148 LEU H H 1 8.748 0.014 . 1 . 1032 . . 128 LEU H . 19010 1 521 . 1 1 148 148 LEU C C 13 179.315 0.050 . 1 . 1029 . . 128 LEU C . 19010 1 522 . 1 1 148 148 LEU CA C 13 55.710 0.03 . 1 . 1030 . . 128 LEU CA . 19010 1 523 . 1 1 148 148 LEU CB C 13 41.818 0.20 . 1 . 1031 . . 128 LEU CB . 19010 1 524 . 1 1 148 148 LEU N N 15 123.393 0.058 . 1 . 1034 . . 128 LEU N . 19010 1 525 . 1 1 149 149 THR H H 1 8.898 0.018 . 1 . 1037 . . 129 THR H . 19010 1 526 . 1 1 149 149 THR C C 13 175.593 0.050 . 1 . 1035 . . 129 THR C . 19010 1 527 . 1 1 149 149 THR CA C 13 61.229 0.108 . 1 . 1036 . . 129 THR CA . 19010 1 528 . 1 1 149 149 THR N N 15 113.430 0.078 . 1 . 1038 . . 129 THR N . 19010 1 529 . 1 1 150 150 GLY H H 1 7.033 0.007 . 1 . 1041 . . 130 GLY H . 19010 1 530 . 1 1 150 150 GLY C C 13 171.043 0.050 . 1 . 1039 . . 130 GLY C . 19010 1 531 . 1 1 150 150 GLY CA C 13 44.958 0.151 . 1 . 1040 . . 130 GLY CA . 19010 1 532 . 1 1 150 150 GLY N N 15 109.590 0.062 . 1 . 1042 . . 130 GLY N . 19010 1 533 . 1 1 151 151 TYR H H 1 8.521 0.018 . 1 . 1046 . . 131 TYR H . 19010 1 534 . 1 1 151 151 TYR C C 13 175.343 0.050 . 1 . 1043 . . 131 TYR C . 19010 1 535 . 1 1 151 151 TYR CA C 13 57.390 0.04 . 1 . 1044 . . 131 TYR CA . 19010 1 536 . 1 1 151 151 TYR CB C 13 41.986 0.20 . 1 . 1045 . . 131 TYR CB . 19010 1 537 . 1 1 151 151 TYR N N 15 115.904 0.11 . 1 . 1047 . . 131 TYR N . 19010 1 538 . 1 1 152 152 ILE H H 1 9.043 0.01 . 1 . 1051 . . 132 ILE H . 19010 1 539 . 1 1 152 152 ILE C C 13 175.061 0.050 . 1 . 1048 . . 132 ILE C . 19010 1 540 . 1 1 152 152 ILE CA C 13 60.374 0.002 . 1 . 1049 . . 132 ILE CA . 19010 1 541 . 1 1 152 152 ILE CB C 13 42.014 0.20 . 1 . 1050 . . 132 ILE CB . 19010 1 542 . 1 1 152 152 ILE N N 15 122.231 0.042 . 1 . 1052 . . 132 ILE N . 19010 1 543 . 1 1 153 153 VAL H H 1 8.550 0.035 . 1 . 1056 . . 133 VAL H . 19010 1 544 . 1 1 153 153 VAL C C 13 175.033 0.050 . 1 . 1053 . . 133 VAL C . 19010 1 545 . 1 1 153 153 VAL CA C 13 61.429 0.029 . 1 . 1054 . . 133 VAL CA . 19010 1 546 . 1 1 153 153 VAL CB C 13 32.022 0.20 . 1 . 1055 . . 133 VAL CB . 19010 1 547 . 1 1 153 153 VAL N N 15 128.580 0.025 . 1 . 1057 . . 133 VAL N . 19010 1 548 . 1 1 154 154 GLU H H 1 9.358 0.005 . 1 . 1060 . . 134 GLU H . 19010 1 549 . 1 1 154 154 GLU C C 13 175.504 0.050 . 1 . 1058 . . 134 GLU C . 19010 1 550 . 1 1 154 154 GLU CA C 13 54.859 0.080 . 1 . 1059 . . 134 GLU CA . 19010 1 551 . 1 1 154 154 GLU N N 15 127.164 0.076 . 1 . 1061 . . 134 GLU N . 19010 1 552 . 1 1 159 159 PRO CA C 13 63.271 0.080 . 1 . 1062 . . 139 PRO CA . 19010 1 553 . 