data_5332 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5332 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for E85Q recoverin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-03-20 _Entry.Accession_date 2002-03-21 _Entry.Last_release_date 2002-06-13 _Entry.Original_release_date 2002-06-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 James Ames . B. . 5332 2 N. Hamasaki . . . 5332 3 T. Molchanova . . . 5332 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5332 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 540 5332 '13C chemical shifts' 523 5332 '15N chemical shifts' 170 5332 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 1 . . 2002-06-13 2002-03-20 original author . 5332 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5332 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21976996 _Citation.DOI . _Citation.PubMed_ID 11980481 _Citation.Full_citation . _Citation.Title ; Structure and Calcium-binding Studies of a Recoverin Mutant (E85Q) in an Allosteric Intermediate State ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 18 _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 5776 _Citation.Page_last 5787 _Citation.Year 2002 _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 James Ames . B. . 5332 1 2 N. Hamasaki . . . 5332 1 3 T. Molchanova . . . 5332 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Recoverin 5332 1 EF-hand 5332 1 vision 5332 1 calcium 5332 1 'Ca2+-myristoyl switch' 5332 1 E85Q 5332 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_E85Q _Assembly.Sf_category assembly _Assembly.Sf_framecode system_E85Q _Assembly.Entry_ID 5332 _Assembly.ID 1 _Assembly.Name 'recoverin mutant, E85Q' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Residue Glu-85 has been replaced by a Gln in the molecule studied here.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5332 1 stop_ 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 'recoverin mutant E85Q' 1 $E85Q . . . native . . . . . 5332 1 2 'Ca++, I' 2 $CA . . . native . . . . . 5332 1 3 'Ca++, II' 2 $CA . . . native . . . . . 5332 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1JSA . . . . . . 5332 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'recoverin mutant, E85Q' system 5332 1 E85Q abbreviation 5332 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'rhodopsin kinase inhibitor' 5332 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E85Q _Entity.Sf_category entity _Entity.Sf_framecode E85Q _Entity.Entry_ID 5332 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Recoverin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XGNSKSGALSKEILEELQLN TKFTEEELSSWYQSFLKECP SGRITRQEFQTIYSKFFPEA DPKAYAQHVFRSFDANSDGT LDFKEYVIALHMTSAGKTNQ KLEWAFSLYDVDGNGTISKN EVLEIVTAIFKMISPEDTKH LPEDENTPEKRAEKIWGFFG KKDDDKLTEKEFIEGTLANK EILRLIQFEPQKVKEKLKEK KL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 202 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23333.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 4030 . apo-recoverin . . . . . 99.50 202 100.00 100.00 6.73e-143 . . . . 5332 1 2 no PDB 1IKU . "Myristoylated Recoverin In The Calcium-Free State, Nmr, 22 Structures" . . . . . 99.50 201 100.00 100.00 6.50e-143 . . . . 5332 1 3 no PDB 1JSA . "Myristoylated Recoverin With Two Calciums Bound, Nmr, 24 Structures" . . . . . 99.01 201 100.00 100.00 7.61e-142 . . . . 5332 1 4 no PDB 1LA3 . "Solution Structure Of Recoverin Mutant, E85q" . . . . . 99.01 201 99.50 100.00 1.57e-141 . . . . 5332 1 5 no PDB 1OMR . "Non-Myristoylated Wild-Type Bovine Recoverin With Calcium Bound To Ef- Hand 3" . . . . . 99.50 201 100.00 100.00 6.50e-143 . . . . 5332 1 6 no PDB 1OMV . "Non-Myristoylated Bovine Recoverin (E85q Mutant) With Calcium Bound To Ef-Hand 3" . . . . . 99.50 201 99.50 100.00 2.03e-142 . . . . 5332 1 7 no PDB 1REC . "Three-Dimensional Structure Of Recoverin, A Calcium Sensor In Vision" . . . . . 99.50 201 100.00 100.00 6.50e-143 . . . . 5332 1 8 no PDB 2HET . "Non-Myristoylated Bovine Recoverin (Truncated At C-Terminus) With Calcium Bound To Ef-Hand 3" . . . . . 93.56 189 100.00 100.00 6.42e-135 . . . . 5332 1 9 no PDB 2I94 . "Nmr Structure Of Recoverin Bound To Rhodopsin Kinase" . . . . . 99.50 202 100.00 100.00 5.23e-143 . . . . 5332 1 10 no PDB 4M2O . "Crystal Structure Of A Non-myristoylated C39a Recoverin Mutant With One Calcium Ion Bound To Ef-hand 3" . . . . . 97.03 196 99.49 99.49 2.25e-138 . . . . 5332 1 11 no PDB 4M2P . "Crystal Structure Of A Non-myristoylated C39d Recoverin Mutant With One Calcium Ion Bound To Ef-hand 3" . . . . . 99.50 201 99.50 99.50 6.64e-141 . . . . 5332 1 12 no PDB 4M2Q . "Crystal Structure Of Non-myristoylated Recoverin With Cysteine-39 Oxidized To Sulfenic Acid" . . . . . 99.50 201 99.50 99.50 3.37e-141 . . . . 5332 1 13 no PDB 4MLW . "Crystal Structure Of Non-myristoylated Recoverin At 1.45 A Resolution With Calcium Bound To Ef-hand 3" . . . . . 99.50 201 100.00 100.00 6.50e-143 . . . . 5332 1 14 no EMBL CAA44928 . "P26-calcium binding protein [Bos taurus]" . . . . . 99.50 202 100.00 100.00 5.23e-143 . . . . 5332 1 15 no GB AAB59256 . "recoverin [Bos taurus]" . . . . . 99.50 202 100.00 100.00 5.23e-143 . . . . 5332 1 16 no GB ELR47741 . "Recoverin [Bos mutus]" . . . . . 99.01 202 99.50 99.50 6.03e-141 . . . . 5332 1 17 no PRF 1802271A . "Ca-binding protein P26" . . . . . 99.50 202 100.00 100.00 5.23e-143 . . . . 5332 1 18 no REF NP_776590 . "recoverin [Bos taurus]" . . . . . 99.50 202 100.00 100.00 5.23e-143 . . . . 5332 1 19 no REF XP_004012748 . "PREDICTED: recoverin [Ovis aries]" . . . . . 99.01 202 98.00 99.00 3.19e-139 . . . . 5332 1 20 no REF XP_005693626 . "PREDICTED: recoverin [Capra hircus]" . . . . . 99.01 202 97.50 99.00 7.91e-139 . . . . 5332 1 21 no REF XP_005907603 . "PREDICTED: recoverin [Bos mutus]" . . . . . 99.01 202 99.50 99.50 6.03e-141 . . . . 5332 1 22 no REF XP_005959860 . "PREDICTED: recoverin [Pantholops hodgsonii]" . . . . . 99.01 202 97.50 98.50 1.86e-138 . . . . 5332 1 23 no SP P21457 . "RecName: Full=Recoverin; AltName: Full=p26 [Bos taurus]" . . . . . 99.50 202 100.00 100.00 5.23e-143 . . . . 5332 1 24 no TPG DAA18803 . "TPA: recoverin [Bos taurus]" . . . . . 99.50 202 100.00 100.00 5.23e-143 . . . . 5332 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Recoverin common 5332 1 E85Q variant 5332 1 Recoverin abbreviation 5332 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 . MYR . 5332 1 2 . GLY . 5332 1 3 . ASN . 5332 1 4 . SER . 5332 1 5 . LYS . 5332 1 6 . SER . 5332 1 7 . GLY . 5332 1 8 . ALA . 5332 1 9 . LEU . 5332 1 10 . SER . 5332 1 11 . LYS . 5332 1 12 . GLU . 5332 1 13 . ILE . 5332 1 14 . LEU . 5332 1 15 . GLU . 5332 1 16 . GLU . 5332 1 17 . LEU . 5332 1 18 . GLN . 5332 1 19 . LEU . 5332 1 20 . ASN . 5332 1 21 . THR . 5332 1 22 . LYS . 5332 1 23 . PHE . 5332 1 24 . THR . 5332 1 25 . GLU . 5332 1 26 . GLU . 5332 1 27 . GLU . 5332 1 28 . LEU . 5332 1 29 . SER . 5332 1 30 . SER . 5332 1 31 . TRP . 5332 1 32 . TYR . 5332 1 33 . GLN . 5332 1 34 . SER . 5332 1 35 . PHE . 5332 1 36 . LEU . 5332 1 37 . LYS . 5332 1 38 . GLU . 5332 1 39 . CYS . 5332 1 40 . PRO . 5332 1 41 . SER . 5332 1 42 . GLY . 5332 1 43 . ARG . 5332 1 44 . ILE . 5332 1 45 . THR . 5332 1 46 . ARG . 5332 1 47 . GLN . 5332 1 48 . GLU . 5332 1 49 . PHE . 5332 1 50 . GLN . 5332 1 51 . THR . 5332 1 52 . ILE . 5332 1 53 . TYR . 5332 1 54 . SER . 5332 1 55 . LYS . 5332 1 56 . PHE . 5332 1 57 . PHE . 5332 1 58 . PRO . 5332 1 59 . GLU . 5332 1 60 . ALA . 5332 1 61 . ASP . 5332 1 62 . PRO . 5332 1 63 . LYS . 5332 1 64 . ALA . 5332 1 65 . TYR . 5332 1 66 . ALA . 5332 1 67 . GLN . 5332 1 68 . HIS . 5332 1 69 . VAL . 5332 1 70 . PHE . 5332 1 71 . ARG . 5332 1 72 . SER . 5332 1 73 . PHE . 5332 1 74 . ASP . 5332 1 75 . ALA . 5332 1 76 . ASN . 5332 1 77 . SER . 5332 1 78 . ASP . 5332 1 79 . GLY . 5332 1 80 . THR . 5332 1 81 . LEU . 5332 1 82 . ASP . 5332 1 83 . PHE . 5332 1 84 . LYS . 5332 1 85 . GLU . 5332 1 86 . TYR . 5332 1 87 . VAL . 5332 1 88 . ILE . 5332 1 89 . ALA . 5332 1 90 . LEU . 5332 1 91 . HIS . 5332 1 92 . MET . 5332 1 93 . THR . 5332 1 94 . SER . 5332 1 95 . ALA . 5332 1 96 . GLY . 5332 1 97 . LYS . 5332 1 98 . THR . 5332 1 99 . ASN . 5332 1 100 . GLN . 5332 1 101 . LYS . 5332 1 102 . LEU . 5332 1 103 . GLU . 5332 1 104 . TRP . 5332 1 105 . ALA . 5332 1 106 . PHE . 5332 1 107 . SER . 5332 1 108 . LEU . 5332 1 109 . TYR . 5332 1 110 . ASP . 5332 1 111 . VAL . 5332 1 112 . ASP . 5332 1 113 . GLY . 5332 1 114 . ASN . 5332 1 115 . GLY . 5332 1 116 . THR . 5332 1 117 . ILE . 5332 1 118 . SER . 5332 1 119 . LYS . 5332 1 120 . ASN . 5332 1 121 . GLU . 5332 1 122 . VAL . 5332 1 123 . LEU . 5332 1 124 . GLU . 5332 1 125 . ILE . 5332 1 126 . VAL . 5332 1 127 . THR . 5332 1 128 . ALA . 5332 1 129 . ILE . 5332 1 130 . PHE . 5332 1 131 . LYS . 5332 1 132 . MET . 5332 1 133 . ILE . 5332 1 134 . SER . 5332 1 135 . PRO . 5332 1 136 . GLU . 5332 1 137 . ASP . 5332 1 138 . THR . 5332 1 139 . LYS . 5332 1 140 . HIS . 5332 1 141 . LEU . 5332 1 142 . PRO . 5332 1 143 . GLU . 5332 1 144 . ASP . 5332 1 145 . GLU . 5332 1 146 . ASN . 5332 1 147 . THR . 5332 1 148 . PRO . 5332 1 149 . GLU . 5332 1 150 . LYS . 5332 1 151 . ARG . 5332 1 152 . ALA . 5332 1 153 . GLU . 5332 1 154 . LYS . 5332 1 155 . ILE . 5332 1 156 . TRP . 5332 1 157 . GLY . 5332 1 158 . PHE . 5332 1 159 . PHE . 5332 1 160 . GLY . 5332 1 161 . LYS . 5332 1 162 . LYS . 5332 1 163 . ASP . 5332 1 164 . ASP . 5332 1 165 . ASP . 5332 1 166 . LYS . 5332 1 167 . LEU . 5332 1 168 . THR . 5332 1 169 . GLU . 5332 1 170 . LYS . 5332 1 171 . GLU . 5332 1 172 . PHE . 5332 1 173 . ILE . 5332 1 174 . GLU . 5332 1 175 . GLY . 5332 1 176 . THR . 5332 1 177 . LEU . 5332 1 178 . ALA . 5332 1 179 . ASN . 5332 1 180 . LYS . 5332 1 181 . GLU . 5332 1 182 . ILE . 5332 1 183 . LEU . 5332 1 184 . ARG . 5332 1 185 . LEU . 5332 1 186 . ILE . 5332 1 187 . GLN . 5332 1 188 . PHE . 5332 1 189 . GLU . 5332 1 190 . PRO . 5332 1 191 . GLN . 5332 1 192 . LYS . 5332 1 193 . VAL . 5332 1 194 . LYS . 5332 1 195 . GLU . 5332 1 196 . LYS . 5332 1 197 . LEU . 5332 1 198 . LYS . 5332 1 199 . GLU . 5332 1 200 . LYS . 5332 1 201 . LYS . 5332 1 202 . LEU . 5332 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 . MYR 1 1 5332 1 . GLY 2 2 5332 1 . ASN 3 3 5332 1 . SER 4 4 5332 1 . LYS 5 5 5332 1 . SER 6 6 5332 1 . GLY 7 7 5332 1 . ALA 8 8 5332 1 . LEU 9 9 5332 1 . SER 10 10 5332 1 . LYS 11 11 5332 1 . GLU 12 12 5332 1 . ILE 13 13 5332 1 . LEU 14 14 5332 1 . GLU 15 15 5332 1 . GLU 16 16 5332 1 . LEU 17 17 5332 1 . GLN 18 18 5332 1 . LEU 19 19 5332 1 . ASN 20 20 5332 1 . THR 21 21 5332 1 . LYS 22 22 5332 1 . PHE 23 23 5332 1 . THR 24 24 5332 1 . GLU 25 25 5332 1 . GLU 26 26 5332 1 . GLU 27 27 5332 1 . LEU 28 28 5332 1 . SER 29 29 5332 1 . SER 30 30 5332 1 . TRP 31 31 5332 1 . TYR 32 32 5332 1 . GLN 33 33 5332 1 . SER 34 34 5332 1 . PHE 35 35 5332 1 . LEU 36 36 5332 1 . LYS 37 37 5332 1 . GLU 38 38 5332 1 . CYS 39 39 5332 1 . PRO 40 40 5332 1 . SER 41 41 5332 1 . GLY 42 42 5332 1 . ARG 43 43 5332 1 . ILE 44 44 5332 1 . THR 45 45 5332 1 . ARG 46 46 5332 1 . GLN 47 47 5332 1 . GLU 48 48 5332 1 . PHE 49 49 5332 1 . GLN 50 50 5332 1 . THR 51 51 5332 1 . ILE 52 52 5332 1 . TYR 53 53 5332 1 . SER 54 54 5332 1 . LYS 55 55 5332 1 . PHE 56 56 5332 1 . PHE 57 57 5332 1 . PRO 58 58 5332 1 . GLU 59 59 5332 1 . ALA 60 60 5332 1 . ASP 61 61 5332 1 . PRO 62 62 5332 1 . LYS 63 63 5332 1 . ALA 64 64 5332 1 . TYR 65 65 5332 1 . ALA 66 66 5332 1 . GLN 67 67 5332 1 . HIS 68 68 5332 1 . VAL 69 69 5332 1 . PHE 70 70 5332 1 . ARG 71 71 5332 1 . SER 72 72 5332 1 . PHE 73 73 5332 1 . ASP 74 74 5332 1 . ALA 75 75 5332 1 . ASN 76 76 5332 1 . SER 77 77 5332 1 . ASP 78 78 5332 1 . GLY 79 79 5332 1 . THR 80 80 5332 1 . LEU 81 81 5332 1 . ASP 82 82 5332 1 . PHE 83 83 5332 1 . LYS 84 84 5332 1 . GLU 85 85 5332 1 . TYR 86 86 5332 1 . VAL 87 87 5332 1 . ILE 88 88 5332 1 . ALA 89 89 5332 1 . LEU 90 90 5332 1 . HIS 91 91 5332 1 . MET 92 92 5332 1 . THR 93 93 5332 1 . SER 94 94 5332 1 . ALA 95 95 5332 1 . GLY 96 96 5332 1 . LYS 97 97 5332 1 . THR 98 98 5332 1 . ASN 99 99 5332 1 . GLN 100 100 5332 1 . LYS 101 101 5332 1 . LEU 102 102 5332 1 . GLU 103 103 5332 1 . TRP 104 104 5332 1 . ALA 105 105 5332 1 . PHE 106 106 5332 1 . SER 107 107 5332 1 . LEU 108 108 5332 1 . TYR 109 109 5332 1 . ASP 110 110 5332 1 . VAL 111 111 5332 1 . ASP 112 112 5332 1 . GLY 113 113 5332 1 . ASN 114 114 5332 1 . GLY 115 115 5332 1 . THR 116 116 5332 1 . ILE 117 117 5332 1 . SER 118 118 5332 1 . LYS 119 119 5332 1 . ASN 120 120 5332 1 . GLU 121 121 5332 1 . VAL 122 122 5332 1 . LEU 123 123 5332 1 . GLU 124 124 5332 1 . ILE 125 125 5332 1 . VAL 126 126 5332 1 . THR 127 127 5332 1 . ALA 128 128 5332 1 . ILE 129 129 5332 1 . PHE 130 130 5332 1 . LYS 131 131 5332 1 . MET 132 132 5332 1 . ILE 133 133 5332 1 . SER 134 134 5332 1 . PRO 135 135 5332 1 . GLU 136 136 5332 1 . ASP 137 137 5332 1 . THR 138 138 5332 1 . LYS 139 139 5332 1 . HIS 140 140 5332 1 . LEU 141 141 5332 1 . PRO 142 142 5332 1 . GLU 143 143 5332 1 . ASP 144 144 5332 1 . GLU 145 145 5332 1 . ASN 146 146 5332 1 . THR 147 147 5332 1 . PRO 148 148 5332 1 . GLU 149 149 5332 1 . LYS 150 150 5332 1 . ARG 151 151 5332 1 . ALA 152 152 5332 1 . GLU 153 153 5332 1 . LYS 154 154 5332 1 . ILE 155 155 5332 1 . TRP 156 156 5332 1 . GLY 157 157 5332 1 . PHE 158 158 5332 1 . PHE 159 159 5332 1 . GLY 160 160 5332 1 . LYS 161 161 5332 1 . LYS 162 162 5332 1 . ASP 163 163 5332 1 . ASP 164 164 5332 1 . ASP 165 165 5332 1 . LYS 166 166 5332 1 . LEU 167 167 5332 1 . THR 168 168 5332 1 . GLU 169 169 5332 1 . LYS 170 170 5332 1 . GLU 171 171 5332 1 . PHE 172 172 5332 1 . ILE 173 173 5332 1 . GLU 174 174 5332 1 . GLY 175 175 5332 1 . THR 176 176 5332 1 . LEU 177 177 5332 1 . ALA 178 178 5332 1 . ASN 179 179 5332 1 . LYS 180 180 5332 1 . GLU 181 181 5332 1 . ILE 182 182 5332 1 . LEU 183 183 5332 1 . ARG 184 184 5332 1 . LEU 185 185 5332 1 . ILE 186 186 5332 1 . GLN 187 187 5332 1 . PHE 188 188 5332 1 . GLU 189 189 5332 1 . PRO 190 190 5332 1 . GLN 191 191 5332 1 . LYS 192 192 5332 1 . VAL 193 193 5332 1 . LYS 194 194 5332 1 . GLU 195 195 5332 1 . LYS 196 196 5332 1 . LEU 197 197 5332 1 . LYS 198 198 5332 1 . GLU 199 199 5332 1 . LYS 200 200 5332 1 . LYS 201 201 5332 1 . LEU 202 202 5332 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 5332 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . CA . 