data_19266 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19266 _Entry.Title ; Pre-Fusion Solution NMR Structure of Neuronal SNARE Syntaxin 1A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-24 _Entry.Accession_date 2013-05-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Binyong Liang . . . 19266 2 Volker Kiessling . . . 19266 3 Lukas Tamm . K. . 19266 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19266 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'membrane protein' . 19266 Prefusion . 19266 SNARE . 19266 'Solution NMR' . 19266 syntaxin . 19266 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19266 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 468 19266 '15N chemical shifts' 114 19266 '1H chemical shifts' 784 19266 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-12-03 2013-05-24 update BMRB 'update entry citation' 19266 1 . . 2013-11-11 2013-05-24 original author 'original release' 19266 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19266 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24218570 _Citation.Full_citation . _Citation.Title 'Prefusion structure of syntaxin-1A suggests pathway for folding into neuronal trans-SNARE complex fusion intermediate.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 110 _Citation.Journal_issue 48 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 19384 _Citation.Page_last 19389 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Binyong Liang . . . 19266 1 2 Volker Kiessling . . . 19266 1 3 Lukas Tamm . K. . 19266 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19266 _Assembly.ID 1 _Assembly.Name SNARE _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SNARE 1 $SNARE A . yes native no no . . . 19266 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SNARE _Entity.Sf_category entity _Entity.Sf_framecode SNARE _Entity.Entry_ID 19266 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SNARE _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMDSSISKQALSEIETRH SEIIKLENSIRELHDMFMDM AMLVESQGEMIDRIEYNVEH AVDYVERAVSDTKKAVKYQS KARRKKIMIIICCVILGIII ASTIGGIFG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12334.465 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1HVV . "Self-Association Of The H3 Region Of Syntaxin 1a: Implications For Snare Complex Assembly" . . . . . 68.81 75 100.00 100.00 7.68e-45 . . . . 19266 1 2 no PDB 1JTH . "Crystal Structure And Biophysical Properties Of A Complex Between The N-terminal Region Of Snap25 And The Snare Region Of Synta" . . . . . 70.64 77 100.00 100.00 4.81e-46 . . . . 19266 1 3 no PDB 1KIL . "Three-Dimensional Structure Of The ComplexinSNARE COMPLEX" . . . . . 55.05 62 100.00 100.00 7.48e-33 . . . . 19266 1 4 no PDB 1N7S . "High Resolution Structure Of A Truncated Neuronal Snare Complex" . . . . . 60.55 68 100.00 100.00 2.37e-37 . . . . 19266 1 5 no PDB 1SFC . "Neuronal Synaptic Fusion Complex" . . . . . 73.39 83 100.00 100.00 4.65e-48 . . . . 19266 1 6 no PDB 2M8R . "Pre-fusion Solution Nmr Structure Of Neuronal Snare Syntaxin 1a" . . . . . 100.00 109 100.00 100.00 2.72e-70 . . . . 19266 1 7 no PDB 2N1T . "Dynamic Binding Mode Of A Synaptotagmin-1-snare Complex In Solution" . . . . . 66.06 72 100.00 100.00 2.25e-42 . . . . 19266 1 8 no PDB 3C98 . "Revised Structure Of The Munc18a-Syntaxin1 Complex" . . . . . 77.98 279 100.00 100.00 1.77e-49 . . . . 19266 1 9 no PDB 3HD7 . "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup C 1 2 1" . . . . . 100.00 109 100.00 100.00 2.72e-70 . . . . 19266 1 10 no PDB 3IPD . "Helical Extension Of The Neuronal Snare Complex Into The Membrane, Spacegroup I 21 21 21" . . . . . 100.00 109 100.00 100.00 2.72e-70 . . . . 19266 1 11 no PDB 3J96 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state I)" . . . . . 60.55 67 100.00 100.00 2.00e-37 . . . . 19266 1 12 no PDB 3J97 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Ii)" . . . . . 60.55 67 100.00 100.00 2.00e-37 . . . . 19266 1 13 no PDB 3J98 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Iiia)" . . . . . 60.55 67 100.00 100.00 2.00e-37 . . . . 19266 1 14 no PDB 3J99 . "Structure Of 20s Supercomplex Determined By Single Particle Cryoelectron Microscopy (state Iiib)" . . . . . 60.55 67 100.00 100.00 2.00e-37 . . . . 19266 1 15 no PDB 3RK2 . "Truncated Snare Complex" . . . . . 57.80 65 100.00 100.00 3.01e-35 . . . . 19266 1 16 no PDB 3RK3 . "Truncated Snare Complex With Complexin" . . . . . 57.80 65 100.00 100.00 3.01e-35 . . . . 19266 1 17 no PDB 3RL0 . "Truncated Snare Complex With Complexin (P1)" . . . . . 57.80 65 100.00 100.00 3.01e-35 . . . . 19266 1 18 no PDB 4JEH . "Crystal Structure Of Munc18a And Syntaxin1 Lacking N-peptide Complex" . . . . . 77.06 243 100.00 100.00 2.15e-49 . . . . 19266 1 19 no PDB 4JEU . "Crystal Structure Of Munc18a And Syntaxin1 With Native N-terminus Complex" . . . . . 55.96 242 100.00 100.00 1.09e-32 . . . . 19266 1 20 no PDB 5CCG . "Structure Of The Ca2+-bound Synaptotagmin-1 Snare Complex (long Unit Cell Form)" . . . . . 60.55 67 100.00 100.00 2.00e-37 . . . . 19266 1 21 no PDB 5CCH . "Structure Of The Ca2+-bound Synaptotagmin-1 Snare Complex (short Unit Cell Form)" . . . . . 60.55 67 100.00 100.00 2.00e-37 . . . . 19266 1 22 no PDB 5CCI . "Structure Of The Mg2+-bound Synaptotagmin-1 Snare Complex (short Unit Cell Form)" . . . . . 60.55 67 100.00 100.00 2.00e-37 . . . . 19266 1 23 no DBJ BAA01231 . "HPC-1 antigen [Rattus norvegicus]" . . . . . 97.25 298 100.00 100.00 6.97e-67 . . . . 19266 1 24 no DBJ BAA02089 . "synaptotagmin associated 35kDa protein [Rattus norvegicus]" . . . . . 97.25 285 100.00 100.00 9.89e-67 . . . . 19266 1 25 no DBJ BAA07151 . "HPC-1 [Homo sapiens]" . . . . . 97.25 288 97.17 99.06 1.96e-65 . . . . 19266 1 26 no DBJ BAA28865 . "HPC-1/syntaxin [Mus musculus]" . . . . . 97.25 288 99.06 99.06 1.28e-65 . . . . 19266 1 27 no DBJ BAG36694 . "unnamed protein product [Homo sapiens]" . . . . . 97.25 288 97.17 99.06 1.96e-65 . . . . 19266 1 28 no EMBL CAG33299 . "STX1A [Homo sapiens]" . . . . . 97.25 288 97.17 99.06 1.96e-65 . . . . 19266 1 29 no GB AAA20940 . "syntaxin [Homo sapiens]" . . . . . 97.25 259 97.17 99.06 1.27e-65 . . . . 19266 1 30 no GB AAA42195 . "syntaxin A, partial [Rattus norvegicus]" . . . . . 97.25 285 100.00 100.00 9.89e-67 . . . . 19266 1 31 no GB AAA53519 . "syntaxin 1A [Homo sapiens]" . . . . . 97.25 288 97.17 99.06 1.96e-65 . . . . 19266 1 32 no GB AAB22525 . "syntaxin, P35A [rats, brain, Peptide Partial, 285 aa]" . . . . . 97.25 285 100.00 100.00 9.89e-67 . . . . 19266 1 33 no GB AAF23017 . "syntaxin 1A [Rattus norvegicus]" . . . . . 97.25 288 97.17 98.11 1.82e-64 . . . . 19266 1 34 no PIR G01485 . "syntaxin - human" . . . . . 97.25 259 97.17 99.06 1.27e-65 . . . . 19266 1 35 no PRF 2116295A . "syntaxin 1A" . . . . . 97.25 288 97.17 99.06 1.96e-65 . . . . 19266 1 36 no REF NP_001028037 . "syntaxin-1B [Macaca mulatta]" . . . . . 97.25 288 97.17 99.06 1.68e-65 . . . . 19266 1 37 no REF NP_004594 . "syntaxin-1A isoform 1 [Homo sapiens]" . . . . . 97.25 288 97.17 99.06 1.96e-65 . . . . 19266 1 38 no REF NP_058081 . "syntaxin-1A [Mus musculus]" . . . . . 97.25 288 99.06 99.06 1.28e-65 . . . . 19266 1 39 no REF NP_446240 . "syntaxin-1A [Rattus norvegicus]" . . . . . 97.25 288 100.00 100.00 1.28e-66 . . . . 19266 1 40 no REF XP_001146754 . "PREDICTED: syntaxin-1A [Pan troglodytes]" . . . . . 97.25 288 97.17 99.06 1.96e-65 . . . . 19266 1 41 no SP O35526 . "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1" . . . . . 97.25 288 99.06 99.06 1.28e-65 . . . . 19266 1 42 no SP P32851 . "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1; AltName: Full=Synaptotagmin-associated 35 kDa protein; " . . . . . 97.25 288 100.00 100.00 1.28e-66 . . . . 19266 1 43 no SP Q16623 . "RecName: Full=Syntaxin-1A; AltName: Full=Neuron-specific antigen HPC-1" . . . . . 97.25 288 97.17 99.06 1.96e-65 . . . . 19266 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 180 GLY . 19266 1 2 181 SER . 19266 1 3 182 HIS . 19266 1 4 183 MET . 19266 1 5 184 ASP . 19266 1 6 185 SER . 19266 1 7 186 SER . 19266 1 8 187 ILE . 19266 1 9 188 SER . 19266 1 10 189 LYS . 19266 1 11 190 GLN . 19266 1 12 191 ALA . 19266 1 13 192 LEU . 19266 1 14 193 SER . 19266 1 15 194 GLU . 19266 1 16 195 ILE . 19266 1 17 196 GLU . 19266 1 18 197 THR . 19266 1 19 198 ARG . 19266 1 20 199 HIS . 19266 1 21 200 SER . 19266 1 22 201 GLU . 19266 1 23 202 ILE . 19266 1 24 203 ILE . 19266 1 25 204 LYS . 19266 1 26 205 LEU . 19266 1 27 206 GLU . 19266 1 28 207 ASN . 19266 1 29 208 SER . 19266 1 30 209 ILE . 19266 1 31 210 ARG . 19266 1 32 211 GLU . 19266 1 33 212 LEU . 19266 1 34 213 HIS . 19266 1 35 214 ASP . 19266 1 36 215 MET . 19266 1 37 216 PHE . 19266 1 38 217 MET . 19266 1 39 218 ASP . 19266 1 40 219 MET . 19266 1 41 220 ALA . 19266 1 42 221 MET . 19266 1 43 222 LEU . 19266 1 44 223 VAL . 19266 1 45 224 GLU . 19266 1 46 225 SER . 19266 1 47 226 GLN . 19266 1 48 227 GLY . 19266 1 49 228 GLU . 19266 1 50 229 MET . 19266 1 51 230 ILE . 19266 1 52 231 ASP . 19266 1 53 232 ARG . 19266 1 54 233 ILE . 19266 1 55 234 GLU . 19266 1 56 235 TYR . 19266 1 57 236 ASN . 19266 1 58 237 VAL . 19266 1 59 238 GLU . 19266 1 60 239 HIS . 19266 1 61 240 ALA . 19266 1 62 241 VAL . 19266 1 63 242 ASP . 19266 1 64 243 TYR . 19266 1 65 244 VAL . 19266 1 66 245 GLU . 19266 1 67 246 ARG . 19266 1 68 247 ALA . 19266 1 69 248 VAL . 19266 1 70 249 SER . 19266 1 71 250 ASP . 19266 1 72 251 THR . 19266 1 73 252 LYS . 19266 1 74 253 LYS . 19266 1 75 254 ALA . 19266 1 76 255 VAL . 19266 1 77 256 LYS . 19266 1 78 257 TYR . 19266 1 79 258 GLN . 19266 1 80 259 SER . 19266 1 81 260 LYS . 19266 1 82 261 ALA . 19266 1 83 262 ARG . 19266 1 84 263 ARG . 19266 1 85 264 LYS . 19266 1 86 265 LYS . 19266 1 87 266 ILE . 19266 1 88 267 MET . 19266 1 89 268 ILE . 19266 1 90 269 ILE . 19266 1 91 270 ILE . 19266 1 92 271 CYS . 19266 1 93 272 CYS . 19266 1 94 273 VAL . 19266 1 95 274 ILE . 19266 1 96 275 LEU . 19266 1 97 276 GLY . 19266 1 98 277 ILE . 19266 1 99 278 ILE . 19266 1 100 279 ILE . 19266 1 101 280 ALA . 19266 1 102 281 SER . 19266 1 103 282 THR . 19266 1 104 283 ILE . 19266 1 105 284 GLY . 19266 1 106 285 GLY . 19266 1 107 286 ILE . 19266 1 108 287 PHE . 19266 1 109 288 GLY . 19266 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19266 1 . SER 2 2 19266 1 . HIS 3 3 19266 1 . MET 4 4 19266 1 . ASP 5 5 19266 1 . SER 6 6 19266 1 . SER 7 7 19266 1 . ILE 8 8 19266 1 . SER 9 9 19266 1 . LYS 10 10 19266 1 . GLN 11 11 19266 1 . ALA 12 12 19266 1 . LEU 13 13 19266 1 . SER 14 14 19266 1 . GLU 15 15 19266 1 . ILE 16 16 19266 1 . GLU 17 17 19266 1 . THR 18 18 19266 1 . ARG 19 19 19266 1 . HIS 20 20 19266 1 . SER 21 21 19266 1 . GLU 22 22 19266 1 . ILE 23 23 19266 1 . ILE 24 24 19266 1 . LYS 25 25 19266 1 . LEU 26 26 19266 1 . GLU 27 27 19266 1 . ASN 28 28 19266 1 . SER 29 29 19266 1 . ILE 30 30 19266 1 . ARG 31 31 19266 1 . GLU 32 32 19266 1 . LEU 33 33 19266 1 . HIS 34 34 19266 1 . ASP 35 35 19266 1 . MET 36 36 19266 1 . PHE 37 37 19266 1 . MET 38 38 19266 1 . ASP 39 39 19266 1 . MET 40 40 19266 1 . ALA 41 41 19266 1 . MET 42 42 19266 1 . LEU 43 43 19266 1 . VAL 44 44 19266 1 . GLU 45 45 19266 1 . SER 46 46 19266 1 . GLN 47 47 19266 1 . GLY 48 48 19266 1 . GLU 49 49 19266 1 . MET 50 50 19266 1 . ILE 51 51 19266 1 . ASP 52 52 19266 1 . ARG 53 53 19266 1 . ILE 54 54 19266 1 . GLU 55 55 19266 1 . TYR 56 56 19266 1 . ASN 57 57 19266 1 . VAL 58 58 19266 1 . GLU 59 59 19266 1 . HIS 60 60 19266 1 . ALA 61 61 19266 1 . VAL 62 62 19266 1 . ASP 63 63 19266 1 . TYR 64 64 19266 1 . VAL 65 65 19266 1 . GLU 66 66 19266 1 . ARG 67 67 19266 1 . ALA 68 68 19266 1 . VAL 69 69 19266 1 . SER 70 70 19266 1 . ASP 71 71 19266 1 . THR 72 72 19266 1 . LYS 73 73 19266 1 . LYS 74 74 19266 1 . ALA 75 75 19266 1 . VAL 76 76 19266 1 . LYS 77 77 19266 1 . TYR 78 78 19266 1 . GLN 79 79 19266 1 . SER 80 80 19266 1 . LYS 81 81 19266 1 . ALA 82 82 19266 1 . ARG 83 83 19266 1 . ARG 84 84 19266 1 . LYS 85 85 19266 1 . LYS 86 86 19266 1 . ILE 87 87 19266 1 . MET 88 88 19266 1 . ILE 89 89 19266 1 . ILE 90 90 19266 1 . ILE 91 91 19266 1 . CYS 92 92 19266 1 . CYS 93 93 19266 1 . VAL 94 94 19266 1 . ILE 95 95 19266 1 . LEU 96 96 19266 1 . GLY 97 97 19266 1 . ILE 98 98 19266 1 . ILE 99 99 19266 1 . ILE 100 100 19266 1 . ALA 101 101 19266 1 . SER 102 102 19266 1 . THR 103 103 19266 1 . ILE 104 104 19266 1 . GLY 105 105 19266 1 . GLY 106 106 19266 1 . ILE 107 107 19266 1 . PHE 108 108 19266 1 . GLY 109 109 19266 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19266 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SNARE . 10116 plasmid . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 19266 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19266 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SNARE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28a . . . . . . 19266 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19266 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SNARE '[U-13C; U-15N; U-2H]' . . 1 $SNARE . . 1 . . mM . . . . 19266 1 2 DPC 'natural abundance' . . . . . . 100 . . mM . . . . 19266 1 3 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 19266 1 4 MES 'natural abundance' . . . . . . 10 . . mM . . . . 19266 1 5 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 19266 1 6 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19266 1 7 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19266 1 8 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 19266 1 9 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19266 1 10 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19266 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19266 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SNARE '[U-100% 13C; U-100% 15N]' . . 1 $SNARE . . 1 . . mM . . . . 19266 2 2 DPC '[U-99% 2H]' . . . . . . 100 . . mM . . . . 19266 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19266 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19266 2 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19266 2 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19266 2 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19266 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19266 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 19266 1 pressure 1 . atm 19266 1 temperature 313 . K 19266 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19266 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.32 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19266 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19266 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19266 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19266 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19266 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19266 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19266 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19266 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19266 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19266 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19266 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19266 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19266 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19266 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19266 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19266 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19266 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19266 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19266 1 2 spectrometer_2 Bruker Avance . 