data_15303 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15303 _Entry.Title ; 1H, 15N, 13C resonance assignments for bb' domains of human protein disulfide isomerase (PDI) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-13 _Entry.Accession_date 2007-06-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alexey Denisov . . . 15303 2 Pekka Maattanen . . . 15303 3 David Thomas . . . 15303 4 Kalle Gehring . . . 15303 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15303 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 685 15303 '15N chemical shifts' 223 15303 '1H chemical shifts' 1161 15303 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 3 . . 2009-08-31 2007-06-13 update author 'correct entry citation' 15303 2 . . 2008-04-22 2007-06-13 update author 'complete entry citation' 15303 1 . . 2007-08-08 2007-06-13 original author 'original release' 15303 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4156 'b domain of human PDI' 15303 PDB 1BJX 'b domain of human PDI' 15303 PDB 2B5E 'yeast PDI' 15303 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15303 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636846 _Citation.Full_citation . _Citation.Title "1H, 13C and 15N resonance assignments of the bb' domains of human protein disulfide isomerase" _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 1 _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 129 _Citation.Page_last 130 _Citation.Year 2007 _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 'Alexey Yu' Denisov . . . 15303 1 2 Pekka Maattanen . . . 15303 1 3 Tara Sprules . . . 15303 1 4 David Thomas . Y. . 15303 1 5 Kalle Gehring . . . 15303 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'disulfide bonds' 15303 1 'endoplasmic reticulum' 15303 1 NMR 15303 1 PDI 15303 1 'protein folding' 15303 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15303 _Assembly.ID 1 _Assembly.Name 'bb-PDI monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'bb-PDI monomer, major conformer' 1 $bb-PDI A . yes native no no . . . 15303 1 2 'bb-PDI monomer, minor conformer' 1 $bb-PDI A . yes native no no . . . 15303 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_bb-PDI _Entity.Sf_category entity _Entity.Sf_framecode bb-PDI _Entity.Entry_ID 15303 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name bb-PDI _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 ; GPLGSPAATTLPDGAAAESL VESSEVAVIGFFKDVESDSA KQFLQAAEAIDDIPFGITSN SDVFSKYQLDKDGVVLFKKF DEGRNNFEGEVTKENLLDFI KHNQLPLVIEFTEQTAPKIF GGEIKTHILLFLPKSVSDYD GKLSNFKTAAESFKGKILFI FIDSDHTDNQRILEFFGLKK EECPAVRLITLEEEMTKYKP ESEELTAERITEFCHRFLEG KIKPHLMS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 represent a non-native tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 228 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25500 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 15974 . "b-b'-x" . . . . . 97.81 236 100.00 100.00 3.68e-157 . . . . 15303 1 2 no BMRB 15998 . "b'-x" . . . . . 56.14 140 100.00 100.00 3.79e-85 . . . . 15303 1 3 no PDB 2K18 . "Solution Structure Of Bb' Domains Of Human Protein Disulfide Isomerase" . . . . . 100.00 228 100.00 100.00 2.25e-161 . . . . 15303 1 4 no PDB 3BJ5 . "Alternative Conformations Of The X Region Of Human Protein Disulphide- Isomerase Modulate Exposure Of The Substrate Binding B' " . . . . . 56.58 147 98.45 99.22 1.92e-84 . . . . 15303 1 5 no PDB 3UEM . "Crystal Structure Of Human Pdi Bb'a' Domains" . . . . . 100.00 361 98.68 98.68 3.66e-154 . . . . 15303 1 6 no PDB 4EKZ . "Crystal Structure Of Reduced Hpdi (abb'xa')" . . . . . 97.81 482 100.00 100.00 1.01e-153 . . . . 15303 1 7 no PDB 4EL1 . "Crystal Structure Of Oxidized Hpdi (abb'xa')" . . . . . 97.81 482 100.00 100.00 1.01e-153 . . . . 15303 1 8 no PDB 4JU5 . "Crystal Structure Of The Dimeric Form Of The Bb' Domains Of Human Protein Disulfide Isomerase" . . . . . 100.00 238 100.00 100.00 2.08e-161 . . . . 15303 1 9 no DBJ BAE79726 . "protein disulfide isomerase [Macaca fuscata]" . . . . . 97.81 510 99.10 100.00 2.35e-152 . . . . 15303 1 10 no DBJ BAE87231 . "unnamed protein product [Macaca fascicularis]" . . . . . 97.81 510 97.76 99.55 3.24e-150 . . . . 15303 1 11 no DBJ BAE88032 . "unnamed protein product [Macaca fascicularis]" . . . . . 84.21 336 97.40 98.96 3.10e-127 . . . . 15303 1 12 no DBJ BAG37999 . "unnamed protein product [Homo sapiens]" . . . . . 97.81 508 100.00 100.00 7.63e-154 . . . . 15303 1 13 no DBJ BAG60277 . "unnamed protein product [Homo sapiens]" . . . . . 97.81 492 99.55 99.55 3.14e-153 . . . . 15303 1 14 no EMBL CAA28775 . "unnamed protein product [Homo sapiens]" . . . . . 97.81 508 100.00 100.00 1.72e-153 . . . . 15303 1 15 no EMBL CAH93050 . "hypothetical protein [Pongo abelii]" . . . . . 97.81 508 99.10 99.55 1.55e-152 . . . . 15303 1 16 no GB AAA61169 . "thyroid hormone binding protein precursor [Homo sapiens]" . . . . . 97.81 508 99.55 99.55 1.24e-152 . . . . 15303 1 17 no GB AAC13652 . "prolyl 4-hydroxylase beta-subunit [Homo sapiens]" . . . . . 97.81 508 100.00 100.00 7.63e-154 . . . . 15303 1 18 no GB AAH10859 . "Prolyl 4-hydroxylase, beta polypeptide [Homo sapiens]" . . . . . 97.81 508 100.00 100.00 7.63e-154 . . . . 15303 1 19 no GB AAH29617 . "Prolyl 4-hydroxylase, beta polypeptide [Homo sapiens]" . . . . . 97.81 508 100.00 100.00 7.63e-154 . . . . 15303 1 20 no GB AAH71892 . "Prolyl 4-hydroxylase, beta polypeptide [Homo sapiens]" . . . . . 97.81 508 100.00 100.00 7.63e-154 . . . . 15303 1 21 no REF NP_000909 . "protein disulfide-isomerase precursor [Homo sapiens]" . . . . . 97.81 508 100.00 100.00 7.63e-154 . . . . 15303 1 22 no REF NP_001126805 . "protein disulfide-isomerase precursor [Pongo abelii]" . . . . . 97.81 508 99.10 99.55 1.55e-152 . . . . 15303 1 23 no REF NP_001233358 . "protein disulfide-isomerase precursor [Pan troglodytes]" . . . . . 97.81 508 99.55 99.55 6.37e-153 . . . . 15303 1 24 no REF XP_002764185 . "PREDICTED: protein disulfide-isomerase isoform X2 [Callithrix jacchus]" . . . . . 97.81 510 97.31 99.10 3.31e-150 . . . . 15303 1 25 no REF XP_003282223 . "PREDICTED: protein disulfide-isomerase isoform X1 [Nomascus leucogenys]" . . . . . 97.81 505 97.76 98.21 5.63e-148 . . . . 15303 1 26 no SP P07237 . "RecName: Full=Protein disulfide-isomerase; Short=PDI; AltName: Full=Cellular thyroid hormone-binding protein; AltName: Full=Pro" . . . . . 97.81 508 100.00 100.00 7.63e-154 . . . . 15303 1 27 no SP Q2HWU2 . "RecName: Full=Protein disulfide-isomerase; Short=PDI; AltName: Full=Prolyl 4-hydroxylase subunit beta; Flags: Precursor" . . . . . 97.81 510 99.10 100.00 2.35e-152 . . . . 15303 1 28 no SP Q5R5B6 . "RecName: Full=Protein disulfide-isomerase; Short=PDI; AltName: Full=Cellular thyroid hormone-binding protein; AltName: Full=Pro" . . . . . 97.81 508 99.10 99.55 1.55e-152 . . . . 15303 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein folding' 15303 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 . GLY . 15303 1 2 . PRO . 15303 1 3 . LEU . 15303 1 4 . GLY . 15303 1 5 . SER . 15303 1 6 . PRO . 15303 1 7 . ALA . 15303 1 8 . ALA . 15303 1 9 . THR . 15303 1 10 . THR . 15303 1 11 . LEU . 15303 1 12 . PRO . 15303 1 13 . ASP . 15303 1 14 . GLY . 15303 1 15 . ALA . 15303 1 16 . ALA . 15303 1 17 . ALA . 15303 1 18 . GLU . 15303 1 19 . SER . 15303 1 20 . LEU . 15303 1 21 . VAL . 15303 1 22 . GLU . 15303 1 23 . SER . 15303 1 24 . SER . 15303 1 25 . GLU . 15303 1 26 . VAL . 15303 1 27 . ALA . 15303 1 28 . VAL . 15303 1 29 . ILE . 15303 1 30 . GLY . 15303 1 31 . PHE . 15303 1 32 . PHE . 15303 1 33 . LYS . 15303 1 34 . ASP . 15303 1 35 . VAL . 15303 1 36 . GLU . 15303 1 37 . SER . 15303 1 38 . ASP . 15303 1 39 . SER . 15303 1 40 . ALA . 15303 1 41 . LYS . 15303 1 42 . GLN . 15303 1 43 . PHE . 15303 1 44 . LEU . 15303 1 45 . GLN . 15303 1 46 . ALA . 15303 1 47 . ALA . 15303 1 48 . GLU . 15303 1 49 . ALA . 15303 1 50 . ILE . 15303 1 51 . ASP . 15303 1 52 . ASP . 15303 1 53 . ILE . 15303 1 54 . PRO . 15303 1 55 . PHE . 15303 1 56 . GLY . 15303 1 57 . ILE . 15303 1 58 . THR . 15303 1 59 . SER . 15303 1 60 . ASN . 15303 1 61 . SER . 15303 1 62 . ASP . 15303 1 63 . VAL . 15303 1 64 . PHE . 15303 1 65 . SER . 15303 1 66 . LYS . 15303 1 67 . TYR . 15303 1 68 . GLN . 15303 1 69 . LEU . 15303 1 70 . ASP . 15303 1 71 . LYS . 15303 1 72 . ASP . 15303 1 73 . GLY . 15303 1 74 . VAL . 15303 1 75 . VAL . 15303 1 76 . LEU . 15303 1 77 . PHE . 15303 1 78 . LYS . 15303 1 79 . LYS . 15303 1 80 . PHE . 15303 1 81 . ASP . 15303 1 82 . GLU . 15303 1 83 . GLY . 15303 1 84 . ARG . 15303 1 85 . ASN . 15303 1 86 . ASN . 15303 1 87 . PHE . 15303 1 88 . GLU . 15303 1 89 . GLY . 15303 1 90 . GLU . 15303 1 91 . VAL . 15303 1 92 . THR . 15303 1 93 . LYS . 15303 1 94 . GLU . 15303 1 95 . ASN . 15303 1 96 . LEU . 15303 1 97 . LEU . 15303 1 98 . ASP . 15303 1 99 . PHE . 15303 1 100 . ILE . 15303 1 101 . LYS . 15303 1 102 . HIS . 15303 1 103 . ASN . 15303 1 104 . GLN . 15303 1 105 . LEU . 15303 1 106 . PRO . 15303 1 107 . LEU . 15303 1 108 . VAL . 15303 1 109 . ILE . 15303 1 110 . GLU . 15303 1 111 . PHE . 15303 1 112 . THR . 15303 1 113 . GLU . 15303 1 114 . GLN . 15303 1 115 . THR . 15303 1 116 . ALA . 15303 1 117 . PRO . 15303 1 118 . LYS . 15303 1 119 . ILE . 15303 1 120 . PHE . 15303 1 121 . GLY . 15303 1 122 . GLY . 15303 1 123 . GLU . 15303 1 124 . ILE . 15303 1 125 . LYS . 15303 1 126 . THR . 15303 1 127 . HIS . 15303 1 128 . ILE . 15303 1 129 . LEU . 15303 1 130 . LEU . 15303 1 131 . PHE . 15303 1 132 . LEU . 15303 1 133 . PRO . 15303 1 134 . LYS . 15303 1 135 . SER . 15303 1 136 . VAL . 15303 1 137 . SER . 15303 1 138 . ASP . 15303 1 139 . TYR . 15303 1 140 . ASP . 15303 1 141 . GLY . 15303 1 142 . LYS . 15303 1 143 . LEU . 15303 1 144 . SER . 15303 1 145 . ASN . 15303 1 146 . PHE . 15303 1 147 . LYS . 15303 1 148 . THR . 15303 1 149 . ALA . 15303 1 150 . ALA . 15303 1 151 . GLU . 15303 1 152 . SER . 15303 1 153 . PHE . 15303 1 154 . LYS . 15303 1 155 . GLY . 15303 1 156 . LYS . 15303 1 157 . ILE . 15303 1 158 . LEU . 15303 1 159 . PHE . 15303 1 160 . ILE . 15303 1 161 . PHE . 15303 1 162 . ILE . 15303 1 163 . ASP . 15303 1 164 . SER . 15303 1 165 . ASP . 15303 1 166 . HIS . 15303 1 167 . THR . 15303 1 168 . ASP . 15303 1 169 . ASN . 15303 1 170 . GLN . 15303 1 171 . ARG . 15303 1 172 . ILE . 15303 1 173 . LEU . 15303 1 174 . GLU . 15303 1 175 . PHE . 15303 1 176 . PHE . 15303 1 177 . GLY . 15303 1 178 . LEU . 15303 1 179 . LYS . 15303 1 180 . LYS . 15303 1 181 . GLU . 15303 1 182 . GLU . 15303 1 183 . CYS . 15303 1 184 . PRO . 15303 1 185 . ALA . 15303 1 186 . VAL . 15303 1 187 . ARG . 15303 1 188 . LEU . 15303 1 189 . ILE . 15303 1 190 . THR . 15303 1 191 . LEU . 15303 1 192 . GLU . 15303 1 193 . GLU . 15303 1 194 . GLU . 15303 1 195 . MET . 15303 1 196 . THR . 15303 1 197 . LYS . 15303 1 198 . TYR . 15303 1 199 . LYS . 15303 1 200 . PRO . 15303 1 201 . GLU . 15303 1 202 . SER . 15303 1 203 . GLU . 15303 1 204 . GLU . 15303 1 205 . LEU . 15303 1 206 . THR . 15303 1 207 . ALA . 15303 1 208 . GLU . 15303 1 209 . ARG . 15303 1 210 . ILE . 15303 1 211 . THR . 15303 1 212 . GLU . 15303 1 213 . PHE . 15303 1 214 . CYS . 15303 1 215 . HIS . 15303 1 216 . ARG . 15303 1 217 . PHE . 15303 1 218 . LEU . 15303 1 219 . GLU . 15303 1 220 . GLY . 15303 1 221 . LYS . 15303 1 222 . ILE . 15303 1 223 . LYS . 15303 1 224 . PRO . 15303 1 225 . HIS . 15303 1 226 . LEU . 15303 1 227 . MET . 15303 1 228 . SER . 15303 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15303 1 . PRO 2 2 15303 1 . LEU 3 3 15303 1 . GLY 4 4 15303 1 . SER 5 5 15303 1 . PRO 6 6 15303 1 . ALA 7 7 15303 1 . ALA 8 8 15303 1 . THR 9 9 15303 1 . THR 10 10 15303 1 . LEU 11 11 15303 1 . PRO 12 12 15303 1 . ASP 13 13 15303 1 . GLY 14 14 15303 1 . ALA 15 15 15303 1 . ALA 16 16 15303 1 . ALA 17 17 15303 1 . GLU 18 18 15303 1 . SER 19 19 15303 1 . LEU 20 20 15303 1 . VAL 21 21 15303 1 . GLU 22 22 15303 1 . SER 23 23 15303 1 . SER 24 24 15303 1 . GLU 25 25 15303 1 . VAL 26 26 15303 1 . ALA 27 27 15303 1 . VAL 28 28 15303 1 . ILE 29 29 15303 1 . GLY 30 30 15303 1 . PHE 31 31 15303 1 . PHE 32 32 15303 1 . LYS 33 33 15303 1 . ASP 34 34 15303 1 . VAL 35 35 15303 1 . GLU 36 36 15303 1 . SER 37 37 15303 1 . ASP 38 38 15303 1 . SER 39 39 15303 1 . ALA 40 40 15303 1 . LYS 41 41 15303 1 . GLN 42 42 15303 1 . PHE 43 43 15303 1 . LEU 44 44 15303 1 . GLN 45 45 15303 1 . ALA 46 46 15303 1 . ALA 47 47 15303 1 . GLU 48 48 15303 1 . ALA 49 49 15303 1 . ILE 50 50 15303 1 . ASP 51 51 15303 1 . ASP 52 52 15303 1 . ILE 53 53 15303 1 . PRO 54 54 15303 1 . PHE 55 55 15303 1 . GLY 56 56 15303 1 . ILE 57 57 15303 1 . THR 58 58 15303 1 . SER 59 59 15303 1 . ASN 60 60 15303 1 . SER 61 61 15303 1 . ASP 62 62 15303 1 . VAL 63 63 15303 1 . PHE 64 64 15303 1 . SER 65 65 15303 1 . LYS 66 66 15303 1 . TYR 67 67 15303 1 . GLN 68 68 15303 1 . LEU 69 69 15303 1 . ASP 70 70 15303 1 . LYS 71 71 15303 1 . ASP 72 72 15303 1 . GLY 73 73 15303 1 . VAL 74 74 15303 1 . VAL 75 75 15303 1 . LEU 76 76 15303 1 . PHE 77 77 15303 1 . LYS 78 78 15303 1 . LYS 79 79 15303 1 . PHE 80 80 15303 1 . ASP 81 81 15303 1 . GLU 82 82 15303 1 . GLY 83 83 15303 1 . ARG 84 84 15303 1 . ASN 85 85 15303 1 . ASN 86 86 15303 1 . PHE 87 87 15303 1 . GLU 88 88 15303 1 . GLY 89 89 15303 1 . GLU 90 90 15303 1 . VAL 91 91 15303 1 . THR 92 92 15303 1 . LYS 93 93 15303 1 . GLU 94 94 15303 1 . ASN 95 95 15303 1 . LEU 96 96 15303 1 . LEU 97 97 15303 1 . ASP 98 98 15303 1 . PHE 99 99 15303 1 . ILE 100 100 15303 1 . LYS 101 101 15303 1 . HIS 102 102 15303 1 . ASN 103 103 15303 1 . GLN 104 104 15303 1 . LEU 105 105 15303 1 . PRO 106 106 15303 1 . LEU 107 107 15303 1 . VAL 108 108 15303 1 . ILE 109 109 15303 1 . GLU 110 110 15303 1 . PHE 111 111 15303 1 . THR 112 112 15303 1 . GLU 113 113 15303 1 . GLN 114 114 15303 1 . THR 115 115 15303 1 . ALA 116 116 15303 1 . PRO 117 117 15303 1 . LYS 118 118 15303 1 . ILE 119 119 15303 1 . PHE 120 120 15303 1 . GLY 121 121 15303 1 . GLY 122 122 15303 1 . GLU 123 123 15303 1 . ILE 124 124 15303 1 . LYS 125 125 15303 1 . THR 126 126 15303 1 . HIS 127 127 15303 1 . ILE 128 128 15303 1 . LEU 129 129 15303 1 . LEU 130 130 15303 1 . PHE 131 131 15303 1 . LEU 132 132 15303 1 . PRO 133 133 15303 1 . LYS 134 134 15303 1 . SER 135 135 15303 1 . VAL 136 136 15303 1 . SER 137 137 15303 1 . ASP 138 138 15303 1 . TYR 139 139 15303 1 . ASP 140 140 15303 1 . GLY 141 141 15303 1 . LYS 142 142 15303 1 . LEU 143 143 15303 1 . SER 144 144 15303 1 . ASN 145 145 15303 1 . PHE 146 146 15303 1 . LYS 147 147 15303 1 . THR 148 148 15303 1 . ALA 149 149 15303 1 . ALA 150 150 15303 1 . GLU 151 151 15303 1 . SER 152 152 15303 1 . PHE 153 153 15303 1 . LYS 154 154 15303 1 . GLY 155 155 15303 1 . LYS 156 156 15303 1 . ILE 157 157 15303 1 . LEU 158 158 15303 1 . PHE 159 159 15303 1 . ILE 160 160 15303 1 . PHE 161 161 15303 1 . ILE 162 162 15303 1 . ASP 163 163 15303 1 . SER 164 164 15303 1 . ASP 165 165 15303 1 . HIS 166 166 15303 1 . THR 167 167 15303 1 . ASP 168 168 15303 1 . ASN 169 169 15303 1 . GLN 170 170 15303 1 . ARG 171 171 15303 1 . ILE 172 172 15303 1 . LEU 173 173 15303 1 . GLU 174 174 15303 1 . PHE 175 175 15303 1 . PHE 176 176 15303 1 . GLY 177 177 15303 1 . LEU 178 178 15303 1 . LYS 179 179 15303 1 . LYS 180 180 15303 1 . GLU 181 181 15303 1 . GLU 182 182 15303 1 . CYS 183 183 15303 1 . PRO 184 184 15303 1 . ALA 185 185 15303 1 . VAL 186 186 15303 1 . ARG 187 187 15303 1 . LEU 188 188 15303 1 . ILE 189 189 15303 1 . THR 190 190 15303 1 . LEU 191 191 15303 1 . GLU 192 192 15303 1 . GLU 193 193 15303 1 . GLU 194 194 15303 1 . MET 195 195 15303 1 . THR 196 196 15303 1 . LYS 197 197 15303 1 . TYR 198 198 15303 1 . LYS 199 199 15303 1 . PRO 200 200 15303 1 . GLU 201 201 15303 1 . SER 202 202 15303 1 . GLU 203 203 15303 1 . GLU 204 204 15303 1 . LEU 205 205 15303 1 . THR 206 206 15303 1 . ALA 207 207 15303 1 . GLU 208 208 15303 1 . ARG 209 209 15303 1 . ILE 210 210 15303 1 . THR 211 211 15303 1 . GLU 212 212 15303 1 . PHE 213 213 15303 1 . CYS 214 214 15303 1 . HIS 215 215 15303 1 . ARG 216 216 15303 1 . PHE 217 217 15303 1 . LEU 218 218 15303 1 . GLU 219 219 15303 1 . GLY 220 220 15303 1 . LYS 221 221 15303 1 . ILE 222 222 15303 1 . LYS 223 223 15303 1 . PRO 224 224 15303 1 . HIS 225 225 15303 1 . LEU 226 226 15303 1 . MET 227 227 15303 1 . SER 228 228 15303 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15303 _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 $bb-PDI . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15303 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 15303 _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 $bb-PDI . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pGEX-6P-1 . . . . . . 15303 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15303 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 bb-PDI '[U-100% 13C; U-100% 15N]' . . 1 $bb-PDI . . 2 . . mM . . . . 15303 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15303 1 3 'sodium chloride' 'natural abundance' . . . . . . 70 . . mM . . . . 15303 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 15303 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15303 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15303 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 bb-PDI '[U-100% 13C; U-100% 15N]' . . 1 $bb-PDI . . 2 . . mM . . . . 15303 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15303 2 3 'sodium chloride' 'natural abundance' . . . . . . 70 . . mM . . . . 15303 2 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 15303 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15303 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15303 _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 'ionic strength' 0.1 . M 15303 1 pH 7.0 . pH 15303 1 pressure 1 . atm 15303 1 temperature 303 . K 15303 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15303 _Software.ID 1 _Software.Name XEASY _Software.Version 1.3.13 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15303 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15303 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15303 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15303 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15303 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15303 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15303 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15303 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 15303 1 2 spectrometer_2 Bruker DRX . 600 . . . 15303 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 15303 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15303 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15303 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15303 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15303 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15303 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15303 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15303 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15303 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15303 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15303 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15303 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15303 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Extra peaks of second (minor) form of PDI-bb were found just for few N- and C-terminal residues which is probably result of cis-trans isomerization for Pro-6 and Pro-224 residues. Additional 15N and 1H backbone amide chemical shifts are corresponding to (in ppm): LEU-3 (121.4, 8.51), GLY-4 (109.4, 8.19), SER-5 (115.4, 7.83), ILE-222 (118.9, 7.63), LYS-223 (125.5, 8.08), HIS-225 (119.0, 8.33), LEU-226 (123.2, 8.03), MET-227 (121.2, 8.28). ; _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 '3D HNCACB' . . . 15303 1 2 '3D CBCA(CO)NH' . . . 15303 1 4 '3D 1H-15N NOESY' . . . 15303 1 5 '3D HNCO' . . . 15303 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 PRO C C 13 176.9 0.20 . 1 . . . . 2 PRO C . 15303 1 2 . 1 1 2 2 PRO CA C 13 63.0 0.20 . 1 . . . . 2 PRO CA . 15303 1 3 . 1 1 2 2 PRO CB C 13 32.1 0.20 . 1 . . . . 2 PRO CB . 15303 1 4 . 1 1 3 3 LEU H H 1 8.51 0.01 . 1 . . . . 3 LEU HN . 15303 1 5 . 1 1 3 3 LEU HA H 1 4.32 0.01 . 1 . . . . 3 LEU HA . 15303 1 6 . 1 1 3 3 LEU HB2 H 1 1.65 0.01 . 2 . . . . 3 LEU HB2 . 15303 1 7 . 1 1 3 3 LEU HD11 H 1 0.91 0.01 . 2 . . . . 3 LEU HD1 . 15303 1 8 . 1 1 3 3 LEU HD12 H 1 0.91 0.01 . 2 . . . . 3 LEU HD1 . 15303 1 9 . 1 1 3 3 LEU HD13 H 1 0.91 0.01 . 2 . . . . 3 LEU HD1 . 15303 1 10 . 1 1 3 3 LEU C C 13 177.9 0.20 . 1 . . . . 3 LEU C . 15303 1 11 . 1 1 3 3 LEU CA C 13 55.5 0.20 . 1 . . . . 3 LEU CA . 15303 1 12 . 1 1 3 3 LEU CB C 13 42.0 0.20 . 1 . . . . 3 LEU CB . 15303 1 13 . 1 1 3 3 LEU N N 15 122.4 0.25 . 1 . . . . 3 LEU N . 15303 1 14 . 1 1 4 4 GLY H H 1 8.45 0.01 . 1 . . . . 4 GLY HN . 15303 1 15 . 1 1 4 4 GLY HA2 H 1 3.90 0.01 . 2 . . . . 4 GLY HA1 . 15303 1 16 . 1 1 4 4 GLY HA3 H 1 4.02 0.01 . 2 . . . . 4 GLY HA2 . 15303 1 17 . 1 1 4 4 GLY C C 13 173.8 0.20 . 1 . . . . 4 GLY C . 15303 1 18 . 1 1 4 4 GLY CA C 13 45.1 0.20 . 1 . . . . 4 GLY CA . 15303 1 19 . 