5332 2 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 5332 _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 $E85Q . 9913 organism . 'Bos taurus' Cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 5332 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 5332 _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 $E85Q . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5332 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MYR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MYR _Chem_comp.Entry_ID 5332 _Chem_comp.ID MYR _Chem_comp.Provenance . _Chem_comp.Name 'MYRISTIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MYR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-07 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MYR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C14 H28 O2' _Chem_comp.Formula_weight 228.371 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1ICM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:30:20 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID O=C(O)CCCCCCCCCCCCC SMILES ACDLabs 10.04 5332 MYR CCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 5332 MYR CCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.341 5332 MYR CCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5332 MYR CCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 5332 MYR InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) InChI InChI 1.03 5332 MYR TUNFSRHWOTWDNC-UHFFFAOYSA-N InChIKey InChI 1.03 5332 MYR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'tetradecanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 5332 MYR 'tetradecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5332 MYR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 6.748 . -0.653 . 3.744 . 0.121 0.000 -6.963 1 . 5332 MYR O1 . O1 . . O . . N 0 . . . . no no . . . . 6.160 . -1.704 . 3.756 . 1.327 0.000 -6.888 2 . 5332 MYR O2 . O2 . . O . . N 0 . . . . no yes . . . . 6.245 . 0.389 . 4.316 . -0.476 0.000 -8.164 3 . 5332 MYR C2 . C2 . . C . . N 0 . . . . no no . . . . 8.095 . -0.440 . 3.061 . -0.711 0.000 -5.706 4 . 5332 MYR C3 . C3 . . C . . N 0 . . . . no no . . . . 9.236 . -1.264 . 3.627 . 0.209 0.000 -4.484 5 . 5332 MYR C4 . C4 . . C . . N 0 . . . . no no . . . . 9.578 . -0.958 . 5.081 . -0.636 0.000 -3.209 6 . 5332 MYR C5 . C5 . . C . . N 0 . . . . no no . . . . 10.773 . -1.735 . 5.635 . 0.284 0.000 -1.987 7 . 5332 MYR C6 . C6 . . C . . N 0 . . . . no no . . . . 11.280 . -1.093 . 6.928 . -0.560 0.000 -0.712 8 . 5332 MYR C7 . C7 . . C . . N 0 . . . . no no . . . . 12.782 . -1.170 . 7.157 . 0.359 0.000 0.509 9 . 5332 MYR C8 . C8 . . C . . N 0 . . . . no no . . . . 13.305 . 0.171 . 7.667 . -0.485 0.000 1.785 10 . 5332 MYR C9 . C9 . . C . . N 0 . . . . no no . . . . 14.245 . 0.011 . 8.840 . 0.434 0.000 3.007 11 . 5332 MYR C10 . C10 . . C . . N 0 . . . . no no . . . . 14.363 . 1.259 . 9.699 . -0.410 0.000 4.282 12 . 5332 MYR C11 . C11 . . C . . N 0 . . . . no no . . . . 15.566 . 2.088 . 9.297 . 0.510 0.000 5.504 13 . 5332 MYR C12 . C12 . . C . . N 0 . . . . no no . . . . 15.613 . 3.507 . 9.835 . -0.335 0.000 6.779 14 . 5332 MYR C13 . C13 . . C . . N 0 . . . . no no . . . . 16.815 . 4.232 . 9.253 . 0.585 0.000 8.001 15 . 5332 MYR C14 . C14 . . C . . N 0 . . . . no no . . . . 17.118 . 5.584 . 9.876 . -0.259 0.000 9.277 16 . 5332 MYR HO2 . HO2 . . H . . N 0 . . . . no no . . . . 6.708 . 1.218 . 4.306 . 0.057 0.000 -8.970 17 . 5332 MYR H21 . H21 . . H . . N 0 . . . . no no . . . . 8.002 . -0.612 . 1.963 . -1.340 -0.890 -5.688 18 . 5332 MYR H22 . H22 . . H . . N 0 . . . . no no . . . . 8.362 . 0.642 . 3.065 . -1.340 0.890 -5.688 19 . 5332 MYR H31 . H31 . . H . . N 0 . . . . no no . . . . 9.029 . -2.352 . 3.497 . 0.838 0.890 -4.503 20 . 5332 MYR H32 . H32 . . H . . N 0 . . . . no no . . . . 10.142 . -1.163 . 2.985 . 0.838 -0.890 -4.503 21 . 5332 MYR H41 . H41 . . H . . N 0 . . . . no no . . . . 9.731 . 0.137 . 5.219 . -1.265 -0.890 -3.190 22 . 5332 MYR H42 . H42 . . H . . N 0 . . . . no no . . . . 8.683 . -1.111 . 5.728 . -1.265 0.890 -3.190 23 . 5332 MYR H51 . H51 . . H . . N 0 . . . . no no . . . . 10.535 . -2.815 . 5.774 . 0.913 0.890 -2.006 24 . 5332 MYR H52 . H52 . . H . . N 0 . . . . no no . . . . 11.585 . -1.839 . 4.878 . 0.913 -0.890 -2.006 25 . 5332 MYR H61 . H61 . . H . . N 0 . . . . no no . . . . 10.940 . -0.032 . 6.985 . -1.189 -0.890 -0.693 26 . 5332 MYR H62 . H62 . . H . . N 0 . . . . no no . . . . 10.739 . -1.522 . 7.803 . -1.189 0.890 -0.693 27 . 5332 MYR H71 . H71 . . H . . N 0 . . . . no no . . . . 13.057 . -2.010 . 7.835 . 0.988 0.890 0.490 28 . 5332 MYR H72 . H72 . . H . . N 0 . . . . no no . . . . 13.326 . -1.510 . 6.245 . 0.988 -0.890 0.490 29 . 5332 MYR H81 . H81 . . H . . N 0 . . . . no no . . . . 13.781 . 0.756 . 6.846 . -1.114 -0.890 1.804 30 . 5332 MYR H82 . H82 . . H . . N 0 . . . . no no . . . . 12.466 . 0.862 . 7.914 . -1.114 0.890 1.804 31 . 5332 MYR H91 . H91 . . H . . N 0 . . . . no no . . . . 13.954 . -0.868 . 9.460 . 1.063 0.890 2.988 32 . 5332 MYR H92 . H92 . . H . . N 0 . . . . no no . . . . 15.250 . -0.327 . 8.496 . 1.063 -0.890 2.988 33 . 5332 MYR H101 . H101 . . H . . N 0 . . . . no no . . . . 13.424 . 1.861 . 9.678 . -1.039 -0.890 4.301 34 . 5332 MYR H102 . H102 . . H . . N 0 . . . . no no . . . . 14.381 . 1.008 . 10.785 . -1.039 0.890 4.301 35 . 5332 MYR H111 . H111 . . H . . N 0 . . . . no no . . . . 16.503 . 1.549 . 9.571 . 1.139 0.890 5.485 36 . 5332 MYR H112 . H112 . . H . . N 0 . . . . no no . . . . 15.659 . 2.102 . 8.186 . 1.139 -0.890 5.485 37 . 5332 MYR H121 . H121 . . H . . N 0 . . . . no no . . . . 14.660 . 4.057 . 9.653 . -0.964 -0.890 6.798 38 . 5332 MYR H122 . H122 . . H . . N 0 . . . . no no . . . . 15.603 . 3.535 . 10.949 . -0.964 0.890 6.798 39 . 5332 MYR H131 . H131 . . H . . N 0 . . . . no no . . . . 17.716 . 3.577 . 9.298 . 1.214 0.890 7.982 40 . 5332 MYR H132 . H132 . . H . . N 0 . . . . no no . . . . 16.703 . 4.334 . 8.148 . 1.214 -0.890 7.982 41 . 5332 MYR H141 . H141 . . H . . N 0 . . . . no no . . . . 18.000 . 6.116 . 9.449 . 0.395 0.000 10.147 42 . 5332 MYR H142 . H142 . . H . . N 0 . . . . no no . . . . 16.216 . 6.238 . 9.830 . -0.889 0.890 9.296 43 . 5332 MYR H143 . H143 . . H . . N 0 . . . . no no . . . . 17.229 . 5.481 . 10.980 . -0.889 -0.890 9.296 44 . 5332 MYR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 5332 MYR 2 . SING C1 O2 no N 2 . 5332 MYR 3 . SING C1 C2 no N 3 . 5332 MYR 4 . SING O2 HO2 no N 4 . 5332 MYR 5 . SING C2 C3 no N 5 . 5332 MYR 6 . SING C2 H21 no N 6 . 5332 MYR 7 . SING C2 H22 no N 7 . 5332 MYR 8 . SING C3 C4 no N 8 . 5332 MYR 9 . SING C3 H31 no N 9 . 5332 MYR 10 . SING C3 H32 no N 10 . 5332 MYR 11 . SING C4 C5 no N 11 . 5332 MYR 12 . SING C4 H41 no N 12 . 5332 MYR 13 . SING C4 H42 no N 13 . 5332 MYR 14 . SING C5 C6 no N 14 . 5332 MYR 15 . SING C5 H51 no N 15 . 5332 MYR 16 . SING C5 H52 no N 16 . 5332 MYR 17 . SING C6 C7 no N 17 . 5332 MYR 18 . SING C6 H61 no N 18 . 5332 MYR 19 . SING C6 H62 no N 19 . 5332 MYR 20 . SING C7 C8 no N 20 . 5332 MYR 21 . SING C7 H71 no N 21 . 5332 MYR 22 . SING C7 H72 no N 22 . 5332 MYR 23 . SING C8 C9 no N 23 . 5332 MYR 24 . SING C8 H81 no N 24 . 5332 MYR 25 . SING C8 H82 no N 25 . 5332 MYR 26 . SING C9 C10 no N 26 . 5332 MYR 27 . SING C9 H91 no N 27 . 5332 MYR 28 . SING C9 H92 no N 28 . 5332 MYR 29 . SING C10 C11 no N 29 . 5332 MYR 30 . SING C10 H101 no N 30 . 5332 MYR 31 . SING C10 H102 no N 31 . 5332 MYR 32 . SING C11 C12 no N 32 . 5332 MYR 33 . SING C11 H111 no N 33 . 5332 MYR 34 . SING C11 H112 no N 34 . 5332 MYR 35 . SING C12 C13 no N 35 . 5332 MYR 36 . SING C12 H121 no N 36 . 5332 MYR 37 . SING C12 H122 no N 37 . 5332 MYR 38 . SING C13 C14 no N 38 . 5332 MYR 39 . SING C13 H131 no N 39 . 5332 MYR 40 . SING C13 H132 no N 40 . 5332 MYR 41 . SING C14 H141 no N 41 . 5332 MYR 42 . SING C14 H142 no N 42 . 5332 MYR 43 . SING C14 H143 no N 43 . 5332 MYR stop_ save_ save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 5332 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 15:27:54 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Ca+2] SMILES ACDLabs 10.04 5332 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 5332 CA [Ca++] SMILES CACTVS 3.341 5332 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5332 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 5332 CA InChI=1S/Ca/q+2 InChI InChI 1.03 5332 CA BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 5332 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 5332 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5332 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5332 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 5332 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Recoverin '[U-13C; U-15N]' . . 1 $E85Q . . 0.8 . . mM . . . . 5332 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5332 _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 6.7 0.2 n/a 5332 1 temperature 310 1 K 5332 1 'ionic strength' 0.05 0.001 M 5332 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5332 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5332 _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 NMR_spectrometer Bruker DRX . 600 . . . 5332 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 5332 _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 '1H-15N NOESY' . . . . . . . . . . . 1 $sample1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5332 1 2 '1H-15N TOCSY' . . . . . . . . . . . 1 $sample1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5332 1 3 HNCACB . . . . . . . . . . . 1 $sample1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5332 1 4 HNCO . . . . . . . . . . . 1 $sample1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5332 1 5 CBCACONH . . . . . . . . . . . 1 $sample1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5332 1 6 HBHACONH . . . . . . . . . . . 1 $sample1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5332 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5332 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5332 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5332 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5332 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5332 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5332 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5332 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5332 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5332 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5332 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_E85Q_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode E85Q_chemical_shifts _Assigned_chem_shift_list.Entry_ID 5332 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample1 . 5332 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY H H 1 7.67 0.02 . 1 . . . . . . . . 5332 1 2 . 1 1 2 2 GLY HA2 H 1 3.95 0.02 . 2 . . . . . . . . 5332 1 3 . 1 1 2 2 GLY C C 13 173.2 0.1 . 1 . . . . . . . . 5332 1 4 . 1 1 2 2 GLY CA C 13 45.6 0.1 . 1 . . . . . . . . 5332 1 5 . 1 1 2 2 GLY N N 15 110.8 0.1 . 1 . . . . . . . . 5332 1 6 . 1 1 3 3 ASN H H 1 8.10 0.02 . 1 . . . . . . . . 5332 1 7 . 1 1 3 3 ASN HA H 1 4.83 0.02 . 1 . . . . . . . . 5332 1 8 . 1 1 3 3 ASN HB2 H 1 3.19 0.02 . 2 . . . . . . . . 5332 1 9 . 1 1 3 3 ASN C C 13 175.8 0.1 . 1 . . . . . . . . 5332 1 10 . 1 1 3 3 ASN CA C 13 51.4 0.1 . 1 . . . . . . . . 5332 1 11 . 1 1 3 3 ASN CB C 13 39.5 0.1 . 1 . . . . . . . . 5332 1 12 . 1 1 4 4 SER H H 1 8.60 0.02 . 1 . . . . . . . . 5332 1 13 . 1 1 4 4 SER HA H 1 4.23 0.02 . 1 . . . . . . . . 5332 1 14 . 1 1 4 4 SER C C 13 176.1 0.1 . 1 . . . . . . . . 5332 1 15 . 1 1 4 4 SER CA C 13 62.0 0.1 . 1 . . . . . . . . 5332 1 16 . 1 1 4 4 SER N N 15 116.0 0.1 . 1 . . . . . . . . 5332 1 17 . 1 1 5 5 LYS H H 1 8.22 0.02 . 1 . . . . . . . . 5332 1 18 . 1 1 5 5 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 5332 1 19 . 1 1 5 5 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 5332 1 20 . 1 1 5 5 LYS C C 13 178.5 0.1 . 1 . . . . . . . . 5332 1 21 . 1 1 5 5 LYS CA C 13 56.4 0.1 . 1 . . . . . . . . 5332 1 22 . 1 1 5 5 LYS CB C 13 33.2 0.1 . 1 . . . . . . . . 5332 1 23 . 1 1 5 5 LYS N N 15 122.9 0.1 . 1 . . . . . . . . 5332 1 24 . 1 1 6 6 SER H H 1 8.10 0.02 . 1 . . . . . . . . 5332 1 25 . 1 1 6 6 SER HA H 1 4.23 0.02 . 1 . . . . . . . . 5332 1 26 . 1 1 6 6 SER C C 13 176.7 0.1 . 1 . . . . . . . . 5332 1 27 . 1 1 6 6 SER CA C 13 62.0 0.1 . 1 . . . . . . . . 5332 1 28 . 1 1 6 6 SER CB C 13 63.0 0.1 . 1 . . . . . . . . 5332 1 29 . 