600 . . . 19266 1 3 spectrometer_3 Varian INOVA . 600 . . . 19266 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19266 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 7 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 9 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 10 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 11 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19266 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19266 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19266 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19266 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19266 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_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 19266 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19266 1 2 '2D 1H-15N HSQC' . . . 19266 1 3 '3D HNCO' . . . 19266 1 4 '3D HNCA' . . . 19266 1 5 '3D HNCACB' . . . 19266 1 6 '3D HN(CO)CA' . . . 19266 1 7 '3D HNHA' . . . 19266 1 8 '3D HCCH-TOCSY' . . . 19266 1 9 '3D HCCH-COSY' . . . 19266 1 10 '3D H(CCO)NH' . . . 19266 1 11 '3D C(CO)NH' . . . 19266 1 14 '3D 1H-15N NOESY' . . . 19266 1 15 '3D 1H-13C NOESY' . . . 19266 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . . 1 2 2 SER CA C 13 58.334 0.014 . 1 . . . . 181 SER CA . 19266 1 2 . . 1 2 2 SER CB C 13 63.984 0.163 . 1 . . . . 181 SER CB . 19266 1 3 . . 1 2 2 SER HA H 1 4.482 0.005 . 1 . . . . 181 SER HA . 19266 1 4 . . 1 2 2 SER HB2 H 1 3.835 0.004 . 2 . . . . 181 SER HB2 . 19266 1 5 . . 1 2 2 SER HB3 H 1 3.809 0.003 . 2 . . . . 181 SER HB3 . 19266 1 6 . . 1 3 3 HIS C C 13 174.586 0.047 . 1 . . . . 182 HIS C . 19266 1 7 . . 1 3 3 HIS CA C 13 55.925 0.173 . 1 . . . . 182 HIS CA . 19266 1 8 . . 1 3 3 HIS CB C 13 29.405 0.212 . 1 . . . . 182 HIS CB . 19266 1 9 . . 1 3 3 HIS CD2 C 13 120.205 0.163 . 1 . . . . 182 HIS CD2 . 19266 1 10 . . 1 3 3 HIS HA H 1 4.692 0.008 . 1 . . . . 182 HIS HA . 19266 1 11 . . 1 3 3 HIS HB2 H 1 3.253 0.011 . 2 . . . . 182 HIS HB2 . 19266 1 12 . . 1 3 3 HIS HB3 H 1 3.165 0.008 . 2 . . . . 182 HIS HB3 . 19266 1 13 . . 1 3 3 HIS HD2 H 1 7.229 0.025 . 1 . . . . 182 HIS HD2 . 19266 1 14 . . 1 4 4 MET C C 13 175.545 0.009 . 1 . . . . 183 MET C . 19266 1 15 . . 1 4 4 MET CA C 13 55.680 0.156 . 1 . . . . 183 MET CA . 19266 1 16 . . 1 4 4 MET CB C 13 32.971 0.232 . 1 . . . . 183 MET CB . 19266 1 17 . . 1 4 4 MET CG C 13 32.088 0.136 . 1 . . . . 183 MET CG . 19266 1 18 . . 1 4 4 MET H H 1 8.407 0.020 . 1 . . . . 183 MET H . 19266 1 19 . . 1 4 4 MET HA H 1 4.445 0.011 . 1 . . . . 183 MET HA . 19266 1 20 . . 1 4 4 MET HB2 H 1 2.059 0.005 . 2 . . . . 183 MET HB2 . 19266 1 21 . . 1 4 4 MET HB3 H 1 1.964 0.005 . 2 . . . . 183 MET HB3 . 19266 1 22 . . 1 4 4 MET HG2 H 1 2.539 0.006 . 2 . . . . 183 MET HG2 . 19266 1 23 . . 1 4 4 MET HG3 H 1 2.489 0.007 . 2 . . . . 183 MET HG3 . 19266 1 24 . . 1 4 4 MET N N 15 121.088 0.157 . 1 . . . . 183 MET N . 19266 1 25 . . 1 4 4 MET HE1 H 1 1.887 0.012 . 1 . . . . 183 MET HE . 19266 1 26 . . 1 4 4 MET HE2 H 1 1.887 0.012 . 1 . . . . 183 MET HE . 19266 1 27 . . 1 4 4 MET HE3 H 1 1.887 0.012 . 1 . . . . 183 MET HE . 19266 1 28 . . 1 5 5 ASP C C 13 176.262 0.005 . 1 . . . . 184 ASP C . 19266 1 29 . . 1 5 5 ASP CA C 13 54.388 0.186 . 1 . . . . 184 ASP CA . 19266 1 30 . . 1 5 5 ASP CB C 13 41.339 0.216 . 1 . . . . 184 ASP CB . 19266 1 31 . . 1 5 5 ASP H H 1 8.274 0.018 . 1 . . . . 184 ASP H . 19266 1 32 . . 1 5 5 ASP HA H 1 4.610 0.003 . 1 . . . . 184 ASP HA . 19266 1 33 . . 1 5 5 ASP HB2 H 1 2.704 0.008 . 2 . . . . 184 ASP HB2 . 19266 1 34 . . 1 5 5 ASP HB3 H 1 2.670 0.003 . 2 . . . . 184 ASP HB3 . 19266 1 35 . . 1 5 5 ASP N N 15 121.533 0.146 . 1 . . . . 184 ASP N . 19266 1 36 . . 1 6 6 SER C C 13 174.746 0.004 . 1 . . . . 185 SER C . 19266 1 37 . . 1 6 6 SER CA C 13 58.809 0.292 . 1 . . . . 185 SER CA . 19266 1 38 . . 1 6 6 SER CB C 13 63.859 0.177 . 1 . . . . 185 SER CB . 19266 1 39 . . 1 6 6 SER H H 1 8.207 0.004 . 1 . . . . 185 SER H . 19266 1 40 . . 1 6 6 SER HA H 1 4.457 0.007 . 1 . . . . 185 SER HA . 19266 1 41 . . 1 6 6 SER HB2 H 1 3.932 0.012 . 2 . . . . 185 SER HB2 . 19266 1 42 . . 1 6 6 SER HB3 H 1 3.868 0.010 . 2 . . . . 185 SER HB3 . 19266 1 43 . . 1 6 6 SER N N 15 115.983 0.053 . 1 . . . . 185 SER N . 19266 1 44 . . 1 7 7 SER C C 13 175.037 0.038 . 1 . . . . 186 SER C . 19266 1 45 . . 1 7 7 SER CA C 13 59.085 0.162 . 1 . . . . 186 SER CA . 19266 1 46 . . 1 7 7 SER CB C 13 63.729 0.249 . 1 . . . . 186 SER CB . 19266 1 47 . . 1 7 7 SER H H 1 8.412 0.034 . 1 . . . . 186 SER H . 19266 1 48 . . 1 7 7 SER HA H 1 4.454 0.009 . 1 . . . . 186 SER HA . 19266 1 49 . . 1 7 7 SER HB2 H 1 3.978 0.010 . 2 . . . . 186 SER HB2 . 19266 1 50 . . 1 7 7 SER HB3 H 1 3.902 0.013 . 2 . . . . 186 SER HB3 . 19266 1 51 . . 1 7 7 SER N N 15 118.113 0.140 . 1 . . . . 186 SER N . 19266 1 52 . . 1 8 8 ILE C C 13 176.356 0.043 . 1 . . . . 187 ILE C . 19266 1 53 . . 1 8 8 ILE CA C 13 62.299 0.155 . 1 . . . . 187 ILE CA . 19266 1 54 . . 1 8 8 ILE CB C 13 38.038 0.242 . 1 . . . . 187 ILE CB . 19266 1 55 . . 1 8 8 ILE CD1 C 13 13.177 0.043 . 1 . . . . 187 ILE CD1 . 19266 1 56 . . 1 8 8 ILE CG1 C 13 28.046 0.066 . 1 . . . . 187 ILE CG1 . 19266 1 57 . . 1 8 8 ILE CG2 C 13 17.740 0.040 . 1 . . . . 187 ILE CG2 . 19266 1 58 . . 1 8 8 ILE H H 1 8.251 0.021 . 1 . . . . 187 ILE H . 19266 1 59 . . 1 8 8 ILE HA H 1 4.100 0.005 . 1 . . . . 187 ILE HA . 19266 1 60 . . 1 8 8 ILE HB H 1 1.929 0.005 . 1 . . . . 187 ILE HB . 19266 1 61 . . 1 8 8 ILE HG12 H 1 1.556 0.008 . 2 . . . . 187 ILE HG12 . 19266 1 62 . . 1 8 8 ILE HG13 H 1 1.234 0.008 . 2 . . . . 187 ILE HG13 . 19266 1 63 . . 1 8 8 ILE N N 15 122.109 0.118 . 1 . . . . 187 ILE N . 19266 1 64 . . 1 8 8 ILE HD11 H 1 0.875 0.006 . 1 . . . . 187 ILE HD1 . 19266 1 65 . . 1 8 8 ILE HD12 H 1 0.875 0.006 . 1 . . . . 187 ILE HD1 . 19266 1 66 . . 1 8 8 ILE HD13 H 1 0.875 0.006 . 1 . . . . 187 ILE HD1 . 19266 1 67 . . 1 8 8 ILE HG21 H 1 0.908 0.015 . 1 . . . . 187 ILE HG2 . 19266 1 68 . . 1 8 8 ILE HG22 H 1 0.908 0.015 . 1 . . . . 187 ILE HG2 . 19266 1 69 . . 1 8 8 ILE HG23 H 1 0.908 0.015 . 1 . . . . 187 ILE HG2 . 19266 1 70 . . 1 9 9 SER C C 13 175.196 0.022 . 1 . . . . 188 SER C . 19266 1 71 . . 1 9 9 SER CA C 13 59.718 0.223 . 1 . . . . 188 SER CA . 19266 1 72 . . 1 9 9 SER CB C 13 63.585 0.243 . 1 . . . . 188 SER CB . 19266 1 73 . . 1 9 9 SER H H 1 8.121 0.013 . 1 . . . . 188 SER H . 19266 1 74 . . 1 9 9 SER HA H 1 4.284 0.008 . 1 . . . . 188 SER HA . 19266 1 75 . . 1 9 9 SER HB2 H 1 3.972 0.010 . 2 . . . . 188 SER HB2 . 19266 1 76 . . 1 9 9 SER HB3 H 1 3.870 0.007 . 2 . . . . 188 SER HB3 . 19266 1 77 . . 1 9 9 SER N N 15 117.464 0.117 . 1 . . . . 188 SER N . 19266 1 78 . . 1 10 10 LYS C C 13 178.453 0.049 . 1 . . . . 189 LYS C . 19266 1 79 . . 1 10 10 LYS CA C 13 58.526 0.193 . 1 . . . . 189 LYS CA . 19266 1 80 . . 1 10 10 LYS CB C 13 32.401 0.253 . 1 . . . . 189 LYS CB . 19266 1 81 . . 1 10 10 LYS CD C 13 29.205 0.043 . 1 . . . . 189 LYS CD . 19266 1 82 . . 1 10 10 LYS CE C 13 42.188 0.017 . 1 . . . . 189 LYS CE . 19266 1 83 . . 1 10 10 LYS CG C 13 25.173 0.057 . 1 . . . . 189 LYS CG . 19266 1 84 . . 1 10 10 LYS H H 1 8.185 0.017 . 1 . . . . 189 LYS H . 19266 1 85 . . 1 10 10 LYS HA H 1 4.105 0.011 . 1 . . . . 189 LYS HA . 19266 1 86 . . 1 10 10 LYS HG2 H 1 1.521 0.011 . 2 . . . . 189 LYS HG2 . 19266 1 87 . . 1 10 10 LYS HG3 H 1 1.437 0.005 . 2 . . . . 189 LYS HG3 . 19266 1 88 . . 1 10 10 LYS N N 15 122.035 0.115 . 1 . . . . 189 LYS N . 19266 1 89 . . 1 10 10 LYS HB2 H 1 1.874 0.011 . 2 . . . . 189 LYS HB . 19266 1 90 . . 1 10 10 LYS HB3 H 1 1.874 0.011 . 2 . . . . 189 LYS HB . 19266 1 91 . . 1 10 10 LYS HD2 H 1 1.701 0.008 . 2 . . . . 189 LYS HD . 19266 1 92 . . 1 10 10 LYS HD3 H 1 1.701 0.008 . 2 . . . . 189 LYS HD . 19266 1 93 . . 1 10 10 LYS HE2 H 1 2.981 0.005 . 2 . . . . 189 LYS HE . 19266 1 94 . . 1 10 10 LYS HE3 H 1 2.981 0.005 . 2 . . . . 189 LYS HE . 19266 1 95 . . 1 11 11 GLN C C 13 177.554 0.041 . 1 . . . . 190 GLN C . 19266 1 96 . . 1 11 11 GLN CA C 13 58.010 0.295 . 1 . . . . 190 GLN CA . 19266 1 97 . . 1 11 11 GLN CB C 13 28.827 0.429 . 1 . . . . 190 GLN CB . 19266 1 98 . . 1 11 11 GLN CG C 13 34.073 0.119 . 1 . . . . 190 GLN CG . 19266 1 99 . . 1 11 11 GLN H H 1 8.166 0.016 . 1 . . . . 190 GLN H . 19266 1 100 . . 1 11 11 GLN HA H 1 4.156 0.006 . 1 . . . . 190 GLN HA . 19266 1 101 . . 1 11 11 GLN HE21 H 1 7.457 0.012 . 2 . . . . 190 GLN HE21 . 19266 1 102 . . 1 11 11 GLN HE22 H 1 6.764 0.004 . 2 . . . . 190 GLN HE22 . 19266 1 103 . . 1 11 11 GLN N N 15 119.706 0.117 . 1 . . . . 190 GLN N . 19266 1 104 . . 1 11 11 GLN NE2 N 15 111.428 0.254 . 1 . . . . 190 GLN NE2 . 19266 1 105 . . 1 11 11 GLN HB2 H 1 2.096 0.007 . 2 . . . . 190 GLN HB . 19266 1 106 . . 1 11 11 GLN HB3 H 1 2.096 0.007 . 2 . . . . 190 GLN HB . 19266 1 107 . . 1 11 11 GLN HG2 H 1 2.399 0.009 . 2 . . . . 190 GLN HG . 19266 1 108 . . 1 11 11 GLN HG3 H 1 2.399 0.009 . 2 . . . . 190 GLN HG . 19266 1 109 . . 1 12 12 ALA C C 13 178.843 0.059 . 1 . . . . 191 ALA C . 19266 1 110 . . 1 12 12 ALA CA C 13 54.410 0.225 . 1 . . . . 191 ALA CA . 19266 1 111 . . 1 12 12 ALA CB C 13 18.632 0.266 . 1 . . . . 191 ALA CB . 19266 1 112 . . 1 12 12 ALA H H 1 8.245 0.017 . 1 . . . . 191 ALA H . 19266 1 113 . . 1 12 12 ALA HA H 1 4.142 0.020 . 1 . . . . 191 ALA HA . 19266 1 114 . . 1 12 12 ALA N N 15 122.733 0.154 . 1 . . . . 191 ALA N . 19266 1 115 . . 1 12 12 ALA HB1 H 1 1.449 0.006 . 1 . . . . 191 ALA HB . 19266 1 116 . . 1 12 12 ALA HB2 H 1 1.449 0.006 . 1 . . . . 191 ALA HB . 19266 1 117 . . 1 12 12 ALA HB3 H 1 1.449 0.006 . 1 . . . . 191 ALA HB . 19266 1 118 . . 1 13 13 LEU C C 13 178.558 0.030 . 1 . . . . 192 LEU C . 19266 1 119 . . 1 13 13 LEU CA C 13 57.246 0.360 . 1 . . . . 192 LEU CA . 19266 1 120 . . 1 13 13 LEU CB C 13 41.748 0.290 . 1 . . . . 192 LEU CB . 19266 1 121 . . 1 13 13 LEU CD1 C 13 24.671 0.183 . 1 . . . . 192 LEU CD1 . 19266 1 122 . . 1 13 13 LEU CD2 C 13 24.168 0.130 . 1 . . . . 192 LEU CD2 . 19266 1 123 . . 1 13 13 LEU CG C 13 27.174 0.049 . 1 . . . . 192 LEU CG . 19266 1 124 . . 1 13 13 LEU H H 1 8.054 0.014 . 1 . . . . 192 LEU H . 19266 1 125 . . 1 13 13 LEU HA H 1 4.134 0.008 . 1 . . . . 192 LEU HA . 19266 1 126 . . 1 13 13 LEU HB2 H 1 1.741 0.007 . 2 . . . . 192 LEU HB2 . 19266 1 127 . . 1 13 13 LEU HB3 H 1 1.669 0.007 . 2 . . . . 192 LEU HB3 . 19266 1 128 . . 1 13 13 LEU HG H 1 1.735 0.006 . 1 . . . . 192 LEU HG . 19266 1 129 . . 1 13 13 LEU N N 15 117.872 0.138 . 1 . . . . 192 LEU N . 19266 1 130 . . 1 13 13 LEU HD11 H 1 0.910 0.009 . 2 . . . . 192 LEU HD1 . 19266 1 131 . . 1 13 13 LEU HD12 H 1 0.910 0.009 . 2 . . . . 192 LEU HD1 . 19266 1 132 . . 1 13 13 LEU HD13 H 1 0.910 0.009 . 2 . . . . 192 LEU HD1 . 19266 1 133 . . 1 13 13 LEU HD21 H 1 0.875 0.007 . 2 . . . . 192 LEU HD2 . 19266 1 134 . . 1 13 13 LEU HD22 H 1 0.875 0.007 . 2 . . . . 192 LEU HD2 . 19266 1 135 . . 1 13 13 LEU HD23 H 1 0.875 0.007 . 2 . . . . 192 LEU HD2 . 19266 1 136 . . 1 14 14 SER C C 13 176.327 0.042 . 1 . . . . 193 SER C . 19266 1 137 . . 1 14 14 SER CA C 13 60.659 0.196 . 1 . . . . 193 SER CA . 19266 1 138 . . 1 14 14 SER CB C 13 63.268 0.277 . 1 . . . . 193 SER CB . 19266 1 139 . . 1 14 14 SER H H 1 8.057 0.013 . 1 . . . . 193 SER H . 19266 1 140 . . 1 14 14 SER HA H 1 4.299 0.028 . 1 . . . . 193 SER HA . 19266 1 141 . . 1 14 14 SER HB2 H 1 4.005 0.006 . 2 . . . . 193 SER HB2 . 19266 1 142 . . 1 14 14 SER HB3 H 1 3.973 0.007 . 2 . . . . 193 SER HB3 . 19266 1 143 . . 1 14 14 SER N N 15 114.424 0.106 . 1 . . . . 193 SER N . 19266 1 144 . . 1 15 15 GLU C C 13 178.155 0.019 . 1 . . . . 194 GLU C . 19266 1 145 . . 1 15 15 GLU CA C 13 58.121 0.243 . 1 . . . . 194 GLU CA . 19266 1 146 . . 1 15 15 GLU CB C 13 29.206 0.296 . 1 . . . . 194 GLU CB . 19266 1 147 . . 1 15 15 GLU CG C 13 35.285 0.163 . 1 . . . . 194 GLU CG . 19266 1 148 . . 1 15 15 GLU H H 1 8.039 0.017 . 1 . . . . 194 GLU H . 19266 1 149 . . 1 15 15 GLU HA H 1 4.230 0.006 . 1 . . . . 194 GLU HA . 19266 1 150 . . 1 15 15 GLU N N 15 121.340 0.150 . 1 . . . . 194 GLU N . 19266 1 151 . . 1 15 15 GLU HB2 H 1 2.104 0.011 . 2 . . . . 194 GLU HB . 19266 1 152 . . 1 15 15 GLU HB3 H 1 2.104 0.011 . 2 . . . . 194 GLU HB . 19266 1 153 . . 1 15 15 GLU HG2 H 1 2.354 0.017 . 2 . . . . 194 GLU HG . 19266 1 154 . . 1 15 15 GLU HG3 H 1 2.354 0.017 . 2 . . . . 194 GLU HG . 19266 1 155 . . 1 16 16 ILE C C 13 177.279 0.036 . 1 . . . . 195 ILE C . 19266 1 156 . . 1 16 16 ILE CA C 13 63.991 0.259 . 1 . . . . 195 ILE CA . 19266 1 157 . . 1 16 16 ILE CB C 13 37.968 0.329 . 1 . . . . 195 ILE CB . 19266 1 158 . . 1 16 16 ILE CD1 C 13 13.534 0.077 . 1 . . . . 195 ILE CD1 . 19266 1 159 . . 1 16 16 ILE CG1 C 13 28.952 0.129 . 1 . . . . 195 ILE CG1 . 19266 1 160 . . 1 16 16 ILE CG2 C 13 17.759 0.049 . 1 . . . . 195 ILE CG2 . 19266 1 161 . . 1 16 16 ILE H H 1 7.918 0.015 . 1 . . . . 195 ILE H . 19266 1 162 . . 1 16 16 ILE HA H 1 3.832 0.013 . 1 . . . . 195 ILE HA . 19266 1 163 . . 1 16 16 ILE HB H 1 1.989 0.015 . 1 . . . . 195 ILE HB . 19266 1 164 . . 1 16 16 ILE HG12 H 1 1.708 0.009 . 2 . . . . 195 ILE HG12 . 19266 1 165 . . 1 16 16 ILE HG13 H 1 1.195 0.007 . 2 . . . . 195 ILE HG13 . 19266 1 166 . . 1 16 16 ILE N N 15 119.134 0.110 . 1 . . . . 195 ILE N . 19266 1 167 . . 1 16 16 ILE HD11 H 1 0.851 0.004 . 1 . . . . 195 ILE HD1 . 19266 1 168 . . 1 16 16 ILE HD12 H 1 0.851 0.004 . 1 . . . . 195 ILE HD1 . 19266 1 169 . . 1 16 16 ILE HD13 H 1 0.851 0.004 . 1 . . . . 195 ILE HD1 . 19266 1 170 . . 1 16 16 ILE HG21 H 1 0.920 0.007 . 1 . . . . 195 ILE HG2 . 19266 1 171 . . 1 16 16 ILE HG22 H 1 0.920 0.007 . 1 . . . . 195 ILE HG2 . 19266 1 172 . . 1 16 16 ILE HG23 H 1 0.920 0.007 . 1 . . . . 195 ILE HG2 . 19266 1 173 . . 1 17 17 GLU C C 13 178.239 0.047 . 1 . . . . 196 GLU C . 19266 1 174 . . 1 17 17 GLU CA C 13 58.518 0.240 . 1 . . . . 196 GLU CA . 19266 1 175 . . 1 17 17 GLU CB C 13 29.353 0.494 . 1 . . . . 196 GLU CB . 19266 1 176 . . 