1 1 4 4 GLY N N 15 110.2 0.25 . 1 . . . . 4 GLY N . 15303 1 20 . 1 1 5 5 SER H H 1 8.04 0.01 . 1 . . . . 5 SER HN . 15303 1 21 . 1 1 5 5 SER HA H 1 4.01 0.01 . 1 . . . . 5 SER HA . 15303 1 22 . 1 1 5 5 SER HB2 H 1 3.85 0.01 . 2 . . . . 5 SER HB2 . 15303 1 23 . 1 1 5 5 SER CA C 13 56.3 0.20 . 1 . . . . 5 SER CA . 15303 1 24 . 1 1 5 5 SER CB C 13 63.3 0.20 . 1 . . . . 5 SER CB . 15303 1 25 . 1 1 5 5 SER N N 15 116.9 0.25 . 1 . . . . 5 SER N . 15303 1 26 . 1 1 6 6 PRO HA H 1 4.45 0.01 . 1 . . . . 6 PRO HA . 15303 1 27 . 1 1 6 6 PRO HB2 H 1 2.33 0.01 . 2 . . . . 6 PRO HB2 . 15303 1 28 . 1 1 6 6 PRO HB3 H 1 2.03 0.01 . 2 . . . . 6 PRO HB3 . 15303 1 29 . 1 1 6 6 PRO C C 13 176.7 0.20 . 1 . . . . 6 PRO C . 15303 1 30 . 1 1 6 6 PRO CA C 13 63.0 0.20 . 1 . . . . 6 PRO CA . 15303 1 31 . 1 1 6 6 PRO CB C 13 32.0 0.20 . 1 . . . . 6 PRO CB . 15303 1 32 . 1 1 7 7 ALA H H 1 8.56 0.01 . 1 . . . . 7 ALA HN . 15303 1 33 . 1 1 7 7 ALA HA H 1 4.10 0.01 . 1 . . . . 7 ALA HA . 15303 1 34 . 1 1 7 7 ALA HB1 H 1 1.23 0.01 . 1 . . . . 7 ALA HB . 15303 1 35 . 1 1 7 7 ALA HB2 H 1 1.23 0.01 . 1 . . . . 7 ALA HB . 15303 1 36 . 1 1 7 7 ALA HB3 H 1 1.23 0.01 . 1 . . . . 7 ALA HB . 15303 1 37 . 1 1 7 7 ALA C C 13 176.6 0.20 . 1 . . . . 7 ALA C . 15303 1 38 . 1 1 7 7 ALA CA C 13 53.4 0.20 . 1 . . . . 7 ALA CA . 15303 1 39 . 1 1 7 7 ALA CB C 13 19.6 0.20 . 1 . . . . 7 ALA CB . 15303 1 40 . 1 1 7 7 ALA N N 15 123.6 0.25 . 1 . . . . 7 ALA N . 15303 1 41 . 1 1 8 8 ALA H H 1 7.41 0.01 . 1 . . . . 8 ALA HN . 15303 1 42 . 1 1 8 8 ALA HA H 1 4.68 0.01 . 1 . . . . 8 ALA HA . 15303 1 43 . 1 1 8 8 ALA HB1 H 1 1.00 0.01 . 1 . . . . 8 ALA HB . 15303 1 44 . 1 1 8 8 ALA HB2 H 1 1.00 0.01 . 1 . . . . 8 ALA HB . 15303 1 45 . 1 1 8 8 ALA HB3 H 1 1.00 0.01 . 1 . . . . 8 ALA HB . 15303 1 46 . 1 1 8 8 ALA C C 13 175.9 0.20 . 1 . . . . 8 ALA C . 15303 1 47 . 1 1 8 8 ALA CA C 13 50.1 0.20 . 1 . . . . 8 ALA CA . 15303 1 48 . 1 1 8 8 ALA CB C 13 21.3 0.20 . 1 . . . . 8 ALA CB . 15303 1 49 . 1 1 8 8 ALA N N 15 116.2 0.25 . 1 . . . . 8 ALA N . 15303 1 50 . 1 1 9 9 THR H H 1 8.67 0.01 . 1 . . . . 9 THR HN . 15303 1 51 . 1 1 9 9 THR HA H 1 4.33 0.01 . 1 . . . . 9 THR HA . 15303 1 52 . 1 1 9 9 THR HB H 1 4.01 0.01 . 1 . . . . 9 THR HB . 15303 1 53 . 1 1 9 9 THR HG21 H 1 1.28 0.01 . 1 . . . . 9 THR HG2 . 15303 1 54 . 1 1 9 9 THR HG22 H 1 1.28 0.01 . 1 . . . . 9 THR HG2 . 15303 1 55 . 1 1 9 9 THR HG23 H 1 1.28 0.01 . 1 . . . . 9 THR HG2 . 15303 1 56 . 1 1 9 9 THR C C 13 174.4 0.20 . 1 . . . . 9 THR C . 15303 1 57 . 1 1 9 9 THR CA C 13 62.6 0.20 . 1 . . . . 9 THR CA . 15303 1 58 . 1 1 9 9 THR CB C 13 70.1 0.20 . 1 . . . . 9 THR CB . 15303 1 59 . 1 1 9 9 THR N N 15 119.9 0.25 . 1 . . . . 9 THR N . 15303 1 60 . 1 1 10 10 THR H H 1 9.00 0.01 . 1 . . . . 10 THR HN . 15303 1 61 . 1 1 10 10 THR HA H 1 4.58 0.01 . 1 . . . . 10 THR HA . 15303 1 62 . 1 1 10 10 THR HB H 1 4.09 0.01 . 1 . . . . 10 THR HB . 15303 1 63 . 1 1 10 10 THR HG21 H 1 1.21 0.01 . 1 . . . . 10 THR HG2 . 15303 1 64 . 1 1 10 10 THR HG22 H 1 1.21 0.01 . 1 . . . . 10 THR HG2 . 15303 1 65 . 1 1 10 10 THR HG23 H 1 1.21 0.01 . 1 . . . . 10 THR HG2 . 15303 1 66 . 1 1 10 10 THR C C 13 174.1 0.20 . 1 . . . . 10 THR C . 15303 1 67 . 1 1 10 10 THR CA C 13 63.9 0.20 . 1 . . . . 10 THR CA . 15303 1 68 . 1 1 10 10 THR CB C 13 68.5 0.20 . 1 . . . . 10 THR CB . 15303 1 69 . 1 1 10 10 THR N N 15 125.9 0.25 . 1 . . . . 10 THR N . 15303 1 70 . 1 1 11 11 LEU H H 1 9.01 0.01 . 1 . . . . 11 LEU HN . 15303 1 71 . 1 1 11 11 LEU HA H 1 4.97 0.01 . 1 . . . . 11 LEU HA . 15303 1 72 . 1 1 11 11 LEU HB2 H 1 1.91 0.01 . 2 . . . . 11 LEU HB2 . 15303 1 73 . 1 1 11 11 LEU HD11 H 1 0.68 0.01 . 2 . . . . 11 LEU HD1 . 15303 1 74 . 1 1 11 11 LEU HD12 H 1 0.68 0.01 . 2 . . . . 11 LEU HD1 . 15303 1 75 . 1 1 11 11 LEU HD13 H 1 0.68 0.01 . 2 . . . . 11 LEU HD1 . 15303 1 76 . 1 1 11 11 LEU HG H 1 1.65 0.01 . 1 . . . . 11 LEU HG . 15303 1 77 . 1 1 11 11 LEU CA C 13 50.2 0.20 . 1 . . . . 11 LEU CA . 15303 1 78 . 1 1 11 11 LEU CB C 13 41.7 0.20 . 1 . . . . 11 LEU CB . 15303 1 79 . 1 1 11 11 LEU N N 15 127.2 0.25 . 1 . . . . 11 LEU N . 15303 1 80 . 1 1 12 12 PRO HA H 1 4.52 0.01 . 1 . . . . 12 PRO HA . 15303 1 81 . 1 1 12 12 PRO HB2 H 1 2.42 0.01 . 2 . . . . 12 PRO HB2 . 15303 1 82 . 1 1 12 12 PRO HB3 H 1 2.03 0.01 . 2 . . . . 12 PRO HB3 . 15303 1 83 . 1 1 12 12 PRO C C 13 175.3 0.20 . 1 . . . . 12 PRO C . 15303 1 84 . 1 1 12 12 PRO CA C 13 63.9 0.20 . 1 . . . . 12 PRO CA . 15303 1 85 . 1 1 12 12 PRO CB C 13 32.7 0.20 . 1 . . . . 12 PRO CB . 15303 1 86 . 1 1 13 13 ASP H H 1 7.11 0.01 . 1 . . . . 13 ASP HN . 15303 1 87 . 1 1 13 13 ASP HA H 1 4.42 0.01 . 1 . . . . 13 ASP HA . 15303 1 88 . 1 1 13 13 ASP HB2 H 1 3.02 0.01 . 2 . . . . 13 ASP HB2 . 15303 1 89 . 1 1 13 13 ASP HB3 H 1 2.87 0.01 . 2 . . . . 13 ASP HB3 . 15303 1 90 . 1 1 13 13 ASP C C 13 175.4 0.20 . 1 . . . . 13 ASP C . 15303 1 91 . 1 1 13 13 ASP CA C 13 52.3 0.20 . 1 . . . . 13 ASP CA . 15303 1 92 . 1 1 13 13 ASP CB C 13 42.0 0.20 . 1 . . . . 13 ASP CB . 15303 1 93 . 1 1 13 13 ASP N N 15 112.1 0.25 . 1 . . . . 13 ASP N . 15303 1 94 . 1 1 14 14 GLY H H 1 9.12 0.01 . 1 . . . . 14 GLY HN . 15303 1 95 . 1 1 14 14 GLY HA2 H 1 3.61 0.01 . 2 . . . . 14 GLY HA1 . 15303 1 96 . 1 1 14 14 GLY HA3 H 1 4.01 0.01 . 2 . . . . 14 GLY HA2 . 15303 1 97 . 1 1 14 14 GLY C C 13 175.1 0.20 . 1 . . . . 14 GLY C . 15303 1 98 . 1 1 14 14 GLY CA C 13 47.4 0.20 . 1 . . . . 14 GLY CA . 15303 1 99 . 1 1 14 14 GLY N N 15 106.6 0.25 . 1 . . . . 14 GLY N . 15303 1 100 . 1 1 15 15 ALA H H 1 8.05 0.01 . 1 . . . . 15 ALA HN . 15303 1 101 . 1 1 15 15 ALA HA H 1 4.17 0.01 . 1 . . . . 15 ALA HA . 15303 1 102 . 1 1 15 15 ALA HB1 H 1 1.41 0.01 . 1 . . . . 15 ALA HB . 15303 1 103 . 1 1 15 15 ALA HB2 H 1 1.41 0.01 . 1 . . . . 15 ALA HB . 15303 1 104 . 1 1 15 15 ALA HB3 H 1 1.41 0.01 . 1 . . . . 15 ALA HB . 15303 1 105 . 1 1 15 15 ALA C C 13 180.5 0.20 . 1 . . . . 15 ALA C . 15303 1 106 . 1 1 15 15 ALA CA C 13 54.8 0.20 . 1 . . . . 15 ALA CA . 15303 1 107 . 1 1 15 15 ALA CB C 13 17.6 0.20 . 1 . . . . 15 ALA CB . 15303 1 108 . 1 1 15 15 ALA N N 15 125.1 0.25 . 1 . . . . 15 ALA N . 15303 1 109 . 1 1 16 16 ALA H H 1 8.26 0.01 . 1 . . . . 16 ALA HN . 15303 1 110 . 1 1 16 16 ALA HA H 1 4.17 0.01 . 1 . . . . 16 ALA HA . 15303 1 111 . 1 1 16 16 ALA HB1 H 1 1.65 0.01 . 1 . . . . 16 ALA HB . 15303 1 112 . 1 1 16 16 ALA HB2 H 1 1.65 0.01 . 1 . . . . 16 ALA HB . 15303 1 113 . 1 1 16 16 ALA HB3 H 1 1.65 0.01 . 1 . . . . 16 ALA HB . 15303 1 114 . 1 1 16 16 ALA C C 13 180.5 0.20 . 1 . . . . 16 ALA C . 15303 1 115 . 1 1 16 16 ALA CA C 13 54.5 0.20 . 1 . . . . 16 ALA CA . 15303 1 116 . 1 1 16 16 ALA CB C 13 18.6 0.20 . 1 . . . . 16 ALA CB . 15303 1 117 . 1 1 16 16 ALA N N 15 121.6 0.25 . 1 . . . . 16 ALA N . 15303 1 118 . 1 1 17 17 ALA H H 1 7.60 0.01 . 1 . . . . 17 ALA HN . 15303 1 119 . 1 1 17 17 ALA HA H 1 3.99 0.01 . 1 . . . . 17 ALA HA . 15303 1 120 . 1 1 17 17 ALA HB1 H 1 1.53 0.01 . 1 . . . . 17 ALA HB . 15303 1 121 . 1 1 17 17 ALA HB2 H 1 1.53 0.01 . 1 . . . . 17 ALA HB . 15303 1 122 . 1 1 17 17 ALA HB3 H 1 1.53 0.01 . 1 . . . . 17 ALA HB . 15303 1 123 . 1 1 17 17 ALA C C 13 177.2 0.20 . 1 . . . . 17 ALA C . 15303 1 124 . 1 1 17 17 ALA CA C 13 55.4 0.20 . 1 . . . . 17 ALA CA . 15303 1 125 . 1 1 17 17 ALA CB C 13 18.7 0.20 . 1 . . . . 17 ALA CB . 15303 1 126 . 1 1 17 17 ALA N N 15 120.6 0.25 . 1 . . . . 17 ALA N . 15303 1 127 . 1 1 18 18 GLU H H 1 8.45 0.01 . 1 . . . . 18 GLU HN . 15303 1 128 . 1 1 18 18 GLU HA H 1 3.79 0.01 . 1 . . . . 18 GLU HA . 15303 1 129 . 1 1 18 18 GLU HB2 H 1 2.01 0.01 . 2 . . . . 18 GLU HB2 . 15303 1 130 . 1 1 18 18 GLU HG2 H 1 2.21 0.01 . 2 . . . . 18 GLU HG2 . 15303 1 131 . 1 1 18 18 GLU HG3 H 1 2.38 0.01 . 2 . . . . 18 GLU HG3 . 15303 1 132 . 1 1 18 18 GLU C C 13 178.8 0.20 . 1 . . . . 18 GLU C . 15303 1 133 . 1 1 18 18 GLU CA C 13 59.2 0.20 . 1 . . . . 18 GLU CA . 15303 1 134 . 1 1 18 18 GLU CB C 13 29.5 0.20 . 1 . . . . 18 GLU CB . 15303 1 135 . 1 1 18 18 GLU N N 15 117.1 0.25 . 1 . . . . 18 GLU N . 15303 1 136 . 1 1 19 19 SER H H 1 7.92 0.01 . 1 . . . . 19 SER HN . 15303 1 137 . 1 1 19 19 SER HA H 1 4.15 0.01 . 1 . . . . 19 SER HA . 15303 1 138 . 1 1 19 19 SER HB2 H 1 3.94 0.01 . 2 . . . . 19 SER HB2 . 15303 1 139 . 1 1 19 19 SER C C 13 176.8 0.20 . 1 . . . . 19 SER C . 15303 1 140 . 1 1 19 19 SER CA C 13 61.3 0.20 . 1 . . . . 19 SER CA . 15303 1 141 . 1 1 19 19 SER CB C 13 62.4 0.20 . 1 . . . . 19 SER CB . 15303 1 142 . 1 1 19 19 SER N N 15 112.8 0.25 . 1 . . . . 19 SER N . 15303 1 143 . 1 1 20 20 LEU H H 1 7.46 0.01 . 1 . . . . 20 LEU HN . 15303 1 144 . 1 1 20 20 LEU HA H 1 4.02 0.01 . 1 . . . . 20 LEU HA . 15303 1 145 . 1 1 20 20 LEU HB2 H 1 1.84 0.01 . 2 . . . . 20 LEU HB2 . 15303 1 146 . 1 1 20 20 LEU HD11 H 1 0.85 0.01 . 2 . . . . 20 LEU HD1 . 15303 1 147 . 1 1 20 20 LEU HD12 H 1 0.85 0.01 . 2 . . . . 20 LEU HD1 . 15303 1 148 . 1 1 20 20 LEU HD13 H 1 0.85 0.01 . 2 . . . . 20 LEU HD1 . 15303 1 149 . 1 1 20 20 LEU HD21 H 1 0.70 0.01 . 2 . . . . 20 LEU HD2 . 15303 1 150 . 1 1 20 20 LEU HD22 H 1 0.70 0.01 . 2 . . . . 20 LEU HD2 . 15303 1 151 . 1 1 20 20 LEU HD23 H 1 0.70 0.01 . 2 . . . . 20 LEU HD2 . 15303 1 152 . 1 1 20 20 LEU HG H 1 1.56 0.01 . 1 . . . . 20 LEU HG . 15303 1 153 . 1 1 20 20 LEU C C 13 179.2 0.20 . 1 . . . . 20 LEU C . 15303 1 154 . 1 1 20 20 LEU CA C 13 58.4 0.20 . 1 . . . . 20 LEU CA . 15303 1 155 . 1 1 20 20 LEU CB C 13 41.6 0.20 . 1 . . . . 20 LEU CB . 15303 1 156 . 1 1 20 20 LEU N N 15 123.0 0.25 . 1 . . . . 20 LEU N . 15303 1 157 . 1 1 21 21 VAL H H 1 7.98 0.01 . 1 . . . . 21 VAL HN . 15303 1 158 . 1 1 21 21 VAL HA H 1 3.09 0.01 . 1 . . . . 21 VAL HA . 15303 1 159 . 1 1 21 21 VAL HB H 1 1.76 0.01 . 1 . . . . 21 VAL HB . 15303 1 160 . 1 1 21 21 VAL HG11 H 1 0.53 0.01 . 2 . . . . 21 VAL HG1 . 15303 1 161 . 1 1 21 21 VAL HG12 H 1 0.53 0.01 . 2 . . . . 21 VAL HG1 . 15303 1 162 . 1 1 21 21 VAL HG13 H 1 0.53 0.01 . 2 . . . . 21 VAL HG1 . 15303 1 163 . 1 1 21 21 VAL HG21 H 1 0.10 0.01 . 2 . . . . 21 VAL HG2 . 15303 1 164 . 1 1 21 21 VAL HG22 H 1 0.10 0.01 . 2 . . . . 21 VAL HG2 . 15303 1 165 . 1 1 21 21 VAL HG23 H 1 0.10 0.01 . 2 . . . . 21 VAL HG2 . 15303 1 166 . 1 1 21 21 VAL C C 13 177.6 0.20 . 1 . . . . 21 VAL C . 15303 1 167 . 1 1 21 21 VAL CA C 13 66.8 0.20 . 1 . . . . 21 VAL CA . 15303 1 168 . 1 1 21 21 VAL CB C 13 31.6 0.20 . 1 . . . . 21 VAL CB . 15303 1 169 . 1 1 21 21 VAL N N 15 119.5 0.25 . 1 . . . . 21 VAL N . 15303 1 170 . 1 1 22 22 GLU H H 1 8.18 0.01 . 1 . . . . 22 GLU HN . 15303 1 171 . 1 1 22 22 GLU HA H 1 4.04 0.01 . 1 . . . . 22 GLU HA . 15303 1 172 . 1 1 22 22 GLU HB2 H 1 2.03 0.01 . 2 . . . . 22 GLU HB2 . 15303 1 173 . 1 1 22 22 GLU HG2 H 1 2.32 0.01 . 2 . . . . 22 GLU HG2 . 15303 1 174 . 1 1 22 22 GLU C C 13 178.7 0.20 . 1 . . . . 22 GLU C . 15303 1 175 . 1 1 22 22 GLU CA C 13 58.0 0.20 . 1 . . . . 22 GLU CA . 15303 1 176 . 1 1 22 22 GLU CB C 13 29.5 0.20 . 1 . . . . 22 GLU CB . 15303 1 177 . 1 1 22 22 GLU N N 15 114.8 0.25 . 1 . . . . 22 GLU N . 15303 1 178 . 1 1 23 23 SER H H 1 7.57 0.01 . 1 . . . . 23 SER HN . 15303 1 179 . 1 1 23 23 SER HA H 1 4.36 0.01 . 1 . . . . 23 SER HA . 15303 1 180 . 1 1 23 23 SER HB2 H 1 4.10 0.01 . 2 . . . . 23 SER HB2 . 15303 1 181 . 1 1 23 23 SER HB3 H 1 4.04 0.01 . 2 . . . . 23 SER HB3 . 15303 1 182 . 1 1 23 23 SER C C 13 173.7 0.20 . 1 . . . . 23 SER C . 15303 1 183 . 1 1 23 23 SER CA C 13 59.8 0.20 . 1 . . . . 23 SER CA . 15303 1 184 . 1 1 23 23 SER CB C 13 64.0 0.20 . 1 . . . . 23 SER CB . 15303 1 185 . 1 1 23 23 SER N N 15 112.5 0.25 . 1 . . . . 23 SER N . 15303 1 186 . 1 1 24 24 SER H H 1 7.08 0.01 . 1 . . . . 24 SER HN . 15303 1 187 . 1 1 24 24 SER HA H 1 4.80 0.01 . 1 . . . . 24 SER HA . 15303 1 188 . 1 1 24 24 SER HB2 H 1 3.63 0.01 . 2 . . . . 24 SER HB2 . 15303 1 189 . 1 1 24 24 SER HB3 H 1 3.54 0.01 . 2 . . . . 24 SER HB3 . 15303 1 190 . 1 1 24 24 SER C C 13 172.8 0.20 . 1 . . . . 24 SER C . 15303 1 191 . 1 1 24 24 SER CA C 13 57.2 0.20 . 1 . . . . 24 SER CA . 15303 1 192 . 1 1 24 24 SER CB C 13 65.4 0.20 . 1 . . . . 24 SER CB . 15303 1 193 . 1 1 24 24 SER N N 15 115.4 0.25 . 1 . . . . 24 SER N . 15303 1 194 . 1 1 25 25 GLU H H 1 8.70 0.01 . 1 . . . . 25 GLU HN . 15303 1 195 . 1 1 25 25 GLU HA H 1 3.97 0.01 . 1 . . . . 25 GLU HA . 15303 1 196 . 1 1 25 25 GLU HB2 H 1 2.22 0.01 . 2 . . . . 25 GLU HB2 . 15303 1 197 . 1 1 25 25 GLU HB3 H 1 2.30 0.01 . 2 . . . . 25 GLU HB3 . 15303 1 198 . 1 1 25 25 GLU HG2 H 1 2.49 0.01 . 2 . . . . 25 GLU HG2 . 15303 1 199 . 1 1 25 25 GLU C C 13 175.7 0.20 . 1 . . . . 25 GLU C . 15303 1 200 . 1 1 25 25 GLU CA C 13 59.9 0.20 . 1 . . . . 25 GLU CA . 15303 1 201 . 1 1 25 25 GLU CB C 13 30.3 0.20 . 1 . . . . 25 GLU CB . 15303 1 202 . 1 1 25 25 GLU N N 15 124.5 0.25 . 1 . . . . 25 GLU N . 15303 1 203 . 1 1 26 26 VAL H H 1 7.32 0.01 . 1 . . . . 26 VAL HN . 15303 1 204 . 1 1 26 26 VAL HA H 1 5.00 0.01 . 1 . . . . 26 VAL HA . 15303 1 205 . 1 1 26 26 VAL HB H 1 1.91 0.01 . 1 . . . . 26 VAL HB . 15303 1 206 . 1 1 26 26 VAL HG11 H 1 1.18 0.01 . 2 . . . . 26 VAL HG1 . 15303 1 207 . 1 1 26 26 VAL HG12 H 1 1.18 0.01 . 2 . . . . 26 VAL HG1 . 15303 1 208 . 1 1 26 26 VAL HG13 H 1 1.18 0.01 . 2 . . . . 26 VAL HG1 . 15303 1 209 . 1 1 26 26 VAL HG21 H 1 0.89 0.01 . 2 . . . . 26 VAL HG2 . 15303 1 210 . 1 1 26 26 VAL HG22 H 1 0.89 0.01 . 2 . . . . 26 VAL HG2 . 15303 1 211 . 1 1 26 26 VAL HG23 H 1 0.89 0.01 . 2 . . . . 26 VAL HG2 . 15303 1 212 . 1 1 26 26 VAL C C 13 174.3 0.20 . 1 . . . . 26 VAL C . 15303 1 213 . 1 1 26 26 VAL CA C 13 60.5 0.20 . 1 . . . . 26 VAL CA . 15303 1 214 . 1 1 26 26 VAL CB C 13 35.7 0.20 . 1 . . . . 26 VAL CB . 15303 1 215 . 1 1 26 26 VAL N N 15 113.5 0.25 . 1 . . . . 26 VAL N . 15303 1 216 . 1 1 27 27 ALA H H 1 9.13 0.01 . 1 . . . . 27 ALA HN . 15303 1 217 . 1 1 27 27 ALA HA H 1 4.82 0.01 . 1 . . . . 27 ALA HA . 15303 1 218 . 1 1 27 27 ALA HB1 H 1 1.18 0.01 . 1 . . . . 27 ALA HB . 15303 1 219 . 1 1 27 27 ALA HB2 H 1 1.18 0.01 . 1 . . . . 27 ALA HB . 15303 1 220 . 1 1 27 27 ALA HB3 H 1 1.18 0.01 . 1 . . . . 27 ALA HB . 15303 1 221 . 1 1 27 27 ALA C C 13 175.0 0.20 . 1 . . . . 27 ALA C . 15303 1 222 . 1 1 27 27 ALA CA C 13 51.2 0.20 . 1 . . . . 27 ALA CA . 15303 1 223 . 1 1 27 27 ALA CB C 13 23.0 0.20 . 1 . . . . 27 ALA CB . 15303 1 224 . 1 1 27 27 ALA N N 15 127.2 0.25 . 1 . . . . 27 ALA N . 15303 1 225 . 1 1 28 28 VAL H H 1 7.98 0.01 . 1 . . . . 28 VAL HN . 15303 1 226 . 1 1 28 28 VAL HA H 1 5.08 0.01 . 1 . . . . 28 VAL HA . 15303 1 227 . 1 1 28 28 VAL HB H 1 1.20 0.01 . 1 . . . . 28 VAL HB . 15303 1 228 . 1 1 28 28 VAL HG11 H 1 0.85 0.01 . 2 . . . . 28 VAL HG1 . 15303 1 229 . 1 1 28 28 VAL HG12 H 1 0.85 0.01 . 2 . . . . 28 VAL HG1 . 15303 1 230 . 1 1 28 28 VAL HG13 H 1 0.85 0.01 . 2 . . . . 28 VAL HG1 . 15303 1 231 . 1 1 28 28 VAL HG21 H 1 0.55 0.01 . 2 . . . . 28 VAL HG2 . 15303 1 232 . 1 1 28 28 VAL HG22 H 1 0.55 0.01 . 2 . . . . 28 VAL HG2 . 15303 1 233 . 1 1 28 28 VAL HG23 H 1 0.55 0.01 . 2 . . . . 28 VAL HG2 . 15303 1 234 . 1 1 28 28 VAL C C 13 174.6 0.20 . 1 . . . . 28 VAL C . 15303 1 235 . 1 1 28 28 VAL CA C 13 60.8 0.20 . 1 . . . . 28 VAL CA . 15303 1 236 . 1 1 28 28 VAL CB C 13 34.3 0.20 . 1 . . . . 28 VAL CB . 15303 1 237 . 1 1 28 28 VAL N N 15 120.1 0.25 . 1 . . . . 28 VAL N . 15303 1 238 . 1 1 29 29 ILE H H 1 9.08 0.01 . 1 . . . . 29 ILE HN . 15303 1 239 . 1 1 29 29 ILE HA H 1 4.78 0.01 . 1 . . . . 29 ILE HA . 15303 1 240 . 1 1 29 29 ILE HB H 1 1.43 0.01 . 1 . . . . 29 ILE HB . 15303 1 241 . 1 1 29 29 ILE HD11 H 1 -0.45 0.01 . 1 . . . . 29 ILE HD1 . 15303 1 242 . 1 1 29 29 ILE HD12 H 1 -0.45 0.01 . 1 . . . . 29 ILE HD1 . 15303 1 243 . 1 1 29 29 ILE HD13 H 1 -0.45 0.01 . 1 . . . . 29 ILE HD1 . 15303 1 244 . 1 1 29 29 ILE HG21 H 1 0.84 0.01 . 1 . . . . 29 ILE HG2 . 15303 1 245 . 1 1 29 29 ILE HG22 H 1 0.84 0.01 . 1 . . . . 29 ILE HG2 . 15303 1 246 . 1 1 29 29 ILE HG23 H 1 0.84 0.01 . 1 . . . . 29 ILE HG2 . 15303 1 247 . 1 1 29 29 ILE C C 13 173.3 0.20 . 1 . . . . 29 ILE C . 15303 1 248 . 1 1 29 29 ILE CA C 13 60.0 0.20 . 1 . . . . 29 ILE CA . 15303 1 249 . 1 1 29 29 ILE CB C 13 40.3 0.20 . 1 . . . . 29 ILE CB . 15303 1 250 . 1 1 29 29 ILE N N 15 124.3 0.25 . 1 . . . . 29 ILE N . 15303 1 251 . 1 1 30 30 GLY H H 1 8.61 0.01 . 1 . . . . 30 GLY HN . 15303 1 252 . 1 1 30 30 GLY HA2 H 1 1.91 0.01 . 2 . . . . 30 GLY HA1 . 15303 1 253 . 1 1 30 30 GLY HA3 H 1 3.96 0.01 . 2 . . . . 30 GLY HA2 . 15303 1 254 . 1 1 30 30 GLY C C 13 169.3 0.20 . 1 . . . . 30 GLY C . 15303 1 255 . 1 1 30 30 GLY CA C 13 44.5 0.20 . 1 . . . . 30 GLY CA . 15303 1 256 . 1 1 30 30 GLY N N 15 115.8 0.25 . 1 . . . . 30 GLY N . 15303 1 257 . 1 1 31 31 PHE H H 1 8.47 0.01 . 1 . . . . 31 PHE HN . 15303 1 258 . 1 1 31 31 PHE HA H 1 4.20 0.01 . 1 . . . . 31 PHE HA . 15303 1 259 . 1 1 31 31 PHE HB2 H 1 2.06 0.01 . 2 . . . . 31 PHE HB2 . 15303 1 260 . 1 1 31 31 PHE HB3 H 1 0.53 0.01 . 2 . . . . 31 PHE HB3 . 15303 1 261 . 1 1 31 31 PHE C C 13 172.8 0.20 . 1 . . . . 31 PHE C . 15303 1 262 . 1 1 31 31 PHE CA C 13 55.0 0.20 . 1 . . . . 31 PHE CA . 15303 1 263 . 1 1 31 31 PHE CB C 13 36.5 0.20 . 1 . . . . 31 PHE CB . 15303 1 264 . 1 1 31 31 PHE N N 15 127.8 0.25 . 1 . . . . 31 PHE N . 15303 1 265 . 1 1 32 32 PHE H H 1 8.20 0.01 . 1 . . . . 32 PHE HN . 15303 1 266 . 1 1 32 32 PHE HA H 1 4.98 0.01 . 1 . . . . 32 PHE HA . 15303 1 267 . 1 1 32 32 PHE HB2 H 1 2.90 0.01 . 2 . . . . 32 PHE HB2 . 15303 1 268 . 1 1 32 32 PHE HB3 H 1 2.27 0.01 . 2 . . . . 32 PHE HB3 . 15303 1 269 . 1 1 32 32 PHE C C 13 174.4 0.20 . 1 . . . . 32 PHE C . 15303 1 270 . 1 1 32 32 PHE CA C 13 55.7 0.20 . 1 . . . . 32 PHE CA . 15303 1 271 . 1 1 32 32 PHE CB C 13 42.9 0.20 . 1 . . . . 32 PHE CB . 15303 1 272 . 1 1 32 32 PHE N N 15 116.9 0.25 . 1 . . . . 32 PHE N . 15303 1 273 . 1 1 33 33 LYS H H 1 9.42 0.01 . 1 . . . . 33 LYS HN . 15303 1 274 . 1 1 33 33 LYS HA H 1 4.02 0.01 . 1 . . . . 33 LYS HA . 15303 1 275 . 1 1 33 33 LYS HB2 H 1 1.96 0.01 . 2 . . . . 33 LYS HB2 . 15303 1 276 . 1 1 33 33 LYS HB3 H 1 1.81 0.01 . 2 . . . . 33 LYS HB3 . 15303 1 277 . 1 1 33 33 LYS HG2 H 1 1.55 0.01 . 2 . . . . 33 LYS HG2 . 15303 1 278 . 1 1 33 33 LYS HG3 H 1 1.39 0.01 . 2 . . . . 33 LYS HG3 . 15303 1 279 . 1 1 33 33 LYS C C 13 176.7 0.20 . 1 . . . . 33 LYS C . 15303 1 280 . 1 1 33 33 LYS CA C 13 58.9 0.20 . 1 . . . . 33 LYS CA . 15303 1 281 . 1 1 33 33 LYS CB C 13 31.9 0.20 . 1 . . . . 33 LYS CB . 15303 1 282 . 1 1 33 33 LYS N N 15 124.7 0.25 . 1 . . . . 33 LYS N . 15303 1 283 . 1 1 34 34 ASP H H 1 8.92 0.01 . 1 . . . . 34 ASP HN . 15303 1 284 . 1 1 34 34 ASP HA H 1 5.02 0.01 . 1 . . . . 34 ASP HA . 15303 1 285 . 1 1 34 34 ASP HB2 H 1 2.93 0.01 . 2 . . . . 34 ASP HB2 . 15303 1 286 . 1 1 34 34 ASP HB3 H 1 2.57 0.01 . 2 . . . . 34 ASP HB3 . 15303 1 287 . 1 1 34 34 ASP C C 13 177.8 0.20 . 1 . . . . 34 ASP C . 15303 1 288 . 1 1 34 34 ASP CA C 13 51.7 0.20 . 1 . . . . 34 ASP CA . 15303 1 289 . 1 1 34 34 ASP CB C 13 41.8 0.20 . 1 . . . . 34 ASP CB . 15303 1 290 . 1 1 34 34 ASP N N 15 117.3 0.25 . 1 . . . . 34 ASP N . 15303 1 291 . 1 1 35 35 VAL H H 1 8.56 0.01 . 1 . . . . 35 VAL HN . 15303 1 292 . 1 1 35 35 VAL HA H 1 3.79 0.01 . 1 . . . . 35 VAL HA . 15303 1 293 . 1 1 35 35 VAL HB H 1 2.38 0.01 . 1 . . . . 35 VAL HB . 15303 1 294 . 1 1 35 35 VAL HG11 H 1 1.03 0.01 . 2 . . . . 35 VAL HG1 . 15303 1 295 . 1 1 35 35 VAL HG12 H 1 1.03 0.01 . 2 . . . . 35 VAL HG1 . 15303 1 296 . 1 1 35 35 VAL HG13 H 1 1.03 0.01 . 2 . . . . 35 VAL HG1 . 15303 1 297 . 1 1 35 35 VAL HG21 H 1 0.98 0.01 . 2 . . . . 35 VAL HG2 . 15303 1 298 . 1 1 35 35 VAL HG22 H 1 0.98 0.01 . 2 . . . . 35 VAL HG2 . 15303 1 299 . 1 1 35 35 VAL HG23 H 1 0.98 0.01 . 2 . . . . 35 VAL HG2 . 15303 1 300 . 1 1 35 35 VAL C C 13 174.5 0.20 . 1 . . . . 35 VAL C . 15303 1 301 . 1 1 35 35 VAL CA C 13 63.9 0.20 . 1 . . . . 35 VAL CA . 15303 1 302 . 1 1 35 35 VAL CB C 13 30.5 0.20 . 1 . . . . 35 VAL CB . 15303 1 303 . 1 1 35 35 VAL N N 15 120.7 0.25 . 1 . . . . 35 VAL N . 15303 1 304 . 1 1 36 36 GLU H H 1 8.25 0.01 . 1 . . . . 36 GLU HN . 15303 1 305 . 1 1 36 36 GLU HA H 1 4.39 0.01 . 1 . . . . 36 GLU HA . 15303 1 306 . 1 1 36 36 GLU HB2 H 1 1.91 0.01 . 2 . . . . 36 GLU HB2 . 15303 1 307 . 1 1 36 36 GLU HG2 H 1 2.10 0.01 . 2 . . . . 36 GLU HG2 . 15303 1 308 . 1 1 36 36 GLU HG3 H 1 2.29 0.01 . 2 . . . . 36 GLU HG3 . 15303 1 309 . 1 1 36 36 GLU C C 13 176.6 0.20 . 1 . . . . 36 GLU C . 15303 1 310 . 1 1 36 36 GLU CA C 13 54.8 0.20 . 1 . . . . 36 GLU CA . 15303 1 311 . 1 1 36 36 GLU CB C 13 29.2 0.20 . 1 . . . . 36 GLU CB . 15303 1 312 . 1 1 36 36 GLU N N 15 117.2 0.25 . 1 . . . . 36 GLU N . 15303 1 313 . 1 1 37 37 SER H H 1 7.56 0.01 . 1 . . . . 37 SER HN . 15303 1 314 . 1 1 37 37 SER HA H 1 4.30 0.01 . 1 . . . . 37 SER HA . 15303 1 315 . 1 1 37 37 SER HB2 H 1 4.20 0.01 . 2 . . . . 37 SER HB2 . 15303 1 316 . 1 1 37 37 SER HB3 H 1 4.42 0.01 . 2 . . . . 37 SER HB3 . 15303 1 317 . 1 1 37 37 SER C C 13 174.0 0.20 . 1 . . . . 37 SER C . 15303 1 318 . 1 1 37 37 SER CA C 13 58.1 0.20 . 1 . . . . 37 SER CA . 15303 1 319 . 1 1 37 37 SER CB C 13 65.4 0.20 . 1 . . . . 37 SER CB . 15303 1 320 . 1 1 37 37 SER N N 15 116.1 0.25 . 1 . . . . 37 SER N . 15303 1 321 . 1 1 38 38 ASP H H 1 8.92 0.01 . 1 . . . . 38 ASP HN . 15303 1 322 . 1 1 38 38 ASP HA H 1 4.29 0.01 . 1 . . . . 38 ASP HA . 15303 1 323 . 1 1 38 38 ASP HB2 H 1 2.72 0.01 . 2 . . . . 38 ASP HB2 . 15303 1 324 . 