1 1 6 6 SER N N 15 114.5 0.1 . 1 . . . . . . . . 5332 1 30 . 1 1 7 7 GLY H H 1 8.00 0.02 . 1 . . . . . . . . 5332 1 31 . 1 1 7 7 GLY HA2 H 1 3.96 0.02 . 2 . . . . . . . . 5332 1 32 . 1 1 7 7 GLY HA3 H 1 4.10 0.02 . 2 . . . . . . . . 5332 1 33 . 1 1 7 7 GLY C C 13 173.7 0.1 . 1 . . . . . . . . 5332 1 34 . 1 1 7 7 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 5332 1 35 . 1 1 7 7 GLY N N 15 108.7 0.1 . 1 . . . . . . . . 5332 1 36 . 1 1 8 8 ALA H H 1 8.01 0.02 . 1 . . . . . . . . 5332 1 37 . 1 1 8 8 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 5332 1 38 . 1 1 8 8 ALA HB1 H 1 1.60 0.02 . 1 . . . . . . . . 5332 1 39 . 1 1 8 8 ALA HB2 H 1 1.60 0.02 . 1 . . . . . . . . 5332 1 40 . 1 1 8 8 ALA HB3 H 1 1.60 0.02 . 1 . . . . . . . . 5332 1 41 . 1 1 8 8 ALA C C 13 181.0 0.1 . 1 . . . . . . . . 5332 1 42 . 1 1 8 8 ALA CA C 13 55.1 0.1 . 1 . . . . . . . . 5332 1 43 . 1 1 8 8 ALA CB C 13 17.8 0.1 . 1 . . . . . . . . 5332 1 44 . 1 1 8 8 ALA N N 15 123.2 0.1 . 1 . . . . . . . . 5332 1 45 . 1 1 9 9 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 5332 1 46 . 1 1 9 9 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 5332 1 47 . 1 1 9 9 LEU C C 13 177.2 0.1 . 1 . . . . . . . . 5332 1 48 . 1 1 9 9 LEU CA C 13 55.4 0.1 . 1 . . . . . . . . 5332 1 49 . 1 1 9 9 LEU CB C 13 41.8 0.1 . 1 . . . . . . . . 5332 1 50 . 1 1 9 9 LEU N N 15 120.0 0.1 . 1 . . . . . . . . 5332 1 51 . 1 1 10 10 SER H H 1 8.60 0.02 . 1 . . . . . . . . 5332 1 52 . 1 1 10 10 SER HA H 1 4.01 0.02 . 1 . . . . . . . . 5332 1 53 . 1 1 10 10 SER C C 13 175.5 0.1 . 1 . . . . . . . . 5332 1 54 . 1 1 10 10 SER CA C 13 62.80 0.1 . 1 . . . . . . . . 5332 1 55 . 1 1 10 10 SER N N 15 118.0 0.1 . 1 . . . . . . . . 5332 1 56 . 1 1 11 11 LYS H H 1 7.80 0.02 . 1 . . . . . . . . 5332 1 57 . 1 1 11 11 LYS HA H 1 3.80 0.02 . 1 . . . . . . . . 5332 1 58 . 1 1 11 11 LYS HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5332 1 59 . 1 1 11 11 LYS C C 13 177.8 0.1 . 1 . . . . . . . . 5332 1 60 . 1 1 11 11 LYS CA C 13 59.7 0.1 . 1 . . . . . . . . 5332 1 61 . 1 1 11 11 LYS CB C 13 31.5 0.1 . 1 . . . . . . . . 5332 1 62 . 1 1 11 11 LYS N N 15 118.5 0.1 . 1 . . . . . . . . 5332 1 63 . 1 1 12 12 GLU H H 1 7.50 0.02 . 1 . . . . . . . . 5332 1 64 . 1 1 12 12 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 5332 1 65 . 1 1 12 12 GLU HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5332 1 66 . 1 1 12 12 GLU C C 13 179.0 0.1 . 1 . . . . . . . . 5332 1 67 . 1 1 12 12 GLU CA C 13 59.2 0.1 . 1 . . . . . . . . 5332 1 68 . 1 1 12 12 GLU CB C 13 29.7 0.1 . 1 . . . . . . . . 5332 1 69 . 1 1 12 12 GLU N N 15 117.1 0.1 . 1 . . . . . . . . 5332 1 70 . 1 1 13 13 ILE H H 1 8.60 0.02 . 1 . . . . . . . . 5332 1 71 . 1 1 13 13 ILE HA H 1 3.70 0.02 . 1 . . . . . . . . 5332 1 72 . 1 1 13 13 ILE HB H 1 1.70 0.02 . 1 . . . . . . . . 5332 1 73 . 1 1 13 13 ILE C C 13 177.0 0.1 . 1 . . . . . . . . 5332 1 74 . 1 1 13 13 ILE CA C 13 64.2 0.1 . 1 . . . . . . . . 5332 1 75 . 1 1 13 13 ILE CB C 13 38.0 0.1 . 1 . . . . . . . . 5332 1 76 . 1 1 13 13 ILE N N 15 121.1 0.1 . 1 . . . . . . . . 5332 1 77 . 1 1 14 14 LEU H H 1 8.62 0.02 . 1 . . . . . . . . 5332 1 78 . 1 1 14 14 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5332 1 79 . 1 1 14 14 LEU CA C 13 57.8 0.1 . 1 . . . . . . . . 5332 1 80 . 1 1 14 14 LEU CB C 13 41.6 0.1 . 1 . . . . . . . . 5332 1 81 . 1 1 14 14 LEU N N 15 117.0 0.1 . 1 . . . . . . . . 5332 1 82 . 1 1 15 15 GLU H H 1 8.05 0.02 . 1 . . . . . . . . 5332 1 83 . 1 1 15 15 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 5332 1 84 . 1 1 15 15 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5332 1 85 . 1 1 15 15 GLU C C 13 179.5 0.1 . 1 . . . . . . . . 5332 1 86 . 1 1 15 15 GLU CA C 13 59.0 0.1 . 1 . . . . . . . . 5332 1 87 . 1 1 15 15 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5332 1 88 . 1 1 15 15 GLU N N 15 122.1 0.1 . 1 . . . . . . . . 5332 1 89 . 1 1 16 16 GLU H H 1 8.20 0.02 . 1 . . . . . . . . 5332 1 90 . 1 1 16 16 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 5332 1 91 . 1 1 16 16 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5332 1 92 . 1 1 16 16 GLU C C 13 178.0 0.1 . 1 . . . . . . . . 5332 1 93 . 1 1 16 16 GLU CA C 13 58.1 0.1 . 1 . . . . . . . . 5332 1 94 . 1 1 16 16 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5332 1 95 . 1 1 16 16 GLU N N 15 119.1 0.1 . 1 . . . . . . . . 5332 1 96 . 1 1 17 17 LEU H H 1 7.75 0.02 . 1 . . . . . . . . 5332 1 97 . 1 1 17 17 LEU HA H 1 4.40 0.02 . 1 . . . . . . . . 5332 1 98 . 1 1 17 17 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5332 1 99 . 1 1 17 17 LEU CA C 13 57.1 0.1 . 1 . . . . . . . . 5332 1 100 . 1 1 17 17 LEU CB C 13 41.1 0.1 . 1 . . . . . . . . 5332 1 101 . 1 1 17 17 LEU N N 15 118.6 0.1 . 1 . . . . . . . . 5332 1 102 . 1 1 18 18 GLN H H 1 7.85 0.02 . 1 . . . . . . . . 5332 1 103 . 1 1 18 18 GLN HA H 1 4.10 0.02 . 1 . . . . . . . . 5332 1 104 . 1 1 18 18 GLN HB2 H 1 2.30 0.02 . 2 . . . . . . . . 5332 1 105 . 1 1 18 18 GLN C C 13 175.0 0.1 . 1 . . . . . . . . 5332 1 106 . 1 1 18 18 GLN CA C 13 56.2 0.1 . 1 . . . . . . . . 5332 1 107 . 1 1 18 18 GLN CB C 13 27.5 0.1 . 1 . . . . . . . . 5332 1 108 . 1 1 18 18 GLN N N 15 112.6 0.1 . 1 . . . . . . . . 5332 1 109 . 1 1 19 19 LEU H H 1 7.80 0.02 . 1 . . . . . . . . 5332 1 110 . 1 1 19 19 LEU HA H 1 4.37 0.02 . 1 . . . . . . . . 5332 1 111 . 1 1 19 19 LEU C C 13 177.1 0.1 . 1 . . . . . . . . 5332 1 112 . 1 1 19 19 LEU CA C 13 56.0 0.1 . 1 . . . . . . . . 5332 1 113 . 1 1 19 19 LEU CB C 13 42.2 0.1 . 1 . . . . . . . . 5332 1 114 . 1 1 19 19 LEU N N 15 120.0 0.1 . 1 . . . . . . . . 5332 1 115 . 1 1 20 20 ASN H H 1 8.30 0.02 . 1 . . . . . . . . 5332 1 116 . 1 1 20 20 ASN HA H 1 4.70 0.02 . 1 . . . . . . . . 5332 1 117 . 1 1 20 20 ASN HB2 H 1 2.80 0.02 . 2 . . . . . . . . 5332 1 118 . 1 1 20 20 ASN C C 13 175.0 0.1 . 1 . . . . . . . . 5332 1 119 . 1 1 20 20 ASN CA C 13 53.0 0.1 . 1 . . . . . . . . 5332 1 120 . 1 1 20 20 ASN CB C 13 39.5 0.1 . 1 . . . . . . . . 5332 1 121 . 1 1 20 20 ASN N N 15 121.5 0.1 . 1 . . . . . . . . 5332 1 122 . 1 1 21 21 THR H H 1 8.40 0.02 . 1 . . . . . . . . 5332 1 123 . 1 1 21 21 THR HA H 1 4.50 0.02 . 1 . . . . . . . . 5332 1 124 . 1 1 21 21 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 5332 1 125 . 1 1 21 21 THR C C 13 174.5 0.1 . 1 . . . . . . . . 5332 1 126 . 1 1 21 21 THR CA C 13 62.0 0.1 . 1 . . . . . . . . 5332 1 127 . 1 1 21 21 THR CB C 13 70.6 0.1 . 1 . . . . . . . . 5332 1 128 . 1 1 21 21 THR N N 15 117.0 0.1 . 1 . . . . . . . . 5332 1 129 . 1 1 22 22 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 5332 1 130 . 1 1 22 22 LYS HA H 1 4.15 0.02 . 1 . . . . . . . . 5332 1 131 . 1 1 22 22 LYS C C 13 177.0 0.1 . 1 . . . . . . . . 5332 1 132 . 1 1 22 22 LYS CA C 13 56.1 0.1 . 1 . . . . . . . . 5332 1 133 . 1 1 22 22 LYS CB C 13 32.2 0.1 . 1 . . . . . . . . 5332 1 134 . 1 1 22 22 LYS N N 15 122.0 0.1 . 1 . . . . . . . . 5332 1 135 . 1 1 23 23 PHE H H 1 7.40 0.02 . 1 . . . . . . . . 5332 1 136 . 1 1 23 23 PHE HA H 1 4.80 0.02 . 1 . . . . . . . . 5332 1 137 . 1 1 23 23 PHE HB2 H 1 2.82 0.02 . 2 . . . . . . . . 5332 1 138 . 1 1 23 23 PHE C C 13 176.0 0.1 . 1 . . . . . . . . 5332 1 139 . 1 1 23 23 PHE CA C 13 57.0 0.1 . 1 . . . . . . . . 5332 1 140 . 1 1 23 23 PHE CB C 13 40.1 0.1 . 1 . . . . . . . . 5332 1 141 . 1 1 23 23 PHE N N 15 118.4 0.1 . 1 . . . . . . . . 5332 1 142 . 1 1 24 24 THR H H 1 8.90 0.02 . 1 . . . . . . . . 5332 1 143 . 1 1 24 24 THR HA H 1 4.82 0.02 . 1 . . . . . . . . 5332 1 144 . 1 1 24 24 THR HB H 1 4.50 0.02 . 1 . . . . . . . . 5332 1 145 . 1 1 24 24 THR C C 13 175.0 0.1 . 1 . . . . . . . . 5332 1 146 . 1 1 24 24 THR CA C 13 60.1 0.1 . 1 . . . . . . . . 5332 1 147 . 1 1 24 24 THR CB C 13 71.2 0.1 . 1 . . . . . . . . 5332 1 148 . 1 1 24 24 THR N N 15 113.8 0.1 . 1 . . . . . . . . 5332 1 149 . 1 1 25 25 GLU H H 1 9.80 0.02 . 1 . . . . . . . . 5332 1 150 . 1 1 25 25 GLU HA H 1 3.90 0.02 . 1 . . . . . . . . 5332 1 151 . 1 1 25 25 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5332 1 152 . 1 1 25 25 GLU C C 13 178.1 0.1 . 1 . . . . . . . . 5332 1 153 . 1 1 25 25 GLU CA C 13 60.2 0.1 . 1 . . . . . . . . 5332 1 154 . 1 1 25 25 GLU CB C 13 28.4 0.1 . 1 . . . . . . . . 5332 1 155 . 1 1 25 25 GLU N N 15 120.0 0.1 . 1 . . . . . . . . 5332 1 156 . 1 1 26 26 GLU H H 1 8.35 0.02 . 1 . . . . . . . . 5332 1 157 . 1 1 26 26 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 5332 1 158 . 1 1 26 26 GLU HB2 H 1 2.25 0.02 . 2 . . . . . . . . 5332 1 159 . 1 1 26 26 GLU C C 13 179.0 0.1 . 1 . . . . . . . . 5332 1 160 . 1 1 26 26 GLU CA C 13 59.3 0.1 . 1 . . . . . . . . 5332 1 161 . 1 1 26 26 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5332 1 162 . 1 1 26 26 GLU N N 15 119.1 0.1 . 1 . . . . . . . . 5332 1 163 . 1 1 27 27 GLU H H 1 7.91 0.02 . 1 . . . . . . . . 5332 1 164 . 1 1 27 27 GLU HA H 1 4.10 0.02 . 1 . . . . . . . . 5332 1 165 . 1 1 27 27 GLU HB2 H 1 2.40 0.02 . 2 . . . . . . . . 5332 1 166 . 1 1 27 27 GLU C C 13 179.8 0.1 . 1 . . . . . . . . 5332 1 167 . 1 1 27 27 GLU CA C 13 58.7 0.1 . 1 . . . . . . . . 5332 1 168 . 1 1 27 27 GLU CB C 13 29.6 0.1 . 1 . . . . . . . . 5332 1 169 . 1 1 27 27 GLU N N 15 121.4 0.1 . 1 . . . . . . . . 5332 1 170 . 1 1 28 28 LEU H H 1 8.40 0.02 . 1 . . . . . . . . 5332 1 171 . 1 1 28 28 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 5332 1 172 . 1 1 28 28 LEU C C 13 179.5 0.1 . 1 . . . . . . . . 5332 1 173 . 1 1 28 28 LEU CA C 13 58.6 0.1 . 1 . . . . . . . . 5332 1 174 . 1 1 28 28 LEU CB C 13 42.4 0.1 . 1 . . . . . . . . 5332 1 175 . 1 1 28 28 LEU N N 15 120.1 0.1 . 1 . . . . . . . . 5332 1 176 . 1 1 29 29 SER H H 1 7.61 0.02 . 1 . . . . . . . . 5332 1 177 . 1 1 29 29 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 5332 1 178 . 1 1 29 29 SER C C 13 177.8 0.1 . 1 . . . . . . . . 5332 1 179 . 1 1 29 29 SER CA C 13 61.5 0.1 . 1 . . . . . . . . 5332 1 180 . 1 1 29 29 SER CB C 13 62.6 0.1 . 1 . . . . . . . . 5332 1 181 . 1 1 29 29 SER N N 15 112.1 0.1 . 1 . . . . . . . . 5332 1 182 . 1 1 30 30 SER H H 1 8.58 0.02 . 1 . . . . . . . . 5332 1 183 . 1 1 30 30 SER HA H 1 4.26 0.02 . 1 . . . . . . . . 5332 1 184 . 1 1 30 30 SER C C 13 177.0 0.1 . 1 . . . . . . . . 5332 1 185 . 1 1 30 30 SER CA C 13 62.0 0.1 . 1 . . . . . . . . 5332 1 186 . 1 1 30 30 SER N N 15 117.0 0.1 . 1 . . . . . . . . 5332 1 187 . 1 1 31 31 TRP H H 1 8.65 0.02 . 1 . . . . . . . . 5332 1 188 . 1 1 31 31 TRP HA H 1 4.84 0.02 . 1 . . . . . . . . 5332 1 189 . 1 1 31 31 TRP HB2 H 1 3.54 0.02 . 2 . . . . . . . . 5332 1 190 . 1 1 31 31 TRP C C 13 177.1 0.1 . 1 . . . . . . . . 5332 1 191 . 1 1 31 31 TRP CA C 13 62.2 0.1 . 1 . . . . . . . . 5332 1 192 . 1 1 31 31 TRP CB C 13 28.9 0.1 . 1 . . . . . . . . 5332 1 193 . 1 1 31 31 TRP N N 15 124.0 0.1 . 1 . . . . . . . . 5332 1 194 . 1 1 32 32 TYR H H 1 8.40 0.02 . 1 . . . . . . . . 5332 1 195 . 1 1 32 32 TYR HA H 1 3.73 0.02 . 1 . . . . . . . . 5332 1 196 . 1 1 32 32 TYR C C 13 178.6 0.1 . 1 . . . . . . . . 5332 1 197 . 1 1 32 32 TYR CA C 13 61.8 0.1 . 1 . . . . . . . . 5332 1 198 . 1 1 32 32 TYR CB C 13 39.2 0.1 . 1 . . . . . . . . 5332 1 199 . 1 1 32 32 TYR N N 15 122.0 0.1 . 1 . . . . . . . . 5332 1 200 . 1 1 33 33 GLN H H 1 8.38 0.02 . 1 . . . . . . . . 5332 1 201 . 1 1 33 33 GLN HA H 1 3.80 0.02 . 1 . . . . . . . . 5332 1 202 . 1 1 33 33 GLN C C 13 179.4 0.1 . 1 . . . . . . . . 5332 1 203 . 1 1 33 33 GLN CA C 13 58.5 0.1 . 1 . . . . . . . . 5332 1 204 . 1 1 33 33 GLN CB C 13 28.1 0.1 . 1 . . . . . . . . 5332 1 205 . 1 1 33 33 GLN N N 15 113.9 0.1 . 1 . . . . . . . . 5332 1 206 . 1 1 34 34 SER H H 1 7.93 0.02 . 1 . . . . . . . . 5332 1 207 . 1 1 34 34 SER HA H 1 4.17 0.02 . 1 . . . . . . . . 5332 1 208 . 1 1 34 34 SER C C 13 175.7 0.1 . 1 . . . . . . . . 5332 1 209 . 1 1 34 34 SER CA C 13 60.9 0.1 . 1 . . . . . . . . 5332 1 210 . 1 1 34 34 SER CB C 13 62.0 0.1 . 1 . . . . . . . . 5332 1 211 . 1 1 34 34 SER N N 15 115.8 0.1 . 1 . . . . . . . . 5332 1 212 . 1 1 35 35 PHE H H 1 8.24 0.02 . 1 . . . . . . . . 5332 1 213 . 1 1 35 35 PHE HA H 1 3.81 0.02 . 1 . . . . . . . . 5332 1 214 . 1 1 35 35 PHE HB2 H 1 2.50 0.02 . 2 . . . . . . . . 5332 1 215 . 1 1 35 35 PHE C C 13 177.0 0.1 . 1 . . . . . . . . 5332 1 216 . 1 1 35 35 PHE CA C 13 60.9 0.1 . 1 . . . . . . . . 5332 1 217 . 1 1 35 35 PHE CB C 13 38.2 0.1 . 1 . . . . . . . . 5332 1 218 . 1 1 35 35 PHE N N 15 127.3 0.1 . 1 . . . . . . . . 5332 1 219 . 1 1 36 36 LEU H H 1 7.61 0.02 . 1 . . . . . . . . 5332 1 220 . 1 1 36 36 LEU HA H 1 3.95 0.02 . 1 . . . . . . . . 5332 1 221 . 1 1 36 36 LEU HB2 H 1 1.60 0.02 . 2 . . . . . . . . 5332 1 222 . 1 1 36 36 LEU C C 13 179.1 0.1 . 1 . . . . . . . . 5332 1 223 . 1 1 36 36 LEU CA C 13 56.1 0.1 . 1 . . . . . . . . 5332 1 224 . 1 1 36 36 LEU CB C 13 41.7 0.1 . 1 . . . . . . . . 5332 1 225 . 1 1 36 36 LEU N N 15 118.0 0.1 . 1 . . . . . . . . 5332 1 226 . 1 1 37 37 LYS H H 1 7.28 0.02 . 1 . . . . . . . . 5332 1 227 . 1 1 37 37 LYS HA H 1 3.95 0.02 . 1 . . . . . . . . 5332 1 228 . 1 1 37 37 LYS HB2 H 1 1.85 0.02 . 2 . . . . . . . . 5332 1 229 . 1 1 37 37 LYS C C 13 178.0 0.1 . 1 . . . . . . . . 5332 1 230 . 1 1 37 37 LYS CA C 13 58.4 0.1 . 1 . . . . . . . . 5332 1 231 . 1 1 37 37 LYS CB C 13 32.1 0.1 . 1 . . . . . . . . 5332 1 232 . 1 1 37 37 LYS N N 15 116.9 0.1 . 1 . . . . . . . . 5332 1 233 . 1 1 38 38 GLU H H 1 7.51 0.02 . 1 . . . . . . . . 5332 1 234 . 1 1 38 38 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 5332 1 235 . 1 1 38 38 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5332 1 236 . 