1 17 17 GLU CG C 13 35.850 0.177 . 1 . . . . 196 GLU CG . 19266 1 177 . . 1 17 17 GLU H H 1 8.159 0.038 . 1 . . . . 196 GLU H . 19266 1 178 . . 1 17 17 GLU HA H 1 4.111 0.013 . 1 . . . . 196 GLU HA . 19266 1 179 . . 1 17 17 GLU HG2 H 1 2.400 0.016 . 2 . . . . 196 GLU HG2 . 19266 1 180 . . 1 17 17 GLU HG3 H 1 2.262 0.010 . 2 . . . . 196 GLU HG3 . 19266 1 181 . . 1 17 17 GLU N N 15 119.823 0.165 . 1 . . . . 196 GLU N . 19266 1 182 . . 1 17 17 GLU HB2 H 1 2.118 0.011 . 2 . . . . 196 GLU HB . 19266 1 183 . . 1 17 17 GLU HB3 H 1 2.118 0.011 . 2 . . . . 196 GLU HB . 19266 1 184 . . 1 18 18 THR C C 13 175.843 0.029 . 1 . . . . 197 THR C . 19266 1 185 . . 1 18 18 THR CA C 13 64.214 0.168 . 1 . . . . 197 THR CA . 19266 1 186 . . 1 18 18 THR CB C 13 69.353 0.161 . 1 . . . . 197 THR CB . 19266 1 187 . . 1 18 18 THR CG2 C 13 21.828 0.046 . 1 . . . . 197 THR CG2 . 19266 1 188 . . 1 18 18 THR H H 1 7.976 0.013 . 1 . . . . 197 THR H . 19266 1 189 . . 1 18 18 THR HA H 1 4.193 0.009 . 1 . . . . 197 THR HA . 19266 1 190 . . 1 18 18 THR HB H 1 4.302 0.009 . 1 . . . . 197 THR HB . 19266 1 191 . . 1 18 18 THR N N 15 112.638 0.122 . 1 . . . . 197 THR N . 19266 1 192 . . 1 18 18 THR HG21 H 1 1.277 0.008 . 1 . . . . 197 THR HG2 . 19266 1 193 . . 1 18 18 THR HG22 H 1 1.277 0.008 . 1 . . . . 197 THR HG2 . 19266 1 194 . . 1 18 18 THR HG23 H 1 1.277 0.008 . 1 . . . . 197 THR HG2 . 19266 1 195 . . 1 19 19 ARG C C 13 176.678 0.022 . 1 . . . . 198 ARG C . 19266 1 196 . . 1 19 19 ARG CA C 13 56.393 0.289 . 1 . . . . 198 ARG CA . 19266 1 197 . . 1 19 19 ARG CB C 13 29.911 0.441 . 1 . . . . 198 ARG CB . 19266 1 198 . . 1 19 19 ARG CD C 13 43.468 0.175 . 1 . . . . 198 ARG CD . 19266 1 199 . . 1 19 19 ARG CG C 13 27.596 0.096 . 1 . . . . 198 ARG CG . 19266 1 200 . . 1 19 19 ARG H H 1 7.891 0.033 . 1 . . . . 198 ARG H . 19266 1 201 . . 1 19 19 ARG HA H 1 4.492 0.037 . 1 . . . . 198 ARG HA . 19266 1 202 . . 1 19 19 ARG HB2 H 1 1.938 0.012 . 2 . . . . 198 ARG HB2 . 19266 1 203 . . 1 19 19 ARG HB3 H 1 1.766 0.014 . 2 . . . . 198 ARG HB3 . 19266 1 204 . . 1 19 19 ARG HD2 H 1 3.188 0.011 . 2 . . . . 198 ARG HD2 . 19266 1 205 . . 1 19 19 ARG HD3 H 1 3.106 0.010 . 2 . . . . 198 ARG HD3 . 19266 1 206 . . 1 19 19 ARG HE H 1 7.654 0.013 . 1 . . . . 198 ARG HE . 19266 1 207 . . 1 19 19 ARG N N 15 120.624 0.114 . 1 . . . . 198 ARG N . 19266 1 208 . . 1 19 19 ARG NE N 15 84.748 0.064 . 1 . . . . 198 ARG NE . 19266 1 209 . . 1 19 19 ARG HG2 H 1 1.689 0.016 . 2 . . . . 198 ARG HG . 19266 1 210 . . 1 19 19 ARG HG3 H 1 1.689 0.016 . 2 . . . . 198 ARG HG . 19266 1 211 . . 1 20 20 HIS C C 13 175.801 0.054 . 1 . . . . 199 HIS C . 19266 1 212 . . 1 20 20 HIS CA C 13 57.741 0.256 . 1 . . . . 199 HIS CA . 19266 1 213 . . 1 20 20 HIS CB C 13 28.876 0.288 . 1 . . . . 199 HIS CB . 19266 1 214 . . 1 20 20 HIS CD2 C 13 120.116 0.074 . 1 . . . . 199 HIS CD2 . 19266 1 215 . . 1 20 20 HIS H H 1 8.004 0.022 . 1 . . . . 199 HIS H . 19266 1 216 . . 1 20 20 HIS HA H 1 4.540 0.026 . 1 . . . . 199 HIS HA . 19266 1 217 . . 1 20 20 HIS HD2 H 1 7.218 0.020 . 1 . . . . 199 HIS HD2 . 19266 1 218 . . 1 20 20 HIS N N 15 118.587 0.178 . 1 . . . . 199 HIS N . 19266 1 219 . . 1 20 20 HIS HB2 H 1 3.310 0.017 . 2 . . . . 199 HIS HB . 19266 1 220 . . 1 20 20 HIS HB3 H 1 3.310 0.017 . 2 . . . . 199 HIS HB . 19266 1 221 . . 1 21 21 SER C C 13 176.444 0.038 . 1 . . . . 200 SER C . 19266 1 222 . . 1 21 21 SER CA C 13 61.444 0.269 . 1 . . . . 200 SER CA . 19266 1 223 . . 1 21 21 SER CB C 13 62.952 0.396 . 1 . . . . 200 SER CB . 19266 1 224 . . 1 21 21 SER H H 1 8.501 0.019 . 1 . . . . 200 SER H . 19266 1 225 . . 1 21 21 SER HA H 1 4.170 0.009 . 1 . . . . 200 SER HA . 19266 1 226 . . 1 21 21 SER N N 15 115.289 0.154 . 1 . . . . 200 SER N . 19266 1 227 . . 1 21 21 SER HB2 H 1 3.972 0.049 . 2 . . . . 200 SER HB . 19266 1 228 . . 1 21 21 SER HB3 H 1 3.972 0.049 . 2 . . . . 200 SER HB . 19266 1 229 . . 1 22 22 GLU C C 13 178.089 0.017 . 1 . . . . 201 GLU C . 19266 1 230 . . 1 22 22 GLU CA C 13 58.783 0.267 . 1 . . . . 201 GLU CA . 19266 1 231 . . 1 22 22 GLU CB C 13 28.655 0.548 . 1 . . . . 201 GLU CB . 19266 1 232 . . 1 22 22 GLU CG C 13 35.872 0.177 . 1 . . . . 201 GLU CG . 19266 1 233 . . 1 22 22 GLU H H 1 8.724 0.034 . 1 . . . . 201 GLU H . 19266 1 234 . . 1 22 22 GLU HA H 1 4.174 0.008 . 1 . . . . 201 GLU HA . 19266 1 235 . . 1 22 22 GLU HB2 H 1 2.145 0.062 . 2 . . . . 201 GLU HB2 . 19266 1 236 . . 1 22 22 GLU HB3 H 1 2.059 0.008 . 2 . . . . 201 GLU HB3 . 19266 1 237 . . 1 22 22 GLU N N 15 122.331 0.140 . 1 . . . . 201 GLU N . 19266 1 238 . . 1 22 22 GLU HG2 H 1 2.394 0.011 . 2 . . . . 201 GLU HG . 19266 1 239 . . 1 22 22 GLU HG3 H 1 2.394 0.011 . 2 . . . . 201 GLU HG . 19266 1 240 . . 1 23 23 ILE C C 13 177.324 0.035 . 1 . . . . 202 ILE C . 19266 1 241 . . 1 23 23 ILE CA C 13 64.184 0.222 . 1 . . . . 202 ILE CA . 19266 1 242 . . 1 23 23 ILE CB C 13 37.524 0.223 . 1 . . . . 202 ILE CB . 19266 1 243 . . 1 23 23 ILE CD1 C 13 13.182 0.078 . 1 . . . . 202 ILE CD1 . 19266 1 244 . . 1 23 23 ILE CG1 C 13 29.005 0.134 . 1 . . . . 202 ILE CG1 . 19266 1 245 . . 1 23 23 ILE CG2 C 13 17.798 0.054 . 1 . . . . 202 ILE CG2 . 19266 1 246 . . 1 23 23 ILE H H 1 7.975 0.013 . 1 . . . . 202 ILE H . 19266 1 247 . . 1 23 23 ILE HA H 1 3.789 0.015 . 1 . . . . 202 ILE HA . 19266 1 248 . . 1 23 23 ILE HB H 1 2.017 0.008 . 1 . . . . 202 ILE HB . 19266 1 249 . . 1 23 23 ILE HG12 H 1 1.678 0.014 . 2 . . . . 202 ILE HG12 . 19266 1 250 . . 1 23 23 ILE HG13 H 1 1.216 0.008 . 2 . . . . 202 ILE HG13 . 19266 1 251 . . 1 23 23 ILE N N 15 119.106 0.103 . 1 . . . . 202 ILE N . 19266 1 252 . . 1 23 23 ILE HD11 H 1 0.852 0.004 . 1 . . . . 202 ILE HD1 . 19266 1 253 . . 1 23 23 ILE HD12 H 1 0.852 0.004 . 1 . . . . 202 ILE HD1 . 19266 1 254 . . 1 23 23 ILE HD13 H 1 0.852 0.004 . 1 . . . . 202 ILE HD1 . 19266 1 255 . . 1 23 23 ILE HG21 H 1 0.923 0.005 . 1 . . . . 202 ILE HG2 . 19266 1 256 . . 1 23 23 ILE HG22 H 1 0.923 0.005 . 1 . . . . 202 ILE HG2 . 19266 1 257 . . 1 23 23 ILE HG23 H 1 0.923 0.005 . 1 . . . . 202 ILE HG2 . 19266 1 258 . . 1 24 24 ILE C C 13 178.007 0.053 . 1 . . . . 203 ILE C . 19266 1 259 . . 1 24 24 ILE CA C 13 63.751 0.186 . 1 . . . . 203 ILE CA . 19266 1 260 . . 1 24 24 ILE CB C 13 37.353 0.375 . 1 . . . . 203 ILE CB . 19266 1 261 . . 1 24 24 ILE CD1 C 13 12.460 0.142 . 1 . . . . 203 ILE CD1 . 19266 1 262 . . 1 24 24 ILE CG1 C 13 28.363 0.158 . 1 . . . . 203 ILE CG1 . 19266 1 263 . . 1 24 24 ILE CG2 C 13 17.588 0.086 . 1 . . . . 203 ILE CG2 . 19266 1 264 . . 1 24 24 ILE H H 1 7.705 0.018 . 1 . . . . 203 ILE H . 19266 1 265 . . 1 24 24 ILE HA H 1 3.836 0.013 . 1 . . . . 203 ILE HA . 19266 1 266 . . 1 24 24 ILE HB H 1 1.936 0.006 . 1 . . . . 203 ILE HB . 19266 1 267 . . 1 24 24 ILE HG12 H 1 1.461 0.008 . 2 . . . . 203 ILE HG12 . 19266 1 268 . . 1 24 24 ILE HG13 H 1 1.207 0.009 . 2 . . . . 203 ILE HG13 . 19266 1 269 . . 1 24 24 ILE N N 15 119.885 0.101 . 1 . . . . 203 ILE N . 19266 1 270 . . 1 24 24 ILE HD11 H 1 0.800 0.024 . 1 . . . . 203 ILE HD1 . 19266 1 271 . . 1 24 24 ILE HD12 H 1 0.800 0.024 . 1 . . . . 203 ILE HD1 . 19266 1 272 . . 1 24 24 ILE HD13 H 1 0.800 0.024 . 1 . . . . 203 ILE HD1 . 19266 1 273 . . 1 24 24 ILE HG21 H 1 0.904 0.013 . 1 . . . . 203 ILE HG2 . 19266 1 274 . . 1 24 24 ILE HG22 H 1 0.904 0.013 . 1 . . . . 203 ILE HG2 . 19266 1 275 . . 1 24 24 ILE HG23 H 1 0.904 0.013 . 1 . . . . 203 ILE HG2 . 19266 1 276 . . 1 25 25 LYS C C 13 179.452 0.032 . 1 . . . . 204 LYS C . 19266 1 277 . . 1 25 25 LYS CA C 13 59.072 0.200 . 1 . . . . 204 LYS CA . 19266 1 278 . . 1 25 25 LYS CB C 13 32.297 0.309 . 1 . . . . 204 LYS CB . 19266 1 279 . . 1 25 25 LYS CD C 13 29.425 0.081 . 1 . . . . 204 LYS CD . 19266 1 280 . . 1 25 25 LYS CE C 13 42.173 0.026 . 1 . . . . 204 LYS CE . 19266 1 281 . . 1 25 25 LYS CG C 13 25.412 0.060 . 1 . . . . 204 LYS CG . 19266 1 282 . . 1 25 25 LYS H H 1 7.602 0.026 . 1 . . . . 204 LYS H . 19266 1 283 . . 1 25 25 LYS HA H 1 4.160 0.008 . 1 . . . . 204 LYS HA . 19266 1 284 . . 1 25 25 LYS HG2 H 1 1.587 0.009 . 2 . . . . 204 LYS HG2 . 19266 1 285 . . 1 25 25 LYS HG3 H 1 1.461 0.005 . 2 . . . . 204 LYS HG3 . 19266 1 286 . . 1 25 25 LYS N N 15 119.918 0.110 . 1 . . . . 204 LYS N . 19266 1 287 . . 1 25 25 LYS HB2 H 1 1.948 0.011 . 2 . . . . 204 LYS HB . 19266 1 288 . . 1 25 25 LYS HB3 H 1 1.948 0.011 . 2 . . . . 204 LYS HB . 19266 1 289 . . 1 25 25 LYS HD2 H 1 1.722 0.009 . 2 . . . . 204 LYS HD . 19266 1 290 . . 1 25 25 LYS HD3 H 1 1.722 0.009 . 2 . . . . 204 LYS HD . 19266 1 291 . . 1 25 25 LYS HE2 H 1 2.959 0.010 . 2 . . . . 204 LYS HE . 19266 1 292 . . 1 25 25 LYS HE3 H 1 2.959 0.010 . 2 . . . . 204 LYS HE . 19266 1 293 . . 1 26 26 LEU C C 13 178.426 0.021 . 1 . . . . 205 LEU C . 19266 1 294 . . 1 26 26 LEU CA C 13 57.684 0.319 . 1 . . . . 205 LEU CA . 19266 1 295 . . 1 26 26 LEU CB C 13 41.765 0.317 . 1 . . . . 205 LEU CB . 19266 1 296 . . 1 26 26 LEU CD1 C 13 24.756 0.068 . 1 . . . . 205 LEU CD1 . 19266 1 297 . . 1 26 26 LEU CG C 13 27.088 0.041 . 1 . . . . 205 LEU CG . 19266 1 298 . . 1 26 26 LEU H H 1 8.002 0.014 . 1 . . . . 205 LEU H . 19266 1 299 . . 1 26 26 LEU HA H 1 4.143 0.010 . 1 . . . . 205 LEU HA . 19266 1 300 . . 1 26 26 LEU HG H 1 1.817 0.008 . 1 . . . . 205 LEU HG . 19266 1 301 . . 1 26 26 LEU N N 15 120.968 0.103 . 1 . . . . 205 LEU N . 19266 1 302 . . 1 26 26 LEU HB2 H 1 1.805 0.005 . 2 . . . . 205 LEU HB . 19266 1 303 . . 1 26 26 LEU HB3 H 1 1.805 0.005 . 2 . . . . 205 LEU HB . 19266 1 304 . . 1 26 26 LEU HD11 H 1 0.906 0.012 . 2 . . . . 205 LEU HD . 19266 1 305 . . 1 26 26 LEU HD12 H 1 0.906 0.012 . 2 . . . . 205 LEU HD . 19266 1 306 . . 1 26 26 LEU HD13 H 1 0.906 0.012 . 2 . . . . 205 LEU HD . 19266 1 307 . . 1 26 26 LEU HD21 H 1 0.906 0.012 . 2 . . . . 205 LEU HD . 19266 1 308 . . 1 26 26 LEU HD22 H 1 0.906 0.012 . 2 . . . . 205 LEU HD . 19266 1 309 . . 1 26 26 LEU HD23 H 1 0.906 0.012 . 2 . . . . 205 LEU HD . 19266 1 310 . . 1 27 27 GLU C C 13 178.165 0.060 . 1 . . . . 206 GLU C . 19266 1 311 . . 1 27 27 GLU CA C 13 60.003 0.208 . 1 . . . . 206 GLU CA . 19266 1 312 . . 1 27 27 GLU CB C 13 28.634 0.369 . 1 . . . . 206 GLU CB . 19266 1 313 . . 1 27 27 GLU CG C 13 34.706 0.249 . 1 . . . . 206 GLU CG . 19266 1 314 . . 1 27 27 GLU H H 1 8.499 0.012 . 1 . . . . 206 GLU H . 19266 1 315 . . 1 27 27 GLU HA H 1 3.822 0.010 . 1 . . . . 206 GLU HA . 19266 1 316 . . 1 27 27 GLU HB2 H 1 2.212 0.011 . 2 . . . . 206 GLU HB2 . 19266 1 317 . . 1 27 27 GLU HB3 H 1 2.111 0.007 . 2 . . . . 206 GLU HB3 . 19266 1 318 . . 1 27 27 GLU HG2 H 1 2.553 0.022 . 2 . . . . 206 GLU HG2 . 19266 1 319 . . 1 27 27 GLU HG3 H 1 2.199 0.006 . 2 . . . . 206 GLU HG3 . 19266 1 320 . . 1 27 27 GLU N N 15 118.707 0.160 . 1 . . . . 206 GLU N . 19266 1 321 . . 1 28 28 ASN C C 13 177.590 0.005 . 1 . . . . 207 ASN C . 19266 1 322 . . 1 28 28 ASN CA C 13 55.969 0.208 . 1 . . . . 207 ASN CA . 19266 1 323 . . 1 28 28 ASN CB C 13 38.386 0.205 . 1 . . . . 207 ASN CB . 19266 1 324 . . 1 28 28 ASN H H 1 8.361 0.014 . 1 . . . . 207 ASN H . 19266 1 325 . . 1 28 28 ASN HA H 1 4.505 0.020 . 1 . . . . 207 ASN HA . 19266 1 326 . . 1 28 28 ASN HB2 H 1 2.940 0.004 . 2 . . . . 207 ASN HB2 . 19266 1 327 . . 1 28 28 ASN HB3 H 1 2.901 0.006 . 2 . . . . 207 ASN HB3 . 19266 1 328 . . 1 28 28 ASN HD21 H 1 7.655 0.012 . 2 . . . . 207 ASN HD21 . 19266 1 329 . . 1 28 28 ASN HD22 H 1 6.871 0.008 . 2 . . . . 207 ASN HD22 . 19266 1 330 . . 1 28 28 ASN N N 15 116.838 0.104 . 1 . . . . 207 ASN N . 19266 1 331 . . 1 28 28 ASN ND2 N 15 112.414 0.215 . 1 . . . . 207 ASN ND2 . 19266 1 332 . . 1 29 29 SER C C 13 175.599 0.104 . 1 . . . . 208 SER C . 19266 1 333 . . 1 29 29 SER CA C 13 62.212 0.153 . 1 . . . . 208 SER CA . 19266 1 334 . . 1 29 29 SER CB C 13 63.469 0.426 . 1 . . . . 208 SER CB . 19266 1 335 . . 1 29 29 SER H H 1 8.095 0.018 . 1 . . . . 208 SER H . 19266 1 336 . . 1 29 29 SER HA H 1 4.383 0.024 . 1 . . . . 208 SER HA . 19266 1 337 . . 1 29 29 SER HB2 H 1 4.039 0.021 . 2 . . . . 208 SER HB2 . 19266 1 338 . . 1 29 29 SER HB3 H 1 3.886 0.014 . 2 . . . . 208 SER HB3 . 19266 1 339 . . 1 29 29 SER N N 15 116.901 0.145 . 1 . . . . 208 SER N . 19266 1 340 . . 1 30 30 ILE C C 13 177.524 0.040 . 1 . . . . 209 ILE C . 19266 1 341 . . 1 30 30 ILE CA C 13 64.398 0.179 . 1 . . . . 209 ILE CA . 19266 1 342 . . 1 30 30 ILE CB C 13 37.161 0.392 . 1 . . . . 209 ILE CB . 19266 1 343 . . 1 30 30 ILE CD1 C 13 12.968 0.123 . 1 . . . . 209 ILE CD1 . 19266 1 344 . . 1 30 30 ILE CG1 C 13 29.034 0.104 . 1 . . . . 209 ILE CG1 . 19266 1 345 . . 1 30 30 ILE CG2 C 13 17.855 0.001 . 1 . . . . 209 ILE CG2 . 19266 1 346 . . 1 30 30 ILE H H 1 8.060 0.021 . 1 . . . . 209 ILE H . 19266 1 347 . . 1 30 30 ILE HA H 1 3.782 0.016 . 1 . . . . 209 ILE HA . 19266 1 348 . . 1 30 30 ILE HB H 1 2.015 0.005 . 1 . . . . 209 ILE HB . 19266 1 349 . . 1 30 30 ILE HG12 H 1 1.708 0.009 . 2 . . . . 209 ILE HG12 . 19266 1 350 . . 1 30 30 ILE HG13 H 1 1.212 0.011 . 2 . . . . 209 ILE HG13 . 19266 1 351 . . 1 30 30 ILE N N 15 120.945 0.151 . 1 . . . . 209 ILE N . 19266 1 352 . . 1 30 30 ILE HD11 H 1 0.810 0.008 . 1 . . . . 209 ILE HD1 . 19266 1 353 . . 1 30 30 ILE HD12 H 1 0.810 0.008 . 1 . . . . 209 ILE HD1 . 19266 1 354 . . 1 30 30 ILE HD13 H 1 0.810 0.008 . 1 . . . . 209 ILE HD1 . 19266 1 355 . . 1 30 30 ILE HG21 H 1 0.920 0.008 . 1 . . . . 209 ILE HG2 . 19266 1 356 . . 1 30 30 ILE HG22 H 1 0.920 0.008 . 1 . . . . 209 ILE HG2 . 19266 1 357 . . 1 30 30 ILE HG23 H 1 0.920 0.008 . 1 . . . . 209 ILE HG2 . 19266 1 358 . . 1 31 31 ARG C C 13 178.482 0.027 . 1 . . . . 210 ARG C . 19266 1 359 . . 1 31 31 ARG CA C 13 59.779 0.183 . 1 . . . . 210 ARG CA . 19266 1 360 . . 1 31 31 ARG CB C 13 29.646 0.281 . 1 . . . . 210 ARG CB . 19266 1 361 . . 1 31 31 ARG CD C 13 43.388 0.071 . 1 . . . . 210 ARG CD . 19266 1 362 . . 1 31 31 ARG CG C 13 27.693 0.098 . 1 . . . . 210 ARG CG . 19266 1 363 . . 1 31 31 ARG H H 1 8.074 0.020 . 1 . . . . 210 ARG H . 19266 1 364 . . 1 31 31 ARG HA H 1 3.996 0.009 . 1 . . . . 210 ARG HA . 19266 1 365 . . 1 31 31 ARG HB2 H 1 2.020 0.009 . 2 . . . . 210 ARG HB2 . 19266 1 366 . . 1 31 31 ARG HB3 H 1 1.964 0.003 . 2 . . . . 210 ARG HB3 . 19266 1 367 . . 1 31 31 ARG HE H 1 7.546 0.015 . 1 . . . . 210 ARG HE . 19266 1 368 . . 1 31 31 ARG HG2 H 1 1.779 0.008 . 2 . . . . 210 ARG HG2 . 19266 1 369 . . 1 31 31 ARG HG3 H 1 1.687 0.007 . 2 . . . . 210 ARG HG3 . 19266 1 370 . . 1 31 31 ARG N N 15 120.846 0.133 . 1 . . . . 210 ARG N . 19266 1 371 . . 1 31 31 ARG NE N 15 84.940 0.135 . 1 . . . . 210 ARG NE . 19266 1 372 . . 1 31 31 ARG HD2 H 1 3.244 0.007 . 2 . . . . 210 ARG HD . 19266 1 373 . . 1 31 31 ARG HD3 H 1 3.244 0.007 . 2 . . . . 210 ARG HD . 19266 1 374 . . 1 32 32 GLU C C 13 179.010 0.026 . 1 . . . . 211 GLU C . 19266 1 375 . . 1 32 32 GLU CA C 13 58.833 0.285 . 1 . . . . 211 GLU CA . 