data_6942 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6942 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Myristoylated neuronal calcium sensor-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-18 _Entry.Accession_date 2006-01-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sulakshana Mukherjee . . . 6942 2 Kandala Chary . V. . 6942 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Tata Institute of Fundamental Research' . 6942 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6942 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 654 6942 '15N chemical shifts' 176 6942 '1H chemical shifts' 1072 6942 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-08 2006-01-18 update BMRB 'complete entry citation' 6942 1 . . 2006-08-07 2006-01-18 original author 'original release' 6942 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M9B 'BMRB Entry Tracking System' 6942 stop_ save_ ############### # Citations # ############### save_citations_Myristoylated_NCS-1 _Citation.Sf_category citations _Citation.Sf_framecode citations_Myristoylated_NCS-1 _Citation.Entry_ID 6942 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16804767 _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N chemical shift assignments of neuronal calcium sensor-1, a multi-functional calcium-binding protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 48 _Citation.Page_last 48 _Citation.Year 2006 _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 Sulakshana Mukherjee . . . 6942 1 2 Dasari Muralidhar . . . 6942 1 3 Hanudatta Atreya . S. . 6942 1 4 Thomas Szyperski . . . 6942 1 5 Andreas Jeromin . . . 6942 1 6 Yogendra Sharma . . . 6942 1 7 Kandala Chary . V.R. . 6942 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6942 _Assembly.ID 1 _Assembly.Name 'myristoylated NCS-1' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 3 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites yes _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 'myristoylated NCS-1' 1 $myristoylated_NCS-1 . . yes native yes yes . . . 6942 1 2 'CALCIUM (II) ION, 1' 2 $CA . . no . . . . . . 6942 1 3 'CALCIUM (II) ION, 2' 2 $CA . . no . . . . . . 6942 1 4 'CALCIUM (II) ION, 3' 2 $CA . . no . . . . . . 6942 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_myristoylated_NCS-1 _Entity.Sf_category entity _Entity.Sf_framecode myristoylated_NCS-1 _Entity.Entry_ID 6942 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'myristoylated neuronal calcium sensor-1 protein' _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 ; MGKSNSKLKPEVVEELTRKT YFTEKEVQQWYKGFIKDCPS GQLDAAGFQKIYKQFFPFGD PTKFATFVFNVFDENKDGRI EFSEFIQALSVTSRGTLDEK LRWAFKLYDLDNDGYITRNE MLDIVDAIYQMVGNTVELPE EENTPEKRVDRIFAMMDKNA DGKLTLQEFQEGSKADPSIV QALSLYDGLV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 190 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16334 . Nonmyristoylated_Neuronal_Calcium_Sensor1 . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 2 no BMRB 16726 . "myristoylated NCS1" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 3 no BMRB 4378 . rfrq . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 4 no PDB 1G8I . "Crystal Structure Of Human Frequenin (Neuronal Calcium Sensor 1)" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 5 no PDB 2LCP . "Nmr Structure Of Calcium Loaded, Un-Myristoylated Human Ncs-1" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 6 no PDB 2YOU . "Neuronal Calcium Sensor-1 (ncs-1)from Rattus Norvegicus Complex With D2 Dopamine Receptor Peptide From Homo Sapiens" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 7 no PDB 2YOV . "Neuronal Calcium Sensor (ncs-1)from Rattus Norvegicus" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 8 no PDB 4GUK . "New Crystal Form Structure Of Human Ncs1" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 9 no PDB 4OV2 . "Crystal Structure Of C-terminally Truncated Neuronal Calcium Sensor (ncs-1) From Rattus Norvegicus" . . . . . 93.16 179 100.00 100.00 6.05e-126 . . . . 6942 1 10 no PDB 4UYC . "Neuronal Calcium Sensor-1 (ncs-1)from Rattus Norvegicus Complex With Rhodopsin Kinase Peptide From Homo Sapiens" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 11 no DBJ BAC37557 . "unnamed protein product [Mus musculus]" . . . . . 90.00 171 99.42 100.00 1.20e-120 . . . . 