1 1 159 159 PRO CB C 13 33.461 0.20 . 1 . 1063 . . 139 PRO CB . 19010 1 554 . 1 1 160 160 SER H H 1 8.469 0.006 . 1 . 1067 . . 140 SER H . 19010 1 555 . 1 1 160 160 SER C C 13 175.315 0.050 . 1 . 1064 . . 140 SER C . 19010 1 556 . 1 1 160 160 SER CA C 13 59.362 0.002 . 1 . 1065 . . 140 SER CA . 19010 1 557 . 1 1 160 160 SER CB C 13 62.936 0.20 . 1 . 1066 . . 140 SER CB . 19010 1 558 . 1 1 160 160 SER N N 15 122.290 0.055 . 1 . 1070 . . 140 SER N . 19010 1 559 . 1 1 161 161 LYS H H 1 8.413 0.024 . 1 . 1073 . . 141 LYS H . 19010 1 560 . 1 1 161 161 LYS CA C 13 56.441 0.02 . 1 . 1071 . . 141 LYS CA . 19010 1 561 . 1 1 161 161 LYS CB C 13 32.365 0.20 . 1 . 1072 . . 141 LYS CB . 19010 1 562 . 1 1 161 161 LYS N N 15 123.402 0.112 . 1 . 1074 . . 141 LYS N . 19010 1 563 . 1 1 162 162 SER H H 1 7.871 0.013 . 1 . 1078 . . 142 SER H . 19010 1 564 . 1 1 162 162 SER C C 13 173.178 0.050 . 1 . 1075 . . 142 SER C . 19010 1 565 . 1 1 162 162 SER CA C 13 58.547 0.080 . 1 . 1076 . . 142 SER CA . 19010 1 566 . 1 1 162 162 SER CB C 13 63.441 0.20 . 1 . 1077 . . 142 SER CB . 19010 1 567 . 1 1 162 162 SER N N 15 116.534 0.147 . 1 . 1079 . . 142 SER N . 19010 1 568 . 1 1 163 163 TRP H H 1 8.434 0.008 . 1 . 1083 . . 143 TRP H . 19010 1 569 . 1 1 163 163 TRP C C 13 177.130 0.050 . 1 . 1080 . . 143 TRP C . 19010 1 570 . 1 1 163 163 TRP CA C 13 56.806 0.080 . 1 . 1081 . . 143 TRP CA . 19010 1 571 . 1 1 163 163 TRP CB C 13 30.231 0.20 . 1 . 1082 . . 143 TRP CB . 19010 1 572 . 1 1 163 163 TRP N N 15 125.677 0.021 . 1 . 1084 . . 143 TRP N . 19010 1 573 . 1 1 164 164 MET H H 1 9.240 0.003 . 1 . 1088 . . 144 MET H . 19010 1 574 . 1 1 164 164 MET C C 13 175.806 0.050 . 1 . 1085 . . 144 MET C . 19010 1 575 . 1 1 164 164 MET CA C 13 53.860 0.014 . 1 . 1086 . . 144 MET CA . 19010 1 576 . 1 1 164 164 MET CB C 13 35.897 0.20 . 1 . 1087 . . 144 MET CB . 19010 1 577 . 1 1 164 164 MET N N 15 122.238 0.016 . 1 . 1089 . . 144 MET N . 19010 1 578 . 1 1 165 165 LYS H H 1 8.783 0.0 . 1 . 1092 . . 145 LYS H . 19010 1 579 . 1 1 165 165 LYS C C 13 177.020 0.050 . 1 . 1090 . . 145 LYS C . 19010 1 580 . 1 1 165 165 LYS CA C 13 58.509 0.023 . 1 . 1091 . . 145 LYS CA . 19010 1 581 . 1 1 165 165 LYS N N 15 125.195 0.01 . 1 . 1093 . . 145 LYS N . 19010 1 582 . 1 1 166 166 ALA H H 1 10.035 0.003 . 1 . 1098 . . 146 ALA H . 19010 1 583 . 1 1 166 166 ALA C C 13 177.248 0.050 . 1 . 1095 . . 146 ALA C . 19010 1 584 . 1 1 166 166 ALA CA C 13 52.032 0.011 . 1 . 1096 . . 146 ALA CA . 19010 1 585 . 1 1 166 166 ALA CB C 13 20.362 0.20 . 1 . 1097 . . 146 ALA CB . 19010 1 586 . 