1 1 38 38 ASP C C 13 179.2 0.20 . 1 . . . . 38 ASP C . 15303 1 325 . 1 1 38 38 ASP CA C 13 58.1 0.20 . 1 . . . . 38 ASP CA . 15303 1 326 . 1 1 38 38 ASP CB C 13 40.1 0.20 . 1 . . . . 38 ASP CB . 15303 1 327 . 1 1 38 38 ASP N N 15 121.4 0.25 . 1 . . . . 38 ASP N . 15303 1 328 . 1 1 39 39 SER H H 1 8.50 0.01 . 1 . . . . 39 SER HN . 15303 1 329 . 1 1 39 39 SER HA H 1 4.05 0.01 . 1 . . . . 39 SER HA . 15303 1 330 . 1 1 39 39 SER HB2 H 1 3.91 0.01 . 2 . . . . 39 SER HB2 . 15303 1 331 . 1 1 39 39 SER C C 13 174.5 0.20 . 1 . . . . 39 SER C . 15303 1 332 . 1 1 39 39 SER CA C 13 61.5 0.20 . 1 . . . . 39 SER CA . 15303 1 333 . 1 1 39 39 SER CB C 13 62.4 0.20 . 1 . . . . 39 SER CB . 15303 1 334 . 1 1 39 39 SER N N 15 114.2 0.25 . 1 . . . . 39 SER N . 15303 1 335 . 1 1 40 40 ALA H H 1 6.97 0.01 . 1 . . . . 40 ALA HN . 15303 1 336 . 1 1 40 40 ALA HA H 1 2.38 0.01 . 1 . . . . 40 ALA HA . 15303 1 337 . 1 1 40 40 ALA HB1 H 1 0.94 0.01 . 1 . . . . 40 ALA HB . 15303 1 338 . 1 1 40 40 ALA HB2 H 1 0.94 0.01 . 1 . . . . 40 ALA HB . 15303 1 339 . 1 1 40 40 ALA HB3 H 1 0.94 0.01 . 1 . . . . 40 ALA HB . 15303 1 340 . 1 1 40 40 ALA C C 13 179.6 0.20 . 1 . . . . 40 ALA C . 15303 1 341 . 1 1 40 40 ALA CA C 13 54.5 0.20 . 1 . . . . 40 ALA CA . 15303 1 342 . 1 1 40 40 ALA CB C 13 18.6 0.20 . 1 . . . . 40 ALA CB . 15303 1 343 . 1 1 40 40 ALA N N 15 125.7 0.25 . 1 . . . . 40 ALA N . 15303 1 344 . 1 1 41 41 LYS H H 1 8.04 0.01 . 1 . . . . 41 LYS HN . 15303 1 345 . 1 1 41 41 LYS HA H 1 3.83 0.01 . 1 . . . . 41 LYS HA . 15303 1 346 . 1 1 41 41 LYS HB2 H 1 1.92 0.01 . 2 . . . . 41 LYS HB2 . 15303 1 347 . 1 1 41 41 LYS HB3 H 1 1.78 0.01 . 2 . . . . 41 LYS HB3 . 15303 1 348 . 1 1 41 41 LYS HG2 H 1 1.57 0.01 . 2 . . . . 41 LYS HG2 . 15303 1 349 . 1 1 41 41 LYS HG3 H 1 1.33 0.01 . 2 . . . . 41 LYS HG3 . 15303 1 350 . 1 1 41 41 LYS C C 13 180.5 0.20 . 1 . . . . 41 LYS C . 15303 1 351 . 1 1 41 41 LYS CA C 13 60.0 0.20 . 1 . . . . 41 LYS CA . 15303 1 352 . 1 1 41 41 LYS CB C 13 31.9 0.20 . 1 . . . . 41 LYS CB . 15303 1 353 . 1 1 41 41 LYS N N 15 115.8 0.25 . 1 . . . . 41 LYS N . 15303 1 354 . 1 1 42 42 GLN H H 1 7.87 0.01 . 1 . . . . 42 GLN HN . 15303 1 355 . 1 1 42 42 GLN HA H 1 3.78 0.01 . 1 . . . . 42 GLN HA . 15303 1 356 . 1 1 42 42 GLN HB2 H 1 1.78 0.01 . 2 . . . . 42 GLN HB2 . 15303 1 357 . 1 1 42 42 GLN HB3 H 1 2.17 0.01 . 2 . . . . 42 GLN HB3 . 15303 1 358 . 1 1 42 42 GLN HG2 H 1 2.65 0.01 . 2 . . . . 42 GLN HG2 . 15303 1 359 . 1 1 42 42 GLN C C 13 177.8 0.20 . 1 . . . . 42 GLN C . 15303 1 360 . 1 1 42 42 GLN CA C 13 58.6 0.20 . 1 . . . . 42 GLN CA . 15303 1 361 . 1 1 42 42 GLN CB C 13 28.6 0.20 . 1 . . . . 42 GLN CB . 15303 1 362 . 1 1 42 42 GLN N N 15 119.1 0.25 . 1 . . . . 42 GLN N . 15303 1 363 . 1 1 43 43 PHE H H 1 7.71 0.01 . 1 . . . . 43 PHE HN . 15303 1 364 . 1 1 43 43 PHE HA H 1 3.85 0.01 . 1 . . . . 43 PHE HA . 15303 1 365 . 1 1 43 43 PHE HB2 H 1 2.74 0.01 . 2 . . . . 43 PHE HB2 . 15303 1 366 . 1 1 43 43 PHE HB3 H 1 3.28 0.01 . 2 . . . . 43 PHE HB3 . 15303 1 367 . 1 1 43 43 PHE C C 13 176.2 0.20 . 1 . . . . 43 PHE C . 15303 1 368 . 1 1 43 43 PHE CA C 13 61.3 0.20 . 1 . . . . 43 PHE CA . 15303 1 369 . 1 1 43 43 PHE CB C 13 39.0 0.20 . 1 . . . . 43 PHE CB . 15303 1 370 . 1 1 43 43 PHE N N 15 120.0 0.25 . 1 . . . . 43 PHE N . 15303 1 371 . 1 1 44 44 LEU H H 1 8.36 0.01 . 1 . . . . 44 LEU HN . 15303 1 372 . 1 1 44 44 LEU HA H 1 3.58 0.01 . 1 . . . . 44 LEU HA . 15303 1 373 . 1 1 44 44 LEU HB2 H 1 1.86 0.01 . 2 . . . . 44 LEU HB2 . 15303 1 374 . 1 1 44 44 LEU HD11 H 1 0.87 0.01 . 2 . . . . 44 LEU HD1 . 15303 1 375 . 1 1 44 44 LEU HD12 H 1 0.87 0.01 . 2 . . . . 44 LEU HD1 . 15303 1 376 . 1 1 44 44 LEU HD13 H 1 0.87 0.01 . 2 . . . . 44 LEU HD1 . 15303 1 377 . 1 1 44 44 LEU HG H 1 1.39 0.01 . 1 . . . . 44 LEU HG . 15303 1 378 . 1 1 44 44 LEU C C 13 179.4 0.20 . 1 . . . . 44 LEU C . 15303 1 379 . 1 1 44 44 LEU CA C 13 57.4 0.20 . 1 . . . . 44 LEU CA . 15303 1 380 . 1 1 44 44 LEU CB C 13 40.9 0.20 . 1 . . . . 44 LEU CB . 15303 1 381 . 1 1 44 44 LEU N N 15 119.5 0.25 . 1 . . . . 44 LEU N . 15303 1 382 . 1 1 45 45 GLN H H 1 7.66 0.01 . 1 . . . . 45 GLN HN . 15303 1 383 . 1 1 45 45 GLN HA H 1 3.90 0.01 . 1 . . . . 45 GLN HA . 15303 1 384 . 1 1 45 45 GLN HB2 H 1 1.89 0.01 . 2 . . . . 45 GLN HB2 . 15303 1 385 . 1 1 45 45 GLN HB3 H 1 2.09 0.01 . 2 . . . . 45 GLN HB3 . 15303 1 386 . 1 1 45 45 GLN HG2 H 1 2.31 0.01 . 2 . . . . 45 GLN HG2 . 15303 1 387 . 1 1 45 45 GLN HG3 H 1 2.59 0.01 . 2 . . . . 45 GLN HG3 . 15303 1 388 . 1 1 45 45 GLN C C 13 179.3 0.20 . 1 . . . . 45 GLN C . 15303 1 389 . 1 1 45 45 GLN CA C 13 58.7 0.20 . 1 . . . . 45 GLN CA . 15303 1 390 . 1 1 45 45 GLN CB C 13 28.7 0.20 . 1 . . . . 45 GLN CB . 15303 1 391 . 1 1 45 45 GLN N N 15 117.7 0.25 . 1 . . . . 45 GLN N . 15303 1 392 . 1 1 46 46 ALA H H 1 7.63 0.01 . 1 . . . . 46 ALA HN . 15303 1 393 . 1 1 46 46 ALA HA H 1 3.74 0.01 . 1 . . . . 46 ALA HA . 15303 1 394 . 1 1 46 46 ALA HB1 H 1 1.28 0.01 . 1 . . . . 46 ALA HB . 15303 1 395 . 1 1 46 46 ALA HB2 H 1 1.28 0.01 . 1 . . . . 46 ALA HB . 15303 1 396 . 1 1 46 46 ALA HB3 H 1 1.28 0.01 . 1 . . . . 46 ALA HB . 15303 1 397 . 1 1 46 46 ALA C C 13 177.1 0.20 . 1 . . . . 46 ALA C . 15303 1 398 . 1 1 46 46 ALA CA C 13 55.3 0.20 . 1 . . . . 46 ALA CA . 15303 1 399 . 1 1 46 46 ALA CB C 13 17.5 0.20 . 1 . . . . 46 ALA CB . 15303 1 400 . 1 1 46 46 ALA N N 15 123.7 0.25 . 1 . . . . 46 ALA N . 15303 1 401 . 1 1 47 47 ALA H H 1 7.33 0.01 . 1 . . . . 47 ALA HN . 15303 1 402 . 1 1 47 47 ALA HA H 1 1.79 0.01 . 1 . . . . 47 ALA HA . 15303 1 403 . 1 1 47 47 ALA HB1 H 1 0.44 0.01 . 1 . . . . 47 ALA HB . 15303 1 404 . 1 1 47 47 ALA HB2 H 1 0.44 0.01 . 1 . . . . 47 ALA HB . 15303 1 405 . 1 1 47 47 ALA HB3 H 1 0.44 0.01 . 1 . . . . 47 ALA HB . 15303 1 406 . 1 1 47 47 ALA C C 13 178.6 0.20 . 1 . . . . 47 ALA C . 15303 1 407 . 1 1 47 47 ALA CA C 13 53.2 0.20 . 1 . . . . 47 ALA CA . 15303 1 408 . 1 1 47 47 ALA CB C 13 17.7 0.20 . 1 . . . . 47 ALA CB . 15303 1 409 . 1 1 47 47 ALA N N 15 118.1 0.25 . 1 . . . . 47 ALA N . 15303 1 410 . 1 1 48 48 GLU H H 1 7.02 0.01 . 1 . . . . 48 GLU HN . 15303 1 411 . 1 1 48 48 GLU HA H 1 3.84 0.01 . 1 . . . . 48 GLU HA . 15303 1 412 . 1 1 48 48 GLU HB2 H 1 1.91 0.01 . 2 . . . . 48 GLU HB2 . 15303 1 413 . 1 1 48 48 GLU HG2 H 1 2.17 0.01 . 2 . . . . 48 GLU HG2 . 15303 1 414 . 1 1 48 48 GLU HG3 H 1 2.32 0.01 . 2 . . . . 48 GLU HG3 . 15303 1 415 . 1 1 48 48 GLU C C 13 177.1 0.20 . 1 . . . . 48 GLU C . 15303 1 416 . 1 1 48 48 GLU CA C 13 57.3 0.20 . 1 . . . . 48 GLU CA . 15303 1 417 . 1 1 48 48 GLU CB C 13 29.9 0.20 . 1 . . . . 48 GLU CB . 15303 1 418 . 1 1 48 48 GLU N N 15 112.9 0.25 . 1 . . . . 48 GLU N . 15303 1 419 . 1 1 49 49 ALA H H 1 7.25 0.01 . 1 . . . . 49 ALA HN . 15303 1 420 . 1 1 49 49 ALA HA H 1 4.25 0.01 . 1 . . . . 49 ALA HA . 15303 1 421 . 1 1 49 49 ALA HB1 H 1 1.48 0.01 . 1 . . . . 49 ALA HB . 15303 1 422 . 1 1 49 49 ALA HB2 H 1 1.48 0.01 . 1 . . . . 49 ALA HB . 15303 1 423 . 1 1 49 49 ALA HB3 H 1 1.48 0.01 . 1 . . . . 49 ALA HB . 15303 1 424 . 1 1 49 49 ALA C C 13 176.9 0.20 . 1 . . . . 49 ALA C . 15303 1 425 . 1 1 49 49 ALA CA C 13 52.6 0.20 . 1 . . . . 49 ALA CA . 15303 1 426 . 1 1 49 49 ALA CB C 13 20.1 0.20 . 1 . . . . 49 ALA CB . 15303 1 427 . 1 1 49 49 ALA N N 15 119.8 0.25 . 1 . . . . 49 ALA N . 15303 1 428 . 1 1 50 50 ILE H H 1 7.03 0.01 . 1 . . . . 50 ILE HN . 15303 1 429 . 1 1 50 50 ILE HA H 1 4.37 0.01 . 1 . . . . 50 ILE HA . 15303 1 430 . 1 1 50 50 ILE HB H 1 1.96 0.01 . 1 . . . . 50 ILE HB . 15303 1 431 . 1 1 50 50 ILE HD11 H 1 0.95 0.01 . 1 . . . . 50 ILE HD1 . 15303 1 432 . 1 1 50 50 ILE HD12 H 1 0.95 0.01 . 1 . . . . 50 ILE HD1 . 15303 1 433 . 1 1 50 50 ILE HD13 H 1 0.95 0.01 . 1 . . . . 50 ILE HD1 . 15303 1 434 . 1 1 50 50 ILE HG12 H 1 1.49 0.01 . 2 . . . . 50 ILE HG12 . 15303 1 435 . 1 1 50 50 ILE HG13 H 1 1.26 0.01 . 2 . . . . 50 ILE HG13 . 15303 1 436 . 1 1 50 50 ILE HG21 H 1 1.19 0.01 . 1 . . . . 50 ILE HG2 . 15303 1 437 . 1 1 50 50 ILE HG22 H 1 1.19 0.01 . 1 . . . . 50 ILE HG2 . 15303 1 438 . 1 1 50 50 ILE HG23 H 1 1.19 0.01 . 1 . . . . 50 ILE HG2 . 15303 1 439 . 1 1 50 50 ILE C C 13 174.3 0.20 . 1 . . . . 50 ILE C . 15303 1 440 . 1 1 50 50 ILE CA C 13 59.7 0.20 . 1 . . . . 50 ILE CA . 15303 1 441 . 1 1 50 50 ILE CB C 13 39.4 0.20 . 1 . . . . 50 ILE CB . 15303 1 442 . 1 1 50 50 ILE N N 15 119.3 0.25 . 1 . . . . 50 ILE N . 15303 1 443 . 1 1 51 51 ASP H H 1 8.39 0.01 . 1 . . . . 51 ASP HN . 15303 1 444 . 1 1 51 51 ASP HA H 1 4.83 0.01 . 1 . . . . 51 ASP HA . 15303 1 445 . 1 1 51 51 ASP HB2 H 1 2.67 0.01 . 2 . . . . 51 ASP HB2 . 15303 1 446 . 1 1 51 51 ASP C C 13 177.5 0.20 . 1 . . . . 51 ASP C . 15303 1 447 . 1 1 51 51 ASP CA C 13 54.3 0.20 . 1 . . . . 51 ASP CA . 15303 1 448 . 1 1 51 51 ASP CB C 13 42.2 0.20 . 1 . . . . 51 ASP CB . 15303 1 449 . 1 1 51 51 ASP N N 15 123.2 0.25 . 1 . . . . 51 ASP N . 15303 1 450 . 1 1 52 52 ASP H H 1 8.53 0.01 . 1 . . . . 52 ASP HN . 15303 1 451 . 1 1 52 52 ASP HA H 1 4.57 0.01 . 1 . . . . 52 ASP HA . 15303 1 452 . 1 1 52 52 ASP HB2 H 1 2.65 0.01 . 2 . . . . 52 ASP HB2 . 15303 1 453 . 1 1 52 52 ASP HB3 H 1 2.88 0.01 . 2 . . . . 52 ASP HB3 . 15303 1 454 . 1 1 52 52 ASP C C 13 175.0 0.20 . 1 . . . . 52 ASP C . 15303 1 455 . 1 1 52 52 ASP CA C 13 54.6 0.20 . 1 . . . . 52 ASP CA . 15303 1 456 . 1 1 52 52 ASP CB C 13 40.2 0.20 . 1 . . . . 52 ASP CB . 15303 1 457 . 1 1 52 52 ASP N N 15 116.0 0.25 . 1 . . . . 52 ASP N . 15303 1 458 . 1 1 53 53 ILE H H 1 7.15 0.01 . 1 . . . . 53 ILE HN . 15303 1 459 . 1 1 53 53 ILE HA H 1 4.57 0.01 . 1 . . . . 53 ILE HA . 15303 1 460 . 1 1 53 53 ILE HB H 1 1.63 0.01 . 1 . . . . 53 ILE HB . 15303 1 461 . 1 1 53 53 ILE HD11 H 1 0.60 0.01 . 1 . . . . 53 ILE HD1 . 15303 1 462 . 1 1 53 53 ILE HD12 H 1 0.60 0.01 . 1 . . . . 53 ILE HD1 . 15303 1 463 . 1 1 53 53 ILE HD13 H 1 0.60 0.01 . 1 . . . . 53 ILE HD1 . 15303 1 464 . 1 1 53 53 ILE HG12 H 1 1.42 0.01 . 2 . . . . 53 ILE HG12 . 15303 1 465 . 1 1 53 53 ILE HG13 H 1 1.17 0.01 . 2 . . . . 53 ILE HG13 . 15303 1 466 . 1 1 53 53 ILE HG21 H 1 0.97 0.01 . 1 . . . . 53 ILE HG2 . 15303 1 467 . 1 1 53 53 ILE HG22 H 1 0.97 0.01 . 1 . . . . 53 ILE HG2 . 15303 1 468 . 1 1 53 53 ILE HG23 H 1 0.97 0.01 . 1 . . . . 53 ILE HG2 . 15303 1 469 . 1 1 53 53 ILE CA C 13 57.7 0.20 . 1 . . . . 53 ILE CA . 15303 1 470 . 1 1 53 53 ILE CB C 13 42.0 0.20 . 1 . . . . 53 ILE CB . 15303 1 471 . 1 1 53 53 ILE N N 15 119.3 0.25 . 1 . . . . 53 ILE N . 15303 1 472 . 1 1 54 54 PRO C C 13 175.1 0.20 . 1 . . . . 54 PRO C . 15303 1 473 . 1 1 54 54 PRO CA C 13 62.7 0.20 . 1 . . . . 54 PRO CA . 15303 1 474 . 1 1 54 54 PRO CB C 13 32.5 0.20 . 1 . . . . 54 PRO CB . 15303 1 475 . 1 1 55 55 PHE H H 1 8.78 0.01 . 1 . . . . 55 PHE HN . 15303 1 476 . 1 1 55 55 PHE HA H 1 5.84 0.01 . 1 . . . . 55 PHE HA . 15303 1 477 . 1 1 55 55 PHE HB2 H 1 2.60 0.01 . 2 . . . . 55 PHE HB2 . 15303 1 478 . 1 1 55 55 PHE HB3 H 1 3.23 0.01 . 2 . . . . 55 PHE HB3 . 15303 1 479 . 1 1 55 55 PHE C C 13 176.9 0.20 . 1 . . . . 55 PHE C . 15303 1 480 . 1 1 55 55 PHE CA C 13 55.6 0.20 . 1 . . . . 55 PHE CA . 15303 1 481 . 1 1 55 55 PHE CB C 13 42.0 0.20 . 1 . . . . 55 PHE CB . 15303 1 482 . 1 1 55 55 PHE N N 15 119.9 0.25 . 1 . . . . 55 PHE N . 15303 1 483 . 1 1 56 56 GLY H H 1 9.51 0.01 . 1 . . . . 56 GLY HN . 15303 1 484 . 1 1 56 56 GLY HA2 H 1 3.35 0.01 . 2 . . . . 56 GLY HA1 . 15303 1 485 . 1 1 56 56 GLY HA3 H 1 5.62 0.01 . 2 . . . . 56 GLY HA2 . 15303 1 486 . 1 1 56 56 GLY C C 13 170.8 0.20 . 1 . . . . 56 GLY C . 15303 1 487 . 1 1 56 56 GLY CA C 13 43.4 0.20 . 1 . . . . 56 GLY CA . 15303 1 488 . 1 1 56 56 GLY N N 15 109.0 0.25 . 1 . . . . 56 GLY N . 15303 1 489 . 1 1 57 57 ILE H H 1 8.93 0.01 . 1 . . . . 57 ILE HN . 15303 1 490 . 1 1 57 57 ILE HA H 1 5.57 0.01 . 1 . . . . 57 ILE HA . 15303 1 491 . 1 1 57 57 ILE HB H 1 1.70 0.01 . 1 . . . . 57 ILE HB . 15303 1 492 . 1 1 57 57 ILE HD11 H 1 0.88 0.01 . 1 . . . . 57 ILE HD1 . 15303 1 493 . 1 1 57 57 ILE HD12 H 1 0.88 0.01 . 1 . . . . 57 ILE HD1 . 15303 1 494 . 1 1 57 57 ILE HD13 H 1 0.88 0.01 . 1 . . . . 57 ILE HD1 . 15303 1 495 . 1 1 57 57 ILE HG12 H 1 1.16 0.01 . 2 . . . . 57 ILE HG12 . 15303 1 496 . 1 1 57 57 ILE HG21 H 1 1.02 0.01 . 1 . . . . 57 ILE HG2 . 15303 1 497 . 1 1 57 57 ILE HG22 H 1 1.02 0.01 . 1 . . . . 57 ILE HG2 . 15303 1 498 . 1 1 57 57 ILE HG23 H 1 1.02 0.01 . 1 . . . . 57 ILE HG2 . 15303 1 499 . 1 1 57 57 ILE C C 13 172.0 0.20 . 1 . . . . 57 ILE C . 15303 1 500 . 1 1 57 57 ILE CA C 13 58.4 0.20 . 1 . . . . 57 ILE CA . 15303 1 501 . 1 1 57 57 ILE CB C 13 42.9 0.20 . 1 . . . . 57 ILE CB . 15303 1 502 . 1 1 57 57 ILE N N 15 120.8 0.25 . 1 . . . . 57 ILE N . 15303 1 503 . 1 1 58 58 THR H H 1 8.66 0.01 . 1 . . . . 58 THR HN . 15303 1 504 . 1 1 58 58 THR HA H 1 4.96 0.01 . 1 . . . . 58 THR HA . 15303 1 505 . 1 1 58 58 THR HB H 1 3.90 0.01 . 1 . . . . 58 THR HB . 15303 1 506 . 1 1 58 58 THR HG21 H 1 0.71 0.01 . 1 . . . . 58 THR HG2 . 15303 1 507 . 1 1 58 58 THR HG22 H 1 0.71 0.01 . 1 . . . . 58 THR HG2 . 15303 1 508 . 1 1 58 58 THR HG23 H 1 0.71 0.01 . 1 . . . . 58 THR HG2 . 15303 1 509 . 1 1 58 58 THR C C 13 170.0 0.20 . 1 . . . . 58 THR C . 15303 1 510 . 1 1 58 58 THR CA C 13 60.1 0.20 . 1 . . . . 58 THR CA . 15303 1 511 . 1 1 58 58 THR CB C 13 72.1 0.20 . 1 . . . . 58 THR CB . 15303 1 512 . 1 1 58 58 THR N N 15 121.2 0.25 . 1 . . . . 58 THR N . 15303 1 513 . 1 1 59 59 SER H H 1 8.71 0.01 . 1 . . . . 59 SER HN . 15303 1 514 . 1 1 59 59 SER HA H 1 5.20 0.01 . 1 . . . . 59 SER HA . 15303 1 515 . 1 1 59 59 SER HB2 H 1 4.04 0.01 . 2 . . . . 59 SER HB2 . 15303 1 516 . 1 1 59 59 SER HB3 H 1 4.21 0.01 . 2 . . . . 59 SER HB3 . 15303 1 517 . 1 1 59 59 SER C C 13 173.9 0.20 . 1 . . . . 59 SER C . 15303 1 518 . 1 1 59 59 SER CA C 13 56.7 0.20 . 1 . . . . 59 SER CA . 15303 1 519 . 1 1 59 59 SER CB C 13 65.7 0.20 . 1 . . . . 59 SER CB . 15303 1 520 . 1 1 59 59 SER N N 15 119.9 0.25 . 1 . . . . 59 SER N . 15303 1 521 . 1 1 60 60 ASN H H 1 8.03 0.01 . 1 . . . . 60 ASN HN . 15303 1 522 . 1 1 60 60 ASN HA H 1 4.79 0.01 . 1 . . . . 60 ASN HA . 15303 1 523 . 1 1 60 60 ASN HB2 H 1 2.85 0.01 . 2 . . . . 60 ASN HB2 . 15303 1 524 . 1 1 60 60 ASN CA C 13 53.2 0.20 . 1 . . . . 60 ASN CA . 15303 1 525 . 1 1 60 60 ASN CB C 13 39.5 0.20 . 1 . . . . 60 ASN CB . 15303 1 526 . 1 1 60 60 ASN N N 15 122.2 0.25 . 1 . . . . 60 ASN N . 15303 1 527 . 1 1 61 61 SER HB2 H 1 3.84 0.01 . 2 . . . . 61 SER HB2 . 15303 1 528 . 1 1 61 61 SER C C 13 175.9 0.20 . 1 . . . . 61 SER C . 15303 1 529 . 1 1 61 61 SER CA C 13 62.5 0.20 . 1 . . . . 61 SER CA . 15303 1 530 . 1 1 61 61 SER CB C 13 62.5 0.20 . 1 . . . . 61 SER CB . 15303 1 531 . 1 1 62 62 ASP H H 1 8.63 0.01 . 1 . . . . 62 ASP HN . 15303 1 532 . 1 1 62 62 ASP HA H 1 4.53 0.01 . 1 . . . . 62 ASP HA . 15303 1 533 . 1 1 62 62 ASP HB2 H 1 2.80 0.01 . 2 . . . . 62 ASP HB2 . 15303 1 534 . 1 1 62 62 ASP HB3 H 1 2.71 0.01 . 2 . . . . 62 ASP HB3 . 15303 1 535 . 1 1 62 62 ASP C C 13 179.0 0.20 . 1 . . . . 62 ASP C . 15303 1 536 . 1 1 62 62 ASP CA C 13 57.4 0.20 . 1 . . . . 62 ASP CA . 15303 1 537 . 1 1 62 62 ASP CB C 13 40.0 0.20 . 1 . . . . 62 ASP CB . 15303 1 538 . 1 1 62 62 ASP N N 15 122.2 0.25 . 1 . . . . 62 ASP N . 15303 1 539 . 1 1 63 63 VAL H H 1 8.03 0.01 . 1 . . . . 63 VAL HN . 15303 1 540 . 1 1 63 63 VAL HA H 1 3.75 0.01 . 1 . . . . 63 VAL HA . 15303 1 541 . 1 1 63 63 VAL HB H 1 2.65 0.01 . 1 . . . . 63 VAL HB . 15303 1 542 . 1 1 63 63 VAL HG11 H 1 1.18 0.01 . 2 . . . . 63 VAL HG1 . 15303 1 543 . 1 1 63 63 VAL HG12 H 1 1.18 0.01 . 2 . . . . 63 VAL HG1 . 15303 1 544 . 1 1 63 63 VAL HG13 H 1 1.18 0.01 . 2 . . . . 63 VAL HG1 . 15303 1 545 . 1 1 63 63 VAL HG21 H 1 0.77 0.01 . 2 . . . . 63 VAL HG2 . 15303 1 546 . 1 1 63 63 VAL HG22 H 1 0.77 0.01 . 2 . . . . 63 VAL HG2 . 15303 1 547 . 1 1 63 63 VAL HG23 H 1 0.77 0.01 . 2 . . . . 63 VAL HG2 . 15303 1 548 . 1 1 63 63 VAL C C 13 177.9 0.20 . 1 . . . . 63 VAL C . 15303 1 549 . 1 1 63 63 VAL CA C 13 65.8 0.20 . 1 . . . . 63 VAL CA . 15303 1 550 . 1 1 63 63 VAL CB C 13 30.7 0.20 . 1 . . . . 63 VAL CB . 15303 1 551 . 1 1 63 63 VAL N N 15 122.4 0.25 . 1 . . . . 63 VAL N . 15303 1 552 . 1 1 64 64 PHE H H 1 7.98 0.01 . 1 . . . . 64 PHE HN . 15303 1 553 . 1 1 64 64 PHE HA H 1 4.20 0.01 . 1 . . . . 64 PHE HA . 15303 1 554 . 1 1 64 64 PHE HB2 H 1 3.54 0.01 . 2 . . . . 64 PHE HB2 . 15303 1 555 . 1 1 64 64 PHE HB3 H 1 3.12 0.01 . 2 . . . . 64 PHE HB3 . 15303 1 556 . 1 1 64 64 PHE C C 13 178.8 0.20 . 1 . . . . 64 PHE C . 15303 1 557 . 1 1 64 64 PHE CA C 13 61.7 0.20 . 1 . . . . 64 PHE CA . 15303 1 558 . 1 1 64 64 PHE CB C 13 37.5 0.20 . 1 . . . . 64 PHE CB . 15303 1 559 . 1 1 64 64 PHE N N 15 120.1 0.25 . 1 . . . . 64 PHE N . 15303 1 560 . 1 1 65 65 SER H H 1 8.09 0.01 . 1 . . . . 65 SER HN . 15303 1 561 . 1 1 65 65 SER HA H 1 4.21 0.01 . 1 . . . . 65 SER HA . 15303 1 562 . 1 1 65 65 SER HB2 H 1 4.00 0.01 . 2 . . . . 65 SER HB2 . 15303 1 563 . 1 1 65 65 SER C C 13 177.8 0.20 . 1 . . . . 65 SER C . 15303 1 564 . 1 1 65 65 SER CA C 13 61.6 0.20 . 1 . . . . 65 SER CA . 15303 1 565 . 1 1 65 65 SER CB C 13 62.3 0.20 . 1 . . . . 65 SER CB . 15303 1 566 . 1 1 65 65 SER N N 15 112.1 0.25 . 1 . . . . 65 SER N . 15303 1 567 . 1 1 66 66 LYS H H 1 7.65 0.01 . 1 . . . . 66 LYS HN . 15303 1 568 . 1 1 66 66 LYS HA H 1 3.87 0.01 . 1 . . . . 66 LYS HA . 15303 1 569 . 1 1 66 66 LYS HB2 H 1 1.88 0.01 . 2 . . . . 66 LYS HB2 . 15303 1 570 . 1 1 66 66 LYS HG2 H 1 1.18 0.01 . 2 . . . . 66 LYS HG2 . 15303 1 571 . 1 1 66 66 LYS HG3 H 1 0.19 0.01 . 2 . . . . 66 LYS HG3 . 15303 1 572 . 1 1 66 66 LYS C C 13 176.7 0.20 . 1 . . . . 66 LYS C . 15303 1 573 . 1 1 66 66 LYS CA C 13 58.9 0.20 . 1 . . . . 66 LYS CA . 15303 1 574 . 1 1 66 66 LYS CB C 13 32.7 0.20 . 1 . . . . 66 LYS CB . 15303 1 575 . 1 1 66 66 LYS N N 15 124.1 0.25 . 1 . . . . 66 LYS N . 15303 1 576 . 1 1 67 67 TYR H H 1 7.04 0.01 . 1 . . . . 67 TYR HN . 15303 1 577 . 1 1 67 67 TYR HA H 1 4.64 0.01 . 1 . . . . 67 TYR HA . 15303 1 578 . 1 1 67 67 TYR HB2 H 1 3.26 0.01 . 2 . . . . 67 TYR HB2 . 15303 1 579 . 1 1 67 67 TYR HB3 H 1 2.36 0.01 . 2 . . . . 67 TYR HB3 . 15303 1 580 . 1 1 67 67 TYR C C 13 173.6 0.20 . 1 . . . . 67 TYR C . 15303 1 581 . 1 1 67 67 TYR CA C 13 58.4 0.20 . 1 . . . . 67 TYR CA . 15303 1 582 . 1 1 67 67 TYR CB C 13 37.7 0.20 . 1 . . . . 67 TYR CB . 15303 1 583 . 1 1 67 67 TYR N N 15 113.8 0.25 . 1 . . . . 67 TYR N . 15303 1 584 . 1 1 68 68 GLN H H 1 7.85 0.01 . 1 . . . . 68 GLN HN . 15303 1 585 . 1 1 68 68 GLN HA H 1 3.83 0.01 . 1 . . . . 68 GLN HA . 15303 1 586 . 1 1 68 68 GLN HB2 H 1 2.17 0.01 . 2 . . . . 68 GLN HB2 . 15303 1 587 . 1 1 68 68 GLN HG2 H 1 2.34 0.01 . 2 . . . . 68 GLN HG2 . 15303 1 588 . 1 1 68 68 GLN C C 13 174.7 0.20 . 1 . . . . 68 GLN C . 15303 1 589 . 1 1 68 68 GLN CA C 13 57.4 0.20 . 1 . . . . 68 GLN CA . 15303 1 590 . 1 1 68 68 GLN CB C 13 25.0 0.20 . 1 . . . . 68 GLN CB . 15303 1 591 . 1 1 68 68 GLN N N 15 113.7 0.25 . 1 . . . . 68 GLN N . 15303 1 592 . 1 1 69 69 LEU H H 1 8.07 0.01 . 1 . . . . 69 LEU HN . 15303 1 593 . 1 1 69 69 LEU HA H 1 4.53 0.01 . 1 . . . . 69 LEU HA . 15303 1 594 . 1 1 69 69 LEU HB2 H 1 1.54 0.01 . 2 . . . . 69 LEU HB2 . 15303 1 595 . 1 1 69 69 LEU HD11 H 1 0.08 0.01 . 2 . . . . 69 LEU HD1 . 15303 1 596 . 1 1 69 69 LEU HD12 H 1 0.08 0.01 . 2 . . . . 69 LEU HD1 . 15303 1 597 . 1 1 69 69 LEU HD13 H 1 0.08 0.01 . 2 . . . . 69 LEU HD1 . 15303 1 598 . 1 1 69 69 LEU HD21 H 1 -0.18 0.01 . 2 . . . . 69 LEU HD2 . 15303 1 599 . 1 1 69 69 LEU HD22 H 1 -0.18 0.01 . 2 . . . . 69 LEU HD2 . 15303 1 600 . 1 1 69 69 LEU HD23 H 1 -0.18 0.01 . 2 . . . . 69 LEU HD2 . 15303 1 601 . 1 1 69 69 LEU HG H 1 0.98 0.01 . 1 . . . . 69 LEU HG . 15303 1 602 . 1 1 69 69 LEU C C 13 176.8 0.20 . 1 . . . . 69 LEU C . 15303 1 603 . 1 1 69 69 LEU CA C 13 54.9 0.20 . 1 . . . . 69 LEU CA . 15303 1 604 . 1 1 69 69 LEU CB C 13 43.2 0.20 . 1 . . . . 69 LEU CB . 15303 1 605 . 1 1 69 69 LEU N N 15 120.8 0.25 . 1 . . . . 69 LEU N . 15303 1 606 . 1 1 70 70 ASP H H 1 8.58 0.01 . 1 . . . . 70 ASP HN . 15303 1 607 . 1 1 70 70 ASP HA H 1 4.65 0.01 . 1 . . . . 70 ASP HA . 15303 1 608 . 1 1 70 70 ASP HB2 H 1 2.72 0.01 . 2 . . . . 70 ASP HB2 . 15303 1 609 . 1 1 70 70 ASP HB3 H 1 2.54 0.01 . 2 . . . . 70 ASP HB3 . 15303 1 610 . 1 1 70 70 ASP C C 13 174.8 0.20 . 1 . . . . 70 ASP C . 15303 1 611 . 1 1 70 70 ASP CA C 13 53.2 0.20 . 1 . . . . 70 ASP CA . 15303 1 612 . 1 1 70 70 ASP CB C 13 41.6 0.20 . 1 . . . . 70 ASP CB . 15303 1 613 . 1 1 70 70 ASP N N 15 120.4 0.25 . 1 . . . . 70 ASP N . 15303 1 614 . 1 1 71 71 LYS H H 1 7.72 0.01 . 1 . . . . 71 LYS HN . 15303 1 615 . 1 1 71 71 LYS HA H 1 4.55 0.01 . 1 . . . . 71 LYS HA . 15303 1 616 . 1 1 71 71 LYS HB2 H 1 2.04 0.01 . 2 . . . . 71 LYS HB2 . 15303 1 617 . 1 1 71 71 LYS HB3 H 1 1.81 0.01 . 2 . . . . 71 LYS HB3 . 15303 1 618 . 1 1 71 71 LYS HG2 H 1 1.39 0.01 . 2 . . . . 71 LYS HG2 . 15303 1 619 . 1 1 71 71 LYS C C 13 173.1 0.20 . 1 . . . . 71 LYS C . 15303 1 620 . 1 1 71 71 LYS CA C 13 54.3 0.20 . 1 . . . . 71 LYS CA . 15303 1 621 . 1 1 71 71 LYS CB C 13 34.1 0.20 . 1 . . . . 71 LYS CB . 15303 1 622 . 1 1 71 71 LYS N N 15 117.3 0.25 . 1 . . . . 71 LYS N . 15303 1 623 . 1 1 72 72 ASP H H 1 7.78 0.01 . 1 . . . . 72 ASP HN . 15303 1 624 . 1 1 72 72 ASP HA H 1 4.65 0.01 . 1 . . . . 72 ASP HA . 15303 1 625 . 1 1 72 72 ASP HB2 H 1 2.61 0.01 . 2 . . . . 72 ASP HB2 . 15303 1 626 . 