################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27404 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 'TROSY offset: amide protons; amide nitrogens.' _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 TROSY' . . . 27404 1 2 '3D TROSY-HNCA' . . . 27404 1 3 '3D TROSY-HN(CO)CA' . . . 27404 1 4 '3D TROSY-HNCACB' . . . 27404 1 5 '3D TROSY-HN(CO)CACB' . . . 27404 1 6 '3D TROSY-HN(CA)CO' . . . 27404 1 7 '3D TROSY-HNCO' . . . 27404 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 27404 1 2 $Felix . . 27404 1 3 $CCPN_Analysis . . 27404 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.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 7 7 LYS H H 1 8.072 0.005 . 1 . . . . . 8 LYS H . 27404 1 2 . 1 1 7 7 LYS CA C 13 58.354 0.018 . 1 . . . . . 8 LYS CA . 27404 1 3 . 1 1 7 7 LYS CB C 13 31.074 0.148 . 1 . . . . . 8 LYS CB . 27404 1 4 . 1 1 7 7 LYS N N 15 120.496 0.147 . 1 . . . . . 8 LYS N . 27404 1 5 . 1 1 8 8 LEU H H 1 7.865 0.005 . 1 . . . . . 9 LEU H . 27404 1 6 . 1 1 8 8 LEU CA C 13 57.869 0.021 . 1 . . . . . 9 LEU CA . 27404 1 7 . 1 1 8 8 LEU CB C 13 41.355 0.000 . 1 . . . . . 9 LEU CB . 27404 1 8 . 1 1 8 8 LEU N N 15 120.637 0.043 . 1 . . . . . 9 LEU N . 27404 1 9 . 1 1 9 9 ILE H H 1 8.537 0.004 . 1 . . . . . 10 ILE H . 27404 1 10 . 1 1 9 9 ILE CA C 13 64.625 0.024 . 1 . . . . . 10 ILE CA . 27404 1 11 . 1 1 9 9 ILE CB C 13 36.767 0.000 . 1 . . . . . 10 ILE CB . 27404 1 12 . 1 1 9 9 ILE N N 15 118.523 0.100 . 1 . . . . . 10 ILE N . 27404 1 13 . 1 1 10 10 ALA H H 1 7.639 0.004 . 1 . . . . . 11 ALA H . 27404 1 14 . 1 1 10 10 ALA C C 13 178.345 0.014 . 1 . . . . . 11 ALA C . 27404 1 15 . 1 1 10 10 ALA CA C 13 54.855 0.013 . 1 . . . . . 11 ALA CA . 27404 1 16 . 1 1 10 10 ALA CB C 13 17.170 0.000 . 1 . . . . . 11 ALA CB . 27404 1 17 . 1 1 10 10 ALA N N 15 120.371 0.082 . 1 . . . . . 11 ALA N . 27404 1 18 . 1 1 11 11 ASP H H 1 7.858 0.006 . 1 . . . . . 12 ASP H . 27404 1 19 . 1 1 11 11 ASP CA C 13 56.340 0.039 . 1 . . . . . 12 ASP CA . 27404 1 20 . 1 1 11 11 ASP CB C 13 41.553 0.000 . 1 . . . . . 12 ASP CB . 27404 1 21 . 1 1 11 11 ASP N N 15 116.420 0.163 . 1 . . . . . 12 ASP N . 27404 1 22 . 1 1 12 12 VAL H H 1 8.501 0.002 . 1 . . . . . 13 VAL H . 27404 1 23 . 1 1 12 12 VAL CA C 13 61.541 0.005 . 1 . . . . . 13 VAL CA . 27404 1 24 . 1 1 12 12 VAL N N 15 112.341 0.094 . 1 . . . . . 13 VAL N . 27404 1 25 . 1 1 13 13 ALA H H 1 8.832 0.002 . 1 . . . . . 14 ALA H . 27404 1 26 . 1 1 13 13 ALA CA C 13 49.760 0.000 . 1 . . . . . 14 ALA CA . 27404 1 27 . 1 1 13 13 ALA CB C 13 18.746 0.000 . 1 . . . . . 14 ALA CB . 27404 1 28 . 1 1 13 13 ALA N N 15 125.494 0.132 . 1 . . . . . 14 ALA N . 27404 1 29 . 1 1 15 15 SER H H 1 8.132 0.003 . 1 . . . . . 16 SER H . 27404 1 30 . 1 1 15 15 SER CA C 13 59.799 0.006 . 1 . . . . . 16 SER CA . 27404 1 31 . 1 1 15 15 SER CB C 13 61.977 0.082 . 1 . . . . . 16 SER CB . 27404 1 32 . 1 1 15 15 SER N N 15 113.241 0.089 . 1 . . . . . 16 SER N . 27404 1 33 . 1 1 16 16 ALA H H 1 8.343 0.002 . 1 . . . . . 17 ALA H . 27404 1 34 . 1 1 16 16 ALA CA C 13 52.315 0.053 . 1 . . . . . 17 ALA CA . 27404 1 35 . 1 1 16 16 ALA CB C 13 20.440 0.100 . 1 . . . . . 17 ALA CB . 27404 1 36 . 1 1 16 16 ALA N N 15 124.238 0.056 . 1 . . . . . 17 ALA N . 27404 1 37 . 1 1 17 17 ILE H H 1 7.308 0.003 . 1 . . . . . 18 ILE H . 27404 1 38 . 1 1 17 17 ILE CA C 13 59.394 0.005 . 1 . . . . . 18 ILE CA . 27404 1 39 . 1 1 17 17 ILE CB C 13 38.637 0.037 . 1 . . . . . 18 ILE CB . 27404 1 40 . 1 1 17 17 ILE N N 15 117.733 0.091 . 1 . . . . . 18 ILE N . 27404 1 41 . 1 1 18 18 ARG H H 1 8.853 0.002 . 1 . . . . . 19 ARG H . 27404 1 42 . 1 1 18 18 ARG C C 13 174.641 0.013 . 1 . . . . . 19 ARG C . 27404 1 43 . 1 1 18 18 ARG CA C 13 53.514 0.023 . 1 . . . . . 19 ARG CA . 27404 1 44 . 1 1 18 18 ARG CB C 13 32.164 0.030 . 1 . . . . . 19 ARG CB . 27404 1 45 . 1 1 18 18 ARG N N 15 126.227 0.053 . 1 . . . . . 19 ARG N . 27404 1 46 . 1 1 19 19 GLU H H 1 8.363 0.004 . 1 . . . . . 20 GLU H . 27404 1 47 . 1 1 19 19 GLU C C 13 175.830 0.020 . 1 . . . . . 20 GLU C . 27404 1 48 . 1 1 19 19 GLU CA C 13 54.371 0.021 . 1 . . . . . 20 GLU CA . 27404 1 49 . 1 1 19 19 GLU CB C 13 30.259 0.064 . 1 . . . . . 20 GLU CB . 27404 1 50 . 1 1 19 19 GLU N N 15 123.138 0.050 . 1 . . . . . 20 GLU N . 27404 1 51 . 1 1 20 20 ASN H H 1 8.800 0.003 . 1 . . . . . 21 ASN H . 27404 1 52 . 1 1 20 20 ASN C C 13 173.895 0.001 . 1 . . . . . 21 ASN C . 27404 1 53 . 1 1 20 20 ASN CA C 13 51.365 0.075 . 1 . . . . . 21 ASN CA . 27404 1 54 . 1 1 20 20 ASN CB C 13 43.140 0.083 . 1 . . . . . 21 ASN CB . 27404 1 55 . 1 1 20 20 ASN N N 15 122.130 0.077 . 1 . . . . . 21 ASN N . 27404 1 56 . 1 1 21 21 ASP H H 1 8.493 0.004 . 1 . . . . . 22 ASP H . 27404 1 57 . 1 1 21 21 ASP CA C 13 53.071 0.015 . 1 . . . . . 22 ASP CA . 27404 1 58 . 1 1 21 21 ASP CB C 13 42.895 0.000 . 1 . . . . . 22 ASP CB . 27404 1 59 . 1 1 21 21 ASP N N 15 119.995 0.086 . 1 . . . . . 22 ASP N . 27404 1 60 . 1 1 24 24 SER H H 1 7.810 0.003 . 1 . . . . . 25 SER H . 27404 1 61 . 1 1 24 24 SER CA C 13 60.342 0.038 . 1 . . . . . 25 SER CA . 27404 1 62 . 1 1 24 24 SER CB C 13 62.648 0.142 . 1 . . . . . 25 SER CB . 27404 1 63 . 1 1 24 24 SER N N 15 115.267 0.041 . 1 . . . . . 25 SER N . 27404 1 64 . 1 1 25 25 TYR H H 1 7.672 0.002 . 