1 1 166 166 ALA N N 15 128.765 0.096 . 1 . 1099 . . 146 ALA N . 19010 1 587 . 1 1 167 167 ASN H H 1 8.233 0.018 . 1 . 1103 . . 147 ASN H . 19010 1 588 . 1 1 167 167 ASN C C 13 174.307 0.050 . 1 . 1100 . . 147 ASN C . 19010 1 589 . 1 1 167 167 ASN CA C 13 52.871 0.080 . 1 . 1101 . . 147 ASN CA . 19010 1 590 . 1 1 167 167 ASN CB C 13 39.419 0.20 . 1 . 1102 . . 147 ASN CB . 19010 1 591 . 1 1 167 167 ASN N N 15 113.284 0.03 . 1 . 1104 . . 147 ASN N . 19010 1 592 . 1 1 168 168 HIS C C 13 174.782 0.050 . 1 . 1105 . . 148 HIS C . 19010 1 593 . 1 1 168 168 HIS CA C 13 56.264 0.080 . 1 . 1107 . . 148 HIS CA . 19010 1 594 . 1 1 168 168 HIS CB C 13 29.163 0.20 . 1 . 1108 . . 148 HIS CB . 19010 1 595 . 1 1 169 169 VAL H H 1 7.469 0.005 . 1 . 1112 . . 149 VAL H . 19010 1 596 . 1 1 169 169 VAL C C 13 175.734 0.050 . 1 . 1109 . . 149 VAL C . 19010 1 597 . 1 1 169 169 VAL CA C 13 59.358 0.080 . 1 . 1110 . . 149 VAL CA . 19010 1 598 . 1 1 169 169 VAL CB C 13 34.908 0.20 . 1 . 1111 . . 149 VAL CB . 19010 1 599 . 1 1 169 169 VAL N N 15 113.907 0.006 . 1 . 1114 . . 149 VAL N . 19010 1 600 . 1 1 170 170 ASN H H 1 8.603 0.005 . 1 . 1137 . . 150 ASN H . 19010 1 601 . 1 1 170 170 ASN CA C 13 54.459 0.001 . 1 . 1115 . . 150 ASN CA . 19010 1 602 . 1 1 170 170 ASN CB C 13 38.866 0.20 . 1 . 1116 . . 150 ASN CB . 19010 1 603 . 1 1 170 170 ASN N N 15 121.140 0.120 . 1 . 1141 . . 150 ASN N . 19010 1 604 . 1 1 171 171 VAL H H 1 8.151 0.02 . 1 . 1146 . . 151 VAL H . 19010 1 605 . 1 1 171 171 VAL CA C 13 59.896 0.080 . 1 . 1145 . . 151 VAL CA . 19010 1 606 . 1 1 171 171 VAL N N 15 125.984 0.2 . 1 . 1147 . . 151 VAL N . 19010 1 607 . 1 1 173 173 GLU CA C 13 54.301 0.015 . 1 . 1150 . . 153 GLU CA . 19010 1 608 . 1 1 173 173 GLU CB C 13 31.910 0.20 . 1 . 1151 . . 153 GLU CB . 19010 1 609 . 1 1 174 174 CYS H H 1 7.756 0.008 . 1 . 1155 . . 154 CYS H . 19010 1 610 . 1 1 174 174 CYS C C 13 174.539 0.050 . 1 . 1152 . . 154 CYS C . 19010 1 611 . 1 1 174 174 CYS CA C 13 57.499 0.080 . 1 . 1153 . . 154 CYS CA . 19010 1 612 . 1 1 174 174 CYS CB C 13 24.823 0.20 . 1 . 1154 . . 154 CYS CB . 19010 1 613 . 1 1 174 174 CYS N N 15 118.955 0.091 . 1 . 1156 . . 154 CYS N . 19010 1 614 . 1 1 175 175 ALA H H 1 7.047 0.024 . 1 . 1166 . . 155 ALA H . 19010 1 615 . 1 1 175 175 ALA C C 13 177.263 0.050 . 1 . 1157 . . 155 ALA C . 19010 1 616 . 1 1 175 175 ALA N N 15 123.053 0.145 . 1 . 1167 . . 155 ALA N . 19010 1 617 . 1 1 176 176 PHE H H 1 8.772 0.006 . 1 . 1171 . . 156 PHE H . 19010 1 618 . 1 1 176 176 PHE C C 13 173.721 0.050 . 1 . 1168 . . 156 PHE C . 19010 1 619 . 