19266 1 376 . . 1 32 32 GLU CB C 13 28.961 0.320 . 1 . . . . 211 GLU CB . 19266 1 377 . . 1 32 32 GLU CG C 13 35.598 0.229 . 1 . . . . 211 GLU CG . 19266 1 378 . . 1 32 32 GLU H H 1 8.035 0.018 . 1 . . . . 211 GLU H . 19266 1 379 . . 1 32 32 GLU HA H 1 4.189 0.010 . 1 . . . . 211 GLU HA . 19266 1 380 . . 1 32 32 GLU HB2 H 1 2.210 0.010 . 2 . . . . 211 GLU HB2 . 19266 1 381 . . 1 32 32 GLU HB3 H 1 2.126 0.006 . 2 . . . . 211 GLU HB3 . 19266 1 382 . . 1 32 32 GLU HG2 H 1 2.496 0.011 . 2 . . . . 211 GLU HG2 . 19266 1 383 . . 1 32 32 GLU HG3 H 1 2.397 0.012 . 2 . . . . 211 GLU HG3 . 19266 1 384 . . 1 32 32 GLU N N 15 118.024 0.121 . 1 . . . . 211 GLU N . 19266 1 385 . . 1 33 33 LEU C C 13 177.894 0.016 . 1 . . . . 212 LEU C . 19266 1 386 . . 1 33 33 LEU CA C 13 57.187 0.208 . 1 . . . . 212 LEU CA . 19266 1 387 . . 1 33 33 LEU CB C 13 41.907 0.268 . 1 . . . . 212 LEU CB . 19266 1 388 . . 1 33 33 LEU CD1 C 13 25.204 0.146 . 1 . . . . 212 LEU CD1 . 19266 1 389 . . 1 33 33 LEU CD2 C 13 24.221 0.251 . 1 . . . . 212 LEU CD2 . 19266 1 390 . . 1 33 33 LEU CG C 13 27.125 0.100 . 1 . . . . 212 LEU CG . 19266 1 391 . . 1 33 33 LEU H H 1 8.082 0.016 . 1 . . . . 212 LEU H . 19266 1 392 . . 1 33 33 LEU HA H 1 4.195 0.012 . 1 . . . . 212 LEU HA . 19266 1 393 . . 1 33 33 LEU HB2 H 1 1.901 0.013 . 2 . . . . 212 LEU HB2 . 19266 1 394 . . 1 33 33 LEU HB3 H 1 1.594 0.006 . 2 . . . . 212 LEU HB3 . 19266 1 395 . . 1 33 33 LEU HG H 1 1.829 0.026 . 1 . . . . 212 LEU HG . 19266 1 396 . . 1 33 33 LEU N N 15 119.851 0.136 . 1 . . . . 212 LEU N . 19266 1 397 . . 1 33 33 LEU HD11 H 1 0.897 0.009 . 2 . . . . 212 LEU HD . 19266 1 398 . . 1 33 33 LEU HD12 H 1 0.897 0.009 . 2 . . . . 212 LEU HD . 19266 1 399 . . 1 33 33 LEU HD13 H 1 0.897 0.009 . 2 . . . . 212 LEU HD . 19266 1 400 . . 1 33 33 LEU HD21 H 1 0.897 0.009 . 2 . . . . 212 LEU HD . 19266 1 401 . . 1 33 33 LEU HD22 H 1 0.897 0.009 . 2 . . . . 212 LEU HD . 19266 1 402 . . 1 33 33 LEU HD23 H 1 0.897 0.009 . 2 . . . . 212 LEU HD . 19266 1 403 . . 1 34 34 HIS C C 13 176.235 0.045 . 1 . . . . 213 HIS C . 19266 1 404 . . 1 34 34 HIS CA C 13 60.076 0.225 . 1 . . . . 213 HIS CA . 19266 1 405 . . 1 34 34 HIS CB C 13 28.658 0.281 . 1 . . . . 213 HIS CB . 19266 1 406 . . 1 34 34 HIS CD2 C 13 120.031 0.163 . 1 . . . . 213 HIS CD2 . 19266 1 407 . . 1 34 34 HIS H H 1 8.393 0.019 . 1 . . . . 213 HIS H . 19266 1 408 . . 1 34 34 HIS HA H 1 4.072 0.005 . 1 . . . . 213 HIS HA . 19266 1 409 . . 1 34 34 HIS HB2 H 1 3.607 0.013 . 2 . . . . 213 HIS HB2 . 19266 1 410 . . 1 34 34 HIS HB3 H 1 3.278 0.010 . 2 . . . . 213 HIS HB3 . 19266 1 411 . . 1 34 34 HIS HD2 H 1 7.109 0.013 . 1 . . . . 213 HIS HD2 . 19266 1 412 . . 1 34 34 HIS N N 15 117.539 0.168 . 1 . . . . 213 HIS N . 19266 1 413 . . 1 35 35 ASP C C 13 177.999 0.076 . 1 . . . . 214 ASP C . 19266 1 414 . . 1 35 35 ASP CA C 13 57.348 0.193 . 1 . . . . 214 ASP CA . 19266 1 415 . . 1 35 35 ASP CB C 13 39.758 0.444 . 1 . . . . 214 ASP CB . 19266 1 416 . . 1 35 35 ASP H H 1 8.506 0.015 . 1 . . . . 214 ASP H . 19266 1 417 . . 1 35 35 ASP HA H 1 4.318 0.007 . 1 . . . . 214 ASP HA . 19266 1 418 . . 1 35 35 ASP N N 15 119.438 0.186 . 1 . . . . 214 ASP N . 19266 1 419 . . 1 35 35 ASP HB2 H 1 2.808 0.014 . 2 . . . . 214 ASP HB . 19266 1 420 . . 1 35 35 ASP HB3 H 1 2.808 0.014 . 2 . . . . 214 ASP HB . 19266 1 421 . . 1 36 36 MET C C 13 178.255 0.018 . 1 . . . . 215 MET C . 19266 1 422 . . 1 36 36 MET CA C 13 58.675 0.203 . 1 . . . . 215 MET CA . 19266 1 423 . . 1 36 36 MET CB C 13 32.770 0.212 . 1 . . . . 215 MET CB . 19266 1 424 . . 1 36 36 MET CE C 13 17.553 0.022 . 1 . . . . 215 MET CE . 19266 1 425 . . 1 36 36 MET CG C 13 32.403 0.140 . 1 . . . . 215 MET CG . 19266 1 426 . . 1 36 36 MET H H 1 8.097 0.017 . 1 . . . . 215 MET H . 19266 1 427 . . 1 36 36 MET HA H 1 4.229 0.006 . 1 . . . . 215 MET HA . 19266 1 428 . . 1 36 36 MET HB2 H 1 2.189 0.008 . 2 . . . . 215 MET HB2 . 19266 1 429 . . 1 36 36 MET HB3 H 1 2.054 0.010 . 2 . . . . 215 MET HB3 . 19266 1 430 . . 1 36 36 MET HG2 H 1 2.658 0.011 . 2 . . . . 215 MET HG2 . 19266 1 431 . . 1 36 36 MET HG3 H 1 2.468 0.011 . 2 . . . . 215 MET HG3 . 19266 1 432 . . 1 36 36 MET N N 15 119.774 0.130 . 1 . . . . 215 MET N . 19266 1 433 . . 1 36 36 MET HE1 H 1 1.944 0.002 . 1 . . . . 215 MET HE . 19266 1 434 . . 1 36 36 MET HE2 H 1 1.944 0.002 . 1 . . . . 215 MET HE . 19266 1 435 . . 1 36 36 MET HE3 H 1 1.944 0.002 . 1 . . . . 215 MET HE . 19266 1 436 . . 1 37 37 PHE C C 13 177.330 0.033 . 1 . . . . 216 PHE C . 19266 1 437 . . 1 37 37 PHE CA C 13 61.052 0.237 . 1 . . . . 216 PHE CA . 19266 1 438 . . 1 37 37 PHE CB C 13 38.761 0.222 . 1 . . . . 216 PHE CB . 19266 1 439 . . 1 37 37 PHE CD1 C 13 131.543 0.163 . 3 . . . . 216 PHE CD1 . 19266 1 440 . . 1 37 37 PHE CE1 C 13 131.109 0.163 . 3 . . . . 216 PHE CE1 . 19266 1 441 . . 1 37 37 PHE CZ C 13 130.613 0.163 . 1 . . . . 216 PHE CZ . 19266 1 442 . . 1 37 37 PHE H H 1 8.257 0.040 . 1 . . . . 216 PHE H . 19266 1 443 . . 1 37 37 PHE HA H 1 4.246 0.009 . 1 . . . . 216 PHE HA . 19266 1 444 . . 1 37 37 PHE HB2 H 1 3.140 0.004 . 2 . . . . 216 PHE HB2 . 19266 1 445 . . 1 37 37 PHE HB3 H 1 3.092 0.006 . 2 . . . . 216 PHE HB3 . 19266 1 446 . . 1 37 37 PHE HZ H 1 7.131 0.012 . 1 . . . . 216 PHE HZ . 19266 1 447 . . 1 37 37 PHE N N 15 118.344 0.134 . 1 . . . . 216 PHE N . 19266 1 448 . . 1 37 37 PHE HD1 H 1 7.148 0.007 . 3 . . . . 216 PHE HD . 19266 1 449 . . 1 37 37 PHE HD2 H 1 7.148 0.007 . 3 . . . . 216 PHE HD . 19266 1 450 . . 1 37 37 PHE HE1 H 1 7.141 0.004 . 3 . . . . 216 PHE HE . 19266 1 451 . . 1 37 37 PHE HE2 H 1 7.141 0.004 . 3 . . . . 216 PHE HE . 19266 1 452 . . 1 38 38 MET C C 13 178.469 0.019 . 1 . . . . 217 MET C . 19266 1 453 . . 1 38 38 MET CA C 13 57.564 0.384 . 1 . . . . 217 MET CA . 19266 1 454 . . 1 38 38 MET CB C 13 30.952 0.397 . 1 . . . . 217 MET CB . 19266 1 455 . . 1 38 38 MET CE C 13 17.358 0.012 . 1 . . . . 217 MET CE . 19266 1 456 . . 1 38 38 MET CG C 13 32.184 0.092 . 1 . . . . 217 MET CG . 19266 1 457 . . 1 38 38 MET H H 1 8.094 0.018 . 1 . . . . 217 MET H . 19266 1 458 . . 1 38 38 MET HA H 1 4.229 0.008 . 1 . . . . 217 MET HA . 19266 1 459 . . 1 38 38 MET HG2 H 1 2.584 0.006 . 2 . . . . 217 MET HG2 . 19266 1 460 . . 1 38 38 MET HG3 H 1 2.446 0.012 . 2 . . . . 217 MET HG3 . 19266 1 461 . . 1 38 38 MET N N 15 117.467 0.141 . 1 . . . . 217 MET N . 19266 1 462 . . 1 38 38 MET HB2 H 1 2.073 0.011 . 2 . . . . 217 MET HB . 19266 1 463 . . 1 38 38 MET HB3 H 1 2.073 0.011 . 2 . . . . 217 MET HB . 19266 1 464 . . 1 38 38 MET HE1 H 1 1.970 0.003 . 1 . . . . 217 MET HE . 19266 1 465 . . 1 38 38 MET HE2 H 1 1.970 0.003 . 1 . . . . 217 MET HE . 19266 1 466 . . 1 38 38 MET HE3 H 1 1.970 0.003 . 1 . . . . 217 MET HE . 19266 1 467 . . 1 39 39 ASP C C 13 178.501 0.024 . 1 . . . . 218 ASP C . 19266 1 468 . . 1 39 39 ASP CA C 13 56.393 0.213 . 1 . . . . 218 ASP CA . 19266 1 469 . . 1 39 39 ASP CB C 13 40.027 0.333 . 1 . . . . 218 ASP CB . 19266 1 470 . . 1 39 39 ASP H H 1 8.007 0.018 . 1 . . . . 218 ASP H . 19266 1 471 . . 1 39 39 ASP HA H 1 4.508 0.026 . 1 . . . . 218 ASP HA . 19266 1 472 . . 1 39 39 ASP HB2 H 1 2.853 0.015 . 2 . . . . 218 ASP HB2 . 19266 1 473 . . 1 39 39 ASP HB3 H 1 2.675 0.012 . 2 . . . . 218 ASP HB3 . 19266 1 474 . . 1 39 39 ASP N N 15 119.458 0.174 . 1 . . . . 218 ASP N . 19266 1 475 . . 1 40 40 MET C C 13 177.469 0.026 . 1 . . . . 219 MET C . 19266 1 476 . . 1 40 40 MET CA C 13 57.982 0.232 . 1 . . . . 219 MET CA . 19266 1 477 . . 1 40 40 MET CB C 13 32.437 0.440 . 1 . . . . 219 MET CB . 19266 1 478 . . 1 40 40 MET CG C 13 32.646 0.108 . 1 . . . . 219 MET CG . 19266 1 479 . . 1 40 40 MET H H 1 8.013 0.016 . 1 . . . . 219 MET H . 19266 1 480 . . 1 40 40 MET HA H 1 4.185 0.005 . 1 . . . . 219 MET HA . 19266 1 481 . . 1 40 40 MET HB2 H 1 2.187 0.007 . 2 . . . . 219 MET HB2 . 19266 1 482 . . 1 40 40 MET HB3 H 1 2.040 0.009 . 2 . . . . 219 MET HB3 . 19266 1 483 . . 1 40 40 MET HG2 H 1 2.648 0.017 . 2 . . . . 219 MET HG2 . 19266 1 484 . . 1 40 40 MET HG3 H 1 2.516 0.015 . 2 . . . . 219 MET HG3 . 19266 1 485 . . 1 40 40 MET N N 15 119.113 0.149 . 1 . . . . 219 MET N . 19266 1 486 . . 1 41 41 ALA C C 13 179.099 0.030 . 1 . . . . 220 ALA C . 19266 1 487 . . 1 41 41 ALA CA C 13 55.165 0.239 . 1 . . . . 220 ALA CA . 19266 1 488 . . 1 41 41 ALA CB C 13 18.042 0.267 . 1 . . . . 220 ALA CB . 19266 1 489 . . 1 41 41 ALA H H 1 8.349 0.013 . 1 . . . . 220 ALA H . 19266 1 490 . . 1 41 41 ALA HA H 1 3.911 0.019 . 1 . . . . 220 ALA HA . 19266 1 491 . . 1 41 41 ALA N N 15 121.361 0.130 . 1 . . . . 220 ALA N . 19266 1 492 . . 1 41 41 ALA HB1 H 1 1.375 0.006 . 1 . . . . 220 ALA HB . 19266 1 493 . . 1 41 41 ALA HB2 H 1 1.375 0.006 . 1 . . . . 220 ALA HB . 19266 1 494 . . 1 41 41 ALA HB3 H 1 1.375 0.006 . 1 . . . . 220 ALA HB . 19266 1 495 . . 1 42 42 MET C C 13 178.381 0.037 . 1 . . . . 221 MET C . 19266 1 496 . . 1 42 42 MET CA C 13 57.652 0.239 . 1 . . . . 221 MET CA . 19266 1 497 . . 1 42 42 MET CB C 13 32.256 0.296 . 1 . . . . 221 MET CB . 19266 1 498 . . 1 42 42 MET CG C 13 32.369 0.104 . 1 . . . . 221 MET CG . 19266 1 499 . . 1 42 42 MET H H 1 7.872 0.014 . 1 . . . . 221 MET H . 19266 1 500 . . 1 42 42 MET HA H 1 4.245 0.011 . 1 . . . . 221 MET HA . 19266 1 501 . . 1 42 42 MET HB2 H 1 2.200 0.003 . 2 . . . . 221 MET HB2 . 19266 1 502 . . 1 42 42 MET HB3 H 1 2.146 0.005 . 2 . . . . 221 MET HB3 . 19266 1 503 . . 1 42 42 MET HG2 H 1 2.764 0.007 . 2 . . . . 221 MET HG2 . 19266 1 504 . . 1 42 42 MET HG3 H 1 2.644 0.007 . 2 . . . . 221 MET HG3 . 19266 1 505 . . 1 42 42 MET N N 15 114.957 0.112 . 1 . . . . 221 MET N . 19266 1 506 . . 1 43 43 LEU C C 13 178.808 0.020 . 1 . . . . 222 LEU C . 19266 1 507 . . 1 43 43 LEU CA C 13 57.339 0.249 . 1 . . . . 222 LEU CA . 19266 1 508 . . 1 43 43 LEU CB C 13 42.080 0.267 . 1 . . . . 222 LEU CB . 19266 1 509 . . 1 43 43 LEU CD1 C 13 24.964 0.112 . 1 . . . . 222 LEU CD1 . 19266 1 510 . . 1 43 43 LEU CD2 C 13 24.238 0.070 . 1 . . . . 222 LEU CD2 . 19266 1 511 . . 1 43 43 LEU CG C 13 27.147 0.044 . 1 . . . . 222 LEU CG . 19266 1 512 . . 1 43 43 LEU H H 1 7.777 0.020 . 1 . . . . 222 LEU H . 19266 1 513 . . 1 43 43 LEU HA H 1 4.198 0.012 . 1 . . . . 222 LEU HA . 19266 1 514 . . 1 43 43 LEU HB2 H 1 1.881 0.008 . 2 . . . . 222 LEU HB2 . 19266 1 515 . . 1 43 43 LEU HB3 H 1 1.732 0.007 . 2 . . . . 222 LEU HB3 . 19266 1 516 . . 1 43 43 LEU HG H 1 1.723 0.007 . 1 . . . . 222 LEU HG . 19266 1 517 . . 1 43 43 LEU N N 15 120.635 0.098 . 1 . . . . 222 LEU N . 19266 1 518 . . 1 43 43 LEU HD11 H 1 0.921 0.006 . 2 . . . . 222 LEU HD1 . 19266 1 519 . . 1 43 43 LEU HD12 H 1 0.921 0.006 . 2 . . . . 222 LEU HD1 . 19266 1 520 . . 1 43 43 LEU HD13 H 1 0.921 0.006 . 2 . . . . 222 LEU HD1 . 19266 1 521 . . 1 43 43 LEU HD21 H 1 0.884 0.007 . 2 . . . . 222 LEU HD2 . 19266 1 522 . . 1 43 43 LEU HD22 H 1 0.884 0.007 . 2 . . . . 222 LEU HD2 . 19266 1 523 . . 1 43 43 LEU HD23 H 1 0.884 0.007 . 2 . . . . 222 LEU HD2 . 19266 1 524 . . 1 44 44 VAL C C 13 177.088 0.061 . 1 . . . . 223 VAL C . 19266 1 525 . . 1 44 44 VAL CA C 13 64.764 0.223 . 1 . . . . 223 VAL CA . 19266 1 526 . . 1 44 44 VAL CB C 13 31.934 0.241 . 1 . . . . 223 VAL CB . 19266 1 527 . . 1 44 44 VAL CG1 C 13 22.189 0.100 . 2 . . . . 223 VAL CG1 . 19266 1 528 . . 1 44 44 VAL CG2 C 13 21.686 0.107 . 2 . . . . 223 VAL CG2 . 19266 1 529 . . 1 44 44 VAL H H 1 7.858 0.033 . 1 . . . . 223 VAL H . 19266 1 530 . . 1 44 44 VAL HA H 1 3.782 0.010 . 1 . . . . 223 VAL HA . 19266 1 531 . . 1 44 44 VAL HB H 1 2.197 0.004 . 1 . . . . 223 VAL HB . 19266 1 532 . . 1 44 44 VAL N N 15 116.988 0.156 . 1 . . . . 223 VAL N . 19266 1 533 . . 1 44 44 VAL HG11 H 1 1.004 0.010 . 2 . . . . 223 VAL HG1 . 19266 1 534 . . 1 44 44 VAL HG12 H 1 1.004 0.010 . 2 . . . . 223 VAL HG1 . 19266 1 535 . . 1 44 44 VAL HG13 H 1 1.004 0.010 . 2 . . . . 223 VAL HG1 . 19266 1 536 . . 1 44 44 VAL HG21 H 1 0.929 0.006 . 2 . . . . 223 VAL HG2 . 19266 1 537 . . 1 44 44 VAL HG22 H 1 0.929 0.006 . 2 . . . . 223 VAL HG2 . 19266 1 538 . . 1 44 44 VAL HG23 H 1 0.929 0.006 . 2 . . . . 223 VAL HG2 . 19266 1 539 . . 1 45 45 GLU C C 13 177.274 0.006 . 1 . . . . 224 GLU C . 19266 1 540 . . 1 45 45 GLU CA C 13 57.739 0.192 . 1 . . . . 224 GLU CA . 19266 1 541 . . 1 45 45 GLU CB C 13 28.961 0.409 . 1 . . . . 224 GLU CB . 19266 1 542 . . 1 45 45 GLU CG C 13 35.287 0.232 . 1 . . . . 224 GLU CG . 19266 1 543 . . 1 45 45 GLU H H 1 8.081 0.018 . 1 . . . . 224 GLU H . 19266 1 544 . . 1 45 45 GLU HA H 1 4.133 0.012 . 1 . . . . 224 GLU HA . 19266 1 545 . . 1 45 45 GLU HG2 H 1 2.454 0.026 . 2 . . . . 224 GLU HG2 . 19266 1 546 . . 1 45 45 GLU HG3 H 1 2.336 0.014 . 2 . . . . 224 GLU HG3 . 19266 1 547 . . 1 45 45 GLU N N 15 118.582 0.204 . 1 . . . . 224 GLU N . 19266 1 548 . . 1 45 45 GLU HB2 H 1 2.121 0.008 . 2 . . . . 224 GLU HB . 19266 1 549 . . 1 45 45 GLU HB3 H 1 2.121 0.008 . 2 . . . . 224 GLU HB . 19266 1 550 . . 1 46 46 SER C C 13 174.990 0.045 . 1 . . . . 225 SER C . 19266 1 551 . . 1 46 46 SER CA C 13 59.224 0.128 . 1 . . . . 225 SER CA . 19266 1 552 . . 1 46 46 SER CB C 13 63.845 0.312 . 1 . . . . 225 SER CB . 19266 1 553 . . 1 46 46 SER H H 1 7.871 0.033 . 1 . . . . 225 SER H . 19266 1 554 . . 1 46 46 SER HA H 1 4.498 0.037 . 1 . . . . 225 SER HA . 19266 1 555 . . 1 46 46 SER N N 15 113.004 0.115 . 1 . . . . 225 SER N . 19266 1 556 . . 1 46 46 SER HB2 H 1 4.028 0.011 . 2 . . . . 225 SER HB . 19266 1 557 . . 1 46 46 SER HB3 H 1 4.028 0.011 . 2 . . . . 225 SER HB . 19266 1 558 . . 1 47 47 GLN C C 13 176.567 0.053 . 1 . . . . 226 GLN C . 19266 1 559 . . 1 47 47 GLN CA C 13 55.489 0.277 . 1 . . . . 226 GLN CA . 19266 1 560 . . 1 47 47 GLN CB C 13 28.198 0.540 . 1 . . . . 226 GLN CB . 19266 1 561 . . 1 47 47 GLN CG C 13 33.492 0.179 . 1 . . . . 226 GLN CG . 19266 1 562 . . 1 47 47 GLN H H 1 8.023 0.024 . 1 . . . . 226 GLN H . 19266 1 563 . . 1 47 47 GLN HA H 1 4.487 0.009 . 1 . . . . 226 GLN HA . 19266 1 564 . . 1 47 47 GLN HB2 H 1 2.220 0.007 . 2 . . . . 226 GLN HB2 . 19266 1 565 . . 1 47 47 GLN HB3 H 1 2.109 0.008 . 2 . . . . 226 GLN HB3 . 19266 1 566 . . 1 47 47 GLN HE21 H 1 7.311 0.007 . 2 . . . . 226 GLN HE21 . 19266 1 567 . . 1 47 47 GLN HE22 H 1 6.720 0.006 . 2 . . . . 226 GLN HE22 . 19266 1 568 . . 1 47 47 GLN HG2 H 1 2.461 0.008 . 2 . . . . 226 GLN HG2 . 19266 1 569 . . 1 47 47 GLN HG3 H 1 2.304 0.014 . 2 . . . . 226 GLN HG3 . 19266 1 570 . . 1 47 47 GLN N N 15 121.028 0.147 . 1 . . . . 226 GLN N . 19266 1 571 . . 1 47 47 GLN NE2 N 15 111.033 0.217 . 1 . . . . 226 GLN NE2 . 19266 1 572 . . 1 48 48 GLY C C 13 175.181 0.028 . 1 . . . . 227 GLY C . 19266 1 573 . . 1 48 48 GLY CA C 13 47.163 0.204 . 1 . . . . 227 GLY CA . 19266 1 574 . . 1 48 48 GLY H H 1 8.227 0.027 . 1 . . . . 227 GLY H . 19266 1 575 . . 1 48 48 GLY HA2 H 1 4.027 0.035 . 2 . . . . 227 GLY HA2 . 19266 1 576 . . 