1 . . . . . 26 TYR H . 27404 1 65 . 1 1 25 25 TYR CA C 13 58.284 0.005 . 1 . . . . . 26 TYR CA . 27404 1 66 . 1 1 25 25 TYR CB C 13 37.320 0.099 . 1 . . . . . 26 TYR CB . 27404 1 67 . 1 1 25 25 TYR N N 15 119.162 0.096 . 1 . . . . . 26 TYR N . 27404 1 68 . 1 1 26 26 PHE H H 1 7.044 0.005 . 1 . . . . . 27 PHE H . 27404 1 69 . 1 1 26 26 PHE C C 13 177.183 0.015 . 1 . . . . . 27 PHE C . 27404 1 70 . 1 1 26 26 PHE CA C 13 60.544 0.001 . 1 . . . . . 27 PHE CA . 27404 1 71 . 1 1 26 26 PHE CB C 13 38.327 0.069 . 1 . . . . . 27 PHE CB . 27404 1 72 . 1 1 26 26 PHE N N 15 120.969 0.051 . 1 . . . . . 27 PHE N . 27404 1 73 . 1 1 27 27 GLY H H 1 8.407 0.001 . 1 . . . . . 28 GLY H . 27404 1 74 . 1 1 27 27 GLY C C 13 174.309 0.004 . 1 . . . . . 28 GLY C . 27404 1 75 . 1 1 27 27 GLY CA C 13 44.610 0.029 . 1 . . . . . 28 GLY CA . 27404 1 76 . 1 1 27 27 GLY N N 15 117.881 0.110 . 1 . . . . . 28 GLY N . 27404 1 77 . 1 1 28 28 ARG H H 1 7.930 0.003 . 1 . . . . . 29 ARG H . 27404 1 78 . 1 1 28 28 ARG C C 13 175.017 0.018 . 1 . . . . . 29 ARG C . 27404 1 79 . 1 1 28 28 ARG CA C 13 54.056 0.041 . 1 . . . . . 29 ARG CA . 27404 1 80 . 1 1 28 28 ARG CB C 13 29.695 0.048 . 1 . . . . . 29 ARG CB . 27404 1 81 . 1 1 28 28 ARG N N 15 119.232 0.093 . 1 . . . . . 29 ARG N . 27404 1 82 . 1 1 29 29 LYS H H 1 8.469 0.002 . 1 . . . . . 30 LYS H . 27404 1 83 . 1 1 29 29 LYS CA C 13 54.187 0.000 . 1 . . . . . 30 LYS CA . 27404 1 84 . 1 1 29 29 LYS CB C 13 34.188 0.000 . 1 . . . . . 30 LYS CB . 27404 1 85 . 1 1 29 29 LYS N N 15 121.603 0.064 . 1 . . . . . 30 LYS N . 27404 1 86 . 1 1 85 85 ASP H H 1 9.044 0.004 . 1 . . . . . 86 ASP H . 27404 1 87 . 1 1 85 85 ASP CA C 13 55.253 0.030 . 1 . . . . . 86 ASP CA . 27404 1 88 . 1 1 85 85 ASP CB C 13 42.258 0.180 . 1 . . . . . 86 ASP CB . 27404 1 89 . 1 1 85 85 ASP N N 15 122.231 0.054 . 1 . . . . . 86 ASP N . 27404 1 90 . 1 1 86 86 GLY H H 1 8.599 0.002 . 1 . . . . . 87 GLY H . 27404 1 91 . 1 1 86 86 GLY C C 13 173.729 0.001 . 1 . . . . . 87 GLY C . 27404 1 92 . 1 1 86 86 GLY CA C 13 44.183 0.009 . 1 . . . . . 87 GLY CA . 27404 1 93 . 1 1 86 86 GLY N N 15 112.721 0.041 . 1 . . . . . 87 GLY N . 27404 1 94 . 1 1 87 87 LYS H H 1 7.640 0.003 . 1 . . . . . 88 LYS H . 27404 1 95 . 1 1 87 87 LYS C C 13 174.288 0.000 . 1 . . . . . 88 LYS C . 27404 1 96 . 1 1 87 87 LYS CA C 13 53.938 0.000 . 1 . . . . . 88 LYS CA . 27404 1 97 . 1 1 87 87 LYS CB C 13 31.568 0.000 . 1 . . . . . 88 LYS CB . 27404 1 98 . 1 1 87 87 LYS N N 15 128.128 0.054 . 1 . . . . . 88 LYS N . 27404 1 99 . 1 1 106 106 ALA H H 1 7.953 0.002 . 1 . . . . . 107 ALA H . 27404 1 100 . 1 1 106 106 ALA CA C 13 54.661 0.037 . 1 . . . . . 107 ALA CA . 27404 1 101 . 1 1 106 106 ALA CB C 13 17.185 0.053 . 1 . . . . . 107 ALA CB . 27404 1 102 . 1 1 106 106 ALA N N 15 123.068 0.101 . 1 . . . . . 107 ALA N . 27404 1 103 . 1 1 107 107 GLU H H 1 8.312 0.007 . 1 . . . . . 108 GLU H . 27404 1 104 . 1 1 107 107 GLU N N 15 119.112 0.144 . 1 . . . . . 108 GLU N . 27404 1 105 . 1 1 145 145 SER H H 1 8.298 0.008 . 1 . . . . . 146 SER H . 27404 1 106 . 1 1 145 145 SER CA C 13 61.139 0.000 . 1 . . . . . 146 SER CA . 27404 1 107 . 1 1 145 145 SER CB C 13 62.420 0.000 . 1 . . . . . 146 SER CB . 27404 1 108 . 1 1 145 145 SER N N 15 114.887 0.126 . 1 . . . . . 146 SER N . 27404 1 109 . 1 1 148 148 GLY H H 1 7.561 0.003 . 1 . . . . . 149 GLY H . 27404 1 110 . 1 1 148 148 GLY C C 13 173.882 0.000 . 1 . . . . . 149 GLY C . 27404 1 111 . 1 1 148 148 GLY CA C 13 45.167 0.056 . 1 . . . . . 149 GLY CA . 27404 1 112 . 1 1 148 148 GLY N N 15 105.981 0.044 . 1 . . . . . 149 GLY N . 27404 1 113 . 1 1 151 151 TYR H H 1 7.369 0.002 . 1 . . . . . 152 TYR H . 27404 1 114 . 1 1 151 151 TYR C C 13 173.611 0.032 . 1 . . . . . 152 TYR C . 27404 1 115 . 1 1 151 151 TYR CA C 13 54.620 0.012 . 1 . . . . . 152 TYR CA . 27404 1 116 . 1 1 151 151 TYR CB C 13 41.779 0.000 . 1 . . . . . 152 TYR CB . 27404 1 117 . 1 1 151 151 TYR N N 15 113.473 0.078 . 1 . . . . . 152 TYR N . 27404 1 118 . 1 1 152 152 LEU H H 1 9.116 0.004 . 1 . . . . . 153 LEU H . 27404 1 119 . 1 1 152 152 LEU CA C 13 52.348 0.055 . 1 . . . . . 153 LEU CA . 27404 1 120 . 1 1 152 152 LEU N N 15 119.853 0.031 . 1 . . . . . 153 LEU N . 27404 1 121 . 1 1 153 153 ASP H H 1 8.770 0.002 . 1 . . . . . 154 ASP H . 27404 1 122 . 1 1 153 153 ASP CA C 13 53.503 0.027 . 1 . . . . . 154 ASP CA . 27404 1 123 . 1 1 153 153 ASP CB C 13 41.068 0.081 . 1 . . . . . 154 ASP CB . 27404 1 124 . 1 1 153 153 ASP N N 15 123.746 0.053 . 1 . . . . . 154 ASP N . 27404 1 125 . 1 1 154 154 ALA H H 1 8.949 0.004 . 1 . . . . . 155 ALA H . 27404 1 126 . 1 1 154 154 ALA CA C 13 49.597 0.008 . 1 . . . . . 155 ALA CA . 27404 1 127 . 1 1 154 154 ALA CB C 13 17.422 0.000 . 1 . . . . . 155 ALA CB . 27404 1 128 . 1 1 154 154 ALA N N 15 127.580 0.064 . 1 . . . . . 155 ALA N . 27404 1 129 . 1 1 156 156 SER H H 1 6.513 0.006 . 1 . . . . . 157 SER H . 27404 1 130 . 1 1 156 156 SER CA C 13 55.676 0.022 . 1 . . . . . 157 SER CA . 27404 1 131 . 1 1 156 156 SER CB C 13 61.697 0.022 . 1 . . . . . 157 SER CB . 27404 1 132 . 1 1 156 156 SER N N 15 114.061 0.094 . 1 . . . . . 157 SER N . 27404 1 133 . 1 1 157 157 GLU H H 1 8.194 0.004 . 1 . . . . . 158 GLU H . 27404 1 134 . 1 1 157 157 GLU CA C 13 56.025 0.000 . 1 . . . . . 