1 1 176 176 PHE CA C 13 59.331 0.080 . 1 . 1169 . . 156 PHE CA . 19010 1 620 . 1 1 176 176 PHE CB C 13 43.481 0.20 . 1 . 1170 . . 156 PHE CB . 19010 1 621 . 1 1 176 176 PHE N N 15 119.174 0.078 . 1 . 1172 . . 156 PHE N . 19010 1 622 . 1 1 177 177 THR H H 1 7.381 0.024 . 1 . 1190 . . 157 THR H . 19010 1 623 . 1 1 177 177 THR C C 13 172.452 0.050 . 1 . 1173 . . 157 THR C . 19010 1 624 . 1 1 177 177 THR CA C 13 61.855 0.048 . 1 . 1176 . . 157 THR CA . 19010 1 625 . 1 1 177 177 THR CB C 13 69.444 0.20 . 1 . 1177 . . 157 THR CB . 19010 1 626 . 1 1 177 177 THR N N 15 125.030 0.065 . 1 . 1191 . . 157 THR N . 19010 1 627 . 1 1 178 178 VAL H H 1 8.882 0.027 . 1 . 1265 . . 158 VAL H . 19010 1 628 . 1 1 178 178 VAL C C 13 175.723 0.050 . 1 . 1216 . . 158 VAL C . 19010 1 629 . 1 1 178 178 VAL CA C 13 62.104 0.049 . 1 . 1240 . . 158 VAL CA . 19010 1 630 . 1 1 178 178 VAL CB C 13 31.965 0.20 . 1 . 1241 . . 158 VAL CB . 19010 1 631 . 1 1 178 178 VAL N N 15 129.404 0.063 . 1 . 1266 . . 158 VAL N . 19010 1 632 . 1 1 179 179 THR H H 1 7.828 0.024 . 1 . 1301 . . 159 THR H . 19010 1 633 . 1 1 179 179 THR C C 13 173.827 0.050 . 1 . 1270 . . 159 THR C . 19010 1 634 . 1 1 179 179 THR CA C 13 60.096 0.080 . 1 . 1282 . . 159 THR CA . 19010 1 635 . 1 1 179 179 THR CB C 13 70.863 0.20 . 1 . 1297 . . 159 THR CB . 19010 1 636 . 1 1 179 179 THR N N 15 116.918 0.119 . 1 . 1321 . . 159 THR N . 19010 1 637 . 1 1 180 180 ASP H H 1 8.736 0.012 . 1 . 1408 . . 160 ASP H . 19010 1 638 . 1 1 180 180 ASP C C 13 176.102 0.050 . 1 . 1354 . . 160 ASP C . 19010 1 639 . 1 1 180 180 ASP CA C 13 55.621 0.118 . 1 . 1357 . . 160 ASP CA . 19010 1 640 . 1 1 180 180 ASP CB C 13 38.983 0.20 . 1 . 1407 . . 160 ASP CB . 19010 1 641 . 1 1 180 180 ASP N N 15 114.354 0.052 . 1 . 1409 . . 160 ASP N . 19010 1 642 . 1 1 181 181 LEU H H 1 7.809 0.01 . 1 . 1461 . . 161 LEU H . 19010 1 643 . 1 1 181 181 LEU C C 13 176.285 0.050 . 1 . 1414 . . 161 LEU C . 19010 1 644 . 1 1 181 181 LEU CA C 13 53.670 0.080 . 1 . 1420 . . 161 LEU CA . 19010 1 645 . 1 1 181 181 LEU CB C 13 40.913 0.20 . 1 . 1458 . . 161 LEU CB . 19010 1 646 . 1 1 181 181 LEU N N 15 118.460 0.163 . 1 . 1470 . . 161 LEU N . 19010 1 647 . 1 1 182 182 VAL H H 1 8.087 0.022 . 1 . 1505 . . 162 VAL H . 19010 1 648 . 1 1 182 182 VAL C C 13 176.230 0.050 . 1 . 1476 . . 162 VAL C . 19010 1 649 . 1 1 182 182 VAL CA C 13 61.986 0.080 . 1 . 1502 . . 162 VAL CA . 19010 1 650 . 1 1 182 182 VAL CB C 13 33.604 0.20 . 1 . 1503 . . 162 VAL CB . 19010 1 651 . 1 1 182 182 VAL N N 15 120.256 0.105 . 1 . 1561 . . 162 VAL N . 19010 1 652 . 