data_50386 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Phosphorylated tEIN backbone and I/L/V methyl resonance assignment ; _BMRB_accession_number 50386 _BMRB_flat_file_name bmr50386.str _Entry_type original _Submission_date 2020-07-10 _Accession_date 2020-07-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Purslow Jeffrey A. . 2 Dotas Rochelle . . 3 Sivo Valeria . . 4 Venditti Vincenzo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 574 "13C chemical shifts" 825 "15N chemical shifts" 466 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-15 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27832 'Methyl Chemical shift Assignment of EIC from the thermophile thermoanaerobacter tengcongenesis' 27833 'tEIN backbone and I/L/V methyl resonance assignment' stop_ _Original_release_date 2020-07-10 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Phosphorylation and single-point mutation effects on the conformational dynamics of EIN ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Purslow Jeffrey A. . 2 Dotas Rochelle . . 3 Sivo Valeria . . 4 Venditti Vincenzo . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'Phosphorylated tEIN' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Phosphorylated tEIN' $entity_1 PEP $entity_PEP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 248 _Mol_residue_sequence ; MLKGVAASPGIAIGKAFLYT KEKVTINVEKIEESKVEEEI AKFRKALEVTQEEIEKIKEK ALKEFGKEKAEIFEAHLMLA SDPELIEGVENMIKTELVTA DNAVNKVIEQNASVMESLND EYLKERAVDLRDVGNRIIEN LLGVKSVNLSDLEEEVVVIA RDLTPSDTATMKKEMVLGFA TDVGGITSXTAIMARSLEIP AVVGLGNVTSQVKAGDLVIV DGLEGIVIVNPDEKTVEDYK SKKESYEK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LEU 3 LYS 4 GLY 5 VAL 6 ALA 7 ALA 8 SER 9 PRO 10 GLY 11 ILE 12 ALA 13 ILE 14 GLY 15 LYS 16 ALA 17 PHE 18 LEU 19 TYR 20 THR 21 LYS 22 GLU 23 LYS 24 VAL 25 THR 26 ILE 27 ASN 28 VAL 29 GLU 30 LYS 31 ILE 32 GLU 33 GLU 34 SER 35 LYS 36 VAL 37 GLU 38 GLU 39 GLU 40 ILE 41 ALA 42 LYS 43 PHE 44 ARG 45 LYS 46 ALA 47 LEU 48 GLU 49 VAL 50 THR 51 GLN 52 GLU 53 GLU 54 ILE 55 GLU 56 LYS 57 ILE 58 LYS 59 GLU 60 LYS 61 ALA 62 LEU 63 LYS 64 GLU 65 PHE 66 GLY 67 LYS 68 GLU 69 LYS 70 ALA 71 GLU 72 ILE 73 PHE 74 GLU 75 ALA 76 HIS 77 LEU 78 MET 79 LEU 80 ALA 81 SER 82 ASP 83 PRO 84 GLU 85 LEU 86 ILE 87 GLU 88 GLY 89 VAL 90 GLU 91 ASN 92 MET 93 ILE 94 LYS 95 THR 96 GLU 97 LEU 98 VAL 99 THR 100 ALA 101 ASP 102 ASN 103 ALA 104 VAL 105 ASN 106 LYS 107 VAL 108 ILE 109 GLU 110 GLN 111 ASN 112 ALA 113 SER 114 VAL 115 MET 116 GLU 117 SER 118 LEU 119 ASN 120 ASP 121 GLU 122 TYR 123 LEU 124 LYS 125 GLU 126 ARG 127 ALA 128 VAL 129 ASP 130 LEU 131 ARG 132 ASP 133 VAL 134 GLY 135 ASN 136 ARG 137 ILE 138 ILE 139 GLU 140 ASN 141 LEU 142 LEU 143 GLY 144 VAL 145 LYS 146 SER 147 VAL 148 ASN 149 LEU 150 SER 151 ASP 152 LEU 153 GLU 154 GLU 155 GLU 156 VAL 157 VAL 158 VAL 159 ILE 160 ALA 161 ARG 162 ASP 163 LEU 164 THR 165 PRO 166 SER 167 ASP 168 THR 169 ALA 170 THR 171 MET 172 LYS 173 LYS 174 GLU 175 MET 176 VAL 177 LEU 178 GLY 179 PHE 180 ALA 181 THR 182 ASP 183 VAL 184 GLY 185 GLY 186 ILE 187 THR 188 SER 189 NEP 190 THR 191 ALA 192 ILE 193 MET 194 ALA 195 ARG 196 SER 197 LEU 198 GLU 199 ILE 200 PRO 201 ALA 202 VAL 203 VAL 204 GLY 205 LEU 206 GLY 207 ASN 208 VAL 209 THR 210 SER 211 GLN 212 VAL 213 LYS 214 ALA 215 GLY 216 ASP 217 LEU 218 VAL 219 ILE 220 VAL 221 ASP 222 GLY 223 LEU 224 GLU 225 GLY 226 ILE 227 VAL 228 ILE 229 VAL 230 ASN 231 PRO 232 ASP 233 GLU 234 LYS 235 THR 236 VAL 237 GLU 238 ASP 239 TYR 240 LYS 241 SER 242 LYS 243 LYS 244 GLU 245 SER 246 TYR 247 GLU 248 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_NEP _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common N1-PHOSPHONOHISTIDINE _BMRB_code NEP _PDB_code NEP _Standard_residue_derivative . _Molecular_mass 235.134 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? ND1 ND1 N . 0 . ? CD2 CD2 C . 0 . ? CE1 CE1 C . 0 . ? NE2 NE2 N . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HD2 HD2 H . 0 . ? HE1 HE1 H . 0 . ? HOP1 HOP1 H . 0 . ? HOP2 HOP2 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG ND1 ? ? DOUB CG CD2 ? ? DOUB ND1 CE1 ? ? SING CD2 NE2 ? ? SING CD2 HD2 ? ? SING CE1 NE2 ? ? SING CE1 HE1 ? ? SING NE2 P ? ? SING P O1P ? ? SING P O2P ? ? DOUB P O3P ? ? SING O1P HOP1 ? ? SING O2P HOP2 ? ? SING OXT HXT ? ? stop_ save_ ############# # Ligands # ############# save_PEP _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common PHOSPHOENOLPYRUVATE _BMRB_code PEP _PDB_code PEP _Molecular_mass 168.042 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2' O2' O . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? O2 O2 O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? HO2 HO2 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 O1 ? ? SING C1 O2' ? ? SING C1 C2 ? ? SING O2' HO2 ? ? DOUB C2 C3 ? ? SING C2 O2 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING O2 P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Caldanaerobacter subterraneus' 911092 Bacteria . Caldanaerobacter subterraneus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pet21A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val]' D2O 10 % 'natural abundance' TRIS-HCl 20 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'magnesium chloride' 4 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRFAM-SPARKY _Version . loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'Backbone assignment at 313K; ILV assignments at 283K' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 313 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'Backbone assignment at 313K; ILV assignments at 283K' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . pH pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio na C 13 na na 4.7 na direct . . . 1 na H 1 na na 4.7 na direct . . . 1 na N 15 na na 4.7 na direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'Phosphorylated tEIN' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 174.807 0.00 1 2 1 1 MET CA C 55.841 0.00 1 3 1 1 MET CB C 34.465 0.00 1 4 2 2 LEU H H 8.974 0.00 1 5 2 2 LEU C C 176.060 1.08 1 6 2 2 LEU CA C 54.261 0.14 1 7 2 2 LEU CB C 42.927 0.03 1 8 2 2 LEU N N 124.960 0.03 1 9 3 3 LYS H H 8.343 0.00 1 10 3 3 LYS C C 176.202 0.02 1 11 3 3 LYS CA C 55.212 0.00 1 12 3 3 LYS CB C 33.581 0.08 1 13 3 3 LYS N N 122.896 0.01 1 14 4 4 GLY H H 8.524 0.00 1 15 4 4 GLY C C 171.781 0.03 1 16 4 4 GLY CA C 44.405 0.03 1 17 4 4 GLY N N 114.762 0.01 1 18 5 5 VAL H H 8.898 0.00 1 19 5 5 VAL C C 176.017 0.02 1 20 5 5 VAL CA C 61.179 0.00 1 21 5 5 VAL CB C 32.563 0.01 1 22 5 5 VAL N N 125.557 0.01 1 23 6 6 ALA H H 8.898 0.00 1 24 6 6 ALA C C 175.456 0.03 1 25 6 6 ALA CA C 52.703 0.00 1 26 6 6 ALA CB C 16.494 0.02 1 27 6 6 ALA N N 131.813 0.01 1 28 7 7 ALA H H 8.121 0.00 1 29 7 7 ALA C C 176.030 0.03 1 30 7 7 ALA CA C 52.468 0.06 1 31 7 7 ALA CB C 21.087 0.03 1 32 7 7 ALA N N 128.628 0.02 1 33 8 8 SER H H 7.644 0.00 1 34 8 8 SER C C 173.381 0.00 1 35 8 8 SER CA C 54.286 0.00 1 36 8 8 SER CB C 64.164 0.00 1 37 8 8 SER N N 112.624 0.01 1 38 9 9 PRO C C 175.126 0.00 1 39 9 9 PRO CA C 62.780 0.00 1 40 9 9 PRO CB C 32.377 0.00 1 41 10 10 GLY H H 5.642 0.00 1 42 10 10 GLY C C 171.425 0.03 1 43 10 10 GLY CA C 42.987 0.04 1 44 10 10 GLY N N 102.839 0.02 1 45 11 11 ILE H H 8.632 0.01 1 46 11 11 ILE C C 173.945 0.04 1 47 11 11 ILE CA C 59.118 0.01 1 48 11 11 ILE CB C 40.809 0.02 1 49 11 11 ILE N N 119.412 0.01 1 50 12 12 ALA H H 8.967 0.00 1 51 12 12 ALA C C 175.300 0.02 1 52 12 12 ALA CA C 49.304 0.02 1 53 12 12 ALA CB C 21.948 0.03 1 54 12 12 ALA N N 129.067 0.02 1 55 13 13 ILE H H 8.473 0.00 1 56 13 13 ILE C C 175.485 0.00 1 57 13 13 ILE CA C 59.710 0.05 1 58 13 13 ILE CB C 40.216 0.00 1 59 13 13 ILE N N 121.336 0.01 1 60 14 14 GLY H H 8.620 0.00 1 61 14 14 GLY C C 170.509 0.02 1 62 14 14 GLY CA C 45.244 0.05 1 63 14 14 GLY N N 112.103 0.01 1 64 15 15 LYS H H 8.774 0.00 1 65 15 15 LYS C C 176.756 0.03 1 66 15 15 LYS CA C 55.620 0.01 1 67 15 15 LYS CB C 33.052 0.03 1 68 15 15 LYS N N 120.763 0.02 1 69 16 16 ALA H H 9.126 0.00 1 70 16 16 ALA C C 177.911 0.04 1 71 16 16 ALA CA C 52.067 0.00 1 72 16 16 ALA CB C 19.729 0.06 1 73 16 16 ALA N N 124.217 0.01 1 74 17 17 PHE H H 9.240 0.00 1 75 17 17 PHE C C 173.199 0.02 1 76 17 17 PHE CA C 56.983 0.01 1 77 17 17 PHE CB C 41.495 0.03 1 78 17 17 PHE N N 126.959 0.02 1 79 18 18 LEU H H 7.749 0.00 1 80 18 18 LEU C C 174.576 0.03 1 81 18 18 LEU CA C 53.223 0.01 1 82 18 18 LEU CB C 40.930 0.13 1 83 18 18 LEU N N 130.896 0.02 1 84 19 19 TYR H H 9.095 0.00 1 85 19 19 TYR C C 174.173 0.40 1 86 19 19 TYR CA C 55.324 0.01 1 87 19 19 TYR CB C 38.269 0.01 1 88 19 19 TYR N N 129.159 0.02 1 89 20 20 THR H H 