158 GLU CA . 27404 1 135 . 1 1 157 157 GLU N N 15 124.356 0.108 . 1 . . . . . 158 GLU N . 27404 1 136 . 1 1 163 163 ALA H H 1 7.419 0.004 . 1 . . . . . 164 ALA H . 27404 1 137 . 1 1 163 163 ALA C C 13 178.780 0.013 . 1 . . . . . 164 ALA C . 27404 1 138 . 1 1 163 163 ALA CA C 13 54.848 0.038 . 1 . . . . . 164 ALA CA . 27404 1 139 . 1 1 163 163 ALA CB C 13 17.692 0.129 . 1 . . . . . 164 ALA CB . 27404 1 140 . 1 1 163 163 ALA N N 15 119.892 0.090 . 1 . . . . . 164 ALA N . 27404 1 141 . 1 1 164 164 ALA H H 1 7.494 0.002 . 1 . . . . . 165 ALA H . 27404 1 142 . 1 1 164 164 ALA C C 13 180.193 0.038 . 1 . . . . . 165 ALA C . 27404 1 143 . 1 1 164 164 ALA CA C 13 54.795 0.061 . 1 . . . . . 165 ALA CA . 27404 1 144 . 1 1 164 164 ALA CB C 13 16.945 0.000 . 1 . . . . . 165 ALA CB . 27404 1 145 . 1 1 164 164 ALA N N 15 120.020 0.082 . 1 . . . . . 165 ALA N . 27404 1 146 . 1 1 165 165 LEU H H 1 7.743 0.005 . 1 . . . . . 166 LEU H . 27404 1 147 . 1 1 165 165 LEU CA C 13 57.903 0.030 . 1 . . . . . 166 LEU CA . 27404 1 148 . 1 1 165 165 LEU N N 15 118.102 0.038 . 1 . . . . . 166 LEU N . 27404 1 149 . 1 1 166 166 VAL H H 1 7.539 0.003 . 1 . . . . . 167 VAL H . 27404 1 150 . 1 1 166 166 VAL CA C 13 64.355 0.035 . 1 . . . . . 167 VAL CA . 27404 1 151 . 1 1 166 166 VAL N N 15 120.739 0.099 . 1 . . . . . 167 VAL N . 27404 1 152 . 1 1 167 167 LYS H H 1 8.613 0.004 . 1 . . . . . 168 LYS H . 27404 1 153 . 1 1 167 167 LYS CA C 13 59.930 0.030 . 1 . . . . . 168 LYS CA . 27404 1 154 . 1 1 167 167 LYS CB C 13 32.265 0.128 . 1 . . . . . 168 LYS CB . 27404 1 155 . 1 1 167 167 LYS N N 15 122.691 0.055 . 1 . . . . . 168 LYS N . 27404 1 156 . 1 1 168 168 ALA H H 1 7.403 0.008 . 1 . . . . . 169 ALA H . 27404 1 157 . 1 1 168 168 ALA CA C 13 51.474 0.089 . 1 . . . . . 169 ALA CA . 27404 1 158 . 1 1 168 168 ALA CB C 13 19.482 0.000 . 1 . . . . . 169 ALA CB . 27404 1 159 . 1 1 168 168 ALA N N 15 116.190 0.092 . 1 . . . . . 169 ALA N . 27404 1 160 . 1 1 169 169 GLY H H 1 8.003 0.003 . 1 . . . . . 170 GLY H . 27404 1 161 . 1 1 169 169 GLY C C 13 175.085 0.024 . 1 . . . . . 170 GLY C . 27404 1 162 . 1 1 169 169 GLY CA C 13 45.353 0.032 . 1 . . . . . 170 GLY CA . 27404 1 163 . 1 1 169 169 GLY N N 15 107.538 0.146 . 1 . . . . . 170 GLY N . 27404 1 164 . 1 1 170 170 LYS H H 1 8.075 0.005 . 1 . . . . . 171 LYS H . 27404 1 165 . 1 1 170 170 LYS CA C 13 55.406 0.051 . 1 . . . . . 171 LYS CA . 27404 1 166 . 1 1 170 170 LYS CB C 13 31.925 0.025 . 1 . . . . . 171 LYS CB . 27404 1 167 . 1 1 170 170 LYS N N 15 116.637 0.108 . 1 . . . . . 171 LYS N . 27404 1 168 . 1 1 171 171 VAL H H 1 6.975 0.009 . 1 . . . . . 172 VAL H . 27404 1 169 . 1 1 171 171 VAL CA C 13 57.841 0.048 . 1 . . . . . 172 VAL CA . 27404 1 170 . 1 1 171 171 VAL CB C 13 33.381 0.011 . 1 . . . . . 172 VAL CB . 27404 1 171 . 1 1 171 171 VAL N N 15 104.680 0.161 . 1 . . . . . 172 VAL N . 27404 1 172 . 1 1 172 172 TYR H H 1 8.756 0.002 . 1 . . . . . 173 TYR H . 27404 1 173 . 1 1 172 172 TYR CA C 13 59.542 0.064 . 1 . . . . . 173 TYR CA . 27404 1 174 . 1 1 172 172 TYR CB C 13 39.350 0.000 . 1 . . . . . 173 TYR CB . 27404 1 175 . 1 1 172 172 TYR N N 15 120.942 0.094 . 1 . . . . . 173 TYR N . 27404 1 176 . 1 1 173 173 ALA H H 1 6.835 0.005 . 1 . . . . . 174 ALA H . 27404 1 177 . 1 1 173 173 ALA CA C 13 50.818 0.003 . 1 . . . . . 174 ALA CA . 27404 1 178 . 1 1 173 173 ALA N N 15 109.900 0.078 . 1 . . . . . 174 ALA N . 27404 1 179 . 1 1 174 174 ALA H H 1 6.804 0.002 . 1 . . . . . 175 ALA H . 27404 1 180 . 1 1 174 174 ALA CA C 13 49.012 0.064 . 1 . . . . . 175 ALA CA . 27404 1 181 . 1 1 174 174 ALA CB C 13 21.865 0.020 . 1 . . . . . 175 ALA CB . 27404 1 182 . 1 1 174 174 ALA N N 15 122.319 0.040 . 1 . . . . . 175 ALA N . 27404 1 183 . 1 1 175 175 ALA H H 1 9.350 0.002 . 1 . . . . . 176 ALA H . 27404 1 184 . 1 1 175 175 ALA CA C 13 50.214 0.000 . 1 . . . . . 176 ALA CA . 27404 1 185 . 1 1 175 175 ALA CB C 13 19.869 0.000 . 1 . . . . . 176 ALA CB . 27404 1 186 . 1 1 175 175 ALA N N 15 127.103 0.075 . 1 . . . . . 176 ALA N . 27404 1 187 . 1 1 188 188 VAL H H 1 6.565 0.005 . 1 . . . . . 189 VAL H . 27404 1 188 . 1 1 188 188 VAL CA C 13 60.622 0.073 . 1 . . . . . 189 VAL CA . 27404 1 189 . 1 1 188 188 VAL CB C 13 34.733 0.000 . 1 . . . . . 189 VAL CB . 27404 1 190 . 1 1 188 188 VAL N N 15 110.921 0.113 . 1 . . . . . 189 VAL N . 27404 1 191 . 1 1 189 189 LEU H H 1 8.587 0.003 . 1 . . . . . 190 LEU H . 27404 1 192 . 1 1 189 189 LEU CA C 13 52.683 0.014 . 1 . . . . . 190 LEU CA . 27404 1 193 . 1 1 189 189 LEU CB C 13 46.158 0.056 . 1 . . . . . 190 LEU CB . 27404 1 194 . 1 1 189 189 LEU N N 15 132.823 0.168 . 1 . . . . . 190 LEU N . 27404 1 195 . 1 1 190 190 MET H H 1 9.536 0.004 . 1 . . . . . 191 MET H . 27404 1 196 . 1 1 190 190 MET CA C 13 54.135 0.076 . 1 . . . . . 191 MET CA . 27404 1 197 . 1 1 190 190 MET CB C 13 35.892 0.043 . 1 . . . . . 191 MET CB . 27404 1 198 . 1 1 190 190 MET N N 15 126.379 0.082 . 1 . . . . . 191 MET N . 27404 1 199 . 1 1 191 191 ARG H H 1 9.420 0.004 . 1 . . . . . 192 ARG H . 27404 1 200 . 1 1 191 191 ARG CA C 13 54.927 0.015 . 1 . . . . . 192 ARG CA . 27404 1 201 . 1 1 191 191 ARG CB C 13 31.316 0.000 . 1 . . . . . 192 ARG CB . 27404 1 202 . 1 1 191 191 ARG N N 15 123.422 0.093 . 1 . . . . . 192 ARG N . 27404 1 203 . 