1 1 183 183 GLU H H 1 8.376 0.003 . 1 . 1591 . . 163 GLU H . 19010 1 653 . 1 1 183 183 GLU C C 13 179.008 0.050 . 1 . 1569 . . 163 GLU C . 19010 1 654 . 1 1 183 183 GLU CA C 13 58.348 0.080 . 1 . 1590 . . 163 GLU CA . 19010 1 655 . 1 1 183 183 GLU N N 15 129.870 0.041 . 1 . 1592 . . 163 GLU N . 19010 1 656 . 1 1 185 185 GLY C C 13 171.228 0.050 . 1 . 1619 . . 165 GLY C . 19010 1 657 . 1 1 185 185 GLY CA C 13 45.276 0.080 . 1 . 1620 . . 165 GLY CA . 19010 1 658 . 1 1 186 186 LYS H H 1 7.198 0.01 . 1 . 1661 . . 166 LYS H . 19010 1 659 . 1 1 186 186 LYS C C 13 174.387 0.050 . 1 . 1629 . . 166 LYS C . 19010 1 660 . 1 1 186 186 LYS CA C 13 54.652 0.080 . 1 . 1652 . . 166 LYS CA . 19010 1 661 . 1 1 186 186 LYS N N 15 120.102 0.079 . 1 . 1664 . . 166 LYS N . 19010 1 662 . 1 1 187 187 TYR H H 1 8.551 0.006 . 1 . 1710 . . 167 TYR H . 19010 1 663 . 1 1 187 187 TYR C C 13 176.059 0.050 . 1 . 1673 . . 167 TYR C . 19010 1 664 . 1 1 187 187 TYR CA C 13 51.766 0.080 . 1 . 1690 . . 167 TYR CA . 19010 1 665 . 1 1 187 187 TYR CB C 13 38.482 0.20 . 1 . 1709 . . 167 TYR CB . 19010 1 666 . 1 1 187 187 TYR N N 15 127.347 0.044 . 1 . 1737 . . 167 TYR N . 19010 1 667 . 1 1 188 188 GLU H H 1 7.647 0.006 . 1 . 1773 . . 168 GLU H . 19010 1 668 . 1 1 188 188 GLU CA C 13 56.809 0.080 . 1 . 1772 . . 168 GLU CA . 19010 1 669 . 1 1 188 188 GLU N N 15 126.881 0.02 . 1 . 1779 . . 168 GLU N . 19010 1 670 . 1 1 189 189 PHE C C 13 174.796 0.050 . 1 . 1780 . . 169 PHE C . 19010 1 671 . 1 1 189 189 PHE CA C 13 57.015 0.080 . 1 . 1781 . . 169 PHE CA . 19010 1 672 . 1 1 189 189 PHE CB C 13 43.864 0.20 . 1 . 1782 . . 169 PHE CB . 19010 1 673 . 1 1 190 190 ARG H H 1 9.166 0.008 . 1 . 1821 . . 170 ARG H . 19010 1 674 . 1 1 190 190 ARG C C 13 171.819 0.050 . 1 . 1783 . . 170 ARG C . 19010 1 675 . 1 1 190 190 ARG CA C 13 55.582 0.080 . 1 . 1797 . . 170 ARG CA . 19010 1 676 . 1 1 190 190 ARG CB C 13 31.400 0.20 . 1 . 1813 . . 170 ARG CB . 19010 1 677 . 1 1 190 190 ARG N N 15 117.413 0.03 . 1 . 1835 . . 170 ARG N . 19010 1 678 . 1 1 191 191 ILE C C 13 176.857 0.050 . 1 . 1852 . . 171 ILE C . 19010 1 679 . 1 1 191 191 ILE CA C 13 57.978 0.080 . 1 . 1853 . . 171 ILE CA . 19010 1 680 . 1 1 191 191 ILE CB C 13 39.361 0.20 . 1 . 1854 . . 171 ILE CB . 19010 1 681 . 1 1 192 192 ARG H H 1 9.110 0.011 . 1 . 1876 . . 172 ARG H . 19010 1 682 . 1 1 192 192 ARG C C 13 174.846 0.050 . 1 . 1855 . . 172 ARG C . 19010 1 683 . 1 1 192 192 ARG CA C 13 54.338 0.080 . 1 . 1870 . . 172 ARG CA . 19010 1 684 . 1 1 192 192 ARG CB C 13 34.424 0.20 . 1 . 1871 . . 172 ARG CB . 19010 1 685 . 