1 1 72 72 ASP HB3 H 1 2.79 0.01 . 2 . . . . 72 ASP HB3 . 15303 1 627 . 1 1 72 72 ASP C C 13 177.6 0.20 . 1 . . . . 72 ASP C . 15303 1 628 . 1 1 72 72 ASP CA C 13 54.5 0.20 . 1 . . . . 72 ASP CA . 15303 1 629 . 1 1 72 72 ASP CB C 13 41.5 0.20 . 1 . . . . 72 ASP CB . 15303 1 630 . 1 1 72 72 ASP N N 15 116.9 0.25 . 1 . . . . 72 ASP N . 15303 1 631 . 1 1 73 73 GLY H H 1 8.66 0.01 . 1 . . . . 73 GLY HN . 15303 1 632 . 1 1 73 73 GLY HA2 H 1 3.89 0.01 . 2 . . . . 73 GLY HA1 . 15303 1 633 . 1 1 73 73 GLY C C 13 169.7 0.20 . 1 . . . . 73 GLY C . 15303 1 634 . 1 1 73 73 GLY CA C 13 45.5 0.20 . 1 . . . . 73 GLY CA . 15303 1 635 . 1 1 73 73 GLY N N 15 107.4 0.25 . 1 . . . . 73 GLY N . 15303 1 636 . 1 1 74 74 VAL H H 1 8.49 0.01 . 1 . . . . 74 VAL HN . 15303 1 637 . 1 1 74 74 VAL HA H 1 4.84 0.01 . 1 . . . . 74 VAL HA . 15303 1 638 . 1 1 74 74 VAL HB H 1 1.60 0.01 . 1 . . . . 74 VAL HB . 15303 1 639 . 1 1 74 74 VAL HG11 H 1 0.89 0.01 . 2 . . . . 74 VAL HG1 . 15303 1 640 . 1 1 74 74 VAL HG12 H 1 0.89 0.01 . 2 . . . . 74 VAL HG1 . 15303 1 641 . 1 1 74 74 VAL HG13 H 1 0.89 0.01 . 2 . . . . 74 VAL HG1 . 15303 1 642 . 1 1 74 74 VAL C C 13 173.5 0.20 . 1 . . . . 74 VAL C . 15303 1 643 . 1 1 74 74 VAL CA C 13 61.3 0.20 . 1 . . . . 74 VAL CA . 15303 1 644 . 1 1 74 74 VAL CB C 13 35.5 0.20 . 1 . . . . 74 VAL CB . 15303 1 645 . 1 1 74 74 VAL N N 15 117.9 0.25 . 1 . . . . 74 VAL N . 15303 1 646 . 1 1 75 75 VAL H H 1 8.93 0.01 . 1 . . . . 75 VAL HN . 15303 1 647 . 1 1 75 75 VAL HA H 1 4.58 0.01 . 1 . . . . 75 VAL HA . 15303 1 648 . 1 1 75 75 VAL HB H 1 1.71 0.01 . 1 . . . . 75 VAL HB . 15303 1 649 . 1 1 75 75 VAL HG11 H 1 0.71 0.01 . 2 . . . . 75 VAL HG1 . 15303 1 650 . 1 1 75 75 VAL HG12 H 1 0.71 0.01 . 2 . . . . 75 VAL HG1 . 15303 1 651 . 1 1 75 75 VAL HG13 H 1 0.71 0.01 . 2 . . . . 75 VAL HG1 . 15303 1 652 . 1 1 75 75 VAL HG21 H 1 -0.03 0.01 . 2 . . . . 75 VAL HG2 . 15303 1 653 . 1 1 75 75 VAL HG22 H 1 -0.03 0.01 . 2 . . . . 75 VAL HG2 . 15303 1 654 . 1 1 75 75 VAL HG23 H 1 -0.03 0.01 . 2 . . . . 75 VAL HG2 . 15303 1 655 . 1 1 75 75 VAL C C 13 172.7 0.20 . 1 . . . . 75 VAL C . 15303 1 656 . 1 1 75 75 VAL CA C 13 61.1 0.20 . 1 . . . . 75 VAL CA . 15303 1 657 . 1 1 75 75 VAL CB C 13 35.6 0.20 . 1 . . . . 75 VAL CB . 15303 1 658 . 1 1 75 75 VAL N N 15 126.9 0.25 . 1 . . . . 75 VAL N . 15303 1 659 . 1 1 76 76 LEU H H 1 8.69 0.01 . 1 . . . . 76 LEU HN . 15303 1 660 . 1 1 76 76 LEU HA H 1 4.98 0.01 . 1 . . . . 76 LEU HA . 15303 1 661 . 1 1 76 76 LEU HB2 H 1 1.60 0.01 . 2 . . . . 76 LEU HB2 . 15303 1 662 . 1 1 76 76 LEU HD11 H 1 0.52 0.01 . 2 . . . . 76 LEU HD1 . 15303 1 663 . 1 1 76 76 LEU HD12 H 1 0.52 0.01 . 2 . . . . 76 LEU HD1 . 15303 1 664 . 1 1 76 76 LEU HD13 H 1 0.52 0.01 . 2 . . . . 76 LEU HD1 . 15303 1 665 . 1 1 76 76 LEU HG H 1 1.45 0.01 . 1 . . . . 76 LEU HG . 15303 1 666 . 1 1 76 76 LEU C C 13 173.4 0.20 . 1 . . . . 76 LEU C . 15303 1 667 . 1 1 76 76 LEU CA C 13 54.2 0.20 . 1 . . . . 76 LEU CA . 15303 1 668 . 1 1 76 76 LEU CB C 13 46.0 0.20 . 1 . . . . 76 LEU CB . 15303 1 669 . 1 1 76 76 LEU N N 15 128.0 0.25 . 1 . . . . 76 LEU N . 15303 1 670 . 1 1 77 77 PHE H H 1 9.60 0.01 . 1 . . . . 77 PHE HN . 15303 1 671 . 1 1 77 77 PHE HA H 1 4.93 0.01 . 1 . . . . 77 PHE HA . 15303 1 672 . 1 1 77 77 PHE HB2 H 1 3.10 0.01 . 2 . . . . 77 PHE HB2 . 15303 1 673 . 1 1 77 77 PHE HB3 H 1 2.65 0.01 . 2 . . . . 77 PHE HB3 . 15303 1 674 . 1 1 77 77 PHE C C 13 173.8 0.20 . 1 . . . . 77 PHE C . 15303 1 675 . 1 1 77 77 PHE CA C 13 56.8 0.20 . 1 . . . . 77 PHE CA . 15303 1 676 . 1 1 77 77 PHE CB C 13 42.1 0.20 . 1 . . . . 77 PHE CB . 15303 1 677 . 1 1 77 77 PHE N N 15 126.5 0.25 . 1 . . . . 77 PHE N . 15303 1 678 . 1 1 78 78 LYS H H 1 8.41 0.01 . 1 . . . . 78 LYS HN . 15303 1 679 . 1 1 78 78 LYS HA H 1 5.41 0.01 . 1 . . . . 78 LYS HA . 15303 1 680 . 1 1 78 78 LYS HB2 H 1 1.32 0.01 . 2 . . . . 78 LYS HB2 . 15303 1 681 . 1 1 78 78 LYS HB3 H 1 1.18 0.01 . 2 . . . . 78 LYS HB3 . 15303 1 682 . 1 1 78 78 LYS HG2 H 1 1.00 0.01 . 2 . . . . 78 LYS HG2 . 15303 1 683 . 1 1 78 78 LYS HG3 H 1 0.65 0.01 . 2 . . . . 78 LYS HG3 . 15303 1 684 . 1 1 78 78 LYS C C 13 176.6 0.20 . 1 . . . . 78 LYS C . 15303 1 685 . 1 1 78 78 LYS CA C 13 53.5 0.20 . 1 . . . . 78 LYS CA . 15303 1 686 . 1 1 78 78 LYS CB C 13 34.6 0.20 . 1 . . . . 78 LYS CB . 15303 1 687 . 1 1 78 78 LYS N N 15 115.8 0.25 . 1 . . . . 78 LYS N . 15303 1 688 . 1 1 79 79 LYS H H 1 8.01 0.01 . 1 . . . . 79 LYS HN . 15303 1 689 . 1 1 79 79 LYS HA H 1 4.37 0.01 . 1 . . . . 79 LYS HA . 15303 1 690 . 1 1 79 79 LYS HB2 H 1 2.24 0.01 . 2 . . . . 79 LYS HB2 . 15303 1 691 . 1 1 79 79 LYS HB3 H 1 1.76 0.01 . 2 . . . . 79 LYS HB3 . 15303 1 692 . 1 1 79 79 LYS HG2 H 1 1.48 0.01 . 2 . . . . 79 LYS HG2 . 15303 1 693 . 1 1 79 79 LYS C C 13 175.0 0.20 . 1 . . . . 79 LYS C . 15303 1 694 . 1 1 79 79 LYS CA C 13 56.0 0.20 . 1 . . . . 79 LYS CA . 15303 1 695 . 1 1 79 79 LYS CB C 13 31.9 0.20 . 1 . . . . 79 LYS CB . 15303 1 696 . 1 1 79 79 LYS N N 15 121.4 0.25 . 1 . . . . 79 LYS N . 15303 1 697 . 1 1 80 80 PHE H H 1 6.62 0.01 . 1 . . . . 80 PHE HN . 15303 1 698 . 1 1 80 80 PHE HA H 1 4.88 0.01 . 1 . . . . 80 PHE HA . 15303 1 699 . 1 1 80 80 PHE HB2 H 1 3.37 0.01 . 2 . . . . 80 PHE HB2 . 15303 1 700 . 1 1 80 80 PHE C C 13 174.0 0.20 . 1 . . . . 80 PHE C . 15303 1 701 . 1 1 80 80 PHE CA C 13 54.4 0.20 . 1 . . . . 80 PHE CA . 15303 1 702 . 1 1 80 80 PHE CB C 13 40.4 0.20 . 1 . . . . 80 PHE CB . 15303 1 703 . 1 1 80 80 PHE N N 15 113.5 0.25 . 1 . . . . 80 PHE N . 15303 1 704 . 1 1 81 81 ASP H H 1 8.98 0.01 . 1 . . . . 81 ASP HN . 15303 1 705 . 1 1 81 81 ASP HA H 1 4.27 0.01 . 1 . . . . 81 ASP HA . 15303 1 706 . 1 1 81 81 ASP HB2 H 1 3.00 0.01 . 2 . . . . 81 ASP HB2 . 15303 1 707 . 1 1 81 81 ASP HB3 H 1 2.90 0.01 . 2 . . . . 81 ASP HB3 . 15303 1 708 . 1 1 81 81 ASP C C 13 176.6 0.20 . 1 . . . . 81 ASP C . 15303 1 709 . 1 1 81 81 ASP CA C 13 56.0 0.20 . 1 . . . . 81 ASP CA . 15303 1 710 . 1 1 81 81 ASP CB C 13 40.2 0.20 . 1 . . . . 81 ASP CB . 15303 1 711 . 1 1 81 81 ASP N N 15 117.7 0.25 . 1 . . . . 81 ASP N . 15303 1 712 . 1 1 82 82 GLU H H 1 10.32 0.01 . 1 . . . . 82 GLU HN . 15303 1 713 . 1 1 82 82 GLU HA H 1 4.34 0.01 . 1 . . . . 82 GLU HA . 15303 1 714 . 1 1 82 82 GLU HB2 H 1 2.23 0.01 . 2 . . . . 82 GLU HB2 . 15303 1 715 . 1 1 82 82 GLU HG2 H 1 2.54 0.01 . 2 . . . . 82 GLU HG2 . 15303 1 716 . 1 1 82 82 GLU C C 13 178.7 0.20 . 1 . . . . 82 GLU C . 15303 1 717 . 1 1 82 82 GLU CA C 13 58.2 0.20 . 1 . . . . 82 GLU CA . 15303 1 718 . 1 1 82 82 GLU CB C 13 28.6 0.20 . 1 . . . . 82 GLU CB . 15303 1 719 . 1 1 82 82 GLU N N 15 123.9 0.25 . 1 . . . . 82 GLU N . 15303 1 720 . 1 1 83 83 GLY H H 1 7.78 0.01 . 1 . . . . 83 GLY HN . 15303 1 721 . 1 1 83 83 GLY HA2 H 1 4.15 0.01 . 2 . . . . 83 GLY HA1 . 15303 1 722 . 1 1 83 83 GLY HA3 H 1 4.29 0.01 . 2 . . . . 83 GLY HA2 . 15303 1 723 . 1 1 83 83 GLY C C 13 174.4 0.20 . 1 . . . . 83 GLY C . 15303 1 724 . 1 1 83 83 GLY CA C 13 46.6 0.20 . 1 . . . . 83 GLY CA . 15303 1 725 . 1 1 83 83 GLY N N 15 109.2 0.25 . 1 . . . . 83 GLY N . 15303 1 726 . 1 1 84 84 ARG H H 1 7.20 0.01 . 1 . . . . 84 ARG HN . 15303 1 727 . 1 1 84 84 ARG HA H 1 5.21 0.01 . 1 . . . . 84 ARG HA . 15303 1 728 . 1 1 84 84 ARG HB2 H 1 1.69 0.01 . 2 . . . . 84 ARG HB2 . 15303 1 729 . 1 1 84 84 ARG HB3 H 1 1.57 0.01 . 2 . . . . 84 ARG HB3 . 15303 1 730 . 1 1 84 84 ARG HG2 H 1 1.16 0.01 . 2 . . . . 84 ARG HG2 . 15303 1 731 . 1 1 84 84 ARG C C 13 174.0 0.20 . 1 . . . . 84 ARG C . 15303 1 732 . 1 1 84 84 ARG CA C 13 55.0 0.20 . 1 . . . . 84 ARG CA . 15303 1 733 . 1 1 84 84 ARG CB C 13 32.5 0.20 . 1 . . . . 84 ARG CB . 15303 1 734 . 1 1 84 84 ARG N N 15 121.0 0.25 . 1 . . . . 84 ARG N . 15303 1 735 . 1 1 85 85 ASN H H 1 9.27 0.01 . 1 . . . . 85 ASN HN . 15303 1 736 . 1 1 85 85 ASN HA H 1 5.00 0.01 . 1 . . . . 85 ASN HA . 15303 1 737 . 1 1 85 85 ASN HB2 H 1 2.77 0.01 . 2 . . . . 85 ASN HB2 . 15303 1 738 . 1 1 85 85 ASN HB3 H 1 2.19 0.01 . 2 . . . . 85 ASN HB3 . 15303 1 739 . 1 1 85 85 ASN C C 13 172.9 0.20 . 1 . . . . 85 ASN C . 15303 1 740 . 1 1 85 85 ASN CA C 13 53.8 0.20 . 1 . . . . 85 ASN CA . 15303 1 741 . 1 1 85 85 ASN CB C 13 43.6 0.20 . 1 . . . . 85 ASN CB . 15303 1 742 . 1 1 85 85 ASN N N 15 121.6 0.25 . 1 . . . . 85 ASN N . 15303 1 743 . 1 1 86 86 ASN H H 1 9.15 0.01 . 1 . . . . 86 ASN HN . 15303 1 744 . 1 1 86 86 ASN HA H 1 5.00 0.01 . 1 . . . . 86 ASN HA . 15303 1 745 . 1 1 86 86 ASN HB2 H 1 2.72 0.01 . 2 . . . . 86 ASN HB2 . 15303 1 746 . 1 1 86 86 ASN C C 13 174.4 0.20 . 1 . . . . 86 ASN C . 15303 1 747 . 1 1 86 86 ASN CA C 13 52.4 0.20 . 1 . . . . 86 ASN CA . 15303 1 748 . 1 1 86 86 ASN CB C 13 38.6 0.20 . 1 . . . . 86 ASN CB . 15303 1 749 . 1 1 86 86 ASN N N 15 123.2 0.25 . 1 . . . . 86 ASN N . 15303 1 750 . 1 1 87 87 PHE H H 1 8.38 0.01 . 1 . . . . 87 PHE HN . 15303 1 751 . 1 1 87 87 PHE HA H 1 3.46 0.01 . 1 . . . . 87 PHE HA . 15303 1 752 . 1 1 87 87 PHE HB2 H 1 2.62 0.01 . 2 . . . . 87 PHE HB2 . 15303 1 753 . 1 1 87 87 PHE HB3 H 1 1.60 0.01 . 2 . . . . 87 PHE HB3 . 15303 1 754 . 1 1 87 87 PHE C C 13 174.6 0.20 . 1 . . . . 87 PHE C . 15303 1 755 . 1 1 87 87 PHE CA C 13 59.0 0.20 . 1 . . . . 87 PHE CA . 15303 1 756 . 1 1 87 87 PHE CB C 13 39.0 0.20 . 1 . . . . 87 PHE CB . 15303 1 757 . 1 1 87 87 PHE N N 15 124.9 0.25 . 1 . . . . 87 PHE N . 15303 1 758 . 1 1 88 88 GLU H H 1 7.45 0.01 . 1 . . . . 88 GLU HN . 15303 1 759 . 1 1 88 88 GLU HA H 1 4.27 0.01 . 1 . . . . 88 GLU HA . 15303 1 760 . 1 1 88 88 GLU HB2 H 1 1.80 0.01 . 2 . . . . 88 GLU HB2 . 15303 1 761 . 1 1 88 88 GLU HB3 H 1 1.55 0.01 . 2 . . . . 88 GLU HB3 . 15303 1 762 . 1 1 88 88 GLU HG2 H 1 2.00 0.01 . 2 . . . . 88 GLU HG2 . 15303 1 763 . 1 1 88 88 GLU C C 13 173.9 0.20 . 1 . . . . 88 GLU C . 15303 1 764 . 1 1 88 88 GLU CA C 13 54.8 0.20 . 1 . . . . 88 GLU CA . 15303 1 765 . 1 1 88 88 GLU CB C 13 31.7 0.20 . 1 . . . . 88 GLU CB . 15303 1 766 . 1 1 88 88 GLU N N 15 128.6 0.25 . 1 . . . . 88 GLU N . 15303 1 767 . 1 1 89 89 GLY H H 1 7.05 0.01 . 1 . . . . 89 GLY HN . 15303 1 768 . 1 1 89 89 GLY HA2 H 1 3.70 0.01 . 2 . . . . 89 GLY HA1 . 15303 1 769 . 1 1 89 89 GLY HA3 H 1 3.84 0.01 . 2 . . . . 89 GLY HA2 . 15303 1 770 . 1 1 89 89 GLY C C 13 172.6 0.20 . 1 . . . . 89 GLY C . 15303 1 771 . 1 1 89 89 GLY CA C 13 43.4 0.20 . 1 . . . . 89 GLY CA . 15303 1 772 . 1 1 89 89 GLY N N 15 108.6 0.25 . 1 . . . . 89 GLY N . 15303 1 773 . 1 1 90 90 GLU H H 1 8.45 0.01 . 1 . . . . 90 GLU HN . 15303 1 774 . 1 1 90 90 GLU HA H 1 4.29 0.01 . 1 . . . . 90 GLU HA . 15303 1 775 . 1 1 90 90 GLU HB2 H 1 1.88 0.01 . 2 . . . . 90 GLU HB2 . 15303 1 776 . 1 1 90 90 GLU HG2 H 1 2.17 0.01 . 2 . . . . 90 GLU HG2 . 15303 1 777 . 1 1 90 90 GLU HG3 H 1 2.29 0.01 . 2 . . . . 90 GLU HG3 . 15303 1 778 . 1 1 90 90 GLU C C 13 177.4 0.20 . 1 . . . . 90 GLU C . 15303 1 779 . 1 1 90 90 GLU CA C 13 56.2 0.20 . 1 . . . . 90 GLU CA . 15303 1 780 . 1 1 90 90 GLU CB C 13 29.9 0.20 . 1 . . . . 90 GLU CB . 15303 1 781 . 1 1 90 90 GLU N N 15 120.4 0.25 . 1 . . . . 90 GLU N . 15303 1 782 . 1 1 91 91 VAL H H 1 9.14 0.01 . 1 . . . . 91 VAL HN . 15303 1 783 . 1 1 91 91 VAL HA H 1 3.73 0.01 . 1 . . . . 91 VAL HA . 15303 1 784 . 1 1 91 91 VAL HB H 1 2.27 0.01 . 1 . . . . 91 VAL HB . 15303 1 785 . 1 1 91 91 VAL HG11 H 1 1.21 0.01 . 2 . . . . 91 VAL HG1 . 15303 1 786 . 1 1 91 91 VAL HG12 H 1 1.21 0.01 . 2 . . . . 91 VAL HG1 . 15303 1 787 . 1 1 91 91 VAL HG13 H 1 1.21 0.01 . 2 . . . . 91 VAL HG1 . 15303 1 788 . 1 1 91 91 VAL HG21 H 1 0.89 0.01 . 2 . . . . 91 VAL HG2 . 15303 1 789 . 1 1 91 91 VAL HG22 H 1 0.89 0.01 . 2 . . . . 91 VAL HG2 . 15303 1 790 . 1 1 91 91 VAL HG23 H 1 0.89 0.01 . 2 . . . . 91 VAL HG2 . 15303 1 791 . 1 1 91 91 VAL C C 13 173.6 0.20 . 1 . . . . 91 VAL C . 15303 1 792 . 1 1 91 91 VAL CA C 13 64.4 0.20 . 1 . . . . 91 VAL CA . 15303 1 793 . 1 1 91 91 VAL CB C 13 29.8 0.20 . 1 . . . . 91 VAL CB . 15303 1 794 . 1 1 91 91 VAL N N 15 126.5 0.25 . 1 . . . . 91 VAL N . 15303 1 795 . 1 1 92 92 THR H H 1 7.21 0.01 . 1 . . . . 92 THR HN . 15303 1 796 . 1 1 92 92 THR HA H 1 4.63 0.01 . 1 . . . . 92 THR HA . 15303 1 797 . 1 1 92 92 THR HB H 1 4.52 0.01 . 1 . . . . 92 THR HB . 15303 1 798 . 1 1 92 92 THR HG21 H 1 1.11 0.01 . 1 . . . . 92 THR HG2 . 15303 1 799 . 1 1 92 92 THR HG22 H 1 1.11 0.01 . 1 . . . . 92 THR HG2 . 15303 1 800 . 1 1 92 92 THR HG23 H 1 1.11 0.01 . 1 . . . . 92 THR HG2 . 15303 1 801 . 1 1 92 92 THR C C 13 174.1 0.20 . 1 . . . . 92 THR C . 15303 1 802 . 1 1 92 92 THR CA C 13 58.0 0.20 . 1 . . . . 92 THR CA . 15303 1 803 . 1 1 92 92 THR CB C 13 72.4 0.20 . 1 . . . . 92 THR CB . 15303 1 804 . 1 1 92 92 THR N N 15 117.9 0.25 . 1 . . . . 92 THR N . 15303 1 805 . 1 1 93 93 LYS H H 1 9.36 0.01 . 1 . . . . 93 LYS HN . 15303 1 806 . 1 1 93 93 LYS HA H 1 3.68 0.01 . 1 . . . . 93 LYS HA . 15303 1 807 . 1 1 93 93 LYS HB2 H 1 1.91 0.01 . 2 . . . . 93 LYS HB2 . 15303 1 808 . 1 1 93 93 LYS HB3 H 1 1.76 0.01 . 2 . . . . 93 LYS HB3 . 15303 1 809 . 1 1 93 93 LYS HG2 H 1 1.10 0.01 . 2 . . . . 93 LYS HG2 . 15303 1 810 . 1 1 93 93 LYS C C 13 177.1 0.20 . 1 . . . . 93 LYS C . 15303 1 811 . 1 1 93 93 LYS CA C 13 60.7 0.20 . 1 . . . . 93 LYS CA . 15303 1 812 . 1 1 93 93 LYS CB C 13 32.1 0.20 . 1 . . . . 93 LYS CB . 15303 1 813 . 1 1 93 93 LYS N N 15 124.1 0.25 . 1 . . . . 93 LYS N . 15303 1 814 . 1 1 94 94 GLU H H 1 9.12 0.01 . 1 . . . . 94 GLU HN . 15303 1 815 . 1 1 94 94 GLU HA H 1 3.90 0.01 . 1 . . . . 94 GLU HA . 15303 1 816 . 1 1 94 94 GLU HB2 H 1 2.01 0.01 . 2 . . . . 94 GLU HB2 . 15303 1 817 . 1 1 94 94 GLU HG2 H 1 2.28 0.01 . 2 . . . . 94 GLU HG2 . 15303 1 818 . 1 1 94 94 GLU HG3 H 1 2.48 0.01 . 2 . . . . 94 GLU HG3 . 15303 1 819 . 1 1 94 94 GLU C C 13 179.1 0.20 . 1 . . . . 94 GLU C . 15303 1 820 . 1 1 94 94 GLU CA C 13 60.7 0.20 . 1 . . . . 94 GLU CA . 15303 1 821 . 1 1 94 94 GLU CB C 13 28.7 0.20 . 1 . . . . 94 GLU CB . 15303 1 822 . 1 1 94 94 GLU N N 15 116.6 0.25 . 1 . . . . 94 GLU N . 15303 1 823 . 1 1 95 95 ASN H H 1 8.02 0.01 . 1 . . . . 95 ASN HN . 15303 1 824 . 1 1 95 95 ASN HA H 1 4.65 0.01 . 1 . . . . 95 ASN HA . 15303 1 825 . 1 1 95 95 ASN HB2 H 1 3.20 0.01 . 2 . . . . 95 ASN HB2 . 15303 1 826 . 1 1 95 95 ASN HB3 H 1 3.12 0.01 . 2 . . . . 95 ASN HB3 . 15303 1 827 . 1 1 95 95 ASN C C 13 179.7 0.20 . 1 . . . . 95 ASN C . 15303 1 828 . 1 1 95 95 ASN CA C 13 55.3 0.20 . 1 . . . . 95 ASN CA . 15303 1 829 . 1 1 95 95 ASN CB C 13 37.5 0.20 . 1 . . . . 95 ASN CB . 15303 1 830 . 1 1 95 95 ASN N N 15 118.1 0.25 . 1 . . . . 95 ASN N . 15303 1 831 . 1 1 96 96 LEU H H 1 8.55 0.01 . 1 . . . . 96 LEU HN . 15303 1 832 . 1 1 96 96 LEU HA H 1 3.96 0.01 . 1 . . . . 96 LEU HA . 15303 1 833 . 1 1 96 96 LEU HB2 H 1 2.00 0.01 . 2 . . . . 96 LEU HB2 . 15303 1 834 . 1 1 96 96 LEU HB3 H 1 1.48 0.01 . 2 . . . . 96 LEU HB3 . 15303 1 835 . 1 1 96 96 LEU HD11 H 1 0.76 0.01 . 2 . . . . 96 LEU HD1 . 15303 1 836 . 1 1 96 96 LEU HD12 H 1 0.76 0.01 . 2 . . . . 96 LEU HD1 . 15303 1 837 . 1 1 96 96 LEU HD13 H 1 0.76 0.01 . 2 . . . . 96 LEU HD1 . 15303 1 838 . 1 1 96 96 LEU HD21 H 1 0.14 0.01 . 2 . . . . 96 LEU HD2 . 15303 1 839 . 1 1 96 96 LEU HD22 H 1 0.14 0.01 . 2 . . . . 96 LEU HD2 . 15303 1 840 . 1 1 96 96 LEU HD23 H 1 0.14 0.01 . 2 . . . . 96 LEU HD2 . 15303 1 841 . 1 1 96 96 LEU HG H 1 1.02 0.01 . 1 . . . . 96 LEU HG . 15303 1 842 . 1 1 96 96 LEU C C 13 178.4 0.20 . 1 . . . . 96 LEU C . 15303 1 843 . 1 1 96 96 LEU CA C 13 57.5 0.20 . 1 . . . . 96 LEU CA . 15303 1 844 . 1 1 96 96 LEU CB C 13 42.2 0.20 . 1 . . . . 96 LEU CB . 15303 1 845 . 1 1 96 96 LEU N N 15 121.6 0.25 . 1 . . . . 96 LEU N . 15303 1 846 . 1 1 97 97 LEU H H 1 8.50 0.01 . 1 . . . . 97 LEU HN . 15303 1 847 . 1 1 97 97 LEU HA H 1 4.01 0.01 . 1 . . . . 97 LEU HA . 15303 1 848 . 1 1 97 97 LEU HB2 H 1 1.93 0.01 . 2 . . . . 97 LEU HB2 . 15303 1 849 . 1 1 97 97 LEU HD11 H 1 0.89 0.01 . 2 . . . . 97 LEU HD1 . 15303 1 850 . 1 1 97 97 LEU HD12 H 1 0.89 0.01 . 2 . . . . 97 LEU HD1 . 15303 1 851 . 1 1 97 97 LEU HD13 H 1 0.89 0.01 . 2 . . . . 97 LEU HD1 . 15303 1 852 . 1 1 97 97 LEU HG H 1 1.54 0.01 . 1 . . . . 97 LEU HG . 15303 1 853 . 1 1 97 97 LEU C C 13 179.2 0.20 . 1 . . . . 97 LEU C . 15303 1 854 . 1 1 97 97 LEU CA C 13 58.9 0.20 . 1 . . . . 97 LEU CA . 15303 1 855 . 1 1 97 97 LEU CB C 13 40.9 0.20 . 1 . . . . 97 LEU CB . 15303 1 856 . 1 1 97 97 LEU N N 15 120.1 0.25 . 1 . . . . 97 LEU N . 15303 1 857 . 1 1 98 98 ASP H H 1 7.66 0.01 . 1 . . . . 98 ASP HN . 15303 1 858 . 1 1 98 98 ASP HA H 1 4.41 0.01 . 1 . . . . 98 ASP HA . 15303 1 859 . 1 1 98 98 ASP HB2 H 1 2.85 0.01 . 2 . . . . 98 ASP HB2 . 15303 1 860 . 1 1 98 98 ASP HB3 H 1 2.72 0.01 . 2 . . . . 98 ASP HB3 . 15303 1 861 . 1 1 98 98 ASP C C 13 177.8 0.20 . 1 . . . . 98 ASP C . 15303 1 862 . 1 1 98 98 ASP CA C 13 57.7 0.20 . 1 . . . . 98 ASP CA . 15303 1 863 . 1 1 98 98 ASP CB C 13 41.1 0.20 . 1 . . . . 98 ASP CB . 15303 1 864 . 1 1 98 98 ASP N N 15 118.7 0.25 . 1 . . . . 98 ASP N . 15303 1 865 . 1 1 99 99 PHE H H 1 7.90 0.01 . 1 . . . . 99 PHE HN . 15303 1 866 . 1 1 99 99 PHE HA H 1 4.53 0.01 . 1 . . . . 99 PHE HA . 15303 1 867 . 1 1 99 99 PHE HB2 H 1 3.75 0.01 . 2 . . . . 99 PHE HB2 . 15303 1 868 . 1 1 99 99 PHE HB3 H 1 3.43 0.01 . 2 . . . . 99 PHE HB3 . 15303 1 869 . 1 1 99 99 PHE C C 13 177.6 0.20 . 1 . . . . 99 PHE C . 15303 1 870 . 1 1 99 99 PHE CA C 13 60.4 0.20 . 1 . . . . 99 PHE CA . 15303 1 871 . 1 1 99 99 PHE CB C 13 39.8 0.20 . 1 . . . . 99 PHE CB . 15303 1 872 . 1 1 99 99 PHE N N 15 120.8 0.25 . 1 . . . . 99 PHE N . 15303 1 873 . 1 1 100 100 ILE H H 1 8.78 0.01 . 1 . . . . 100 ILE HN . 15303 1 874 . 1 1 100 100 ILE HA H 1 3.12 0.01 . 1 . . . . 100 ILE HA . 15303 1 875 . 1 1 100 100 ILE HB H 1 2.15 0.01 . 1 . . . . 100 ILE HB . 15303 1 876 . 1 1 100 100 ILE HD11 H 1 0.75 0.01 . 1 . . . . 100 ILE HD1 . 15303 1 877 . 1 1 100 100 ILE HD12 H 1 0.75 0.01 . 1 . . . . 100 ILE HD1 . 15303 1 878 . 1 1 100 100 ILE HD13 H 1 0.75 0.01 . 1 . . . . 100 ILE HD1 . 15303 1 879 . 1 1 100 100 ILE HG12 H 1 1.80 0.01 . 2 . . . . 100 ILE HG12 . 15303 1 880 . 1 1 100 100 ILE HG21 H 1 0.95 0.01 . 1 . . . . 100 ILE HG2 . 15303 1 881 . 1 1 100 100 ILE HG22 H 1 0.95 0.01 . 1 . . . . 100 ILE HG2 . 15303 1 882 . 1 1 100 100 ILE HG23 H 1 0.95 0.01 . 1 . . . . 100 ILE HG2 . 15303 1 883 . 1 1 100 100 ILE C C 13 177.4 0.20 . 1 . . . . 100 ILE C . 15303 1 884 . 1 1 100 100 ILE CA C 13 65.5 0.20 . 1 . . . . 100 ILE CA . 15303 1 885 . 1 1 100 100 ILE CB C 13 38.5 0.20 . 1 . . . . 100 ILE CB . 15303 1 886 . 1 1 100 100 ILE N N 15 121.4 0.25 . 1 . . . . 100 ILE N . 15303 1 887 . 1 1 101 101 LYS H H 1 8.21 0.01 . 1 . . . . 101 LYS HN . 15303 1 888 . 1 1 101 101 LYS HA H 1 4.20 0.01 . 1 . . . . 101 LYS HA . 15303 1 889 . 1 1 101 101 LYS HB2 H 1 1.97 0.01 . 2 . . . . 101 LYS HB2 . 15303 1 890 . 1 1 101 101 LYS HB3 H 1 1.85 0.01 . 2 . . . . 101 LYS HB3 . 15303 1 891 . 1 1 101 101 LYS HG2 H 1 1.58 0.01 . 2 . . . . 101 LYS HG2 . 15303 1 892 . 1 1 101 101 LYS HG3 H 1 1.45 0.01 . 2 . . . . 101 LYS HG3 . 15303 1 893 . 1 1 101 101 LYS C C 13 179.4 0.20 . 1 . . . . 101 LYS C . 15303 1 894 . 1 1 101 101 LYS CA C 13 59.3 0.20 . 1 . . . . 101 LYS CA . 15303 1 895 . 1 1 101 101 LYS CB C 13 31.8 0.20 . 1 . . . . 101 LYS CB . 15303 1 896 . 1 1 101 101 LYS N N 15 117.9 0.25 . 1 . . . . 101 LYS N . 15303 1 897 . 1 1 102 102 HIS H H 1 7.87 0.01 . 1 . . . . 102 HIS HN . 15303 1 898 . 1 1 102 102 HIS HA H 1 4.42 0.01 . 1 . . . . 102 HIS HA . 15303 1 899 . 1 1 102 102 HIS HB2 H 1 3.17 0.01 . 2 . . . . 102 HIS HB2 . 15303 1 900 . 1 1 102 102 HIS C C 13 175.9 0.20 . 1 . . . . 102 HIS C . 15303 1 901 . 1 1 102 102 HIS CA C 13 58.4 0.20 . 1 . . . . 102 HIS CA . 15303 1 902 . 1 1 102 102 HIS CB C 13 30.1 0.20 . 1 . . . . 102 HIS CB . 15303 1 903 . 1 1 102 102 HIS N N 15 113.9 0.25 . 1 . . . . 102 HIS N . 15303 1 904 . 1 1 103 103 ASN H H 1 7.27 0.01 . 1 . . . . 103 ASN HN . 15303 1 905 . 1 1 103 103 ASN HA H 1 4.84 0.01 . 1 . . . . 103 ASN HA . 15303 1 906 . 1 1 103 103 ASN HB2 H 1 2.58 0.01 . 2 . . . . 103 ASN HB2 . 15303 1 907 . 1 1 103 103 ASN HB3 H 1 1.90 0.01 . 2 . . . . 103 ASN HB3 . 15303 1 908 . 1 1 103 103 ASN C C 13 174.5 0.20 . 1 . . . . 103 ASN C . 15303 1 909 . 1 1 103 103 ASN CA C 13 54.4 0.20 . 1 . . . . 103 ASN CA . 15303 1 910 . 1 1 103 103 ASN CB C 13 41.1 0.20 . 1 . . . . 103 ASN CB . 15303 1 911 . 1 1 103 103 ASN N N 15 113.9 0.25 . 1 . . . . 103 ASN N . 15303 1 912 . 1 1 104 104 GLN H H 1 7.65 0.01 . 1 . . . . 104 GLN HN . 15303 1 913 . 1 1 104 104 GLN HA H 1 4.25 0.01 . 1 . . . . 104 GLN HA . 15303 1 914 . 1 1 104 104 GLN HB2 H 1 2.04 0.01 . 2 . . . . 104 GLN HB2 . 15303 1 915 . 1 1 104 104 GLN HG2 H 1 2.31 0.01 . 2 . . . . 104 GLN HG2 . 15303 1 916 . 1 1 104 104 GLN HG3 H 1 2.54 0.01 . 2 . . . . 104 GLN HG3 . 15303 1 917 . 1 1 104 104 GLN C C 13 173.8 0.20 . 1 . . . . 104 GLN C . 15303 1 918 . 1 1 104 104 GLN CA C 13 57.4 0.20 . 1 . . . . 104 GLN CA . 15303 1 919 . 1 1 104 104 GLN CB C 13 28.9 0.20 . 1 . . . . 104 GLN CB . 15303 1 920 . 1 1 104 104 GLN N N 15 115.0 0.25 . 1 . . . . 104 GLN N . 15303 1 921 . 1 1 105 105 LEU H H 1 7.50 0.01 . 1 . . . . 105 LEU HN . 15303 1 922 . 1 1 105 105 LEU HA H 1 4.72 0.01 . 1 . . . . 105 LEU HA . 15303 1 923 . 1 1 105 105 LEU HB2 H 1 1.64 0.01 . 2 . . . . 105 LEU HB2 . 15303 1 924 . 1 1 105 105 LEU HD11 H 1 0.89 0.01 . 2 . . . . 105 LEU HD1 . 15303 1 925 . 1 1 105 105 LEU HD12 H 1 0.89 0.01 . 2 . . . . 