1 1 38 38 GLU C C 13 175.8 0.1 . 1 . . . . . . . . 5332 1 237 . 1 1 38 38 GLU CA C 13 56.8 0.1 . 1 . . . . . . . . 5332 1 238 . 1 1 38 38 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 5332 1 239 . 1 1 38 38 GLU N N 15 118.0 0.1 . 1 . . . . . . . . 5332 1 240 . 1 1 39 39 CYS H H 1 7.75 0.02 . 1 . . . . . . . . 5332 1 241 . 1 1 39 39 CYS HA H 1 4.70 0.02 . 1 . . . . . . . . 5332 1 242 . 1 1 39 39 CYS HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5332 1 243 . 1 1 39 39 CYS CA C 13 55.30 0.1 . 1 . . . . . . . . 5332 1 244 . 1 1 39 39 CYS CB C 13 25.9 0.1 . 1 . . . . . . . . 5332 1 245 . 1 1 39 39 CYS N N 15 119.1 0.1 . 1 . . . . . . . . 5332 1 246 . 1 1 40 40 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 5332 1 247 . 1 1 40 40 PRO HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5332 1 248 . 1 1 40 40 PRO HB3 H 1 2.30 0.02 . 2 . . . . . . . . 5332 1 249 . 1 1 40 40 PRO C C 13 178.7 0.1 . 1 . . . . . . . . 5332 1 250 . 1 1 40 40 PRO CA C 13 64.5 0.1 . 1 . . . . . . . . 5332 1 251 . 1 1 40 40 PRO CB C 13 31.4 0.1 . 1 . . . . . . . . 5332 1 252 . 1 1 41 41 SER H H 1 8.43 0.02 . 1 . . . . . . . . 5332 1 253 . 1 1 41 41 SER HA H 1 4.05 0.02 . 1 . . . . . . . . 5332 1 254 . 1 1 41 41 SER HB2 H 1 3.89 0.02 . 2 . . . . . . . . 5332 1 255 . 1 1 41 41 SER HB3 H 1 4.40 0.02 . 2 . . . . . . . . 5332 1 256 . 1 1 41 41 SER C C 13 175.1 0.1 . 1 . . . . . . . . 5332 1 257 . 1 1 41 41 SER CA C 13 58.9 0.1 . 1 . . . . . . . . 5332 1 258 . 1 1 41 41 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5332 1 259 . 1 1 41 41 SER N N 15 113.8 0.1 . 1 . . . . . . . . 5332 1 260 . 1 1 42 42 GLY H H 1 8.23 0.02 . 1 . . . . . . . . 5332 1 261 . 1 1 42 42 GLY HA2 H 1 3.80 0.02 . 2 . . . . . . . . 5332 1 262 . 1 1 42 42 GLY C C 13 172.3 0.1 . 1 . . . . . . . . 5332 1 263 . 1 1 42 42 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 5332 1 264 . 1 1 42 42 GLY N N 15 110.9 0.1 . 1 . . . . . . . . 5332 1 265 . 1 1 43 43 ARG H H 1 7.71 0.02 . 1 . . . . . . . . 5332 1 266 . 1 1 43 43 ARG HA H 1 5.30 0.02 . 1 . . . . . . . . 5332 1 267 . 1 1 43 43 ARG HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5332 1 268 . 1 1 43 43 ARG C C 13 175.0 0.1 . 1 . . . . . . . . 5332 1 269 . 1 1 43 43 ARG CA C 13 54.8 0.1 . 1 . . . . . . . . 5332 1 270 . 1 1 43 43 ARG CB C 13 31.9 0.1 . 1 . . . . . . . . 5332 1 271 . 1 1 43 43 ARG N N 15 120.6 0.1 . 1 . . . . . . . . 5332 1 272 . 1 1 44 44 ILE H H 1 9.07 0.02 . 1 . . . . . . . . 5332 1 273 . 1 1 44 44 ILE HA H 1 5.02 0.02 . 1 . . . . . . . . 5332 1 274 . 1 1 44 44 ILE HB H 1 2.25 0.02 . 1 . . . . . . . . 5332 1 275 . 1 1 44 44 ILE C C 13 175.0 0.1 . 1 . . . . . . . . 5332 1 276 . 1 1 44 44 ILE CA C 13 58.6 0.1 . 1 . . . . . . . . 5332 1 277 . 1 1 44 44 ILE CB C 13 41.9 0.1 . 1 . . . . . . . . 5332 1 278 . 1 1 44 44 ILE N N 15 117.3 0.1 . 1 . . . . . . . . 5332 1 279 . 1 1 45 45 THR H H 1 8.85 0.02 . 1 . . . . . . . . 5332 1 280 . 1 1 45 45 THR HA H 1 4.90 0.02 . 1 . . . . . . . . 5332 1 281 . 1 1 45 45 THR C C 13 176.0 0.1 . 1 . . . . . . . . 5332 1 282 . 1 1 45 45 THR CA C 13 60.7 0.1 . 1 . . . . . . . . 5332 1 283 . 1 1 45 45 THR CB C 13 71.7 0.1 . 1 . . . . . . . . 5332 1 284 . 1 1 45 45 THR N N 15 113.2 0.1 . 1 . . . . . . . . 5332 1 285 . 1 1 46 46 ARG H H 1 8.45 0.02 . 1 . . . . . . . . 5332 1 286 . 1 1 46 46 ARG HA H 1 3.90 0.02 . 1 . . . . . . . . 5332 1 287 . 1 1 46 46 ARG HB2 H 1 1.80 0.02 . 2 . . . . . . . . 5332 1 288 . 1 1 46 46 ARG C C 13 178.0 0.1 . 1 . . . . . . . . 5332 1 289 . 1 1 46 46 ARG CA C 13 59.9 0.1 . 1 . . . . . . . . 5332 1 290 . 1 1 46 46 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . 5332 1 291 . 1 1 46 46 ARG N N 15 120.7 0.1 . 1 . . . . . . . . 5332 1 292 . 1 1 47 47 GLN H H 1 8.45 0.02 . 1 . . . . . . . . 5332 1 293 . 1 1 47 47 GLN HA H 1 4.10 0.02 . 1 . . . . . . . . 5332 1 294 . 1 1 47 47 GLN HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5332 1 295 . 1 1 47 47 GLN C C 13 179.0 0.1 . 1 . . . . . . . . 5332 1 296 . 1 1 47 47 GLN CA C 13 59.1 0.1 . 1 . . . . . . . . 5332 1 297 . 1 1 47 47 GLN CB C 13 27.9 0.1 . 1 . . . . . . . . 5332 1 298 . 1 1 47 47 GLN N N 15 119.1 0.1 . 1 . . . . . . . . 5332 1 299 . 1 1 48 48 GLU H H 1 7.85 0.02 . 1 . . . . . . . . 5332 1 300 . 1 1 48 48 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 5332 1 301 . 1 1 48 48 GLU HB2 H 1 2.45 0.02 . 2 . . . . . . . . 5332 1 302 . 1 1 48 48 GLU C C 13 178.6 0.1 . 1 . . . . . . . . 5332 1 303 . 1 1 48 48 GLU CA C 13 60.4 0.1 . 1 . . . . . . . . 5332 1 304 . 1 1 48 48 GLU CB C 13 29.8 0.1 . 1 . . . . . . . . 5332 1 305 . 1 1 48 48 GLU N N 15 121.4 0.1 . 1 . . . . . . . . 5332 1 306 . 1 1 49 49 PHE H H 1 8.63 0.02 . 1 . . . . . . . . 5332 1 307 . 1 1 49 49 PHE HA H 1 3.85 0.02 . 1 . . . . . . . . 5332 1 308 . 1 1 49 49 PHE HB2 H 1 3.20 0.02 . 2 . . . . . . . . 5332 1 309 . 1 1 49 49 PHE C C 13 179.2 0.1 . 1 . . . . . . . . 5332 1 310 . 1 1 49 49 PHE CA C 13 61.9 0.1 . 1 . . . . . . . . 5332 1 311 . 1 1 49 49 PHE CB C 13 38.2 0.1 . 1 . . . . . . . . 5332 1 312 . 1 1 49 49 PHE N N 15 119.4 0.1 . 1 . . . . . . . . 5332 1 313 . 1 1 50 50 GLN H H 1 8.17 0.02 . 1 . . . . . . . . 5332 1 314 . 1 1 50 50 GLN HA H 1 3.90 0.02 . 1 . . . . . . . . 5332 1 315 . 1 1 50 50 GLN HB2 H 1 2.20 0.02 . 2 . . . . . . . . 5332 1 316 . 1 1 50 50 GLN C C 13 178.3 0.1 . 1 . . . . . . . . 5332 1 317 . 1 1 50 50 GLN CA C 13 58.9 0.1 . 1 . . . . . . . . 5332 1 318 . 1 1 50 50 GLN CB C 13 28.2 0.1 . 1 . . . . . . . . 5332 1 319 . 1 1 50 50 GLN N N 15 118.4 0.1 . 1 . . . . . . . . 5332 1 320 . 1 1 51 51 THR H H 1 7.78 0.1 . 1 . . . . . . . . 5332 1 321 . 1 1 51 51 THR HA H 1 3.90 0.02 . 1 . . . . . . . . 5332 1 322 . 1 1 51 51 THR HB H 1 4.32 0.02 . 1 . . . . . . . . 5332 1 323 . 1 1 51 51 THR C C 13 175.7 0.1 . 1 . . . . . . . . 5332 1 324 . 1 1 51 51 THR CA C 13 66.2 0.1 . 1 . . . . . . . . 5332 1 325 . 1 1 51 51 THR CB C 13 68.4 0.1 . 1 . . . . . . . . 5332 1 326 . 1 1 51 51 THR N N 15 117.0 0.1 . 1 . . . . . . . . 5332 1 327 . 1 1 52 52 ILE H H 1 7.83 0.02 . 1 . . . . . . . . 5332 1 328 . 1 1 52 52 ILE HA H 1 3.50 0.02 . 1 . . . . . . . . 5332 1 329 . 1 1 52 52 ILE HB H 1 1.65 0.02 . 1 . . . . . . . . 5332 1 330 . 1 1 52 52 ILE C C 13 174.4 0.1 . 1 . . . . . . . . 5332 1 331 . 1 1 52 52 ILE CA C 13 65.1 0.1 . 1 . . . . . . . . 5332 1 332 . 1 1 52 52 ILE CB C 13 38.2 0.1 . 1 . . . . . . . . 5332 1 333 . 1 1 52 52 ILE N N 15 123.7 0.1 . 1 . . . . . . . . 5332 1 334 . 1 1 53 53 TYR H H 1 8.82 0.02 . 1 . . . . . . . . 5332 1 335 . 1 1 53 53 TYR HA H 1 3.70 0.02 . 1 . . . . . . . . 5332 1 336 . 1 1 53 53 TYR HB2 H 1 2.80 0.02 . 2 . . . . . . . . 5332 1 337 . 1 1 53 53 TYR HB3 H 1 3.18 0.02 . 2 . . . . . . . . 5332 1 338 . 1 1 53 53 TYR C C 13 175.6 0.1 . 1 . . . . . . . . 5332 1 339 . 1 1 53 53 TYR CA C 13 62.4 0.1 . 1 . . . . . . . . 5332 1 340 . 1 1 53 53 TYR CB C 13 38.6 0.1 . 1 . . . . . . . . 5332 1 341 . 1 1 53 53 TYR N N 15 122.7 0.1 . 1 . . . . . . . . 5332 1 342 . 1 1 54 54 SER H H 1 7.78 0.02 . 1 . . . . . . . . 5332 1 343 . 1 1 54 54 SER HA H 1 4.15 0.02 . 1 . . . . . . . . 5332 1 344 . 1 1 54 54 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 5332 1 345 . 1 1 54 54 SER C C 13 175.45 0.1 . 1 . . . . . . . . 5332 1 346 . 1 1 54 54 SER CA C 13 60.2 0.1 . 1 . . . . . . . . 5332 1 347 . 1 1 54 54 SER CB C 13 63.0 0.1 . 1 . . . . . . . . 5332 1 348 . 1 1 54 54 SER N N 15 111.4 0.1 . 1 . . . . . . . . 5332 1 349 . 1 1 55 55 LYS H H 1 7.49 0.02 . 1 . . . . . . . . 5332 1 350 . 1 1 55 55 LYS HA H 1 3.90 0.02 . 1 . . . . . . . . 5332 1 351 . 1 1 55 55 LYS HB2 H 1 1.60 0.02 . 2 . . . . . . . . 5332 1 352 . 1 1 55 55 LYS C C 13 177.3 0.1 . 1 . . . . . . . . 5332 1 353 . 1 1 55 55 LYS CA C 13 57.9 0.1 . 1 . . . . . . . . 5332 1 354 . 1 1 55 55 LYS CB C 13 31.8 0.1 . 1 . . . . . . . . 5332 1 355 . 1 1 55 55 LYS N N 15 121.1 0.1 . 1 . . . . . . . . 5332 1 356 . 1 1 56 56 PHE H H 1 6.89 0.02 . 1 . . . . . . . . 5332 1 357 . 1 1 56 56 PHE HA H 1 3.90 0.02 . 1 . . . . . . . . 5332 1 358 . 1 1 56 56 PHE HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5332 1 359 . 1 1 56 56 PHE C C 13 177.1 0.1 . 1 . . . . . . . . 5332 1 360 . 1 1 56 56 PHE CA C 13 60.0 0.1 . 1 . . . . . . . . 5332 1 361 . 1 1 56 56 PHE CB C 13 39.5 0.1 . 1 . . . . . . . . 5332 1 362 . 1 1 56 56 PHE N N 15 117.6 0.1 . 1 . . . . . . . . 5332 1 363 . 1 1 57 57 PHE H H 1 8.04 0.02 . 1 . . . . . . . . 5332 1 364 . 1 1 57 57 PHE HA H 1 5.15 0.02 . 1 . . . . . . . . 5332 1 365 . 1 1 57 57 PHE HB2 H 1 2.80 0.02 . 2 . . . . . . . . 5332 1 366 . 1 1 57 57 PHE CA C 13 54.6 0.1 . 1 . . . . . . . . 5332 1 367 . 1 1 57 57 PHE CB C 13 38.8 0.1 . 1 . . . . . . . . 5332 1 368 . 1 1 57 57 PHE N N 15 117.4 0.1 . 1 . . . . . . . . 5332 1 369 . 1 1 58 58 PRO HA H 1 4.50 0.02 . 1 . . . . . . . . 5332 1 370 . 1 1 58 58 PRO HB2 H 1 2.37 0.02 . 2 . . . . . . . . 5332 1 371 . 1 1 58 58 PRO C C 13 178.0 0.1 . 1 . . . . . . . . 5332 1 372 . 1 1 58 58 PRO CA C 13 64.2 0.1 . 1 . . . . . . . . 5332 1 373 . 1 1 58 58 PRO CB C 13 32.1 0.1 . 1 . . . . . . . . 5332 1 374 . 1 1 59 59 GLU H H 1 8.45 0.02 . 1 . . . . . . . . 5332 1 375 . 1 1 59 59 GLU HA H 1 4.40 0.02 . 1 . . . . . . . . 5332 1 376 . 1 1 59 59 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5332 1 377 . 1 1 59 59 GLU CA C 13 56.1 0.1 . 1 . . . . . . . . 5332 1 378 . 1 1 59 59 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 5332 1 379 . 1 1 59 59 GLU N N 15 118.3 0.1 . 1 . . . . . . . . 5332 1 380 . 1 1 62 62 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 5332 1 381 . 1 1 62 62 PRO HB2 H 1 2.38 0.02 . 2 . . . . . . . . 5332 1 382 . 1 1 62 62 PRO C C 13 177.7 0.1 . 1 . . . . . . . . 5332 1 383 . 1 1 62 62 PRO CA C 13 64.1 0.1 . 1 . . . . . . . . 5332 1 384 . 1 1 62 62 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . 5332 1 385 . 1 1 63 63 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 5332 1 386 . 1 1 63 63 LYS HA H 1 3.91 0.02 . 1 . . . . . . . . 5332 1 387 . 1 1 63 63 LYS HB2 H 1 1.78 0.02 . 2 . . . . . . . . 5332 1 388 . 1 1 63 63 LYS HB3 H 1 2.01 0.02 . 2 . . . . . . . . 5332 1 389 . 1 1 63 63 LYS C C 13 177.8 0.1 . 1 . . . . . . . . 5332 1 390 . 1 1 63 63 LYS CA C 13 56.7 0.1 . 1 . . . . . . . . 5332 1 391 . 1 1 63 63 LYS CB C 13 32.0 0.1 . 1 . . . . . . . . 5332 1 392 . 1 1 63 63 LYS N N 15 119.1 0.1 . 1 . . . . . . . . 5332 1 393 . 1 1 64 64 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 5332 1 394 . 1 1 64 64 ALA HA H 1 4.25 0.02 . 1 . . . . . . . . 5332 1 395 . 1 1 64 64 ALA HB1 H 1 1.52 0.02 . 1 . . . . . . . . 5332 1 396 . 1 1 64 64 ALA HB2 H 1 1.52 0.02 . 1 . . . . . . . . 5332 1 397 . 1 1 64 64 ALA HB3 H 1 1.52 0.02 . 1 . . . . . . . . 5332 1 398 . 1 1 64 64 ALA C C 13 179.4 0.1 . 1 . . . . . . . . 5332 1 399 . 1 1 64 64 ALA CA C 13 54.1 0.1 . 1 . . . . . . . . 5332 1 400 . 1 1 64 64 ALA CB C 13 17.8 0.1 . 1 . . . . . . . . 5332 1 401 . 1 1 64 64 ALA N N 15 121.3 0.1 . 1 . . . . . . . . 5332 1 402 . 1 1 65 65 TYR H H 1 8.62 0.02 . 1 . . . . . . . . 5332 1 403 . 1 1 65 65 TYR HA H 1 4.10 0.02 . 1 . . . . . . . . 5332 1 404 . 1 1 65 65 TYR HB2 H 1 2.91 0.02 . 2 . . . . . . . . 5332 1 405 . 1 1 65 65 TYR HB3 H 1 3.20 0.02 . 2 . . . . . . . . 5332 1 406 . 1 1 65 65 TYR C C 13 177.0 0.1 . 1 . . . . . . . . 5332 1 407 . 1 1 65 65 TYR CA C 13 62.0 0.1 . 1 . . . . . . . . 5332 1 408 . 1 1 65 65 TYR CB C 13 38.5 0.1 . 1 . . . . . . . . 5332 1 409 . 1 1 65 65 TYR N N 15 121.2 0.1 . 1 . . . . . . . . 5332 1 410 . 1 1 66 66 ALA H H 1 8.60 0.02 . 1 . . . . . . . . 5332 1 411 . 1 1 66 66 ALA HA H 1 3.80 0.02 . 1 . . . . . . . . 5332 1 412 . 1 1 66 66 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 5332 1 413 . 1 1 66 66 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 5332 1 414 . 1 1 66 66 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 5332 1 415 . 1 1 66 66 ALA C C 13 179.5 0.1 . 1 . . . . . . . . 5332 1 416 . 1 1 66 66 ALA CA C 13 54.8 0.1 . 1 . . . . . . . . 5332 1 417 . 1 1 66 66 ALA CB C 13 18.5 0.1 . 1 . . . . . . . . 5332 1 418 . 1 1 66 66 ALA N N 15 119.0 0.1 . 1 . . . . . . . . 5332 1 419 . 1 1 67 67 GLN H H 1 7.65 0.02 . 1 . . . . . . . . 5332 1 420 . 1 1 67 67 GLN HA H 1 4.05 0.02 . 1 . . . . . . . . 5332 1 421 . 1 1 67 67 GLN HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5332 1 422 . 1 1 67 67 GLN C C 13 178.1 0.1 . 1 . . . . . . . . 5332 1 423 . 1 1 67 67 GLN CA C 13 58.5 0.1 . 1 . . . . . . . . 5332 1 424 . 1 1 67 67 GLN CB C 13 28.0 0.1 . 1 . . . . . . . . 5332 1 425 . 1 1 67 67 GLN N N 15 117.5 0.1 . 1 . . . . . . . . 5332 1 426 . 1 1 68 68 HIS H H 1 7.55 0.02 . 1 . . . . . . . . 5332 1 427 . 1 1 68 68 HIS HA H 1 4.30 0.02 . 1 . . . . . . . . 5332 1 428 . 1 1 68 68 HIS HB2 H 1 2.92 0.2 . 2 . . . . . . . . 5332 1 429 . 1 1 68 68 HIS C C 13 176.7 0.1 . 1 . . . . . . . . 5332 1 430 . 1 1 68 68 HIS CA C 13 59.8 0.1 . 1 . . . . . . . . 5332 1 431 . 1 1 68 68 HIS CB C 13 30.2 0.1 . 1 . . . . . . . . 5332 1 432 . 1 1 68 68 HIS N N 15 121.3 0.1 . 1 . . . . . . . . 5332 1 433 . 1 1 69 69 VAL H H 1 7.99 0.02 . 1 . . . . . . . . 5332 1 434 . 1 1 69 69 VAL HA H 1 3.41 0.02 . 1 . . . . . . . . 5332 1 435 . 1 1 69 69 VAL HB H 1 1.80 0.02 . 1 . . . . . . . . 5332 1 436 . 1 1 69 69 VAL C C 13 178.1 0.1 . 1 . . . . . . . . 5332 1 437 . 1 1 69 69 VAL CA C 13 66.3 0.1 . 1 . . . . . . . . 5332 1 438 . 1 1 69 69 VAL CB C 13 31.4 0.1 . 1 . . . . . . . . 5332 1 439 . 1 1 69 69 VAL N N 15 119.2 0.1 . 1 . . . . . . . . 5332 1 440 . 