7.606 0.00 1 90 20 20 THR C C 172.918 0.04 1 91 20 20 THR CA C 59.541 0.03 1 92 20 20 THR CB C 69.787 0.06 1 93 20 20 THR N N 118.932 0.01 1 94 21 21 LYS H H 8.046 0.00 1 95 21 21 LYS C C 176.271 0.00 1 96 21 21 LYS CA C 55.222 0.01 1 97 21 21 LYS CB C 32.158 0.08 1 98 21 21 LYS N N 123.087 0.00 1 99 22 22 GLU H H 8.379 0.00 1 100 22 22 GLU C C 176.161 0.01 1 101 22 22 GLU CA C 55.539 0.00 1 102 22 22 GLU CB C 29.825 0.01 1 103 22 22 GLU N N 123.950 0.02 1 104 23 23 LYS H H 8.350 0.00 1 105 23 23 LYS C C 176.671 0.03 1 106 23 23 LYS CA C 55.636 0.04 1 107 23 23 LYS CB C 32.085 0.04 1 108 23 23 LYS N N 123.947 0.02 1 109 24 24 VAL H H 8.162 0.01 1 110 24 24 VAL C C 175.648 0.02 1 111 24 24 VAL CA C 61.466 0.00 1 112 24 24 VAL CB C 32.188 0.02 1 113 24 24 VAL N N 122.801 0.02 1 114 25 25 THR H H 8.127 0.00 1 115 25 25 THR C C 173.216 0.02 1 116 25 25 THR CA C 61.330 0.03 1 117 25 25 THR CB C 69.344 0.01 1 118 25 25 THR N N 121.744 0.03 1 119 26 26 ILE H H 7.955 0.01 1 120 26 26 ILE C C 176.051 0.03 1 121 26 26 ILE CA C 58.743 0.01 1 122 26 26 ILE CB C 36.959 0.01 1 123 26 26 ILE N N 126.149 0.03 1 124 27 27 ASN H H 9.319 0.00 1 125 27 27 ASN C C 175.677 0.03 1 126 27 27 ASN CA C 52.820 0.00 1 127 27 27 ASN CB C 38.571 0.04 1 128 27 27 ASN N N 127.566 0.03 1 129 28 28 VAL H H 7.984 0.00 1 130 28 28 VAL C C 176.823 0.03 1 131 28 28 VAL CA C 60.766 0.07 1 132 28 28 VAL CB C 30.578 0.03 1 133 28 28 VAL N N 117.533 0.01 1 134 29 29 GLU H H 7.900 0.00 1 135 29 29 GLU C C 176.477 0.03 1 136 29 29 GLU CA C 56.103 0.00 1 137 29 29 GLU CB C 29.662 0.02 1 138 29 29 GLU N N 123.610 0.01 1 139 30 30 LYS H H 8.288 0.00 1 140 30 30 LYS C C 178.370 0.01 1 141 30 30 LYS CA C 55.300 0.01 1 142 30 30 LYS CB C 32.404 0.03 1 143 30 30 LYS N N 122.256 0.02 1 144 31 31 ILE H H 8.085 0.00 1 145 31 31 ILE C C 175.511 0.03 1 146 31 31 ILE CA C 59.246 0.00 1 147 31 31 ILE CB C 39.407 0.01 1 148 31 31 ILE N N 116.455 0.01 1 149 32 32 GLU H H 7.859 0.00 1 150 32 32 GLU C C 178.433 0.02 1 151 32 32 GLU CA C 55.417 0.00 1 152 32 32 GLU CB C 30.305 0.00 1 153 32 32 GLU N N 118.522 0.01 1 154 33 33 GLU H H 9.040 0.00 1 155 33 33 GLU C C 178.657 0.07 1 156 33 33 GLU CA C 59.525 0.01 1 157 33 33 GLU CB C 28.723 0.07 1 158 33 33 GLU N N 122.850 0.02 1 159 34 34 SER H H 8.121 0.00 1 160 34 34 SER C C 175.676 0.01 1 161 34 34 SER CA C 59.552 0.03 1 162 34 34 SER CB C 62.002 0.04 1 163 34 34 SER N N 112.064 0.03 1 164 35 35 LYS H H 7.995 0.00 1 165 35 35 LYS C C 176.736 0.03 1 166 35 35 LYS CA C 54.990 0.00 1 167 35 35 LYS CB C 32.008 0.03 1 168 35 35 LYS N N 121.747 0.05 1 169 36 36 VAL H H 7.364 0.00 1 170 36 36 VAL C C 177.465 0.02 1 171 36 36 VAL CA C 66.739 0.00 1 172 36 36 VAL CB C 31.674 0.05 1 173 36 36 VAL N N 122.460 0.01 1 174 37 37 GLU H H 8.539 0.00 1 175 37 37 GLU C C 179.760 0.01 1 176 37 37 GLU CA C 59.793 0.00 1 177 37 37 GLU CB C 27.988 0.01 1 178 37 37 GLU N N 117.844 0.01 1 179 38 38 GLU H H 7.994 0.00 1 180 38 38 GLU C C 179.006 0.01 1 181 38 38 GLU CA C 58.843 0.03 1 182 38 38 GLU CB C 28.852 0.11 1 183 38 38 GLU N N 121.406 0.03 1 184 39 39 GLU H H 8.187 0.00 1 185 39 39 GLU C C 179.322 0.02 1 186 39 39 GLU CA C 59.023 0.02 1 187 39 39 GLU CB C 29.018 0.00 1 188 39 39 GLU N N 122.261 0.03 1 189 40 40 ILE H H 8.569 0.00 1 190 40 40 ILE C C 178.046 0.00 1 191 40 40 ILE CA C 65.879 0.02 1 192 40 40 ILE CB C 36.819 0.04 1 193 40 40 ILE N N 120.698 0.01 1 194 41 41 ALA H H 8.185 0.00 1 195 41 41 ALA C C 181.200 0.02 1 196 41 41 ALA CA C 55.187 0.04 1 197 41 41 ALA CB C 17.264 0.06 1 198 41 41 ALA N N 122.649 0.02 1 199 42 42 LYS H H 8.220 0.01 1 200 42 42 LYS C C 179.957 0.01 1 201 42 42 LYS CA C 59.570 0.02 1 202 42 42 LYS CB C 31.632 0.03 1 203 42 42 LYS N N 120.191 0.04 1 204 43 43 PHE H H 8.203 0.00 1 205 43 43 PHE C C 175.606 0.03 1 206 43 43 PHE CA C 60.096 0.03 1 207 43 43 PHE CB C 37.474 0.01 1 208 43 43 PHE N N 120.971 0.02 1 209 44 44 ARG H H 8.748 0.00 1 210 44 44 ARG C C 179.567 0.03 1 211 44 44 ARG CA C 58.993 0.02 1 212 44 44 ARG CB C 28.209 0.11 1 213 44 44 ARG N N 119.084 0.01 1 214 45 45 LYS H H 7.995 0.00 1 215 45 45 LYS C C 177.862 0.14 1 216 45 45 LYS CA C 58.162 0.00 1 217 45 45 LYS CB C 30.784 0.07 1 218 45 45 LYS N N 120.325 0.02 1 219 46 46 ALA H H 8.059 0.00 1 220 46 46 ALA C C 181.740 0.02 1 221 46 46 ALA CA C 54.477 0.01 1 222 46 46 ALA CB C 18.072 0.04 1 223 46 46 ALA N N 121.602 0.01 1 224 47 47 LEU H H 8.803 0.00 1 225 47 47 LEU C C 178.103 0.04 1 226 47 47 LEU CA C 57.846 0.00 1 227 47 47 LEU CB C 40.843 0.01 1 228 47 47 LEU N N 123.698 0.02 1 229 48 48 GLU H H 7.681 0.00 1 230 48 48 GLU C C 179.721 0.01 1 231 48 48 GLU CA C 59.477 0.00 1 232 48 48 GLU CB C 28.898 0.00 1 233 48 48 GLU N N 121.133 0.01 1 234 49 49 VAL H H 8.169 0.00 1 235 49 49 VAL C C 178.543 0.01 1 236 49 49 VAL CA C 65.670 0.01 1 237 49 49 VAL CB C 31.376 0.00 1 238 49 49 VAL N N 119.436 0.04 1 239 50 50 THR H H 8.044 0.00 1 240 50 50 THR C C 175.964 0.07 1 241 50 50 THR CA C 67.592 0.03 1 242 50 50 THR CB C 68.773 0.00 1 243 50 50 THR N N 118.760 0.04 1 244 51 51 GLN H H 8.512 0.00 1 245 51 51 GLN C C 177.839 0.02 1 246 51 51 GLN CA C 59.694 0.09 1 247 51 51 GLN CB C 27.449 0.42 1 248 51 51 GLN N N 120.823 0.01 1 249 52 52 GLU H H 7.895 0.00 1 250 52 52 GLU C C 179.170 0.02 1 251 52 52 GLU CA C 59.201 0.03 1 252 52 52 GLU CB C 28.740 0.07 1 253 52 52 GLU N N 119.311 0.02 1 254 53 53 GLU H H 8.363 0.00 1 255 53 53 GLU C C 179.706 0.00 1 256 53 53 GLU CA C 59.245 0.00 1 257 53 53 GLU CB C 29.053 0.00 1 258 53 53 GLU N N 120.266 0.02 1 259 54 54 ILE C C 177.794 0.00 1 260 54 54 ILE CA C 65.148 0.00 1 261 54 54 ILE CB C 37.069 0.00 1 262 55 55 GLU H H 8.393 0.00 1 263 55 55 GLU C C 179.168 0.02 1 264 55 55 GLU CA C 59.690 0.13 1 265 55 55 GLU CB C 27.846 0.02 1 266 55 55 GLU N N 121.264 0.02 1 267 56 56 LYS H H 7.885 0.00 1 268 56 56 LYS C C 180.072 0.01 1 269 56 56 LYS CA C 59.093 0.01 1 270 56 56 LYS CB C 31.300 0.00 1 271 56 56 LYS N N 119.279 0.02 1 272 57 57 ILE H H 7.919 0.01 1 273 57 57 ILE C C 177.786 0.01 1 274 57 57 ILE CA C 64.816 0.00 1 275 57 57 ILE CB C 36.831 0.06 1 276 57 57 ILE N N 122.688 0.04 1 277 58 58 LYS H H 8.532 0.00 1 278 58 58 LYS C C 177.810 0.02 1 279 58 58 LYS CA C 60.111 0.03 1 280 58 58 LYS CB C 31.069 0.07 1 281 58 58 LYS N N 122.505 0.02 1 282 59 59 GLU H H 8.007 0.00 1 283 59 59 GLU C C 179.094 0.02 1 284 59 59 GLU CA C 58.968 0.00 1 285 59 59 GLU CB C 28.873 0.05 1 286 59 59 GLU N N 118.655 0.04 1 287 60 60 LYS H H 7.712 0.00 1 288 60 60 LYS C C 178.514 0.02 1 289 60 60 LYS CA C 59.053 0.01 1 290 60 60 LYS CB C 31.542 0.02 1 291 60 60 LYS N N 121.091 0.01 1 292 61 61 ALA H H 8.578 0.00 1 293 61 61 ALA C C 179.936 0.00 1 294 61 61 ALA CA C 54.694 0.00 1 295 61 61 ALA CB C 17.296 0.02 1 296 61 61 ALA N N 122.011 0.03 1 297 62 62 LEU H H 8.472 0.00 1 298 62 62 LEU C C 178.974 0.02 1 299 62 62 LEU CA C 57.681 0.00 1 300 62 62 LEU CB C 41.127 0.01 1 301 62 62 LEU N N 120.089 0.01 1 302 63 63 LYS H H 7.563 0.00 1 303 63 63 LYS C C 178.245 0.02 1 304 63 63 LYS CA C 58.365 0.01 1 305 63 63 LYS CB C 32.071 0.00 1 306 63 63 LYS N N 117.897 0.01 1 307 64 64 GLU H H 8.174 0.00 1 308 64 64 GLU C C 177.394 0.04 1 309 64 64 GLU CA C 57.707 0.02 1 310 64 64 GLU CB C 29.993 0.02 1 311 64 64 GLU N N 116.769 0.01 1 312 65 65 PHE H H 8.525 0.00 1 313 65 65 PHE C C 176.584 0.03 1 314 65 65 PHE CA C 57.677 0.00 1 315 65 65 PHE CB C 41.127 0.02 1 316 65 65 PHE N N 115.400 0.01 1 317 66 66 GLY H H 8.100 0.00 1 318 66 66 GLY C C 174.387 0.03 1 319 66 66 GLY CA C 44.350 0.01 1 320 66 66 GLY N N 110.071 0.02 1 321 67 67 LYS H H 8.471 0.00 1 322 67 67 LYS C C 178.198 0.00 1 323 67 67 LYS CA C 59.383 0.00 1 324 67 67 LYS CB C 31.991 0.01 1 325 67 67 LYS N N 119.664 0.02 1 326 68 68 GLU H H 8.871 0.00 1 327 68 68 GLU C C 177.453 1.68 1 328 68 68 GLU CA C 59.539 0.02 1 329 68 68 GLU CB C 28.078 0.08 1 330 68 68 GLU N N 118.660 0.01 1 331 69 69 LYS H H 7.604 0.00 1 332 69 69 LYS C C 176.749 1.00 1 333 69 69 LYS CA C 56.685 0.00 1 334 69 69 LYS CB C 31.322 0.08 1 335 69 69 LYS N N 117.891 0.02 1 336 70 70 ALA H H 7.695 0.00 1 337 70 70 ALA C C 178.548 0.57 1 338 70 70 ALA CA C 54.411 0.01 1 339 70 70 ALA CB C 18.443 0.00 1 340 70 70 ALA N N 119.975 0.04 1 341 71 71 GLU H H 7.874 0.00 1 342 71 71 GLU C C 179.145 0.02 1 343 71 71 GLU CA C 58.739 0.00 1 344 71 71 GLU CB C 28.858 0.01 1 345 71 71 GLU N N 116.918 0.01 1 346 72 72 ILE H H 7.281 0.00 1 347 72 72 ILE C C 176.880 0.02 1 348 72 72 ILE CA C 63.460 0.00 1 349 72 72 ILE CB C 36.770 0.04 1 350 72 72 ILE N N 119.925 0.02 1 351 73 73 PHE H H 6.791 0.00 1 352 73 73 PHE C C 177.806 0.00 1 353 73 73 PHE CA C 60.004 0.00 