105 LEU HD1 . 15303 1 926 . 1 1 105 105 LEU HD13 H 1 0.89 0.01 . 2 . . . . 105 LEU HD1 . 15303 1 927 . 1 1 105 105 LEU CA C 13 51.8 0.20 . 1 . . . . 105 LEU CA . 15303 1 928 . 1 1 105 105 LEU CB C 13 42.1 0.20 . 1 . . . . 105 LEU CB . 15303 1 929 . 1 1 105 105 LEU N N 15 119.7 0.25 . 1 . . . . 105 LEU N . 15303 1 930 . 1 1 106 106 PRO HA H 1 4.38 0.01 . 1 . . . . 106 PRO HA . 15303 1 931 . 1 1 106 106 PRO C C 13 175.6 0.20 . 1 . . . . 106 PRO C . 15303 1 932 . 1 1 106 106 PRO CA C 13 61.7 0.20 . 1 . . . . 106 PRO CA . 15303 1 933 . 1 1 106 106 PRO CB C 13 31.8 0.20 . 1 . . . . 106 PRO CB . 15303 1 934 . 1 1 107 107 LEU H H 1 9.44 0.01 . 1 . . . . 107 LEU HN . 15303 1 935 . 1 1 107 107 LEU HA H 1 3.98 0.01 . 1 . . . . 107 LEU HA . 15303 1 936 . 1 1 107 107 LEU HB2 H 1 1.71 0.01 . 2 . . . . 107 LEU HB2 . 15303 1 937 . 1 1 107 107 LEU HB3 H 1 1.57 0.01 . 2 . . . . 107 LEU HB3 . 15303 1 938 . 1 1 107 107 LEU HD11 H 1 0.85 0.01 . 2 . . . . 107 LEU HD1 . 15303 1 939 . 1 1 107 107 LEU HD12 H 1 0.85 0.01 . 2 . . . . 107 LEU HD1 . 15303 1 940 . 1 1 107 107 LEU HD13 H 1 0.85 0.01 . 2 . . . . 107 LEU HD1 . 15303 1 941 . 1 1 107 107 LEU C C 13 177.1 0.20 . 1 . . . . 107 LEU C . 15303 1 942 . 1 1 107 107 LEU CA C 13 57.8 0.20 . 1 . . . . 107 LEU CA . 15303 1 943 . 1 1 107 107 LEU CB C 13 42.7 0.20 . 1 . . . . 107 LEU CB . 15303 1 944 . 1 1 107 107 LEU N N 15 123.4 0.25 . 1 . . . . 107 LEU N . 15303 1 945 . 1 1 108 108 VAL H H 1 7.73 0.01 . 1 . . . . 108 VAL HN . 15303 1 946 . 1 1 108 108 VAL HA H 1 5.01 0.01 . 1 . . . . 108 VAL HA . 15303 1 947 . 1 1 108 108 VAL HB H 1 2.07 0.01 . 1 . . . . 108 VAL HB . 15303 1 948 . 1 1 108 108 VAL HG11 H 1 0.89 0.01 . 2 . . . . 108 VAL HG1 . 15303 1 949 . 1 1 108 108 VAL HG12 H 1 0.89 0.01 . 2 . . . . 108 VAL HG1 . 15303 1 950 . 1 1 108 108 VAL HG13 H 1 0.89 0.01 . 2 . . . . 108 VAL HG1 . 15303 1 951 . 1 1 108 108 VAL C C 13 174.8 0.20 . 1 . . . . 108 VAL C . 15303 1 952 . 1 1 108 108 VAL CA C 13 59.4 0.20 . 1 . . . . 108 VAL CA . 15303 1 953 . 1 1 108 108 VAL CB C 13 34.4 0.20 . 1 . . . . 108 VAL CB . 15303 1 954 . 1 1 108 108 VAL N N 15 109.7 0.25 . 1 . . . . 108 VAL N . 15303 1 955 . 1 1 109 109 ILE H H 1 8.70 0.01 . 1 . . . . 109 ILE HN . 15303 1 956 . 1 1 109 109 ILE HA H 1 4.21 0.01 . 1 . . . . 109 ILE HA . 15303 1 957 . 1 1 109 109 ILE HB H 1 1.74 0.01 . 1 . . . . 109 ILE HB . 15303 1 958 . 1 1 109 109 ILE HD11 H 1 0.80 0.01 . 1 . . . . 109 ILE HD1 . 15303 1 959 . 1 1 109 109 ILE HD12 H 1 0.80 0.01 . 1 . . . . 109 ILE HD1 . 15303 1 960 . 1 1 109 109 ILE HD13 H 1 0.80 0.01 . 1 . . . . 109 ILE HD1 . 15303 1 961 . 1 1 109 109 ILE HG12 H 1 1.58 0.01 . 2 . . . . 109 ILE HG12 . 15303 1 962 . 1 1 109 109 ILE HG21 H 1 0.91 0.01 . 1 . . . . 109 ILE HG2 . 15303 1 963 . 1 1 109 109 ILE HG22 H 1 0.91 0.01 . 1 . . . . 109 ILE HG2 . 15303 1 964 . 1 1 109 109 ILE HG23 H 1 0.91 0.01 . 1 . . . . 109 ILE HG2 . 15303 1 965 . 1 1 109 109 ILE C C 13 173.5 0.20 . 1 . . . . 109 ILE C . 15303 1 966 . 1 1 109 109 ILE CA C 13 59.9 0.20 . 1 . . . . 109 ILE CA . 15303 1 967 . 1 1 109 109 ILE CB C 13 41.6 0.20 . 1 . . . . 109 ILE CB . 15303 1 968 . 1 1 109 109 ILE N N 15 124.5 0.25 . 1 . . . . 109 ILE N . 15303 1 969 . 1 1 110 110 GLU H H 1 8.41 0.01 . 1 . . . . 110 GLU HN . 15303 1 970 . 1 1 110 110 GLU HA H 1 3.43 0.01 . 1 . . . . 110 GLU HA . 15303 1 971 . 1 1 110 110 GLU HB2 H 1 1.74 0.01 . 2 . . . . 110 GLU HB2 . 15303 1 972 . 1 1 110 110 GLU HB3 H 1 1.54 0.01 . 2 . . . . 110 GLU HB3 . 15303 1 973 . 1 1 110 110 GLU C C 13 176.0 0.20 . 1 . . . . 110 GLU C . 15303 1 974 . 1 1 110 110 GLU CA C 13 54.7 0.20 . 1 . . . . 110 GLU CA . 15303 1 975 . 1 1 110 110 GLU CB C 13 29.8 0.20 . 1 . . . . 110 GLU CB . 15303 1 976 . 1 1 110 110 GLU N N 15 128.2 0.25 . 1 . . . . 110 GLU N . 15303 1 977 . 1 1 111 111 PHE H H 1 8.68 0.01 . 1 . . . . 111 PHE HN . 15303 1 978 . 1 1 111 111 PHE HA H 1 3.85 0.01 . 1 . . . . 111 PHE HA . 15303 1 979 . 1 1 111 111 PHE HB2 H 1 2.82 0.01 . 2 . . . . 111 PHE HB2 . 15303 1 980 . 1 1 111 111 PHE HB3 H 1 2.46 0.01 . 2 . . . . 111 PHE HB3 . 15303 1 981 . 1 1 111 111 PHE C C 13 173.6 0.20 . 1 . . . . 111 PHE C . 15303 1 982 . 1 1 111 111 PHE CA C 13 59.5 0.20 . 1 . . . . 111 PHE CA . 15303 1 983 . 1 1 111 111 PHE CB C 13 40.2 0.20 . 1 . . . . 111 PHE CB . 15303 1 984 . 1 1 111 111 PHE N N 15 128.8 0.25 . 1 . . . . 111 PHE N . 15303 1 985 . 1 1 112 112 THR H H 1 7.31 0.01 . 1 . . . . 112 THR HN . 15303 1 986 . 1 1 112 112 THR HA H 1 4.50 0.01 . 1 . . . . 112 THR HA . 15303 1 987 . 1 1 112 112 THR HB H 1 4.22 0.01 . 1 . . . . 112 THR HB . 15303 1 988 . 1 1 112 112 THR HG21 H 1 1.03 0.01 . 1 . . . . 112 THR HG2 . 15303 1 989 . 1 1 112 112 THR HG22 H 1 1.03 0.01 . 1 . . . . 112 THR HG2 . 15303 1 990 . 1 1 112 112 THR HG23 H 1 1.03 0.01 . 1 . . . . 112 THR HG2 . 15303 1 991 . 1 1 112 112 THR C C 13 173.7 0.20 . 1 . . . . 112 THR C . 15303 1 992 . 1 1 112 112 THR CA C 13 59.2 0.20 . 1 . . . . 112 THR CA . 15303 1 993 . 1 1 112 112 THR CB C 13 73.5 0.20 . 1 . . . . 112 THR CB . 15303 1 994 . 1 1 112 112 THR N N 15 119.8 0.25 . 1 . . . . 112 THR N . 15303 1 995 . 1 1 113 113 GLU H H 1 8.93 0.01 . 1 . . . . 113 GLU HN . 15303 1 996 . 1 1 113 113 GLU HA H 1 3.89 0.01 . 1 . . . . 113 GLU HA . 15303 1 997 . 1 1 113 113 GLU HB2 H 1 2.02 0.01 . 2 . . . . 113 GLU HB2 . 15303 1 998 . 1 1 113 113 GLU HG2 H 1 2.28 0.01 . 2 . . . . 113 GLU HG2 . 15303 1 999 . 1 1 113 113 GLU HG3 H 1 2.37 0.01 . 2 . . . . 113 GLU HG3 . 15303 1 1000 . 1 1 113 113 GLU C C 13 178.1 0.20 . 1 . . . . 113 GLU C . 15303 1 1001 . 1 1 113 113 GLU CA C 13 59.1 0.20 . 1 . . . . 113 GLU CA . 15303 1 1002 . 1 1 113 113 GLU CB C 13 29.2 0.20 . 1 . . . . 113 GLU CB . 15303 1 1003 . 1 1 113 113 GLU N N 15 120.1 0.25 . 1 . . . . 113 GLU N . 15303 1 1004 . 1 1 114 114 GLN H H 1 7.94 0.01 . 1 . . . . 114 GLN HN . 15303 1 1005 . 1 1 114 114 GLN HA H 1 4.13 0.01 . 1 . . . . 114 GLN HA . 15303 1 1006 . 1 1 114 114 GLN HB2 H 1 2.01 0.01 . 2 . . . . 114 GLN HB2 . 15303 1 1007 . 1 1 114 114 GLN HG2 H 1 2.40 0.01 . 2 . . . . 114 GLN HG2 . 15303 1 1008 . 1 1 114 114 GLN C C 13 177.8 0.20 . 1 . . . . 114 GLN C . 15303 1 1009 . 1 1 114 114 GLN CA C 13 58.2 0.20 . 1 . . . . 114 GLN CA . 15303 1 1010 . 1 1 114 114 GLN CB C 13 28.6 0.20 . 1 . . . . 114 GLN CB . 15303 1 1011 . 1 1 114 114 GLN N N 15 114.8 0.25 . 1 . . . . 114 GLN N . 15303 1 1012 . 1 1 115 115 THR H H 1 7.50 0.01 . 1 . . . . 115 THR HN . 15303 1 1013 . 1 1 115 115 THR HA H 1 4.18 0.01 . 1 . . . . 115 THR HA . 15303 1 1014 . 1 1 115 115 THR HB H 1 3.86 0.01 . 1 . . . . 115 THR HB . 15303 1 1015 . 1 1 115 115 THR HG21 H 1 1.18 0.01 . 1 . . . . 115 THR HG2 . 15303 1 1016 . 1 1 115 115 THR HG22 H 1 1.18 0.01 . 1 . . . . 115 THR HG2 . 15303 1 1017 . 1 1 115 115 THR HG23 H 1 1.18 0.01 . 1 . . . . 115 THR HG2 . 15303 1 1018 . 1 1 115 115 THR C C 13 175.8 0.20 . 1 . . . . 115 THR C . 15303 1 1019 . 1 1 115 115 THR CA C 13 61.9 0.20 . 1 . . . . 115 THR CA . 15303 1 1020 . 1 1 115 115 THR CB C 13 69.4 0.20 . 1 . . . . 115 THR CB . 15303 1 1021 . 1 1 115 115 THR N N 15 109.0 0.25 . 1 . . . . 115 THR N . 15303 1 1022 . 1 1 116 116 ALA H H 1 7.77 0.01 . 1 . . . . 116 ALA HN . 15303 1 1023 . 1 1 116 116 ALA HA H 1 3.84 0.01 . 1 . . . . 116 ALA HA . 15303 1 1024 . 1 1 116 116 ALA HB1 H 1 1.33 0.01 . 1 . . . . 116 ALA HB . 15303 1 1025 . 1 1 116 116 ALA HB2 H 1 1.33 0.01 . 1 . . . . 116 ALA HB . 15303 1 1026 . 1 1 116 116 ALA HB3 H 1 1.33 0.01 . 1 . . . . 116 ALA HB . 15303 1 1027 . 1 1 116 116 ALA CA C 13 56.8 0.20 . 1 . . . . 116 ALA CA . 15303 1 1028 . 1 1 116 116 ALA CB C 13 16.1 0.20 . 1 . . . . 116 ALA CB . 15303 1 1029 . 1 1 116 116 ALA N N 15 125.5 0.25 . 1 . . . . 116 ALA N . 15303 1 1030 . 1 1 117 117 PRO HA H 1 4.37 0.01 . 1 . . . . 117 PRO HA . 15303 1 1031 . 1 1 117 117 PRO C C 13 179.5 0.20 . 1 . . . . 117 PRO C . 15303 1 1032 . 1 1 117 117 PRO CA C 13 65.8 0.20 . 1 . . . . 117 PRO CA . 15303 1 1033 . 1 1 117 117 PRO CB C 13 30.8 0.20 . 1 . . . . 117 PRO CB . 15303 1 1034 . 1 1 118 118 LYS H H 1 7.26 0.01 . 1 . . . . 118 LYS HN . 15303 1 1035 . 1 1 118 118 LYS HA H 1 4.14 0.01 . 1 . . . . 118 LYS HA . 15303 1 1036 . 1 1 118 118 LYS HB2 H 1 1.87 0.01 . 2 . . . . 118 LYS HB2 . 15303 1 1037 . 1 1 118 118 LYS HG2 H 1 1.60 0.01 . 2 . . . . 118 LYS HG2 . 15303 1 1038 . 1 1 118 118 LYS HG3 H 1 1.44 0.01 . 2 . . . . 118 LYS HG3 . 15303 1 1039 . 1 1 118 118 LYS C C 13 178.3 0.20 . 1 . . . . 118 LYS C . 15303 1 1040 . 1 1 118 118 LYS CA C 13 57.5 0.20 . 1 . . . . 118 LYS CA . 15303 1 1041 . 1 1 118 118 LYS CB C 13 32.2 0.20 . 1 . . . . 118 LYS CB . 15303 1 1042 . 1 1 118 118 LYS N N 15 115.8 0.25 . 1 . . . . 118 LYS N . 15303 1 1043 . 1 1 119 119 ILE H H 1 7.69 0.01 . 1 . . . . 119 ILE HN . 15303 1 1044 . 1 1 119 119 ILE HA H 1 3.44 0.01 . 1 . . . . 119 ILE HA . 15303 1 1045 . 1 1 119 119 ILE HB H 1 1.44 0.01 . 1 . . . . 119 ILE HB . 15303 1 1046 . 1 1 119 119 ILE HD11 H 1 0.13 0.01 . 1 . . . . 119 ILE HD1 . 15303 1 1047 . 1 1 119 119 ILE HD12 H 1 0.13 0.01 . 1 . . . . 119 ILE HD1 . 15303 1 1048 . 1 1 119 119 ILE HD13 H 1 0.13 0.01 . 1 . . . . 119 ILE HD1 . 15303 1 1049 . 1 1 119 119 ILE HG12 H 1 0.75 0.01 . 2 . . . . 119 ILE HG12 . 15303 1 1050 . 1 1 119 119 ILE HG21 H 1 0.62 0.01 . 1 . . . . 119 ILE HG2 . 15303 1 1051 . 1 1 119 119 ILE HG22 H 1 0.62 0.01 . 1 . . . . 119 ILE HG2 . 15303 1 1052 . 1 1 119 119 ILE HG23 H 1 0.62 0.01 . 1 . . . . 119 ILE HG2 . 15303 1 1053 . 1 1 119 119 ILE C C 13 177.5 0.20 . 1 . . . . 119 ILE C . 15303 1 1054 . 1 1 119 119 ILE CA C 13 64.4 0.20 . 1 . . . . 119 ILE CA . 15303 1 1055 . 1 1 119 119 ILE CB C 13 38.7 0.20 . 1 . . . . 119 ILE CB . 15303 1 1056 . 1 1 119 119 ILE N N 15 119.3 0.25 . 1 . . . . 119 ILE N . 15303 1 1057 . 1 1 120 120 PHE H H 1 8.04 0.01 . 1 . . . . 120 PHE HN . 15303 1 1058 . 1 1 120 120 PHE HA H 1 4.31 0.01 . 1 . . . . 120 PHE HA . 15303 1 1059 . 1 1 120 120 PHE HB2 H 1 3.27 0.01 . 2 . . . . 120 PHE HB2 . 15303 1 1060 . 1 1 120 120 PHE HB3 H 1 2.79 0.01 . 2 . . . . 120 PHE HB3 . 15303 1 1061 . 1 1 120 120 PHE C C 13 176.8 0.20 . 1 . . . . 120 PHE C . 15303 1 1062 . 1 1 120 120 PHE CA C 13 58.9 0.20 . 1 . . . . 120 PHE CA . 15303 1 1063 . 1 1 120 120 PHE CB C 13 38.4 0.20 . 1 . . . . 120 PHE CB . 15303 1 1064 . 1 1 120 120 PHE N N 15 115.8 0.25 . 1 . . . . 120 PHE N . 15303 1 1065 . 1 1 121 121 GLY H H 1 7.66 0.01 . 1 . . . . 121 GLY HN . 15303 1 1066 . 1 1 121 121 GLY HA2 H 1 3.83 0.01 . 2 . . . . 121 GLY HA1 . 15303 1 1067 . 1 1 121 121 GLY HA3 H 1 4.35 0.01 . 2 . . . . 121 GLY HA2 . 15303 1 1068 . 1 1 121 121 GLY C C 13 174.7 0.20 . 1 . . . . 121 GLY C . 15303 1 1069 . 1 1 121 121 GLY CA C 13 45.3 0.20 . 1 . . . . 121 GLY CA . 15303 1 1070 . 1 1 121 121 GLY N N 15 106.8 0.25 . 1 . . . . 121 GLY N . 15303 1 1071 . 1 1 122 122 GLY H H 1 7.62 0.01 . 1 . . . . 122 GLY HN . 15303 1 1072 . 1 1 122 122 GLY HA2 H 1 4.00 0.01 . 2 . . . . 122 GLY HA1 . 15303 1 1073 . 1 1 122 122 GLY HA3 H 1 4.32 0.01 . 2 . . . . 122 GLY HA2 . 15303 1 1074 . 1 1 122 122 GLY C C 13 173.8 0.20 . 1 . . . . 122 GLY C . 15303 1 1075 . 1 1 122 122 GLY CA C 13 44.8 0.20 . 1 . . . . 122 GLY CA . 15303 1 1076 . 1 1 122 122 GLY N N 15 108.4 0.25 . 1 . . . . 122 GLY N . 15303 1 1077 . 1 1 123 123 GLU H H 1 8.49 0.01 . 1 . . . . 123 GLU HN . 15303 1 1078 . 1 1 123 123 GLU HA H 1 4.16 0.01 . 1 . . . . 123 GLU HA . 15303 1 1079 . 1 1 123 123 GLU HB2 H 1 2.00 0.01 . 2 . . . . 123 GLU HB2 . 15303 1 1080 . 1 1 123 123 GLU HB3 H 1 2.12 0.01 . 2 . . . . 123 GLU HB3 . 15303 1 1081 . 1 1 123 123 GLU HG2 H 1 2.33 0.01 . 2 . . . . 123 GLU HG2 . 15303 1 1082 . 1 1 123 123 GLU C C 13 177.7 0.20 . 1 . . . . 123 GLU C . 15303 1 1083 . 1 1 123 123 GLU CA C 13 57.9 0.20 . 1 . . . . 123 GLU CA . 15303 1 1084 . 1 1 123 123 GLU CB C 13 30.4 0.20 . 1 . . . . 123 GLU CB . 15303 1 1085 . 1 1 123 123 GLU N N 15 117.7 0.25 . 1 . . . . 123 GLU N . 15303 1 1086 . 1 1 124 124 ILE H H 1 7.89 0.01 . 1 . . . . 124 ILE HN . 15303 1 1087 . 1 1 124 124 ILE HA H 1 4.09 0.01 . 1 . . . . 124 ILE HA . 15303 1 1088 . 1 1 124 124 ILE HB H 1 1.83 0.01 . 1 . . . . 124 ILE HB . 15303 1 1089 . 1 1 124 124 ILE HD11 H 1 0.81 0.01 . 1 . . . . 124 ILE HD1 . 15303 1 1090 . 1 1 124 124 ILE HD12 H 1 0.81 0.01 . 1 . . . . 124 ILE HD1 . 15303 1 1091 . 1 1 124 124 ILE HD13 H 1 0.81 0.01 . 1 . . . . 124 ILE HD1 . 15303 1 1092 . 1 1 124 124 ILE HG12 H 1 1.59 0.01 . 2 . . . . 124 ILE HG12 . 15303 1 1093 . 1 1 124 124 ILE HG21 H 1 0.92 0.01 . 1 . . . . 124 ILE HG2 . 15303 1 1094 . 1 1 124 124 ILE HG22 H 1 0.92 0.01 . 1 . . . . 124 ILE HG2 . 15303 1 1095 . 1 1 124 124 ILE HG23 H 1 0.92 0.01 . 1 . . . . 124 ILE HG2 . 15303 1 1096 . 1 1 124 124 ILE C C 13 176.7 0.20 . 1 . . . . 124 ILE C . 15303 1 1097 . 1 1 124 124 ILE CA C 13 62.0 0.20 . 1 . . . . 124 ILE CA . 15303 1 1098 . 1 1 124 124 ILE CB C 13 37.5 0.20 . 1 . . . . 124 ILE CB . 15303 1 1099 . 1 1 124 124 ILE N N 15 119.9 0.25 . 1 . . . . 124 ILE N . 15303 1 1100 . 1 1 125 125 LYS H H 1 8.60 0.01 . 1 . . . . 125 LYS HN . 15303 1 1101 . 1 1 125 125 LYS HA H 1 4.59 0.01 . 1 . . . . 125 LYS HA . 15303 1 1102 . 1 1 125 125 LYS HB2 H 1 1.80 0.01 . 2 . . . . 125 LYS HB2 . 15303 1 1103 . 1 1 125 125 LYS HG2 H 1 1.57 0.01 . 2 . . . . 125 LYS HG2 . 15303 1 1104 . 1 1 125 125 LYS C C 13 174.4 0.20 . 1 . . . . 125 LYS C . 15303 1 1105 . 1 1 125 125 LYS CA C 13 55.6 0.20 . 1 . . . . 125 LYS CA . 15303 1 1106 . 1 1 125 125 LYS CB C 13 33.0 0.20 . 1 . . . . 125 LYS CB . 15303 1 1107 . 1 1 125 125 LYS N N 15 125.5 0.25 . 1 . . . . 125 LYS N . 15303 1 1108 . 1 1 126 126 THR H H 1 6.86 0.01 . 1 . . . . 126 THR HN . 15303 1 1109 . 1 1 126 126 THR HA H 1 4.94 0.01 . 1 . . . . 126 THR HA . 15303 1 1110 . 1 1 126 126 THR HB H 1 4.06 0.01 . 1 . . . . 126 THR HB . 15303 1 1111 . 1 1 126 126 THR HG21 H 1 0.91 0.01 . 1 . . . . 126 THR HG2 . 15303 1 1112 . 1 1 126 126 THR HG22 H 1 0.91 0.01 . 1 . . . . 126 THR HG2 . 15303 1 1113 . 1 1 126 126 THR HG23 H 1 0.91 0.01 . 1 . . . . 126 THR HG2 . 15303 1 1114 . 1 1 126 126 THR C C 13 172.0 0.20 . 1 . . . . 126 THR C . 15303 1 1115 . 1 1 126 126 THR CA C 13 62.1 0.20 . 1 . . . . 126 THR CA . 15303 1 1116 . 1 1 126 126 THR CB C 13 69.7 0.20 . 1 . . . . 126 THR CB . 15303 1 1117 . 1 1 126 126 THR N N 15 116.2 0.25 . 1 . . . . 126 THR N . 15303 1 1118 . 1 1 127 127 HIS H H 1 8.87 0.01 . 1 . . . . 127 HIS HN . 15303 1 1119 . 1 1 127 127 HIS HA H 1 5.47 0.01 . 1 . . . . 127 HIS HA . 15303 1 1120 . 1 1 127 127 HIS HB2 H 1 2.81 0.01 . 2 . . . . 127 HIS HB2 . 15303 1 1121 . 1 1 127 127 HIS C C 13 173.6 0.20 . 1 . . . . 127 HIS C . 15303 1 1122 . 1 1 127 127 HIS CA C 13 53.7 0.20 . 1 . . . . 127 HIS CA . 15303 1 1123 . 1 1 127 127 HIS CB C 13 35.3 0.20 . 1 . . . . 127 HIS CB . 15303 1 1124 . 1 1 127 127 HIS N N 15 125.9 0.25 . 1 . . . . 127 HIS N . 15303 1 1125 . 1 1 128 128 ILE H H 1 9.20 0.01 . 1 . . . . 128 ILE HN . 15303 1 1126 . 1 1 128 128 ILE HA H 1 4.89 0.01 . 1 . . . . 128 ILE HA . 15303 1 1127 . 1 1 128 128 ILE HB H 1 1.39 0.01 . 1 . . . . 128 ILE HB . 15303 1 1128 . 1 1 128 128 ILE HD11 H 1 -0.24 0.01 . 1 . . . . 128 ILE HD1 . 15303 1 1129 . 1 1 128 128 ILE HD12 H 1 -0.24 0.01 . 1 . . . . 128 ILE HD1 . 15303 1 1130 . 1 1 128 128 ILE HD13 H 1 -0.24 0.01 . 1 . . . . 128 ILE HD1 . 15303 1 1131 . 1 1 128 128 ILE HG21 H 1 0.92 0.01 . 1 . . . . 128 ILE HG2 . 15303 1 1132 . 1 1 128 128 ILE HG22 H 1 0.92 0.01 . 1 . . . . 128 ILE HG2 . 15303 1 1133 . 1 1 128 128 ILE HG23 H 1 0.92 0.01 . 1 . . . . 128 ILE HG2 . 15303 1 1134 . 1 1 128 128 ILE C C 13 171.1 0.20 . 1 . . . . 128 ILE C . 15303 1 1135 . 1 1 128 128 ILE CA C 13 58.9 0.20 . 1 . . . . 128 ILE CA . 15303 1 1136 . 1 1 128 128 ILE CB C 13 40.2 0.20 . 1 . . . . 128 ILE CB . 15303 1 1137 . 1 1 128 128 ILE N N 15 122.6 0.25 . 1 . . . . 128 ILE N . 15303 1 1138 . 1 1 129 129 LEU H H 1 9.07 0.01 . 1 . . . . 129 LEU HN . 15303 1 1139 . 1 1 129 129 LEU HA H 1 5.04 0.01 . 1 . . . . 129 LEU HA . 15303 1 1140 . 1 1 129 129 LEU HB2 H 1 1.17 0.01 . 2 . . . . 129 LEU HB2 . 15303 1 1141 . 1 1 129 129 LEU HD11 H 1 0.82 0.01 . 2 . . . . 129 LEU HD1 . 15303 1 1142 . 1 1 129 129 LEU HD12 H 1 0.82 0.01 . 2 . . . . 129 LEU HD1 . 15303 1 1143 . 1 1 129 129 LEU HD13 H 1 0.82 0.01 . 2 . . . . 129 LEU HD1 . 15303 1 1144 . 1 1 129 129 LEU HD21 H 1 0.55 0.01 . 2 . . . . 129 LEU HD2 . 15303 1 1145 . 1 1 129 129 LEU HD22 H 1 0.55 0.01 . 2 . . . . 129 LEU HD2 . 15303 1 1146 . 1 1 129 129 LEU HD23 H 1 0.55 0.01 . 2 . . . . 129 LEU HD2 . 15303 1 1147 . 1 1 129 129 LEU HG H 1 1.07 0.01 . 1 . . . . 129 LEU HG . 15303 1 1148 . 1 1 129 129 LEU C C 13 174.3 0.20 . 1 . . . . 129 LEU C . 15303 1 1149 . 1 1 129 129 LEU CA C 13 53.4 0.20 . 1 . . . . 129 LEU CA . 15303 1 1150 . 1 1 129 129 LEU CB C 13 43.6 0.20 . 1 . . . . 129 LEU CB . 15303 1 1151 . 1 1 129 129 LEU N N 15 128.8 0.25 . 1 . . . . 129 LEU N . 15303 1 1152 . 1 1 130 130 LEU H H 1 8.68 0.01 . 1 . . . . 130 LEU HN . 15303 1 1153 . 1 1 130 130 LEU HA H 1 4.64 0.01 . 1 . . . . 130 LEU HA . 15303 1 1154 . 1 1 130 130 LEU HB2 H 1 0.85 0.01 . 2 . . . . 130 LEU HB2 . 15303 1 1155 . 1 1 130 130 LEU HD11 H 1 0.14 0.01 . 2 . . . . 130 LEU HD1 . 15303 1 1156 . 1 1 130 130 LEU HD12 H 1 0.14 0.01 . 2 . . . . 130 LEU HD1 . 15303 1 1157 . 1 1 130 130 LEU HD13 H 1 0.14 0.01 . 2 . . . . 130 LEU HD1 . 15303 1 1158 . 1 1 130 130 LEU HD21 H 1 -0.13 0.01 . 2 . . . . 130 LEU HD2 . 15303 1 1159 . 1 1 130 130 LEU HD22 H 1 -0.13 0.01 . 2 . . . . 130 LEU HD2 . 15303 1 1160 . 1 1 130 130 LEU HD23 H 1 -0.13 0.01 . 2 . . . . 130 LEU HD2 . 15303 1 1161 . 1 1 130 130 LEU HG H 1 0.53 0.01 . 1 . . . . 130 LEU HG . 15303 1 1162 . 1 1 130 130 LEU C C 13 174.4 0.20 . 1 . . . . 130 LEU C . 15303 1 1163 . 1 1 130 130 LEU CA C 13 52.7 0.20 . 1 . . . . 130 LEU CA . 15303 1 1164 . 1 1 130 130 LEU CB C 13 41.6 0.20 . 1 . . . . 130 LEU CB . 15303 1 1165 . 1 1 130 130 LEU N N 15 123.2 0.25 . 1 . . . . 130 LEU N . 15303 1 1166 . 1 1 131 131 PHE H H 1 9.10 0.01 . 1 . . . . 131 PHE HN . 15303 1 1167 . 1 1 131 131 PHE HA H 1 4.63 0.01 . 1 . . . . 131 PHE HA . 15303 1 1168 . 1 1 131 131 PHE HB2 H 1 3.11 0.01 . 2 . . . . 131 PHE HB2 . 15303 1 1169 . 1 1 131 131 PHE HB3 H 1 2.81 0.01 . 2 . . . . 131 PHE HB3 . 15303 1 1170 . 1 1 131 131 PHE C C 13 173.6 0.20 . 1 . . . . 131 PHE C . 15303 1 1171 . 1 1 131 131 PHE CA C 13 56.8 0.20 . 1 . . . . 131 PHE CA . 15303 1 1172 . 1 1 131 131 PHE CB C 13 39.2 0.20 . 1 . . . . 131 PHE CB . 15303 1 1173 . 1 1 131 131 PHE N N 15 127.5 0.25 . 1 . . . . 131 PHE N . 15303 1 1174 . 1 1 132 132 LEU H H 1 9.00 0.01 . 1 . . . . 132 LEU HN . 15303 1 1175 . 1 1 132 132 LEU HA H 1 5.02 0.01 . 1 . . . . 132 LEU HA . 15303 1 1176 . 1 1 132 132 LEU HB2 H 1 1.98 0.01 . 2 . . . . 132 LEU HB2 . 15303 1 1177 . 1 1 132 132 LEU HD11 H 1 0.69 0.01 . 2 . . . . 132 LEU HD1 . 15303 1 1178 . 1 1 132 132 LEU HD12 H 1 0.69 0.01 . 2 . . . . 132 LEU HD1 . 15303 1 1179 . 1 1 132 132 LEU HD13 H 1 0.69 0.01 . 2 . . . . 132 LEU HD1 . 15303 1 1180 . 1 1 132 132 LEU HD21 H 1 0.15 0.01 . 2 . . . . 132 LEU HD2 . 15303 1 1181 . 1 1 132 132 LEU HD22 H 1 0.15 0.01 . 2 . . . . 132 LEU HD2 . 15303 1 1182 . 1 1 132 132 LEU HD23 H 1 0.15 0.01 . 2 . . . . 132 LEU HD2 . 15303 1 1183 . 1 1 132 132 LEU CA C 13 50.7 0.20 . 1 . . . . 132 LEU CA . 15303 1 1184 . 1 1 132 132 LEU CB C 13 44.4 0.20 . 1 . . . . 132 LEU CB . 15303 1 1185 . 1 1 132 132 LEU N N 15 127.1 0.25 . 1 . . . . 132 LEU N . 15303 1 1186 . 1 1 133 133 PRO HA H 1 4.77 0.01 . 1 . . . . 133 PRO HA . 15303 1 1187 . 1 1 133 133 PRO C C 13 179.1 0.20 . 1 . . . . 133 PRO C . 15303 1 1188 . 1 1 133 133 PRO CA C 13 62.3 0.20 . 1 . . . . 133 PRO CA . 15303 1 1189 . 1 1 133 133 PRO CB C 13 31.6 0.20 . 1 . . . . 133 PRO CB . 15303 1 1190 . 1 1 134 134 LYS H H 1 8.30 0.01 . 1 . . . . 134 LYS HN . 15303 1 1191 . 1 1 134 134 LYS HA H 1 4.07 0.01 . 1 . . . . 134 LYS HA . 15303 1 1192 . 1 1 134 134 LYS HB2 H 1 1.88 0.01 . 2 . . . . 134 LYS HB2 . 15303 1 1193 . 1 1 134 134 LYS HB3 H 1 1.72 0.01 . 2 . . . . 134 LYS HB3 . 15303 1 1194 . 1 1 134 134 LYS HG2 H 1 1.52 0.01 . 2 . . . . 134 LYS HG2 . 15303 1 1195 . 1 1 134 134 LYS C C 13 176.7 0.20 . 1 . . . . 134 LYS C . 15303 1 1196 . 1 1 134 134 LYS CA C 13 58.9 0.20 . 1 . . . . 134 LYS CA . 15303 1 1197 . 1 1 134 134 LYS CB C 13 32.0 0.20 . 1 . . . . 134 LYS CB . 15303 1 1198 . 1 1 134 134 LYS N N 15 123.9 0.25 . 1 . . . . 134 LYS N . 15303 1 1199 . 1 1 135 135 SER H H 1 7.61 0.01 . 1 . . . . 135 SER HN . 15303 1 1200 . 1 1 135 135 SER HA H 1 4.25 0.01 . 1 . . . . 135 SER HA . 15303 1 1201 . 1 1 135 135 SER HB2 H 1 3.77 0.01 . 2 . . . . 135 SER HB2 . 15303 1 1202 . 1 1 135 135 SER C C 13 175.2 0.20 . 1 . . . . 135 SER C . 15303 1 1203 . 1 1 135 135 SER CA C 13 58.2 0.20 . 1 . . . . 135 SER CA . 15303 1 1204 . 1 1 135 135 SER CB C 13 63.3 0.20 . 1 . . . . 135 SER CB . 15303 1 1205 . 1 1 135 135 SER N N 15 108.2 0.25 . 1 . . . . 135 SER N . 15303 1 1206 . 1 1 136 136 VAL H H 1 7.50 0.01 . 1 . . . . 136 VAL HN . 15303 1 1207 . 1 1 136 136 VAL HA H 1 4.21 0.01 . 1 . . . . 136 VAL HA . 15303 1 1208 . 1 1 136 136 VAL HB H 1 2.25 0.01 . 1 . . . . 136 VAL HB . 15303 1 1209 . 1 1 136 136 VAL HG11 H 1 1.22 0.01 . 2 . . . . 136 VAL HG1 . 15303 1 1210 . 1 1 136 136 VAL HG12 H 1 1.22 0.01 . 2 . . . . 136 VAL HG1 . 15303 1 1211 . 1 1 136 136 VAL HG13 H 1 1.22 0.01 . 2 . . . . 