1 1 70 70 PHE H H 1 8.36 0.02 . 1 . . . . . . . . 5332 1 441 . 1 1 70 70 PHE HA H 1 3.45 0.02 . 1 . . . . . . . . 5332 1 442 . 1 1 70 70 PHE HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5332 1 443 . 1 1 70 70 PHE C C 13 179.7 0.1 . 1 . . . . . . . . 5332 1 444 . 1 1 70 70 PHE CA C 13 62.0 0.1 . 1 . . . . . . . . 5332 1 445 . 1 1 70 70 PHE CB C 13 38.6 0.1 . 1 . . . . . . . . 5332 1 446 . 1 1 70 70 PHE N N 15 120.8 0.1 . 1 . . . . . . . . 5332 1 447 . 1 1 71 71 ARG H H 1 8.15 0.02 . 1 . . . . . . . . 5332 1 448 . 1 1 71 71 ARG HA H 1 4.20 0.02 . 1 . . . . . . . . 5332 1 449 . 1 1 71 71 ARG C C 13 178.3 0.1 . 1 . . . . . . . . 5332 1 450 . 1 1 71 71 ARG CA C 13 60.5 0.1 . 1 . . . . . . . . 5332 1 451 . 1 1 71 71 ARG N N 15 118.7 0.1 . 1 . . . . . . . . 5332 1 452 . 1 1 72 72 SER H H 1 7.70 0.02 . 1 . . . . . . . . 5332 1 453 . 1 1 72 72 SER HA H 1 4.15 0.02 . 1 . . . . . . . . 5332 1 454 . 1 1 72 72 SER HB2 H 1 3.95 0.02 . 2 . . . . . . . . 5332 1 455 . 1 1 72 72 SER C C 13 174.6 0.1 . 1 . . . . . . . . 5332 1 456 . 1 1 72 72 SER CA C 13 61.0 0.1 . 1 . . . . . . . . 5332 1 457 . 1 1 72 72 SER CB C 13 62.5 0.1 . 1 . . . . . . . . 5332 1 458 . 1 1 72 72 SER N N 15 114.8 0.1 . 1 . . . . . . . . 5332 1 459 . 1 1 73 73 PHE H H 1 7.85 0.02 . 1 . . . . . . . . 5332 1 460 . 1 1 73 73 PHE HA H 1 4.35 0.02 . 1 . . . . . . . . 5332 1 461 . 1 1 73 73 PHE HB2 H 1 3.00 0.02 . 2 . . . . . . . . 5332 1 462 . 1 1 73 73 PHE CA C 13 59.2 0.1 . 1 . . . . . . . . 5332 1 463 . 1 1 73 73 PHE CB C 13 39.4 0.1 . 1 . . . . . . . . 5332 1 464 . 1 1 73 73 PHE N N 15 120.1 0.1 . 1 . . . . . . . . 5332 1 465 . 1 1 74 74 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . 5332 1 466 . 1 1 74 74 ASP HB2 H 1 2.93 0.02 . 2 . . . . . . . . 5332 1 467 . 1 1 74 74 ASP HB3 H 1 3.04 0.02 . 2 . . . . . . . . 5332 1 468 . 1 1 74 74 ASP C C 13 175.4 0.1 . 1 . . . . . . . . 5332 1 469 . 1 1 74 74 ASP CA C 13 52.7 0.1 . 1 . . . . . . . . 5332 1 470 . 1 1 74 74 ASP CB C 13 38.47 0.1 . 1 . . . . . . . . 5332 1 471 . 1 1 75 75 ALA H H 1 7.83 0.02 . 1 . . . . . . . . 5332 1 472 . 1 1 75 75 ALA CA C 13 52.3 0.1 . 1 . . . . . . . . 5332 1 473 . 1 1 78 78 ASP HA H 1 4.75 0.02 . 1 . . . . . . . . 5332 1 474 . 1 1 78 78 ASP HB2 H 1 3.00 0.02 . 2 . . . . . . . . 5332 1 475 . 1 1 78 78 ASP C C 13 177.5 0.1 . 1 . . . . . . . . 5332 1 476 . 1 1 78 78 ASP CA C 13 53.0 0.1 . 1 . . . . . . . . 5332 1 477 . 1 1 78 78 ASP CB C 13 40.6 0.1 . 1 . . . . . . . . 5332 1 478 . 1 1 79 79 GLY H H 1 8.90 0.02 . 1 . . . . . . . . 5332 1 479 . 1 1 79 79 GLY HA2 H 1 4.40 0.02 . 2 . . . . . . . . 5332 1 480 . 1 1 79 79 GLY HA3 H 1 3.80 0.02 . 2 . . . . . . . . 5332 1 481 . 1 1 79 79 GLY C C 13 174.0 0.1 . 1 . . . . . . . . 5332 1 482 . 1 1 79 79 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 5332 1 483 . 1 1 79 79 GLY N N 15 109.8 0.1 . 1 . . . . . . . . 5332 1 484 . 1 1 80 80 THR H H 1 8.18 0.02 . 1 . . . . . . . . 5332 1 485 . 1 1 80 80 THR HA H 1 5.23 0.02 . 1 . . . . . . . . 5332 1 486 . 1 1 80 80 THR HB H 1 4.15 0.02 . 1 . . . . . . . . 5332 1 487 . 1 1 80 80 THR C C 13 173.0 0.1 . 1 . . . . . . . . 5332 1 488 . 1 1 80 80 THR CA C 13 59.5 0.1 . 1 . . . . . . . . 5332 1 489 . 1 1 80 80 THR CB C 13 72.4 0.1 . 1 . . . . . . . . 5332 1 490 . 1 1 80 80 THR N N 15 111.1 0.1 . 1 . . . . . . . . 5332 1 491 . 1 1 81 81 LEU H H 1 9.20 0.02 . 1 . . . . . . . . 5332 1 492 . 1 1 81 81 LEU HA H 1 5.64 0.02 . 1 . . . . . . . . 5332 1 493 . 1 1 81 81 LEU HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5332 1 494 . 1 1 81 81 LEU C C 13 176.0 0.1 . 1 . . . . . . . . 5332 1 495 . 1 1 81 81 LEU CA C 13 53.8 0.1 . 1 . . . . . . . . 5332 1 496 . 1 1 81 81 LEU CB C 13 43.5 0.1 . 1 . . . . . . . . 5332 1 497 . 1 1 81 81 LEU N N 15 120.1 0.1 . 1 . . . . . . . . 5332 1 498 . 1 1 82 82 ASP H H 1 8.90 0.02 . 1 . . . . . . . . 5332 1 499 . 1 1 82 82 ASP HA H 1 4.85 0.02 . 1 . . . . . . . . 5332 1 500 . 1 1 82 82 ASP HB2 H 1 2.66 0.02 . 2 . . . . . . . . 5332 1 501 . 1 1 82 82 ASP C C 13 175.0 0.1 . 1 . . . . . . . . 5332 1 502 . 1 1 82 82 ASP CA C 13 53.0 0.1 . 1 . . . . . . . . 5332 1 503 . 1 1 82 82 ASP CB C 13 41.5 0.1 . 1 . . . . . . . . 5332 1 504 . 1 1 82 82 ASP N N 15 123.5 0.1 . 1 . . . . . . . . 5332 1 505 . 1 1 83 83 PHE H H 1 8.94 0.02 . 1 . . . . . . . . 5332 1 506 . 1 1 83 83 PHE HA H 1 4.20 0.02 . 1 . . . . . . . . 5332 1 507 . 1 1 83 83 PHE HB2 H 1 3.20 0.02 . 2 . . . . . . . . 5332 1 508 . 1 1 83 83 PHE C C 13 176.0 0.1 . 1 . . . . . . . . 5332 1 509 . 1 1 83 83 PHE CA C 13 61.7 0.1 . 1 . . . . . . . . 5332 1 510 . 1 1 83 83 PHE CB C 13 40.5 0.1 . 1 . . . . . . . . 5332 1 511 . 1 1 83 83 PHE N N 15 129.0 0.1 . 1 . . . . . . . . 5332 1 512 . 1 1 84 84 LYS H H 1 8.70 0.02 . 1 . . . . . . . . 5332 1 513 . 1 1 84 84 LYS HA H 1 3.87 0.02 . 1 . . . . . . . . 5332 1 514 . 1 1 84 84 LYS C C 13 178.0 0.1 . 1 . . . . . . . . 5332 1 515 . 1 1 84 84 LYS CA C 13 59.5 0.1 . 1 . . . . . . . . 5332 1 516 . 1 1 84 84 LYS CB C 13 31.7 0.1 . 1 . . . . . . . . 5332 1 517 . 1 1 84 84 LYS N N 15 118.7 0.1 . 1 . . . . . . . . 5332 1 518 . 1 1 85 85 GLU H H 1 8.10 0.02 . 1 . . . . . . . . 5332 1 519 . 1 1 85 85 GLU HA H 1 3.90 0.02 . 1 . . . . . . . . 5332 1 520 . 1 1 85 85 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5332 1 521 . 1 1 85 85 GLU C C 13 178.8 0.1 . 1 . . . . . . . . 5332 1 522 . 1 1 85 85 GLU CA C 13 59.2 0.1 . 1 . . . . . . . . 5332 1 523 . 1 1 85 85 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 5332 1 524 . 1 1 85 85 GLU N N 15 118.0 0.1 . 1 . . . . . . . . 5332 1 525 . 1 1 86 86 TYR H H 1 7.98 0.02 . 1 . . . . . . . . 5332 1 526 . 1 1 86 86 TYR HA H 1 3.70 0.02 . 1 . . . . . . . . 5332 1 527 . 1 1 86 86 TYR HB2 H 1 2.50 0.02 . 2 . . . . . . . . 5332 1 528 . 1 1 86 86 TYR C C 13 176.0 0.1 . 1 . . . . . . . . 5332 1 529 . 1 1 86 86 TYR CA C 13 61.2 0.1 . 1 . . . . . . . . 5332 1 530 . 1 1 86 86 TYR CB C 13 37.9 0.1 . 1 . . . . . . . . 5332 1 531 . 1 1 86 86 TYR N N 15 119.5 0.1 . 1 . . . . . . . . 5332 1 532 . 1 1 87 87 VAL H H 1 8.40 0.02 . 1 . . . . . . . . 5332 1 533 . 1 1 87 87 VAL HA H 1 3.08 0.02 . 1 . . . . . . . . 5332 1 534 . 1 1 87 87 VAL HB H 1 2.10 0.02 . 1 . . . . . . . . 5332 1 535 . 1 1 87 87 VAL C C 13 178.8 0.1 . 1 . . . . . . . . 5332 1 536 . 1 1 87 87 VAL CA C 13 67.0 0.1 . 1 . . . . . . . . 5332 1 537 . 1 1 87 87 VAL CB C 13 31.2 0.1 . 1 . . . . . . . . 5332 1 538 . 1 1 87 87 VAL N N 15 119.2 0.1 . 1 . . . . . . . . 5332 1 539 . 1 1 88 88 ILE H H 1 8.60 0.02 . 1 . . . . . . . . 5332 1 540 . 1 1 88 88 ILE HA H 1 3.72 0.02 . 1 . . . . . . . . 5332 1 541 . 1 1 88 88 ILE HB H 1 2.05 0.02 . 1 . . . . . . . . 5332 1 542 . 1 1 88 88 ILE C C 13 177.0 0.1 . 1 . . . . . . . . 5332 1 543 . 1 1 88 88 ILE CA C 13 66.0 0.1 . 1 . . . . . . . . 5332 1 544 . 1 1 88 88 ILE CB C 13 37.8 0.1 . 1 . . . . . . . . 5332 1 545 . 1 1 88 88 ILE N N 15 123.4 0.1 . 1 . . . . . . . . 5332 1 546 . 1 1 89 89 ALA H H 1 8.45 0.02 . 1 . . . . . . . . 5332 1 547 . 1 1 89 89 ALA HA H 1 3.80 0.02 . 1 . . . . . . . . 5332 1 548 . 1 1 89 89 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 5332 1 549 . 1 1 89 89 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5332 1 550 . 1 1 89 89 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 5332 1 551 . 1 1 89 89 ALA C C 13 180.0 0.1 . 1 . . . . . . . . 5332 1 552 . 1 1 89 89 ALA CA C 13 55.1 0.1 . 1 . . . . . . . . 5332 1 553 . 1 1 89 89 ALA CB C 13 18.0 0.1 . 1 . . . . . . . . 5332 1 554 . 1 1 89 89 ALA N N 15 123.8 0.1 . 1 . . . . . . . . 5332 1 555 . 1 1 90 90 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 5332 1 556 . 1 1 90 90 LEU HA H 1 3.81 0.02 . 1 . . . . . . . . 5332 1 557 . 1 1 90 90 LEU HB2 H 1 1.50 0.02 . 2 . . . . . . . . 5332 1 558 . 1 1 90 90 LEU C C 13 179.0 0.1 . 1 . . . . . . . . 5332 1 559 . 1 1 90 90 LEU CA C 13 57.3 0.1 . 1 . . . . . . . . 5332 1 560 . 1 1 90 90 LEU CB C 13 41.1 0.1 . 1 . . . . . . . . 5332 1 561 . 1 1 90 90 LEU N N 15 120.0 0.1 . 1 . . . . . . . . 5332 1 562 . 1 1 91 91 HIS H H 1 8.40 0.02 . 1 . . . . . . . . 5332 1 563 . 1 1 91 91 HIS HA H 1 4.40 0.02 . 1 . . . . . . . . 5332 1 564 . 1 1 91 91 HIS HB2 H 1 3.25 0.02 . 1 . . . . . . . . 5332 1 565 . 1 1 91 91 HIS C C 13 178.0 0.1 . 1 . . . . . . . . 5332 1 566 . 1 1 91 91 HIS CA C 13 59.8 0.1 . 1 . . . . . . . . 5332 1 567 . 1 1 91 91 HIS CB C 13 29.9 0.1 . 1 . . . . . . . . 5332 1 568 . 1 1 91 91 HIS N N 15 117.8 0.1 . 1 . . . . . . . . 5332 1 569 . 1 1 92 92 MET H H 1 8.65 0.02 . 1 . . . . . . . . 5332 1 570 . 1 1 92 92 MET HA H 1 4.05 0.02 . 1 . . . . . . . . 5332 1 571 . 1 1 92 92 MET HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5332 1 572 . 1 1 92 92 MET C C 13 177.8 0.1 . 1 . . . . . . . . 5332 1 573 . 1 1 92 92 MET CA C 13 57.7 0.1 . 1 . . . . . . . . 5332 1 574 . 1 1 92 92 MET CB C 13 31.20 0.1 . 1 . . . . . . . . 5332 1 575 . 1 1 92 92 MET N N 15 116.0 0.1 . 1 . . . . . . . . 5332 1 576 . 1 1 93 93 THR H H 1 7.60 0.02 . 1 . . . . . . . . 5332 1 577 . 1 1 93 93 THR HA H 1 4.22 0.02 . 1 . . . . . . . . 5332 1 578 . 1 1 93 93 THR C C 13 174.5 0.1 . 1 . . . . . . . . 5332 1 579 . 1 1 93 93 THR CA C 13 62.8 0.1 . 1 . . . . . . . . 5332 1 580 . 1 1 93 93 THR CB C 13 69.4 0.1 . 1 . . . . . . . . 5332 1 581 . 1 1 93 93 THR N N 15 108.1 0.1 . 1 . . . . . . . . 5332 1 582 . 1 1 94 94 SER H H 1 7.23 0.02 . 1 . . . . . . . . 5332 1 583 . 1 1 94 94 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 5332 1 584 . 1 1 94 94 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 5332 1 585 . 1 1 94 94 SER C C 13 174.1 0.1 . 1 . . . . . . . . 5332 1 586 . 1 1 94 94 SER CA C 13 58.5 0.1 . 1 . . . . . . . . 5332 1 587 . 1 1 94 94 SER CB C 13 64.5 0.1 . 1 . . . . . . . . 5332 1 588 . 1 1 94 94 SER N N 15 116.1 0.1 . 1 . . . . . . . . 5332 1 589 . 1 1 95 95 ALA H H 1 8.31 0.02 . 1 . . . . . . . . 5332 1 590 . 1 1 95 95 ALA HA H 1 4.3 0.02 . 1 . . . . . . . . 5332 1 591 . 1 1 95 95 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 5332 1 592 . 1 1 95 95 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 5332 1 593 . 1 1 95 95 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 5332 1 594 . 1 1 95 95 ALA CA C 13 52.79 0.1 . 1 . . . . . . . . 5332 1 595 . 1 1 95 95 ALA CB C 13 19.16 0.1 . 1 . . . . . . . . 5332 1 596 . 1 1 95 95 ALA N N 15 124.5 0.1 . 1 . . . . . . . . 5332 1 597 . 1 1 96 96 GLY H H 1 8.31 0.02 . 1 . . . . . . . . 5332 1 598 . 1 1 96 96 GLY HA2 H 1 3.90 0.02 . 2 . . . . . . . . 5332 1 599 . 1 1 96 96 GLY CA C 13 45.5 0.1 . 1 . . . . . . . . 5332 1 600 . 1 1 96 96 GLY N N 15 107.9 0.1 . 1 . . . . . . . . 5332 1 601 . 1 1 102 102 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 5332 1 602 . 1 1 102 102 LEU HA H 1 4.41 0.02 . 1 . . . . . . . . 5332 1 603 . 1 1 102 102 LEU HB2 H 1 1.62 0.02 . 2 . . . . . . . . 5332 1 604 . 1 1 102 102 LEU C C 13 178.3 0.1 . 1 . . . . . . . . 5332 1 605 . 1 1 102 102 LEU CA C 13 57.1 0.1 . 1 . . . . . . . . 5332 1 606 . 1 1 102 102 LEU CB C 13 41.7 0.1 . 1 . . . . . . . . 5332 1 607 . 1 1 102 102 LEU N N 15 120.4 0.1 . 1 . . . . . . . . 5332 1 608 . 1 1 103 103 GLU H H 1 8.30 0.02 . 1 . . . . . . . . 5332 1 609 . 1 1 103 103 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 5332 1 610 . 1 1 103 103 GLU C C 13 179.7 0.1 . 1 . . . . . . . . 5332 1 611 . 1 1 103 103 GLU CA C 13 60.1 0.1 . 1 . . . . . . . . 5332 1 612 . 1 1 103 103 GLU CB C 13 28.7 0.1 . 1 . . . . . . . . 5332 1 613 . 1 1 103 103 GLU N N 15 121.1 0.1 . 1 . . . . . . . . 5332 1 614 . 1 1 104 104 TRP H H 1 8.02 0.02 . 1 . . . . . . . . 5332 1 615 . 1 1 104 104 TRP HA H 1 4.42 0.02 . 1 . . . . . . . . 5332 1 616 . 1 1 104 104 TRP HB2 H 1 3.45 0.02 . 2 . . . . . . . . 5332 1 617 . 1 1 104 104 TRP HB3 H 1 3.60 0.02 . 2 . . . . . . . . 5332 1 618 . 1 1 104 104 TRP CA C 13 60.2 0.1 . 1 . . . . . . . . 5332 1 619 . 1 1 104 104 TRP CB C 13 28.2 0.1 . 1 . . . . . . . . 5332 1 620 . 1 1 104 104 TRP N N 15 121.5 0.1 . 1 . . . . . . . . 5332 1 621 . 1 1 105 105 ALA HA H 1 3.34 0.02 . 1 . . . . . . . . 5332 1 622 . 1 1 105 105 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . 5332 1 623 . 1 1 105 105 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . 5332 1 624 . 1 1 105 105 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . 5332 1 625 . 1 1 105 105 ALA C C 13 178.1 0.1 . 1 . . . . . . . . 5332 1 626 . 1 1 105 105 ALA CA C 13 54.6 0.1 . 1 . . . . . . . . 5332 1 627 . 1 1 105 105 ALA CB C 13 16.9 0.1 . 1 . . . . . . . . 5332 1 628 . 1 1 106 106 PHE H H 1 8.20 0.02 . 1 . . . . . . . . 5332 1 629 . 1 1 106 106 PHE HA H 1 3.10 0.02 . 1 . . . . . . . . 5332 1 630 . 1 1 106 106 PHE HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5332 1 631 . 1 1 106 106 PHE C C 13 175.1 0.1 . 1 . . . . . . . . 5332 1 632 . 1 1 106 106 PHE CA C 13 62.2 0.1 . 1 . . . . . . . . 5332 1 633 . 1 1 106 106 PHE CB C 13 38.1 0.1 . 1 . . . . . . . . 5332 1 634 . 1 1 106 106 PHE N N 15 118.8 0.1 . 1 . . . . . . . . 5332 1 635 . 1 1 107 107 SER H H 1 7.35 0.02 . 1 . . . . . . . . 5332 1 636 . 1 1 107 107 SER HA H 1 4.06 0.02 . 1 . . . . . . . . 5332 1 637 . 1 1 107 107 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 5332 1 638 . 1 1 107 107 SER C C 13 175.7 0.1 . 1 . . . . . . . . 5332 1 639 . 1 1 107 107 SER CA C 13 61.1 0.1 . 1 . . . . . . . . 5332 1 640 . 1 1 107 107 SER CB C 13 63.1 0.1 . 1 . . . . . . . . 5332 1 641 . 1 1 107 107 SER N N 15 113.7 0.1 . 1 . . . . . . . . 5332 1 642 . 1 1 108 108 LEU H H 1 7.65 0.02 . 1 . . . . . . . . 5332 1 643 . 1 1 108 108 LEU HA H 1 3.55 0.02 . 