1 1 207 207 HIS H H 1 8.707 0.003 . 1 . . . . . 208 HIS H . 27404 1 204 . 1 1 207 207 HIS CA C 13 54.664 0.045 . 1 . . . . . 208 HIS CA . 27404 1 205 . 1 1 207 207 HIS CB C 13 31.399 0.127 . 1 . . . . . 208 HIS CB . 27404 1 206 . 1 1 207 207 HIS N N 15 121.901 0.099 . 1 . . . . . 208 HIS N . 27404 1 207 . 1 1 208 208 LEU H H 1 8.073 0.003 . 1 . . . . . 209 LEU H . 27404 1 208 . 1 1 208 208 LEU CA C 13 57.830 0.025 . 1 . . . . . 209 LEU CA . 27404 1 209 . 1 1 208 208 LEU CB C 13 42.065 0.000 . 1 . . . . . 209 LEU CB . 27404 1 210 . 1 1 208 208 LEU N N 15 128.766 0.062 . 1 . . . . . 209 LEU N . 27404 1 211 . 1 1 209 209 SER H H 1 9.525 0.003 . 1 . . . . . 210 SER H . 27404 1 212 . 1 1 209 209 SER CA C 13 61.223 0.025 . 1 . . . . . 210 SER CA . 27404 1 213 . 1 1 209 209 SER N N 15 113.045 0.093 . 1 . . . . . 210 SER N . 27404 1 214 . 1 1 210 210 ARG H H 1 6.924 0.003 . 1 . . . . . 211 ARG H . 27404 1 215 . 1 1 210 210 ARG CA C 13 56.690 0.000 . 1 . . . . . 211 ARG CA . 27404 1 216 . 1 1 210 210 ARG CB C 13 28.957 0.000 . 1 . . . . . 211 ARG CB . 27404 1 217 . 1 1 210 210 ARG N N 15 120.899 0.086 . 1 . . . . . 211 ARG N . 27404 1 218 . 1 1 213 213 GLN H H 1 7.810 0.003 . 1 . . . . . 214 GLN H . 27404 1 219 . 1 1 213 213 GLN CA C 13 58.395 0.042 . 1 . . . . . 214 GLN CA . 27404 1 220 . 1 1 213 213 GLN CB C 13 28.309 0.043 . 1 . . . . . 214 GLN CB . 27404 1 221 . 1 1 213 213 GLN N N 15 117.565 0.091 . 1 . . . . . 214 GLN N . 27404 1 222 . 1 1 214 214 GLU H H 1 8.239 0.003 . 1 . . . . . 215 GLU H . 27404 1 223 . 1 1 214 214 GLU CA C 13 58.667 0.016 . 1 . . . . . 215 GLU CA . 27404 1 224 . 1 1 214 214 GLU CB C 13 28.612 0.000 . 1 . . . . . 215 GLU CB . 27404 1 225 . 1 1 214 214 GLU N N 15 118.769 0.148 . 1 . . . . . 215 GLU N . 27404 1 226 . 1 1 215 215 LEU H H 1 7.854 0.005 . 1 . . . . . 216 LEU H . 27404 1 227 . 1 1 215 215 LEU CA C 13 54.882 0.039 . 1 . . . . . 216 LEU CA . 27404 1 228 . 1 1 215 215 LEU N N 15 115.483 0.121 . 1 . . . . . 216 LEU N . 27404 1 229 . 1 1 216 216 GLY H H 1 7.746 0.009 . 1 . . . . . 217 GLY H . 27404 1 230 . 1 1 216 216 GLY CA C 13 46.368 0.090 . 1 . . . . . 217 GLY CA . 27404 1 231 . 1 1 216 216 GLY N N 15 110.831 0.102 . 1 . . . . . 217 GLY N . 27404 1 232 . 1 1 217 217 LEU H H 1 7.917 0.004 . 1 . . . . . 218 LEU H . 27404 1 233 . 1 1 217 217 LEU C C 13 176.172 0.054 . 1 . . . . . 218 LEU C . 27404 1 234 . 1 1 217 217 LEU CA C 13 52.550 0.057 . 1 . . . . . 218 LEU CA . 27404 1 235 . 1 1 217 217 LEU CB C 13 45.165 0.054 . 1 . . . . . 218 LEU CB . 27404 1 236 . 1 1 217 217 LEU N N 15 118.002 0.100 . 1 . . . . . 218 LEU N . 27404 1 237 . 1 1 218 218 ASN H H 1 7.567 0.003 . 1 . . . . . 219 ASN H . 27404 1 238 . 1 1 218 218 ASN CA C 13 50.193 0.024 . 1 . . . . . 219 ASN CA . 27404 1 239 . 1 1 218 218 ASN CB C 13 38.573 0.139 . 1 . . . . . 219 ASN CB . 27404 1 240 . 1 1 218 218 ASN N N 15 116.430 0.061 . 1 . . . . . 219 ASN N . 27404 1 241 . 1 1 219 219 GLN H H 1 8.600 0.002 . 1 . . . . . 220 GLN H . 27404 1 242 . 1 1 219 219 GLN CA C 13 58.983 0.001 . 1 . . . . . 220 GLN CA . 27404 1 243 . 1 1 219 219 GLN CB C 13 26.609 0.060 . 1 . . . . . 220 GLN CB . 27404 1 244 . 1 1 219 219 GLN N N 15 119.449 0.057 . 1 . . . . . 220 GLN N . 27404 1 245 . 1 1 220 220 GLU H H 1 8.562 0.004 . 1 . . . . . 221 GLU H . 27404 1 246 . 1 1 220 220 GLU CA C 13 60.814 0.030 . 1 . . . . . 221 GLU CA . 27404 1 247 . 1 1 220 220 GLU N N 15 119.076 0.098 . 1 . . . . . 221 GLU N . 27404 1 248 . 1 1 221 221 GLN H H 1 8.202 0.005 . 1 . . . . . 222 GLN H . 27404 1 249 . 1 1 221 221 GLN CA C 13 57.729 0.030 . 1 . . . . . 222 GLN CA . 27404 1 250 . 1 1 221 221 GLN CB C 13 28.371 0.000 . 1 . . . . . 222 GLN CB . 27404 1 251 . 1 1 221 221 GLN N N 15 119.087 0.132 . 1 . . . . . 222 GLN N . 27404 1 252 . 1 1 222 222 PHE H H 1 8.592 0.006 . 1 . . . . . 223 PHE H . 27404 1 253 . 1 1 222 222 PHE CA C 13 60.425 0.012 . 1 . . . . . 223 PHE CA . 27404 1 254 . 1 1 222 222 PHE CB C 13 38.891 0.000 . 1 . . . . . 223 PHE CB . 27404 1 255 . 1 1 222 222 PHE N N 15 121.216 0.218 . 1 . . . . . 223 PHE N . 27404 1 256 . 1 1 223 223 VAL H H 1 8.744 0.005 . 1 . . . . . 224 VAL H . 27404 1 257 . 1 1 223 223 VAL CA C 13 67.321 0.063 . 1 . . . . . 224 VAL CA . 27404 1 258 . 1 1 223 223 VAL CB C 13 29.919 0.000 . 1 . . . . . 224 VAL CB . 27404 1 259 . 1 1 223 223 VAL N N 15 123.469 0.058 . 1 . . . . . 224 VAL N . 27404 1 260 . 1 1 224 224 ASP H H 1 7.409 0.005 . 1 . . . . . 225 ASP H . 27404 1 261 . 1 1 224 224 ASP CA C 13 57.354 0.019 . 1 . . . . . 225 ASP CA . 27404 1 262 . 1 1 224 224 ASP CB C 13 40.518 0.000 . 1 . . . . . 225 ASP CB . 27404 1 263 . 1 1 224 224 ASP N N 15 120.865 0.068 . 1 . . . . . 225 ASP N . 27404 1 264 . 1 1 225 225 LEU H H 1 8.435 0.004 . 1 . . . . . 226 LEU H . 27404 1 265 . 1 1 225 225 LEU CA C 13 57.938 0.013 . 1 . . . . . 226 LEU CA . 27404 1 266 . 1 1 225 225 LEU CB C 13 39.839 0.000 . 1 . . . . . 226 LEU CB . 27404 1 267 . 1 1 225 225 LEU N N 15 121.602 0.063 . 1 . . . . . 226 LEU N . 27404 1 268 . 1 1 226 226 CYS H H 1 7.817 0.001 . 1 . . . . . 227 CYS H . 27404 1 269 . 1 1 226 226 CYS CA C 13 63.561 0.000 . 1 . . . . . 227 CYS CA . 27404 1 270 . 1 1 226 226 CYS N N 15 116.566 0.050 . 1 . . . . . 227 CYS N . 27404 1 271 . 1 1 236 236 SER H H 1 8.351 0.004 . 1 . . . . . 