1 1 192 192 ARG N N 15 122.500 0.052 . 1 . 1877 . . 172 ARG N . 19010 1 686 . 1 1 193 193 ALA H H 1 8.931 0.011 . 1 . 1920 . . 173 ALA H . 19010 1 687 . 1 1 193 193 ALA C C 13 174.829 0.050 . 1 . 1899 . . 173 ALA C . 19010 1 688 . 1 1 193 193 ALA CA C 13 50.615 0.198 . 1 . 1916 . . 173 ALA CA . 19010 1 689 . 1 1 193 193 ALA N N 15 124.298 0.035 . 1 . 1921 . . 173 ALA N . 19010 1 690 . 1 1 194 194 LYS H H 1 8.081 0.005 . 1 . 2033 . . 174 LYS H . 19010 1 691 . 1 1 194 194 LYS C C 13 176.163 0.050 . 1 . 1925 . . 174 LYS C . 19010 1 692 . 1 1 194 194 LYS CA C 13 54.836 0.080 . 1 . 1948 . . 174 LYS CA . 19010 1 693 . 1 1 194 194 LYS CB C 13 35.939 0.20 . 1 . 1949 . . 174 LYS CB . 19010 1 694 . 1 1 194 194 LYS N N 15 119.663 0.031 . 1 . 2034 . . 174 LYS N . 19010 1 695 . 1 1 195 195 ASN H H 1 7.840 0.012 . 1 . 2039 . . 175 ASN H . 19010 1 696 . 1 1 195 195 ASN C C 13 179.333 0.050 . 1 . 2035 . . 175 ASN C . 19010 1 697 . 1 1 195 195 ASN CA C 13 51.331 0.009 . 1 . 2036 . . 175 ASN CA . 19010 1 698 . 1 1 195 195 ASN CB C 13 42.478 0.20 . 1 . 2037 . . 175 ASN CB . 19010 1 699 . 1 1 195 195 ASN N N 15 118.932 0.048 . 1 . 2040 . . 175 ASN N . 19010 1 700 . 1 1 196 196 THR H H 1 8.460 0.035 . 1 . 2044 . . 176 THR H . 19010 1 701 . 1 1 196 196 THR C C 13 175.732 0.050 . 1 . 2041 . . 176 THR C . 19010 1 702 . 1 1 196 196 THR CA C 13 64.648 0.024 . 1 . 2042 . . 176 THR CA . 19010 1 703 . 1 1 196 196 THR CB C 13 69.392 0.20 . 1 . 2043 . . 176 THR CB . 19010 1 704 . 1 1 196 196 THR N N 15 111.073 0.194 . 1 . 2045 . . 176 THR N . 19010 1 705 . 1 1 197 197 ALA H H 1 6.946 0.022 . 1 . 2051 . . 177 ALA H . 19010 1 706 . 1 1 197 197 ALA C C 13 177.546 0.050 . 1 . 2046 . . 177 ALA C . 19010 1 707 . 1 1 197 197 ALA CA C 13 52.147 0.089 . 1 . 2047 . . 177 ALA CA . 19010 1 708 . 1 1 197 197 ALA CB C 13 17.817 0.20 . 1 . 2049 . . 177 ALA CB . 19010 1 709 . 1 1 197 197 ALA N N 15 123.189 0.095 . 1 . 2052 . . 177 ALA N . 19010 1 710 . 1 1 198 198 GLY CA C 13 44.387 0.080 . 1 . 2053 . . 178 GLY CA . 19010 1 711 . 1 1 199 199 ALA H H 1 7.308 0.024 . 1 . 2057 . . 179 ALA H . 19010 1 712 . 1 1 199 199 ALA C C 13 176.026 0.050 . 1 . 2054 . . 179 ALA C . 19010 1 713 . 1 1 199 199 ALA CA C 13 52.380 0.059 . 1 . 2055 . . 179 ALA CA . 19010 1 714 . 1 1 199 199 ALA CB C 13 18.962 0.20 . 1 . 2056 . . 179 ALA CB . 19010 1 715 . 1 1 199 199 ALA N N 15 124.027 0.156 . 1 . 2058 . . 179 ALA N . 19010 1 716 . 1 1 200 200 ILE H H 1 8.048 0.004 . 1 . 2064 . . 180 ILE H . 19010 1 717 . 1 1 200 200 ILE C C 13 178.245 0.050 . 1 . 2059 . . 180 ILE C . 19010 1 718 . 