136 VAL HG1 . 15303 1 1212 . 1 1 136 136 VAL HG21 H 1 1.08 0.01 . 2 . . . . 136 VAL HG2 . 15303 1 1213 . 1 1 136 136 VAL HG22 H 1 1.08 0.01 . 2 . . . . 136 VAL HG2 . 15303 1 1214 . 1 1 136 136 VAL HG23 H 1 1.08 0.01 . 2 . . . . 136 VAL HG2 . 15303 1 1215 . 1 1 136 136 VAL C C 13 175.1 0.20 . 1 . . . . 136 VAL C . 15303 1 1216 . 1 1 136 136 VAL CA C 13 61.9 0.20 . 1 . . . . 136 VAL CA . 15303 1 1217 . 1 1 136 136 VAL CB C 13 32.6 0.20 . 1 . . . . 136 VAL CB . 15303 1 1218 . 1 1 136 136 VAL N N 15 122.8 0.25 . 1 . . . . 136 VAL N . 15303 1 1219 . 1 1 137 137 SER H H 1 8.45 0.01 . 1 . . . . 137 SER HN . 15303 1 1220 . 1 1 137 137 SER HA H 1 4.30 0.01 . 1 . . . . 137 SER HA . 15303 1 1221 . 1 1 137 137 SER HB2 H 1 3.91 0.01 . 2 . . . . 137 SER HB2 . 15303 1 1222 . 1 1 137 137 SER C C 13 175.2 0.20 . 1 . . . . 137 SER C . 15303 1 1223 . 1 1 137 137 SER CA C 13 59.7 0.20 . 1 . . . . 137 SER CA . 15303 1 1224 . 1 1 137 137 SER CB C 13 63.0 0.20 . 1 . . . . 137 SER CB . 15303 1 1225 . 1 1 137 137 SER N N 15 120.8 0.25 . 1 . . . . 137 SER N . 15303 1 1226 . 1 1 138 138 ASP H H 1 8.98 0.01 . 1 . . . . 138 ASP HN . 15303 1 1227 . 1 1 138 138 ASP HA H 1 4.63 0.01 . 1 . . . . 138 ASP HA . 15303 1 1228 . 1 1 138 138 ASP HB2 H 1 2.79 0.01 . 2 . . . . 138 ASP HB2 . 15303 1 1229 . 1 1 138 138 ASP HB3 H 1 2.51 0.01 . 2 . . . . 138 ASP HB3 . 15303 1 1230 . 1 1 138 138 ASP C C 13 174.8 0.20 . 1 . . . . 138 ASP C . 15303 1 1231 . 1 1 138 138 ASP CA C 13 54.0 0.20 . 1 . . . . 138 ASP CA . 15303 1 1232 . 1 1 138 138 ASP CB C 13 39.3 0.20 . 1 . . . . 138 ASP CB . 15303 1 1233 . 1 1 138 138 ASP N N 15 122.4 0.25 . 1 . . . . 138 ASP N . 15303 1 1234 . 1 1 139 139 TYR H H 1 7.62 0.01 . 1 . . . . 139 TYR HN . 15303 1 1235 . 1 1 139 139 TYR HA H 1 3.53 0.01 . 1 . . . . 139 TYR HA . 15303 1 1236 . 1 1 139 139 TYR HB2 H 1 3.21 0.01 . 2 . . . . 139 TYR HB2 . 15303 1 1237 . 1 1 139 139 TYR HB3 H 1 2.93 0.01 . 2 . . . . 139 TYR HB3 . 15303 1 1238 . 1 1 139 139 TYR C C 13 176.4 0.20 . 1 . . . . 139 TYR C . 15303 1 1239 . 1 1 139 139 TYR CA C 13 62.8 0.20 . 1 . . . . 139 TYR CA . 15303 1 1240 . 1 1 139 139 TYR CB C 13 39.1 0.20 . 1 . . . . 139 TYR CB . 15303 1 1241 . 1 1 139 139 TYR N N 15 120.5 0.25 . 1 . . . . 139 TYR N . 15303 1 1242 . 1 1 140 140 ASP H H 1 8.69 0.01 . 1 . . . . 140 ASP HN . 15303 1 1243 . 1 1 140 140 ASP HA H 1 4.21 0.01 . 1 . . . . 140 ASP HA . 15303 1 1244 . 1 1 140 140 ASP HB2 H 1 2.64 0.01 . 2 . . . . 140 ASP HB2 . 15303 1 1245 . 1 1 140 140 ASP C C 13 179.3 0.20 . 1 . . . . 140 ASP C . 15303 1 1246 . 1 1 140 140 ASP CA C 13 57.2 0.20 . 1 . . . . 140 ASP CA . 15303 1 1247 . 1 1 140 140 ASP CB C 13 40.4 0.20 . 1 . . . . 140 ASP CB . 15303 1 1248 . 1 1 140 140 ASP N N 15 115.2 0.25 . 1 . . . . 140 ASP N . 15303 1 1249 . 1 1 141 141 GLY H H 1 7.80 0.01 . 1 . . . . 141 GLY HN . 15303 1 1250 . 1 1 141 141 GLY HA2 H 1 3.80 0.01 . 2 . . . . 141 GLY HA1 . 15303 1 1251 . 1 1 141 141 GLY HA3 H 1 4.07 0.01 . 2 . . . . 141 GLY HA2 . 15303 1 1252 . 1 1 141 141 GLY C C 13 176.8 0.20 . 1 . . . . 141 GLY C . 15303 1 1253 . 1 1 141 141 GLY CA C 13 47.0 0.20 . 1 . . . . 141 GLY CA . 15303 1 1254 . 1 1 141 141 GLY N N 15 110.3 0.25 . 1 . . . . 141 GLY N . 15303 1 1255 . 1 1 142 142 LYS H H 1 8.01 0.01 . 1 . . . . 142 LYS HN . 15303 1 1256 . 1 1 142 142 LYS HA H 1 4.03 0.01 . 1 . . . . 142 LYS HA . 15303 1 1257 . 1 1 142 142 LYS HB2 H 1 1.73 0.01 . 2 . . . . 142 LYS HB2 . 15303 1 1258 . 1 1 142 142 LYS HG2 H 1 1.46 0.01 . 2 . . . . 142 LYS HG2 . 15303 1 1259 . 1 1 142 142 LYS C C 13 179.0 0.20 . 1 . . . . 142 LYS C . 15303 1 1260 . 1 1 142 142 LYS CA C 13 59.7 0.20 . 1 . . . . 142 LYS CA . 15303 1 1261 . 1 1 142 142 LYS CB C 13 33.0 0.20 . 1 . . . . 142 LYS CB . 15303 1 1262 . 1 1 142 142 LYS N N 15 123.2 0.25 . 1 . . . . 142 LYS N . 15303 1 1263 . 1 1 143 143 LEU H H 1 8.09 0.01 . 1 . . . . 143 LEU HN . 15303 1 1264 . 1 1 143 143 LEU HA H 1 3.76 0.01 . 1 . . . . 143 LEU HA . 15303 1 1265 . 1 1 143 143 LEU HB2 H 1 1.51 0.01 . 2 . . . . 143 LEU HB2 . 15303 1 1266 . 1 1 143 143 LEU HD11 H 1 0.37 0.01 . 2 . . . . 143 LEU HD1 . 15303 1 1267 . 1 1 143 143 LEU HD12 H 1 0.37 0.01 . 2 . . . . 143 LEU HD1 . 15303 1 1268 . 1 1 143 143 LEU HD13 H 1 0.37 0.01 . 2 . . . . 143 LEU HD1 . 15303 1 1269 . 1 1 143 143 LEU HD21 H 1 0.14 0.01 . 2 . . . . 143 LEU HD2 . 15303 1 1270 . 1 1 143 143 LEU HD22 H 1 0.14 0.01 . 2 . . . . 143 LEU HD2 . 15303 1 1271 . 1 1 143 143 LEU HD23 H 1 0.14 0.01 . 2 . . . . 143 LEU HD2 . 15303 1 1272 . 1 1 143 143 LEU HG H 1 0.81 0.01 . 1 . . . . 143 LEU HG . 15303 1 1273 . 1 1 143 143 LEU C C 13 179.0 0.20 . 1 . . . . 143 LEU C . 15303 1 1274 . 1 1 143 143 LEU CA C 13 57.5 0.20 . 1 . . . . 143 LEU CA . 15303 1 1275 . 1 1 143 143 LEU CB C 13 40.6 0.20 . 1 . . . . 143 LEU CB . 15303 1 1276 . 1 1 143 143 LEU N N 15 120.0 0.25 . 1 . . . . 143 LEU N . 15303 1 1277 . 1 1 144 144 SER H H 1 8.35 0.01 . 1 . . . . 144 SER HN . 15303 1 1278 . 1 1 144 144 SER HA H 1 4.12 0.01 . 1 . . . . 144 SER HA . 15303 1 1279 . 1 1 144 144 SER HB2 H 1 4.06 0.01 . 2 . . . . 144 SER HB2 . 15303 1 1280 . 1 1 144 144 SER C C 13 177.3 0.20 . 1 . . . . 144 SER C . 15303 1 1281 . 1 1 144 144 SER CA C 13 61.9 0.20 . 1 . . . . 144 SER CA . 15303 1 1282 . 1 1 144 144 SER CB C 13 62.3 0.20 . 1 . . . . 144 SER CB . 15303 1 1283 . 1 1 144 144 SER N N 15 114.6 0.25 . 1 . . . . 144 SER N . 15303 1 1284 . 1 1 145 145 ASN H H 1 7.98 0.01 . 1 . . . . 145 ASN HN . 15303 1 1285 . 1 1 145 145 ASN HA H 1 4.46 0.01 . 1 . . . . 145 ASN HA . 15303 1 1286 . 1 1 145 145 ASN HB2 H 1 3.17 0.01 . 2 . . . . 145 ASN HB2 . 15303 1 1287 . 1 1 145 145 ASN HB3 H 1 2.56 0.01 . 2 . . . . 145 ASN HB3 . 15303 1 1288 . 1 1 145 145 ASN C C 13 176.3 0.20 . 1 . . . . 145 ASN C . 15303 1 1289 . 1 1 145 145 ASN CA C 13 56.6 0.20 . 1 . . . . 145 ASN CA . 15303 1 1290 . 1 1 145 145 ASN CB C 13 38.6 0.20 . 1 . . . . 145 ASN CB . 15303 1 1291 . 1 1 145 145 ASN N N 15 121.6 0.25 . 1 . . . . 145 ASN N . 15303 1 1292 . 1 1 146 146 PHE H H 1 7.71 0.01 . 1 . . . . 146 PHE HN . 15303 1 1293 . 1 1 146 146 PHE HA H 1 4.37 0.01 . 1 . . . . 146 PHE HA . 15303 1 1294 . 1 1 146 146 PHE HB2 H 1 3.31 0.01 . 2 . . . . 146 PHE HB2 . 15303 1 1295 . 1 1 146 146 PHE HB3 H 1 3.17 0.01 . 2 . . . . 146 PHE HB3 . 15303 1 1296 . 1 1 146 146 PHE C C 13 176.2 0.20 . 1 . . . . 146 PHE C . 15303 1 1297 . 1 1 146 146 PHE CA C 13 61.5 0.20 . 1 . . . . 146 PHE CA . 15303 1 1298 . 1 1 146 146 PHE CB C 13 40.5 0.20 . 1 . . . . 146 PHE CB . 15303 1 1299 . 1 1 146 146 PHE N N 15 121.8 0.25 . 1 . . . . 146 PHE N . 15303 1 1300 . 1 1 147 147 LYS H H 1 8.51 0.01 . 1 . . . . 147 LYS HN . 15303 1 1301 . 1 1 147 147 LYS HA H 1 3.62 0.01 . 1 . . . . 147 LYS HA . 15303 1 1302 . 1 1 147 147 LYS HB2 H 1 1.96 0.01 . 2 . . . . 147 LYS HB2 . 15303 1 1303 . 1 1 147 147 LYS HB3 H 1 1.86 0.01 . 2 . . . . 147 LYS HB3 . 15303 1 1304 . 1 1 147 147 LYS HG2 H 1 1.48 0.01 . 2 . . . . 147 LYS HG2 . 15303 1 1305 . 1 1 147 147 LYS C C 13 178.2 0.20 . 1 . . . . 147 LYS C . 15303 1 1306 . 1 1 147 147 LYS CA C 13 59.6 0.20 . 1 . . . . 147 LYS CA . 15303 1 1307 . 1 1 147 147 LYS CB C 13 32.4 0.20 . 1 . . . . 147 LYS CB . 15303 1 1308 . 1 1 147 147 LYS N N 15 117.7 0.25 . 1 . . . . 147 LYS N . 15303 1 1309 . 1 1 148 148 THR H H 1 8.28 0.01 . 1 . . . . 148 THR HN . 15303 1 1310 . 1 1 148 148 THR HA H 1 3.87 0.01 . 1 . . . . 148 THR HA . 15303 1 1311 . 1 1 148 148 THR HB H 1 4.23 0.01 . 1 . . . . 148 THR HB . 15303 1 1312 . 1 1 148 148 THR HG21 H 1 1.14 0.01 . 1 . . . . 148 THR HG2 . 15303 1 1313 . 1 1 148 148 THR HG22 H 1 1.14 0.01 . 1 . . . . 148 THR HG2 . 15303 1 1314 . 1 1 148 148 THR HG23 H 1 1.14 0.01 . 1 . . . . 148 THR HG2 . 15303 1 1315 . 1 1 148 148 THR C C 13 177.2 0.20 . 1 . . . . 148 THR C . 15303 1 1316 . 1 1 148 148 THR CA C 13 66.6 0.20 . 1 . . . . 148 THR CA . 15303 1 1317 . 1 1 148 148 THR CB C 13 68.2 0.20 . 1 . . . . 148 THR CB . 15303 1 1318 . 1 1 148 148 THR N N 15 116.2 0.25 . 1 . . . . 148 THR N . 15303 1 1319 . 1 1 149 149 ALA H H 1 7.57 0.01 . 1 . . . . 149 ALA HN . 15303 1 1320 . 1 1 149 149 ALA HA H 1 4.03 0.01 . 1 . . . . 149 ALA HA . 15303 1 1321 . 1 1 149 149 ALA HB1 H 1 1.65 0.01 . 1 . . . . 149 ALA HB . 15303 1 1322 . 1 1 149 149 ALA HB2 H 1 1.65 0.01 . 1 . . . . 149 ALA HB . 15303 1 1323 . 1 1 149 149 ALA HB3 H 1 1.65 0.01 . 1 . . . . 149 ALA HB . 15303 1 1324 . 1 1 149 149 ALA C C 13 177.7 0.20 . 1 . . . . 149 ALA C . 15303 1 1325 . 1 1 149 149 ALA CA C 13 54.9 0.20 . 1 . . . . 149 ALA CA . 15303 1 1326 . 1 1 149 149 ALA CB C 13 18.7 0.20 . 1 . . . . 149 ALA CB . 15303 1 1327 . 1 1 149 149 ALA N N 15 124.0 0.25 . 1 . . . . 149 ALA N . 15303 1 1328 . 1 1 150 150 ALA H H 1 7.36 0.01 . 1 . . . . 150 ALA HN . 15303 1 1329 . 1 1 150 150 ALA HA H 1 1.86 0.01 . 1 . . . . 150 ALA HA . 15303 1 1330 . 1 1 150 150 ALA HB1 H 1 0.66 0.01 . 1 . . . . 150 ALA HB . 15303 1 1331 . 1 1 150 150 ALA HB2 H 1 0.66 0.01 . 1 . . . . 150 ALA HB . 15303 1 1332 . 1 1 150 150 ALA HB3 H 1 0.66 0.01 . 1 . . . . 150 ALA HB . 15303 1 1333 . 1 1 150 150 ALA C C 13 180.6 0.20 . 1 . . . . 150 ALA C . 15303 1 1334 . 1 1 150 150 ALA CA C 13 53.9 0.20 . 1 . . . . 150 ALA CA . 15303 1 1335 . 1 1 150 150 ALA CB C 13 19.5 0.20 . 1 . . . . 150 ALA CB . 15303 1 1336 . 1 1 150 150 ALA N N 15 119.7 0.25 . 1 . . . . 150 ALA N . 15303 1 1337 . 1 1 151 151 GLU H H 1 7.05 0.01 . 1 . . . . 151 GLU HN . 15303 1 1338 . 1 1 151 151 GLU HA H 1 3.68 0.01 . 1 . . . . 151 GLU HA . 15303 1 1339 . 1 1 151 151 GLU HB2 H 1 2.06 0.01 . 2 . . . . 151 GLU HB2 . 15303 1 1340 . 1 1 151 151 GLU HG2 H 1 2.26 0.01 . 2 . . . . 151 GLU HG2 . 15303 1 1341 . 1 1 151 151 GLU HG3 H 1 2.50 0.01 . 2 . . . . 151 GLU HG3 . 15303 1 1342 . 1 1 151 151 GLU C C 13 178.5 0.20 . 1 . . . . 151 GLU C . 15303 1 1343 . 1 1 151 151 GLU CA C 13 59.0 0.20 . 1 . . . . 151 GLU CA . 15303 1 1344 . 1 1 151 151 GLU CB C 13 30.0 0.20 . 1 . . . . 151 GLU CB . 15303 1 1345 . 1 1 151 151 GLU N N 15 114.2 0.25 . 1 . . . . 151 GLU N . 15303 1 1346 . 1 1 152 152 SER H H 1 7.51 0.01 . 1 . . . . 152 SER HN . 15303 1 1347 . 1 1 152 152 SER HA H 1 4.16 0.01 . 1 . . . . 152 SER HA . 15303 1 1348 . 1 1 152 152 SER HB2 H 1 3.16 0.01 . 2 . . . . 152 SER HB2 . 15303 1 1349 . 1 1 152 152 SER HB3 H 1 3.53 0.01 . 2 . . . . 152 SER HB3 . 15303 1 1350 . 1 1 152 152 SER C C 13 173.4 0.20 . 1 . . . . 152 SER C . 15303 1 1351 . 1 1 152 152 SER CA C 13 60.6 0.20 . 1 . . . . 152 SER CA . 15303 1 1352 . 1 1 152 152 SER CB C 13 63.5 0.20 . 1 . . . . 152 SER CB . 15303 1 1353 . 1 1 152 152 SER N N 15 111.9 0.25 . 1 . . . . 152 SER N . 15303 1 1354 . 1 1 153 153 PHE H H 1 7.24 0.01 . 1 . . . . 153 PHE HN . 15303 1 1355 . 1 1 153 153 PHE HA H 1 4.75 0.01 . 1 . . . . 153 PHE HA . 15303 1 1356 . 1 1 153 153 PHE HB2 H 1 2.59 0.01 . 2 . . . . 153 PHE HB2 . 15303 1 1357 . 1 1 153 153 PHE HB3 H 1 3.61 0.01 . 2 . . . . 153 PHE HB3 . 15303 1 1358 . 1 1 153 153 PHE C C 13 174.6 0.20 . 1 . . . . 153 PHE C . 15303 1 1359 . 1 1 153 153 PHE CA C 13 57.2 0.20 . 1 . . . . 153 PHE CA . 15303 1 1360 . 1 1 153 153 PHE CB C 13 41.3 0.20 . 1 . . . . 153 PHE CB . 15303 1 1361 . 1 1 153 153 PHE N N 15 115.8 0.25 . 1 . . . . 153 PHE N . 15303 1 1362 . 1 1 154 154 LYS H H 1 7.32 0.01 . 1 . . . . 154 LYS HN . 15303 1 1363 . 1 1 154 154 LYS HA H 1 4.38 0.01 . 1 . . . . 154 LYS HA . 15303 1 1364 . 1 1 154 154 LYS HB2 H 1 1.65 0.01 . 2 . . . . 154 LYS HB2 . 15303 1 1365 . 1 1 154 154 LYS HB3 H 1 1.77 0.01 . 2 . . . . 154 LYS HB3 . 15303 1 1366 . 1 1 154 154 LYS HG2 H 1 1.34 0.01 . 2 . . . . 154 LYS HG2 . 15303 1 1367 . 1 1 154 154 LYS HG3 H 1 1.50 0.01 . 2 . . . . 154 LYS HG3 . 15303 1 1368 . 1 1 154 154 LYS C C 13 178.2 0.20 . 1 . . . . 154 LYS C . 15303 1 1369 . 1 1 154 154 LYS CA C 13 58.5 0.20 . 1 . . . . 154 LYS CA . 15303 1 1370 . 1 1 154 154 LYS CB C 13 31.9 0.20 . 1 . . . . 154 LYS CB . 15303 1 1371 . 1 1 154 154 LYS N N 15 124.0 0.25 . 1 . . . . 154 LYS N . 15303 1 1372 . 1 1 155 155 GLY H H 1 9.72 0.01 . 1 . . . . 155 GLY HN . 15303 1 1373 . 1 1 155 155 GLY HA2 H 1 3.62 0.01 . 2 . . . . 155 GLY HA1 . 15303 1 1374 . 1 1 155 155 GLY HA3 H 1 4.29 0.01 . 2 . . . . 155 GLY HA2 . 15303 1 1375 . 1 1 155 155 GLY C C 13 173.2 0.20 . 1 . . . . 155 GLY C . 15303 1 1376 . 1 1 155 155 GLY CA C 13 45.5 0.20 . 1 . . . . 155 GLY CA . 15303 1 1377 . 1 1 155 155 GLY N N 15 115.4 0.25 . 1 . . . . 155 GLY N . 15303 1 1378 . 1 1 156 156 LYS H H 1 8.40 0.01 . 1 . . . . 156 LYS HN . 15303 1 1379 . 1 1 156 156 LYS HA H 1 4.63 0.01 . 1 . . . . 156 LYS HA . 15303 1 1380 . 1 1 156 156 LYS HB2 H 1 1.85 0.01 . 2 . . . . 156 LYS HB2 . 15303 1 1381 . 1 1 156 156 LYS HB3 H 1 1.98 0.01 . 2 . . . . 156 LYS HB3 . 15303 1 1382 . 1 1 156 156 LYS HG2 H 1 1.49 0.01 . 2 . . . . 156 LYS HG2 . 15303 1 1383 . 1 1 156 156 LYS C C 13 175.0 0.20 . 1 . . . . 156 LYS C . 15303 1 1384 . 1 1 156 156 LYS CA C 13 57.1 0.20 . 1 . . . . 156 LYS CA . 15303 1 1385 . 1 1 156 156 LYS CB C 13 35.8 0.20 . 1 . . . . 156 LYS CB . 15303 1 1386 . 1 1 156 156 LYS N N 15 118.7 0.25 . 1 . . . . 156 LYS N . 15303 1 1387 . 1 1 157 157 ILE H H 1 7.89 0.01 . 1 . . . . 157 ILE HN . 15303 1 1388 . 1 1 157 157 ILE HA H 1 4.33 0.01 . 1 . . . . 157 ILE HA . 15303 1 1389 . 1 1 157 157 ILE HB H 1 1.60 0.01 . 1 . . . . 157 ILE HB . 15303 1 1390 . 1 1 157 157 ILE HD11 H 1 0.40 0.01 . 1 . . . . 157 ILE HD1 . 15303 1 1391 . 1 1 157 157 ILE HD12 H 1 0.40 0.01 . 1 . . . . 157 ILE HD1 . 15303 1 1392 . 1 1 157 157 ILE HD13 H 1 0.40 0.01 . 1 . . . . 157 ILE HD1 . 15303 1 1393 . 1 1 157 157 ILE HG21 H 1 0.89 0.01 . 1 . . . . 157 ILE HG2 . 15303 1 1394 . 1 1 157 157 ILE HG22 H 1 0.89 0.01 . 1 . . . . 157 ILE HG2 . 15303 1 1395 . 1 1 157 157 ILE HG23 H 1 0.89 0.01 . 1 . . . . 157 ILE HG2 . 15303 1 1396 . 1 1 157 157 ILE C C 13 175.0 0.20 . 1 . . . . 157 ILE C . 15303 1 1397 . 1 1 157 157 ILE CA C 13 60.4 0.20 . 1 . . . . 157 ILE CA . 15303 1 1398 . 1 1 157 157 ILE CB C 13 43.6 0.20 . 1 . . . . 157 ILE CB . 15303 1 1399 . 1 1 157 157 ILE N N 15 116.6 0.25 . 1 . . . . 157 ILE N . 15303 1 1400 . 1 1 158 158 LEU H H 1 8.30 0.01 . 1 . . . . 158 LEU HN . 15303 1 1401 . 1 1 158 158 LEU HA H 1 4.84 0.01 . 1 . . . . 158 LEU HA . 15303 1 1402 . 1 1 158 158 LEU HB2 H 1 1.57 0.01 . 2 . . . . 158 LEU HB2 . 15303 1 1403 . 1 1 158 158 LEU HB3 H 1 1.75 0.01 . 2 . . . . 158 LEU HB3 . 15303 1 1404 . 1 1 158 158 LEU HD11 H 1 0.82 0.01 . 2 . . . . 158 LEU HD1 . 15303 1 1405 . 1 1 158 158 LEU HD12 H 1 0.82 0.01 . 2 . . . . 158 LEU HD1 . 15303 1 1406 . 1 1 158 158 LEU HD13 H 1 0.82 0.01 . 2 . . . . 158 LEU HD1 . 15303 1 1407 . 1 1 158 158 LEU HD21 H 1 0.97 0.01 . 2 . . . . 158 LEU HD2 . 15303 1 1408 . 1 1 158 158 LEU HD22 H 1 0.97 0.01 . 2 . . . . 158 LEU HD2 . 15303 1 1409 . 1 1 158 158 LEU HD23 H 1 0.97 0.01 . 2 . . . . 158 LEU HD2 . 15303 1 1410 . 1 1 158 158 LEU C C 13 175.0 0.20 . 1 . . . . 158 LEU C . 15303 1 1411 . 1 1 158 158 LEU CA C 13 54.5 0.20 . 1 . . . . 158 LEU CA . 15303 1 1412 . 1 1 158 158 LEU CB C 13 43.3 0.20 . 1 . . . . 158 LEU CB . 15303 1 1413 . 1 1 158 158 LEU N N 15 129.8 0.25 . 1 . . . . 158 LEU N . 15303 1 1414 . 1 1 159 159 PHE H H 1 9.31 0.01 . 1 . . . . 159 PHE HN . 15303 1 1415 . 1 1 159 159 PHE HA H 1 4.89 0.01 . 1 . . . . 159 PHE HA . 15303 1 1416 . 1 1 159 159 PHE HB2 H 1 2.22 0.01 . 2 . . . . 159 PHE HB2 . 15303 1 1417 . 1 1 159 159 PHE HB3 H 1 3.52 0.01 . 2 . . . . 159 PHE HB3 . 15303 1 1418 . 1 1 159 159 PHE C C 13 178.5 0.20 . 1 . . . . 159 PHE C . 15303 1 1419 . 1 1 159 159 PHE CA C 13 56.6 0.20 . 1 . . . . 159 PHE CA . 15303 1 1420 . 1 1 159 159 PHE CB C 13 39.1 0.20 . 1 . . . . 159 PHE CB . 15303 1 1421 . 1 1 159 159 PHE N N 15 130.0 0.25 . 1 . . . . 159 PHE N . 15303 1 1422 . 1 1 160 160 ILE H H 1 9.13 0.01 . 1 . . . . 160 ILE HN . 15303 1 1423 . 1 1 160 160 ILE HA H 1 5.47 0.01 . 1 . . . . 160 ILE HA . 15303 1 1424 . 1 1 160 160 ILE HB H 1 1.72 0.01 . 1 . . . . 160 ILE HB . 15303 1 1425 . 1 1 160 160 ILE HD11 H 1 0.82 0.01 . 1 . . . . 160 ILE HD1 . 15303 1 1426 . 1 1 160 160 ILE HD12 H 1 0.82 0.01 . 1 . . . . 160 ILE HD1 . 15303 1 1427 . 1 1 160 160 ILE HD13 H 1 0.82 0.01 . 1 . . . . 160 ILE HD1 . 15303 1 1428 . 1 1 160 160 ILE HG21 H 1 0.92 0.01 . 1 . . . . 160 ILE HG2 . 15303 1 1429 . 1 1 160 160 ILE HG22 H 1 0.92 0.01 . 1 . . . . 160 ILE HG2 . 15303 1 1430 . 1 1 160 160 ILE HG23 H 1 0.92 0.01 . 1 . . . . 160 ILE HG2 . 15303 1 1431 . 1 1 160 160 ILE C C 13 174.5 0.20 . 1 . . . . 160 ILE C . 15303 1 1432 . 1 1 160 160 ILE CA C 13 58.7 0.20 . 1 . . . . 160 ILE CA . 15303 1 1433 . 1 1 160 160 ILE CB C 13 42.0 0.20 . 1 . . . . 160 ILE CB . 15303 1 1434 . 1 1 160 160 ILE N N 15 124.1 0.25 . 1 . . . . 160 ILE N . 15303 1 1435 . 1 1 161 161 PHE H H 1 8.92 0.01 . 1 . . . . 161 PHE HN . 15303 1 1436 . 1 1 161 161 PHE HA H 1 5.78 0.01 . 1 . . . . 161 PHE HA . 15303 1 1437 . 1 1 161 161 PHE HB2 H 1 2.64 0.01 . 2 . . . . 161 PHE HB2 . 15303 1 1438 . 1 1 161 161 PHE HB3 H 1 2.85 0.01 . 2 . . . . 161 PHE HB3 . 15303 1 1439 . 1 1 161 161 PHE C C 13 172.8 0.20 . 1 . . . . 161 PHE C . 15303 1 1440 . 1 1 161 161 PHE CA C 13 54.5 0.20 . 1 . . . . 161 PHE CA . 15303 1 1441 . 1 1 161 161 PHE CB C 13 42.7 0.20 . 1 . . . . 161 PHE CB . 15303 1 1442 . 1 1 161 161 PHE N N 15 122.6 0.25 . 1 . . . . 161 PHE N . 15303 1 1443 . 1 1 162 162 ILE H H 1 8.78 0.01 . 1 . . . . 162 ILE HN . 15303 1 1444 . 1 1 162 162 ILE HA H 1 4.31 0.01 . 1 . . . . 162 ILE HA . 15303 1 1445 . 1 1 162 162 ILE HD11 H 1 0.48 0.01 . 1 . . . . 162 ILE HD1 . 15303 1 1446 . 1 1 162 162 ILE HD12 H 1 0.48 0.01 . 1 . . . . 162 ILE HD1 . 15303 1 1447 . 1 1 162 162 ILE HD13 H 1 0.48 0.01 . 1 . . . . 162 ILE HD1 . 15303 1 1448 . 1 1 162 162 ILE HG21 H 1 1.15 0.01 . 1 . . . . 162 ILE HG2 . 15303 1 1449 . 1 1 162 162 ILE HG22 H 1 1.15 0.01 . 1 . . . . 162 ILE HG2 . 15303 1 1450 . 1 1 162 162 ILE HG23 H 1 1.15 0.01 . 1 . . . . 162 ILE HG2 . 15303 1 1451 . 1 1 162 162 ILE C C 13 174.0 0.20 . 1 . . . . 162 ILE C . 15303 1 1452 . 1 1 162 162 ILE CA C 13 59.6 0.20 . 1 . . . . 162 ILE CA . 15303 1 1453 . 1 1 162 162 ILE CB C 13 42.3 0.20 . 1 . . . . 162 ILE CB . 15303 1 1454 . 1 1 162 162 ILE N N 15 121.4 0.25 . 1 . . . . 162 ILE N . 15303 1 1455 . 1 1 163 163 ASP H H 1 8.41 0.01 . 1 . . . . 163 ASP HN . 15303 1 1456 . 1 1 163 163 ASP HA H 1 5.37 0.01 . 1 . . . . 163 ASP HA . 15303 1 1457 . 1 1 163 163 ASP HB2 H 1 2.80 0.01 . 2 . . . . 163 ASP HB2 . 15303 1 1458 . 1 1 163 163 ASP HB3 H 1 3.05 0.01 . 2 . . . . 163 ASP HB3 . 15303 1 1459 . 1 1 163 163 ASP C C 13 178.3 0.20 . 1 . . . . 163 ASP C . 15303 1 1460 . 1 1 163 163 ASP CA C 13 52.6 0.20 . 1 . . . . 163 ASP CA . 15303 1 1461 . 1 1 163 163 ASP CB C 13 40.5 0.20 . 1 . . . . 163 ASP CB . 15303 1 1462 . 1 1 163 163 ASP N N 15 123.8 0.25 . 1 . . . . 163 ASP N . 15303 1 1463 . 1 1 164 164 SER H H 1 7.47 0.01 . 1 . . . . 164 SER HN . 15303 1 1464 . 1 1 164 164 SER HA H 1 3.99 0.01 . 1 . . . . 164 SER HA . 15303 1 1465 . 1 1 164 164 SER HB2 H 1 3.59 0.01 . 2 . . . . 164 SER HB2 . 15303 1 1466 . 1 1 164 164 SER HB3 H 1 4.44 0.01 . 2 . . . . 164 SER HB3 . 15303 1 1467 . 1 1 164 164 SER C C 13 173.9 0.20 . 1 . . . . 164 SER C . 15303 1 1468 . 1 1 164 164 SER CA C 13 60.5 0.20 . 1 . . . . 164 SER CA . 15303 1 1469 . 1 1 164 164 SER CB C 13 64.5 0.20 . 1 . . . . 164 SER CB . 15303 1 1470 . 1 1 164 164 SER N N 15 124.0 0.25 . 1 . . . . 164 SER N . 15303 1 1471 . 1 1 165 165 ASP H H 1 8.36 0.01 . 1 . . . . 165 ASP HN . 15303 1 1472 . 1 1 165 165 ASP HA H 1 4.67 0.01 . 1 . . . . 165 ASP HA . 15303 1 1473 . 1 1 165 165 ASP HB2 H 1 2.70 0.01 . 2 . . . . 165 ASP HB2 . 15303 1 1474 . 1 1 165 165 ASP HB3 H 1 3.33 0.01 . 2 . . . . 165 ASP HB3 . 15303 1 1475 . 1 1 165 165 ASP C C 13 177.4 0.20 . 1 . . . . 165 ASP C . 15303 1 1476 . 1 1 165 165 ASP CA C 13 55.6 0.20 . 1 . . . . 165 ASP CA . 15303 1 1477 . 1 1 165 165 ASP CB C 13 41.3 0.20 . 1 . . . . 165 ASP CB . 15303 1 1478 . 1 1 165 165 ASP N N 15 119.3 0.25 . 1 . . . . 165 ASP N . 15303 1 1479 . 1 1 166 166 HIS H H 1 7.26 0.01 . 1 . . . . 166 HIS HN . 15303 1 1480 . 1 1 166 166 HIS HA H 1 4.40 0.01 . 1 . . . . 166 HIS HA . 15303 1 1481 . 1 1 166 166 HIS HB2 H 1 3.18 0.01 . 2 . . . . 166 HIS HB2 . 15303 1 1482 . 1 1 166 166 HIS CA C 13 58.3 0.20 . 1 . . . . 166 HIS CA . 15303 1 1483 . 1 1 166 166 HIS CB C 13 31.9 0.20 . 1 . . . . 166 HIS CB . 15303 1 1484 . 1 1 166 166 HIS N N 15 121.4 0.25 . 1 . . . . 166 HIS N . 15303 1 1485 . 1 1 167 167 THR HA H 1 4.05 0.01 . 1 . . . . 167 THR HA . 15303 1 1486 . 1 1 167 167 THR HB H 1 4.16 0.01 . 1 . . . . 167 THR HB . 15303 1 1487 . 1 1 167 167 THR HG21 H 1 1.29 0.01 . 1 . . . . 167 THR HG2 . 15303 1 1488 . 1 1 167 167 THR HG22 H 1 1.29 0.01 . 1 . . . . 167 THR HG2 . 15303 1 1489 . 1 1 167 167 THR HG23 H 1 1.29 0.01 . 1 . . . . 167 THR HG2 . 15303 1 1490 . 1 1 167 167 THR C C 13 176.8 0.20 . 1 . . . . 167 THR C . 15303 1 1491 . 1 1 167 167 THR CA C 13 66.0 0.20 . 1 . . . . 167 THR CA . 15303 1 1492 . 1 1 167 167 THR CB C 13 68.6 0.20 . 1 . . . . 167 THR CB . 15303 1 1493 . 1 1 168 168 ASP H H 1 11.03 0.01 . 1 . . . . 168 ASP HN . 15303 1 1494 . 1 1 168 168 ASP HA H 1 4.64 0.01 . 1 . . . . 168 ASP HA . 15303 1 1495 . 1 1 168 168 ASP HB2 H 1 2.62 0.01 . 2 . . . . 168 ASP HB2 . 15303 1 1496 . 1 1 168 168 ASP HB3 H 1 2.80 0.01 . 2 . . . . 168 ASP HB3 . 15303 1 1497 . 