237 SER H . 27404 1 272 . 1 1 236 236 SER CA C 13 56.941 0.012 . 1 . . . . . 237 SER CA . 27404 1 273 . 1 1 236 236 SER CB C 13 63.654 0.105 . 1 . . . . . 237 SER CB . 27404 1 274 . 1 1 236 236 SER N N 15 116.781 0.056 . 1 . . . . . 237 SER N . 27404 1 275 . 1 1 237 237 ILE H H 1 8.908 0.002 . 1 . . . . . 238 ILE H . 27404 1 276 . 1 1 237 237 ILE CA C 13 60.697 0.023 . 1 . . . . . 238 ILE CA . 27404 1 277 . 1 1 237 237 ILE CB C 13 37.385 0.031 . 1 . . . . . 238 ILE CB . 27404 1 278 . 1 1 237 237 ILE N N 15 119.936 0.056 . 1 . . . . . 238 ILE N . 27404 1 279 . 1 1 238 238 ARG H H 1 8.810 0.003 . 1 . . . . . 239 ARG H . 27404 1 280 . 1 1 238 238 ARG CA C 13 57.816 0.015 . 1 . . . . . 239 ARG CA . 27404 1 281 . 1 1 238 238 ARG CB C 13 28.554 0.000 . 1 . . . . . 239 ARG CB . 27404 1 282 . 1 1 238 238 ARG N N 15 132.985 0.100 . 1 . . . . . 239 ARG N . 27404 1 283 . 1 1 243 243 LYS H H 1 7.904 0.003 . 1 . . . . . 244 LYS H . 27404 1 284 . 1 1 243 243 LYS C C 13 174.380 0.000 . 1 . . . . . 244 LYS C . 27404 1 285 . 1 1 243 243 LYS CA C 13 59.070 0.041 . 1 . . . . . 244 LYS CA . 27404 1 286 . 1 1 243 243 LYS CB C 13 30.704 0.000 . 1 . . . . . 244 LYS CB . 27404 1 287 . 1 1 243 243 LYS N N 15 120.847 0.072 . 1 . . . . . 244 LYS N . 27404 1 288 . 1 1 244 244 ARG H H 1 7.634 0.002 . 1 . . . . . 245 ARG H . 27404 1 289 . 1 1 244 244 ARG CA C 13 58.691 0.037 . 1 . . . . . 245 ARG CA . 27404 1 290 . 1 1 244 244 ARG CB C 13 32.263 0.000 . 1 . . . . . 245 ARG CB . 27404 1 291 . 1 1 244 244 ARG N N 15 116.587 0.133 . 1 . . . . . 245 ARG N . 27404 1 292 . 1 1 245 245 ALA H H 1 9.109 0.004 . 1 . . . . . 246 ALA H . 27404 1 293 . 1 1 245 245 ALA CA C 13 55.386 0.042 . 1 . . . . . 246 ALA CA . 27404 1 294 . 1 1 245 245 ALA CB C 13 18.585 0.000 . 1 . . . . . 246 ALA CB . 27404 1 295 . 1 1 245 245 ALA N N 15 120.908 0.068 . 1 . . . . . 246 ALA N . 27404 1 296 . 1 1 246 246 VAL H H 1 7.426 0.006 . 1 . . . . . 247 VAL H . 27404 1 297 . 1 1 246 246 VAL CA C 13 66.298 0.030 . 1 . . . . . 247 VAL CA . 27404 1 298 . 1 1 246 246 VAL CB C 13 31.194 0.000 . 1 . . . . . 247 VAL CB . 27404 1 299 . 1 1 246 246 VAL N N 15 115.728 0.136 . 1 . . . . . 247 VAL N . 27404 1 300 . 1 1 247 247 ASP H H 1 6.859 0.010 . 1 . . . . . 248 ASP H . 27404 1 301 . 1 1 247 247 ASP CA C 13 57.318 0.026 . 1 . . . . . 248 ASP CA . 27404 1 302 . 1 1 247 247 ASP CB C 13 41.485 0.027 . 1 . . . . . 248 ASP CB . 27404 1 303 . 1 1 247 247 ASP N N 15 119.034 0.086 . 1 . . . . . 248 ASP N . 27404 1 304 . 1 1 248 248 LEU H H 1 8.447 0.007 . 1 . . . . . 249 LEU H . 27404 1 305 . 1 1 248 248 LEU CA C 13 57.366 0.000 . 1 . . . . . 249 LEU CA . 27404 1 306 . 1 1 248 248 LEU CB C 13 41.128 0.000 . 1 . . . . . 249 LEU CB . 27404 1 307 . 1 1 248 248 LEU N N 15 117.138 0.100 . 1 . . . . . 249 LEU N . 27404 1 308 . 1 1 252 252 HIS H H 1 8.239 0.005 . 1 . . . . . 253 HIS H . 27404 1 309 . 1 1 252 252 HIS CA C 13 56.280 0.033 . 1 . . . . . 253 HIS CA . 27404 1 310 . 1 1 252 252 HIS CB C 13 31.751 0.016 . 1 . . . . . 253 HIS CB . 27404 1 311 . 1 1 252 252 HIS N N 15 115.108 0.103 . 1 . . . . . 253 HIS N . 27404 1 312 . 1 1 253 253 LYS H H 1 8.133 0.005 . 1 . . . . . 254 LYS H . 27404 1 313 . 1 1 253 253 LYS CA C 13 59.753 0.000 . 1 . . . . . 254 LYS CA . 27404 1 314 . 1 1 253 253 LYS CB C 13 29.463 0.069 . 1 . . . . . 254 LYS CB . 27404 1 315 . 1 1 253 253 LYS N N 15 113.994 0.070 . 1 . . . . . 254 LYS N . 27404 1 316 . 1 1 254 254 SER H H 1 8.021 0.004 . 1 . . . . . 255 SER H . 27404 1 317 . 1 1 254 254 SER C C 13 174.571 0.014 . 1 . . . . . 255 SER C . 27404 1 318 . 1 1 254 254 SER CA C 13 55.728 0.039 . 1 . . . . . 255 SER CA . 27404 1 319 . 1 1 254 254 SER CB C 13 66.210 0.098 . 1 . . . . . 255 SER CB . 27404 1 320 . 1 1 254 254 SER N N 15 112.891 0.073 . 1 . . . . . 255 SER N . 27404 1 321 . 1 1 255 255 ILE H H 1 8.495 0.003 . 1 . . . . . 256 ILE H . 27404 1 322 . 1 1 255 255 ILE CA C 13 65.848 0.029 . 1 . . . . . 256 ILE CA . 27404 1 323 . 1 1 255 255 ILE CB C 13 36.607 0.163 . 1 . . . . . 256 ILE CB . 27404 1 324 . 1 1 255 255 ILE N N 15 122.717 0.066 . 1 . . . . . 256 ILE N . 27404 1 325 . 1 1 256 256 GLU H H 1 8.852 0.004 . 1 . . . . . 257 GLU H . 27404 1 326 . 1 1 256 256 GLU CA C 13 59.991 0.023 . 1 . . . . . 257 GLU CA . 27404 1 327 . 1 1 256 256 GLU CB C 13 28.586 0.000 . 1 . . . . . 257 GLU CB . 27404 1 328 . 1 1 256 256 GLU N N 15 118.629 0.093 . 1 . . . . . 257 GLU N . 27404 1 329 . 1 1 257 257 GLU H H 1 7.441 0.009 . 1 . . . . . 258 GLU H . 27404 1 330 . 1 1 257 257 GLU CA C 13 57.605 0.018 . 1 . . . . . 258 GLU CA . 27404 1 331 . 1 1 257 257 GLU CB C 13 28.579 0.000 . 1 . . . . . 258 GLU CB . 27404 1 332 . 1 1 257 257 GLU N N 15 118.379 0.097 . 1 . . . . . 258 GLU N . 27404 1 333 . 1 1 258 258 ILE H H 1 7.989 0.001 . 1 . . . . . 259 ILE H . 27404 1 334 . 1 1 258 258 ILE CA C 13 65.952 0.031 . 1 . . . . . 259 ILE CA . 27404 1 335 . 1 1 258 258 ILE CB C 13 37.412 0.109 . 1 . . . . . 259 ILE CB . 27404 1 336 . 1 1 258 258 ILE N N 15 121.392 0.077 . 1 . . . . . 259 ILE N . 27404 1 337 . 1 1 259 259 VAL H H 1 8.588 0.006 . 1 . . . . . 260 VAL H . 27404 1 338 . 1 1 259 259 VAL CA C 13 66.111 0.052 . 1 . . . . . 260 VAL CA . 27404 1 339 . 1 1 259 259 VAL CB C 13 30.512 0.006 . 1 . . . . . 260 VAL CB . 27404 1 340 . 