1 1 200 200 ILE CA C 13 59.724 0.039 . 1 . 2060 . . 180 ILE CA . 19010 1 719 . 1 1 200 200 ILE CB C 13 41.018 0.20 . 1 . 2062 . . 180 ILE CB . 19010 1 720 . 1 1 200 200 ILE N N 15 119.391 0.058 . 1 . 2065 . . 180 ILE N . 19010 1 721 . 1 1 201 201 SER H H 1 9.582 0.006 . 1 . 2070 . . 181 SER H . 19010 1 722 . 1 1 201 201 SER C C 13 174.559 0.050 . 1 . 2066 . . 181 SER C . 19010 1 723 . 1 1 201 201 SER CA C 13 58.996 0.017 . 1 . 2067 . . 181 SER CA . 19010 1 724 . 1 1 201 201 SER CB C 13 66.378 0.20 . 1 . 2069 . . 181 SER CB . 19010 1 725 . 1 1 201 201 SER N N 15 126.309 0.055 . 1 . 2071 . . 181 SER N . 19010 1 726 . 1 1 202 202 ALA H H 1 8.602 0.008 . 1 . 2078 . . 182 ALA H . 19010 1 727 . 1 1 202 202 ALA C C 13 175.790 0.050 . 1 . 2073 . . 182 ALA C . 19010 1 728 . 1 1 202 202 ALA CA C 13 51.838 0.064 . 1 . 2074 . . 182 ALA CA . 19010 1 729 . 1 1 202 202 ALA CB C 13 16.838 0.20 . 1 . 2077 . . 182 ALA CB . 19010 1 730 . 1 1 202 202 ALA N N 15 123.341 0.029 . 1 . 2079 . . 182 ALA N . 19010 1 731 . 1 1 203 203 PRO CA C 13 62.545 0.080 . 1 . 2080 . . 183 PRO CA . 19010 1 732 . 1 1 204 204 SER H H 1 8.822 0.005 . 1 . 2085 . . 184 SER H . 19010 1 733 . 1 1 204 204 SER C C 13 174.726 0.050 . 1 . 2081 . . 184 SER C . 19010 1 734 . 1 1 204 204 SER CA C 13 58.307 0.080 . 1 . 2082 . . 184 SER CA . 19010 1 735 . 1 1 204 204 SER CB C 13 67.092 0.20 . 1 . 2084 . . 184 SER CB . 19010 1 736 . 1 1 204 204 SER N N 15 115.415 0.087 . 1 . 2086 . . 184 SER N . 19010 1 737 . 1 1 205 205 GLU H H 1 8.587 0.005 . 1 . 2090 . . 185 GLU H . 19010 1 738 . 1 1 205 205 GLU C C 13 177.642 0.050 . 1 . 2087 . . 185 GLU C . 19010 1 739 . 1 1 205 205 GLU CA C 13 58.173 0.080 . 1 . 2088 . . 185 GLU CA . 19010 1 740 . 1 1 205 205 GLU CB C 13 30.772 0.20 . 1 . 2089 . . 185 GLU CB . 19010 1 741 . 1 1 205 205 GLU N N 15 119.929 0.120 . 1 . 2091 . . 185 GLU N . 19010 1 742 . 1 1 206 206 SER H H 1 8.594 0.009 . 1 . 2095 . . 186 SER H . 19010 1 743 . 1 1 206 206 SER C C 13 176.889 0.050 . 1 . 2092 . . 186 SER C . 19010 1 744 . 1 1 206 206 SER CA C 13 57.771 0.001 . 1 . 2093 . . 186 SER CA . 19010 1 745 . 1 1 206 206 SER CB C 13 65.840 0.20 . 1 . 2094 . . 186 SER CB . 19010 1 746 . 1 1 206 206 SER N N 15 119.932 0.023 . 1 . 2096 . . 186 SER N . 19010 1 747 . 1 1 211 211 ILE C C 13 177.616 0.050 . 1 . 2097 . . 191 ILE C . 19010 1 748 . 1 1 211 211 ILE CA C 13 59.337 0.080 . 1 . 2099 . . 191 ILE CA . 19010 1 749 . 1 1 212 212 CYS H H 1 8.172 0.004 . 1 . 2103 . . 192 CYS H . 19010 1 750 . 1 1 212 212 CYS C C 13 174.944 0.050 . 1 . 2100 . . 192 CYS C . 19010 1 751 . 