1 1 168 168 ASP C C 13 177.5 0.20 . 1 . . . . 168 ASP C . 15303 1 1498 . 1 1 168 168 ASP CA C 13 56.8 0.20 . 1 . . . . 168 ASP CA . 15303 1 1499 . 1 1 168 168 ASP CB C 13 39.8 0.20 . 1 . . . . 168 ASP CB . 15303 1 1500 . 1 1 168 168 ASP N N 15 124.9 0.25 . 1 . . . . 168 ASP N . 15303 1 1501 . 1 1 169 169 ASN H H 1 7.97 0.01 . 1 . . . . 169 ASN HN . 15303 1 1502 . 1 1 169 169 ASN HA H 1 5.26 0.01 . 1 . . . . 169 ASN HA . 15303 1 1503 . 1 1 169 169 ASN HB2 H 1 2.73 0.01 . 2 . . . . 169 ASN HB2 . 15303 1 1504 . 1 1 169 169 ASN HB3 H 1 2.88 0.01 . 2 . . . . 169 ASN HB3 . 15303 1 1505 . 1 1 169 169 ASN C C 13 176.1 0.20 . 1 . . . . 169 ASN C . 15303 1 1506 . 1 1 169 169 ASN CA C 13 52.7 0.20 . 1 . . . . 169 ASN CA . 15303 1 1507 . 1 1 169 169 ASN CB C 13 38.6 0.20 . 1 . . . . 169 ASN CB . 15303 1 1508 . 1 1 169 169 ASN N N 15 114.6 0.25 . 1 . . . . 169 ASN N . 15303 1 1509 . 1 1 170 170 GLN H H 1 7.66 0.01 . 1 . . . . 170 GLN HN . 15303 1 1510 . 1 1 170 170 GLN HA H 1 4.02 0.01 . 1 . . . . 170 GLN HA . 15303 1 1511 . 1 1 170 170 GLN HB2 H 1 2.27 0.01 . 2 . . . . 170 GLN HB2 . 15303 1 1512 . 1 1 170 170 GLN HG2 H 1 2.54 0.01 . 2 . . . . 170 GLN HG2 . 15303 1 1513 . 1 1 170 170 GLN C C 13 178.1 0.20 . 1 . . . . 170 GLN C . 15303 1 1514 . 1 1 170 170 GLN CA C 13 59.5 0.20 . 1 . . . . 170 GLN CA . 15303 1 1515 . 1 1 170 170 GLN CB C 13 28.0 0.20 . 1 . . . . 170 GLN CB . 15303 1 1516 . 1 1 170 170 GLN N N 15 121.4 0.25 . 1 . . . . 170 GLN N . 15303 1 1517 . 1 1 171 171 ARG H H 1 8.57 0.01 . 1 . . . . 171 ARG HN . 15303 1 1518 . 1 1 171 171 ARG HA H 1 4.25 0.01 . 1 . . . . 171 ARG HA . 15303 1 1519 . 1 1 171 171 ARG HB2 H 1 1.94 0.01 . 2 . . . . 171 ARG HB2 . 15303 1 1520 . 1 1 171 171 ARG HG2 H 1 1.67 0.01 . 2 . . . . 171 ARG HG2 . 15303 1 1521 . 1 1 171 171 ARG C C 13 178.7 0.20 . 1 . . . . 171 ARG C . 15303 1 1522 . 1 1 171 171 ARG CA C 13 58.7 0.20 . 1 . . . . 171 ARG CA . 15303 1 1523 . 1 1 171 171 ARG CB C 13 29.1 0.20 . 1 . . . . 171 ARG CB . 15303 1 1524 . 1 1 171 171 ARG N N 15 117.5 0.25 . 1 . . . . 171 ARG N . 15303 1 1525 . 1 1 172 172 ILE H H 1 7.70 0.01 . 1 . . . . 172 ILE HN . 15303 1 1526 . 1 1 172 172 ILE HA H 1 4.01 0.01 . 1 . . . . 172 ILE HA . 15303 1 1527 . 1 1 172 172 ILE HB H 1 1.96 0.01 . 1 . . . . 172 ILE HB . 15303 1 1528 . 1 1 172 172 ILE HD11 H 1 0.96 0.01 . 1 . . . . 172 ILE HD1 . 15303 1 1529 . 1 1 172 172 ILE HD12 H 1 0.96 0.01 . 1 . . . . 172 ILE HD1 . 15303 1 1530 . 1 1 172 172 ILE HD13 H 1 0.96 0.01 . 1 . . . . 172 ILE HD1 . 15303 1 1531 . 1 1 172 172 ILE HG21 H 1 1.43 0.01 . 1 . . . . 172 ILE HG2 . 15303 1 1532 . 1 1 172 172 ILE HG22 H 1 1.43 0.01 . 1 . . . . 172 ILE HG2 . 15303 1 1533 . 1 1 172 172 ILE HG23 H 1 1.43 0.01 . 1 . . . . 172 ILE HG2 . 15303 1 1534 . 1 1 172 172 ILE C C 13 177.6 0.20 . 1 . . . . 172 ILE C . 15303 1 1535 . 1 1 172 172 ILE CA C 13 63.3 0.20 . 1 . . . . 172 ILE CA . 15303 1 1536 . 1 1 172 172 ILE CB C 13 37.0 0.20 . 1 . . . . 172 ILE CB . 15303 1 1537 . 1 1 172 172 ILE N N 15 121.0 0.25 . 1 . . . . 172 ILE N . 15303 1 1538 . 1 1 173 173 LEU H H 1 7.40 0.01 . 1 . . . . 173 LEU HN . 15303 1 1539 . 1 1 173 173 LEU HA H 1 3.74 0.01 . 1 . . . . 173 LEU HA . 15303 1 1540 . 1 1 173 173 LEU HB2 H 1 1.78 0.01 . 2 . . . . 173 LEU HB2 . 15303 1 1541 . 1 1 173 173 LEU HD11 H 1 0.60 0.01 . 2 . . . . 173 LEU HD1 . 15303 1 1542 . 1 1 173 173 LEU HD12 H 1 0.60 0.01 . 2 . . . . 173 LEU HD1 . 15303 1 1543 . 1 1 173 173 LEU HD13 H 1 0.60 0.01 . 2 . . . . 173 LEU HD1 . 15303 1 1544 . 1 1 173 173 LEU HD21 H 1 0.87 0.01 . 2 . . . . 173 LEU HD2 . 15303 1 1545 . 1 1 173 173 LEU HD22 H 1 0.87 0.01 . 2 . . . . 173 LEU HD2 . 15303 1 1546 . 1 1 173 173 LEU HD23 H 1 0.87 0.01 . 2 . . . . 173 LEU HD2 . 15303 1 1547 . 1 1 173 173 LEU HG H 1 1.46 0.01 . 1 . . . . 173 LEU HG . 15303 1 1548 . 1 1 173 173 LEU C C 13 179.5 0.20 . 1 . . . . 173 LEU C . 15303 1 1549 . 1 1 173 173 LEU CA C 13 60.5 0.20 . 1 . . . . 173 LEU CA . 15303 1 1550 . 1 1 173 173 LEU CB C 13 40.5 0.20 . 1 . . . . 173 LEU CB . 15303 1 1551 . 1 1 173 173 LEU N N 15 121.4 0.25 . 1 . . . . 173 LEU N . 15303 1 1552 . 1 1 174 174 GLU H H 1 8.03 0.01 . 1 . . . . 174 GLU HN . 15303 1 1553 . 1 1 174 174 GLU HA H 1 4.00 0.01 . 1 . . . . 174 GLU HA . 15303 1 1554 . 1 1 174 174 GLU HB2 H 1 2.10 0.01 . 2 . . . . 174 GLU HB2 . 15303 1 1555 . 1 1 174 174 GLU HB3 H 1 2.26 0.01 . 2 . . . . 174 GLU HB3 . 15303 1 1556 . 1 1 174 174 GLU HG2 H 1 2.44 0.01 . 2 . . . . 174 GLU HG2 . 15303 1 1557 . 1 1 174 174 GLU C C 13 180.2 0.20 . 1 . . . . 174 GLU C . 15303 1 1558 . 1 1 174 174 GLU CA C 13 59.2 0.20 . 1 . . . . 174 GLU CA . 15303 1 1559 . 1 1 174 174 GLU CB C 13 29.3 0.20 . 1 . . . . 174 GLU CB . 15303 1 1560 . 1 1 174 174 GLU N N 15 117.2 0.25 . 1 . . . . 174 GLU N . 15303 1 1561 . 1 1 175 175 PHE H H 1 8.00 0.01 . 1 . . . . 175 PHE HN . 15303 1 1562 . 1 1 175 175 PHE HA H 1 4.15 0.01 . 1 . . . . 175 PHE HA . 15303 1 1563 . 1 1 175 175 PHE HB2 H 1 3.11 0.01 . 2 . . . . 175 PHE HB2 . 15303 1 1564 . 1 1 175 175 PHE HB3 H 1 3.23 0.01 . 2 . . . . 175 PHE HB3 . 15303 1 1565 . 1 1 175 175 PHE C C 13 176.4 0.20 . 1 . . . . 175 PHE C . 15303 1 1566 . 1 1 175 175 PHE CA C 13 60.8 0.20 . 1 . . . . 175 PHE CA . 15303 1 1567 . 1 1 175 175 PHE CB C 13 38.7 0.20 . 1 . . . . 175 PHE CB . 15303 1 1568 . 1 1 175 175 PHE N N 15 122.0 0.25 . 1 . . . . 175 PHE N . 15303 1 1569 . 1 1 176 176 PHE H H 1 7.51 0.01 . 1 . . . . 176 PHE HN . 15303 1 1570 . 1 1 176 176 PHE HA H 1 4.11 0.01 . 1 . . . . 176 PHE HA . 15303 1 1571 . 1 1 176 176 PHE HB2 H 1 2.61 0.01 . 2 . . . . 176 PHE HB2 . 15303 1 1572 . 1 1 176 176 PHE HB3 H 1 3.21 0.01 . 2 . . . . 176 PHE HB3 . 15303 1 1573 . 1 1 176 176 PHE C C 13 175.0 0.20 . 1 . . . . 176 PHE C . 15303 1 1574 . 1 1 176 176 PHE CA C 13 59.3 0.20 . 1 . . . . 176 PHE CA . 15303 1 1575 . 1 1 176 176 PHE CB C 13 40.0 0.20 . 1 . . . . 176 PHE CB . 15303 1 1576 . 1 1 176 176 PHE N N 15 113.1 0.25 . 1 . . . . 176 PHE N . 15303 1 1577 . 1 1 177 177 GLY H H 1 8.03 0.01 . 1 . . . . 177 GLY HN . 15303 1 1578 . 1 1 177 177 GLY HA2 H 1 3.85 0.01 . 2 . . . . 177 GLY HA1 . 15303 1 1579 . 1 1 177 177 GLY C C 13 173.9 0.20 . 1 . . . . 177 GLY C . 15303 1 1580 . 1 1 177 177 GLY CA C 13 46.5 0.20 . 1 . . . . 177 GLY CA . 15303 1 1581 . 1 1 177 177 GLY N N 15 110.9 0.25 . 1 . . . . 177 GLY N . 15303 1 1582 . 1 1 178 178 LEU H H 1 7.73 0.01 . 1 . . . . 178 LEU HN . 15303 1 1583 . 1 1 178 178 LEU HA H 1 4.44 0.01 . 1 . . . . 178 LEU HA . 15303 1 1584 . 1 1 178 178 LEU HB2 H 1 1.02 0.01 . 2 . . . . 178 LEU HB2 . 15303 1 1585 . 1 1 178 178 LEU HD11 H 1 -0.13 0.01 . 2 . . . . 178 LEU HD1 . 15303 1 1586 . 1 1 178 178 LEU HD12 H 1 -0.13 0.01 . 2 . . . . 178 LEU HD1 . 15303 1 1587 . 1 1 178 178 LEU HD13 H 1 -0.13 0.01 . 2 . . . . 178 LEU HD1 . 15303 1 1588 . 1 1 178 178 LEU HD21 H 1 0.35 0.01 . 2 . . . . 178 LEU HD2 . 15303 1 1589 . 1 1 178 178 LEU HD22 H 1 0.35 0.01 . 2 . . . . 178 LEU HD2 . 15303 1 1590 . 1 1 178 178 LEU HD23 H 1 0.35 0.01 . 2 . . . . 178 LEU HD2 . 15303 1 1591 . 1 1 178 178 LEU HG H 1 0.86 0.01 . 1 . . . . 178 LEU HG . 15303 1 1592 . 1 1 178 178 LEU C C 13 175.8 0.20 . 1 . . . . 178 LEU C . 15303 1 1593 . 1 1 178 178 LEU CA C 13 53.5 0.20 . 1 . . . . 178 LEU CA . 15303 1 1594 . 1 1 178 178 LEU CB C 13 45.9 0.20 . 1 . . . . 178 LEU CB . 15303 1 1595 . 1 1 178 178 LEU N N 15 120.7 0.25 . 1 . . . . 178 LEU N . 15303 1 1596 . 1 1 179 179 LYS H H 1 8.17 0.01 . 1 . . . . 179 LYS HN . 15303 1 1597 . 1 1 179 179 LYS HA H 1 4.53 0.01 . 1 . . . . 179 LYS HA . 15303 1 1598 . 1 1 179 179 LYS HB3 H 1 2.07 0.01 . 2 . . . . 179 LYS HB3 . 15303 1 1599 . 1 1 179 179 LYS HG2 H 1 1.44 0.01 . 2 . . . . 179 LYS HG2 . 15303 1 1600 . 1 1 179 179 LYS C C 13 178.5 0.20 . 1 . . . . 179 LYS C . 15303 1 1601 . 1 1 179 179 LYS CA C 13 54.0 0.20 . 1 . . . . 179 LYS CA . 15303 1 1602 . 1 1 179 179 LYS CB C 13 34.1 0.20 . 1 . . . . 179 LYS CB . 15303 1 1603 . 1 1 179 179 LYS N N 15 119.5 0.25 . 1 . . . . 179 LYS N . 15303 1 1604 . 1 1 180 180 LYS H H 1 9.11 0.01 . 1 . . . . 180 LYS HN . 15303 1 1605 . 1 1 180 180 LYS HA H 1 3.82 0.01 . 1 . . . . 180 LYS HA . 15303 1 1606 . 1 1 180 180 LYS HB2 H 1 1.75 0.01 . 2 . . . . 180 LYS HB2 . 15303 1 1607 . 1 1 180 180 LYS HB3 H 1 1.91 0.01 . 2 . . . . 180 LYS HB3 . 15303 1 1608 . 1 1 180 180 LYS HG2 H 1 1.53 0.01 . 2 . . . . 180 LYS HG2 . 15303 1 1609 . 1 1 180 180 LYS C C 13 179.6 0.20 . 1 . . . . 180 LYS C . 15303 1 1610 . 1 1 180 180 LYS CA C 13 60.9 0.20 . 1 . . . . 180 LYS CA . 15303 1 1611 . 1 1 180 180 LYS CB C 13 32.1 0.20 . 1 . . . . 180 LYS CB . 15303 1 1612 . 1 1 180 180 LYS N N 15 124.2 0.25 . 1 . . . . 180 LYS N . 15303 1 1613 . 1 1 181 181 GLU H H 1 9.46 0.01 . 1 . . . . 181 GLU HN . 15303 1 1614 . 1 1 181 181 GLU HA H 1 4.22 0.01 . 1 . . . . 181 GLU HA . 15303 1 1615 . 1 1 181 181 GLU HB2 H 1 2.07 0.01 . 2 . . . . 181 GLU HB2 . 15303 1 1616 . 1 1 181 181 GLU HG2 H 1 2.29 0.01 . 2 . . . . 181 GLU HG2 . 15303 1 1617 . 1 1 181 181 GLU C C 13 176.7 0.20 . 1 . . . . 181 GLU C . 15303 1 1618 . 1 1 181 181 GLU CA C 13 58.7 0.20 . 1 . . . . 181 GLU CA . 15303 1 1619 . 1 1 181 181 GLU CB C 13 28.3 0.20 . 1 . . . . 181 GLU CB . 15303 1 1620 . 1 1 181 181 GLU N N 15 116.6 0.25 . 1 . . . . 181 GLU N . 15303 1 1621 . 1 1 182 182 GLU H H 1 7.66 0.01 . 1 . . . . 182 GLU HN . 15303 1 1622 . 1 1 182 182 GLU HA H 1 4.32 0.01 . 1 . . . . 182 GLU HA . 15303 1 1623 . 1 1 182 182 GLU HB2 H 1 2.07 0.01 . 2 . . . . 182 GLU HB2 . 15303 1 1624 . 1 1 182 182 GLU HG2 H 1 2.22 0.01 . 2 . . . . 182 GLU HG2 . 15303 1 1625 . 1 1 182 182 GLU C C 13 174.9 0.20 . 1 . . . . 182 GLU C . 15303 1 1626 . 1 1 182 182 GLU CA C 13 55.7 0.20 . 1 . . . . 182 GLU CA . 15303 1 1627 . 1 1 182 182 GLU CB C 13 30.6 0.20 . 1 . . . . 182 GLU CB . 15303 1 1628 . 1 1 182 182 GLU N N 15 118.3 0.25 . 1 . . . . 182 GLU N . 15303 1 1629 . 1 1 183 183 CYS H H 1 7.09 0.01 . 1 . . . . 183 CYS HN . 15303 1 1630 . 1 1 183 183 CYS HA H 1 4.27 0.01 . 1 . . . . 183 CYS HA . 15303 1 1631 . 1 1 183 183 CYS HB2 H 1 2.54 0.01 . 2 . . . . 183 CYS HB2 . 15303 1 1632 . 1 1 183 183 CYS HB3 H 1 3.00 0.01 . 2 . . . . 183 CYS HB3 . 15303 1 1633 . 1 1 183 183 CYS CA C 13 58.2 0.20 . 1 . . . . 183 CYS CA . 15303 1 1634 . 1 1 183 183 CYS CB C 13 27.4 0.20 . 1 . . . . 183 CYS CB . 15303 1 1635 . 1 1 183 183 CYS N N 15 117.7 0.25 . 1 . . . . 183 CYS N . 15303 1 1636 . 1 1 184 184 PRO HA H 1 5.37 0.01 . 1 . . . . 184 PRO HA . 15303 1 1637 . 1 1 184 184 PRO C C 13 174.3 0.20 . 1 . . . . 184 PRO C . 15303 1 1638 . 1 1 184 184 PRO CA C 13 61.5 0.20 . 1 . . . . 184 PRO CA . 15303 1 1639 . 1 1 184 184 PRO CB C 13 36.0 0.20 . 1 . . . . 184 PRO CB . 15303 1 1640 . 1 1 185 185 ALA H H 1 8.37 0.01 . 1 . . . . 185 ALA HN . 15303 1 1641 . 1 1 185 185 ALA HA H 1 4.79 0.01 . 1 . . . . 185 ALA HA . 15303 1 1642 . 1 1 185 185 ALA HB1 H 1 1.39 0.01 . 1 . . . . 185 ALA HB . 15303 1 1643 . 1 1 185 185 ALA HB2 H 1 1.39 0.01 . 1 . . . . 185 ALA HB . 15303 1 1644 . 1 1 185 185 ALA HB3 H 1 1.39 0.01 . 1 . . . . 185 ALA HB . 15303 1 1645 . 1 1 185 185 ALA C C 13 174.8 0.20 . 1 . . . . 185 ALA C . 15303 1 1646 . 1 1 185 185 ALA CA C 13 51.6 0.20 . 1 . . . . 185 ALA CA . 15303 1 1647 . 1 1 185 185 ALA CB C 13 23.4 0.20 . 1 . . . . 185 ALA CB . 15303 1 1648 . 1 1 185 185 ALA N N 15 123.0 0.25 . 1 . . . . 185 ALA N . 15303 1 1649 . 1 1 186 186 VAL H H 1 8.66 0.01 . 1 . . . . 186 VAL HN . 15303 1 1650 . 1 1 186 186 VAL HA H 1 5.71 0.01 . 1 . . . . 186 VAL HA . 15303 1 1651 . 1 1 186 186 VAL HB H 1 1.70 0.01 . 1 . . . . 186 VAL HB . 15303 1 1652 . 1 1 186 186 VAL HG11 H 1 0.81 0.01 . 2 . . . . 186 VAL HG1 . 15303 1 1653 . 1 1 186 186 VAL HG12 H 1 0.81 0.01 . 2 . . . . 186 VAL HG1 . 15303 1 1654 . 1 1 186 186 VAL HG13 H 1 0.81 0.01 . 2 . . . . 186 VAL HG1 . 15303 1 1655 . 1 1 186 186 VAL C C 13 176.5 0.20 . 1 . . . . 186 VAL C . 15303 1 1656 . 1 1 186 186 VAL CA C 13 59.3 0.20 . 1 . . . . 186 VAL CA . 15303 1 1657 . 1 1 186 186 VAL CB C 13 35.3 0.20 . 1 . . . . 186 VAL CB . 15303 1 1658 . 1 1 186 186 VAL N N 15 117.9 0.25 . 1 . . . . 186 VAL N . 15303 1 1659 . 1 1 187 187 ARG H H 1 8.91 0.01 . 1 . . . . 187 ARG HN . 15303 1 1660 . 1 1 187 187 ARG HA H 1 5.00 0.01 . 1 . . . . 187 ARG HA . 15303 1 1661 . 1 1 187 187 ARG HB2 H 1 1.72 0.01 . 2 . . . . 187 ARG HB2 . 15303 1 1662 . 1 1 187 187 ARG HG2 H 1 1.39 0.01 . 2 . . . . 187 ARG HG2 . 15303 1 1663 . 1 1 187 187 ARG C C 13 172.6 0.20 . 1 . . . . 187 ARG C . 15303 1 1664 . 1 1 187 187 ARG CA C 13 53.0 0.20 . 1 . . . . 187 ARG CA . 15303 1 1665 . 1 1 187 187 ARG CB C 13 35.9 0.20 . 1 . . . . 187 ARG CB . 15303 1 1666 . 1 1 187 187 ARG N N 15 123.0 0.25 . 1 . . . . 187 ARG N . 15303 1 1667 . 1 1 188 188 LEU H H 1 8.79 0.01 . 1 . . . . 188 LEU HN . 15303 1 1668 . 1 1 188 188 LEU HA H 1 5.42 0.01 . 1 . . . . 188 LEU HA . 15303 1 1669 . 1 1 188 188 LEU HB2 H 1 1.38 0.01 . 2 . . . . 188 LEU HB2 . 15303 1 1670 . 1 1 188 188 LEU HD11 H 1 -0.44 0.01 . 2 . . . . 188 LEU HD1 . 15303 1 1671 . 1 1 188 188 LEU HD12 H 1 -0.44 0.01 . 2 . . . . 188 LEU HD1 . 15303 1 1672 . 1 1 188 188 LEU HD13 H 1 -0.44 0.01 . 2 . . . . 188 LEU HD1 . 15303 1 1673 . 1 1 188 188 LEU HD21 H 1 -0.24 0.01 . 2 . . . . 188 LEU HD2 . 15303 1 1674 . 1 1 188 188 LEU HD22 H 1 -0.24 0.01 . 2 . . . . 188 LEU HD2 . 15303 1 1675 . 1 1 188 188 LEU HD23 H 1 -0.24 0.01 . 2 . . . . 188 LEU HD2 . 15303 1 1676 . 1 1 188 188 LEU HG H 1 1.18 0.01 . 1 . . . . 188 LEU HG . 15303 1 1677 . 1 1 188 188 LEU C C 13 174.6 0.20 . 1 . . . . 188 LEU C . 15303 1 1678 . 1 1 188 188 LEU CA C 13 54.3 0.20 . 1 . . . . 188 LEU CA . 15303 1 1679 . 1 1 188 188 LEU CB C 13 47.3 0.20 . 1 . . . . 188 LEU CB . 15303 1 1680 . 1 1 188 188 LEU N N 15 124.7 0.25 . 1 . . . . 188 LEU N . 15303 1 1681 . 1 1 189 189 ILE H H 1 9.59 0.01 . 1 . . . . 189 ILE HN . 15303 1 1682 . 1 1 189 189 ILE HA H 1 5.88 0.01 . 1 . . . . 189 ILE HA . 15303 1 1683 . 1 1 189 189 ILE HB H 1 1.96 0.01 . 1 . . . . 189 ILE HB . 15303 1 1684 . 1 1 189 189 ILE HD11 H 1 0.92 0.01 . 1 . . . . 189 ILE HD1 . 15303 1 1685 . 1 1 189 189 ILE HD12 H 1 0.92 0.01 . 1 . . . . 189 ILE HD1 . 15303 1 1686 . 1 1 189 189 ILE HD13 H 1 0.92 0.01 . 1 . . . . 189 ILE HD1 . 15303 1 1687 . 1 1 189 189 ILE HG21 H 1 1.15 0.01 . 1 . . . . 189 ILE HG2 . 15303 1 1688 . 1 1 189 189 ILE HG22 H 1 1.15 0.01 . 1 . . . . 189 ILE HG2 . 15303 1 1689 . 1 1 189 189 ILE HG23 H 1 1.15 0.01 . 1 . . . . 189 ILE HG2 . 15303 1 1690 . 1 1 189 189 ILE C C 13 173.5 0.20 . 1 . . . . 189 ILE C . 15303 1 1691 . 1 1 189 189 ILE CA C 13 58.4 0.20 . 1 . . . . 189 ILE CA . 15303 1 1692 . 1 1 189 189 ILE CB C 13 43.0 0.20 . 1 . . . . 189 ILE CB . 15303 1 1693 . 1 1 189 189 ILE N N 15 121.8 0.25 . 1 . . . . 189 ILE N . 15303 1 1694 . 1 1 190 190 THR H H 1 8.75 0.01 . 1 . . . . 190 THR HN . 15303 1 1695 . 1 1 190 190 THR HA H 1 5.36 0.01 . 1 . . . . 190 THR HA . 15303 1 1696 . 1 1 190 190 THR HB H 1 4.32 0.01 . 1 . . . . 190 THR HB . 15303 1 1697 . 1 1 190 190 THR HG21 H 1 1.40 0.01 . 1 . . . . 190 THR HG2 . 15303 1 1698 . 1 1 190 190 THR HG22 H 1 1.40 0.01 . 1 . . . . 190 THR HG2 . 15303 1 1699 . 1 1 190 190 THR HG23 H 1 1.40 0.01 . 1 . . . . 190 THR HG2 . 15303 1 1700 . 1 1 190 190 THR C C 13 174.3 0.20 . 1 . . . . 190 THR C . 15303 1 1701 . 1 1 190 190 THR CA C 13 58.8 0.20 . 1 . . . . 190 THR CA . 15303 1 1702 . 1 1 190 190 THR CB C 13 70.4 0.20 . 1 . . . . 190 THR CB . 15303 1 1703 . 1 1 190 190 THR N N 15 114.2 0.25 . 1 . . . . 190 THR N . 15303 1 1704 . 1 1 191 191 LEU H H 1 8.61 0.01 . 1 . . . . 191 LEU HN . 15303 1 1705 . 1 1 191 191 LEU HA H 1 4.64 0.01 . 1 . . . . 191 LEU HA . 15303 1 1706 . 1 1 191 191 LEU HB2 H 1 1.82 0.01 . 2 . . . . 191 LEU HB2 . 15303 1 1707 . 1 1 191 191 LEU HD11 H 1 0.89 0.01 . 2 . . . . 191 LEU HD1 . 15303 1 1708 . 1 1 191 191 LEU HD12 H 1 0.89 0.01 . 2 . . . . 191 LEU HD1 . 15303 1 1709 . 1 1 191 191 LEU HD13 H 1 0.89 0.01 . 2 . . . . 191 LEU HD1 . 15303 1 1710 . 1 1 191 191 LEU HG H 1 1.65 0.01 . 1 . . . . 191 LEU HG . 15303 1 1711 . 1 1 191 191 LEU C C 13 176.4 0.20 . 1 . . . . 191 LEU C . 15303 1 1712 . 1 1 191 191 LEU CA C 13 54.5 0.20 . 1 . . . . 191 LEU CA . 15303 1 1713 . 1 1 191 191 LEU CB C 13 42.3 0.20 . 1 . . . . 191 LEU CB . 15303 1 1714 . 1 1 191 191 LEU N N 15 125.5 0.25 . 1 . . . . 191 LEU N . 15303 1 1715 . 1 1 192 192 GLU H H 1 7.54 0.01 . 1 . . . . 192 GLU HN . 15303 1 1716 . 1 1 192 192 GLU HA H 1 4.51 0.01 . 1 . . . . 192 GLU HA . 15303 1 1717 . 1 1 192 192 GLU HB2 H 1 2.09 0.01 . 2 . . . . 192 GLU HB2 . 15303 1 1718 . 1 1 192 192 GLU HG2 H 1 2.29 0.01 . 2 . . . . 192 GLU HG2 . 15303 1 1719 . 1 1 192 192 GLU C C 13 176.1 0.20 . 1 . . . . 192 GLU C . 15303 1 1720 . 1 1 192 192 GLU CA C 13 56.3 0.20 . 1 . . . . 192 GLU CA . 15303 1 1721 . 1 1 192 192 GLU CB C 13 29.8 0.20 . 1 . . . . 192 GLU CB . 15303 1 1722 . 1 1 192 192 GLU N N 15 123.4 0.25 . 1 . . . . 192 GLU N . 15303 1 1723 . 1 1 193 193 GLU H H 1 8.49 0.01 . 1 . . . . 193 GLU HN . 15303 1 1724 . 1 1 193 193 GLU HA H 1 4.15 0.01 . 1 . . . . 193 GLU HA . 15303 1 1725 . 1 1 193 193 GLU HB2 H 1 2.12 0.01 . 2 . . . . 193 GLU HB2 . 15303 1 1726 . 1 1 193 193 GLU HG2 H 1 2.30 0.01 . 2 . . . . 193 GLU HG2 . 15303 1 1727 . 1 1 193 193 GLU C C 13 176.7 0.20 . 1 . . . . 193 GLU C . 15303 1 1728 . 1 1 193 193 GLU CA C 13 59.2 0.20 . 1 . . . . 193 GLU CA . 15303 1 1729 . 1 1 193 193 GLU CB C 13 29.0 0.20 . 1 . . . . 193 GLU CB . 15303 1 1730 . 1 1 193 193 GLU N N 15 122.4 0.25 . 1 . . . . 193 GLU N . 15303 1 1731 . 1 1 194 194 GLU H H 1 7.99 0.01 . 1 . . . . 194 GLU HN . 15303 1 1732 . 1 1 194 194 GLU HA H 1 4.46 0.01 . 1 . . . . 194 GLU HA . 15303 1 1733 . 1 1 194 194 GLU HB2 H 1 1.90 0.01 . 2 . . . . 194 GLU HB2 . 15303 1 1734 . 1 1 194 194 GLU HB3 H 1 2.08 0.01 . 2 . . . . 194 GLU HB3 . 15303 1 1735 . 1 1 194 194 GLU HG2 H 1 2.21 0.01 . 2 . . . . 194 GLU HG2 . 15303 1 1736 . 1 1 194 194 GLU C C 13 175.7 0.20 . 1 . . . . 194 GLU C . 15303 1 1737 . 1 1 194 194 GLU CA C 13 54.9 0.20 . 1 . . . . 194 GLU CA . 15303 1 1738 . 1 1 194 194 GLU CB C 13 31.4 0.20 . 1 . . . . 194 GLU CB . 15303 1 1739 . 1 1 194 194 GLU N N 15 116.2 0.25 . 1 . . . . 194 GLU N . 15303 1 1740 . 1 1 195 195 MET H H 1 8.76 0.01 . 1 . . . . 195 MET HN . 15303 1 1741 . 1 1 195 195 MET HA H 1 5.05 0.01 . 1 . . . . 195 MET HA . 15303 1 1742 . 1 1 195 195 MET HB2 H 1 2.05 0.01 . 2 . . . . 195 MET HB2 . 15303 1 1743 . 1 1 195 195 MET HB3 H 1 2.18 0.01 . 2 . . . . 195 MET HB3 . 15303 1 1744 . 1 1 195 195 MET HG2 H 1 2.42 0.01 . 2 . . . . 195 MET HG2 . 15303 1 1745 . 1 1 195 195 MET HG3 H 1 2.63 0.01 . 2 . . . . 195 MET HG3 . 15303 1 1746 . 1 1 195 195 MET C C 13 175.9 0.20 . 1 . . . . 195 MET C . 15303 1 1747 . 1 1 195 195 MET CA C 13 56.0 0.20 . 1 . . . . 195 MET CA . 15303 1 1748 . 1 1 195 195 MET CB C 13 33.2 0.20 . 1 . . . . 195 MET CB . 15303 1 1749 . 1 1 195 195 MET N N 15 123.0 0.25 . 1 . . . . 195 MET N . 15303 1 1750 . 1 1 196 196 THR H H 1 8.40 0.01 . 1 . . . . 196 THR HN . 15303 1 1751 . 1 1 196 196 THR HA H 1 4.40 0.01 . 1 . . . . 196 THR HA . 15303 1 1752 . 1 1 196 196 THR HB H 1 4.14 0.01 . 1 . . . . 196 THR HB . 15303 1 1753 . 1 1 196 196 THR HG21 H 1 1.12 0.01 . 1 . . . . 196 THR HG2 . 15303 1 1754 . 1 1 196 196 THR HG22 H 1 1.12 0.01 . 1 . . . . 196 THR HG2 . 15303 1 1755 . 1 1 196 196 THR HG23 H 1 1.12 0.01 . 1 . . . . 196 THR HG2 . 15303 1 1756 . 1 1 196 196 THR C C 13 172.0 0.20 . 1 . . . . 196 THR C . 15303 1 1757 . 1 1 196 196 THR CA C 13 62.9 0.20 . 1 . . . . 196 THR CA . 15303 1 1758 . 1 1 196 196 THR CB C 13 69.8 0.20 . 1 . . . . 196 THR CB . 15303 1 1759 . 1 1 196 196 THR N N 15 122.0 0.25 . 1 . . . . 196 THR N . 15303 1 1760 . 1 1 197 197 LYS H H 1 8.53 0.01 . 1 . . . . 197 LYS HN . 15303 1 1761 . 1 1 197 197 LYS HA H 1 5.42 0.01 . 1 . . . . 197 LYS HA . 15303 1 1762 . 1 1 197 197 LYS HB2 H 1 1.89 0.01 . 2 . . . . 197 LYS HB2 . 15303 1 1763 . 1 1 197 197 LYS HG2 H 1 1.41 0.01 . 2 . . . . 197 LYS HG2 . 15303 1 1764 . 1 1 197 197 LYS C C 13 174.7 0.20 . 1 . . . . 197 LYS C . 15303 1 1765 . 1 1 197 197 LYS CA C 13 55.0 0.20 . 1 . . . . 197 LYS CA . 15303 1 1766 . 1 1 197 197 LYS CB C 13 35.6 0.20 . 1 . . . . 197 LYS CB . 15303 1 1767 . 1 1 197 197 LYS N N 15 123.9 0.25 . 1 . . . . 197 LYS N . 15303 1 1768 . 1 1 198 198 TYR H H 1 9.54 0.01 . 1 . . . . 198 TYR HN . 15303 1 1769 . 1 1 198 198 TYR HA H 1 4.88 0.01 . 1 . . . . 198 TYR HA . 15303 1 1770 . 1 1 198 198 TYR HB2 H 1 2.88 0.01 . 2 . . . . 198 TYR HB2 . 15303 1 1771 . 1 1 198 198 TYR HB3 H 1 2.99 0.01 . 2 . . . . 198 TYR HB3 . 15303 1 1772 . 1 1 198 198 TYR C C 13 174.4 0.20 . 1 . . . . 198 TYR C . 15303 1 1773 . 1 1 198 198 TYR CA C 13 57.7 0.20 . 1 . . . . 198 TYR CA . 15303 1 1774 . 1 1 198 198 TYR CB C 13 41.7 0.20 . 1 . . . . 198 TYR CB . 15303 1 1775 . 1 1 198 198 TYR N N 15 117.9 0.25 . 1 . . . . 198 TYR N . 15303 1 1776 . 1 1 199 199 LYS H H 1 9.29 0.01 . 1 . . . . 199 LYS HN . 15303 1 1777 . 1 1 199 199 LYS HA H 1 5.07 0.01 . 1 . . . . 199 LYS HA . 15303 1 1778 . 1 1 199 199 LYS HB2 H 1 1.49 0.01 . 2 . . . . 199 LYS HB2 . 15303 1 1779 . 1 1 199 199 LYS HG2 H 1 1.34 0.01 . 2 . . . . 199 LYS HG2 . 15303 1 1780 . 1 1 199 199 LYS HG3 H 1 1.18 0.01 . 2 . . . . 199 LYS HG3 . 15303 1 1781 . 1 1 199 199 LYS CA C 13 52.5 0.20 . 1 . . . . 199 LYS CA . 15303 1 1782 . 1 1 199 199 LYS CB C 13 35.4 0.20 . 1 . . . . 