1 48 48 GLY HA3 H 1 3.796 0.009 . 2 . . . . 227 GLY HA3 . 19266 1 577 . . 1 48 48 GLY N N 15 108.578 0.124 . 1 . . . . 227 GLY N . 19266 1 578 . . 1 49 49 GLU C C 13 178.110 0.069 . 1 . . . . 228 GLU C . 19266 1 579 . . 1 49 49 GLU CA C 13 58.371 0.264 . 1 . . . . 228 GLU CA . 19266 1 580 . . 1 49 49 GLU CB C 13 29.022 0.304 . 1 . . . . 228 GLU CB . 19266 1 581 . . 1 49 49 GLU CG C 13 35.995 0.113 . 1 . . . . 228 GLU CG . 19266 1 582 . . 1 49 49 GLU H H 1 8.439 0.014 . 1 . . . . 228 GLU H . 19266 1 583 . . 1 49 49 GLU HA H 1 4.240 0.009 . 1 . . . . 228 GLU HA . 19266 1 584 . . 1 49 49 GLU HG2 H 1 2.362 0.004 . 2 . . . . 228 GLU HG2 . 19266 1 585 . . 1 49 49 GLU HG3 H 1 2.310 0.007 . 2 . . . . 228 GLU HG3 . 19266 1 586 . . 1 49 49 GLU N N 15 120.335 0.113 . 1 . . . . 228 GLU N . 19266 1 587 . . 1 49 49 GLU HB2 H 1 2.088 0.009 . 2 . . . . 228 GLU HB . 19266 1 588 . . 1 49 49 GLU HB3 H 1 2.088 0.009 . 2 . . . . 228 GLU HB . 19266 1 589 . . 1 50 50 MET C C 13 177.966 0.075 . 1 . . . . 229 MET C . 19266 1 590 . . 1 50 50 MET CA C 13 57.836 0.207 . 1 . . . . 229 MET CA . 19266 1 591 . . 1 50 50 MET CB C 13 32.542 0.293 . 1 . . . . 229 MET CB . 19266 1 592 . . 1 50 50 MET CG C 13 32.481 0.059 . 1 . . . . 229 MET CG . 19266 1 593 . . 1 50 50 MET H H 1 8.063 0.017 . 1 . . . . 229 MET H . 19266 1 594 . . 1 50 50 MET HA H 1 4.264 0.021 . 1 . . . . 229 MET HA . 19266 1 595 . . 1 50 50 MET HB2 H 1 2.247 0.004 . 2 . . . . 229 MET HB2 . 19266 1 596 . . 1 50 50 MET HB3 H 1 2.127 0.005 . 2 . . . . 229 MET HB3 . 19266 1 597 . . 1 50 50 MET HG2 H 1 2.632 0.006 . 2 . . . . 229 MET HG2 . 19266 1 598 . . 1 50 50 MET HG3 H 1 2.553 0.008 . 2 . . . . 229 MET HG3 . 19266 1 599 . . 1 50 50 MET N N 15 118.999 0.142 . 1 . . . . 229 MET N . 19266 1 600 . . 1 51 51 ILE C C 13 177.199 0.037 . 1 . . . . 230 ILE C . 19266 1 601 . . 1 51 51 ILE CA C 13 64.318 0.259 . 1 . . . . 230 ILE CA . 19266 1 602 . . 1 51 51 ILE CB C 13 36.634 0.485 . 1 . . . . 230 ILE CB . 19266 1 603 . . 1 51 51 ILE CG1 C 13 28.997 0.082 . 1 . . . . 230 ILE CG1 . 19266 1 604 . . 1 51 51 ILE CG2 C 13 17.797 0.067 . 1 . . . . 230 ILE CG2 . 19266 1 605 . . 1 51 51 ILE H H 1 8.094 0.021 . 1 . . . . 230 ILE H . 19266 1 606 . . 1 51 51 ILE HA H 1 3.724 0.019 . 1 . . . . 230 ILE HA . 19266 1 607 . . 1 51 51 ILE HB H 1 2.025 0.011 . 1 . . . . 230 ILE HB . 19266 1 608 . . 1 51 51 ILE HG12 H 1 1.658 0.011 . 2 . . . . 230 ILE HG12 . 19266 1 609 . . 1 51 51 ILE HG13 H 1 1.221 0.006 . 2 . . . . 230 ILE HG13 . 19266 1 610 . . 1 51 51 ILE N N 15 118.926 0.137 . 1 . . . . 230 ILE N . 19266 1 611 . . 1 51 51 ILE HD11 H 1 0.857 0.007 . 1 . . . . 230 ILE HD1 . 19266 1 612 . . 1 51 51 ILE HD12 H 1 0.857 0.007 . 1 . . . . 230 ILE HD1 . 19266 1 613 . . 1 51 51 ILE HD13 H 1 0.857 0.007 . 1 . . . . 230 ILE HD1 . 19266 1 614 . . 1 51 51 ILE HG21 H 1 0.932 0.006 . 1 . . . . 230 ILE HG2 . 19266 1 615 . . 1 51 51 ILE HG22 H 1 0.932 0.006 . 1 . . . . 230 ILE HG2 . 19266 1 616 . . 1 51 51 ILE HG23 H 1 0.932 0.006 . 1 . . . . 230 ILE HG2 . 19266 1 617 . . 1 52 52 ASP C C 13 178.376 0.055 . 1 . . . . 231 ASP C . 19266 1 618 . . 1 52 52 ASP CA C 13 57.251 0.190 . 1 . . . . 231 ASP CA . 19266 1 619 . . 1 52 52 ASP CB C 13 40.576 0.252 . 1 . . . . 231 ASP CB . 19266 1 620 . . 1 52 52 ASP H H 1 8.017 0.018 . 1 . . . . 231 ASP H . 19266 1 621 . . 1 52 52 ASP HA H 1 4.402 0.043 . 1 . . . . 231 ASP HA . 19266 1 622 . . 1 52 52 ASP HB2 H 1 2.795 0.009 . 2 . . . . 231 ASP HB2 . 19266 1 623 . . 1 52 52 ASP HB3 H 1 2.685 0.011 . 2 . . . . 231 ASP HB3 . 19266 1 624 . . 1 52 52 ASP N N 15 120.142 0.145 . 1 . . . . 231 ASP N . 19266 1 625 . . 1 53 53 ARG C C 13 179.319 0.018 . 1 . . . . 232 ARG C . 19266 1 626 . . 1 53 53 ARG CA C 13 58.325 0.269 . 1 . . . . 232 ARG CA . 19266 1 627 . . 1 53 53 ARG CB C 13 29.957 0.420 . 1 . . . . 232 ARG CB . 19266 1 628 . . 1 53 53 ARG CD C 13 43.500 0.043 . 1 . . . . 232 ARG CD . 19266 1 629 . . 1 53 53 ARG CG C 13 27.126 0.151 . 1 . . . . 232 ARG CG . 19266 1 630 . . 1 53 53 ARG H H 1 7.867 0.016 . 1 . . . . 232 ARG H . 19266 1 631 . . 1 53 53 ARG HA H 1 4.182 0.014 . 1 . . . . 232 ARG HA . 19266 1 632 . . 1 53 53 ARG HE H 1 7.572 0.004 . 1 . . . . 232 ARG HE . 19266 1 633 . . 1 53 53 ARG HG2 H 1 1.831 0.010 . 2 . . . . 232 ARG HG2 . 19266 1 634 . . 1 53 53 ARG HG3 H 1 1.700 0.008 . 2 . . . . 232 ARG HG3 . 19266 1 635 . . 1 53 53 ARG N N 15 118.772 0.117 . 1 . . . . 232 ARG N . 19266 1 636 . . 1 53 53 ARG NE N 15 84.513 0.125 . 1 . . . . 232 ARG NE . 19266 1 637 . . 1 53 53 ARG HB2 H 1 1.992 0.009 . 2 . . . . 232 ARG HB . 19266 1 638 . . 1 53 53 ARG HB3 H 1 1.992 0.009 . 2 . . . . 232 ARG HB . 19266 1 639 . . 1 53 53 ARG HD2 H 1 3.199 0.006 . 2 . . . . 232 ARG HD . 19266 1 640 . . 1 53 53 ARG HD3 H 1 3.199 0.006 . 2 . . . . 232 ARG HD . 19266 1 641 . . 1 54 54 ILE C C 13 177.345 0.072 . 1 . . . . 233 ILE C . 19266 1 642 . . 1 54 54 ILE CA C 13 65.316 0.229 . 1 . . . . 233 ILE CA . 19266 1 643 . . 1 54 54 ILE CB C 13 36.915 0.163 . 1 . . . . 233 ILE CB . 19266 1 644 . . 1 54 54 ILE CG1 C 13 29.434 0.074 . 1 . . . . 233 ILE CG1 . 19266 1 645 . . 1 54 54 ILE H H 1 8.350 0.031 . 1 . . . . 233 ILE H . 19266 1 646 . . 1 54 54 ILE HA H 1 3.782 0.031 . 1 . . . . 233 ILE HA . 19266 1 647 . . 1 54 54 ILE HB H 1 2.076 0.058 . 1 . . . . 233 ILE HB . 19266 1 648 . . 1 54 54 ILE HG12 H 1 1.885 0.008 . 2 . . . . 233 ILE HG12 . 19266 1 649 . . 1 54 54 ILE HG13 H 1 1.017 0.012 . 2 . . . . 233 ILE HG13 . 19266 1 650 . . 1 54 54 ILE N N 15 121.049 0.191 . 1 . . . . 233 ILE N . 19266 1 651 . . 1 54 54 ILE HD11 H 1 0.898 0.025 . 1 . . . . 233 ILE HD1 . 19266 1 652 . . 1 54 54 ILE HD12 H 1 0.898 0.025 . 1 . . . . 233 ILE HD1 . 19266 1 653 . . 1 54 54 ILE HD13 H 1 0.898 0.025 . 1 . . . . 233 ILE HD1 . 19266 1 654 . . 1 54 54 ILE HG21 H 1 0.895 0.012 . 1 . . . . 233 ILE HG2 . 19266 1 655 . . 1 54 54 ILE HG22 H 1 0.895 0.012 . 1 . . . . 233 ILE HG2 . 19266 1 656 . . 1 54 54 ILE HG23 H 1 0.895 0.012 . 1 . . . . 233 ILE HG2 . 19266 1 657 . . 1 55 55 GLU C C 13 177.650 0.053 . 1 . . . . 234 GLU C . 19266 1 658 . . 1 55 55 GLU CA C 13 59.954 0.232 . 1 . . . . 234 GLU CA . 19266 1 659 . . 1 55 55 GLU CB C 13 28.443 0.485 . 1 . . . . 234 GLU CB . 19266 1 660 . . 1 55 55 GLU CG C 13 34.607 0.144 . 1 . . . . 234 GLU CG . 19266 1 661 . . 1 55 55 GLU H H 1 8.631 0.018 . 1 . . . . 234 GLU H . 19266 1 662 . . 1 55 55 GLU HA H 1 3.838 0.018 . 1 . . . . 234 GLU HA . 19266 1 663 . . 1 55 55 GLU HB2 H 1 2.205 0.013 . 2 . . . . 234 GLU HB2 . 19266 1 664 . . 1 55 55 GLU HB3 H 1 2.121 0.024 . 2 . . . . 234 GLU HB3 . 19266 1 665 . . 1 55 55 GLU HG2 H 1 2.565 0.012 . 2 . . . . 234 GLU HG2 . 19266 1 666 . . 1 55 55 GLU HG3 H 1 2.211 0.006 . 2 . . . . 234 GLU HG3 . 19266 1 667 . . 1 55 55 GLU N N 15 119.447 0.343 . 1 . . . . 234 GLU N . 19266 1 668 . . 1 56 56 TYR C C 13 177.696 0.019 . 1 . . . . 235 TYR C . 19266 1 669 . . 1 56 56 TYR CA C 13 60.773 0.254 . 1 . . . . 235 TYR CA . 19266 1 670 . . 1 56 56 TYR CB C 13 38.560 0.380 . 1 . . . . 235 TYR CB . 19266 1 671 . . 1 56 56 TYR CD1 C 13 133.248 0.163 . 3 . . . . 235 TYR CD1 . 19266 1 672 . . 1 56 56 TYR CE1 C 13 118.079 0.079 . 3 . . . . 235 TYR CE1 . 19266 1 673 . . 1 56 56 TYR H H 1 8.256 0.021 . 1 . . . . 235 TYR H . 19266 1 674 . . 1 56 56 TYR HA H 1 4.268 0.024 . 1 . . . . 235 TYR HA . 19266 1 675 . . 1 56 56 TYR HB2 H 1 3.218 0.010 . 2 . . . . 235 TYR HB2 . 19266 1 676 . . 1 56 56 TYR HB3 H 1 3.083 0.011 . 2 . . . . 235 TYR HB3 . 19266 1 677 . . 1 56 56 TYR N N 15 118.498 0.164 . 1 . . . . 235 TYR N . 19266 1 678 . . 1 56 56 TYR HD1 H 1 7.084 0.010 . 3 . . . . 235 TYR HD . 19266 1 679 . . 1 56 56 TYR HD2 H 1 7.084 0.010 . 3 . . . . 235 TYR HD . 19266 1 680 . . 1 56 56 TYR HE1 H 1 6.747 0.016 . 3 . . . . 235 TYR HE . 19266 1 681 . . 1 56 56 TYR HE2 H 1 6.747 0.016 . 3 . . . . 235 TYR HE . 19266 1 682 . . 1 57 57 ASN C C 13 177.240 0.003 . 1 . . . . 236 ASN C . 19266 1 683 . . 1 57 57 ASN CA C 13 56.520 0.232 . 1 . . . . 236 ASN CA . 19266 1 684 . . 1 57 57 ASN CB C 13 39.307 0.335 . 1 . . . . 236 ASN CB . 19266 1 685 . . 1 57 57 ASN H H 1 8.006 0.017 . 1 . . . . 236 ASN H . 19266 1 686 . . 1 57 57 ASN HA H 1 4.470 0.017 . 1 . . . . 236 ASN HA . 19266 1 687 . . 1 57 57 ASN HB2 H 1 3.075 0.009 . 2 . . . . 236 ASN HB2 . 19266 1 688 . . 1 57 57 ASN HB3 H 1 2.886 0.007 . 2 . . . . 236 ASN HB3 . 19266 1 689 . . 1 57 57 ASN HD21 H 1 7.504 0.016 . 2 . . . . 236 ASN HD21 . 19266 1 690 . . 1 57 57 ASN HD22 H 1 6.824 0.025 . 2 . . . . 236 ASN HD22 . 19266 1 691 . . 1 57 57 ASN N N 15 117.951 0.141 . 1 . . . . 236 ASN N . 19266 1 692 . . 1 57 57 ASN ND2 N 15 112.357 0.370 . 1 . . . . 236 ASN ND2 . 19266 1 693 . . 1 58 58 VAL C C 13 177.249 0.029 . 1 . . . . 237 VAL C . 19266 1 694 . . 1 58 58 VAL CA C 13 66.947 0.248 . 1 . . . . 237 VAL CA . 19266 1 695 . . 1 58 58 VAL CB C 13 31.552 0.353 . 1 . . . . 237 VAL CB . 19266 1 696 . . 1 58 58 VAL CG1 C 13 23.203 0.050 . 2 . . . . 237 VAL CG1 . 19266 1 697 . . 1 58 58 VAL CG2 C 13 21.722 0.093 . 2 . . . . 237 VAL CG2 . 19266 1 698 . . 1 58 58 VAL H H 1 8.610 0.012 . 1 . . . . 237 VAL H . 19266 1 699 . . 1 58 58 VAL HA H 1 3.644 0.019 . 1 . . . . 237 VAL HA . 19266 1 700 . . 1 58 58 VAL HB H 1 2.205 0.004 . 1 . . . . 237 VAL HB . 19266 1 701 . . 1 58 58 VAL N N 15 120.125 0.115 . 1 . . . . 237 VAL N . 19266 1 702 . . 1 58 58 VAL HG11 H 1 1.037 0.007 . 2 . . . . 237 VAL HG1 . 19266 1 703 . . 1 58 58 VAL HG12 H 1 1.037 0.007 . 2 . . . . 237 VAL HG1 . 19266 1 704 . . 1 58 58 VAL HG13 H 1 1.037 0.007 . 2 . . . . 237 VAL HG1 . 19266 1 705 . . 1 58 58 VAL HG21 H 1 0.930 0.006 . 2 . . . . 237 VAL HG2 . 19266 1 706 . . 1 58 58 VAL HG22 H 1 0.930 0.006 . 2 . . . . 237 VAL HG2 . 19266 1 707 . . 1 58 58 VAL HG23 H 1 0.930 0.006 . 2 . . . . 237 VAL HG2 . 19266 1 708 . . 1 59 59 GLU C C 13 178.608 0.034 . 1 . . . . 238 GLU C . 19266 1 709 . . 1 59 59 GLU CA C 13 59.901 0.292 . 1 . . . . 238 GLU CA . 19266 1 710 . . 1 59 59 GLU CB C 13 28.611 0.350 . 1 . . . . 238 GLU CB . 19266 1 711 . . 1 59 59 GLU CG C 13 35.674 0.256 . 1 . . . . 238 GLU CG . 19266 1 712 . . 1 59 59 GLU H H 1 8.418 0.014 . 1 . . . . 238 GLU H . 19266 1 713 . . 1 59 59 GLU HA H 1 3.847 0.010 . 1 . . . . 238 GLU HA . 19266 1 714 . . 1 59 59 GLU HB2 H 1 2.191 0.038 . 2 . . . . 238 GLU HB2 . 19266 1 715 . . 1 59 59 GLU HB3 H 1 2.092 0.019 . 2 . . . . 238 GLU HB3 . 19266 1 716 . . 1 59 59 GLU HG2 H 1 2.377 0.025 . 2 . . . . 238 GLU HG2 . 19266 1 717 . . 1 59 59 GLU HG3 H 1 2.186 0.025 . 2 . . . . 238 GLU HG3 . 19266 1 718 . . 1 59 59 GLU N N 15 118.970 0.200 . 1 . . . . 238 GLU N . 19266 1 719 . . 1 60 60 HIS C C 13 176.835 0.019 . 1 . . . . 239 HIS C . 19266 1 720 . . 1 60 60 HIS CA C 13 58.269 0.246 . 1 . . . . 239 HIS CA . 19266 1 721 . . 1 60 60 HIS CB C 13 28.448 0.275 . 1 . . . . 239 HIS CB . 19266 1 722 . . 1 60 60 HIS CD2 C 13 119.908 0.148 . 1 . . . . 239 HIS CD2 . 19266 1 723 . . 1 60 60 HIS H H 1 7.990 0.017 . 1 . . . . 239 HIS H . 19266 1 724 . . 1 60 60 HIS HA H 1 4.426 0.010 . 1 . . . . 239 HIS HA . 19266 1 725 . . 1 60 60 HIS HB2 H 1 3.235 0.009 . 2 . . . . 239 HIS HB2 . 19266 1 726 . . 1 60 60 HIS HB3 H 1 3.082 0.006 . 2 . . . . 239 HIS HB3 . 19266 1 727 . . 1 60 60 HIS HD2 H 1 7.094 0.004 . 1 . . . . 239 HIS HD2 . 19266 1 728 . . 1 60 60 HIS N N 15 115.486 0.156 . 1 . . . . 239 HIS N . 19266 1 729 . . 1 61 61 ALA C C 13 178.613 0.040 . 1 . . . . 240 ALA C . 19266 1 730 . . 1 61 61 ALA CA C 13 55.386 0.182 . 1 . . . . 240 ALA CA . 19266 1 731 . . 1 61 61 ALA CB C 13 18.592 0.195 . 1 . . . . 240 ALA CB . 19266 1 732 . . 1 61 61 ALA H H 1 8.147 0.022 . 1 . . . . 240 ALA H . 19266 1 733 . . 1 61 61 ALA HA H 1 4.162 0.006 . 1 . . . . 240 ALA HA . 19266 1 734 . . 1 61 61 ALA N N 15 123.105 0.111 . 1 . . . . 240 ALA N . 19266 1 735 . . 1 61 61 ALA HB1 H 1 1.563 0.006 . 1 . . . . 240 ALA HB . 19266 1 736 . . 1 61 61 ALA HB2 H 1 1.563 0.006 . 1 . . . . 240 ALA HB . 19266 1 737 . . 1 61 61 ALA HB3 H 1 1.563 0.006 . 1 . . . . 240 ALA HB . 19266 1 738 . . 1 62 62 VAL C C 13 177.530 0.099 . 1 . . . . 241 VAL C . 19266 1 739 . . 1 62 62 VAL CA C 13 66.823 0.174 . 1 . . . . 241 VAL CA . 19266 1 740 . . 1 62 62 VAL CB C 13 31.286 0.434 . 1 . . . . 241 VAL CB . 19266 1 741 . . 1 62 62 VAL CG1 C 13 23.269 0.051 . 2 . . . . 241 VAL CG1 . 19266 1 742 . . 1 62 62 VAL CG2 C 13 22.982 0.122 . 2 . . . . 241 VAL CG2 . 19266 1 743 . . 1 62 62 VAL H H 1 8.273 0.016 . 1 . . . . 241 VAL H . 19266 1 744 . . 1 62 62 VAL HA H 1 3.505 0.009 . 1 . . . . 241 VAL HA . 19266 1 745 . . 1 62 62 VAL HB H 1 2.229 0.008 . 1 . . . . 241 VAL HB . 19266 1 746 . . 1 62 62 VAL N N 15 117.142 0.127 . 1 . . . . 241 VAL N . 19266 1 747 . . 1 62 62 VAL HG11 H 1 1.035 0.026 . 2 . . . . 241 VAL HG1 . 19266 1 748 . . 1 62 62 VAL HG12 H 1 1.035 0.026 . 2 . . . . 241 VAL HG1 . 19266 1 749 . . 1 62 62 VAL HG13 H 1 1.035 0.026 . 2 . . . . 241 VAL HG1 . 19266 1 750 . . 1 62 62 VAL HG21 H 1 0.943 0.011 . 2 . . . . 241 VAL HG2 . 19266 1 751 . . 1 62 62 VAL HG22 H 1 0.943 0.011 . 2 . . . . 241 VAL HG2 . 19266 1 752 . . 1 62 62 VAL HG23 H 1 0.943 0.011 . 2 . . . . 241 VAL HG2 . 19266 1 753 . . 1 63 63 ASP C C 13 178.056 0.016 . 1 . . . . 242 ASP C . 19266 1 754 . . 1 63 63 ASP CA C 13 57.492 0.184 . 1 . . . . 242 ASP CA . 19266 1 755 . . 1 63 63 ASP CB C 13 40.844 0.224 . 1 . . . . 242 ASP CB . 19266 1 756 . . 1 63 63 ASP H H 1 7.979 0.022 . 1 . . . . 242 ASP H . 19266 1 757 . . 1 63 63 ASP HA H 1 4.334 0.011 . 1 . . . . 242 ASP HA . 19266 1 758 . . 1 63 63 ASP HB2 H 1 2.789 0.009 . 2 . . . . 242 ASP HB2 . 19266 1 759 . . 1 63 63 ASP HB3 H 1 2.658 0.012 . 2 . . . . 242 ASP HB3 . 19266 1 760 . . 1 63 63 ASP N N 15 118.787 0.193 . 1 . . . . 242 ASP N . 19266 1 761 . . 1 64 64 TYR C C 13 178.107 0.042 . 1 . . . . 243 TYR C . 19266 1 762 . . 1 64 64 TYR CA C 13 61.771 0.254 . 1 . . . . 243 TYR CA . 19266 1 763 . . 1 64 64 TYR CB C 13 38.716 0.251 . 1 . . . . 243 TYR CB . 19266 1 764 . . 1 64 64 TYR CD1 C 13 133.070 0.163 . 3 . . . . 243 TYR CD1 . 19266 1 765 . . 1 64 64 TYR CE1 C 13 118.108 0.096 . 3 . . . . 243 TYR CE1 . 19266 1 766 . . 1 64 64 TYR H H 1 7.899 0.019 . 1 . . . . 243 TYR H . 19266 1 767 . . 1 64 64 TYR HA H 1 4.053 0.016 . 1 . . . . 243 TYR HA . 19266 1 768 . . 1 64 64 TYR HB2 H 1 3.192 0.008 . 2 . . . . 243 TYR HB2 . 19266 1 769 . . 1 64 64 TYR HB3 H 1 3.136 0.004 . 2 . . . . 243 TYR HB3 . 19266 1 770 . . 1 64 64 TYR N N 15 118.780 0.158 . 1 . . . . 243 TYR N . 19266 1 771 . . 1 64 64 TYR HD1 H 1 7.032 0.013 . 3 . . . . 243 TYR HD . 19266 1 772 . . 1 64 64 TYR HD2 H 1 7.032 0.013 . 3 . . . . 243 TYR HD . 19266 1 773 . . 1 64 64 TYR HE1 H 1 6.763 0.007 . 3 . . . . 243 TYR HE . 19266 1 774 . . 1 64 64 TYR HE2 H 1 6.763 0.007 . 3 . . . . 243 TYR HE . 19266 1 775 . . 1 65 65 VAL C C 13 177.290 0.032 . 1 . . . . 244 VAL C . 19266 1 776 . . 