1 354 73 73 PHE CB C 37.609 0.00 1 355 73 73 PHE N N 116.776 0.00 1 356 74 74 GLU C C 179.338 0.00 1 357 74 74 GLU CA C 59.045 0.00 1 358 74 74 GLU CB C 28.452 0.00 1 359 75 75 ALA H H 7.601 0.00 1 360 75 75 ALA C C 180.595 0.02 1 361 75 75 ALA CA C 54.833 0.01 1 362 75 75 ALA CB C 16.876 0.06 1 363 75 75 ALA N N 121.864 0.02 1 364 76 76 HIS H H 7.942 0.00 1 365 76 76 HIS C C 177.620 0.00 1 366 76 76 HIS CA C 59.409 0.03 1 367 76 76 HIS CB C 31.160 0.05 1 368 76 76 HIS N N 118.256 0.02 1 369 77 77 LEU H H 8.124 0.00 1 370 77 77 LEU C C 179.692 0.01 1 371 77 77 LEU CA C 57.666 0.01 1 372 77 77 LEU CB C 40.790 0.04 1 373 77 77 LEU N N 119.694 0.01 1 374 78 78 MET H H 8.009 0.00 1 375 78 78 MET C C 178.695 0.86 1 376 78 78 MET CA C 58.137 0.06 1 377 78 78 MET N N 120.127 0.05 1 378 79 79 LEU H H 7.992 0.00 1 379 79 79 LEU C C 178.396 0.02 1 380 79 79 LEU CA C 57.659 0.02 1 381 79 79 LEU CB C 40.978 0.00 1 382 79 79 LEU N N 121.160 0.03 1 383 80 80 ALA H H 7.974 0.00 1 384 80 80 ALA C C 175.512 0.02 1 385 80 80 ALA CA C 52.832 0.00 1 386 80 80 ALA CB C 17.373 0.02 1 387 80 80 ALA N N 116.384 0.01 1 388 81 81 SER H H 7.234 0.00 1 389 81 81 SER C C 173.873 0.03 1 390 81 81 SER CA C 56.427 0.01 1 391 81 81 SER CB C 63.486 0.01 1 392 81 81 SER N N 108.034 0.02 1 393 82 82 ASP H H 7.088 0.00 1 394 82 82 ASP C C 175.454 0.00 1 395 82 82 ASP CA C 51.998 0.00 1 396 82 82 ASP CB C 42.353 0.00 1 397 82 82 ASP N N 125.564 0.02 1 398 83 83 PRO C C 179.049 0.00 1 399 83 83 PRO CA C 64.697 0.00 1 400 83 83 PRO CB C 31.604 0.00 1 401 84 84 GLU H H 8.453 0.00 1 402 84 84 GLU C C 180.512 0.02 1 403 84 84 GLU CA C 58.843 0.00 1 404 84 84 GLU CB C 28.737 0.01 1 405 84 84 GLU N N 117.612 0.00 1 406 85 85 LEU H H 7.604 0.00 1 407 85 85 LEU C C 177.659 0.02 1 408 85 85 LEU CA C 58.045 0.00 1 409 85 85 LEU CB C 40.842 0.06 1 410 85 85 LEU N N 124.293 0.03 1 411 86 86 ILE H H 7.522 0.00 1 412 86 86 ILE C C 177.658 0.02 1 413 86 86 ILE CA C 65.945 0.01 1 414 86 86 ILE CB C 38.090 0.01 1 415 86 86 ILE N N 118.645 0.01 1 416 87 87 GLU H H 8.310 0.00 1 417 87 87 GLU C C 179.190 0.03 1 418 87 87 GLU CA C 58.662 0.00 1 419 87 87 GLU CB C 28.815 0.02 1 420 87 87 GLU N N 117.764 0.01 1 421 88 88 GLY H H 7.798 0.00 1 422 88 88 GLY C C 176.860 0.03 1 423 88 88 GLY CA C 46.725 0.01 1 424 88 88 GLY N N 106.756 0.01 1 425 89 89 VAL H H 8.165 0.00 1 426 89 89 VAL C C 177.556 0.03 1 427 89 89 VAL CA C 66.577 0.00 1 428 89 89 VAL CB C 31.224 0.04 1 429 89 89 VAL N N 123.433 0.02 1 430 90 90 GLU H H 8.189 0.00 1 431 90 90 GLU C C 178.958 0.01 1 432 90 90 GLU CA C 60.892 0.01 1 433 90 90 GLU CB C 28.263 0.06 1 434 90 90 GLU N N 118.298 0.01 1 435 91 91 ASN H H 8.672 0.00 1 436 91 91 ASN C C 178.195 0.02 1 437 91 91 ASN CA C 55.983 0.01 1 438 91 91 ASN CB C 38.015 0.01 1 439 91 91 ASN N N 115.217 0.00 1 440 92 92 MET H H 7.799 0.00 1 441 92 92 MET C C 178.215 0.02 1 442 92 92 MET CA C 59.057 0.01 1 443 92 92 MET CB C 31.392 0.05 1 444 92 92 MET N N 123.064 0.02 1 445 93 93 ILE H H 7.989 0.00 1 446 93 93 ILE C C 177.950 0.21 1 447 93 93 ILE CA C 66.375 0.00 1 448 93 93 ILE CB C 38.301 0.00 1 449 93 93 ILE N N 120.321 0.02 1 450 94 94 LYS H H 7.538 0.00 1 451 94 94 LYS C C 177.798 0.03 1 452 94 94 LYS CA C 59.133 0.00 1 453 94 94 LYS CB C 32.880 0.00 1 454 94 94 LYS N N 113.313 0.01 1 455 95 95 THR H H 8.228 0.00 1 456 95 95 THR C C 176.272 0.03 1 457 95 95 THR CA C 64.163 0.00 1 458 95 95 THR CB C 69.635 0.01 1 459 95 95 THR N N 109.476 0.01 1 460 96 96 GLU H H 8.315 0.00 1 461 96 96 GLU C C 179.151 0.00 1 462 96 96 GLU CA C 55.892 0.02 1 463 96 96 GLU CB C 29.492 0.01 1 464 96 96 GLU N N 120.060 0.01 1 465 97 97 LEU H H 7.607 0.01 1 466 97 97 LEU C C 176.744 0.96 1 467 97 97 LEU CA C 55.543 0.04 1 468 97 97 LEU CB C 36.061 0.04 1 469 97 97 LEU N N 117.895 0.02 1 470 98 98 VAL H H 6.408 0.00 1 471 98 98 VAL C C 174.103 0.02 1 472 98 98 VAL CA C 57.450 0.01 1 473 98 98 VAL CB C 33.681 0.01 1 474 98 98 VAL N N 107.822 0.02 1 475 99 99 THR H H 8.711 0.00 1 476 99 99 THR C C 176.701 0.02 1 477 99 99 THR CA C 60.712 0.00 1 478 99 99 THR CB C 70.558 0.04 1 479 99 99 THR N N 106.907 0.01 1 480 100 100 ALA H H 10.574 0.00 1 481 100 100 ALA C C 178.457 0.02 1 482 100 100 ALA CA C 55.042 0.01 1 483 100 100 ALA CB C 18.694 0.00 1 484 100 100 ALA N N 122.208 0.01 1 485 101 101 ASP H H 9.190 0.00 1 486 101 101 ASP C C 176.493 0.03 1 487 101 101 ASP CA C 56.127 0.00 1 488 101 101 ASP CB C 39.159 0.02 1 489 101 101 ASP N N 112.018 0.01 1 490 102 102 ASN H H 7.082 0.00 1 491 102 102 ASN C C 176.686 0.07 1 492 102 102 ASN CA C 54.844 0.01 1 493 102 102 ASN CB C 38.161 0.07 1 494 102 102 ASN N N 119.756 0.01 1 495 103 103 ALA H H 8.557 0.00 1 496 103 103 ALA C C 179.033 0.03 1 497 103 103 ALA CA C 54.884 0.00 1 498 103 103 ALA CB C 19.553 0.01 1 499 103 103 ALA N N 120.032 0.01 1 500 104 104 VAL H H 8.536 0.00 1 501 104 104 VAL C C 176.868 0.03 1 502 104 104 VAL CA C 66.648 0.00 1 503 104 104 VAL CB C 31.137 0.01 1 504 104 104 VAL N N 115.944 0.01 1 505 105 105 ASN H H 7.606 0.00 1 506 105 105 ASN C C 177.010 0.05 1 507 105 105 ASN CA C 57.340 0.01 1 508 105 105 ASN CB C 39.546 0.02 1 509 105 105 ASN N N 116.559 0.01 1 510 106 106 LYS H H 8.604 0.00 1 511 106 106 LYS C C 179.692 0.01 1 512 106 106 LYS CA C 59.338 0.04 1 513 106 106 LYS CB C 32.056 0.00 1 514 106 106 LYS N N 117.531 0.02 1 515 107 107 VAL H H 8.529 0.00 1 516 107 107 VAL C C 178.880 0.02 1 517 107 107 VAL CA C 66.447 0.01 1 518 107 107 VAL CB C 31.165 0.04 1 519 107 107 VAL N N 121.515 0.05 1 520 108 108 ILE H H 8.595 0.00 1 521 108 108 ILE C C 177.860 0.03 1 522 108 108 ILE CA C 63.131 0.00 1 523 108 108 ILE CB C 34.398 0.05 1 524 108 108 ILE N N 120.709 0.02 1 525 109 109 GLU H H 8.110 0.00 1 526 109 109 GLU C C 179.916 0.02 1 527 109 109 GLU CA C 59.098 0.01 1 528 109 109 GLU CB C 28.413 0.02 1 529 109 109 GLU N N 118.807 0.01 1 530 110 110 GLN H H 8.234 0.00 1 531 110 110 GLN C C 178.423 0.02 1 532 110 110 GLN CA C 58.642 0.03 1 533 110 110 GLN CB C 27.740 0.06 1 534 110 110 GLN N N 119.862 0.01 1 535 111 111 ASN H H 8.261 0.00 1 536 111 111 ASN C C 177.980 0.03 1 537 111 111 ASN CA C 55.980 0.00 1 538 111 111 ASN CB C 37.913 0.01 1 539 111 111 ASN N N 118.858 0.02 1 540 112 112 ALA H H 9.260 0.00 1 541 112 112 ALA C C 179.065 0.03 1 542 112 112 ALA CA C 55.127 0.01 1 543 112 112 ALA CB C 17.269 0.06 1 544 112 112 ALA N N 123.815 0.01 1 545 113 113 SER H H 8.033 0.00 1 546 113 113 SER C C 178.387 0.65 1 547 113 113 SER CA C 61.489 0.00 1 548 113 113 SER CB C 62.022 0.03 1 549 113 113 SER N N 113.004 0.04 1 550 114 114 VAL H H 7.481 0.00 1 551 114 114 VAL C C 179.429 0.02 1 552 114 114 VAL CA C 65.892 0.01 1 553 114 114 VAL CB C 31.203 0.02 1 554 114 114 VAL N N 122.866 0.02 1 555 115 115 MET H H 7.687 0.00 1 556 115 115 MET C C 178.563 0.53 1 557 115 115 MET CA C 59.483 0.00 1 558 115 115 MET CB C 33.020 0.06 1 559 115 115 MET N N 120.039 0.03 1 560 116 116 GLU H H 8.123 0.00 1 561 116 116 GLU C C 177.419 0.02 1 562 116 116 GLU CA C 57.879 0.01 1 563 116 116 GLU CB C 28.800 0.01 1 564 116 116 GLU N N 115.522 0.01 1 565 117 117 SER H H 7.736 0.00 1 566 117 117 SER C C 174.618 0.03 1 567 117 117 SER CA C 59.296 0.01 1 568 117 117 SER CB C 63.493 0.02 1 569 117 117 SER N N 115.077 0.01 1 570 118 118 LEU H H 7.040 0.00 1 571 118 118 LEU C C 176.725 0.00 1 572 118 118 LEU CA C 54.960 0.00 1 573 118 118 LEU CB C 41.283 0.00 1 574 118 118 LEU N N 122.097 0.01 1 575 121 121 GLU C C 178.018 0.00 1 576 121 121 GLU CA C 59.483 0.00 1 577 121 121 GLU CB C 28.943 0.00 1 578 122 122 TYR H H 8.184 0.00 1 579 122 122 TYR C C 178.296 0.04 1 580 122 122 TYR CA C 60.439 0.01 1 581 122 122 TYR CB C 36.915 0.01 1 582 122 122 TYR N N 120.221 0.03 1 583 123 123 LEU H H 8.019 0.00 1 584 123 123 LEU C C 178.962 0.02 1 585 123 123 LEU CA C 56.724 0.00 1 586 123 123 LEU CB C 40.835 0.01 1 587 123 123 LEU N N 120.764 0.01 1 588 124 124 LYS H H 7.973 0.00 1 589 124 124 LYS C C 179.315 0.01 1 590 124 124 LYS CA C 59.733 0.00 1 591 124 124 LYS CB C 31.355 0.06 1 592 124 124 LYS N N 119.645 0.02 1 593 125 125 GLU H H 7.524 0.00 1 594 125 125 GLU C C 178.875 0.02 1 595 125 125 GLU CA C 58.513 0.00 1 596 125 125 GLU CB C 28.201 0.02 1 597 125 125 GLU N N 118.914 0.02 1 598 126 126 ARG H H 7.831 0.00 1 599 126 126 ARG C C 177.853 0.03 1 600 126 126 ARG CA C 57.829 0.05 1 601 126 126 ARG CB C 29.639 0.08 1 602 126 126 ARG N N 119.902 0.04 1 603 127 127 ALA H H 7.940 0.00 1 604 127 127 ALA C C 179.329 0.02 1 605 127 127 ALA CA C 55.001 0.00 1 606 127 127 ALA CB C 18.357 0.04 1 607 127 127 ALA N N 122.754 0.01 1 608 128 128 VAL H H 7.266 0.00 1 609 128 128 VAL C C 179.000 