1 1 259 259 VAL N N 15 116.636 0.054 . 1 . . . . . 260 VAL N . 27404 1 341 . 1 1 260 260 ARG H H 1 7.076 0.005 . 1 . . . . . 261 ARG H . 27404 1 342 . 1 1 260 260 ARG CA C 13 58.165 0.012 . 1 . . . . . 261 ARG CA . 27404 1 343 . 1 1 260 260 ARG CB C 13 29.799 0.178 . 1 . . . . . 261 ARG CB . 27404 1 344 . 1 1 260 260 ARG N N 15 117.388 0.096 . 1 . . . . . 261 ARG N . 27404 1 345 . 1 1 261 261 ARG H H 1 7.399 0.002 . 1 . . . . . 262 ARG H . 27404 1 346 . 1 1 261 261 ARG CA C 13 54.678 0.047 . 1 . . . . . 262 ARG CA . 27404 1 347 . 1 1 261 261 ARG CB C 13 30.073 0.009 . 1 . . . . . 262 ARG CB . 27404 1 348 . 1 1 261 261 ARG N N 15 116.853 0.104 . 1 . . . . . 262 ARG N . 27404 1 349 . 1 1 262 262 LEU H H 1 7.435 0.006 . 1 . . . . . 263 LEU H . 27404 1 350 . 1 1 262 262 LEU CA C 13 54.240 0.019 . 1 . . . . . 263 LEU CA . 27404 1 351 . 1 1 262 262 LEU CB C 13 42.287 0.166 . 1 . . . . . 263 LEU CB . 27404 1 352 . 1 1 262 262 LEU N N 15 121.844 0.105 . 1 . . . . . 263 LEU N . 27404 1 353 . 1 1 263 263 ASP H H 1 8.618 0.002 . 1 . . . . . 264 ASP H . 27404 1 354 . 1 1 263 263 ASP C C 13 175.650 0.000 . 1 . . . . . 264 ASP C . 27404 1 355 . 1 1 263 263 ASP CA C 13 51.315 0.000 . 1 . . . . . 264 ASP CA . 27404 1 356 . 1 1 263 263 ASP CB C 13 41.087 0.000 . 1 . . . . . 264 ASP CB . 27404 1 357 . 1 1 263 263 ASP N N 15 125.606 0.060 . 1 . . . . . 264 ASP N . 27404 1 358 . 1 1 271 271 GLU H H 1 8.440 0.002 . 1 . . . . . 272 GLU H . 27404 1 359 . 1 1 271 271 GLU C C 13 177.185 0.018 . 1 . . . . . 272 GLU C . 27404 1 360 . 1 1 271 271 GLU CA C 13 56.602 0.034 . 1 . . . . . 272 GLU CA . 27404 1 361 . 1 1 271 271 GLU CB C 13 29.306 0.000 . 1 . . . . . 272 GLU CB . 27404 1 362 . 1 1 271 271 GLU N N 15 122.890 0.043 . 1 . . . . . 272 GLU N . 27404 1 363 . 1 1 272 272 ASN H H 1 9.001 0.005 . 1 . . . . . 273 ASN H . 27404 1 364 . 1 1 272 272 ASN CA C 13 53.385 0.007 . 1 . . . . . 273 ASN CA . 27404 1 365 . 1 1 272 272 ASN CB C 13 36.985 0.054 . 1 . . . . . 273 ASN CB . 27404 1 366 . 1 1 272 272 ASN N N 15 120.894 0.059 . 1 . . . . . 273 ASN N . 27404 1 367 . 1 1 273 273 TRP H H 1 7.838 0.005 . 1 . . . . . 274 TRP H . 27404 1 368 . 1 1 273 273 TRP CA C 13 55.531 0.000 . 1 . . . . . 274 TRP CA . 27404 1 369 . 1 1 273 273 TRP N N 15 118.691 0.115 . 1 . . . . . 274 TRP N . 27404 1 370 . 1 1 286 286 GLU H H 1 8.378 0.003 . 1 . . . . . 287 GLU H . 27404 1 371 . 1 1 286 286 GLU CB C 13 28.485 0.098 . 1 . . . . . 287 GLU CB . 27404 1 372 . 1 1 286 286 GLU N N 15 120.651 0.060 . 1 . . . . . 287 GLU N . 27404 1 373 . 1 1 287 287 VAL H H 1 8.575 0.003 . 1 . . . . . 288 VAL H . 27404 1 374 . 1 1 287 287 VAL C C 13 174.954 0.003 . 1 . . . . . 288 VAL C . 27404 1 375 . 1 1 287 287 VAL CA C 13 58.761 0.043 . 1 . . . . . 288 VAL CA . 27404 1 376 . 1 1 287 287 VAL CB C 13 36.940 0.000 . 1 . . . . . 288 VAL CB . 27404 1 377 . 1 1 287 287 VAL N N 15 121.204 0.049 . 1 . . . . . 288 VAL N . 27404 1 378 . 1 1 288 288 LEU H H 1 7.030 0.003 . 1 . . . . . 289 LEU H . 27404 1 379 . 1 1 288 288 LEU C C 13 174.485 0.001 . 1 . . . . . 289 LEU C . 27404 1 380 . 1 1 288 288 LEU CA C 13 53.569 0.038 . 1 . . . . . 289 LEU CA . 27404 1 381 . 1 1 288 288 LEU CB C 13 40.958 0.094 . 1 . . . . . 289 LEU CB . 27404 1 382 . 1 1 288 288 LEU N N 15 119.591 0.066 . 1 . . . . . 289 LEU N . 27404 1 383 . 1 1 289 289 ASP H H 1 8.325 0.002 . 1 . . . . . 290 ASP H . 27404 1 384 . 1 1 289 289 ASP C C 13 176.772 0.000 . 1 . . . . . 290 ASP C . 27404 1 385 . 1 1 289 289 ASP CA C 13 50.422 0.000 . 1 . . . . . 290 ASP CA . 27404 1 386 . 1 1 289 289 ASP CB C 13 40.673 0.000 . 1 . . . . . 290 ASP CB . 27404 1 387 . 1 1 289 289 ASP N N 15 120.309 0.058 . 1 . . . . . 290 ASP N . 27404 1 388 . 1 1 291 291 GLU H H 1 7.997 0.003 . 1 . . . . . 292 GLU H . 27404 1 389 . 1 1 291 291 GLU CA C 13 56.582 0.010 . 1 . . . . . 292 GLU CA . 27404 1 390 . 1 1 291 291 GLU CB C 13 28.095 0.000 . 1 . . . . . 292 GLU CB . 27404 1 391 . 1 1 291 291 GLU N N 15 114.213 0.055 . 1 . . . . . 292 GLU N . 27404 1 392 . 1 1 292 292 SER H H 1 7.596 0.002 . 1 . . . . . 293 SER H . 27404 1 393 . 1 1 292 292 SER C C 13 174.070 0.002 . 1 . . . . . 293 SER C . 27404 1 394 . 1 1 292 292 SER CA C 13 58.196 0.008 . 1 . . . . . 293 SER CA . 27404 1 395 . 1 1 292 292 SER CB C 13 64.027 0.068 . 1 . . . . . 293 SER CB . 27404 1 396 . 1 1 292 292 SER N N 15 113.049 0.065 . 1 . . . . . 293 SER N . 27404 1 397 . 1 1 293 293 VAL H H 1 6.825 0.003 . 1 . . . . . 294 VAL H . 27404 1 398 . 1 1 293 293 VAL C C 13 174.528 0.002 . 1 . . . . . 294 VAL C . 27404 1 399 . 1 1 293 293 VAL CA C 13 60.970 0.012 . 1 . . . . . 294 VAL CA . 27404 1 400 . 1 1 293 293 VAL CB C 13 32.331 0.000 . 1 . . . . . 294 VAL CB . 27404 1 401 . 1 1 293 293 VAL N N 15 118.868 0.061 . 1 . . . . . 294 VAL N . 27404 1 402 . 1 1 294 294 GLU H H 1 8.478 0.002 . 1 . . . . . 295 GLU H . 27404 1 403 . 1 1 294 294 GLU C C 13 175.096 0.000 . 1 . . . . . 295 GLU C . 27404 1 404 . 1 1 294 294 GLU CA C 13 54.504 0.024 . 1 . . . . . 295 GLU CA . 27404 1 405 . 1 1 294 294 GLU CB C 13 29.934 0.065 . 1 . . . . . 295 GLU CB . 27404 1 406 . 1 1 294 294 GLU N N 15 127.822 0.057 . 1 . . . . . 295 GLU N . 27404 1 407 . 1 1 295 295 LEU H H 1 8.551 0.002 . 1 . . . . . 296 LEU H . 27404 1 408 . 1 1 295 295 LEU CA C 13 53.753 0.037 . 