1 65 65 VAL CA C 13 66.748 0.223 . 1 . . . . 244 VAL CA . 19266 1 777 . . 1 65 65 VAL CB C 13 31.458 0.395 . 1 . . . . 244 VAL CB . 19266 1 778 . . 1 65 65 VAL CG1 C 13 23.332 0.072 . 2 . . . . 244 VAL CG1 . 19266 1 779 . . 1 65 65 VAL CG2 C 13 22.052 0.112 . 2 . . . . 244 VAL CG2 . 19266 1 780 . . 1 65 65 VAL H H 1 8.168 0.019 . 1 . . . . 244 VAL H . 19266 1 781 . . 1 65 65 VAL HA H 1 3.515 0.006 . 1 . . . . 244 VAL HA . 19266 1 782 . . 1 65 65 VAL HB H 1 2.236 0.010 . 1 . . . . 244 VAL HB . 19266 1 783 . . 1 65 65 VAL N N 15 118.576 0.128 . 1 . . . . 244 VAL N . 19266 1 784 . . 1 65 65 VAL HG11 H 1 1.162 0.009 . 2 . . . . 244 VAL HG1 . 19266 1 785 . . 1 65 65 VAL HG12 H 1 1.162 0.009 . 2 . . . . 244 VAL HG1 . 19266 1 786 . . 1 65 65 VAL HG13 H 1 1.162 0.009 . 2 . . . . 244 VAL HG1 . 19266 1 787 . . 1 65 65 VAL HG21 H 1 0.951 0.013 . 2 . . . . 244 VAL HG2 . 19266 1 788 . . 1 65 65 VAL HG22 H 1 0.951 0.013 . 2 . . . . 244 VAL HG2 . 19266 1 789 . . 1 65 65 VAL HG23 H 1 0.951 0.013 . 2 . . . . 244 VAL HG2 . 19266 1 790 . . 1 66 66 GLU C C 13 178.882 0.086 . 1 . . . . 245 GLU C . 19266 1 791 . . 1 66 66 GLU CA C 13 59.836 0.325 . 1 . . . . 245 GLU CA . 19266 1 792 . . 1 66 66 GLU CB C 13 28.159 0.252 . 1 . . . . 245 GLU CB . 19266 1 793 . . 1 66 66 GLU CG C 13 35.820 0.163 . 1 . . . . 245 GLU CG . 19266 1 794 . . 1 66 66 GLU H H 1 8.660 0.022 . 1 . . . . 245 GLU H . 19266 1 795 . . 1 66 66 GLU HA H 1 3.859 0.050 . 1 . . . . 245 GLU HA . 19266 1 796 . . 1 66 66 GLU HB2 H 1 2.204 0.012 . 2 . . . . 245 GLU HB2 . 19266 1 797 . . 1 66 66 GLU HB3 H 1 2.057 0.039 . 2 . . . . 245 GLU HB3 . 19266 1 798 . . 1 66 66 GLU N N 15 118.259 0.192 . 1 . . . . 245 GLU N . 19266 1 799 . . 1 66 66 GLU HG2 H 1 2.410 0.007 . 2 . . . . 245 GLU HG . 19266 1 800 . . 1 66 66 GLU HG3 H 1 2.410 0.007 . 2 . . . . 245 GLU HG . 19266 1 801 . . 1 67 67 ARG C C 13 177.943 0.042 . 1 . . . . 246 ARG C . 19266 1 802 . . 1 67 67 ARG CA C 13 58.811 0.253 . 1 . . . . 246 ARG CA . 19266 1 803 . . 1 67 67 ARG CB C 13 30.026 0.296 . 1 . . . . 246 ARG CB . 19266 1 804 . . 1 67 67 ARG CD C 13 43.581 0.058 . 1 . . . . 246 ARG CD . 19266 1 805 . . 1 67 67 ARG CG C 13 27.919 0.126 . 1 . . . . 246 ARG CG . 19266 1 806 . . 1 67 67 ARG H H 1 7.939 0.017 . 1 . . . . 246 ARG H . 19266 1 807 . . 1 67 67 ARG HA H 1 4.025 0.008 . 1 . . . . 246 ARG HA . 19266 1 808 . . 1 67 67 ARG HD2 H 1 3.182 0.009 . 2 . . . . 246 ARG HD2 . 19266 1 809 . . 1 67 67 ARG HD3 H 1 3.125 0.006 . 2 . . . . 246 ARG HD3 . 19266 1 810 . . 1 67 67 ARG HE H 1 7.388 0.010 . 1 . . . . 246 ARG HE . 19266 1 811 . . 1 67 67 ARG HG2 H 1 1.779 0.012 . 2 . . . . 246 ARG HG2 . 19266 1 812 . . 1 67 67 ARG HG3 H 1 1.609 0.006 . 2 . . . . 246 ARG HG3 . 19266 1 813 . . 1 67 67 ARG N N 15 118.067 0.204 . 1 . . . . 246 ARG N . 19266 1 814 . . 1 67 67 ARG NE N 15 85.720 0.056 . 1 . . . . 246 ARG NE . 19266 1 815 . . 1 67 67 ARG HB2 H 1 1.822 0.012 . 2 . . . . 246 ARG HB . 19266 1 816 . . 1 67 67 ARG HB3 H 1 1.822 0.012 . 2 . . . . 246 ARG HB . 19266 1 817 . . 1 68 68 ALA C C 13 179.284 0.163 . 1 . . . . 247 ALA C . 19266 1 818 . . 1 68 68 ALA CA C 13 54.422 0.155 . 1 . . . . 247 ALA CA . 19266 1 819 . . 1 68 68 ALA CB C 13 18.630 0.221 . 1 . . . . 247 ALA CB . 19266 1 820 . . 1 68 68 ALA H H 1 7.864 0.016 . 1 . . . . 247 ALA H . 19266 1 821 . . 1 68 68 ALA HA H 1 4.130 0.006 . 1 . . . . 247 ALA HA . 19266 1 822 . . 1 68 68 ALA N N 15 121.118 0.109 . 1 . . . . 247 ALA N . 19266 1 823 . . 1 68 68 ALA HB1 H 1 1.373 0.007 . 1 . . . . 247 ALA HB . 19266 1 824 . . 1 68 68 ALA HB2 H 1 1.373 0.007 . 1 . . . . 247 ALA HB . 19266 1 825 . . 1 68 68 ALA HB3 H 1 1.373 0.007 . 1 . . . . 247 ALA HB . 19266 1 826 . . 1 69 69 VAL C C 13 176.226 0.025 . 1 . . . . 248 VAL C . 19266 1 827 . . 1 69 69 VAL CA C 13 62.809 0.228 . 1 . . . . 248 VAL CA . 19266 1 828 . . 1 69 69 VAL CB C 13 32.530 0.218 . 1 . . . . 248 VAL CB . 19266 1 829 . . 1 69 69 VAL CG1 C 13 20.688 0.180 . 2 . . . . 248 VAL CG1 . 19266 1 830 . . 1 69 69 VAL CG2 C 13 21.576 0.123 . 2 . . . . 248 VAL CG2 . 19266 1 831 . . 1 69 69 VAL H H 1 7.795 0.012 . 1 . . . . 248 VAL H . 19266 1 832 . . 1 69 69 VAL HA H 1 4.133 0.007 . 1 . . . . 248 VAL HA . 19266 1 833 . . 1 69 69 VAL HB H 1 2.279 0.013 . 1 . . . . 248 VAL HB . 19266 1 834 . . 1 69 69 VAL HG11 H 1 0.979 0.003 . 2 . . . . 248 VAL HG1 . 19266 1 835 . . 1 69 69 VAL HG12 H 1 0.979 0.003 . 2 . . . . 248 VAL HG1 . 19266 1 836 . . 1 69 69 VAL HG13 H 1 0.979 0.003 . 2 . . . . 248 VAL HG1 . 19266 1 837 . . 1 69 69 VAL HG21 H 1 0.928 0.007 . 2 . . . . 248 VAL HG2 . 19266 1 838 . . 1 69 69 VAL HG22 H 1 0.928 0.007 . 2 . . . . 248 VAL HG2 . 19266 1 839 . . 1 69 69 VAL HG23 H 1 0.928 0.007 . 2 . . . . 248 VAL HG2 . 19266 1 840 . . 1 70 70 SER C C 13 174.487 0.022 . 1 . . . . 249 SER C . 19266 1 841 . . 1 70 70 SER CA C 13 59.228 0.181 . 1 . . . . 249 SER CA . 19266 1 842 . . 1 70 70 SER CB C 13 63.749 0.221 . 1 . . . . 249 SER CB . 19266 1 843 . . 1 70 70 SER H H 1 7.763 0.050 . 1 . . . . 249 SER H . 19266 1 844 . . 1 70 70 SER HA H 1 4.388 0.010 . 1 . . . . 249 SER HA . 19266 1 845 . . 1 70 70 SER N N 15 115.834 0.127 . 1 . . . . 249 SER N . 19266 1 846 . . 1 70 70 SER HB2 H 1 3.917 0.007 . 2 . . . . 249 SER HB . 19266 1 847 . . 1 70 70 SER HB3 H 1 3.917 0.007 . 2 . . . . 249 SER HB . 19266 1 848 . . 1 71 71 ASP C C 13 177.084 0.003 . 1 . . . . 250 ASP C . 19266 1 849 . . 1 71 71 ASP CA C 13 54.533 0.195 . 1 . . . . 250 ASP CA . 19266 1 850 . . 1 71 71 ASP CB C 13 41.098 0.191 . 1 . . . . 250 ASP CB . 19266 1 851 . . 1 71 71 ASP H H 1 8.323 0.022 . 1 . . . . 250 ASP H . 19266 1 852 . . 1 71 71 ASP HA H 1 4.386 0.007 . 1 . . . . 250 ASP HA . 19266 1 853 . . 1 71 71 ASP HB2 H 1 2.731 0.003 . 2 . . . . 250 ASP HB2 . 19266 1 854 . . 1 71 71 ASP HB3 H 1 2.668 0.003 . 2 . . . . 250 ASP HB3 . 19266 1 855 . . 1 71 71 ASP N N 15 121.506 0.143 . 1 . . . . 250 ASP N . 19266 1 856 . . 1 72 72 THR C C 13 175.317 0.025 . 1 . . . . 251 THR C . 19266 1 857 . . 1 72 72 THR CA C 13 63.430 0.338 . 1 . . . . 251 THR CA . 19266 1 858 . . 1 72 72 THR CB C 13 69.285 0.281 . 1 . . . . 251 THR CB . 19266 1 859 . . 1 72 72 THR CG2 C 13 21.870 0.063 . 1 . . . . 251 THR CG2 . 19266 1 860 . . 1 72 72 THR H H 1 8.037 0.019 . 1 . . . . 251 THR H . 19266 1 861 . . 1 72 72 THR HA H 1 4.194 0.006 . 1 . . . . 251 THR HA . 19266 1 862 . . 1 72 72 THR HB H 1 4.272 0.004 . 1 . . . . 251 THR HB . 19266 1 863 . . 1 72 72 THR N N 15 114.645 0.150 . 1 . . . . 251 THR N . 19266 1 864 . . 1 72 72 THR HG21 H 1 1.223 0.013 . 1 . . . . 251 THR HG2 . 19266 1 865 . . 1 72 72 THR HG22 H 1 1.223 0.013 . 1 . . . . 251 THR HG2 . 19266 1 866 . . 1 72 72 THR HG23 H 1 1.223 0.013 . 1 . . . . 251 THR HG2 . 19266 1 867 . . 1 73 73 LYS C C 13 177.074 0.062 . 1 . . . . 252 LYS C . 19266 1 868 . . 1 73 73 LYS CA C 13 57.401 0.266 . 1 . . . . 252 LYS CA . 19266 1 869 . . 1 73 73 LYS CB C 13 32.143 0.467 . 1 . . . . 252 LYS CB . 19266 1 870 . . 1 73 73 LYS CD C 13 29.115 0.039 . 1 . . . . 252 LYS CD . 19266 1 871 . . 1 73 73 LYS CE C 13 42.162 0.163 . 1 . . . . 252 LYS CE . 19266 1 872 . . 1 73 73 LYS CG C 13 25.058 0.049 . 1 . . . . 252 LYS CG . 19266 1 873 . . 1 73 73 LYS H H 1 8.234 0.019 . 1 . . . . 252 LYS H . 19266 1 874 . . 1 73 73 LYS HA H 1 4.192 0.006 . 1 . . . . 252 LYS HA . 19266 1 875 . . 1 73 73 LYS HG2 H 1 1.503 0.026 . 2 . . . . 252 LYS HG2 . 19266 1 876 . . 1 73 73 LYS HG3 H 1 1.406 0.008 . 2 . . . . 252 LYS HG3 . 19266 1 877 . . 1 73 73 LYS N N 15 121.703 0.142 . 1 . . . . 252 LYS N . 19266 1 878 . . 1 73 73 LYS HB2 H 1 1.874 0.012 . 2 . . . . 252 LYS HB . 19266 1 879 . . 1 73 73 LYS HB3 H 1 1.874 0.012 . 2 . . . . 252 LYS HB . 19266 1 880 . . 1 73 73 LYS HD2 H 1 1.679 0.011 . 2 . . . . 252 LYS HD . 19266 1 881 . . 1 73 73 LYS HD3 H 1 1.679 0.011 . 2 . . . . 252 LYS HD . 19266 1 882 . . 1 73 73 LYS HE2 H 1 2.966 0.003 . 2 . . . . 252 LYS HE . 19266 1 883 . . 1 73 73 LYS HE3 H 1 2.966 0.003 . 2 . . . . 252 LYS HE . 19266 1 884 . . 1 74 74 LYS C C 13 176.337 0.042 . 1 . . . . 253 LYS C . 19266 1 885 . . 1 74 74 LYS CA C 13 57.015 0.393 . 1 . . . . 253 LYS CA . 19266 1 886 . . 1 74 74 LYS CB C 13 32.840 0.317 . 1 . . . . 253 LYS CB . 19266 1 887 . . 1 74 74 LYS CD C 13 29.222 0.163 . 1 . . . . 253 LYS CD . 19266 1 888 . . 1 74 74 LYS CE C 13 42.245 0.163 . 1 . . . . 253 LYS CE . 19266 1 889 . . 1 74 74 LYS CG C 13 25.161 0.084 . 1 . . . . 253 LYS CG . 19266 1 890 . . 1 74 74 LYS H H 1 7.880 0.017 . 1 . . . . 253 LYS H . 19266 1 891 . . 1 74 74 LYS HA H 1 4.213 0.010 . 1 . . . . 253 LYS HA . 19266 1 892 . . 1 74 74 LYS HB2 H 1 1.841 0.015 . 2 . . . . 253 LYS HB2 . 19266 1 893 . . 1 74 74 LYS HB3 H 1 1.766 0.005 . 2 . . . . 253 LYS HB3 . 19266 1 894 . . 1 74 74 LYS HG2 H 1 1.475 0.012 . 2 . . . . 253 LYS HG2 . 19266 1 895 . . 1 74 74 LYS HG3 H 1 1.388 0.006 . 2 . . . . 253 LYS HG3 . 19266 1 896 . . 1 74 74 LYS N N 15 119.499 0.147 . 1 . . . . 253 LYS N . 19266 1 897 . . 1 74 74 LYS HD2 H 1 1.713 0.050 . 2 . . . . 253 LYS HD . 19266 1 898 . . 1 74 74 LYS HD3 H 1 1.713 0.050 . 2 . . . . 253 LYS HD . 19266 1 899 . . 1 74 74 LYS HE2 H 1 2.974 0.006 . 2 . . . . 253 LYS HE . 19266 1 900 . . 1 74 74 LYS HE3 H 1 2.974 0.006 . 2 . . . . 253 LYS HE . 19266 1 901 . . 1 75 75 ALA C C 13 177.856 0.043 . 1 . . . . 254 ALA C . 19266 1 902 . . 1 75 75 ALA CA C 13 52.979 0.203 . 1 . . . . 254 ALA CA . 19266 1 903 . . 1 75 75 ALA CB C 13 19.004 0.323 . 1 . . . . 254 ALA CB . 19266 1 904 . . 1 75 75 ALA H H 1 8.020 0.016 . 1 . . . . 254 ALA H . 19266 1 905 . . 1 75 75 ALA HA H 1 4.285 0.009 . 1 . . . . 254 ALA HA . 19266 1 906 . . 1 75 75 ALA N N 15 123.231 0.126 . 1 . . . . 254 ALA N . 19266 1 907 . . 1 75 75 ALA HB1 H 1 1.399 0.009 . 1 . . . . 254 ALA HB . 19266 1 908 . . 1 75 75 ALA HB2 H 1 1.399 0.009 . 1 . . . . 254 ALA HB . 19266 1 909 . . 1 75 75 ALA HB3 H 1 1.399 0.009 . 1 . . . . 254 ALA HB . 19266 1 910 . . 1 76 76 VAL C C 13 176.379 0.014 . 1 . . . . 255 VAL C . 19266 1 911 . . 1 76 76 VAL CA C 13 62.951 0.309 . 1 . . . . 255 VAL CA . 19266 1 912 . . 1 76 76 VAL CB C 13 32.572 0.300 . 1 . . . . 255 VAL CB . 19266 1 913 . . 1 76 76 VAL CG1 C 13 21.475 0.117 . 2 . . . . 255 VAL CG1 . 19266 1 914 . . 1 76 76 VAL CG2 C 13 21.241 0.134 . 2 . . . . 255 VAL CG2 . 19266 1 915 . . 1 76 76 VAL H H 1 7.882 0.016 . 1 . . . . 255 VAL H . 19266 1 916 . . 1 76 76 VAL HA H 1 4.008 0.009 . 1 . . . . 255 VAL HA . 19266 1 917 . . 1 76 76 VAL HB H 1 2.061 0.008 . 1 . . . . 255 VAL HB . 19266 1 918 . . 1 76 76 VAL N N 15 117.933 0.141 . 1 . . . . 255 VAL N . 19266 1 919 . . 1 76 76 VAL HG11 H 1 0.928 0.005 . 2 . . . . 255 VAL HG1 . 19266 1 920 . . 1 76 76 VAL HG12 H 1 0.928 0.005 . 2 . . . . 255 VAL HG1 . 19266 1 921 . . 1 76 76 VAL HG13 H 1 0.928 0.005 . 2 . . . . 255 VAL HG1 . 19266 1 922 . . 1 76 76 VAL HG21 H 1 0.886 0.008 . 2 . . . . 255 VAL HG2 . 19266 1 923 . . 1 76 76 VAL HG22 H 1 0.886 0.008 . 2 . . . . 255 VAL HG2 . 19266 1 924 . . 1 76 76 VAL HG23 H 1 0.886 0.008 . 2 . . . . 255 VAL HG2 . 19266 1 925 . . 1 77 77 LYS C C 13 176.537 0.051 . 1 . . . . 256 LYS C . 19266 1 926 . . 1 77 77 LYS CA C 13 57.037 0.265 . 1 . . . . 256 LYS CA . 19266 1 927 . . 1 77 77 LYS CB C 13 32.665 0.272 . 1 . . . . 256 LYS CB . 19266 1 928 . . 1 77 77 LYS CD C 13 29.093 0.101 . 1 . . . . 256 LYS CD . 19266 1 929 . . 1 77 77 LYS CE C 13 42.180 0.043 . 1 . . . . 256 LYS CE . 19266 1 930 . . 1 77 77 LYS CG C 13 24.762 0.084 . 1 . . . . 256 LYS CG . 19266 1 931 . . 1 77 77 LYS H H 1 8.109 0.018 . 1 . . . . 256 LYS H . 19266 1 932 . . 1 77 77 LYS HA H 1 4.188 0.005 . 1 . . . . 256 LYS HA . 19266 1 933 . . 1 77 77 LYS HG2 H 1 1.287 0.006 . 2 . . . . 256 LYS HG2 . 19266 1 934 . . 1 77 77 LYS HG3 H 1 1.220 0.006 . 2 . . . . 256 LYS HG3 . 19266 1 935 . . 1 77 77 LYS N N 15 122.825 0.140 . 1 . . . . 256 LYS N . 19266 1 936 . . 1 77 77 LYS HB2 H 1 1.687 0.006 . 2 . . . . 256 LYS HB . 19266 1 937 . . 1 77 77 LYS HB3 H 1 1.687 0.006 . 2 . . . . 256 LYS HB . 19266 1 938 . . 1 77 77 LYS HD2 H 1 1.615 0.007 . 2 . . . . 256 LYS HD . 19266 1 939 . . 1 77 77 LYS HD3 H 1 1.615 0.007 . 2 . . . . 256 LYS HD . 19266 1 940 . . 1 77 77 LYS HE2 H 1 2.935 0.006 . 2 . . . . 256 LYS HE . 19266 1 941 . . 1 77 77 LYS HE3 H 1 2.935 0.006 . 2 . . . . 256 LYS HE . 19266 1 942 . . 1 78 78 TYR C C 13 175.850 0.042 . 1 . . . . 257 TYR C . 19266 1 943 . . 1 78 78 TYR CA C 13 58.124 0.192 . 1 . . . . 257 TYR CA . 19266 1 944 . . 1 78 78 TYR CB C 13 38.603 0.261 . 1 . . . . 257 TYR CB . 19266 1 945 . . 1 78 78 TYR CD1 C 13 133.248 0.163 . 3 . . . . 257 TYR CD1 . 19266 1 946 . . 1 78 78 TYR CE1 C 13 118.249 0.062 . 3 . . . . 257 TYR CE1 . 19266 1 947 . . 1 78 78 TYR H H 1 7.921 0.033 . 1 . . . . 257 TYR H . 19266 1 948 . . 1 78 78 TYR HA H 1 4.529 0.006 . 1 . . . . 257 TYR HA . 19266 1 949 . . 1 78 78 TYR HB2 H 1 3.075 0.007 . 2 . . . . 257 TYR HB2 . 19266 1 950 . . 1 78 78 TYR HB3 H 1 2.955 0.010 . 2 . . . . 257 TYR HB3 . 19266 1 951 . . 1 78 78 TYR N N 15 119.393 0.126 . 1 . . . . 257 TYR N . 19266 1 952 . . 1 78 78 TYR HD1 H 1 7.097 0.008 . 3 . . . . 257 TYR HD . 19266 1 953 . . 1 78 78 TYR HD2 H 1 7.097 0.008 . 3 . . . . 257 TYR HD . 19266 1 954 . . 1 78 78 TYR HE1 H 1 6.826 0.011 . 3 . . . . 257 TYR HE . 19266 1 955 . . 1 78 78 TYR HE2 H 1 6.826 0.011 . 3 . . . . 257 TYR HE . 19266 1 956 . . 1 79 79 GLN C C 13 176.209 0.077 . 1 . . . . 258 GLN C . 19266 1 957 . . 1 79 79 GLN CA C 13 56.411 0.257 . 1 . . . . 258 GLN CA . 19266 1 958 . . 1 79 79 GLN CB C 13 29.223 0.394 . 1 . . . . 258 GLN CB . 19266 1 959 . . 1 79 79 GLN CG C 13 33.869 0.082 . 1 . . . . 258 GLN CG . 19266 1 960 . . 1 79 79 GLN H H 1 8.122 0.017 . 1 . . . . 258 GLN H . 19266 1 961 . . 1 79 79 GLN HA H 1 4.276 0.005 . 1 . . . . 258 GLN HA . 19266 1 962 . . 1 79 79 GLN HB2 H 1 2.091 0.014 . 2 . . . . 258 GLN HB2 . 19266 1 963 . . 1 79 79 GLN HB3 H 1 1.989 0.019 . 2 . . . . 258 GLN HB3 . 19266 1 964 . . 1 79 79 GLN HE21 H 1 7.463 0.008 . 2 . . . . 258 GLN HE21 . 19266 1 965 . . 1 79 79 GLN HE22 H 1 6.801 0.005 . 2 . . . . 258 GLN HE22 . 19266 1 966 . . 1 79 79 GLN N N 15 120.883 0.136 . 1 . . . . 258 GLN N . 19266 1 967 . . 1 79 79 GLN NE2 N 15 111.657 0.296 . 1 . . . . 258 GLN NE2 . 19266 1 968 . . 1 79 79 GLN HG2 H 1 2.331 0.012 . 2 . . . . 258 GLN HG . 19266 1 969 . . 1 79 79 GLN HG3 H 1 2.331 0.012 . 2 . . . . 258 GLN HG . 19266 1 970 . . 1 80 80 SER C C 13 175.485 0.047 . 1 . . . . 259 SER C . 19266 1 971 . . 1 80 80 SER CA C 13 58.908 0.256 . 1 . . . . 259 SER CA . 19266 1 972 . . 1 80 80 SER CB C 13 63.212 0.150 . 1 . . . . 259 SER CB . 19266 1 973 . . 1 80 80 SER H H 1 8.243 0.018 . 1 . . . . 259 SER H . 19266 1 974 . . 1 80 80 SER HA H 1 4.401 0.013 . 1 . . . . 259 SER HA . 19266 1 975 . . 1 80 80 SER HB2 H 1 4.014 0.004 . 2 . . . . 259 SER HB2 . 19266 1 976 . . 1 80 80 SER HB3 H 1 3.885 0.007 . 