0.01 1 610 128 128 VAL CA C 65.827 0.00 1 611 128 128 VAL CB C 30.966 0.03 1 612 128 128 VAL N N 118.264 0.01 1 613 129 129 ASP H H 7.440 0.00 1 614 129 129 ASP C C 177.630 0.00 1 615 129 129 ASP CA C 57.213 0.01 1 616 129 129 ASP CB C 39.980 0.00 1 617 129 129 ASP N N 121.318 0.01 1 618 130 130 LEU H H 8.499 0.01 1 619 130 130 LEU C C 178.764 0.00 1 620 130 130 LEU CA C 57.547 0.11 1 621 130 130 LEU CB C 40.642 0.01 1 622 130 130 LEU N N 120.717 0.02 1 623 131 131 ARG H H 7.919 0.00 1 624 131 131 ARG C C 178.930 0.05 1 625 131 131 ARG CA C 59.903 0.02 1 626 131 131 ARG CB C 28.687 0.08 1 627 131 131 ARG N N 118.078 0.03 1 628 132 132 ASP H H 7.939 0.00 1 629 132 132 ASP C C 179.113 0.09 1 630 132 132 ASP CA C 57.461 0.01 1 631 132 132 ASP CB C 40.820 0.02 1 632 132 132 ASP N N 122.037 0.02 1 633 133 133 VAL H H 8.386 0.00 1 634 133 133 VAL C C 178.352 0.02 1 635 133 133 VAL CA C 66.703 0.00 1 636 133 133 VAL CB C 31.198 0.02 1 637 133 133 VAL N N 121.727 0.03 1 638 134 134 GLY H H 8.971 0.00 1 639 134 134 GLY C C 174.880 0.02 1 640 134 134 GLY CA C 47.783 0.03 1 641 134 134 GLY N N 107.206 0.01 1 642 135 135 ASN H H 8.228 0.00 1 643 135 135 ASN C C 177.132 0.03 1 644 135 135 ASN CA C 56.458 0.00 1 645 135 135 ASN CB C 38.281 0.03 1 646 135 135 ASN N N 119.313 0.01 1 647 136 136 ARG H H 7.853 0.00 1 648 136 136 ARG C C 178.846 0.03 1 649 136 136 ARG CA C 59.051 0.01 1 650 136 136 ARG CB C 29.520 0.06 1 651 136 136 ARG N N 121.139 0.01 1 652 137 137 ILE H H 8.327 0.00 1 653 137 137 ILE C C 178.724 0.02 1 654 137 137 ILE CA C 65.639 0.01 1 655 137 137 ILE CB C 37.537 0.05 1 656 137 137 ILE N N 119.617 0.01 1 657 138 138 ILE H H 8.281 0.00 1 658 138 138 ILE C C 178.056 0.03 1 659 138 138 ILE CA C 66.019 0.04 1 660 138 138 ILE CB C 36.950 0.04 1 661 138 138 ILE N N 120.007 0.01 1 662 139 139 GLU H H 8.674 0.00 1 663 139 139 GLU C C 179.543 0.02 1 664 139 139 GLU CA C 60.502 0.00 1 665 139 139 GLU CB C 28.216 0.02 1 666 139 139 GLU N N 120.140 0.01 1 667 140 140 ASN H H 7.923 0.00 1 668 140 140 ASN C C 178.428 0.02 1 669 140 140 ASN CA C 55.819 0.00 1 670 140 140 ASN CB C 37.808 0.05 1 671 140 140 ASN N N 116.577 0.01 1 672 141 141 LEU H H 8.704 0.00 1 673 141 141 LEU C C 178.751 0.02 1 674 141 141 LEU CA C 57.560 0.01 1 675 141 141 LEU CB C 42.288 0.03 1 676 141 141 LEU N N 124.715 0.01 1 677 142 142 LEU H H 8.178 0.00 1 678 142 142 LEU C C 178.066 0.03 1 679 142 142 LEU CA C 54.904 0.01 1 680 142 142 LEU CB C 41.984 0.04 1 681 142 142 LEU N N 117.368 0.01 1 682 143 143 GLY H H 7.926 0.00 1 683 143 143 GLY C C 174.750 0.03 1 684 143 143 GLY CA C 46.212 0.06 1 685 143 143 GLY N N 109.593 0.02 1 686 144 144 VAL H H 7.753 0.00 1 687 144 144 VAL C C 174.896 0.09 1 688 144 144 VAL CA C 61.014 0.00 1 689 144 144 VAL CB C 32.846 0.00 1 690 144 144 VAL N N 118.651 0.01 1 691 145 145 LYS H H 8.255 0.07 1 692 145 145 LYS C C 176.318 0.03 1 693 145 145 LYS CA C 54.733 0.00 1 694 145 145 LYS CB C 37.870 5.43 1 695 145 145 LYS N N 130.463 14.40 1 696 146 146 SER H H 8.528 0.00 1 697 146 146 SER C C 174.619 0.00 1 698 146 146 SER CA C 57.918 0.02 1 699 146 146 SER CB C 63.487 0.02 1 700 146 146 SER N N 120.708 0.02 1 701 147 147 VAL H H 8.315 0.00 1 702 147 147 VAL C C 175.024 0.03 1 703 147 147 VAL CA C 62.053 0.01 1 704 147 147 VAL CB C 32.403 0.02 1 705 147 147 VAL N N 122.598 0.05 1 706 148 148 ASN H H 8.642 0.00 1 707 148 148 ASN C C 175.734 0.02 1 708 148 148 ASN CA C 52.166 0.01 1 709 148 148 ASN CB C 40.154 0.00 1 710 148 148 ASN N N 122.698 0.01 1 711 149 149 LEU H H 8.666 0.00 1 712 149 149 LEU C C 177.831 0.02 1 713 149 149 LEU CA C 55.376 0.00 1 714 149 149 LEU CB C 40.215 0.19 1 715 149 149 LEU N N 119.665 0.02 1 716 150 150 SER H H 8.392 0.00 1 717 150 150 SER C C 175.132 0.03 1 718 150 150 SER CA C 59.868 0.00 1 719 150 150 SER CB C 63.285 0.12 1 720 150 150 SER N N 115.661 0.01 1 721 151 151 ASP H H 7.737 0.01 1 722 151 151 ASP C C 175.615 0.02 1 723 151 151 ASP CA C 53.552 0.01 1 724 151 151 ASP CB C 40.721 0.00 1 725 151 151 ASP N N 120.881 0.01 1 726 152 152 LEU H H 6.297 0.00 1 727 152 152 LEU C C 177.161 0.03 1 728 152 152 LEU CA C 55.413 0.00 1 729 152 152 LEU CB C 42.383 0.07 1 730 152 152 LEU N N 118.315 0.01 1 731 153 153 GLU H H 8.680 0.00 1 732 153 153 GLU C C 175.238 0.02 1 733 153 153 GLU CA C 55.608 0.08 1 734 153 153 GLU CB C 31.061 0.14 1 735 153 153 GLU N N 120.405 0.02 1 736 154 154 GLU H H 7.595 0.00 1 737 154 154 GLU C C 173.464 0.03 1 738 154 154 GLU CA C 53.936 0.00 1 739 154 154 GLU CB C 31.920 0.03 1 740 154 154 GLU N N 118.271 0.04 1 741 155 155 GLU H H 8.307 0.00 1 742 155 155 GLU C C 178.137 0.04 1 743 155 155 GLU CA C 56.098 0.01 1 744 155 155 GLU CB C 28.921 0.01 1 745 155 155 GLU N N 119.398 0.01 1 746 156 156 VAL H H 8.734 0.00 1 747 156 156 VAL C C 175.452 0.02 1 748 156 156 VAL CA C 58.926 0.01 1 749 156 156 VAL CB C 37.120 0.00 1 750 156 156 VAL N N 115.940 0.01 1 751 157 157 VAL H H 8.688 0.00 1 752 157 157 VAL C C 175.310 0.02 1 753 157 157 VAL CA C 61.320 0.00 1 754 157 157 VAL CB C 32.081 0.02 1 755 157 157 VAL N N 121.358 0.02 1 756 158 158 VAL H H 8.184 0.00 1 757 158 158 VAL C C 173.326 0.04 1 758 158 158 VAL CA C 63.441 0.01 1 759 158 158 VAL CB C 31.927 0.04 1 760 158 158 VAL N N 128.364 0.02 1 761 159 159 ILE H H 9.022 0.00 1 762 159 159 ILE C C 174.759 0.03 1 763 159 159 ILE CA C 57.425 0.01 1 764 159 159 ILE CB C 36.578 0.04 1 765 159 159 ILE N N 129.815 0.02 1 766 160 160 ALA H H 8.302 0.00 1 767 160 160 ALA C C 175.786 0.01 1 768 160 160 ALA CA C 49.907 0.02 1 769 160 160 ALA CB C 24.184 0.01 1 770 160 160 ALA N N 126.489 0.01 1 771 161 161 ARG H H 9.270 0.00 1 772 161 161 ARG C C 175.488 0.01 1 773 161 161 ARG CA C 59.478 0.01 1 774 161 161 ARG CB C 28.965 0.00 1 775 161 161 ARG N N 123.152 0.02 1 776 162 162 ASP H H 7.348 0.00 1 777 162 162 ASP C C 174.168 0.02 1 778 162 162 ASP CA C 52.117 0.00 1 779 162 162 ASP CB C 43.115 0.01 1 780 162 162 ASP N N 110.564 0.01 1 781 163 163 LEU H H 7.954 0.00 1 782 163 163 LEU C C 175.934 0.03 1 783 163 163 LEU CA C 53.521 0.01 1 784 163 163 LEU CB C 43.715 0.11 1 785 163 163 LEU N N 120.950 0.01 1 786 164 164 THR H H 9.384 0.00 1 787 164 164 THR C C 174.587 0.00 1 788 164 164 THR CA C 59.286 0.00 1 789 164 164 THR CB C 68.660 0.00 1 790 164 164 THR N N 116.211 0.02 1 791 166 166 SER C C 176.608 0.00 1 792 166 166 SER CA C 61.368 0.00 1 793 166 166 SER CB C 62.609 0.00 1 794 167 167 ASP H H 7.849 0.00 1 795 167 167 ASP C C 178.276 0.02 1 796 167 167 ASP CA C 57.177 0.01 1 797 167 167 ASP CB C 41.970 0.03 1 798 167 167 ASP N N 122.062 0.02 1 799 168 168 THR H H 7.760 0.00 1 800 168 168 THR C C 176.286 0.03 1 801 168 168 THR CA C 63.306 0.00 1 802 168 168 THR CB C 68.195 0.02 1 803 168 168 THR N N 108.385 0.02 1 804 169 169 ALA H H 7.709 0.00 1 805 169 169 ALA C C 178.389 0.01 1 806 169 169 ALA CA C 54.418 0.00 1 807 169 169 ALA CB C 18.707 0.05 1 808 169 169 ALA N N 123.544 0.02 1 809 170 170 THR H H 7.397 0.00 1 810 170 170 THR C C 174.725 0.01 1 811 170 170 THR CA C 60.229 0.01 1 812 170 170 THR CB C 68.987 0.05 1 813 170 170 THR N N 103.829 0.01 1 814 171 171 MET H H 7.129 0.00 1 815 171 171 MET C C 174.687 0.00 1 816 171 171 MET CA C 55.319 0.00 1 817 171 171 MET CB C 33.636 0.02 1 818 171 171 MET N N 120.565 0.01 1 819 172 172 LYS H H 7.622 0.00 1 820 172 172 LYS C C 175.951 0.01 1 821 172 172 LYS CA C 55.009 0.10 1 822 172 172 LYS CB C 29.965 0.01 1 823 172 172 LYS N N 125.409 0.01 1 824 173 173 LYS H H 8.022 0.00 1 825 173 173 LYS C C 177.353 0.02 1 826 173 173 LYS CA C 59.827 0.01 1 827 173 173 LYS CB C 31.578 0.03 1 828 173 173 LYS N N 127.855 0.02 1 829 174 174 GLU H H 9.770 0.00 1 830 174 174 GLU C C 177.048 0.01 1 831 174 174 GLU CA C 58.444 0.01 1 832 174 174 GLU CB C 27.778 0.01 1 833 174 174 GLU N N 118.569 0.00 1 834 175 175 MET H H 7.585 0.00 1 835 175 175 MET C C 174.127 0.04 1 836 175 175 MET CA C 53.364 0.00 1 837 175 175 MET CB C 32.584 0.04 1 838 175 175 MET N N 115.320 0.02 1 839 176 176 VAL H H 7.137 0.00 1 840 176 176 VAL C C 175.467 0.02 1 841 176 176 VAL CA C 62.187 0.01 1 842 176 176 VAL CB C 31.366 0.04 1 843 176 176 VAL N N 118.786 0.02 1 844 177 177 LEU H H 8.971 0.00 1 845 177 177 LEU C C 177.230 0.00 1 846 177 177 LEU CA C 54.781 0.03 1 847 177 177 LEU CB C 43.026 0.10 1 848 177 177 LEU N N 124.919 0.05 1 849 178 178 GLY H H 7.009 0.00 1 850 178 178 GLY C C 182.053 0.00 1 851 178 178 GLY CA C 44.400 0.08 1 852 178 178 GLY N N 99.909 0.02 1 853 179 179 PHE H H 8.145 0.00 1 854 179 179 PHE C C 174.048 0.03 1 855 179 179 PHE CA C 55.241 0.02 1 856 179 179 PHE CB C 43.269 0.01 1 857 179 179 PHE N N 115.519 0.02 1 858 180 180 ALA