1 . . . . . . . . 5332 1 644 . 1 1 108 108 LEU HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5332 1 645 . 1 1 108 108 LEU C C 13 176.9 0.1 . 1 . . . . . . . . 5332 1 646 . 1 1 108 108 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 5332 1 647 . 1 1 108 108 LEU CB C 13 41.4 0.1 . 1 . . . . . . . . 5332 1 648 . 1 1 108 108 LEU N N 15 122.6 0.1 . 1 . . . . . . . . 5332 1 649 . 1 1 109 109 TYR H H 1 7.70 0.02 . 1 . . . . . . . . 5332 1 650 . 1 1 109 109 TYR HA H 1 3.76 0.02 . 1 . . . . . . . . 5332 1 651 . 1 1 109 109 TYR HB2 H 1 2.44 0.02 . 2 . . . . . . . . 5332 1 652 . 1 1 109 109 TYR C C 13 175.3 0.1 . 1 . . . . . . . . 5332 1 653 . 1 1 109 109 TYR CA C 13 61.3 0.1 . 1 . . . . . . . . 5332 1 654 . 1 1 109 109 TYR CB C 13 39.0 0.1 . 1 . . . . . . . . 5332 1 655 . 1 1 109 109 TYR N N 15 115.6 0.1 . 1 . . . . . . . . 5332 1 656 . 1 1 110 110 ASP H H 1 7.45 0.1 . 1 . . . . . . . . 5332 1 657 . 1 1 110 110 ASP C C 13 177.8 0.1 . 1 . . . . . . . . 5332 1 658 . 1 1 110 110 ASP CA C 13 51.6 0.1 . 1 . . . . . . . . 5332 1 659 . 1 1 110 110 ASP CB C 13 37.5 0.1 . 1 . . . . . . . . 5332 1 660 . 1 1 110 110 ASP N N 15 116.8 0.1 . 1 . . . . . . . . 5332 1 661 . 1 1 111 111 VAL H H 1 7.74 0.02 . 1 . . . . . . . . 5332 1 662 . 1 1 111 111 VAL HA H 1 3.42 0.02 . 1 . . . . . . . . 5332 1 663 . 1 1 111 111 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . 5332 1 664 . 1 1 111 111 VAL C C 13 178.3 0.1 . 1 . . . . . . . . 5332 1 665 . 1 1 111 111 VAL CA C 13 66.4 0.1 . 1 . . . . . . . . 5332 1 666 . 1 1 111 111 VAL CB C 13 32.3 0.1 . 1 . . . . . . . . 5332 1 667 . 1 1 111 111 VAL N N 15 126.1 0.1 . 1 . . . . . . . . 5332 1 668 . 1 1 112 112 ASP H H 1 8.62 0.02 . 1 . . . . . . . . 5332 1 669 . 1 1 112 112 ASP HA H 1 4.42 0.02 . 1 . . . . . . . . 5332 1 670 . 1 1 112 112 ASP HB2 H 1 3.06 0.02 . 2 . . . . . . . . 5332 1 671 . 1 1 112 112 ASP HB3 H 1 2.59 0.02 . 2 . . . . . . . . 5332 1 672 . 1 1 112 112 ASP C C 13 177.9 0.1 . 1 . . . . . . . . 5332 1 673 . 1 1 112 112 ASP CA C 13 53.3 0.1 . 1 . . . . . . . . 5332 1 674 . 1 1 112 112 ASP CB C 13 40.0 0.1 . 1 . . . . . . . . 5332 1 675 . 1 1 112 112 ASP N N 15 115.1 0.1 . 1 . . . . . . . . 5332 1 676 . 1 1 113 113 GLY H H 1 7.82 0.02 . 1 . . . . . . . . 5332 1 677 . 1 1 113 113 GLY HA2 H 1 3.78 0.02 . 2 . . . . . . . . 5332 1 678 . 1 1 113 113 GLY HA3 H 1 3.87 0.02 . 2 . . . . . . . . 5332 1 679 . 1 1 113 113 GLY C C 13 175.09 0.1 . 1 . . . . . . . . 5332 1 680 . 1 1 113 113 GLY CA C 13 47.1 0.1 . 1 . . . . . . . . 5332 1 681 . 1 1 113 113 GLY N N 15 109.9 0.1 . 1 . . . . . . . . 5332 1 682 . 1 1 114 114 ASN H H 1 8.38 0.02 . 1 . . . . . . . . 5332 1 683 . 1 1 114 114 ASN HA H 1 4.60 0.02 . 1 . . . . . . . . 5332 1 684 . 1 1 114 114 ASN HB2 H 1 2.60 0.02 . 2 . . . . . . . . 5332 1 685 . 1 1 114 114 ASN C C 13 177.1 0.1 . 1 . . . . . . . . 5332 1 686 . 1 1 114 114 ASN CA C 13 52.82 0.1 . 1 . . . . . . . . 5332 1 687 . 1 1 114 114 ASN CB C 13 37.9 0.1 . 1 . . . . . . . . 5332 1 688 . 1 1 114 114 ASN N N 15 119.5 0.1 . 1 . . . . . . . . 5332 1 689 . 1 1 115 115 GLY H H 1 10.76 0.02 . 1 . . . . . . . . 5332 1 690 . 1 1 115 115 GLY HA2 H 1 3.69 0.02 . 2 . . . . . . . . 5332 1 691 . 1 1 115 115 GLY HA3 H 1 4.47 0.02 . 2 . . . . . . . . 5332 1 692 . 1 1 115 115 GLY C C 13 173.7 0.1 . 1 . . . . . . . . 5332 1 693 . 1 1 115 115 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 5332 1 694 . 1 1 115 115 GLY N N 15 115.0 0.1 . 1 . . . . . . . . 5332 1 695 . 1 1 116 116 THR H H 1 7.76 0.02 . 1 . . . . . . . . 5332 1 696 . 1 1 116 116 THR HA H 1 5.15 0.02 . 1 . . . . . . . . 5332 1 697 . 1 1 116 116 THR HB H 1 3.90 0.02 . 1 . . . . . . . . 5332 1 698 . 1 1 116 116 THR C C 13 173.5 0.1 . 1 . . . . . . . . 5332 1 699 . 1 1 116 116 THR CA C 13 59.1 0.1 . 1 . . . . . . . . 5332 1 700 . 1 1 116 116 THR CB C 13 73.3 0.1 . 1 . . . . . . . . 5332 1 701 . 1 1 116 116 THR N N 15 108.6 0.1 . 1 . . . . . . . . 5332 1 702 . 1 1 117 117 ILE H H 1 9.63 0.02 . 1 . . . . . . . . 5332 1 703 . 1 1 117 117 ILE HA H 1 5.01 0.02 . 1 . . . . . . . . 5332 1 704 . 1 1 117 117 ILE HB H 1 1.67 0.02 . 1 . . . . . . . . 5332 1 705 . 1 1 117 117 ILE C C 13 175.5 0.1 . 1 . . . . . . . . 5332 1 706 . 1 1 117 117 ILE CA C 13 60.0 0.1 . 1 . . . . . . . . 5332 1 707 . 1 1 117 117 ILE CB C 13 40.6 0.1 . 1 . . . . . . . . 5332 1 708 . 1 1 117 117 ILE N N 15 126.2 0.1 . 1 . . . . . . . . 5332 1 709 . 1 1 118 118 SER H H 1 9.09 0.02 . 1 . . . . . . . . 5332 1 710 . 1 1 118 118 SER HA H 1 5.09 0.02 . 1 . . . . . . . . 5332 1 711 . 1 1 118 118 SER HB2 H 1 3.89 0.02 . 2 . . . . . . . . 5332 1 712 . 1 1 118 118 SER C C 13 175.4 0.1 . 1 . . . . . . . . 5332 1 713 . 1 1 118 118 SER CA C 13 56.0 0.1 . 1 . . . . . . . . 5332 1 714 . 1 1 118 118 SER CB C 13 66.4 0.1 . 1 . . . . . . . . 5332 1 715 . 1 1 118 118 SER N N 15 122.3 0.1 . 1 . . . . . . . . 5332 1 716 . 1 1 119 119 LYS H H 1 8.81 0.02 . 1 . . . . . . . . 5332 1 717 . 1 1 119 119 LYS HA H 1 2.49 0.02 . 1 . . . . . . . . 5332 1 718 . 1 1 119 119 LYS HB2 H 1 1.24 0.02 . 2 . . . . . . . . 5332 1 719 . 1 1 119 119 LYS C C 13 177.9 0.1 . 1 . . . . . . . . 5332 1 720 . 1 1 119 119 LYS CA C 13 60.4 0.1 . 1 . . . . . . . . 5332 1 721 . 1 1 119 119 LYS CB C 13 31.9 0.1 . 1 . . . . . . . . 5332 1 722 . 1 1 119 119 LYS N N 15 125.6 0.1 . 1 . . . . . . . . 5332 1 723 . 1 1 120 120 ASN H H 1 8.23 0.02 . 1 . . . . . . . . 5332 1 724 . 1 1 120 120 ASN HA H 1 4.25 0.02 . 1 . . . . . . . . 5332 1 725 . 1 1 120 120 ASN HB2 H 1 2.70 0.02 . 2 . . . . . . . . 5332 1 726 . 1 1 120 120 ASN C C 13 177.7 0.1 . 1 . . . . . . . . 5332 1 727 . 1 1 120 120 ASN CA C 13 56.1 0.1 . 1 . . . . . . . . 5332 1 728 . 1 1 120 120 ASN CB C 13 37.2 0.1 . 1 . . . . . . . . 5332 1 729 . 1 1 120 120 ASN N N 15 113.3 0.1 . 1 . . . . . . . . 5332 1 730 . 1 1 121 121 GLU H H 1 7.54 0.02 . 1 . . . . . . . . 5332 1 731 . 1 1 121 121 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 5332 1 732 . 1 1 121 121 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 5332 1 733 . 1 1 121 121 GLU C C 13 177.9 0.1 . 1 . . . . . . . . 5332 1 734 . 1 1 121 121 GLU CA C 13 60.2 0.1 . 1 . . . . . . . . 5332 1 735 . 1 1 121 121 GLU CB C 13 28.4 0.1 . 1 . . . . . . . . 5332 1 736 . 1 1 121 121 GLU N N 15 122.6 0.1 . 1 . . . . . . . . 5332 1 737 . 1 1 122 122 VAL H H 1 7.27 0.02 . 1 . . . . . . . . 5332 1 738 . 1 1 122 122 VAL HA H 1 3.90 0.02 . 1 . . . . . . . . 5332 1 739 . 1 1 122 122 VAL HB H 1 2.35 0.02 . 1 . . . . . . . . 5332 1 740 . 1 1 122 122 VAL C C 13 178.0 0.1 . 1 . . . . . . . . 5332 1 741 . 1 1 122 122 VAL CA C 13 67.1 0.1 . 1 . . . . . . . . 5332 1 742 . 1 1 122 122 VAL CB C 13 31.2 0.1 . 1 . . . . . . . . 5332 1 743 . 1 1 122 122 VAL N N 15 117.4 0.1 . 1 . . . . . . . . 5332 1 744 . 1 1 123 123 LEU H H 1 7.96 0.02 . 1 . . . . . . . . 5332 1 745 . 1 1 123 123 LEU HA H 1 3.96 0.02 . 1 . . . . . . . . 5332 1 746 . 1 1 123 123 LEU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5332 1 747 . 1 1 123 123 LEU HB3 H 1 1.35 0.02 . 2 . . . . . . . . 5332 1 748 . 1 1 123 123 LEU C C 13 179.4 0.1 . 1 . . . . . . . . 5332 1 749 . 1 1 123 123 LEU CA C 13 58.3 0.1 . 1 . . . . . . . . 5332 1 750 . 1 1 123 123 LEU CB C 13 41.2 0.1 . 1 . . . . . . . . 5332 1 751 . 1 1 123 123 LEU N N 15 117.8 0.1 . 1 . . . . . . . . 5332 1 752 . 1 1 124 124 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 5332 1 753 . 1 1 124 124 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 5332 1 754 . 1 1 124 124 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 5332 1 755 . 1 1 124 124 GLU C C 13 178.7 0.1 . 1 . . . . . . . . 5332 1 756 . 1 1 124 124 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 5332 1 757 . 1 1 124 124 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5332 1 758 . 1 1 124 124 GLU N N 15 123.7 0.1 . 1 . . . . . . . . 5332 1 759 . 1 1 125 125 ILE H H 1 7.73 0.02 . 1 . . . . . . . . 5332 1 760 . 1 1 125 125 ILE HA H 1 3.50 0.02 . 1 . . . . . . . . 5332 1 761 . 1 1 125 125 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 5332 1 762 . 1 1 125 125 ILE C C 13 178.4 0.1 . 1 . . . . . . . . 5332 1 763 . 1 1 125 125 ILE CA C 13 62.1 0.1 . 1 . . . . . . . . 5332 1 764 . 1 1 125 125 ILE CB C 13 35.5 0.1 . 1 . . . . . . . . 5332 1 765 . 1 1 125 125 ILE N N 15 117.9 0.1 . 1 . . . . . . . . 5332 1 766 . 1 1 126 126 VAL H H 1 8.87 0.02 . 1 . . . . . . . . 5332 1 767 . 1 1 126 126 VAL HA H 1 3.85 0.02 . 1 . . . . . . . . 5332 1 768 . 1 1 126 126 VAL HB H 1 2.38 0.02 . 1 . . . . . . . . 5332 1 769 . 1 1 126 126 VAL C C 13 178.8 0.1 . 1 . . . . . . . . 5332 1 770 . 1 1 126 126 VAL CA C 13 66.6 0.1 . 1 . . . . . . . . 5332 1 771 . 1 1 126 126 VAL CB C 13 31.2 0.1 . 1 . . . . . . . . 5332 1 772 . 1 1 126 126 VAL N N 15 117.7 0.1 . 1 . . . . . . . . 5332 1 773 . 1 1 127 127 THR H H 1 8.59 0.02 . 1 . . . . . . . . 5332 1 774 . 1 1 127 127 THR HA H 1 3.79 0.02 . 1 . . . . . . . . 5332 1 775 . 1 1 127 127 THR C C 13 175.4 0.1 . 1 . . . . . . . . 5332 1 776 . 1 1 127 127 THR CA C 13 68.20 0.1 . 1 . . . . . . . . 5332 1 777 . 1 1 127 127 THR CB C 13 68.7 0.1 . 1 . . . . . . . . 5332 1 778 . 1 1 127 127 THR N N 15 117.9 0.1 . 1 . . . . . . . . 5332 1 779 . 1 1 128 128 ALA H H 1 7.55 0.02 . 1 . . . . . . . . 5332 1 780 . 1 1 128 128 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 5332 1 781 . 1 1 128 128 ALA HB1 H 1 1.67 0.02 . 1 . . . . . . . . 5332 1 782 . 1 1 128 128 ALA HB2 H 1 1.67 0.02 . 1 . . . . . . . . 5332 1 783 . 1 1 128 128 ALA HB3 H 1 1.67 0.02 . 1 . . . . . . . . 5332 1 784 . 1 1 128 128 ALA CA C 13 55.5 0.1 . 1 . . . . . . . . 5332 1 785 . 1 1 128 128 ALA CB C 13 18.2 0.1 . 1 . . . . . . . . 5332 1 786 . 1 1 128 128 ALA N N 15 124.2 0.1 . 1 . . . . . . . . 5332 1 787 . 1 1 129 129 ILE H H 1 8.43 0.02 . 1 . . . . . . . . 5332 1 788 . 1 1 129 129 ILE HA H 1 3.90 0.02 . 1 . . . . . . . . 5332 1 789 . 1 1 129 129 ILE HB H 1 1.85 0.02 . 1 . . . . . . . . 5332 1 790 . 1 1 129 129 ILE C C 13 177.8 0.1 . 1 . . . . . . . . 5332 1 791 . 1 1 129 129 ILE CA C 13 65.3 0.1 . 1 . . . . . . . . 5332 1 792 . 1 1 129 129 ILE CB C 13 38.0 0.1 . 1 . . . . . . . . 5332 1 793 . 1 1 129 129 ILE N N 15 119.1 0.1 . 1 . . . . . . . . 5332 1 794 . 1 1 130 130 PHE H H 1 8.57 0.02 . 1 . . . . . . . . 5332 1 795 . 1 1 130 130 PHE HA H 1 3.90 0.02 . 1 . . . . . . . . 5332 1 796 . 1 1 130 130 PHE HB2 H 1 3.21 0.02 . 2 . . . . . . . . 5332 1 797 . 1 1 130 130 PHE C C 13 177.9 0.1 . 1 . . . . . . . . 5332 1 798 . 1 1 130 130 PHE CA C 13 61.6 0.1 . 1 . . . . . . . . 5332 1 799 . 1 1 130 130 PHE CB C 13 39.4 0.1 . 1 . . . . . . . . 5332 1 800 . 1 1 130 130 PHE N N 15 121.3 0.1 . 1 . . . . . . . . 5332 1 801 . 1 1 131 131 LYS H H 1 7.52 0.02 . 1 . . . . . . . . 5332 1 802 . 1 1 131 131 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 5332 1 803 . 1 1 131 131 LYS HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5332 1 804 . 1 1 131 131 LYS C C 13 177.6 0.1 . 1 . . . . . . . . 5332 1 805 . 1 1 131 131 LYS CA C 13 58.7 0.1 . 1 . . . . . . . . 5332 1 806 . 1 1 131 131 LYS CB C 13 32.4 0.1 . 1 . . . . . . . . 5332 1 807 . 1 1 131 131 LYS N N 15 117.1 0.1 . 1 . . . . . . . . 5332 1 808 . 1 1 132 132 MET H H 1 7.76 0.02 . 1 . . . . . . . . 5332 1 809 . 1 1 132 132 MET HA H 1 4.45 0.02 . 1 . . . . . . . . 5332 1 810 . 1 1 132 132 MET HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5332 1 811 . 1 1 132 132 MET C C 13 175.9 0.1 . 1 . . . . . . . . 5332 1 812 . 1 1 132 132 MET CA C 13 55.5 0.1 . 1 . . . . . . . . 5332 1 813 . 1 1 132 132 MET CB C 13 33.6 0.1 . 1 . . . . . . . . 5332 1 814 . 1 1 132 132 MET N N 15 115.8 0.1 . 1 . . . . . . . . 5332 1 815 . 1 1 133 133 ILE H H 1 7.36 0.02 . 1 . . . . . . . . 5332 1 816 . 1 1 133 133 ILE HA H 1 4.09 0.02 . 1 . . . . . . . . 5332 1 817 . 1 1 133 133 ILE HB H 1 1.65 0.02 . 1 . . . . . . . . 5332 1 818 . 1 1 133 133 ILE C C 13 175.6 0.1 . 1 . . . . . . . . 5332 1 819 . 1 1 133 133 ILE CA C 13 61.5 0.1 . 1 . . . . . . . . 5332 1 820 . 1 1 133 133 ILE CB C 13 38.4 0.1 . 1 . . . . . . . . 5332 1 821 . 1 1 133 133 ILE N N 15 120.4 0.1 . 1 . . . . . . . . 5332 1 822 . 1 1 134 134 SER H H 1 9.20 0.02 . 1 . . . . . . . . 5332 1 823 . 1 1 134 134 SER CA C 13 57.1 0.1 . 1 . . . . . . . . 5332 1 824 . 1 1 134 134 SER CB C 13 63.3 0.1 . 1 . . . . . . . . 5332 1 825 . 1 1 134 134 SER N N 15 124.6 0.1 . 1 . . . . . . . . 5332 1 826 . 1 1 135 135 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 5332 1 827 . 1 1 135 135 PRO HB2 H 1 2.03 0.02 . 2 . . . . . . . . 5332 1 828 . 1 1 135 135 PRO HB3 H 1 2.44 0.02 . 2 . . . . . . . . 5332 1 829 . 1 1 135 135 PRO C C 13 179.6 0.1 . 1 . . . . . . . . 5332 1 830 . 1 1 135 135 PRO CA C 13 65.8 0.1 . 1 . . . . . . . . 5332 1 831 . 1 1 135 135 PRO CB C 13 31.8 0.1 . 1 . . . . . . . . 5332 1 832 . 1 1 136 136 GLU H H 1 8.54 0.02 . 1 . . . . . . . . 5332 1 833 . 1 1 136 136 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 5332 1 834 . 1 1 136 136 GLU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 5332 1 835 . 1 1 136 136 GLU C C 13 178.2 0.1 . 1 . . . . . . . . 5332 1 836 . 1 1 136 136 GLU CA C 13 59.3 0.1 . 1 . . . . . . . . 5332 1 837 . 1 1 136 136 GLU CB C 13 29.0 0.1 . 1 . . . . . . . . 5332 1 838 . 1 1 136 136 GLU N N 15 117.4 0.1 . 1 . . . . . . . . 5332 1 839 . 1 1 137 137 ASP H H 1 7.85 0.02 . 1 . . . . . . . . 5332 1 840 . 1 1 137 137 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . 5332 1 841 . 1 1 137 137 ASP C C 13 179.8 0.1 . 1 . . . . . . . . 5332 1 842 . 1 1 137 137 ASP CA C 13 56.9 0.1 . 