2 . . . . 259 SER HB3 . 19266 1 977 . . 1 80 80 SER N N 15 116.610 0.166 . 1 . . . . 259 SER N . 19266 1 978 . . 1 81 81 LYS C C 13 177.812 0.048 . 1 . . . . 260 LYS C . 19266 1 979 . . 1 81 81 LYS CA C 13 58.295 0.286 . 1 . . . . 260 LYS CA . 19266 1 980 . . 1 81 81 LYS CB C 13 31.823 0.525 . 1 . . . . 260 LYS CB . 19266 1 981 . . 1 81 81 LYS CD C 13 29.115 0.163 . 1 . . . . 260 LYS CD . 19266 1 982 . . 1 81 81 LYS CE C 13 42.252 0.163 . 1 . . . . 260 LYS CE . 19266 1 983 . . 1 81 81 LYS CG C 13 25.259 0.026 . 1 . . . . 260 LYS CG . 19266 1 984 . . 1 81 81 LYS H H 1 8.459 0.021 . 1 . . . . 260 LYS H . 19266 1 985 . . 1 81 81 LYS HA H 1 4.155 0.007 . 1 . . . . 260 LYS HA . 19266 1 986 . . 1 81 81 LYS N N 15 123.792 0.319 . 1 . . . . 260 LYS N . 19266 1 987 . . 1 81 81 LYS HB2 H 1 1.874 0.007 . 2 . . . . 260 LYS HB . 19266 1 988 . . 1 81 81 LYS HB3 H 1 1.874 0.007 . 2 . . . . 260 LYS HB . 19266 1 989 . . 1 81 81 LYS HD2 H 1 1.702 0.007 . 2 . . . . 260 LYS HD . 19266 1 990 . . 1 81 81 LYS HD3 H 1 1.702 0.007 . 2 . . . . 260 LYS HD . 19266 1 991 . . 1 81 81 LYS HE2 H 1 2.989 0.007 . 2 . . . . 260 LYS HE . 19266 1 992 . . 1 81 81 LYS HE3 H 1 2.989 0.007 . 2 . . . . 260 LYS HE . 19266 1 993 . . 1 81 81 LYS HG2 H 1 1.456 0.004 . 2 . . . . 260 LYS HG . 19266 1 994 . . 1 81 81 LYS HG3 H 1 1.456 0.004 . 2 . . . . 260 LYS HG . 19266 1 995 . . 1 82 82 ALA C C 13 179.093 0.015 . 1 . . . . 261 ALA C . 19266 1 996 . . 1 82 82 ALA CA C 13 54.348 0.282 . 1 . . . . 261 ALA CA . 19266 1 997 . . 1 82 82 ALA CB C 13 18.713 0.256 . 1 . . . . 261 ALA CB . 19266 1 998 . . 1 82 82 ALA H H 1 8.127 0.019 . 1 . . . . 261 ALA H . 19266 1 999 . . 1 82 82 ALA HA H 1 4.190 0.008 . 1 . . . . 261 ALA HA . 19266 1 1000 . . 1 82 82 ALA N N 15 122.222 0.144 . 1 . . . . 261 ALA N . 19266 1 1001 . . 1 82 82 ALA HB1 H 1 1.439 0.004 . 1 . . . . 261 ALA HB . 19266 1 1002 . . 1 82 82 ALA HB2 H 1 1.439 0.004 . 1 . . . . 261 ALA HB . 19266 1 1003 . . 1 82 82 ALA HB3 H 1 1.439 0.004 . 1 . . . . 261 ALA HB . 19266 1 1004 . . 1 83 83 ARG C C 13 177.637 0.036 . 1 . . . . 262 ARG C . 19266 1 1005 . . 1 83 83 ARG CA C 13 58.982 0.271 . 1 . . . . 262 ARG CA . 19266 1 1006 . . 1 83 83 ARG CB C 13 29.255 0.163 . 1 . . . . 262 ARG CB . 19266 1 1007 . . 1 83 83 ARG CD C 13 43.517 0.146 . 1 . . . . 262 ARG CD . 19266 1 1008 . . 1 83 83 ARG CG C 13 27.797 0.162 . 1 . . . . 262 ARG CG . 19266 1 1009 . . 1 83 83 ARG H H 1 7.981 0.022 . 1 . . . . 262 ARG H . 19266 1 1010 . . 1 83 83 ARG HA H 1 4.044 0.013 . 1 . . . . 262 ARG HA . 19266 1 1011 . . 1 83 83 ARG N N 15 119.361 0.158 . 1 . . . . 262 ARG N . 19266 1 1012 . . 1 83 83 ARG HD2 H 1 3.212 0.009 . 2 . . . . 262 ARG HD . 19266 1 1013 . . 1 83 83 ARG HD3 H 1 3.212 0.009 . 2 . . . . 262 ARG HD . 19266 1 1014 . . 1 83 83 ARG HG2 H 1 1.688 0.002 . 2 . . . . 262 ARG HG . 19266 1 1015 . . 1 83 83 ARG HG3 H 1 1.688 0.002 . 2 . . . . 262 ARG HG . 19266 1 1016 . . 1 84 84 ARG C C 13 177.705 0.029 . 1 . . . . 263 ARG C . 19266 1 1017 . . 1 84 84 ARG CA C 13 59.421 0.002 . 1 . . . . 263 ARG CA . 19266 1 1018 . . 1 84 84 ARG CB C 13 29.195 0.031 . 1 . . . . 263 ARG CB . 19266 1 1019 . . 1 84 84 ARG CD C 13 43.582 0.053 . 1 . . . . 263 ARG CD . 19266 1 1020 . . 1 84 84 ARG CG C 13 28.440 0.163 . 1 . . . . 263 ARG CG . 19266 1 1021 . . 1 84 84 ARG H H 1 8.134 0.027 . 1 . . . . 263 ARG H . 19266 1 1022 . . 1 84 84 ARG HA H 1 3.881 0.001 . 1 . . . . 263 ARG HA . 19266 1 1023 . . 1 84 84 ARG N N 15 118.635 0.160 . 1 . . . . 263 ARG N . 19266 1 1024 . . 1 84 84 ARG HB2 H 1 1.932 0.003 . 2 . . . . 263 ARG HB . 19266 1 1025 . . 1 84 84 ARG HB3 H 1 1.932 0.003 . 2 . . . . 263 ARG HB . 19266 1 1026 . . 1 84 84 ARG HD2 H 1 3.197 0.010 . 2 . . . . 263 ARG HD . 19266 1 1027 . . 1 84 84 ARG HD3 H 1 3.197 0.010 . 2 . . . . 263 ARG HD . 19266 1 1028 . . 1 85 85 LYS C C 13 177.731 0.002 . 1 . . . . 264 LYS C . 19266 1 1029 . . 1 85 85 LYS CA C 13 59.864 0.222 . 1 . . . . 264 LYS CA . 19266 1 1030 . . 1 85 85 LYS CB C 13 32.175 0.292 . 1 . . . . 264 LYS CB . 19266 1 1031 . . 1 85 85 LYS CD C 13 29.686 0.050 . 1 . . . . 264 LYS CD . 19266 1 1032 . . 1 85 85 LYS CE C 13 41.977 0.063 . 1 . . . . 264 LYS CE . 19266 1 1033 . . 1 85 85 LYS CG C 13 25.377 0.076 . 1 . . . . 264 LYS CG . 19266 1 1034 . . 1 85 85 LYS H H 1 7.935 0.020 . 1 . . . . 264 LYS H . 19266 1 1035 . . 1 85 85 LYS HA H 1 3.953 0.015 . 1 . . . . 264 LYS HA . 19266 1 1036 . . 1 85 85 LYS HB2 H 1 1.958 0.011 . 2 . . . . 264 LYS HB2 . 19266 1 1037 . . 1 85 85 LYS HB3 H 1 1.882 0.014 . 2 . . . . 264 LYS HB3 . 19266 1 1038 . . 1 85 85 LYS HG2 H 1 1.503 0.008 . 2 . . . . 264 LYS HG2 . 19266 1 1039 . . 1 85 85 LYS HG3 H 1 1.382 0.012 . 2 . . . . 264 LYS HG3 . 19266 1 1040 . . 1 85 85 LYS N N 15 118.667 0.165 . 1 . . . . 264 LYS N . 19266 1 1041 . . 1 85 85 LYS HD2 H 1 1.727 0.006 . 2 . . . . 264 LYS HD . 19266 1 1042 . . 1 85 85 LYS HD3 H 1 1.727 0.006 . 2 . . . . 264 LYS HD . 19266 1 1043 . . 1 85 85 LYS HE2 H 1 2.884 0.005 . 2 . . . . 264 LYS HE . 19266 1 1044 . . 1 85 85 LYS HE3 H 1 2.884 0.005 . 2 . . . . 264 LYS HE . 19266 1 1045 . . 1 86 86 LYS C C 13 178.066 0.027 . 1 . . . . 265 LYS C . 19266 1 1046 . . 1 86 86 LYS CA C 13 60.158 0.167 . 1 . . . . 265 LYS CA . 19266 1 1047 . . 1 86 86 LYS CB C 13 32.371 0.349 . 1 . . . . 265 LYS CB . 19266 1 1048 . . 1 86 86 LYS CD C 13 29.826 0.078 . 1 . . . . 265 LYS CD . 19266 1 1049 . . 1 86 86 LYS CE C 13 42.017 0.050 . 1 . . . . 265 LYS CE . 19266 1 1050 . . 1 86 86 LYS CG C 13 25.782 0.162 . 1 . . . . 265 LYS CG . 19266 1 1051 . . 1 86 86 LYS H H 1 7.796 0.016 . 1 . . . . 265 LYS H . 19266 1 1052 . . 1 86 86 LYS HA H 1 3.873 0.012 . 1 . . . . 265 LYS HA . 19266 1 1053 . . 1 86 86 LYS HB2 H 1 1.997 0.027 . 2 . . . . 265 LYS HB2 . 19266 1 1054 . . 1 86 86 LYS HB3 H 1 1.887 0.047 . 2 . . . . 265 LYS HB3 . 19266 1 1055 . . 1 86 86 LYS HG2 H 1 1.597 0.009 . 2 . . . . 265 LYS HG2 . 19266 1 1056 . . 1 86 86 LYS HG3 H 1 1.332 0.010 . 2 . . . . 265 LYS HG3 . 19266 1 1057 . . 1 86 86 LYS N N 15 117.648 0.110 . 1 . . . . 265 LYS N . 19266 1 1058 . . 1 86 86 LYS HD2 H 1 1.721 0.009 . 2 . . . . 265 LYS HD . 19266 1 1059 . . 1 86 86 LYS HD3 H 1 1.721 0.009 . 2 . . . . 265 LYS HD . 19266 1 1060 . . 1 86 86 LYS HE2 H 1 2.866 0.008 . 2 . . . . 265 LYS HE . 19266 1 1061 . . 1 86 86 LYS HE3 H 1 2.866 0.008 . 2 . . . . 265 LYS HE . 19266 1 1062 . . 1 87 87 ILE C C 13 177.318 0.021 . 1 . . . . 266 ILE C . 19266 1 1063 . . 1 87 87 ILE CA C 13 65.301 0.285 . 1 . . . . 266 ILE CA . 19266 1 1064 . . 1 87 87 ILE CB C 13 36.677 0.017 . 1 . . . . 266 ILE CB . 19266 1 1065 . . 1 87 87 ILE CD1 C 13 13.600 0.056 . 1 . . . . 266 ILE CD1 . 19266 1 1066 . . 1 87 87 ILE CG1 C 13 29.754 0.177 . 1 . . . . 266 ILE CG1 . 19266 1 1067 . . 1 87 87 ILE CG2 C 13 17.883 0.042 . 1 . . . . 266 ILE CG2 . 19266 1 1068 . . 1 87 87 ILE H H 1 8.130 0.020 . 1 . . . . 266 ILE H . 19266 1 1069 . . 1 87 87 ILE HA H 1 3.583 0.012 . 1 . . . . 266 ILE HA . 19266 1 1070 . . 1 87 87 ILE HB H 1 2.090 0.012 . 1 . . . . 266 ILE HB . 19266 1 1071 . . 1 87 87 ILE HG12 H 1 1.866 0.010 . 2 . . . . 266 ILE HG12 . 19266 1 1072 . . 1 87 87 ILE HG13 H 1 1.024 0.009 . 2 . . . . 266 ILE HG13 . 19266 1 1073 . . 1 87 87 ILE N N 15 117.163 0.156 . 1 . . . . 266 ILE N . 19266 1 1074 . . 1 87 87 ILE HD11 H 1 0.829 0.010 . 1 . . . . 266 ILE HD1 . 19266 1 1075 . . 1 87 87 ILE HD12 H 1 0.829 0.010 . 1 . . . . 266 ILE HD1 . 19266 1 1076 . . 1 87 87 ILE HD13 H 1 0.829 0.010 . 1 . . . . 266 ILE HD1 . 19266 1 1077 . . 1 87 87 ILE HG21 H 1 0.918 0.006 . 1 . . . . 266 ILE HG2 . 19266 1 1078 . . 1 87 87 ILE HG22 H 1 0.918 0.006 . 1 . . . . 266 ILE HG2 . 19266 1 1079 . . 1 87 87 ILE HG23 H 1 0.918 0.006 . 1 . . . . 266 ILE HG2 . 19266 1 1080 . . 1 88 88 MET C C 13 178.209 0.034 . 1 . . . . 267 MET C . 19266 1 1081 . . 1 88 88 MET CA C 13 59.376 0.221 . 1 . . . . 267 MET CA . 19266 1 1082 . . 1 88 88 MET CB C 13 31.688 0.033 . 1 . . . . 267 MET CB . 19266 1 1083 . . 1 88 88 MET CG C 13 32.745 0.131 . 1 . . . . 267 MET CG . 19266 1 1084 . . 1 88 88 MET H H 1 8.254 0.022 . 1 . . . . 267 MET H . 19266 1 1085 . . 1 88 88 MET HA H 1 4.017 0.009 . 1 . . . . 267 MET HA . 19266 1 1086 . . 1 88 88 MET HG2 H 1 2.667 0.012 . 2 . . . . 267 MET HG2 . 19266 1 1087 . . 1 88 88 MET HG3 H 1 2.456 0.007 . 2 . . . . 267 MET HG3 . 19266 1 1088 . . 1 88 88 MET N N 15 118.117 0.179 . 1 . . . . 267 MET N . 19266 1 1089 . . 1 88 88 MET HB2 H 1 2.067 0.009 . 2 . . . . 267 MET HB . 19266 1 1090 . . 1 88 88 MET HB3 H 1 2.067 0.009 . 2 . . . . 267 MET HB . 19266 1 1091 . . 1 89 89 ILE C C 13 177.990 0.049 . 1 . . . . 268 ILE C . 19266 1 1092 . . 1 89 89 ILE CA C 13 66.043 0.244 . 1 . . . . 268 ILE CA . 19266 1 1093 . . 1 89 89 ILE CB C 13 37.361 0.417 . 1 . . . . 268 ILE CB . 19266 1 1094 . . 1 89 89 ILE CG1 C 13 29.512 0.175 . 1 . . . . 268 ILE CG1 . 19266 1 1095 . . 1 89 89 ILE CG2 C 13 17.644 0.184 . 1 . . . . 268 ILE CG2 . 19266 1 1096 . . 1 89 89 ILE H H 1 8.283 0.020 . 1 . . . . 268 ILE H . 19266 1 1097 . . 1 89 89 ILE HA H 1 3.564 0.018 . 1 . . . . 268 ILE HA . 19266 1 1098 . . 1 89 89 ILE HB H 1 2.060 0.009 . 1 . . . . 268 ILE HB . 19266 1 1099 . . 1 89 89 ILE HG12 H 1 1.955 0.004 . 2 . . . . 268 ILE HG12 . 19266 1 1100 . . 1 89 89 ILE HG13 H 1 1.012 0.005 . 2 . . . . 268 ILE HG13 . 19266 1 1101 . . 1 89 89 ILE N N 15 119.181 0.150 . 1 . . . . 268 ILE N . 19266 1 1102 . . 1 89 89 ILE HD11 H 1 0.832 0.004 . 1 . . . . 268 ILE HD1 . 19266 1 1103 . . 1 89 89 ILE HD12 H 1 0.832 0.004 . 1 . . . . 268 ILE HD1 . 19266 1 1104 . . 1 89 89 ILE HD13 H 1 0.832 0.004 . 1 . . . . 268 ILE HD1 . 19266 1 1105 . . 1 89 89 ILE HG21 H 1 0.855 0.007 . 1 . . . . 268 ILE HG2 . 19266 1 1106 . . 1 89 89 ILE HG22 H 1 0.855 0.007 . 1 . . . . 268 ILE HG2 . 19266 1 1107 . . 1 89 89 ILE HG23 H 1 0.855 0.007 . 1 . . . . 268 ILE HG2 . 19266 1 1108 . . 1 90 90 ILE C C 13 177.703 0.079 . 1 . . . . 269 ILE C . 19266 1 1109 . . 1 90 90 ILE CA C 13 66.263 0.221 . 1 . . . . 269 ILE CA . 19266 1 1110 . . 1 90 90 ILE CB C 13 37.391 0.482 . 1 . . . . 269 ILE CB . 19266 1 1111 . . 1 90 90 ILE CG2 C 13 17.541 0.026 . 1 . . . . 269 ILE CG2 . 19266 1 1112 . . 1 90 90 ILE H H 1 8.194 0.021 . 1 . . . . 269 ILE H . 19266 1 1113 . . 1 90 90 ILE HA H 1 3.547 0.011 . 1 . . . . 269 ILE HA . 19266 1 1114 . . 1 90 90 ILE HB H 1 2.058 0.020 . 1 . . . . 269 ILE HB . 19266 1 1115 . . 1 90 90 ILE HG12 H 1 1.937 0.009 . 2 . . . . 269 ILE HG12 . 19266 1 1116 . . 1 90 90 ILE HG13 H 1 1.018 0.001 . 2 . . . . 269 ILE HG13 . 19266 1 1117 . . 1 90 90 ILE N N 15 120.276 0.131 . 1 . . . . 269 ILE N . 19266 1 1118 . . 1 90 90 ILE HD11 H 1 0.817 0.003 . 1 . . . . 269 ILE HD1 . 19266 1 1119 . . 1 90 90 ILE HD12 H 1 0.817 0.003 . 1 . . . . 269 ILE HD1 . 19266 1 1120 . . 1 90 90 ILE HD13 H 1 0.817 0.003 . 1 . . . . 269 ILE HD1 . 19266 1 1121 . . 1 90 90 ILE HG21 H 1 0.851 0.010 . 1 . . . . 269 ILE HG2 . 19266 1 1122 . . 1 90 90 ILE HG22 H 1 0.851 0.010 . 1 . . . . 269 ILE HG2 . 19266 1 1123 . . 1 90 90 ILE HG23 H 1 0.851 0.010 . 1 . . . . 269 ILE HG2 . 19266 1 1124 . . 1 91 91 ILE C C 13 177.667 0.025 . 1 . . . . 270 ILE C . 19266 1 1125 . . 1 91 91 ILE CA C 13 66.082 0.395 . 1 . . . . 270 ILE CA . 19266 1 1126 . . 1 91 91 ILE CB C 13 37.342 0.445 . 1 . . . . 270 ILE CB . 19266 1 1127 . . 1 91 91 ILE CD1 C 13 13.805 0.163 . 1 . . . . 270 ILE CD1 . 19266 1 1128 . . 1 91 91 ILE CG1 C 13 29.544 0.097 . 1 . . . . 270 ILE CG1 . 19266 1 1129 . . 1 91 91 ILE CG2 C 13 16.949 0.163 . 1 . . . . 270 ILE CG2 . 19266 1 1130 . . 1 91 91 ILE H H 1 8.563 0.018 . 1 . . . . 270 ILE H . 19266 1 1131 . . 1 91 91 ILE HA H 1 3.518 0.010 . 1 . . . . 270 ILE HA . 19266 1 1132 . . 1 91 91 ILE HB H 1 2.045 0.007 . 1 . . . . 270 ILE HB . 19266 1 1133 . . 1 91 91 ILE HG12 H 1 1.900 0.009 . 2 . . . . 270 ILE HG12 . 19266 1 1134 . . 1 91 91 ILE HG13 H 1 1.025 0.006 . 2 . . . . 270 ILE HG13 . 19266 1 1135 . . 1 91 91 ILE N N 15 118.447 0.125 . 1 . . . . 270 ILE N . 19266 1 1136 . . 1 91 91 ILE HD11 H 1 0.846 0.012 . 1 . . . . 270 ILE HD1 . 19266 1 1137 . . 1 91 91 ILE HD12 H 1 0.846 0.012 . 1 . . . . 270 ILE HD1 . 19266 1 1138 . . 1 91 91 ILE HD13 H 1 0.846 0.012 . 1 . . . . 270 ILE HD1 . 19266 1 1139 . . 1 91 91 ILE HG21 H 1 0.856 0.011 . 1 . . . . 270 ILE HG2 . 19266 1 1140 . . 1 91 91 ILE HG22 H 1 0.856 0.011 . 1 . . . . 270 ILE HG2 . 19266 1 1141 . . 1 91 91 ILE HG23 H 1 0.856 0.011 . 1 . . . . 270 ILE HG2 . 19266 1 1142 . . 1 92 92 CYS C C 13 176.414 0.045 . 1 . . . . 271 CYS C . 19266 1 1143 . . 1 92 92 CYS CA C 13 64.957 0.271 . 1 . . . . 271 CYS CA . 19266 1 1144 . . 1 92 92 CYS CB C 13 26.969 0.149 . 1 . . . . 271 CYS CB . 19266 1 1145 . . 1 92 92 CYS H H 1 8.247 0.021 . 1 . . . . 271 CYS H . 19266 1 1146 . . 1 92 92 CYS HA H 1 3.974 0.010 . 1 . . . . 271 CYS HA . 19266 1 1147 . . 1 92 92 CYS HB2 H 1 3.204 0.008 . 2 . . . . 271 CYS HB2 . 19266 1 1148 . . 1 92 92 CYS HB3 H 1 2.616 0.014 . 2 . . . . 271 CYS HB3 . 19266 1 1149 . . 1 92 92 CYS N N 15 116.817 0.141 . 1 . . . . 271 CYS N . 19266 1 1150 . . 1 93 93 CYS C C 13 176.377 0.041 . 1 . . . . 272 CYS C . 19266 1 1151 . . 1 93 93 CYS CA C 13 64.853 0.272 . 1 . . . . 272 CYS CA . 19266 1 1152 . . 1 93 93 CYS CB C 13 26.896 0.210 . 1 . . . . 272 CYS CB . 19266 1 1153 . . 1 93 93 CYS H H 1 8.268 0.022 . 1 . . . . 272 CYS H . 19266 1 1154 . . 1 93 93 CYS HA H 1 3.992 0.008 . 1 . . . . 272 CYS HA . 19266 1 1155 . . 1 93 93 CYS HB2 H 1 3.228 0.010 . 2 . . . . 272 CYS HB2 . 19266 1 1156 . . 1 93 93 CYS HB3 H 1 2.512 0.006 . 2 . . . . 272 CYS HB3 . 19266 1 1157 . . 1 93 93 CYS N N 15 116.793 0.167 . 1 . . . . 272 CYS N . 19266 1 1158 . . 1 94 94 VAL C C 13 177.196 0.053 . 1 . . . . 273 VAL C . 19266 1 1159 . . 1 94 94 VAL CA C 13 66.849 0.160 . 1 . . . . 273 VAL CA . 19266 1 1160 . . 1 94 94 VAL CB C 13 31.230 0.453 . 1 . . . . 273 VAL CB . 19266 1 1161 . . 1 94 94 VAL CG1 C 13 23.081 0.130 . 2 . . . . 273 VAL CG1 . 19266 1 1162 . . 1 94 94 VAL CG2 C 13 21.358 0.065 . 2 . . . . 273 VAL CG2 . 19266 1 1163 . . 1 94 94 VAL H H 1 8.281 0.018 . 1 . . . . 273 VAL H . 19266 1 1164 . . 1 94 94 VAL HA H 1 3.508 0.007 . 1 . . . . 273 VAL HA . 19266 1 1165 . . 1 94 94 VAL HB H 1 2.243 0.010 . 1 . . . . 273 VAL HB . 19266 1 1166 . . 1 94 94 VAL N N 15 119.529 0.120 . 1 . . . . 273 VAL N . 19266 1 1167 . . 1 94 94 VAL HG11 H 1 0.980 0.008 . 2 . . . . 273 VAL HG1 . 19266 1 1168 . . 1 94 94 VAL HG12 H 1 0.980 0.008 . 2 . . . . 273 VAL HG1 . 19266 1 1169 . . 1 94 94 VAL HG13 H 1 0.980 0.008 . 2 . . . . 273 VAL HG1 . 19266 1 1170 . . 1 94 94 VAL HG21 H 1 0.839 0.007 . 2 . . . . 273 VAL HG2 . 19266 1 1171 . . 1 94 94 VAL HG22 H 1 0.839 0.007 . 2 . . . . 273 VAL HG2 . 19266 1 1172 . . 1 94 94 VAL HG23 H 1 0.839 0.007 . 2 . . . . 273 VAL HG2 . 19266 1 1173 . . 1 95 95 ILE C C 13 177.642 0.028 . 1 . . . . 274 ILE C . 