199 LYS CB . 15303 1 1783 . 1 1 199 199 LYS N N 15 122.6 0.25 . 1 . . . . 199 LYS N . 15303 1 1784 . 1 1 200 200 PRO HA H 1 4.12 0.01 . 1 . . . . 200 PRO HA . 15303 1 1785 . 1 1 200 200 PRO C C 13 176.7 0.20 . 1 . . . . 200 PRO C . 15303 1 1786 . 1 1 200 200 PRO CA C 13 62.0 0.20 . 1 . . . . 200 PRO CA . 15303 1 1787 . 1 1 200 200 PRO CB C 13 31.2 0.20 . 1 . . . . 200 PRO CB . 15303 1 1788 . 1 1 201 201 GLU H H 1 9.01 0.01 . 1 . . . . 201 GLU HN . 15303 1 1789 . 1 1 201 201 GLU HA H 1 4.11 0.01 . 1 . . . . 201 GLU HA . 15303 1 1790 . 1 1 201 201 GLU HB2 H 1 2.02 0.01 . 2 . . . . 201 GLU HB2 . 15303 1 1791 . 1 1 201 201 GLU HB3 H 1 2.19 0.01 . 2 . . . . 201 GLU HB3 . 15303 1 1792 . 1 1 201 201 GLU HG2 H 1 2.38 0.01 . 2 . . . . 201 GLU HG2 . 15303 1 1793 . 1 1 201 201 GLU C C 13 176.1 0.20 . 1 . . . . 201 GLU C . 15303 1 1794 . 1 1 201 201 GLU CA C 13 57.6 0.20 . 1 . . . . 201 GLU CA . 15303 1 1795 . 1 1 201 201 GLU CB C 13 30.4 0.20 . 1 . . . . 201 GLU CB . 15303 1 1796 . 1 1 201 201 GLU N N 15 119.7 0.25 . 1 . . . . 201 GLU N . 15303 1 1797 . 1 1 202 202 SER H H 1 7.57 0.01 . 1 . . . . 202 SER HN . 15303 1 1798 . 1 1 202 202 SER HA H 1 4.65 0.01 . 1 . . . . 202 SER HA . 15303 1 1799 . 1 1 202 202 SER HB2 H 1 3.69 0.01 . 2 . . . . 202 SER HB2 . 15303 1 1800 . 1 1 202 202 SER HB3 H 1 3.96 0.01 . 2 . . . . 202 SER HB3 . 15303 1 1801 . 1 1 202 202 SER C C 13 174.4 0.20 . 1 . . . . 202 SER C . 15303 1 1802 . 1 1 202 202 SER CA C 13 56.4 0.20 . 1 . . . . 202 SER CA . 15303 1 1803 . 1 1 202 202 SER CB C 13 65.1 0.20 . 1 . . . . 202 SER CB . 15303 1 1804 . 1 1 202 202 SER N N 15 111.9 0.25 . 1 . . . . 202 SER N . 15303 1 1805 . 1 1 203 203 GLU H H 1 8.79 0.01 . 1 . . . . 203 GLU HN . 15303 1 1806 . 1 1 203 203 GLU HA H 1 4.37 0.01 . 1 . . . . 203 GLU HA . 15303 1 1807 . 1 1 203 203 GLU HB2 H 1 1.87 0.01 . 2 . . . . 203 GLU HB2 . 15303 1 1808 . 1 1 203 203 GLU HG2 H 1 2.27 0.01 . 2 . . . . 203 GLU HG2 . 15303 1 1809 . 1 1 203 203 GLU C C 13 176.1 0.20 . 1 . . . . 203 GLU C . 15303 1 1810 . 1 1 203 203 GLU CA C 13 56.2 0.20 . 1 . . . . 203 GLU CA . 15303 1 1811 . 1 1 203 203 GLU CB C 13 29.5 0.20 . 1 . . . . 203 GLU CB . 15303 1 1812 . 1 1 203 203 GLU N N 15 122.8 0.25 . 1 . . . . 203 GLU N . 15303 1 1813 . 1 1 204 204 GLU H H 1 8.03 0.01 . 1 . . . . 204 GLU HN . 15303 1 1814 . 1 1 204 204 GLU HA H 1 4.11 0.01 . 1 . . . . 204 GLU HA . 15303 1 1815 . 1 1 204 204 GLU HB2 H 1 1.96 0.01 . 2 . . . . 204 GLU HB2 . 15303 1 1816 . 1 1 204 204 GLU HG2 H 1 2.28 0.01 . 2 . . . . 204 GLU HG2 . 15303 1 1817 . 1 1 204 204 GLU C C 13 176.3 0.20 . 1 . . . . 204 GLU C . 15303 1 1818 . 1 1 204 204 GLU CA C 13 57.3 0.20 . 1 . . . . 204 GLU CA . 15303 1 1819 . 1 1 204 204 GLU CB C 13 31.1 0.20 . 1 . . . . 204 GLU CB . 15303 1 1820 . 1 1 204 204 GLU N N 15 120.7 0.25 . 1 . . . . 204 GLU N . 15303 1 1821 . 1 1 205 205 LEU H H 1 8.69 0.01 . 1 . . . . 205 LEU HN . 15303 1 1822 . 1 1 205 205 LEU HA H 1 4.58 0.01 . 1 . . . . 205 LEU HA . 15303 1 1823 . 1 1 205 205 LEU HB2 H 1 1.68 0.01 . 2 . . . . 205 LEU HB2 . 15303 1 1824 . 1 1 205 205 LEU HD11 H 1 0.68 0.01 . 2 . . . . 205 LEU HD1 . 15303 1 1825 . 1 1 205 205 LEU HD12 H 1 0.68 0.01 . 2 . . . . 205 LEU HD1 . 15303 1 1826 . 1 1 205 205 LEU HD13 H 1 0.68 0.01 . 2 . . . . 205 LEU HD1 . 15303 1 1827 . 1 1 205 205 LEU HD21 H 1 0.76 0.01 . 2 . . . . 205 LEU HD2 . 15303 1 1828 . 1 1 205 205 LEU HD22 H 1 0.76 0.01 . 2 . . . . 205 LEU HD2 . 15303 1 1829 . 1 1 205 205 LEU HD23 H 1 0.76 0.01 . 2 . . . . 205 LEU HD2 . 15303 1 1830 . 1 1 205 205 LEU HG H 1 1.54 0.01 . 1 . . . . 205 LEU HG . 15303 1 1831 . 1 1 205 205 LEU C C 13 176.3 0.20 . 1 . . . . 205 LEU C . 15303 1 1832 . 1 1 205 205 LEU CA C 13 53.1 0.20 . 1 . . . . 205 LEU CA . 15303 1 1833 . 1 1 205 205 LEU CB C 13 41.1 0.20 . 1 . . . . 205 LEU CB . 15303 1 1834 . 1 1 205 205 LEU N N 15 125.5 0.25 . 1 . . . . 205 LEU N . 15303 1 1835 . 1 1 206 206 THR H H 1 6.80 0.01 . 1 . . . . 206 THR HN . 15303 1 1836 . 1 1 206 206 THR HA H 1 4.37 0.01 . 1 . . . . 206 THR HA . 15303 1 1837 . 1 1 206 206 THR HB H 1 4.72 0.01 . 1 . . . . 206 THR HB . 15303 1 1838 . 1 1 206 206 THR HG21 H 1 1.28 0.01 . 1 . . . . 206 THR HG2 . 15303 1 1839 . 1 1 206 206 THR HG22 H 1 1.28 0.01 . 1 . . . . 206 THR HG2 . 15303 1 1840 . 1 1 206 206 THR HG23 H 1 1.28 0.01 . 1 . . . . 206 THR HG2 . 15303 1 1841 . 1 1 206 206 THR C C 13 175.2 0.20 . 1 . . . . 206 THR C . 15303 1 1842 . 1 1 206 206 THR CA C 13 59.4 0.20 . 1 . . . . 206 THR CA . 15303 1 1843 . 1 1 206 206 THR CB C 13 70.4 0.20 . 1 . . . . 206 THR CB . 15303 1 1844 . 1 1 206 206 THR N N 15 108.2 0.25 . 1 . . . . 206 THR N . 15303 1 1845 . 1 1 207 207 ALA H H 1 9.32 0.01 . 1 . . . . 207 ALA HN . 15303 1 1846 . 1 1 207 207 ALA HA H 1 4.01 0.01 . 1 . . . . 207 ALA HA . 15303 1 1847 . 1 1 207 207 ALA HB1 H 1 1.55 0.01 . 1 . . . . 207 ALA HB . 15303 1 1848 . 1 1 207 207 ALA HB2 H 1 1.55 0.01 . 1 . . . . 207 ALA HB . 15303 1 1849 . 1 1 207 207 ALA HB3 H 1 1.55 0.01 . 1 . . . . 207 ALA HB . 15303 1 1850 . 1 1 207 207 ALA C C 13 180.8 0.20 . 1 . . . . 207 ALA C . 15303 1 1851 . 1 1 207 207 ALA CA C 13 56.0 0.20 . 1 . . . . 207 ALA CA . 15303 1 1852 . 1 1 207 207 ALA CB C 13 18.2 0.20 . 1 . . . . 207 ALA CB . 15303 1 1853 . 1 1 207 207 ALA N N 15 125.3 0.25 . 1 . . . . 207 ALA N . 15303 1 1854 . 1 1 208 208 GLU H H 1 9.39 0.01 . 1 . . . . 208 GLU HN . 15303 1 1855 . 1 1 208 208 GLU HA H 1 4.05 0.01 . 1 . . . . 208 GLU HA . 15303 1 1856 . 1 1 208 208 GLU HB2 H 1 1.96 0.01 . 2 . . . . 208 GLU HB2 . 15303 1 1857 . 1 1 208 208 GLU HB3 H 1 2.10 0.01 . 2 . . . . 208 GLU HB3 . 15303 1 1858 . 1 1 208 208 GLU HG2 H 1 2.35 0.01 . 2 . . . . 208 GLU HG2 . 15303 1 1859 . 1 1 208 208 GLU C C 13 179.1 0.20 . 1 . . . . 208 GLU C . 15303 1 1860 . 1 1 208 208 GLU CA C 13 60.2 0.20 . 1 . . . . 208 GLU CA . 15303 1 1861 . 1 1 208 208 GLU CB C 13 29.1 0.20 . 1 . . . . 208 GLU CB . 15303 1 1862 . 1 1 208 208 GLU N N 15 118.5 0.25 . 1 . . . . 208 GLU N . 15303 1 1863 . 1 1 209 209 ARG H H 1 7.70 0.01 . 1 . . . . 209 ARG HN . 15303 1 1864 . 1 1 209 209 ARG HA H 1 4.23 0.01 . 1 . . . . 209 ARG HA . 15303 1 1865 . 1 1 209 209 ARG HB2 H 1 1.96 0.01 . 2 . . . . 209 ARG HB2 . 15303 1 1866 . 1 1 209 209 ARG HG2 H 1 1.76 0.01 . 2 . . . . 209 ARG HG2 . 15303 1 1867 . 1 1 209 209 ARG C C 13 180.0 0.20 . 1 . . . . 209 ARG C . 15303 1 1868 . 1 1 209 209 ARG CA C 13 57.9 0.20 . 1 . . . . 209 ARG CA . 15303 1 1869 . 1 1 209 209 ARG CB C 13 30.1 0.20 . 1 . . . . 209 ARG CB . 15303 1 1870 . 1 1 209 209 ARG N N 15 119.7 0.25 . 1 . . . . 209 ARG N . 15303 1 1871 . 1 1 210 210 ILE H H 1 8.54 0.01 . 1 . . . . 210 ILE HN . 15303 1 1872 . 1 1 210 210 ILE HA H 1 3.95 0.01 . 1 . . . . 210 ILE HA . 15303 1 1873 . 1 1 210 210 ILE HB H 1 1.95 0.01 . 1 . . . . 210 ILE HB . 15303 1 1874 . 1 1 210 210 ILE HD11 H 1 0.91 0.01 . 1 . . . . 210 ILE HD1 . 15303 1 1875 . 1 1 210 210 ILE HD12 H 1 0.91 0.01 . 1 . . . . 210 ILE HD1 . 15303 1 1876 . 1 1 210 210 ILE HD13 H 1 0.91 0.01 . 1 . . . . 210 ILE HD1 . 15303 1 1877 . 1 1 210 210 ILE HG21 H 1 1.12 0.01 . 1 . . . . 210 ILE HG2 . 15303 1 1878 . 1 1 210 210 ILE HG22 H 1 1.12 0.01 . 1 . . . . 210 ILE HG2 . 15303 1 1879 . 1 1 210 210 ILE HG23 H 1 1.12 0.01 . 1 . . . . 210 ILE HG2 . 15303 1 1880 . 1 1 210 210 ILE C C 13 178.0 0.20 . 1 . . . . 210 ILE C . 15303 1 1881 . 1 1 210 210 ILE CA C 13 65.4 0.20 . 1 . . . . 210 ILE CA . 15303 1 1882 . 1 1 210 210 ILE CB C 13 38.3 0.20 . 1 . . . . 210 ILE CB . 15303 1 1883 . 1 1 210 210 ILE N N 15 122.0 0.25 . 1 . . . . 210 ILE N . 15303 1 1884 . 1 1 211 211 THR H H 1 8.62 0.01 . 1 . . . . 211 THR HN . 15303 1 1885 . 1 1 211 211 THR HA H 1 4.04 0.01 . 1 . . . . 211 THR HA . 15303 1 1886 . 1 1 211 211 THR HB H 1 4.44 0.01 . 1 . . . . 211 THR HB . 15303 1 1887 . 1 1 211 211 THR HG21 H 1 1.48 0.01 . 1 . . . . 211 THR HG2 . 15303 1 1888 . 1 1 211 211 THR HG22 H 1 1.48 0.01 . 1 . . . . 211 THR HG2 . 15303 1 1889 . 1 1 211 211 THR HG23 H 1 1.48 0.01 . 1 . . . . 211 THR HG2 . 15303 1 1890 . 1 1 211 211 THR C C 13 175.3 0.20 . 1 . . . . 211 THR C . 15303 1 1891 . 1 1 211 211 THR CA C 13 67.8 0.20 . 1 . . . . 211 THR CA . 15303 1 1892 . 1 1 211 211 THR CB C 13 68.3 0.20 . 1 . . . . 211 THR CB . 15303 1 1893 . 1 1 211 211 THR N N 15 117.1 0.25 . 1 . . . . 211 THR N . 15303 1 1894 . 1 1 212 212 GLU H H 1 8.05 0.01 . 1 . . . . 212 GLU HN . 15303 1 1895 . 1 1 212 212 GLU HA H 1 4.28 0.01 . 1 . . . . 212 GLU HA . 15303 1 1896 . 1 1 212 212 GLU HB2 H 1 2.28 0.01 . 2 . . . . 212 GLU HB2 . 15303 1 1897 . 1 1 212 212 GLU HG2 H 1 2.44 0.01 . 2 . . . . 212 GLU HG2 . 15303 1 1898 . 1 1 212 212 GLU C C 13 177.2 0.20 . 1 . . . . 212 GLU C . 15303 1 1899 . 1 1 212 212 GLU CA C 13 59.7 0.20 . 1 . . . . 212 GLU CA . 15303 1 1900 . 1 1 212 212 GLU CB C 13 30.3 0.20 . 1 . . . . 212 GLU CB . 15303 1 1901 . 1 1 212 212 GLU N N 15 121.6 0.25 . 1 . . . . 212 GLU N . 15303 1 1902 . 1 1 213 213 PHE H H 1 7.89 0.01 . 1 . . . . 213 PHE HN . 15303 1 1903 . 1 1 213 213 PHE HA H 1 4.62 0.01 . 1 . . . . 213 PHE HA . 15303 1 1904 . 1 1 213 213 PHE HB2 H 1 3.37 0.01 . 2 . . . . 213 PHE HB2 . 15303 1 1905 . 1 1 213 213 PHE HB3 H 1 3.58 0.01 . 2 . . . . 213 PHE HB3 . 15303 1 1906 . 1 1 213 213 PHE C C 13 176.3 0.20 . 1 . . . . 213 PHE C . 15303 1 1907 . 1 1 213 213 PHE CA C 13 59.3 0.20 . 1 . . . . 213 PHE CA . 15303 1 1908 . 1 1 213 213 PHE CB C 13 38.7 0.20 . 1 . . . . 213 PHE CB . 15303 1 1909 . 1 1 213 213 PHE N N 15 119.7 0.25 . 1 . . . . 213 PHE N . 15303 1 1910 . 1 1 214 214 CYS H H 1 7.70 0.01 . 1 . . . . 214 CYS HN . 15303 1 1911 . 1 1 214 214 CYS HA H 1 3.26 0.01 . 1 . . . . 214 CYS HA . 15303 1 1912 . 1 1 214 214 CYS HB2 H 1 1.03 0.01 . 2 . . . . 214 CYS HB2 . 15303 1 1913 . 1 1 214 214 CYS HB3 H 1 2.41 0.01 . 2 . . . . 214 CYS HB3 . 15303 1 1914 . 1 1 214 214 CYS C C 13 177.0 0.20 . 1 . . . . 214 CYS C . 15303 1 1915 . 1 1 214 214 CYS CA C 13 64.5 0.20 . 1 . . . . 214 CYS CA . 15303 1 1916 . 1 1 214 214 CYS CB C 13 27.4 0.20 . 1 . . . . 214 CYS CB . 15303 1 1917 . 1 1 214 214 CYS N N 15 116.0 0.25 . 1 . . . . 214 CYS N . 15303 1 1918 . 1 1 215 215 HIS H H 1 8.64 0.01 . 1 . . . . 215 HIS HN . 15303 1 1919 . 1 1 215 215 HIS HA H 1 4.50 0.01 . 1 . . . . 215 HIS HA . 15303 1 1920 . 1 1 215 215 HIS HB2 H 1 3.19 0.01 . 2 . . . . 215 HIS HB2 . 15303 1 1921 . 1 1 215 215 HIS HB3 H 1 3.33 0.01 . 2 . . . . 215 HIS HB3 . 15303 1 1922 . 1 1 215 215 HIS C C 13 178.1 0.20 . 1 . . . . 215 HIS C . 15303 1 1923 . 1 1 215 215 HIS CA C 13 60.3 0.20 . 1 . . . . 215 HIS CA . 15303 1 1924 . 1 1 215 215 HIS CB C 13 30.3 0.20 . 1 . . . . 215 HIS CB . 15303 1 1925 . 1 1 215 215 HIS N N 15 118.1 0.25 . 1 . . . . 215 HIS N . 15303 1 1926 . 1 1 216 216 ARG H H 1 8.73 0.01 . 1 . . . . 216 ARG HN . 15303 1 1927 . 1 1 216 216 ARG HA H 1 3.92 0.01 . 1 . . . . 216 ARG HA . 15303 1 1928 . 1 1 216 216 ARG HB2 H 1 2.04 0.01 . 2 . . . . 216 ARG HB2 . 15303 1 1929 . 1 1 216 216 ARG HG2 H 1 1.73 0.01 . 2 . . . . 216 ARG HG2 . 15303 1 1930 . 1 1 216 216 ARG C C 13 179.1 0.20 . 1 . . . . 216 ARG C . 15303 1 1931 . 1 1 216 216 ARG CA C 13 59.8 0.20 . 1 . . . . 216 ARG CA . 15303 1 1932 . 1 1 216 216 ARG CB C 13 30.1 0.20 . 1 . . . . 216 ARG CB . 15303 1 1933 . 1 1 216 216 ARG N N 15 118.7 0.25 . 1 . . . . 216 ARG N . 15303 1 1934 . 1 1 217 217 PHE H H 1 8.39 0.01 . 1 . . . . 217 PHE HN . 15303 1 1935 . 1 1 217 217 PHE HA H 1 3.97 0.01 . 1 . . . . 217 PHE HA . 15303 1 1936 . 1 1 217 217 PHE HB2 H 1 2.30 0.01 . 2 . . . . 217 PHE HB2 . 15303 1 1937 . 1 1 217 217 PHE HB3 H 1 2.70 0.01 . 2 . . . . 217 PHE HB3 . 15303 1 1938 . 1 1 217 217 PHE C C 13 179.2 0.20 . 1 . . . . 217 PHE C . 15303 1 1939 . 1 1 217 217 PHE CA C 13 60.7 0.20 . 1 . . . . 217 PHE CA . 15303 1 1940 . 1 1 217 217 PHE CB C 13 37.8 0.20 . 1 . . . . 217 PHE CB . 15303 1 1941 . 1 1 217 217 PHE N N 15 120.6 0.25 . 1 . . . . 217 PHE N . 15303 1 1942 . 1 1 218 218 LEU H H 1 8.25 0.01 . 1 . . . . 218 LEU HN . 15303 1 1943 . 1 1 218 218 LEU HA H 1 3.50 0.01 . 1 . . . . 218 LEU HA . 15303 1 1944 . 1 1 218 218 LEU HB2 H 1 1.96 0.01 . 2 . . . . 218 LEU HB2 . 15303 1 1945 . 1 1 218 218 LEU HB3 H 1 2.13 0.01 . 2 . . . . 218 LEU HB3 . 15303 1 1946 . 1 1 218 218 LEU HD11 H 1 0.96 0.01 . 2 . . . . 218 LEU HD1 . 15303 1 1947 . 1 1 218 218 LEU HD12 H 1 0.96 0.01 . 2 . . . . 218 LEU HD1 . 15303 1 1948 . 1 1 218 218 LEU HD13 H 1 0.96 0.01 . 2 . . . . 218 LEU HD1 . 15303 1 1949 . 1 1 218 218 LEU HD21 H 1 1.07 0.01 . 2 . . . . 218 LEU HD2 . 15303 1 1950 . 1 1 218 218 LEU HD22 H 1 1.07 0.01 . 2 . . . . 218 LEU HD2 . 15303 1 1951 . 1 1 218 218 LEU HD23 H 1 1.07 0.01 . 2 . . . . 218 LEU HD2 . 15303 1 1952 . 1 1 218 218 LEU HG H 1 1.49 0.01 . 1 . . . . 218 LEU HG . 15303 1 1953 . 1 1 218 218 LEU C C 13 178.8 0.20 . 1 . . . . 218 LEU C . 15303 1 1954 . 1 1 218 218 LEU CA C 13 57.4 0.20 . 1 . . . . 218 LEU CA . 15303 1 1955 . 1 1 218 218 LEU CB C 13 41.3 0.20 . 1 . . . . 218 LEU CB . 15303 1 1956 . 1 1 218 218 LEU N N 15 123.5 0.25 . 1 . . . . 218 LEU N . 15303 1 1957 . 1 1 219 219 GLU H H 1 7.77 0.01 . 1 . . . . 219 GLU HN . 15303 1 1958 . 1 1 219 219 GLU HA H 1 4.20 0.01 . 1 . . . . 219 GLU HA . 15303 1 1959 . 1 1 219 219 GLU HB2 H 1 1.98 0.01 . 2 . . . . 219 GLU HB2 . 15303 1 1960 . 1 1 219 219 GLU HB3 H 1 2.14 0.01 . 2 . . . . 219 GLU HB3 . 15303 1 1961 . 1 1 219 219 GLU HG2 H 1 2.25 0.01 . 2 . . . . 219 GLU HG2 . 15303 1 1962 . 1 1 219 219 GLU HG3 H 1 2.43 0.01 . 2 . . . . 219 GLU HG3 . 15303 1 1963 . 1 1 219 219 GLU C C 13 176.8 0.20 . 1 . . . . 219 GLU C . 15303 1 1964 . 1 1 219 219 GLU CA C 13 56.2 0.20 . 1 . . . . 219 GLU CA . 15303 1 1965 . 1 1 219 219 GLU CB C 13 30.6 0.20 . 1 . . . . 219 GLU CB . 15303 1 1966 . 1 1 219 219 GLU N N 15 116.4 0.25 . 1 . . . . 219 GLU N . 15303 1 1967 . 1 1 220 220 GLY H H 1 7.72 0.01 . 1 . . . . 220 GLY HN . 15303 1 1968 . 1 1 220 220 GLY HA2 H 1 3.89 0.01 . 2 . . . . 220 GLY HA1 . 15303 1 1969 . 1 1 220 220 GLY HA3 H 1 3.96 0.01 . 2 . . . . 220 GLY HA2 . 15303 1 1970 . 1 1 220 220 GLY C C 13 176.3 0.20 . 1 . . . . 220 GLY C . 15303 1 1971 . 1 1 220 220 GLY CA C 13 46.3 0.20 . 1 . . . . 220 GLY CA . 15303 1 1972 . 1 1 220 220 GLY N N 15 108.6 0.25 . 1 . . . . 220 GLY N . 15303 1 1973 . 1 1 221 221 LYS H H 1 8.00 0.01 . 1 . . . . 221 LYS HN . 15303 1 1974 . 1 1 221 221 LYS HA H 1 4.32 0.01 . 1 . . . . 221 LYS HA . 15303 1 1975 . 1 1 221 221 LYS HB2 H 1 2.13 0.01 . 2 . . . . 221 LYS HB2 . 15303 1 1976 . 1 1 221 221 LYS HG2 H 1 1.36 0.01 . 2 . . . . 221 LYS HG2 . 15303 1 1977 . 1 1 221 221 LYS HG3 H 1 1.55 0.01 . 2 . . . . 221 LYS HG3 . 15303 1 1978 . 1 1 221 221 LYS C C 13 175.9 0.20 . 1 . . . . 221 LYS C . 15303 1 1979 . 1 1 221 221 LYS CA C 13 56.1 0.20 . 1 . . . . 221 LYS CA . 15303 1 1980 . 1 1 221 221 LYS CB C 13 33.7 0.20 . 1 . . . . 221 LYS CB . 15303 1 1981 . 1 1 221 221 LYS N N 15 116.6 0.25 . 1 . . . . 221 LYS N . 15303 1 1982 . 1 1 222 222 ILE H H 1 7.91 0.01 . 1 . . . . 222 ILE HN . 15303 1 1983 . 1 1 222 222 ILE HA H 1 4.57 0.01 . 1 . . . . 222 ILE HA . 15303 1 1984 . 1 1 222 222 ILE HB H 1 2.06 0.01 . 1 . . . . 222 ILE HB . 15303 1 1985 . 1 1 222 222 ILE HD11 H 1 1.02 0.01 . 1 . . . . 222 ILE HD1 . 15303 1 1986 . 1 1 222 222 ILE HD12 H 1 1.02 0.01 . 1 . . . . 222 ILE HD1 . 15303 1 1987 . 1 1 222 222 ILE HD13 H 1 1.02 0.01 . 1 . . . . 222 ILE HD1 . 15303 1 1988 . 1 1 222 222 ILE HG12 H 1 1.34 0.01 . 2 . . . . 222 ILE HG12 . 15303 1 1989 . 1 1 222 222 ILE HG21 H 1 1.18 0.01 . 1 . . . . 222 ILE HG2 . 15303 1 1990 . 1 1 222 222 ILE HG22 H 1 1.18 0.01 . 1 . . . . 222 ILE HG2 . 15303 1 1991 . 1 1 222 222 ILE HG23 H 1 1.18 0.01 . 1 . . . . 222 ILE HG2 . 15303 1 1992 . 1 1 222 222 ILE C C 13 175.4 0.20 . 1 . . . . 222 ILE C . 15303 1 1993 . 1 1 222 222 ILE CA C 13 59.2 0.20 . 1 . . . . 222 ILE CA . 15303 1 1994 . 1 1 222 222 ILE CB C 13 38.8 0.20 . 1 . . . . 222 ILE CB . 15303 1 1995 . 1 1 222 222 ILE N N 15 118.9 0.25 . 1 . . . . 222 ILE N . 15303 1 1996 . 1 1 223 223 LYS H H 1 8.76 0.01 . 1 . . . . 223 LYS HN . 15303 1 1997 . 1 1 223 223 LYS HA H 1 4.57 0.01 . 1 . . . . 223 LYS HA . 15303 1 1998 . 1 1 223 223 LYS HB2 H 1 1.81 0.01 . 2 . . . . 223 LYS HB2 . 15303 1 1999 . 1 1 223 223 LYS HB3 H 1 2.02 0.01 . 2 . . . . 223 LYS HB3 . 15303 1 2000 . 1 1 223 223 LYS CA C 13 54.3 0.20 . 1 . . . . 223 LYS CA . 15303 1 2001 . 1 1 223 223 LYS CB C 13 32.0 0.20 . 1 . . . . 223 LYS CB . 15303 1 2002 . 1 1 223 223 LYS N N 15 127.7 0.25 . 1 . . . . 223 LYS N . 15303 1 2003 . 1 1 224 224 PRO C C 13 175.9 0.20 . 1 . . . . 224 PRO C . 15303 1 2004 . 1 1 224 224 PRO CA C 13 63.0 0.20 . 1 . . . . 224 PRO CA . 15303 1 2005 . 1 1 224 224 PRO CB C 13 32.3 0.20 . 1 . . . . 224 PRO CB . 15303 1 2006 . 1 1 225 225 HIS H H 1 8.77 0.01 . 1 . . . . 225 HIS HN . 15303 1 2007 . 1 1 225 225 HIS C C 13 174.7 0.20 . 1 . . . . 225 HIS C . 15303 1 2008 . 1 1 225 225 HIS CA C 13 55.8 0.20 . 1 . . . . 225 HIS CA . 15303 1 2009 . 1 1 225 225 HIS CB C 13 31.1 0.20 . 1 . . . . 225 HIS CB . 15303 1 2010 . 1 1 225 225 HIS N N 15 121.8 0.25 . 1 . . . . 225 HIS N . 15303 1 2011 . 1 1 226 226 LEU H H 1 8.16 0.01 . 1 . . . . 226 LEU HN . 15303 1 2012 . 1 1 226 226 LEU C C 13 176.4 0.20 . 1 . . . . 226 LEU C . 15303 1 2013 . 1 1 226 226 LEU CA C 13 54.5 0.20 . 1 . . . . 226 LEU CA . 15303 1 2014 . 1 1 226 226 LEU CB C 13 42.3 0.20 . 1 . . . . 226 LEU CB . 15303 1 2015 . 1 1 226 226 LEU N N 15 127.0 0.25 . 1 . . . . 226 LEU N . 15303 1 2016 . 1 1 227 227 MET H H 1 7.98 0.01 . 1 . . . . 227 MET HN . 15303 1 2017 . 1 1 227 227 MET C C 13 175.1 0.20 . 1 . . . . 227 MET C . 15303 1 2018 . 1 1 227 227 MET CA C 13 55.4 0.20 . 1 . . . . 227 MET CA . 15303 1 2019 . 1 1 227 227 MET CB C 13 33.0 0.20 . 1 . . . . 227 MET CB . 15303 1 2020 . 1 1 227 227 MET N N 15 120.8 0.25 . 1 . . . . 227 MET N . 15303 1 2021 . 1 1 228 228 SER H H 1 7.86 0.01 . 1 . . . . 228 SER HN . 15303 1 2022 . 1 1 228 228 SER CA C 13 59.9 0.20 . 1 . . . . 228 SER CA . 15303 1 2023 . 1 1 228 228 SER CB C 13 64.6 0.20 . 1 . . . . 228 SER CB . 15303 1 2024 . 1 1 228 228 SER N N 15 122.3 0.25 . 1 . . . . 228 SER N . 15303 1 2025 . 2 1 2 2 PRO C C 13 176.9 0.20 . 1 . . . . 2 PRO C . 15303 1 2026 . 2 1 2 2 PRO CA C 13 63.3 0.20 . 1 . . . . 2 PRO CA . 15303 1 2027 . 2 1 2 2 PRO CB C 13 32.2 0.20 . 1 . . . . 2 PRO CB . 15303 1 2028 . 2 1 3 3 LEU H H 1 8.51 0.01 . 1 . . . . 3 LEU HN . 15303 1 2029 . 2 1 3 3 LEU C C 13 177.7 0.20 . 1 . . . . 3 LEU C . 15303 1 2030 . 2 1 3 3 LEU CA C 13 55.3 0.20 . 1 . . . . 3 LEU CA . 15303 1 2031 . 2 1 3 3 LEU CB C 13 42.1 0.20 . 1 . . . . 3 LEU CB . 15303 1 2032 . 2 1 3 3 LEU N N 15 121.4 0.25 . 1 . . . . 3 LEU N . 15303 1 2033 . 2 1 4 4 GLY H H 1 8.19 0.01 . 1 . . . . 4 GLY HN . 15303 1 2034 . 2 1 4 4 GLY C C 13 172.9 0.20 . 1 . . . . 4 GLY C . 15303 1 2035 . 2 1 4 4 GLY CA C 13 45.2 0.20 . 1 . . . . 4 GLY CA . 15303 1 2036 . 2 1 4 4 GLY N N 15 109.4 0.25 . 1 . . . . 4 GLY N . 15303 1 2037 . 2 1 5 5 SER H H 1 7.83 0.01 . 1 . . . . 5 SER HN . 15303 1 2038 . 2 1 5 5 SER CA C 13 55.5 0.20 . 1 . . . . 5 SER CA . 15303 1 2039 . 2 1 5 5 SER CB C 13 64.1 0.20 . 1 . . . . 5 SER CB . 15303 1 2040 . 2 1 5 5 SER N N 15 115.4 0.25 . 1 . . . . 5 SER N . 15303 1 2041 . 2 1 221 221 LYS C C 13 176.8 0.20 . 1 . . . . 221 LYS C . 15303 1 2042 . 2 1 221 221 LYS CA C 13 56.1 0.20 . 1 . . . . 221 LYS CA . 15303 1 2043 . 2 1 221 221 LYS CB C 13 32.5 0.20 . 1 . . . . 221 LYS CB . 15303 1 2044 . 2 1 222 222 ILE H H 1 7.63 0.01 . 1 . . . . 222 ILE HN . 15303 1 2045 . 2 1 222 222 ILE C C 13 175.8 0.20 . 1 . . . . 222 ILE C . 15303 1 2046 . 2 1 222 222 ILE CA C 13 61.3 0.20 . 1 . . . . 222 ILE CA . 15303 1 2047 . 2 1 222 222 ILE CB C 13 38.5 0.20 . 1 . . . . 222 ILE CB . 15303 1 2048 . 2 1 222 222 ILE N N 15 118.9 0.25 . 1 . . . . 222 ILE N . 15303 1 2049 . 2 1 223 223 LYS H H 1 8.08 0.01 . 1 . . . . 223 LYS HN . 15303 1 2050 . 2 1 223 223 LYS CA C 13 54.3 0.20 . 1 . . . . 223 LYS CA . 15303 1 2051 . 2 1 223 223 LYS CB C 13 32.4 0.20 . 1 . . . . 223 LYS CB . 15303 1 2052 . 2 1 223 223 LYS N N 15 125.5 0.25 . 1 . . . . 223 LYS N . 15303 1 2053 . 2 1 224 224 PRO C C 13 176.7 0.20 . 1 . . . . 224 PRO C . 15303 1 2054 . 2 1 224 224 PRO CA C 13 63.4 0.20 . 1 . . . . 224 PRO CA . 15303 1 2055 . 2 1 224 224 PRO CB C 13 31.8 0.20 . 1 . . . . 224 PRO CB . 15303 1 2056 . 2 1 225 225 HIS H H 1 8.33 0.01 . 1 . . . . 225 HIS HN . 15303 1 2057 . 2 1 225 225 HIS C C 13 175.0 0.20 . 1 . . . . 225 HIS C . 15303 1 2058 . 2 1 225 225 HIS CA C 13 56.1 0.20 . 1 . . . . 225 HIS CA . 15303 1 2059 . 2 1 225 225 HIS CB C 13 30.3 0.20 . 1 . . . . 225 HIS CB . 15303 1 2060 . 2 1 225 225 HIS N N 15 119.0 0.25 . 1 . . . . 225 HIS N . 15303 1 2061 . 2 1 226 226 LEU H H 1 8.03 0.01 . 1 . . . . 226 LEU HN . 15303 1 2062 . 2 1 226 226 LEU C C 13 176.8 0.20 . 1 . . . . 226 LEU C . 15303 1 2063 . 2 1 226 226 LEU CA C 13 55.0 0.20 . 1 . . . . 226 LEU CA . 15303 1 2064 . 2 1 226 226 LEU CB C 13 42.3 0.20 . 1 . . . . 226 LEU CB . 15303 1 2065 . 2 1 226 226 LEU N N 15 123.2 0.25 . 1 . . . . 226 LEU N . 15303 1 2066 . 2 1 227 227 MET H H 1 8.28 0.01 . 1 . . . . 227 MET HN . 15303 1 2067 . 2 1 227 227 MET CA C 13 55.3 0.20 . 1 . . . . 227 MET CA . 15303 1 2068 . 2 1 227 227 MET CB C 13 32.9 0.20 . 1 . . . . 227 MET CB . 15303 1 2069 . 2 1 227 227 MET N N 15 121.2 0.25 . 1 . . . . 227 MET N . 15303 1 stop_ save_