1 . . . . . . . . 5332 1 843 . 1 1 137 137 ASP CB C 13 40.9 0.1 . 1 . . . . . . . . 5332 1 844 . 1 1 137 137 ASP N N 15 119.0 0.1 . 1 . . . . . . . . 5332 1 845 . 1 1 138 138 THR H H 1 8.17 0.02 . 1 . . . . . . . . 5332 1 846 . 1 1 138 138 THR HA H 1 3.94 0.02 . 1 . . . . . . . . 5332 1 847 . 1 1 138 138 THR HB H 1 4.42 0.02 . 1 . . . . . . . . 5332 1 848 . 1 1 138 138 THR C C 13 176.8 0.1 . 1 . . . . . . . . 5332 1 849 . 1 1 138 138 THR CA C 13 65.6 0.1 . 1 . . . . . . . . 5332 1 850 . 1 1 138 138 THR CB C 13 68.9 0.1 . 1 . . . . . . . . 5332 1 851 . 1 1 138 138 THR N N 15 114.7 0.1 . 1 . . . . . . . . 5332 1 852 . 1 1 139 139 LYS H H 1 7.30 0.02 . 1 . . . . . . . . 5332 1 853 . 1 1 139 139 LYS HA H 1 4.16 0.02 . 1 . . . . . . . . 5332 1 854 . 1 1 139 139 LYS HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5332 1 855 . 1 1 139 139 LYS C C 13 176.6 0.1 . 1 . . . . . . . . 5332 1 856 . 1 1 139 139 LYS CA C 13 58.2 0.1 . 1 . . . . . . . . 5332 1 857 . 1 1 139 139 LYS CB C 13 31.9 0.1 . 1 . . . . . . . . 5332 1 858 . 1 1 139 139 LYS N N 15 119.5 0.1 . 1 . . . . . . . . 5332 1 859 . 1 1 140 140 HIS H H 1 7.40 0.02 . 1 . . . . . . . . 5332 1 860 . 1 1 140 140 HIS HA H 1 4.81 0.02 . 1 . . . . . . . . 5332 1 861 . 1 1 140 140 HIS HB2 H 1 3.05 0.02 . 2 . . . . . . . . 5332 1 862 . 1 1 140 140 HIS HB3 H 1 3.47 0.02 . 2 . . . . . . . . 5332 1 863 . 1 1 140 140 HIS C C 13 175.2 0.1 . 1 . . . . . . . . 5332 1 864 . 1 1 140 140 HIS CA C 13 55.1 0.1 . 1 . . . . . . . . 5332 1 865 . 1 1 140 140 HIS CB C 13 30.1 0.1 . 1 . . . . . . . . 5332 1 866 . 1 1 140 140 HIS N N 15 114.6 0.1 . 1 . . . . . . . . 5332 1 867 . 1 1 141 141 LEU H H 1 7.30 0.02 . 1 . . . . . . . . 5332 1 868 . 1 1 141 141 LEU HA H 1 4.81 0.02 . 1 . . . . . . . . 5332 1 869 . 1 1 141 141 LEU HB2 H 1 3.05 0.02 . 2 . . . . . . . . 5332 1 870 . 1 1 141 141 LEU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5332 1 871 . 1 1 141 141 LEU CA C 13 53.4 0.1 . 1 . . . . . . . . 5332 1 872 . 1 1 141 141 LEU CB C 13 41.4 0.1 . 1 . . . . . . . . 5332 1 873 . 1 1 141 141 LEU N N 15 121.4 0.1 . 1 . . . . . . . . 5332 1 874 . 1 1 142 142 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 5332 1 875 . 1 1 142 142 PRO HB2 H 1 2.44 0.02 . 2 . . . . . . . . 5332 1 876 . 1 1 142 142 PRO HB3 H 1 1.95 0.02 . 2 . . . . . . . . 5332 1 877 . 1 1 142 142 PRO C C 13 178.0 0.1 . 1 . . . . . . . . 5332 1 878 . 1 1 142 142 PRO CA C 13 63.2 0.1 . 1 . . . . . . . . 5332 1 879 . 1 1 142 142 PRO CB C 13 32.3 0.1 . 1 . . . . . . . . 5332 1 880 . 1 1 143 143 GLU H H 1 8.70 0.02 . 1 . . . . . . . . 5332 1 881 . 1 1 143 143 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 5332 1 882 . 1 1 143 143 GLU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5332 1 883 . 1 1 143 143 GLU C C 13 175.8 0.1 . 1 . . . . . . . . 5332 1 884 . 1 1 143 143 GLU CA C 13 59.2 0.1 . 1 . . . . . . . . 5332 1 885 . 1 1 143 143 GLU CB C 13 29.6 0.1 . 1 . . . . . . . . 5332 1 886 . 1 1 143 143 GLU N N 15 122.3 0.1 . 1 . . . . . . . . 5332 1 887 . 1 1 144 144 ASP H H 1 8.19 0.02 . 1 . . . . . . . . 5332 1 888 . 1 1 144 144 ASP HA H 1 4.60 0.02 . 1 . . . . . . . . 5332 1 889 . 1 1 144 144 ASP HB2 H 1 2.62 0.02 . 2 . . . . . . . . 5332 1 890 . 1 1 144 144 ASP HB3 H 1 2.98 0.02 . 2 . . . . . . . . 5332 1 891 . 1 1 144 144 ASP C C 13 176.3 0.1 . 1 . . . . . . . . 5332 1 892 . 1 1 144 144 ASP CA C 13 53.4 0.1 . 1 . . . . . . . . 5332 1 893 . 1 1 144 144 ASP CB C 13 39.6 0.1 . 1 . . . . . . . . 5332 1 894 . 1 1 144 144 ASP N N 15 112.9 0.1 . 1 . . . . . . . . 5332 1 895 . 1 1 145 145 GLU H H 1 8.00 0.02 . 1 . . . . . . . . 5332 1 896 . 1 1 145 145 GLU HA H 1 4.47 0.02 . 1 . . . . . . . . 5332 1 897 . 1 1 145 145 GLU HB2 H 1 1.84 0.02 . 1 . . . . . . . . 5332 1 898 . 1 1 145 145 GLU C C 13 176.3 0.1 . 1 . . . . . . . . 5332 1 899 . 1 1 145 145 GLU CA C 13 55.0 0.1 . 1 . . . . . . . . 5332 1 900 . 1 1 145 145 GLU CB C 13 31.3 0.1 . 1 . . . . . . . . 5332 1 901 . 1 1 145 145 GLU N N 15 114.0 0.1 . 1 . . . . . . . . 5332 1 902 . 1 1 146 146 ASN H H 1 7.36 0.02 . 1 . . . . . . . . 5332 1 903 . 1 1 146 146 ASN HA H 1 4.78 0.02 . 1 . . . . . . . . 5332 1 904 . 1 1 146 146 ASN HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5332 1 905 . 1 1 146 146 ASN HB3 H 1 3.36 0.02 . 2 . . . . . . . . 5332 1 906 . 1 1 146 146 ASN C C 13 174.0 0.1 . 1 . . . . . . . . 5332 1 907 . 1 1 146 146 ASN CA C 13 54.0 0.1 . 1 . . . . . . . . 5332 1 908 . 1 1 146 146 ASN CB C 13 38.0 0.1 . 1 . . . . . . . . 5332 1 909 . 1 1 146 146 ASN N N 15 117.6 0.1 . 1 . . . . . . . . 5332 1 910 . 1 1 147 147 THR H H 1 7.21 0.02 . 1 . . . . . . . . 5332 1 911 . 1 1 147 147 THR HA H 1 4.35 0.02 . 1 . . . . . . . . 5332 1 912 . 1 1 147 147 THR CA C 13 58.1 0.1 . 1 . . . . . . . . 5332 1 913 . 1 1 147 147 THR CB C 13 70.3 0.1 . 1 . . . . . . . . 5332 1 914 . 1 1 147 147 THR N N 15 107.1 0.1 . 1 . . . . . . . . 5332 1 915 . 1 1 148 148 PRO HA H 1 3.62 0.02 . 1 . . . . . . . . 5332 1 916 . 1 1 148 148 PRO HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5332 1 917 . 1 1 148 148 PRO HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5332 1 918 . 1 1 148 148 PRO C C 13 177.3 0.1 . 1 . . . . . . . . 5332 1 919 . 1 1 148 148 PRO CA C 13 65.3 0.1 . 1 . . . . . . . . 5332 1 920 . 1 1 148 148 PRO CB C 13 32.2 0.1 . 1 . . . . . . . . 5332 1 921 . 1 1 149 149 GLU H H 1 8.77 0.02 . 1 . . . . . . . . 5332 1 922 . 1 1 149 149 GLU HA H 1 3.75 0.02 . 1 . . . . . . . . 5332 1 923 . 1 1 149 149 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5332 1 924 . 1 1 149 149 GLU C C 13 179.3 0.1 . 1 . . . . . . . . 5332 1 925 . 1 1 149 149 GLU CA C 13 61.1 0.1 . 1 . . . . . . . . 5332 1 926 . 1 1 149 149 GLU CB C 13 28.5 0.1 . 1 . . . . . . . . 5332 1 927 . 1 1 149 149 GLU N N 15 116.8 0.1 . 1 . . . . . . . . 5332 1 928 . 1 1 150 150 LYS H H 1 7.60 0.02 . 1 . . . . . . . . 5332 1 929 . 1 1 150 150 LYS CA C 13 60.1 0.1 . 1 . . . . . . . . 5332 1 930 . 1 1 150 150 LYS CB C 13 33.4 0.1 . 1 . . . . . . . . 5332 1 931 . 1 1 150 150 LYS N N 15 118.6 0.1 . 1 . . . . . . . . 5332 1 932 . 1 1 151 151 ARG HA H 1 3.90 0.02 . 1 . . . . . . . . 5332 1 933 . 1 1 151 151 ARG HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5332 1 934 . 1 1 151 151 ARG C C 13 177.5 0.1 . 1 . . . . . . . . 5332 1 935 . 1 1 151 151 ARG CA C 13 60.5 0.1 . 1 . . . . . . . . 5332 1 936 . 1 1 151 151 ARG CB C 13 31.2 0.1 . 1 . . . . . . . . 5332 1 937 . 1 1 152 152 ALA H H 1 8.83 0.02 . 1 . . . . . . . . 5332 1 938 . 1 1 152 152 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 5332 1 939 . 1 1 152 152 ALA HB1 H 1 1.40 0.02 . 1 . . . . . . . . 5332 1 940 . 1 1 152 152 ALA HB2 H 1 1.40 0.02 . 1 . . . . . . . . 5332 1 941 . 1 1 152 152 ALA HB3 H 1 1.40 0.02 . 1 . . . . . . . . 5332 1 942 . 1 1 152 152 ALA C C 13 178.8 0.1 . 1 . . . . . . . . 5332 1 943 . 1 1 152 152 ALA CA C 13 55.6 0.1 . 1 . . . . . . . . 5332 1 944 . 1 1 152 152 ALA CB C 13 18.5 0.1 . 1 . . . . . . . . 5332 1 945 . 1 1 152 152 ALA N N 15 119.8 0.1 . 1 . . . . . . . . 5332 1 946 . 1 1 153 153 GLU H H 1 8.02 0.02 . 1 . . . . . . . . 5332 1 947 . 1 1 153 153 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 5332 1 948 . 1 1 153 153 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5332 1 949 . 1 1 153 153 GLU C C 13 179.5 0.1 . 1 . . . . . . . . 5332 1 950 . 1 1 153 153 GLU CA C 13 59.3 0.1 . 1 . . . . . . . . 5332 1 951 . 1 1 153 153 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 5332 1 952 . 1 1 153 153 GLU N N 15 117.3 0.1 . 1 . . . . . . . . 5332 1 953 . 1 1 154 154 LYS H H 1 8.04 0.02 . 1 . . . . . . . . 5332 1 954 . 1 1 154 154 LYS HA H 1 3.92 0.02 . 1 . . . . . . . . 5332 1 955 . 1 1 154 154 LYS HB2 H 1 2.51 0.02 . 2 . . . . . . . . 5332 1 956 . 1 1 154 154 LYS C C 13 178.9 0.1 . 1 . . . . . . . . 5332 1 957 . 1 1 154 154 LYS CA C 13 60.0 0.1 . 1 . . . . . . . . 5332 1 958 . 1 1 154 154 LYS CB C 13 33.2 0.1 . 1 . . . . . . . . 5332 1 959 . 1 1 154 154 LYS N N 15 121.3 0.1 . 1 . . . . . . . . 5332 1 960 . 1 1 155 155 ILE H H 1 8.15 0.02 . 1 . . . . . . . . 5332 1 961 . 1 1 155 155 ILE HA H 1 3.48 0.02 . 1 . . . . . . . . 5332 1 962 . 1 1 155 155 ILE HB H 1 2.08 0.02 . 2 . . . . . . . . 5332 1 963 . 1 1 155 155 ILE C C 13 176.7 0.1 . 1 . . . . . . . . 5332 1 964 . 1 1 155 155 ILE CA C 13 66.6 0.1 . 1 . . . . . . . . 5332 1 965 . 1 1 155 155 ILE CB C 13 39.4 0.1 . 1 . . . . . . . . 5332 1 966 . 1 1 155 155 ILE N N 15 118.0 0.1 . 1 . . . . . . . . 5332 1 967 . 1 1 156 156 TRP H H 1 8.63 0.02 . 1 . . . . . . . . 5332 1 968 . 1 1 156 156 TRP HA H 1 4.51 0.02 . 1 . . . . . . . . 5332 1 969 . 1 1 156 156 TRP HB2 H 1 3.43 0.02 . 2 . . . . . . . . 5332 1 970 . 1 1 156 156 TRP C C 13 179.5 0.1 . 1 . . . . . . . . 5332 1 971 . 1 1 156 156 TRP CA C 13 60.6 0.1 . 1 . . . . . . . . 5332 1 972 . 1 1 156 156 TRP CB C 13 30.2 0.1 . 1 . . . . . . . . 5332 1 973 . 1 1 156 156 TRP N N 15 119.7 0.1 . 1 . . . . . . . . 5332 1 974 . 1 1 157 157 GLY H H 1 8.60 0.02 . 1 . . . . . . . . 5332 1 975 . 1 1 157 157 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . 5332 1 976 . 1 1 157 157 GLY CA C 13 46.87 0.1 . 1 . . . . . . . . 5332 1 977 . 1 1 157 157 GLY N N 15 104.7 0.1 . 1 . . . . . . . . 5332 1 978 . 1 1 158 158 PHE HA H 1 4.53 0.1 . 1 . . . . . . . . 5332 1 979 . 1 1 158 158 PHE C C 13 178.5 0.1 . 1 . . . . . . . . 5332 1 980 . 1 1 158 158 PHE CA C 13 59.4 0.1 . 1 . . . . . . . . 5332 1 981 . 1 1 158 158 PHE CB C 13 38.4 0.1 . 1 . . . . . . . . 5332 1 982 . 1 1 159 159 PHE H H 1 7.63 0.02 . 1 . . . . . . . . 5332 1 983 . 1 1 159 159 PHE HA H 1 4.39 0.02 . 1 . . . . . . . . 5332 1 984 . 1 1 159 159 PHE HB2 H 1 2.51 0.02 . 2 . . . . . . . . 5332 1 985 . 1 1 159 159 PHE HB3 H 1 2.85 0.02 . 2 . . . . . . . . 5332 1 986 . 1 1 159 159 PHE C C 13 167.7 0.1 . 1 . . . . . . . . 5332 1 987 . 1 1 159 159 PHE CA C 13 60.5 0.1 . 1 . . . . . . . . 5332 1 988 . 1 1 159 159 PHE CB C 13 40.0 0.1 . 1 . . . . . . . . 5332 1 989 . 1 1 159 159 PHE N N 15 116.6 0.1 . 1 . . . . . . . . 5332 1 990 . 1 1 160 160 GLY H H 1 7.79 0.02 . 1 . . . . . . . . 5332 1 991 . 1 1 160 160 GLY HA2 H 1 3.88 0.02 . 2 . . . . . . . . 5332 1 992 . 1 1 160 160 GLY C C 13 174.6 0.1 . 1 . . . . . . . . 5332 1 993 . 1 1 160 160 GLY CA C 13 46.7 0.1 . 1 . . . . . . . . 5332 1 994 . 1 1 160 160 GLY N N 15 108.1 0.1 . 1 . . . . . . . . 5332 1 995 . 1 1 161 161 LYS H H 1 6.93 0.02 . 1 . . . . . . . . 5332 1 996 . 1 1 161 161 LYS HA H 1 4.48 0.02 . 1 . . . . . . . . 5332 1 997 . 1 1 161 161 LYS HB2 H 1 1.58 0.02 . 2 . . . . . . . . 5332 1 998 . 1 1 161 161 LYS C C 13 176.4 0.1 . 1 . . . . . . . . 5332 1 999 . 1 1 161 161 LYS CA C 13 53.36 0.1 . 1 . . . . . . . . 5332 1 1000 . 1 1 161 161 LYS CB C 13 33.7 0.1 . 1 . . . . . . . . 5332 1 1001 . 1 1 161 161 LYS N N 15 117.5 0.1 . 1 . . . . . . . . 5332 1 1002 . 1 1 162 162 LYS H H 1 9.18 0.02 . 1 . . . . . . . . 5332 1 1003 . 1 1 162 162 LYS HA H 1 4.66 0.02 . 1 . . . . . . . . 5332 1 1004 . 1 1 162 162 LYS HB2 H 1 2.12 0.02 . 2 . . . . . . . . 5332 1 1005 . 1 1 162 162 LYS C C 13 179.8 0.1 . 1 . . . . . . . . 5332 1 1006 . 1 1 162 162 LYS CA C 13 55.6 0.1 . 1 . . . . . . . . 5332 1 1007 . 1 1 162 162 LYS CB C 13 33.4 0.1 . 1 . . . . . . . . 5332 1 1008 . 1 1 162 162 LYS N N 15 120.6 0.1 . 1 . . . . . . . . 5332 1 1009 . 1 1 163 163 ASP H H 1 8.87 0.02 . 1 . . . . . . . . 5332 1 1010 . 1 1 163 163 ASP HA H 1 4.44 0.02 . 1 . . . . . . . . 5332 1 1011 . 1 1 163 163 ASP HB2 H 1 2.65 0.02 . 2 . . . . . . . . 5332 1 1012 . 1 1 163 163 ASP C C 13 176.9 0.1 . 1 . . . . . . . . 5332 1 1013 . 1 1 163 163 ASP CA C 13 58.6 0.1 . 1 . . . . . . . . 5332 1 1014 . 1 1 163 163 ASP CB C 13 40.7 0.1 . 1 . . . . . . . . 5332 1 1015 . 1 1 163 163 ASP N N 15 122.0 0.1 . 1 . . . . . . . . 5332 1 1016 . 1 1 164 164 ASP H H 1 8.49 0.02 . 1 . . . . . . . . 5332 1 1017 . 1 1 164 164 ASP HA H 1 4.81 0.02 . 1 . . . . . . . . 5332 1 1018 . 1 1 164 164 ASP HB2 H 1 2.84 0.02 . 2 . . . . . . . . 5332 1 1019 . 1 1 164 164 ASP C C 13 176.0 0.1 . 1 . . . . . . . . 5332 1 1020 . 1 1 164 164 ASP CA C 13 53.4 0.1 . 1 . . . . . . . . 5332 1 1021 . 1 1 164 164 ASP CB C 13 40.5 0.1 . 1 . . . . . . . . 5332 1 1022 . 1 1 164 164 ASP N N 15 116.0 0.1 . 1 . . . . . . . . 5332 1 1023 . 1 1 165 165 ASP H H 1 7.60 0.02 . 1 . . . . . . . . 5332 1 1024 . 1 1 165 165 ASP HA H 1 4.93 0.02 . 1 . . . . . . . . 5332 1 1025 . 1 1 165 165 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 5332 1 1026 . 1 1 165 165 ASP C C 13 175.1 0.1 . 1 . . . . . . . . 5332 1 1027 . 1 1 165 165 ASP CA C 13 54.1 0.1 . 1 . . . . . . . . 5332 1 1028 . 1 1 165 165 ASP CB C 13 44.2 0.1 . 1 . . . . . . . . 5332 1 1029 . 1 1 165 165 ASP N N 15 120.4 0.1 . 1 . . . . . . . . 5332 1 1030 . 1 1 166 166 LYS H H 1 8.83 0.02 . 1 . . . . . . . . 5332 1 1031 . 1 1 166 166 LYS HA H 1 5.20 0.02 . 1 . . . . . . . . 5332 1 1032 . 1 1 166 166 LYS HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5332 1 1033 . 1 1 166 166 LYS C C 13 175.2 0.1 . 1 . . . . . . . . 5332 1 1034 . 1 1 166 166 LYS CA C 13 55.0 0.1 . 1 . . . . . . . . 5332 1 1035 . 1 1 166 166 LYS CB C 13 35.2 0.1 . 1 . . . . . . . . 5332 1 1036 . 1 1 166 166 LYS N N 15 117.6 0.02 . 1 . . . . . . . . 5332 1 1037 . 1 1 167 167 LEU H H 1 9.20 0.02 . 1 . . . . . . . . 5332 1 1038 . 1 1 167 167 LEU HA H 1 4.84 0.02 . 1 . . . . . . . . 5332 1 1039 . 1 1 167 167 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 5332 1 1040 . 1 1 167 167 LEU C C 13 177.2 0.1 . 1 . . . . . . . . 