H H 8.753 0.00 1 859 180 180 ALA C C 176.352 0.02 1 860 180 180 ALA CA C 50.355 0.01 1 861 180 180 ALA CB C 20.672 0.06 1 862 180 180 ALA N N 123.084 0.01 1 863 181 181 THR H H 8.286 0.00 1 864 181 181 THR C C 175.087 0.02 1 865 181 181 THR CA C 58.014 0.00 1 866 181 181 THR CB C 71.302 0.00 1 867 181 181 THR N N 109.367 0.02 1 868 182 182 ASP H H 7.828 0.00 1 869 182 182 ASP C C 178.982 0.03 1 870 182 182 ASP CA C 56.442 0.10 1 871 182 182 ASP CB C 41.415 0.01 1 872 182 182 ASP N N 120.230 0.01 1 873 183 183 VAL H H 8.030 0.00 1 874 183 183 VAL C C 176.838 0.04 1 875 183 183 VAL CA C 59.752 0.02 1 876 183 183 VAL CB C 32.632 0.00 1 877 183 183 VAL N N 113.277 0.01 1 878 184 184 GLY H H 8.447 0.00 1 879 184 184 GLY C C 172.839 0.02 1 880 184 184 GLY CA C 44.249 0.00 1 881 184 184 GLY N N 112.079 0.02 1 882 185 185 GLY H H 7.798 0.00 1 883 185 185 GLY C C 174.734 0.00 1 884 185 185 GLY CA C 44.016 0.00 1 885 185 185 GLY N N 105.082 0.01 1 886 187 187 THR C C 173.736 0.00 1 887 187 187 THR CA C 60.074 0.00 1 888 187 187 THR CB C 67.948 0.00 1 889 188 188 SER H H 7.311 0.00 1 890 188 188 SER C C 174.358 0.00 1 891 188 188 SER CA C 57.794 0.00 1 892 188 188 SER CB C 64.251 0.00 1 893 188 188 SER N N 117.585 0.00 1 894 189 189 NEP C C 178.498 0.00 1 895 189 189 NEP CA C 60.021 0.00 1 896 189 189 NEP CB C 28.969 0.00 1 897 190 190 THR H H 8.475 0.00 1 898 190 190 THR C C 174.895 0.08 1 899 190 190 THR CA C 66.720 0.00 1 900 190 190 THR CB C 68.221 0.09 1 901 190 190 THR N N 116.427 0.01 1 902 191 191 ALA H H 7.505 0.00 1 903 191 191 ALA C C 178.594 0.02 1 904 191 191 ALA CA C 55.174 0.00 1 905 191 191 ALA CB C 18.871 0.04 1 906 191 191 ALA N N 124.205 0.01 1 907 192 192 ILE H H 8.068 0.00 1 908 192 192 ILE C C 179.773 0.03 1 909 192 192 ILE CA C 64.606 0.01 1 910 192 192 ILE CB C 37.557 0.03 1 911 192 192 ILE N N 117.941 0.01 1 912 193 193 MET H H 8.235 0.00 1 913 193 193 MET C C 178.532 0.02 1 914 193 193 MET CA C 58.009 0.01 1 915 193 193 MET CB C 31.037 0.06 1 916 193 193 MET N N 120.807 0.01 1 917 194 194 ALA H H 8.540 0.00 1 918 194 194 ALA C C 179.557 0.02 1 919 194 194 ALA CA C 55.645 0.00 1 920 194 194 ALA CB C 17.497 0.02 1 921 194 194 ALA N N 122.783 0.01 1 922 195 195 ARG H H 8.272 0.00 1 923 195 195 ARG C C 180.954 0.00 1 924 195 195 ARG CA C 59.665 0.00 1 925 195 195 ARG CB C 29.809 0.04 1 926 195 195 ARG N N 117.082 0.02 1 927 196 196 SER H H 7.960 0.00 1 928 196 196 SER C C 175.772 0.01 1 929 196 196 SER CA C 61.252 0.01 1 930 196 196 SER CB C 62.727 0.07 1 931 196 196 SER N N 116.845 0.04 1 932 197 197 LEU H H 7.762 0.00 1 933 197 197 LEU C C 175.536 0.00 1 934 197 197 LEU CA C 54.701 0.00 1 935 197 197 LEU CB C 42.281 0.04 1 936 197 197 LEU N N 120.870 0.01 1 937 198 198 GLU H H 7.823 0.00 1 938 198 198 GLU C C 175.786 0.03 1 939 198 198 GLU CA C 57.002 0.00 1 940 198 198 GLU CB C 26.059 0.01 1 941 198 198 GLU N N 116.618 0.03 1 942 199 199 ILE H H 7.941 0.00 1 943 199 199 ILE C C 173.822 0.00 1 944 199 199 ILE CA C 57.655 0.00 1 945 199 199 ILE CB C 39.324 0.00 1 946 199 199 ILE N N 116.974 0.01 1 947 200 200 PRO C C 175.987 0.00 1 948 200 200 PRO CA C 61.813 0.00 1 949 200 200 PRO CB C 32.254 0.00 1 950 201 201 ALA H H 8.253 0.00 1 951 201 201 ALA C C 175.849 0.00 1 952 201 201 ALA CA C 50.757 0.01 1 953 201 201 ALA CB C 21.239 0.01 1 954 201 201 ALA N N 118.695 0.02 1 955 202 202 VAL H H 7.956 0.00 1 956 202 202 VAL C C 173.829 0.04 1 957 202 202 VAL CA C 61.120 0.00 1 958 202 202 VAL CB C 33.598 0.01 1 959 202 202 VAL N N 123.679 0.01 1 960 203 203 VAL H H 8.307 0.00 1 961 203 203 VAL C C 176.409 0.03 1 962 203 203 VAL CA C 57.356 0.03 1 963 203 203 VAL CB C 33.421 0.00 1 964 203 203 VAL N N 116.587 0.02 1 965 204 204 GLY H H 6.863 0.00 1 966 204 204 GLY C C 176.214 0.01 1 967 204 204 GLY CA C 47.778 0.02 1 968 204 204 GLY N N 106.149 0.01 1 969 205 205 LEU H H 8.141 0.00 1 970 205 205 LEU C C 178.296 0.03 1 971 205 205 LEU CA C 56.645 0.01 1 972 205 205 LEU CB C 42.306 0.05 1 973 205 205 LEU N N 117.862 0.01 1 974 206 206 GLY H H 10.189 0.00 1 975 206 206 GLY C C 175.702 0.03 1 976 206 206 GLY CA C 46.946 0.03 1 977 206 206 GLY N N 113.499 0.02 1 978 207 207 ASN H H 8.085 0.00 1 979 207 207 ASN C C 178.209 0.02 1 980 207 207 ASN CA C 52.158 0.00 1 981 207 207 ASN CB C 37.451 0.00 1 982 207 207 ASN N N 121.168 0.01 1 983 208 208 VAL H H 7.739 0.00 1 984 208 208 VAL C C 176.904 0.02 1 985 208 208 VAL CA C 65.195 0.00 1 986 208 208 VAL CB C 31.050 0.03 1 987 208 208 VAL N N 124.158 0.00 1 988 209 209 THR H H 9.268 0.00 1 989 209 209 THR C C 175.844 0.03 1 990 209 209 THR CA C 64.197 0.01 1 991 209 209 THR CB C 68.903 0.03 1 992 209 209 THR N N 112.906 0.02 1 993 210 210 SER H H 7.253 0.00 1 994 210 210 SER C C 174.788 0.03 1 995 210 210 SER CA C 58.745 0.00 1 996 210 210 SER CB C 63.513 0.01 1 997 210 210 SER N N 113.707 0.01 1 998 211 211 GLN H H 7.491 0.00 1 999 211 211 GLN C C 174.257 0.02 1 1000 211 211 GLN CA C 55.906 0.00 1 1001 211 211 GLN CB C 29.973 0.03 1 1002 211 211 GLN N N 119.149 0.01 1 1003 212 212 VAL H H 7.110 0.00 1 1004 212 212 VAL C C 173.006 0.03 1 1005 212 212 VAL CA C 60.596 0.00 1 1006 212 212 VAL CB C 33.620 0.00 1 1007 212 212 VAL N N 118.529 0.02 1 1008 213 213 LYS H H 8.750 0.00 1 1009 213 213 LYS C C 175.906 0.03 1 1010 213 213 LYS CA C 53.262 0.00 1 1011 213 213 LYS CB C 33.566 0.00 1 1012 213 213 LYS N N 125.603 0.02 1 1013 214 214 ALA H H 8.445 0.00 1 1014 214 214 ALA C C 179.135 0.02 1 1015 214 214 ALA CA C 53.318 0.01 1 1016 214 214 ALA CB C 17.287 0.02 1 1017 214 214 ALA N N 123.212 0.01 1 1018 215 215 GLY H H 8.850 0.00 1 1019 215 215 GLY C C 174.353 0.02 1 1020 215 215 GLY CA C 45.014 0.03 1 1021 215 215 GLY N N 111.791 0.01 1 1022 216 216 ASP H H 8.043 0.00 1 1023 216 216 ASP C C 175.204 0.03 1 1024 216 216 ASP CA C 55.127 0.00 1 1025 216 216 ASP CB C 40.721 0.01 1 1026 216 216 ASP N N 122.484 0.01 1 1027 217 217 LEU H H 8.070 0.00 1 1028 217 217 LEU C C 175.415 0.10 1 1029 217 217 LEU CA C 54.500 0.03 1 1030 217 217 LEU CB C 42.111 0.07 1 1031 217 217 LEU N N 123.457 0.02 1 1032 218 218 VAL H H 9.064 0.00 1 1033 218 218 VAL C C 173.904 0.04 1 1034 218 218 VAL CA C 58.861 0.09 1 1035 218 218 VAL CB C 35.266 0.00 1 1036 218 218 VAL N N 122.850 0.01 1 1037 219 219 ILE H H 8.470 0.00 1 1038 219 219 ILE C C 175.498 0.00 1 1039 219 219 ILE CA C 59.281 0.08 1 1040 219 219 ILE CB C 40.036 0.11 1 1041 219 219 ILE N N 121.248 0.02 1 1042 220 220 VAL H H 9.191 0.00 1 1043 220 220 VAL C C 173.486 0.04 1 1044 220 220 VAL CA C 61.078 0.00 1 1045 220 220 VAL CB C 33.045 0.03 1 1046 220 220 VAL N N 126.467 0.02 1 1047 221 221 ASP H H 8.913 0.00 1 1048 221 221 ASP C C 177.065 0.00 1 1049 221 221 ASP CA C 51.935 0.00 1 1050 221 221 ASP CB C 40.398 0.02 1 1051 221 221 ASP N N 126.208 0.01 1 1052 222 222 GLY H H 9.091 0.00 1 1053 222 222 GLY C C 173.464 0.03 1 1054 222 222 GLY CA C 45.261 0.03 1 1055 222 222 GLY N N 112.626 0.01 1 1056 223 223 LEU H H 8.837 0.00 1 1057 223 223 LEU C C 178.774 0.01 1 1058 223 223 LEU CA C 56.448 0.01 1 1059 223 223 LEU CB C 40.005 0.01 1 1060 223 223 LEU N N 120.974 0.02 1 1061 224 224 GLU H H 8.134 0.00 1 1062 224 224 GLU C C 177.641 0.02 1 1063 224 224 GLU CA C 55.431 0.01 1 1064 224 224 GLU CB C 30.601 0.02 1 1065 224 224 GLU N N 117.279 0.01 1 1066 225 225 GLY H H 8.171 0.00 1 1067 225 225 GLY C C 172.342 0.04 1 1068 225 225 GLY CA C 46.751 0.04 1 1069 225 225 GLY N N 109.209 0.01 1 1070 226 226 ILE H H 7.849 0.00 1 1071 226 226 ILE C C 174.168 0.07 1 1072 226 226 ILE CA C 58.052 0.02 1 1073 226 226 ILE CB C 42.508 0.13 1 1074 226 226 ILE N N 116.077 0.02 1 1075 227 227 VAL H H 8.680 0.00 1 1076 227 227 VAL C C 174.348 0.08 1 1077 227 227 VAL CA C 59.831 0.01 1 1078 227 227 VAL CB C 35.001 0.01 1 1079 227 227 VAL N N 123.016 0.01 1 1080 228 228 ILE H H 8.741 0.00 1 1081 228 228 ILE C C 174.263 0.01 1 1082 228 228 ILE CA C 60.071 0.02 1 1083 228 228 ILE CB C 40.168 0.01 1 1084 228 228 ILE N N 126.400 0.01 1 1085 229 229 VAL H H 8.675 0.01 1 1086 229 229 VAL C C 175.070 0.02 1 1087 229 229 VAL CA C 61.333 0.00 1 1088 229 229 VAL CB C 32.137 0.00 1 1089 229 229 VAL N N 128.313 0.02 1 1090 230 230 ASN H H 9.692 0.00 1 1091 230 230 ASN C C 175.057 0.00 1 1092 230 230 ASN CA C 54.222 0.00 1 1093 230 230 ASN CB C 36.939 0.00 1 1094 230 230 ASN N N 123.620 0.01 1 1095 231 231 PRO C C 176.168 0.00 1 1096 231 231 PRO CA C 61.333 0.00 1 1097 231 231 PRO CB C 31.720 0.00 1 1098 232 232 ASP H H 8.077 0.00 1 1099 232 232 ASP C C 175.872 0.00 1 1100 232 232 ASP CA C 52.388 0.00 1 1101 232 232 ASP CB C 40.772 0.02 1 1102 232 232 ASP N N 118.786 0.03 1 1103 233 233 GLU H H 8.587 0.00 1 1104 