1 . . . . . 296 LEU CA . 27404 1 409 . 1 1 295 295 LEU CB C 13 41.353 0.118 . 1 . . . . . 296 LEU CB . 27404 1 410 . 1 1 295 295 LEU N N 15 126.317 0.063 . 1 . . . . . 296 LEU N . 27404 1 411 . 1 1 296 296 LYS H H 1 7.332 0.002 . 1 . . . . . 297 LYS H . 27404 1 412 . 1 1 296 296 LYS C C 13 173.298 0.011 . 1 . . . . . 297 LYS C . 27404 1 413 . 1 1 296 296 LYS CA C 13 54.891 0.028 . 1 . . . . . 297 LYS CA . 27404 1 414 . 1 1 296 296 LYS CB C 13 34.533 0.019 . 1 . . . . . 297 LYS CB . 27404 1 415 . 1 1 296 296 LYS N N 15 123.111 0.066 . 1 . . . . . 297 LYS N . 27404 1 416 . 1 1 297 297 TRP H H 1 8.823 0.003 . 1 . . . . . 298 TRP H . 27404 1 417 . 1 1 297 297 TRP CA C 13 58.911 0.009 . 1 . . . . . 298 TRP CA . 27404 1 418 . 1 1 297 297 TRP CB C 13 29.631 0.155 . 1 . . . . . 298 TRP CB . 27404 1 419 . 1 1 297 297 TRP N N 15 127.508 0.073 . 1 . . . . . 298 TRP N . 27404 1 420 . 1 1 298 298 SER H H 1 9.263 0.003 . 1 . . . . . 299 SER H . 27404 1 421 . 1 1 298 298 SER C C 13 172.622 0.002 . 1 . . . . . 299 SER C . 27404 1 422 . 1 1 298 298 SER CA C 13 56.809 0.029 . 1 . . . . . 299 SER CA . 27404 1 423 . 1 1 298 298 SER CB C 13 64.724 0.084 . 1 . . . . . 299 SER CB . 27404 1 424 . 1 1 298 298 SER N N 15 121.417 0.045 . 1 . . . . . 299 SER N . 27404 1 425 . 1 1 299 299 GLU H H 1 8.486 0.002 . 1 . . . . . 300 GLU H . 27404 1 426 . 1 1 299 299 GLU C C 13 174.635 0.000 . 1 . . . . . 300 GLU C . 27404 1 427 . 1 1 299 299 GLU CA C 13 54.541 0.000 . 1 . . . . . 300 GLU CA . 27404 1 428 . 1 1 299 299 GLU CB C 13 28.582 0.000 . 1 . . . . . 300 GLU CB . 27404 1 429 . 1 1 299 299 GLU N N 15 121.520 0.045 . 1 . . . . . 300 GLU N . 27404 1 430 . 1 1 301 301 ASN H H 1 8.530 0.002 . 1 . . . . . 302 ASN H . 27404 1 431 . 1 1 301 301 ASN CA C 13 50.775 0.061 . 1 . . . . . 302 ASN CA . 27404 1 432 . 1 1 301 301 ASN CB C 13 36.606 0.105 . 1 . . . . . 302 ASN CB . 27404 1 433 . 1 1 301 301 ASN N N 15 121.143 0.067 . 1 . . . . . 302 ASN N . 27404 1 434 . 1 1 302 302 GLU H H 1 8.287 0.002 . 1 . . . . . 303 GLU H . 27404 1 435 . 1 1 302 302 GLU CA C 13 61.012 0.015 . 1 . . . . . 303 GLU CA . 27404 1 436 . 1 1 302 302 GLU CB C 13 29.443 0.117 . 1 . . . . . 303 GLU CB . 27404 1 437 . 1 1 302 302 GLU N N 15 124.858 0.066 . 1 . . . . . 303 GLU N . 27404 1 438 . 1 1 303 303 GLU H H 1 8.807 0.002 . 1 . . . . . 304 GLU H . 27404 1 439 . 1 1 303 303 GLU CA C 13 59.419 0.069 . 1 . . . . . 304 GLU CA . 27404 1 440 . 1 1 303 303 GLU CB C 13 28.174 0.110 . 1 . . . . . 304 GLU CB . 27404 1 441 . 1 1 303 303 GLU N N 15 116.649 0.050 . 1 . . . . . 304 GLU N . 27404 1 442 . 1 1 304 304 GLU H H 1 7.551 0.004 . 1 . . . . . 305 GLU H . 27404 1 443 . 1 1 304 304 GLU CA C 13 57.780 0.050 . 1 . . . . . 305 GLU CA . 27404 1 444 . 1 1 304 304 GLU N N 15 117.880 0.095 . 1 . . . . . 305 GLU N . 27404 1 445 . 1 1 305 305 LEU H H 1 8.571 0.010 . 1 . . . . . 306 LEU H . 27404 1 446 . 1 1 305 305 LEU CA C 13 58.516 0.023 . 1 . . . . . 306 LEU CA . 27404 1 447 . 1 1 305 305 LEU CB C 13 41.140 0.104 . 1 . . . . . 306 LEU CB . 27404 1 448 . 1 1 305 305 LEU N N 15 123.039 0.103 . 1 . . . . . 306 LEU N . 27404 1 449 . 1 1 306 306 ILE H H 1 8.197 0.007 . 1 . . . . . 307 ILE H . 27404 1 450 . 1 1 306 306 ILE CA C 13 63.764 0.022 . 1 . . . . . 307 ILE CA . 27404 1 451 . 1 1 306 306 ILE CB C 13 35.781 0.000 . 1 . . . . . 307 ILE CB . 27404 1 452 . 1 1 306 306 ILE N N 15 120.722 0.196 . 1 . . . . . 307 ILE N . 27404 1 453 . 1 1 307 307 LYS H H 1 7.753 0.003 . 1 . . . . . 308 LYS H . 27404 1 454 . 1 1 307 307 LYS CA C 13 60.111 0.004 . 1 . . . . . 308 LYS CA . 27404 1 455 . 1 1 307 307 LYS CB C 13 31.520 0.002 . 1 . . . . . 308 LYS CB . 27404 1 456 . 1 1 307 307 LYS N N 15 121.975 0.055 . 1 . . . . . 308 LYS N . 27404 1 457 . 1 1 308 308 PHE H H 1 7.987 0.004 . 1 . . . . . 309 PHE H . 27404 1 458 . 1 1 308 308 PHE CA C 13 59.137 0.000 . 1 . . . . . 309 PHE CA . 27404 1 459 . 1 1 308 308 PHE CB C 13 40.052 0.000 . 1 . . . . . 309 PHE CB . 27404 1 460 . 1 1 308 308 PHE N N 15 116.645 0.067 . 1 . . . . . 309 PHE N . 27404 1 461 . 1 1 316 316 SER H H 1 9.391 0.005 . 1 . . . . . 317 SER H . 27404 1 462 . 1 1 316 316 SER C C 13 176.419 0.017 . 1 . . . . . 317 SER C . 27404 1 463 . 1 1 316 316 SER CA C 13 57.362 0.043 . 1 . . . . . 317 SER CA . 27404 1 464 . 1 1 316 316 SER CB C 13 62.962 0.089 . 1 . . . . . 317 SER CB . 27404 1 465 . 1 1 316 316 SER N N 15 119.575 0.088 . 1 . . . . . 317 SER N . 27404 1 466 . 1 1 317 317 GLU H H 1 9.073 0.003 . 1 . . . . . 318 GLU H . 27404 1 467 . 1 1 317 317 GLU CA C 13 60.113 0.017 . 1 . . . . . 318 GLU CA . 27404 1 468 . 1 1 317 317 GLU CB C 13 28.434 0.033 . 1 . . . . . 318 GLU CB . 27404 1 469 . 1 1 317 317 GLU N N 15 132.471 0.066 . 1 . . . . . 318 GLU N . 27404 1 470 . 1 1 318 318 GLU H H 1 8.535 0.003 . 1 . . . . . 319 GLU H . 27404 1 471 . 1 1 318 318 GLU C C 13 179.916 0.020 . 1 . . . . . 319 GLU C . 27404 1 472 . 1 1 318 318 GLU CA C 13 59.248 0.039 . 1 . . . . . 319 GLU CA . 27404 1 473 . 1 1 318 318 GLU CB C 13 28.447 0.088 . 1 . . . . . 319 GLU CB . 27404 1 474 . 1 1 318 318 GLU N N 15 119.034 0.073 . 1 . . . . . 319 GLU N . 27404 1 475 . 1 1 319 319 ARG H H 1 7.339 0.003 . 1 . . . . . 320 ARG H . 27404 1 476 . 1 1 319 319 ARG CA C 13 58.842 0.000 . 1 . . . . . 