5332 1 1041 . 1 1 167 167 LEU CA C 13 53.8 0.1 . 1 . . . . . . . . 5332 1 1042 . 1 1 167 167 LEU CB C 13 45.6 0.1 . 1 . . . . . . . . 5332 1 1043 . 1 1 167 167 LEU N N 15 123.1 0.1 . 1 . . . . . . . . 5332 1 1044 . 1 1 168 168 THR H H 1 8.79 0.02 . 1 . . . . . . . . 5332 1 1045 . 1 1 168 168 THR HA H 1 4.65 0.02 . 1 . . . . . . . . 5332 1 1046 . 1 1 168 168 THR C C 13 174.4 0.1 . 1 . . . . . . . . 5332 1 1047 . 1 1 168 168 THR CA C 13 61.0 0.1 . 1 . . . . . . . . 5332 1 1048 . 1 1 168 168 THR CB C 13 71.5 0.1 . 1 . . . . . . . . 5332 1 1049 . 1 1 168 168 THR N N 15 115.8 0.1 . 1 . . . . . . . . 5332 1 1050 . 1 1 169 169 GLU H H 1 8.75 0.02 . 1 . . . . . . . . 5332 1 1051 . 1 1 169 169 GLU HA H 1 3.18 0.02 . 1 . . . . . . . . 5332 1 1052 . 1 1 169 169 GLU HB2 H 1 1.49 0.02 . 1 . . . . . . . . 5332 1 1053 . 1 1 169 169 GLU C C 13 177.7 0.1 . 1 . . . . . . . . 5332 1 1054 . 1 1 169 169 GLU CA C 13 60.4 0.1 . 1 . . . . . . . . 5332 1 1055 . 1 1 169 169 GLU CB C 13 28.9 0.1 . 1 . . . . . . . . 5332 1 1056 . 1 1 169 169 GLU N N 15 122.9 0.1 . 1 . . . . . . . . 5332 1 1057 . 1 1 170 170 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 5332 1 1058 . 1 1 170 170 LYS HA H 1 3.91 0.02 . 1 . . . . . . . . 5332 1 1059 . 1 1 170 170 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5332 1 1060 . 1 1 170 170 LYS C C 13 178.6 0.1 . 1 . . . . . . . . 5332 1 1061 . 1 1 170 170 LYS CA C 13 59.9 0.1 . 1 . . . . . . . . 5332 1 1062 . 1 1 170 170 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5332 1 1063 . 1 1 170 170 LYS N N 15 118.1 0.1 . 1 . . . . . . . . 5332 1 1064 . 1 1 171 171 GLU H H 1 7.36 0.02 . 1 . . . . . . . . 5332 1 1065 . 1 1 171 171 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 5332 1 1066 . 1 1 171 171 GLU HB2 H 1 2.24 0.02 . 2 . . . . . . . . 5332 1 1067 . 1 1 171 171 GLU C C 13 180.3 0.1 . 1 . . . . . . . . 5332 1 1068 . 1 1 171 171 GLU CA C 13 58.9 0.1 . 1 . . . . . . . . 5332 1 1069 . 1 1 171 171 GLU CB C 13 31.7 0.1 . 1 . . . . . . . . 5332 1 1070 . 1 1 171 171 GLU N N 15 116.5 0.1 . 1 . . . . . . . . 5332 1 1071 . 1 1 172 172 PHE H H 1 8.79 0.02 . 1 . . . . . . . . 5332 1 1072 . 1 1 172 172 PHE HA H 1 4.24 0.02 . 1 . . . . . . . . 5332 1 1073 . 1 1 172 172 PHE HB2 H 1 3.41 0.02 . 2 . . . . . . . . 5332 1 1074 . 1 1 172 172 PHE C C 13 177.6 0.1 . 1 . . . . . . . . 5332 1 1075 . 1 1 172 172 PHE CA C 13 61.1 0.1 . 1 . . . . . . . . 5332 1 1076 . 1 1 172 172 PHE CB C 13 40.0 0.1 . 1 . . . . . . . . 5332 1 1077 . 1 1 172 172 PHE N N 15 121.6 0.1 . 1 . . . . . . . . 5332 1 1078 . 1 1 173 173 ILE H H 1 8.92 0.02 . 1 . . . . . . . . 5332 1 1079 . 1 1 173 173 ILE HA H 1 3.54 0.02 . 1 . . . . . . . . 5332 1 1080 . 1 1 173 173 ILE HB H 1 2.01 0.02 . 1 . . . . . . . . 5332 1 1081 . 1 1 173 173 ILE C C 13 177.5 0.1 . 1 . . . . . . . . 5332 1 1082 . 1 1 173 173 ILE CA C 13 65.86 0.1 . 1 . . . . . . . . 5332 1 1083 . 1 1 173 173 ILE CB C 13 37.7 0.1 . 1 . . . . . . . . 5332 1 1084 . 1 1 173 173 ILE N N 15 121.5 0.1 . 1 . . . . . . . . 5332 1 1085 . 1 1 174 174 GLU H H 1 8.53 0.02 . 1 . . . . . . . . 5332 1 1086 . 1 1 174 174 GLU HA H 1 3.89 0.02 . 1 . . . . . . . . 5332 1 1087 . 1 1 174 174 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5332 1 1088 . 1 1 174 174 GLU C C 13 180.6 0.1 . 1 . . . . . . . . 5332 1 1089 . 1 1 174 174 GLU CA C 13 59.9 0.1 . 1 . . . . . . . . 5332 1 1090 . 1 1 174 174 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5332 1 1091 . 1 1 174 174 GLU N N 15 116.9 0.1 . 1 . . . . . . . . 5332 1 1092 . 1 1 175 175 GLY H H 1 8.43 0.02 . 1 . . . . . . . . 5332 1 1093 . 1 1 175 175 GLY HA2 H 1 3.83 0.02 . 2 . . . . . . . . 5332 1 1094 . 1 1 175 175 GLY HA3 H 1 3.99 0.02 . 2 . . . . . . . . 5332 1 1095 . 1 1 175 175 GLY C C 13 175.4 0.1 . 1 . . . . . . . . 5332 1 1096 . 1 1 175 175 GLY CA C 13 47.2 0.1 . 1 . . . . . . . . 5332 1 1097 . 1 1 175 175 GLY N N 15 106.1 0.1 . 1 . . . . . . . . 5332 1 1098 . 1 1 176 176 THR H H 1 7.74 0.02 . 1 . . . . . . . . 5332 1 1099 . 1 1 176 176 THR HA H 1 3.70 0.02 . 1 . . . . . . . . 5332 1 1100 . 1 1 176 176 THR C C 13 174.6 0.1 . 1 . . . . . . . . 5332 1 1101 . 1 1 176 176 THR CA C 13 66.2 0.1 . 1 . . . . . . . . 5332 1 1102 . 1 1 176 176 THR CB C 13 67.2 0.1 . 1 . . . . . . . . 5332 1 1103 . 1 1 176 176 THR N N 15 117.8 0.1 . 1 . . . . . . . . 5332 1 1104 . 1 1 177 177 LEU H H 1 7.74 0.02 . 1 . . . . . . . . 5332 1 1105 . 1 1 177 177 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 5332 1 1106 . 1 1 177 177 LEU HB2 H 1 1.39 0.02 . 2 . . . . . . . . 5332 1 1107 . 1 1 177 177 LEU C C 13 178.9 0.1 . 1 . . . . . . . . 5332 1 1108 . 1 1 177 177 LEU CA C 13 57.1 0.1 . 1 . . . . . . . . 5332 1 1109 . 1 1 177 177 LEU CB C 13 42.1 0.1 . 1 . . . . . . . . 5332 1 1110 . 1 1 177 177 LEU N N 15 118.4 0.1 . 1 . . . . . . . . 5332 1 1111 . 1 1 178 178 ALA H H 1 7.36 0.02 . 1 . . . . . . . . 5332 1 1112 . 1 1 178 178 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 5332 1 1113 . 1 1 178 178 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 5332 1 1114 . 1 1 178 178 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 5332 1 1115 . 1 1 178 178 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 5332 1 1116 . 1 1 178 178 ALA C C 13 177.5 0.1 . 1 . . . . . . . . 5332 1 1117 . 1 1 178 178 ALA CA C 13 53.1 0.1 . 1 . . . . . . . . 5332 1 1118 . 1 1 178 178 ALA CB C 13 19.6 0.1 . 1 . . . . . . . . 5332 1 1119 . 1 1 178 178 ALA N N 15 118.5 0.1 . 1 . . . . . . . . 5332 1 1120 . 1 1 179 179 ASN H H 1 7.33 0.02 . 1 . . . . . . . . 5332 1 1121 . 1 1 179 179 ASN HA H 1 4.80 0.02 . 1 . . . . . . . . 5332 1 1122 . 1 1 179 179 ASN HB2 H 1 2.68 0.02 . 2 . . . . . . . . 5332 1 1123 . 1 1 179 179 ASN C C 13 174.4 0.1 . 1 . . . . . . . . 5332 1 1124 . 1 1 179 179 ASN CA C 13 51.8 0.1 . 1 . . . . . . . . 5332 1 1125 . 1 1 179 179 ASN CB C 13 38.9 0.1 . 1 . . . . . . . . 5332 1 1126 . 1 1 179 179 ASN N N 15 116.0 0.1 . 1 . . . . . . . . 5332 1 1127 . 1 1 180 180 LYS H H 1 8.68 0.02 . 1 . . . . . . . . 5332 1 1128 . 1 1 180 180 LYS HA H 1 4.11 0.02 . 1 . . . . . . . . 5332 1 1129 . 1 1 180 180 LYS HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5332 1 1130 . 1 1 180 180 LYS C C 13 178.5 0.1 . 1 . . . . . . . . 5332 1 1131 . 1 1 180 180 LYS CA C 13 58.8 0.1 . 1 . . . . . . . . 5332 1 1132 . 1 1 180 180 LYS CB C 13 31.9 0.1 . 1 . . . . . . . . 5332 1 1133 . 1 1 180 180 LYS N N 15 124.3 0.1 . 1 . . . . . . . . 5332 1 1134 . 1 1 181 181 GLU H H 1 8.14 0.02 . 1 . . . . . . . . 5332 1 1135 . 1 1 181 181 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 5332 1 1136 . 1 1 181 181 GLU HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5332 1 1137 . 1 1 181 181 GLU C C 13 178.7 0.1 . 1 . . . . . . . . 5332 1 1138 . 1 1 181 181 GLU CA C 13 58.2 0.1 . 1 . . . . . . . . 5332 1 1139 . 1 1 181 181 GLU CB C 13 30.0 0.1 . 1 . . . . . . . . 5332 1 1140 . 1 1 181 181 GLU N N 15 119.7 0.1 . 1 . . . . . . . . 5332 1 1141 . 1 1 182 182 ILE H H 1 7.18 0.02 . 1 . . . . . . . . 5332 1 1142 . 1 1 182 182 ILE HA H 1 3.28 0.02 . 1 . . . . . . . . 5332 1 1143 . 1 1 182 182 ILE HB H 1 1.67 0.02 . 1 . . . . . . . . 5332 1 1144 . 1 1 182 182 ILE C C 13 177.4 0.1 . 1 . . . . . . . . 5332 1 1145 . 1 1 182 182 ILE CA C 13 66.2 0.1 . 1 . . . . . . . . 5332 1 1146 . 1 1 182 182 ILE CB C 13 37.4 0.1 . 1 . . . . . . . . 5332 1 1147 . 1 1 182 182 ILE N N 15 117.4 0.1 . 1 . . . . . . . . 5332 1 1148 . 1 1 183 183 LEU H H 1 6.98 0.02 . 1 . . . . . . . . 5332 1 1149 . 1 1 183 183 LEU HA H 1 3.81 0.02 . 1 . . . . . . . . 5332 1 1150 . 1 1 183 183 LEU N N 15 118.8 0.1 . 1 . . . . . . . . 5332 1 1151 . 1 1 184 184 ARG C C 13 178.7 0.1 . 1 . . . . . . . . 5332 1 1152 . 1 1 184 184 ARG CA C 13 59.3 0.1 . 1 . . . . . . . . 5332 1 1153 . 1 1 184 184 ARG CB C 13 29.8 0.1 . 1 . . . . . . . . 5332 1 1154 . 1 1 185 185 LEU H H 1 7.68 0.02 . 1 . . . . . . . . 5332 1 1155 . 1 1 185 185 LEU HA H 1 4.16 0.02 . 1 . . . . . . . . 5332 1 1156 . 1 1 185 185 LEU HB2 H 1 1.47 0.02 . 2 . . . . . . . . 5332 1 1157 . 1 1 185 185 LEU C C 13 178.5 0.1 . 1 . . . . . . . . 5332 1 1158 . 1 1 185 185 LEU CA C 13 56.5 0.1 . 1 . . . . . . . . 5332 1 1159 . 1 1 185 185 LEU CB C 13 43.4 0.1 . 1 . . . . . . . . 5332 1 1160 . 1 1 185 185 LEU N N 15 117.0 0.1 . 1 . . . . . . . . 5332 1 1161 . 1 1 186 186 ILE H H 1 8.10 0.02 . 1 . . . . . . . . 5332 1 1162 . 1 1 186 186 ILE HA H 1 3.50 0.02 . 1 . . . . . . . . 5332 1 1163 . 1 1 186 186 ILE HB H 1 2.20 0.02 . 1 . . . . . . . . 5332 1 1164 . 1 1 186 186 ILE CA C 13 61.4 0.1 . 1 . . . . . . . . 5332 1 1165 . 1 1 186 186 ILE CB C 13 39.3 0.1 . 1 . . . . . . . . 5332 1 1166 . 1 1 186 186 ILE N N 15 112.7 0.1 . 1 . . . . . . . . 5332 1 1167 . 1 1 192 192 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 5332 1 1168 . 1 1 192 192 LYS HB2 H 1 1.79 0.02 . 2 . . . . . . . . 5332 1 1169 . 1 1 192 192 LYS C C 13 176.9 0.1 . 1 . . . . . . . . 5332 1 1170 . 1 1 192 192 LYS CA C 13 56.6 0.1 . 1 . . . . . . . . 5332 1 1171 . 1 1 192 192 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5332 1 1172 . 1 1 193 193 VAL H H 1 7.98 0.02 . 1 . . . . . . . . 5332 1 1173 . 1 1 193 193 VAL HA H 1 3.96 0.02 . 1 . . . . . . . . 5332 1 1174 . 1 1 193 193 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 5332 1 1175 . 1 1 193 193 VAL CA C 13 63.1 0.1 . 1 . . . . . . . . 5332 1 1176 . 1 1 193 193 VAL CB C 13 32.7 0.1 . 1 . . . . . . . . 5332 1 1177 . 1 1 193 193 VAL N N 15 121.1 0.1 . 1 . . . . . . . . 5332 1 1178 . 1 1 195 195 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 5332 1 1179 . 1 1 195 195 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5332 1 1180 . 1 1 195 195 GLU C C 13 177.0 0.1 . 1 . . . . . . . . 5332 1 1181 . 1 1 195 195 GLU CA C 13 57.4 0.1 . 1 . . . . . . . . 5332 1 1182 . 1 1 195 195 GLU CB C 13 29.9 0.1 . 1 . . . . . . . . 5332 1 1183 . 1 1 196 196 LYS H H 1 8.00 0.02 . 1 . . . . . . . . 5332 1 1184 . 1 1 196 196 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 5332 1 1185 . 1 1 196 196 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 5332 1 1186 . 1 1 196 196 LYS C C 13 176.8 0.1 . 1 . . . . . . . . 5332 1 1187 . 1 1 196 196 LYS CA C 13 56.6 0.1 . 1 . . . . . . . . 5332 1 1188 . 1 1 196 196 LYS CB C 13 32.8 0.1 . 1 . . . . . . . . 5332 1 1189 . 1 1 196 196 LYS N N 15 121.1 0.1 . 1 . . . . . . . . 5332 1 1190 . 1 1 197 197 LEU H H 1 8.09 0.02 . 1 . . . . . . . . 5332 1 1191 . 1 1 197 197 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 5332 1 1192 . 1 1 197 197 LEU HB2 H 1 1.61 0.02 . 2 . . . . . . . . 5332 1 1193 . 1 1 197 197 LEU HB3 H 1 1.65 0.02 . 2 . . . . . . . . 5332 1 1194 . 1 1 197 197 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5332 1 1195 . 1 1 197 197 LEU CA C 13 55.6 0.1 . 1 . . . . . . . . 5332 1 1196 . 1 1 197 197 LEU CB C 13 42.3 0.1 . 1 . . . . . . . . 5332 1 1197 . 1 1 197 197 LEU N N 15 122.6 0.1 . 1 . . . . . . . . 5332 1 1198 . 1 1 198 198 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 5332 1 1199 . 1 1 198 198 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 5332 1 1200 . 1 1 198 198 LYS HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5332 1 1201 . 1 1 198 198 LYS HB3 H 1 2.01 0.02 . 2 . . . . . . . . 5332 1 1202 . 1 1 198 198 LYS C C 13 176.5 0.1 . 1 . . . . . . . . 5332 1 1203 . 1 1 198 198 LYS CA C 13 56.6 0.1 . 1 . . . . . . . . 5332 1 1204 . 1 1 198 198 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5332 1 1205 . 1 1 198 198 LYS N N 15 121.5 0.1 . 1 . . . . . . . . 5332 1 1206 . 1 1 199 199 GLU H H 1 8.18 0.02 . 1 . . . . . . . . 5332 1 1207 . 1 1 199 199 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 5332 1 1208 . 1 1 199 199 GLU HB2 H 1 2.26 0.02 . 2 . . . . . . . . 5332 1 1209 . 1 1 199 199 GLU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 5332 1 1210 . 1 1 199 199 GLU C C 13 175.9 0.1 . 1 . . . . . . . . 5332 1 1211 . 1 1 199 199 GLU CA C 13 56.5 0.1 . 1 . . . . . . . . 5332 1 1212 . 1 1 199 199 GLU CB C 13 30.2 0.1 . 1 . . . . . . . . 5332 1 1213 . 1 1 199 199 GLU N N 15 121.7 0.1 . 1 . . . . . . . . 5332 1 1214 . 1 1 200 200 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 5332 1 1215 . 1 1 200 200 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 5332 1 1216 . 1 1 200 200 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 5332 1 1217 . 1 1 200 200 LYS CA C 13 56.2 0.1 . 1 . . . . . . . . 5332 1 1218 . 1 1 200 200 LYS CB C 13 33.0 0.1 . 1 . . . . . . . . 5332 1 1219 . 1 1 200 200 LYS N N 15 122.3 0.1 . 1 . . . . . . . . 5332 1 1220 . 1 1 201 201 LYS H H 1 8.20 0.02 . 1 . . . . . . . . 5332 1 1221 . 1 1 201 201 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 5332 1 1222 . 1 1 201 201 LYS HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5332 1 1223 . 1 1 201 201 LYS HB3 H 1 1.75 0.02 . 2 . . . . . . . . 5332 1 1224 . 1 1 201 201 LYS C C 13 175.3 0.1 . 1 . . . . . . . . 5332 1 1225 . 1 1 201 201 LYS CA C 13 56.2 0.1 . 1 . . . . . . . . 5332 1 1226 . 1 1 201 201 LYS CB C 13 33.0 0.1 . 1 . . . . . . . . 5332 1 1227 . 1 1 201 201 LYS N N 15 123.8 0.1 . 1 . . . . . . . . 5332 1 1228 . 1 1 202 202 LEU H H 1 7.85 0.02 . 1 . . . . . . . . 5332 1 1229 . 1 1 202 202 LEU HA H 1 4.21 0.02 . 1 . . . . . . . . 5332 1 1230 . 1 1 202 202 LEU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 5332 1 1231 . 1 1 202 202 LEU CA C 13 56.6 0.1 . 1 . . . . . . . . 5332 1 1232 . 1 1 202 202 LEU CB C 13 43.2 0.1 . 1 . . . . . . . . 5332 1 1233 . 1 1 202 202 LEU N N 15 130.0 0.1 . 1 . . . . . . . . 5332 1 stop_ save_