233 233 GLU C C 179.011 0.01 1 1105 233 233 GLU CA C 59.961 0.01 1 1106 233 233 GLU CB C 28.930 0.00 1 1107 233 233 GLU N N 119.322 0.01 1 1108 234 234 LYS H H 8.122 0.00 1 1109 234 234 LYS C C 178.666 0.03 1 1110 234 234 LYS CA C 58.627 0.00 1 1111 234 234 LYS CB C 30.800 0.01 1 1112 234 234 LYS N N 120.577 0.01 1 1113 235 235 THR H H 8.060 0.00 1 1114 235 235 THR C C 177.814 0.85 1 1115 235 235 THR CA C 66.857 0.01 1 1116 235 235 THR CB C 67.361 0.02 1 1117 235 235 THR N N 119.222 0.03 1 1118 236 236 VAL H H 8.190 0.00 1 1119 236 236 VAL C C 177.449 0.01 1 1120 236 236 VAL CA C 67.903 0.01 1 1121 236 236 VAL CB C 30.550 0.08 1 1122 236 236 VAL N N 121.888 0.01 1 1123 237 237 GLU H H 8.055 0.00 1 1124 237 237 GLU C C 179.754 0.02 1 1125 237 237 GLU CA C 59.432 0.02 1 1126 237 237 GLU CB C 28.384 0.02 1 1127 237 237 GLU N N 119.688 0.01 1 1128 238 238 ASP H H 8.402 0.00 1 1129 238 238 ASP C C 179.755 0.03 1 1130 238 238 ASP CA C 57.150 0.01 1 1131 238 238 ASP CB C 40.040 0.01 1 1132 238 238 ASP N N 121.271 0.02 1 1133 239 239 TYR H H 8.473 0.00 1 1134 239 239 TYR C C 178.613 0.02 1 1135 239 239 TYR CA C 63.648 0.00 1 1136 239 239 TYR CB C 37.354 0.01 1 1137 239 239 TYR N N 119.809 0.01 1 1138 240 240 LYS H H 9.092 0.00 1 1139 240 240 LYS C C 179.652 0.02 1 1140 240 240 LYS CA C 60.252 0.00 1 1141 240 240 LYS CB C 31.300 0.01 1 1142 240 240 LYS N N 123.444 0.02 1 1143 241 241 SER H H 7.797 0.00 1 1144 241 241 SER C C 177.386 0.00 1 1145 241 241 SER CA C 61.075 0.03 1 1146 241 241 SER CB C 62.008 0.01 1 1147 241 241 SER N N 115.517 0.01 1 1148 242 242 LYS H H 7.873 0.01 1 1149 242 242 LYS C C 178.868 0.03 1 1150 242 242 LYS CA C 59.428 0.14 1 1151 242 242 LYS CB C 32.091 0.03 1 1152 242 242 LYS N N 123.648 0.02 1 1153 243 243 LYS H H 8.527 0.01 1 1154 243 243 LYS C C 177.773 0.04 1 1155 243 243 LYS CA C 59.681 0.08 1 1156 243 243 LYS CB C 32.490 0.11 1 1157 243 243 LYS N N 121.663 0.03 1 1158 244 244 GLU H H 7.992 0.00 1 1159 244 244 GLU C C 178.731 0.00 1 1160 244 244 GLU CA C 58.465 0.00 1 1161 244 244 GLU CB C 28.917 0.01 1 1162 244 244 GLU N N 118.307 0.03 1 1163 245 245 SER H H 7.861 0.00 1 1164 245 245 SER C C 175.298 0.01 1 1165 245 245 SER CA C 60.188 0.01 1 1166 245 245 SER CB C 62.786 0.00 1 1167 245 245 SER N N 113.524 0.01 1 1168 246 246 TYR H H 7.843 0.01 1 1169 246 246 TYR C C 176.334 0.00 1 1170 246 246 TYR CA C 59.359 0.01 1 1171 246 246 TYR CB C 38.159 0.02 1 1172 246 246 TYR N N 122.063 0.02 1 1173 247 247 GLU H H 7.823 0.00 1 1174 247 247 GLU C C 175.596 0.01 1 1175 247 247 GLU CA C 56.444 0.11 1 1176 247 247 GLU CB C 29.557 0.03 1 1177 247 247 GLU N N 120.221 0.05 1 1178 248 248 LYS H H 7.471 0.00 1 1179 248 248 LYS C C 181.451 0.00 1 1180 248 248 LYS CA C 57.811 0.00 1 1181 248 248 LYS CB C 32.518 0.00 1 1182 248 248 LYS N N 126.671 0.01 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'Phosphorylated tEIN' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 LEU H H 8.976 0.00 1 2 2 2 LEU HD1 H 0.668 0.00 1 3 2 2 LEU HD2 H 0.759 0.00 1 4 2 2 LEU CD1 C 25.284 0.00 1 5 2 2 LEU CD2 C 24.010 0.00 1 6 2 2 LEU N N 124.980 0.00 1 7 3 3 LYS H H 8.346 0.00 1 8 3 3 LYS N N 122.897 0.00 1 9 4 4 GLY H H 8.526 0.00 1 10 4 4 GLY N N 114.756 0.00 1 11 5 5 VAL H H 8.900 0.00 1 12 5 5 VAL HG1 H 0.927 0.00 1 13 5 5 VAL HG2 H 0.692 0.00 1 14 5 5 VAL CG1 C 20.613 0.00 1 15 5 5 VAL CG2 C 20.073 0.00 1 16 5 5 VAL N N 125.548 0.00 1 17 6 6 ALA H H 8.901 0.00 1 18 6 6 ALA N N 131.794 0.00 1 19 7 7 ALA H H 8.124 0.00 1 20 7 7 ALA N N 128.638 0.00 1 21 8 8 SER H H 7.647 0.00 1 22 8 8 SER N N 112.608 0.00 1 23 10 10 GLY N N 102.857 0.00 1 24 11 11 ILE H H 8.630 0.00 1 25 11 11 ILE HD1 H 0.876 0.00 1 26 11 11 ILE CD1 C 13.091 0.00 1 27 11 11 ILE N N 119.396 0.00 1 28 12 12 ALA H H 8.970 0.00 1 29 12 12 ALA N N 129.053 0.00 1 30 13 13 ILE H H 8.475 0.00 1 31 13 13 ILE HD1 H 0.761 0.00 1 32 13 13 ILE CD1 C 14.065 0.00 1 33 13 13 ILE N N 121.351 0.00 1 34 14 14 GLY H H 8.623 0.00 1 35 14 14 GLY N N 112.105 0.00 1 36 15 15 LYS H H 8.776 0.00 1 37 15 15 LYS N N 120.753 0.00 1 38 16 16 ALA H H 9.131 0.00 1 39 16 16 ALA N N 124.224 0.00 1 40 17 17 PHE H H 9.242 0.00 1 41 17 17 PHE N N 126.965 0.00 1 42 18 18 LEU H H 7.753 0.00 1 43 18 18 LEU HD1 H 0.627 0.00 1 44 18 18 LEU HD2 H 0.682 0.00 1 45 18 18 LEU CD1 C 23.503 0.00 1 46 18 18 LEU CD2 C 23.248 0.00 1 47 18 18 LEU N N 130.888 0.00 1 48 19 19 TYR H H 9.095 0.00 1 49 19 19 TYR N N 129.166 0.00 1 50 20 20 THR H H 7.610 0.00 1 51 20 20 THR N N 118.922 0.00 1 52 21 21 LYS H H 8.047 0.00 1 53 21 21 LYS N N 123.087 0.00 1 54 22 22 GLU H H 8.378 0.00 1 55 22 22 GLU N N 123.954 0.00 1 56 23 23 LYS H H 8.349 0.00 1 57 23 23 LYS N N 123.931 0.00 1 58 24 24 VAL H H 8.162 0.00 1 59 24 24 VAL HG1 H 0.833 0.00 1 60 24 24 VAL HG2 H 0.867 0.00 1 61 24 24 VAL CG1 C 21.550 0.00 1 62 24 24 VAL CG2 C 20.172 0.00 1 63 24 24 VAL N N 122.785 0.00 1 64 25 25 THR H H 8.129 0.00 1 65 25 25 THR N N 121.742 0.00 1 66 26 26 ILE H H 7.955 0.00 1 67 26 26 ILE HD1 H 0.663 0.00 1 68 26 26 ILE CD1 C 10.856 0.00 1 69 26 26 ILE N N 126.161 0.00 1 70 27 27 ASN H H 9.320 0.00 1 71 27 27 ASN N N 127.559 0.00 1 72 28 28 VAL H H 7.987 0.00 1 73 28 28 VAL HG1 H 0.735 0.00 1 74 28 28 VAL HG2 H 0.784 0.00 1 75 28 28 VAL CG1 C 21.083 0.00 1 76 28 28 VAL CG2 C 17.799 0.00 1 77 28 28 VAL N N 117.518 0.00 1 78 29 29 GLU H H 7.899 0.00 1 79 29 29 GLU N N 123.605 0.00 1 80 30 30 LYS H H 8.289 0.00 1 81 30 30 LYS N N 122.237 0.00 1 82 31 31 ILE H H 8.087 0.00 1 83 31 31 ILE HD1 H 0.511 0.00 1 84 31 31 ILE CD1 C 14.342 0.00 1 85 31 31 ILE N N 116.439 0.00 1 86 32 32 GLU H H 7.861 0.00 1 87 32 32 GLU N N 118.533 0.00 1 88 33 33 GLU H H 9.040 0.00 1 89 33 33 GLU N N 122.843 0.00 1 90 34 34 SER H H 8.126 0.00 1 91 34 34 SER N N 112.049 0.00 1 92 35 35 LYS H H 7.997 0.00 1 93 35 35 LYS N N 121.772 0.00 1 94 36 36 VAL H H 7.366 0.00 1 95 36 36 VAL HG1 H 1.141 0.00 1 96 36 36 VAL HG2 H 0.920 0.00 1 97 36 36 VAL CG1 C 24.789 0.00 1 98 36 36 VAL CG2 C 21.785 0.00 1 99 36 36 VAL N N 122.450 0.00 1 100 37 37 GLU H H 8.540 0.00 1 101 37 37 GLU N N 117.820 0.00 1 102 38 38 GLU H H 7.993 0.00 1 103 38 38 GLU N N 121.406 0.00 1 104 39 39 GLU H H 8.190 0.00 1 105 39 39 GLU N N 122.254 0.00 1 106 40 40 ILE H H 8.570 0.00 1 107 40 40 ILE HD1 H 0.867 0.00 1 108 40 40 ILE CD1 C 13.782 0.00 1 109 40 40 ILE N N 120.722 0.00 1 110 41 41 ALA H H 8.187 0.00 1 111 41 41 ALA N N 122.645 0.00 1 112 42 42 LYS H H 8.224 0.00 1 113 42 42 LYS N N 120.223 0.00 1 114 43 43 PHE H H 8.204 0.00 1 115 43 43 PHE N N 120.992 0.00 1 116 44 44 ARG H H 8.750 0.00 1 117 44 44 ARG N N 119.093 0.00 1 118 45 45 LYS H H 8.001 0.00 1 119 45 45 LYS N N 120.329 0.00 1 120 46 46 ALA H H 8.061 0.00 1 121 46 46 ALA N N 121.593 0.00 1 122 47 47 LEU H H 8.803 0.00 1 123 47 47 LEU HD1 H 0.736 0.00 1 124 47 47 LEU HD2 H 0.860 0.00 1 125 47 47 LEU CD1 C 24.646 0.00 1 126 47 47 LEU CD2 C 22.809 0.00 1 127 47 47 LEU N N 123.705 0.00 1 128 48 48 GLU H H 7.681 0.00 1 129 48 48 GLU N N 121.117 0.00 1 130 49 49 VAL H H 8.170 0.00 1 131 49 49 VAL HG1 H 1.071 0.00 1 132 49 49 VAL HG2 H 0.910 0.00 1 133 49 49 VAL CG1 C 22.092 0.00 1 134 49 49 VAL CG2 C 20.602 0.00 1 135 49 49 VAL N N 119.404 0.00 1 136 50 50 THR H H 8.044 0.00 1 137 50 50 THR N N 118.745 0.00 1 138 51 51 GLN H H 8.514 0.00 1 139 51 51 GLN N N 120.831 0.00 1 140 52 52 GLU H H 7.898 0.00 1 141 52 52 GLU N N 119.311 0.00 1 142 53 53 GLU H H 8.364 0.00 1 143 53 53 GLU N N 120.257 0.00 1 144 54 54 ILE HD1 H 0.798 0.00 1 145 54 54 ILE CD1 C 14.512 0.00 1 146 55 55 GLU H H 8.393 0.00 1 147 55 55 GLU N N 121.242 0.00 1 148 56 56 LYS H H 7.881 0.00 1 149 56 56 LYS N N 119.261 0.00 1 150 57 57 ILE H H 7.926 0.00 1 151 57 57 ILE HD1 H 0.594 0.00 1 152 57 57 ILE CD1 C 13.093 0.00 1 153 57 57 ILE N N 122.745 0.00 1 154 58 58 LYS H H 8.535 0.00 1 155 58 58 LYS N N 122.468 0.00 1 156 59 59 GLU H H 8.007 0.00 1 157 59 59 GLU N N 118.660 0.00 1 158 60 60 LYS H H 7.710 0.00 1 159 60 60 LYS N N 121.109 0.00 1 160 61 61 ALA H H 8.580 0.00 1 161 61 61 ALA N N 122.012 0.00 1 162 62 62 LEU H H 8.475 0.00 1 163 62 62 LEU HD1 H 0.871 0.00 1 164 62 62 LEU HD2 H 0.802 0.00 1 165 62 62 LEU CD1 C 24.987 0.00 1 166 62 62 LEU CD2 C 23.425 0.00 1 167 62 62 LEU N N 120.093 0.00 1 168 63 63 LYS H H 7.563 0.00 1 169 63 63 LYS N N 117.893 0.00 1 170 64 64 GLU H H 8.175 0.00 1 171 64 64 GLU N N 116.751 0.00 1 172 65 65 PHE H H 8.528 0.00 1 173 65 65 PHE N N 115.378 0.00 1 174 66 66 GLY H H 8.100 0.00 1 175 66 66 GLY N N 110.064 0.00 1 176 67 67 LYS H H 8.474 0.00 1 177 67 67 LYS N N 119.656 0.00 1 178 68 68 GLU H H 8.877 0.00 1 179 68 68 GLU N N 118.631 0.00 1 180 69 69 LYS H H 7.602 