320 ARG CA . 27404 1 477 . 1 1 319 319 ARG CB C 13 29.271 0.000 . 1 . . . . . 320 ARG CB . 27404 1 478 . 1 1 319 319 ARG N N 15 118.877 0.065 . 1 . . . . . 320 ARG N . 27404 1 479 . 1 1 320 320 ILE H H 1 8.211 0.003 . 1 . . . . . 321 ILE H . 27404 1 480 . 1 1 320 320 ILE CA C 13 61.187 0.009 . 1 . . . . . 321 ILE CA . 27404 1 481 . 1 1 320 320 ILE CB C 13 33.784 0.105 . 1 . . . . . 321 ILE CB . 27404 1 482 . 1 1 320 320 ILE N N 15 121.085 0.039 . 1 . . . . . 321 ILE N . 27404 1 483 . 1 1 321 321 ARG H H 1 9.007 0.004 . 1 . . . . . 322 ARG H . 27404 1 484 . 1 1 321 321 ARG C C 13 179.805 0.019 . 1 . . . . . 322 ARG C . 27404 1 485 . 1 1 321 321 ARG CA C 13 60.827 0.001 . 1 . . . . . 322 ARG CA . 27404 1 486 . 1 1 321 321 ARG CB C 13 28.482 0.000 . 1 . . . . . 322 ARG CB . 27404 1 487 . 1 1 321 321 ARG N N 15 120.155 0.103 . 1 . . . . . 322 ARG N . 27404 1 488 . 1 1 322 322 SER H H 1 7.998 0.003 . 1 . . . . . 323 SER H . 27404 1 489 . 1 1 322 322 SER CA C 13 61.326 0.085 . 1 . . . . . 323 SER CA . 27404 1 490 . 1 1 322 322 SER N N 15 115.219 0.125 . 1 . . . . . 323 SER N . 27404 1 491 . 1 1 323 323 GLY H H 1 8.311 0.003 . 1 . . . . . 324 GLY H . 27404 1 492 . 1 1 323 323 GLY C C 13 174.778 0.015 . 1 . . . . . 324 GLY C . 27404 1 493 . 1 1 323 323 GLY CA C 13 47.283 0.018 . 1 . . . . . 324 GLY CA . 27404 1 494 . 1 1 323 323 GLY N N 15 110.509 0.071 . 1 . . . . . 324 GLY N . 27404 1 495 . 1 1 324 324 VAL H H 1 8.850 0.005 . 1 . . . . . 325 VAL H . 27404 1 496 . 1 1 324 324 VAL CA C 13 66.882 0.000 . 1 . . . . . 325 VAL CA . 27404 1 497 . 1 1 324 324 VAL CB C 13 30.341 0.000 . 1 . . . . . 325 VAL CB . 27404 1 498 . 1 1 324 324 VAL N N 15 122.432 0.059 . 1 . . . . . 325 VAL N . 27404 1 499 . 1 1 331 331 ARG H H 1 7.524 0.002 . 1 . . . . . 332 ARG H . 27404 1 500 . 1 1 331 331 ARG C C 13 176.961 0.000 . 1 . . . . . 332 ARG C . 27404 1 501 . 1 1 331 331 ARG CA C 13 56.572 0.003 . 1 . . . . . 332 ARG CA . 27404 1 502 . 1 1 331 331 ARG CB C 13 29.436 0.068 . 1 . . . . . 332 ARG CB . 27404 1 503 . 1 1 331 331 ARG N N 15 121.770 0.046 . 1 . . . . . 332 ARG N . 27404 1 504 . 1 1 332 332 GLN H H 1 7.868 0.003 . 1 . . . . . 333 GLN H . 27404 1 505 . 1 1 332 332 GLN C C 13 176.724 0.029 . 1 . . . . . 333 GLN C . 27404 1 506 . 1 1 332 332 GLN CA C 13 56.132 0.138 . 1 . . . . . 333 GLN CA . 27404 1 507 . 1 1 332 332 GLN N N 15 120.017 0.088 . 1 . . . . . 333 GLN N . 27404 1 508 . 1 1 333 333 GLY H H 1 8.246 0.007 . 1 . . . . . 334 GLY H . 27404 1 509 . 1 1 333 333 GLY CA C 13 45.168 0.053 . 1 . . . . . 334 GLY CA . 27404 1 510 . 1 1 333 333 GLY N N 15 109.645 0.089 . 1 . . . . . 334 GLY N . 27404 1 511 . 1 1 335 335 THR H H 1 8.131 0.003 . 1 . . . . . 336 THR H . 27404 1 512 . 1 1 335 335 THR CA C 13 61.737 0.000 . 1 . . . . . 336 THR CA . 27404 1 513 . 1 1 335 335 THR CB C 13 69.267 0.132 . 1 . . . . . 336 THR CB . 27404 1 514 . 1 1 335 335 THR N N 15 116.425 0.097 . 1 . . . . . 336 THR N . 27404 1 515 . 1 1 336 336 LEU H H 1 8.096 0.002 . 1 . . . . . 337 LEU H . 27404 1 516 . 1 1 336 336 LEU C C 13 177.206 0.004 . 1 . . . . . 337 LEU C . 27404 1 517 . 1 1 336 336 LEU CA C 13 54.964 0.006 . 1 . . . . . 337 LEU CA . 27404 1 518 . 1 1 336 336 LEU CB C 13 41.277 0.073 . 1 . . . . . 337 LEU CB . 27404 1 519 . 1 1 336 336 LEU N N 15 124.448 0.049 . 1 . . . . . 337 LEU N . 27404 1 520 . 1 1 337 337 GLU H H 1 8.224 0.002 . 1 . . . . . 338 GLU H . 27404 1 521 . 1 1 337 337 GLU C C 13 176.250 0.005 . 1 . . . . . 338 GLU C . 27404 1 522 . 1 1 337 337 GLU CA C 13 56.205 0.003 . 1 . . . . . 338 GLU CA . 27404 1 523 . 1 1 337 337 GLU CB C 13 29.423 0.080 . 1 . . . . . 338 GLU CB . 27404 1 524 . 1 1 337 337 GLU N N 15 122.340 0.060 . 1 . . . . . 338 GLU N . 27404 1 525 . 1 1 338 338 VAL H H 1 7.982 0.002 . 1 . . . . . 339 VAL H . 27404 1 526 . 1 1 338 338 VAL C C 13 175.728 0.001 . 1 . . . . . 339 VAL C . 27404 1 527 . 1 1 338 338 VAL CA C 13 61.846 0.018 . 1 . . . . . 339 VAL CA . 27404 1 528 . 1 1 338 338 VAL CB C 13 31.735 0.080 . 1 . . . . . 339 VAL CB . 27404 1 529 . 1 1 338 338 VAL N N 15 121.939 0.049 . 1 . . . . . 339 VAL N . 27404 1 530 . 1 1 339 339 LEU H H 1 8.104 0.003 . 1 . . . . . 340 LEU H . 27404 1 531 . 1 1 339 339 LEU C C 13 176.790 0.002 . 1 . . . . . 340 LEU C . 27404 1 532 . 1 1 339 339 LEU CA C 13 54.538 0.004 . 1 . . . . . 340 LEU CA . 27404 1 533 . 1 1 339 339 LEU CB C 13 41.551 0.082 . 1 . . . . . 340 LEU CB . 27404 1 534 . 1 1 339 339 LEU N N 15 125.967 0.034 . 1 . . . . . 340 LEU N . 27404 1 535 . 1 1 340 340 PHE H H 1 8.092 0.002 . 1 . . . . . 341 PHE H . 27404 1 536 . 1 1 340 340 PHE C C 13 174.693 0.000 . 1 . . . . . 341 PHE C . 27404 1 537 . 1 1 340 340 PHE CA C 13 57.155 0.002 . 1 . . . . . 341 PHE CA . 27404 1 538 . 1 1 340 340 PHE CB C 13 38.675 0.085 . 1 . . . . . 341 PHE CB . 27404 1 539 . 1 1 340 340 PHE N N 15 121.413 0.053 . 1 . . . . . 341 PHE N . 27404 1 540 . 1 1 341 341 GLN H H 1 7.739 0.002 . 1 . . . . . 342 GLN H . 27404 1 541 . 1 1 341 341 GLN C C 13 180.271 0.000 . 1 . . . . . 342 GLN C . 27404 1 542 . 1 1 341 341 GLN CA C 13 56.888 0.000 . 1 . . . . . 342 GLN CA . 27404 1 543 . 1 1 341 341 GLN CB C 13 29.853 0.000 . 1 . . . . . 342 GLN CB . 27404 1 544 . 1 1 341 341 GLN N N 15 126.747 0.055 . 1 . . . . . 342 GLN N . 27404 1 stop_ save_