1 1 212 212 CYS CA C 13 63.414 0.094 . 1 . 2101 . . 192 CYS CA . 19010 1 752 . 1 1 212 212 CYS CB C 13 27.368 0.20 . 1 . 2102 . . 192 CYS CB . 19010 1 753 . 1 1 212 212 CYS N N 15 126.556 0.06 . 1 . 2104 . . 192 CYS N . 19010 1 754 . 1 1 213 213 LYS H H 1 6.995 0.015 . 1 . 2112 . . 193 LYS H . 19010 1 755 . 1 1 213 213 LYS C C 13 174.598 0.050 . 1 . 2105 . . 193 LYS C . 19010 1 756 . 1 1 213 213 LYS CA C 13 55.341 0.080 . 1 . 2107 . . 193 LYS CA . 19010 1 757 . 1 1 213 213 LYS CB C 13 34.890 0.20 . 1 . 2110 . . 193 LYS CB . 19010 1 758 . 1 1 213 213 LYS N N 15 125.167 0.106 . 1 . 2113 . . 193 LYS N . 19010 1 759 . 1 1 214 214 ASP H H 1 8.732 0.007 . 1 . 2117 . . 194 ASP H . 19010 1 760 . 1 1 214 214 ASP C C 13 176.910 0.050 . 1 . 2114 . . 194 ASP C . 19010 1 761 . 1 1 214 214 ASP CA C 13 54.704 0.065 . 1 . 2115 . . 194 ASP CA . 19010 1 762 . 1 1 214 214 ASP CB C 13 41.482 0.20 . 1 . 2116 . . 194 ASP CB . 19010 1 763 . 1 1 214 214 ASP N N 15 121.577 0.024 . 1 . 2118 . . 194 ASP N . 19010 1 764 . 1 1 215 215 GLU H H 1 8.534 0.006 . 1 . 2122 . . 195 GLU H . 19010 1 765 . 1 1 215 215 GLU C C 13 176.501 0.050 . 1 . 2119 . . 195 GLU C . 19010 1 766 . 1 1 215 215 GLU CA C 13 56.960 0.026 . 1 . 2120 . . 195 GLU CA . 19010 1 767 . 1 1 215 215 GLU CB C 13 30.132 0.20 . 1 . 2121 . . 195 GLU CB . 19010 1 768 . 1 1 215 215 GLU N N 15 122.666 0.033 . 1 . 2124 . . 195 GLU N . 19010 1 769 . 1 1 216 216 TYR H H 1 8.173 0.006 . 1 . 2130 . . 196 TYR H . 19010 1 770 . 1 1 216 216 TYR C C 13 175.924 0.050 . 1 . 2125 . . 196 TYR C . 19010 1 771 . 1 1 216 216 TYR CA C 13 57.759 0.008 . 1 . 2126 . . 196 TYR CA . 19010 1 772 . 1 1 216 216 TYR CB C 13 38.508 0.20 . 1 . 2127 . . 196 TYR CB . 19010 1 773 . 1 1 216 216 TYR N N 15 121.745 0.051 . 1 . 2131 . . 196 TYR N . 19010 1 774 . 1 1 217 217 GLU H H 1 8.155 0.006 . 1 . 2136 . . 197 GLU H . 19010 1 775 . 1 1 217 217 GLU C C 13 175.281 0.050 . 1 . 2132 . . 197 GLU C . 19010 1 776 . 1 1 217 217 GLU CA C 13 56.413 0.047 . 1 . 2133 . . 197 GLU CA . 19010 1 777 . 1 1 217 217 GLU CB C 13 30.385 0.20 . 1 . 2134 . . 197 GLU CB . 19010 1 778 . 1 1 217 217 GLU N N 15 124.564 0.046 . 1 . 2137 . . 197 GLU N . 19010 1 779 . 1 1 218 218 ALA H H 1 7.892 0.005 . 1 . 2141 . . 198 ALA H . 19010 1 780 . 1 1 218 218 ALA C C 13 177.974 0.050 . 1 . 2138 . . 198 ALA C . 19010 1 781 . 1 1 218 218 ALA CA C 13 53.752 0.20 . 1 . 2139 . . 198 ALA CA . 19010 1 782 . 1 1 218 218 ALA CB C 13 19.871 0.20 . 1 . 2140 . . 198 ALA CB . 19010 1 783 . 1 1 218 218 ALA N N 15 132.207 0.048 . 1 . 2142 . . 198 ALA N . 19010 1 stop_ save_