0.00 1 181 69 69 LYS N N 117.890 0.00 1 182 70 70 ALA H H 7.697 0.00 1 183 70 70 ALA N N 119.958 0.00 1 184 71 71 GLU H H 7.877 0.00 1 185 71 71 GLU N N 116.923 0.00 1 186 72 72 ILE H H 7.284 0.00 1 187 72 72 ILE HD1 H 0.631 0.00 1 188 72 72 ILE CD1 C 13.250 0.00 1 189 72 72 ILE N N 119.930 0.00 1 190 73 73 PHE H H 6.794 0.00 1 191 73 73 PHE N N 116.770 0.00 1 192 75 75 ALA H H 7.600 0.00 1 193 75 75 ALA N N 121.840 0.00 1 194 76 76 HIS H H 7.942 0.00 1 195 76 76 HIS N N 118.259 0.00 1 196 77 77 LEU H H 8.121 0.00 1 197 77 77 LEU N N 119.685 0.00 1 198 78 78 MET H H 8.010 0.00 1 199 78 78 MET N N 120.104 0.00 1 200 79 79 LEU H H 7.994 0.00 1 201 79 79 LEU HD1 H 0.750 0.00 1 202 79 79 LEU HD2 H 0.912 0.00 1 203 79 79 LEU CD1 C 26.332 0.00 1 204 79 79 LEU CD2 C 22.474 0.00 1 205 79 79 LEU N N 121.170 0.00 1 206 80 80 ALA H H 7.972 0.00 1 207 80 80 ALA N N 116.370 0.00 1 208 81 81 SER H H 7.238 0.00 1 209 81 81 SER N N 108.033 0.00 1 210 82 82 ASP H H 7.089 0.00 1 211 82 82 ASP N N 125.557 0.00 1 212 84 84 GLU H H 8.457 0.00 1 213 84 84 GLU N N 117.611 0.00 1 214 85 85 LEU H H 7.606 0.00 1 215 85 85 LEU HD1 H 0.923 0.00 1 216 85 85 LEU HD2 H 0.859 0.00 1 217 85 85 LEU CD1 C 24.966 0.00 1 218 85 85 LEU CD2 C 23.963 0.00 1 219 85 85 LEU N N 124.295 0.00 1 220 86 86 ILE H H 7.526 0.00 1 221 86 86 ILE HD1 H 0.749 0.00 1 222 86 86 ILE CD1 C 13.755 0.00 1 223 86 86 ILE N N 118.624 0.00 1 224 87 87 GLU H H 8.313 0.00 1 225 87 87 GLU N N 117.755 0.00 1 226 88 88 GLY H H 7.802 0.00 1 227 88 88 GLY N N 106.768 0.00 1 228 89 89 VAL H H 8.167 0.00 1 229 89 89 VAL HG1 H 0.707 0.00 1 230 89 89 VAL HG2 H -0.340 0.00 1 231 89 89 VAL CG1 C 22.442 0.00 1 232 89 89 VAL CG2 C 19.072 0.00 1 233 89 89 VAL N N 123.438 0.00 1 234 90 90 GLU H H 8.191 0.00 1 235 90 90 GLU N N 118.295 0.00 1 236 91 91 ASN H H 8.674 0.00 1 237 91 91 ASN N N 115.223 0.00 1 238 92 92 MET H H 7.802 0.00 1 239 92 92 MET N N 123.077 0.00 1 240 93 93 ILE H H 7.987 0.00 1 241 93 93 ILE HD1 H 0.569 0.00 1 242 93 93 ILE CD1 C 14.385 0.00 1 243 93 93 ILE N N 120.338 0.00 1 244 94 94 LYS H H 7.540 0.00 1 245 94 94 LYS N N 113.315 0.00 1 246 95 95 THR H H 8.229 0.00 1 247 95 95 THR N N 109.481 0.00 1 248 96 96 GLU H H 8.319 0.00 1 249 96 96 GLU N N 120.058 0.00 1 250 97 97 LEU H H 7.609 0.00 1 251 97 97 LEU HD1 H 0.881 0.00 1 252 97 97 LEU HD2 H 0.682 0.00 1 253 97 97 LEU CD1 C 25.899 0.00 1 254 97 97 LEU CD2 C 23.248 0.00 1 255 97 97 LEU N N 117.873 0.00 1 256 98 98 VAL H H 6.411 0.00 1 257 98 98 VAL HG1 H 0.707 0.00 1 258 98 98 VAL HG2 H 0.543 0.00 1 259 98 98 VAL CG1 C 21.987 0.00 1 260 98 98 VAL CG2 C 17.990 0.00 1 261 98 98 VAL N N 107.825 0.00 1 262 99 99 THR H H 8.712 0.00 1 263 99 99 THR N N 106.900 0.00 1 264 100 100 ALA H H 10.576 0.00 1 265 100 100 ALA N N 122.193 0.00 1 266 101 101 ASP H H 9.192 0.00 1 267 101 101 ASP N N 112.008 0.00 1 268 102 102 ASN H H 7.084 0.00 1 269 102 102 ASN N N 119.739 0.00 1 270 103 103 ALA H H 8.557 0.00 1 271 103 103 ALA N N 120.017 0.00 1 272 104 104 VAL H H 8.539 0.00 1 273 104 104 VAL HG1 H 1.061 0.00 1 274 104 104 VAL HG2 H 0.898 0.00 1 275 104 104 VAL CG1 C 25.270 0.00 1 276 104 104 VAL CG2 C 22.357 0.00 1 277 104 104 VAL N N 115.930 0.00 1 278 105 105 ASN H H 7.609 0.00 1 279 105 105 ASN N N 116.563 0.00 1 280 106 106 LYS H H 8.605 0.00 1 281 106 106 LYS N N 117.525 0.00 1 282 107 107 VAL H H 8.530 0.00 1 283 107 107 VAL HG1 H 0.848 0.00 1 284 107 107 VAL HG2 H 0.867 0.00 1 285 107 107 VAL CG1 C 22.804 0.00 1 286 107 107 VAL CG2 C 21.454 0.00 1 287 107 107 VAL N N 121.470 0.00 1 288 108 108 ILE H H 8.596 0.00 1 289 108 108 ILE HD1 H 0.690 0.00 1 290 108 108 ILE CD1 C 10.307 0.00 1 291 108 108 ILE N N 120.717 0.00 1 292 109 109 GLU H H 8.109 0.00 1 293 109 109 GLU N N 118.822 0.00 1 294 110 110 GLN H H 8.236 0.00 1 295 110 110 GLN N N 119.878 0.00 1 296 111 111 ASN H H 8.263 0.00 1 297 111 111 ASN N N 118.842 0.00 1 298 112 112 ALA H H 9.263 0.00 1 299 112 112 ALA N N 123.798 0.00 1 300 113 113 SER H H 8.037 0.00 1 301 113 113 SER N N 113.001 0.00 1 302 114 114 VAL H H 7.484 0.00 1 303 114 114 VAL HG1 H 1.060 0.00 1 304 114 114 VAL HG2 H 0.874 0.00 1 305 114 114 VAL CG1 C 22.387 0.00 1 306 114 114 VAL CG2 C 20.687 0.00 1 307 114 114 VAL N N 122.873 0.00 1 308 115 115 MET H H 7.685 0.00 1 309 115 115 MET N N 120.056 0.00 1 310 116 116 GLU H H 8.121 0.00 1 311 116 116 GLU N N 115.531 0.00 1 312 117 117 SER H H 7.739 0.00 1 313 117 117 SER N N 115.060 0.00 1 314 118 118 LEU H H 7.043 0.00 1 315 118 118 LEU HD1 H 0.885 0.00 1 316 118 118 LEU HD2 H 0.790 0.00 1 317 118 118 LEU CD1 C 25.792 0.00 1 318 118 118 LEU CD2 C 22.126 0.00 1 319 118 118 LEU N N 122.104 0.00 1 320 122 122 TYR H H 8.188 0.00 1 321 122 122 TYR N N 120.213 0.00 1 322 123 123 LEU H H 8.021 0.00 1 323 123 123 LEU HD1 H 0.973 0.00 1 324 123 123 LEU HD2 H 0.863 0.00 1 325 123 123 LEU CD1 C 26.271 0.00 1 326 123 123 LEU CD2 C 22.504 0.00 1 327 123 123 LEU N N 120.755 0.00 1 328 124 124 LYS H H 7.975 0.00 1 329 124 124 LYS N N 119.644 0.00 1 330 125 125 GLU H H 7.525 0.00 1 331 125 125 GLU N N 118.893 0.00 1 332 126 126 ARG H H 7.832 0.00 1 333 126 126 ARG N N 119.876 0.00 1 334 127 127 ALA H H 7.944 0.00 1 335 127 127 ALA N N 122.741 0.00 1 336 128 128 VAL H H 7.272 0.00 1 337 128 128 VAL HG1 H 1.053 0.00 1 338 128 128 VAL HG2 H 0.988 0.00 1 339 128 128 VAL CG1 C 22.187 0.00 1 340 128 128 VAL CG2 C 21.373 0.00 1 341 128 128 VAL N N 118.276 0.00 1 342 129 129 ASP H H 7.445 0.00 1 343 129 129 ASP N N 121.311 0.00 1 344 130 130 LEU H H 8.498 0.00 1 345 130 130 LEU N N 120.717 0.00 1 346 131 131 ARG H H 7.920 0.00 1 347 131 131 ARG N N 118.032 0.00 1 348 132 132 ASP H H 7.943 0.00 1 349 132 132 ASP N N 122.053 0.00 1 350 133 133 VAL H H 8.385 0.00 1 351 133 133 VAL HG1 H 1.024 0.00 1 352 133 133 VAL HG2 H 0.821 0.00 1 353 133 133 VAL CG1 C 23.436 0.00 1 354 133 133 VAL CG2 C 20.563 0.00 1 355 133 133 VAL N N 121.710 0.00 1 356 134 134 GLY H H 8.973 0.00 1 357 134 134 GLY N N 107.195 0.00 1 358 135 135 ASN H H 8.230 0.00 1 359 135 135 ASN N N 119.324 0.00 1 360 136 136 ARG H H 7.855 0.00 1 361 136 136 ARG N N 121.124 0.00 1 362 137 137 ILE H H 8.327 0.00 1 363 137 137 ILE HD1 H 0.888 0.00 1 364 137 137 ILE CD1 C 14.332 0.00 1 365 137 137 ILE N N 119.611 0.00 1 366 138 138 ILE H H 8.282 0.00 1 367 138 138 ILE HD1 H 0.826 0.00 1 368 138 138 ILE CD1 C 13.547 0.00 1 369 138 138 ILE N N 120.000 0.00 1 370 139 139 GLU H H 8.677 0.00 1 371 139 139 GLU N N 120.145 0.00 1 372 140 140 ASN H H 7.926 0.00 1 373 140 140 ASN N N 116.579 0.00 1 374 141 141 LEU H H 8.705 0.00 1 375 141 141 LEU HD1 H 0.842 0.00 1 376 141 141 LEU HD2 H 0.937 0.00 1 377 141 141 LEU CD1 C 25.861 0.00 1 378 141 141 LEU CD2 C 25.104 0.00 1 379 141 141 LEU N N 124.705 0.00 1 380 142 142 LEU H H 8.180 0.00 1 381 142 142 LEU N N 117.370 0.00 1 382 143 143 GLY H H 7.929 0.00 1 383 143 143 GLY N N 109.574 0.00 1 384 144 144 VAL H H 7.755 0.00 1 385 144 144 VAL HG1 H 0.793 0.00 1 386 144 144 VAL HG2 H 0.826 0.00 1 387 144 144 VAL CG1 C 20.856 0.00 1 388 144 144 VAL CG2 C 20.324 0.00 1 389 144 144 VAL N N 118.641 0.00 1 390 145 145 LYS H H 8.227 0.00 1 391 145 145 LYS N N 125.015 0.00 1 392 146 146 SER H H 8.532 0.00 1 393 146 146 SER N N 120.733 0.00 1 394 147 147 VAL H H 8.317 0.00 1 395 147 147 VAL HG1 H 1.080 0.00 1 396 147 147 VAL HG2 H 1.062 0.00 1 397 147 147 VAL CG1 C 21.281 0.00 1 398 147 147 VAL CG2 C 20.494 0.00 1 399 147 147 VAL N N 122.611 0.00 1 400 148 148 ASN H H 8.643 0.00 1 401 148 148 ASN N N 122.686 0.00 1 402 149 149 LEU H H 8.666 0.00 1 403 149 149 LEU HD1 H 0.332 0.00 1 404 149 149 LEU HD2 H 0.366 0.00 1 405 149 149 LEU CD1 C 25.423 0.00 1 406 149 149 LEU CD2 C 23.276 0.00 1 407 149 149 LEU N N 119.655 0.00 1 408 150 150 SER H H 8.395 0.00 1 409 150 150 SER N N 115.655 0.00 1 410 151 151 ASP H H 7.737 0.00 1 411 151 151 ASP N N 120.870 0.00 1 412 152 152 LEU H H 6.297 0.00 1 413 152 152 LEU HD1 H 0.477 0.00 1 414 152 152 LEU HD2 H -0.025 0.00 1 415 152 152 LEU CD1 C 25.941 0.00 1 416 152 152 LEU CD2 C 21.105 0.00 1 417 152 152 LEU N N 118.312 0.00 1 418 153 153 GLU H H 8.681 0.00 1 419 153 153 GLU N N 120.401 0.00 1 420 154 154 GLU H H 7.595 0.00 1 421 154 154 GLU N N 118.298 0.00 1 422 155 155 GLU H H 8.309 0.00 1 423 155 155 GLU N N 119.391 0.00 1 424 156 156 VAL H H 8.738 0.00 1 425 156 156 VAL HG1 H 0.833 0.00 1 426 156 156 VAL HG2 H 0.649 0.00 1 427 156 156 VAL CG1 C 22.191 0.00 1 428 156 156 VAL CG2 C 17.547 0.00 1 429 156 156 VAL N N 115.952 0.00 1 430 157 157 VAL H H 8.689 0.00 1 431 157 157 VAL HG1 H 0.368 0.00 1 432 157 157 VAL HG2 H 0.423 0.00 1 433 157 157 VAL CG1 C 21.510 0.00 1 434 157 157 VAL CG2 C 21.019 