19266 1 1174 . . 1 95 95 ILE CA C 13 65.645 0.372 . 1 . . . . 274 ILE CA . 19266 1 1175 . . 1 95 95 ILE CB C 13 36.918 0.545 . 1 . . . . 274 ILE CB . 19266 1 1176 . . 1 95 95 ILE CD1 C 13 13.130 0.078 . 1 . . . . 274 ILE CD1 . 19266 1 1177 . . 1 95 95 ILE CG1 C 13 29.337 0.129 . 1 . . . . 274 ILE CG1 . 19266 1 1178 . . 1 95 95 ILE CG2 C 13 17.122 0.163 . 1 . . . . 274 ILE CG2 . 19266 1 1179 . . 1 95 95 ILE H H 1 8.187 0.019 . 1 . . . . 274 ILE H . 19266 1 1180 . . 1 95 95 ILE HA H 1 3.539 0.029 . 1 . . . . 274 ILE HA . 19266 1 1181 . . 1 95 95 ILE HB H 1 1.962 0.010 . 1 . . . . 274 ILE HB . 19266 1 1182 . . 1 95 95 ILE HG12 H 1 1.824 0.039 . 2 . . . . 274 ILE HG12 . 19266 1 1183 . . 1 95 95 ILE HG13 H 1 1.028 0.007 . 2 . . . . 274 ILE HG13 . 19266 1 1184 . . 1 95 95 ILE N N 15 118.463 0.150 . 1 . . . . 274 ILE N . 19266 1 1185 . . 1 95 95 ILE HD11 H 1 0.754 0.010 . 1 . . . . 274 ILE HD1 . 19266 1 1186 . . 1 95 95 ILE HD12 H 1 0.754 0.010 . 1 . . . . 274 ILE HD1 . 19266 1 1187 . . 1 95 95 ILE HD13 H 1 0.754 0.010 . 1 . . . . 274 ILE HD1 . 19266 1 1188 . . 1 95 95 ILE HG21 H 1 0.833 0.008 . 1 . . . . 274 ILE HG2 . 19266 1 1189 . . 1 95 95 ILE HG22 H 1 0.833 0.008 . 1 . . . . 274 ILE HG2 . 19266 1 1190 . . 1 95 95 ILE HG23 H 1 0.833 0.008 . 1 . . . . 274 ILE HG2 . 19266 1 1191 . . 1 96 96 LEU C C 13 178.758 0.009 . 1 . . . . 275 LEU C . 19266 1 1192 . . 1 96 96 LEU CA C 13 58.358 0.249 . 1 . . . . 275 LEU CA . 19266 1 1193 . . 1 96 96 LEU CB C 13 41.568 0.294 . 1 . . . . 275 LEU CB . 19266 1 1194 . . 1 96 96 LEU CD1 C 13 24.343 0.070 . 1 . . . . 275 LEU CD1 . 19266 1 1195 . . 1 96 96 LEU CD2 C 13 24.146 0.050 . 1 . . . . 275 LEU CD2 . 19266 1 1196 . . 1 96 96 LEU CG C 13 26.999 0.095 . 1 . . . . 275 LEU CG . 19266 1 1197 . . 1 96 96 LEU H H 1 8.348 0.017 . 1 . . . . 275 LEU H . 19266 1 1198 . . 1 96 96 LEU HA H 1 3.965 0.010 . 1 . . . . 275 LEU HA . 19266 1 1199 . . 1 96 96 LEU HB2 H 1 1.783 0.005 . 2 . . . . 275 LEU HB2 . 19266 1 1200 . . 1 96 96 LEU HB3 H 1 1.559 0.008 . 2 . . . . 275 LEU HB3 . 19266 1 1201 . . 1 96 96 LEU HG H 1 1.766 0.007 . 1 . . . . 275 LEU HG . 19266 1 1202 . . 1 96 96 LEU N N 15 118.477 0.123 . 1 . . . . 275 LEU N . 19266 1 1203 . . 1 96 96 LEU HD11 H 1 0.827 0.005 . 2 . . . . 275 LEU HD1 . 19266 1 1204 . . 1 96 96 LEU HD12 H 1 0.827 0.005 . 2 . . . . 275 LEU HD1 . 19266 1 1205 . . 1 96 96 LEU HD13 H 1 0.827 0.005 . 2 . . . . 275 LEU HD1 . 19266 1 1206 . . 1 96 96 LEU HD21 H 1 0.796 0.005 . 2 . . . . 275 LEU HD2 . 19266 1 1207 . . 1 96 96 LEU HD22 H 1 0.796 0.005 . 2 . . . . 275 LEU HD2 . 19266 1 1208 . . 1 96 96 LEU HD23 H 1 0.796 0.005 . 2 . . . . 275 LEU HD2 . 19266 1 1209 . . 1 97 97 GLY C C 13 174.680 0.018 . 1 . . . . 276 GLY C . 19266 1 1210 . . 1 97 97 GLY CA C 13 47.573 0.251 . 1 . . . . 276 GLY CA . 19266 1 1211 . . 1 97 97 GLY H H 1 8.625 0.019 . 1 . . . . 276 GLY H . 19266 1 1212 . . 1 97 97 GLY N N 15 106.439 0.137 . 1 . . . . 276 GLY N . 19266 1 1213 . . 1 97 97 GLY HA2 H 1 3.585 0.016 . 2 . . . . 276 GLY HA . 19266 1 1214 . . 1 97 97 GLY HA3 H 1 3.585 0.016 . 2 . . . . 276 GLY HA . 19266 1 1215 . . 1 98 98 ILE C C 13 178.896 0.022 . 1 . . . . 277 ILE C . 19266 1 1216 . . 1 98 98 ILE CA C 13 65.852 0.242 . 1 . . . . 277 ILE CA . 19266 1 1217 . . 1 98 98 ILE CB C 13 37.514 0.440 . 1 . . . . 277 ILE CB . 19266 1 1218 . . 1 98 98 ILE CD1 C 13 13.758 0.061 . 1 . . . . 277 ILE CD1 . 19266 1 1219 . . 1 98 98 ILE CG1 C 13 29.479 0.105 . 1 . . . . 277 ILE CG1 . 19266 1 1220 . . 1 98 98 ILE CG2 C 13 17.373 0.066 . 1 . . . . 277 ILE CG2 . 19266 1 1221 . . 1 98 98 ILE H H 1 8.432 0.018 . 1 . . . . 277 ILE H . 19266 1 1222 . . 1 98 98 ILE HA H 1 3.635 0.009 . 1 . . . . 277 ILE HA . 19266 1 1223 . . 1 98 98 ILE HB H 1 2.067 0.011 . 1 . . . . 277 ILE HB . 19266 1 1224 . . 1 98 98 ILE HG12 H 1 1.934 0.013 . 2 . . . . 277 ILE HG12 . 19266 1 1225 . . 1 98 98 ILE HG13 H 1 0.990 0.014 . 2 . . . . 277 ILE HG13 . 19266 1 1226 . . 1 98 98 ILE N N 15 121.388 0.121 . 1 . . . . 277 ILE N . 19266 1 1227 . . 1 98 98 ILE HD11 H 1 0.775 0.031 . 1 . . . . 277 ILE HD1 . 19266 1 1228 . . 1 98 98 ILE HD12 H 1 0.775 0.031 . 1 . . . . 277 ILE HD1 . 19266 1 1229 . . 1 98 98 ILE HD13 H 1 0.775 0.031 . 1 . . . . 277 ILE HD1 . 19266 1 1230 . . 1 98 98 ILE HG21 H 1 0.847 0.007 . 1 . . . . 277 ILE HG2 . 19266 1 1231 . . 1 98 98 ILE HG22 H 1 0.847 0.007 . 1 . . . . 277 ILE HG2 . 19266 1 1232 . . 1 98 98 ILE HG23 H 1 0.847 0.007 . 1 . . . . 277 ILE HG2 . 19266 1 1233 . . 1 99 99 ILE C C 13 179.111 0.066 . 1 . . . . 278 ILE C . 19266 1 1234 . . 1 99 99 ILE CA C 13 66.047 0.189 . 1 . . . . 278 ILE CA . 19266 1 1235 . . 1 99 99 ILE CB C 13 37.667 0.288 . 1 . . . . 278 ILE CB . 19266 1 1236 . . 1 99 99 ILE CD1 C 13 13.731 0.049 . 1 . . . . 278 ILE CD1 . 19266 1 1237 . . 1 99 99 ILE CG1 C 13 29.513 0.144 . 1 . . . . 278 ILE CG1 . 19266 1 1238 . . 1 99 99 ILE CG2 C 13 17.408 0.096 . 1 . . . . 278 ILE CG2 . 19266 1 1239 . . 1 99 99 ILE H H 1 8.409 0.015 . 1 . . . . 278 ILE H . 19266 1 1240 . . 1 99 99 ILE HA H 1 3.583 0.012 . 1 . . . . 278 ILE HA . 19266 1 1241 . . 1 99 99 ILE HB H 1 2.067 0.014 . 1 . . . . 278 ILE HB . 19266 1 1242 . . 1 99 99 ILE HG12 H 1 1.902 0.017 . 2 . . . . 278 ILE HG12 . 19266 1 1243 . . 1 99 99 ILE HG13 H 1 1.017 0.012 . 2 . . . . 278 ILE HG13 . 19266 1 1244 . . 1 99 99 ILE N N 15 122.150 0.125 . 1 . . . . 278 ILE N . 19266 1 1245 . . 1 99 99 ILE HD11 H 1 0.814 0.012 . 1 . . . . 278 ILE QD1 . 19266 1 1246 . . 1 99 99 ILE HD12 H 1 0.814 0.012 . 1 . . . . 278 ILE QD1 . 19266 1 1247 . . 1 99 99 ILE HD13 H 1 0.814 0.012 . 1 . . . . 278 ILE QD1 . 19266 1 1248 . . 1 99 99 ILE HG21 H 1 0.852 0.008 . 1 . . . . 278 ILE QG2 . 19266 1 1249 . . 1 99 99 ILE HG22 H 1 0.852 0.008 . 1 . . . . 278 ILE QG2 . 19266 1 1250 . . 1 99 99 ILE HG23 H 1 0.852 0.008 . 1 . . . . 278 ILE QG2 . 19266 1 1251 . . 1 100 100 ILE C C 13 177.834 0.038 . 1 . . . . 279 ILE C . 19266 1 1252 . . 1 100 100 ILE CA C 13 66.021 0.218 . 1 . . . . 279 ILE CA . 19266 1 1253 . . 1 100 100 ILE CB C 13 37.514 0.359 . 1 . . . . 279 ILE CB . 19266 1 1254 . . 1 100 100 ILE CD1 C 13 13.366 0.091 . 1 . . . . 279 ILE CD1 . 19266 1 1255 . . 1 100 100 ILE CG1 C 13 29.462 0.117 . 1 . . . . 279 ILE CG1 . 19266 1 1256 . . 1 100 100 ILE CG2 C 13 17.459 0.045 . 1 . . . . 279 ILE CG2 . 19266 1 1257 . . 1 100 100 ILE H H 1 8.880 0.019 . 1 . . . . 279 ILE H . 19266 1 1258 . . 1 100 100 ILE HA H 1 3.571 0.012 . 1 . . . . 279 ILE HA . 19266 1 1259 . . 1 100 100 ILE HB H 1 1.953 0.014 . 1 . . . . 279 ILE HB . 19266 1 1260 . . 1 100 100 ILE HG12 H 1 1.851 0.027 . 2 . . . . 279 ILE HG12 . 19266 1 1261 . . 1 100 100 ILE HG13 H 1 1.009 0.010 . 2 . . . . 279 ILE HG13 . 19266 1 1262 . . 1 100 100 ILE N N 15 121.749 0.133 . 1 . . . . 279 ILE N . 19266 1 1263 . . 1 100 100 ILE HD11 H 1 0.767 0.007 . 1 . . . . 279 ILE HD1 . 19266 1 1264 . . 1 100 100 ILE HD12 H 1 0.767 0.007 . 1 . . . . 279 ILE HD1 . 19266 1 1265 . . 1 100 100 ILE HD13 H 1 0.767 0.007 . 1 . . . . 279 ILE HD1 . 19266 1 1266 . . 1 100 100 ILE HG21 H 1 0.846 0.007 . 1 . . . . 279 ILE HG2 . 19266 1 1267 . . 1 100 100 ILE HG22 H 1 0.846 0.007 . 1 . . . . 279 ILE HG2 . 19266 1 1268 . . 1 100 100 ILE HG23 H 1 0.846 0.007 . 1 . . . . 279 ILE HG2 . 19266 1 1269 . . 1 101 101 ALA C C 13 179.122 0.015 . 1 . . . . 280 ALA C . 19266 1 1270 . . 1 101 101 ALA CA C 13 55.524 0.182 . 1 . . . . 280 ALA CA . 19266 1 1271 . . 1 101 101 ALA CB C 13 18.533 0.320 . 1 . . . . 280 ALA CB . 19266 1 1272 . . 1 101 101 ALA H H 1 8.828 0.016 . 1 . . . . 280 ALA H . 19266 1 1273 . . 1 101 101 ALA HA H 1 3.922 0.006 . 1 . . . . 280 ALA HA . 19266 1 1274 . . 1 101 101 ALA N N 15 121.381 0.139 . 1 . . . . 280 ALA N . 19266 1 1275 . . 1 101 101 ALA HB1 H 1 1.454 0.006 . 1 . . . . 280 ALA HB . 19266 1 1276 . . 1 101 101 ALA HB2 H 1 1.454 0.006 . 1 . . . . 280 ALA HB . 19266 1 1277 . . 1 101 101 ALA HB3 H 1 1.454 0.006 . 1 . . . . 280 ALA HB . 19266 1 1278 . . 1 102 102 SER C C 13 175.311 0.052 . 1 . . . . 281 SER C . 19266 1 1279 . . 1 102 102 SER CA C 13 61.913 0.216 . 1 . . . . 281 SER CA . 19266 1 1280 . . 1 102 102 SER CB C 13 63.680 0.286 . 1 . . . . 281 SER CB . 19266 1 1281 . . 1 102 102 SER H H 1 8.223 0.014 . 1 . . . . 281 SER H . 19266 1 1282 . . 1 102 102 SER HA H 1 4.189 0.012 . 1 . . . . 281 SER HA . 19266 1 1283 . . 1 102 102 SER HB2 H 1 3.986 0.012 . 2 . . . . 281 SER HB2 . 19266 1 1284 . . 1 102 102 SER HB3 H 1 3.798 0.019 . 2 . . . . 281 SER HB3 . 19266 1 1285 . . 1 102 102 SER N N 15 110.877 0.109 . 1 . . . . 281 SER N . 19266 1 1286 . . 1 103 103 THR C C 13 176.463 0.036 . 1 . . . . 282 THR C . 19266 1 1287 . . 1 103 103 THR CA C 13 64.916 0.153 . 1 . . . . 282 THR CA . 19266 1 1288 . . 1 103 103 THR CB C 13 69.227 0.231 . 1 . . . . 282 THR CB . 19266 1 1289 . . 1 103 103 THR CG2 C 13 21.848 0.075 . 1 . . . . 282 THR CG2 . 19266 1 1290 . . 1 103 103 THR H H 1 7.854 0.016 . 1 . . . . 282 THR H . 19266 1 1291 . . 1 103 103 THR HA H 1 4.222 0.012 . 1 . . . . 282 THR HA . 19266 1 1292 . . 1 103 103 THR HB H 1 4.218 0.010 . 1 . . . . 282 THR HB . 19266 1 1293 . . 1 103 103 THR N N 15 114.883 0.113 . 1 . . . . 282 THR N . 19266 1 1294 . . 1 103 103 THR HG21 H 1 1.238 0.006 . 1 . . . . 282 THR HG2 . 19266 1 1295 . . 1 103 103 THR HG22 H 1 1.238 0.006 . 1 . . . . 282 THR HG2 . 19266 1 1296 . . 1 103 103 THR HG23 H 1 1.238 0.006 . 1 . . . . 282 THR HG2 . 19266 1 1297 . . 1 104 104 ILE C C 13 176.934 0.043 . 1 . . . . 283 ILE C . 19266 1 1298 . . 1 104 104 ILE CA C 13 63.229 0.165 . 1 . . . . 283 ILE CA . 19266 1 1299 . . 1 104 104 ILE CB C 13 37.993 0.416 . 1 . . . . 283 ILE CB . 19266 1 1300 . . 1 104 104 ILE CD1 C 13 13.600 0.079 . 1 . . . . 283 ILE CD1 . 19266 1 1301 . . 1 104 104 ILE CG1 C 13 28.216 0.124 . 1 . . . . 283 ILE CG1 . 19266 1 1302 . . 1 104 104 ILE CG2 C 13 17.732 0.046 . 1 . . . . 283 ILE CG2 . 19266 1 1303 . . 1 104 104 ILE H H 1 8.222 0.015 . 1 . . . . 283 ILE H . 19266 1 1304 . . 1 104 104 ILE HA H 1 4.060 0.006 . 1 . . . . 283 ILE HA . 19266 1 1305 . . 1 104 104 ILE HB H 1 1.995 0.007 . 1 . . . . 283 ILE HB . 19266 1 1306 . . 1 104 104 ILE HG12 H 1 1.627 0.009 . 2 . . . . 283 ILE HG12 . 19266 1 1307 . . 1 104 104 ILE HG13 H 1 1.290 0.011 . 2 . . . . 283 ILE HG13 . 19266 1 1308 . . 1 104 104 ILE N N 15 119.990 0.112 . 1 . . . . 283 ILE N . 19266 1 1309 . . 1 104 104 ILE HD11 H 1 0.827 0.008 . 1 . . . . 283 ILE HD1 . 19266 1 1310 . . 1 104 104 ILE HD12 H 1 0.827 0.008 . 1 . . . . 283 ILE HD1 . 19266 1 1311 . . 1 104 104 ILE HD13 H 1 0.827 0.008 . 1 . . . . 283 ILE HD1 . 19266 1 1312 . . 1 104 104 ILE HG21 H 1 0.950 0.012 . 1 . . . . 283 ILE HG2 . 19266 1 1313 . . 1 104 104 ILE HG22 H 1 0.950 0.012 . 1 . . . . 283 ILE HG2 . 19266 1 1314 . . 1 104 104 ILE HG23 H 1 0.950 0.012 . 1 . . . . 283 ILE HG2 . 19266 1 1315 . . 1 105 105 GLY C C 13 174.100 0.026 . 1 . . . . 284 GLY C . 19266 1 1316 . . 1 105 105 GLY CA C 13 46.073 0.205 . 1 . . . . 284 GLY CA . 19266 1 1317 . . 1 105 105 GLY H H 1 8.116 0.013 . 1 . . . . 284 GLY H . 19266 1 1318 . . 1 105 105 GLY HA2 H 1 3.960 0.021 . 2 . . . . 284 GLY HA2 . 19266 1 1319 . . 1 105 105 GLY HA3 H 1 3.824 0.011 . 2 . . . . 284 GLY HA3 . 19266 1 1320 . . 1 105 105 GLY N N 15 106.405 0.131 . 1 . . . . 284 GLY N . 19266 1 1321 . . 1 106 106 GLY C C 13 175.550 0.006 . 1 . . . . 285 GLY C . 19266 1 1322 . . 1 106 106 GLY CA C 13 46.052 0.219 . 1 . . . . 285 GLY CA . 19266 1 1323 . . 1 106 106 GLY H H 1 7.845 0.019 . 1 . . . . 285 GLY H . 19266 1 1324 . . 1 106 106 GLY N N 15 106.212 0.108 . 1 . . . . 285 GLY N . 19266 1 1325 . . 1 106 106 GLY HA2 H 1 3.964 0.008 . 2 . . . . 285 GLY HA . 19266 1 1326 . . 1 106 106 GLY HA3 H 1 3.964 0.008 . 2 . . . . 285 GLY HA . 19266 1 1327 . . 1 107 107 ILE C C 13 175.376 0.018 . 1 . . . . 286 ILE C . 19266 1 1328 . . 1 107 107 ILE CA C 13 63.071 0.252 . 1 . . . . 286 ILE CA . 19266 1 1329 . . 1 107 107 ILE CB C 13 38.006 0.260 . 1 . . . . 286 ILE CB . 19266 1 1330 . . 1 107 107 ILE CD1 C 13 13.223 0.039 . 1 . . . . 286 ILE CD1 . 19266 1 1331 . . 1 107 107 ILE CG1 C 13 27.686 0.084 . 1 . . . . 286 ILE CG1 . 19266 1 1332 . . 1 107 107 ILE CG2 C 13 17.436 0.039 . 1 . . . . 286 ILE CG2 . 19266 1 1333 . . 1 107 107 ILE H H 1 7.720 0.014 . 1 . . . . 286 ILE H . 19266 1 1334 . . 1 107 107 ILE HA H 1 3.849 0.004 . 1 . . . . 286 ILE HA . 19266 1 1335 . . 1 107 107 ILE HB H 1 1.583 0.005 . 1 . . . . 286 ILE HB . 19266 1 1336 . . 1 107 107 ILE HG12 H 1 1.143 0.009 . 2 . . . . 286 ILE HG12 . 19266 1 1337 . . 1 107 107 ILE HG13 H 1 1.001 0.011 . 2 . . . . 286 ILE HG13 . 19266 1 1338 . . 1 107 107 ILE N N 15 117.370 0.103 . 1 . . . . 286 ILE N . 19266 1 1339 . . 1 107 107 ILE HD11 H 1 0.681 0.004 . 1 . . . . 286 ILE HD1 . 19266 1 1340 . . 1 107 107 ILE HD12 H 1 0.681 0.004 . 1 . . . . 286 ILE HD1 . 19266 1 1341 . . 1 107 107 ILE HD13 H 1 0.681 0.004 . 1 . . . . 286 ILE HD1 . 19266 1 1342 . . 1 107 107 ILE HG21 H 1 0.427 0.004 . 1 . . . . 286 ILE HG2 . 19266 1 1343 . . 1 107 107 ILE HG22 H 1 0.427 0.004 . 1 . . . . 286 ILE HG2 . 19266 1 1344 . . 1 107 107 ILE HG23 H 1 0.427 0.004 . 1 . . . . 286 ILE HG2 . 19266 1 1345 . . 1 108 108 PHE C C 13 175.096 0.023 . 1 . . . . 287 PHE C . 19266 1 1346 . . 1 108 108 PHE CA C 13 57.297 0.151 . 1 . . . . 287 PHE CA . 19266 1 1347 . . 1 108 108 PHE CB C 13 39.358 0.202 . 1 . . . . 287 PHE CB . 19266 1 1348 . . 1 108 108 PHE CD1 C 13 131.904 0.163 . 3 . . . . 287 PHE CD1 . 19266 1 1349 . . 1 108 108 PHE CE1 C 13 130.951 0.163 . 3 . . . . 287 PHE CE1 . 19266 1 1350 . . 1 108 108 PHE CZ C 13 128.716 0.163 . 1 . . . . 287 PHE CZ . 19266 1 1351 . . 1 108 108 PHE H H 1 8.079 0.019 . 1 . . . . 287 PHE H . 19266 1 1352 . . 1 108 108 PHE HA H 1 4.708 0.004 . 1 . . . . 287 PHE HA . 19266 1 1353 . . 1 108 108 PHE HB2 H 1 3.355 0.007 . 2 . . . . 287 PHE HB2 . 19266 1 1354 . . 1 108 108 PHE HB3 H 1 2.918 0.006 . 2 . . . . 287 PHE HB3 . 19266 1 1355 . . 1 108 108 PHE HZ H 1 7.042 0.003 . 1 . . . . 287 PHE HZ . 19266 1 1356 . . 1 108 108 PHE N N 15 117.041 0.128 . 1 . . . . 287 PHE N . 19266 1 1357 . . 1 108 108 PHE HD1 H 1 7.309 0.008 . 3 . . . . 287 PHE HD . 19266 1 1358 . . 1 108 108 PHE HD2 H 1 7.309 0.008 . 3 . . . . 287 PHE HD . 19266 1 1359 . . 1 108 108 PHE HE1 H 1 7.202 0.006 . 3 . . . . 287 PHE HE . 19266 1 1360 . . 1 108 108 PHE HE2 H 1 7.202 0.006 . 3 . . . . 287 PHE HE . 19266 1 1361 . . 1 109 109 GLY C C 13 178.352 0.163 . 1 . . . . 288 GLY C . 19266 1 1362 . . 1 109 109 GLY CA C 13 46.171 0.172 . 1 . . . . 288 GLY CA . 19266 1 1363 . . 1 109 109 GLY H H 1 7.652 0.016 . 1 . . . . 288 GLY H . 19266 1 1364 . . 1 109 109 GLY HA2 H 1 3.839 0.007 . 2 . . . . 288 GLY HA2 . 19266 1 1365 . . 1 109 109 GLY HA3 H 1 3.686 0.008 . 2 . . . . 288 GLY HA3 . 19266 1 1366 . . 1 109 109 GLY N N 15 113.614 0.142 . 1 . . . . 288 GLY N . 19266 1 stop_ save_