0.00 1 435 157 157 VAL N N 121.321 0.00 1 436 158 158 VAL H H 8.188 0.00 1 437 158 158 VAL HG1 H 0.922 0.00 1 438 158 158 VAL HG2 H 0.947 0.00 1 439 158 158 VAL CG1 C 23.171 0.00 1 440 158 158 VAL CG2 C 21.146 0.00 1 441 158 158 VAL N N 128.370 0.00 1 442 159 159 ILE H H 9.024 0.00 1 443 159 159 ILE HD1 H 0.570 0.00 1 444 159 159 ILE CD1 C 11.261 0.00 1 445 159 159 ILE N N 129.797 0.00 1 446 160 160 ALA H H 8.304 0.00 1 447 160 160 ALA N N 126.498 0.00 1 448 161 161 ARG H H 9.270 0.00 1 449 161 161 ARG N N 123.158 0.00 1 450 162 162 ASP H H 7.351 0.00 1 451 162 162 ASP N N 110.564 0.00 1 452 163 163 LEU H H 7.960 0.00 1 453 163 163 LEU HD2 H 0.080 0.00 1 454 163 163 LEU CD2 C 25.194 0.00 1 455 163 163 LEU N N 120.968 0.00 1 456 164 164 THR H H 9.390 0.00 1 457 164 164 THR N N 116.228 0.00 1 458 167 167 ASP H H 7.852 0.00 1 459 167 167 ASP N N 122.080 0.00 1 460 168 168 THR H H 7.763 0.00 1 461 168 168 THR N N 108.411 0.00 1 462 169 169 ALA H H 7.713 0.00 1 463 169 169 ALA N N 123.510 0.00 1 464 170 170 THR H H 7.400 0.00 1 465 170 170 THR N N 103.816 0.00 1 466 171 171 MET H H 7.132 0.00 1 467 171 171 MET N N 120.549 0.00 1 468 172 172 LYS H H 7.624 0.00 1 469 172 172 LYS N N 125.401 0.00 1 470 173 173 LYS H H 8.024 0.00 1 471 173 173 LYS N N 127.874 0.00 1 472 174 174 GLU H H 9.774 0.00 1 473 174 174 GLU N N 118.564 0.00 1 474 175 175 MET H H 7.587 0.00 1 475 175 175 MET N N 115.283 0.00 1 476 176 176 VAL H H 7.144 0.00 1 477 176 176 VAL HG1 H 0.426 0.00 1 478 176 176 VAL HG2 H 0.695 0.00 1 479 176 176 VAL CG1 C 21.591 0.00 1 480 176 176 VAL CG2 C 20.407 0.00 1 481 176 176 VAL N N 118.819 0.00 1 482 177 177 LEU H H 8.970 0.00 1 483 177 177 LEU HD1 H 0.711 0.00 1 484 177 177 LEU HD2 H 0.760 0.00 1 485 177 177 LEU CD1 C 25.864 0.00 1 486 177 177 LEU CD2 C 21.150 0.00 1 487 177 177 LEU N N 124.883 0.00 1 488 178 178 GLY H H 7.013 0.00 1 489 178 178 GLY N N 99.917 0.00 1 490 179 179 PHE H H 8.145 0.00 1 491 179 179 PHE N N 115.528 0.00 1 492 180 180 ALA H H 8.757 0.00 1 493 180 180 ALA N N 123.074 0.00 1 494 181 181 THR H H 8.289 0.00 1 495 181 181 THR N N 109.340 0.00 1 496 182 182 ASP H H 7.830 0.00 1 497 182 182 ASP N N 120.222 0.00 1 498 183 183 VAL H H 8.033 0.00 1 499 183 183 VAL HG1 H 0.931 0.00 1 500 183 183 VAL HG2 H 0.943 0.00 1 501 183 183 VAL CG1 C 21.142 0.00 1 502 183 183 VAL CG2 C 18.363 0.00 1 503 183 183 VAL N N 113.295 0.00 1 504 184 184 GLY H H 8.444 0.00 1 505 184 184 GLY N N 112.080 0.00 1 506 185 185 GLY H H 7.802 0.00 1 507 185 185 GLY N N 105.083 0.00 1 508 188 188 SER H H 7.313 0.00 1 509 188 188 SER N N 117.577 0.00 1 510 190 190 THR H H 8.479 0.00 1 511 190 190 THR N N 116.421 0.00 1 512 191 191 ALA H H 7.508 0.00 1 513 191 191 ALA N N 124.205 0.00 1 514 192 192 ILE H H 8.069 0.00 1 515 192 192 ILE HD1 H 0.693 0.00 1 516 192 192 ILE CD1 C 13.248 0.00 1 517 192 192 ILE N N 117.952 0.00 1 518 193 193 MET H H 8.237 0.00 1 519 193 193 MET N N 120.797 0.00 1 520 194 194 ALA H H 8.540 0.00 1 521 194 194 ALA N N 122.766 0.00 1 522 195 195 ARG H H 8.273 0.00 1 523 195 195 ARG N N 117.073 0.00 1 524 196 196 SER H H 7.963 0.00 1 525 196 196 SER N N 116.850 0.00 1 526 197 197 LEU H H 7.762 0.00 1 527 197 197 LEU HD1 H 0.804 0.00 1 528 197 197 LEU HD2 H 0.842 0.00 1 529 197 197 LEU CD1 C 25.988 0.00 1 530 197 197 LEU CD2 C 22.326 0.00 1 531 197 197 LEU N N 120.854 0.00 1 532 198 198 GLU H H 7.824 0.00 1 533 198 198 GLU N N 116.598 0.00 1 534 199 199 ILE H H 7.941 0.00 1 535 199 199 ILE HD1 H 0.422 0.00 1 536 199 199 ILE CD1 C 13.746 0.00 1 537 199 199 ILE N N 116.965 0.00 1 538 201 201 ALA H H 8.255 0.00 1 539 201 201 ALA N N 118.728 0.00 1 540 202 202 VAL H H 7.959 0.00 1 541 202 202 VAL HG1 H 0.843 0.00 1 542 202 202 VAL HG2 H 0.625 0.00 1 543 202 202 VAL CG1 C 23.084 0.00 1 544 202 202 VAL CG2 C 21.239 0.00 1 545 202 202 VAL N N 123.680 0.00 1 546 203 203 VAL H H 8.310 0.00 1 547 203 203 VAL HG1 H 0.631 0.00 1 548 203 203 VAL HG2 H 0.433 0.00 1 549 203 203 VAL CG1 C 19.628 0.00 1 550 203 203 VAL CG2 C 17.531 0.00 1 551 203 203 VAL N N 116.592 0.00 1 552 204 204 GLY H H 6.869 0.00 1 553 204 204 GLY N N 106.162 0.00 1 554 205 205 LEU H H 8.143 0.00 1 555 205 205 LEU HD1 H 0.755 0.00 1 556 205 205 LEU HD2 H 0.536 0.00 1 557 205 205 LEU CD1 C 27.639 0.00 1 558 205 205 LEU CD2 C 24.513 0.00 1 559 205 205 LEU N N 117.860 0.00 1 560 206 206 GLY H H 10.191 0.00 1 561 206 206 GLY N N 113.497 0.00 1 562 207 207 ASN H H 8.086 0.00 1 563 207 207 ASN N N 121.165 0.00 1 564 208 208 VAL H H 7.743 0.00 1 565 208 208 VAL HG1 H 0.733 0.00 1 566 208 208 VAL HG2 H 0.800 0.00 1 567 208 208 VAL CG1 C 22.489 0.00 1 568 208 208 VAL CG2 C 18.638 0.00 1 569 208 208 VAL N N 124.152 0.00 1 570 209 209 THR H H 9.270 0.00 1 571 209 209 THR N N 112.902 0.00 1 572 210 210 SER H H 7.256 0.00 1 573 210 210 SER N N 113.690 0.00 1 574 211 211 GLN H H 7.493 0.00 1 575 211 211 GLN N N 119.122 0.00 1 576 212 212 VAL H H 7.112 0.00 1 577 212 212 VAL HG1 H 0.738 0.00 1 578 212 212 VAL CG1 C 22.916 0.00 1 579 212 212 VAL N N 118.545 0.00 1 580 213 213 LYS H H 8.753 0.00 1 581 213 213 LYS N N 125.611 0.00 1 582 214 214 ALA H H 8.446 0.00 1 583 214 214 ALA N N 123.213 0.00 1 584 215 215 GLY H H 8.852 0.00 1 585 215 215 GLY N N 111.776 0.00 1 586 216 216 ASP H H 8.044 0.00 1 587 216 216 ASP N N 122.462 0.00 1 588 217 217 LEU H H 8.072 0.00 1 589 217 217 LEU HD1 H 0.773 0.00 1 590 217 217 LEU HD2 H 0.718 0.00 1 591 217 217 LEU CD1 C 25.609 0.00 1 592 217 217 LEU CD2 C 22.995 0.00 1 593 217 217 LEU N N 123.465 0.00 1 594 218 218 VAL H H 9.060 0.00 1 595 218 218 VAL HG1 H 0.685 0.00 1 596 218 218 VAL HG2 H 0.685 0.00 1 597 218 218 VAL CG1 C 22.684 0.00 1 598 218 218 VAL CG2 C 21.017 0.00 1 599 218 218 VAL N N 122.853 0.00 1 600 219 219 ILE H H 8.474 0.00 1 601 219 219 ILE HD1 H 0.467 0.00 1 602 219 219 ILE CD1 C 14.858 0.00 1 603 219 219 ILE N N 121.246 0.00 1 604 220 220 VAL H H 9.194 0.00 1 605 220 220 VAL HG1 H 0.602 0.00 1 606 220 220 VAL HG2 H 0.685 0.00 1 607 220 220 VAL CG1 C 21.851 0.00 1 608 220 220 VAL CG2 C 21.159 0.00 1 609 220 220 VAL N N 126.475 0.00 1 610 221 221 ASP H H 8.914 0.00 1 611 221 221 ASP N N 126.220 0.00 1 612 222 222 GLY H H 9.094 0.00 1 613 222 222 GLY N N 112.620 0.00 1 614 223 223 LEU H H 8.844 0.00 1 615 223 223 LEU HD1 H 0.600 0.00 1 616 223 223 LEU HD2 H 0.682 0.00 1 617 223 223 LEU CD1 C 24.516 0.00 1 618 223 223 LEU CD2 C 23.248 0.00 1 619 223 223 LEU N N 121.007 0.00 1 620 224 224 GLU H H 8.136 0.00 1 621 224 224 GLU N N 117.271 0.00 1 622 225 225 GLY H H 8.174 0.00 1 623 225 225 GLY N N 109.224 0.00 1 624 226 226 ILE H H 7.850 0.00 1 625 226 226 ILE HD1 H 0.799 0.00 1 626 226 226 ILE CD1 C 13.645 0.00 1 627 226 226 ILE N N 116.096 0.00 1 628 227 227 VAL H H 8.682 0.00 1 629 227 227 VAL HG1 H 0.802 0.00 1 630 227 227 VAL HG2 H 0.589 0.00 1 631 227 227 VAL CG1 C 23.425 0.00 1 632 227 227 VAL CG2 C 20.219 0.00 1 633 227 227 VAL N N 122.997 0.00 1 634 228 228 ILE H H 8.745 0.00 1 635 228 228 ILE HD1 H 0.588 0.00 1 636 228 228 ILE CD1 C 14.031 0.00 1 637 228 228 ILE N N 126.408 0.00 1 638 229 229 VAL H H 8.675 0.00 1 639 229 229 VAL HG1 H 0.943 0.00 1 640 229 229 VAL HG2 H 0.712 0.00 1 641 229 229 VAL CG1 C 21.512 0.00 1 642 229 229 VAL CG2 C 21.590 0.00 1 643 229 229 VAL N N 128.304 0.00 1 644 230 230 ASN H H 9.695 0.00 1 645 230 230 ASN N N 123.621 0.00 1 646 232 232 ASP H H 8.076 0.00 1 647 232 232 ASP N N 118.774 0.00 1 648 233 233 GLU H H 8.591 0.00 1 649 233 233 GLU N N 119.327 0.00 1 650 234 234 LYS H H 8.123 0.00 1 651 234 234 LYS N N 120.559 0.00 1 652 235 235 THR H H 8.063 0.00 1 653 235 235 THR N N 119.235 0.00 1 654 236 236 VAL H H 8.190 0.00 1 655 236 236 VAL HG1 H 0.877 0.00 1 656 236 236 VAL HG2 H 0.877 0.00 1 657 236 236 VAL CG1 C 23.726 0.00 1 658 236 236 VAL CG2 C 21.215 0.00 1 659 236 236 VAL N N 121.867 0.00 1 660 237 237 GLU H H 8.056 0.00 1 661 237 237 GLU N N 119.677 0.00 1 662 238 238 ASP H H 8.404 0.00 1 663 238 238 ASP N N 121.271 0.00 1 664 239 239 TYR H H 8.474 0.00 1 665 239 239 TYR N N 119.800 0.00 1 666 240 240 LYS H H 9.093 0.00 1 667 240 240 LYS N N 123.446 0.00 1 668 241 241 SER H H 7.801 0.00 1 669 241 241 SER N N 115.523 0.00 1 670 242 242 LYS H H 7.877 0.00 1 671 242 242 LYS N N 123.633 0.00 1 672 243 243 LYS H H 8.524 0.00 1 673 243 243 LYS N N 121.659 0.00 1 674 244 244 GLU H H 7.992 0.00 1 675 244 244 GLU N N 118.282 0.00 1 676 245 245 SER H H 7.862 0.00 1 677 245 245 SER N N 113.520 0.00 1 678 246 246 TYR H H 7.840 0.00 1 679 246 246 TYR N N 122.069 0.00 1 680 247 247 GLU H H 7.824 0.00 1 681 247 247 GLU N N 120.297 0.00 1 682 248 248 LYS H H 7.473 0.00 1 683 248 248 LYS N N 126.673 0.00 1 stop_ save_