6942 1 12 no DBJ BAG73169 . "frequenin homolog [synthetic construct]" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 13 no EMBL CAA57678 . "frequenin-like protein [Rattus norvegicus]" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 14 no EMBL CAA58867 . "frequenin-like ubiquitous protein [Homo sapiens]" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 15 no EMBL CAG05167 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 100.00 190 97.89 99.47 4.72e-133 . . . . 6942 1 16 no EMBL CAH90617 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 190 99.47 99.47 1.32e-134 . . . . 6942 1 17 no EMBL CAJ81731 . "frequenin homolog (Drosophila) [Xenopus (Silurana) tropicalis]" . . . . . 100.00 190 99.47 100.00 2.77e-135 . . . . 6942 1 18 no GB AAA85633 . "mouse neuronal calcium sensor homologue [Gallus gallus]" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 19 no GB AAA88510 . "neuronal calcium sensor [Rattus norvegicus]" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 20 no GB AAC59690 . "frequenin [Xenopus laevis]" . . . . . 100.00 190 98.95 99.47 1.29e-134 . . . . 6942 1 21 no GB AAD01642 . "neuronal calcium sensor-1 [Mus musculus]" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 22 no GB AAF01804 . "frequenin [Homo sapiens]" . . . . . 100.00 190 98.95 98.95 9.16e-134 . . . . 6942 1 23 no REF NP_001018350 . "neuronal calcium sensor 1 [Danio rerio]" . . . . . 100.00 190 97.89 100.00 2.89e-133 . . . . 6942 1 24 no REF NP_001035637 . "neuronal calcium sensor 1 [Bos taurus]" . . . . . 100.00 190 98.95 99.47 2.28e-134 . . . . 6942 1 25 no REF NP_001084088 . "neuronal calcium sensor 1 [Xenopus laevis]" . . . . . 100.00 190 98.95 99.47 1.29e-134 . . . . 6942 1 26 no REF NP_001085136 . "uncharacterized protein LOC432213 [Xenopus laevis]" . . . . . 100.00 190 98.95 100.00 1.24e-134 . . . . 6942 1 27 no REF NP_001122298 . "neuronal calcium sensor 1 isoform 2 [Homo sapiens]" . . . . . 88.42 172 100.00 100.00 5.09e-119 . . . . 6942 1 28 no SP P62166 . "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog; AltName: Full=Frequenin-like protein; Al" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 29 no SP P62167 . "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog; AltName: Full=Frequenin-like protein; Al" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 30 no SP P62168 . "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog; AltName: Full=Frequenin-like protein; Al" . . . . . 100.00 190 100.00 100.00 7.21e-136 . . . . 6942 1 31 no SP Q2V8Y7 . "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog [Bos taurus]" . . . . . 100.00 190 98.95 99.47 2.28e-134 . . . . 6942 1 32 no SP Q5RC90 . "RecName: Full=Neuronal calcium sensor 1; Short=NCS-1; AltName: Full=Frequenin homolog [Pongo abelii]" . . . . . 100.00 190 99.47 99.47 1.32e-134 . . . . 6942 1 33 no TPG DAA24173 . "TPA: frequenin homolog [Bos taurus]" . . . . . 88.42 168 99.40 99.40 8.48e-118 . . . . 6942 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 . MET . 6942 1 2 . GLY . 6942 1 3 . LYS . 6942 1 4 . SER . 6942 1 5 . ASN . 6942 1 6 . SER . 6942 1 7 . LYS . 6942 1 8 . LEU . 6942 1 9 . LYS . 6942 1 10 . PRO . 6942 1 11 . GLU . 6942 1 12 . VAL . 6942 1 13 . VAL . 6942 1 14 . GLU . 6942 1 15 . GLU . 6942 1 16 . LEU . 6942 1 17 . THR . 6942 1 18 . ARG . 6942 1 19 . LYS . 6942 1 20 . THR . 6942 1 21 . TYR . 6942 1 22 . PHE . 6942 1 23 . THR . 6942 1 24 . GLU . 6942 1 25 . LYS . 6942 1 26 . GLU . 6942 1 27 . VAL . 6942 1 28 . GLN . 6942 1 29 . GLN . 6942 1 30 . TRP . 6942 1 31 . TYR . 6942 1 32 . LYS . 6942 1 33 . GLY . 6942 1 34 . PHE . 6942 1 35 . ILE . 6942 1 36 . LYS . 6942 1 37 . ASP . 6942 1 38 . CYS . 6942 1 39 . PRO . 6942 1 40 . SER . 6942 1 41 . GLY . 6942 1 42 . GLN . 6942 1 43 . LEU . 6942 1 44 . ASP . 6942 1 45 . ALA . 6942 1 46 . ALA . 6942 1 47 . GLY . 6942 1 48 . PHE . 6942 1 49 . GLN . 6942 1 50 . LYS . 6942 1 51 . ILE . 6942 1 52 . TYR . 6942 1 53 . LYS . 6942 1 54 . GLN . 6942 1 55 . PHE . 6942 1 56 . PHE . 6942 1 57 . PRO . 6942 1 58 . PHE . 6942 1 59 . GLY . 6942 1 60 . ASP . 6942 1 61 . PRO . 6942 1 62 . THR . 6942 1 63 . LYS . 6942 1 64 . PHE . 6942 1 65 . ALA . 6942 1 66 . THR . 6942 1 67 . PHE . 6942 1 68 . VAL . 6942 1 69 . PHE . 6942 1 70 . ASN . 6942 1 71 . VAL . 6942 1 72 . PHE . 6942 1 73 . ASP . 6942 1 74 . GLU . 6942 1 75 . ASN . 6942 1 76 . LYS . 6942 1 77 . ASP . 6942 1 78 . GLY . 6942 1 79 . ARG . 6942 1 80 . ILE . 6942 1 81 . GLU . 6942 1 82 . PHE . 6942 1 83 . SER . 6942 1 84 . GLU . 6942 1 85 . PHE . 6942 1 86 . ILE . 6942 1 87 . GLN . 6942 1 88 . ALA . 6942 1 89 . LEU . 6942 1 90 . SER . 6942 1 91 . VAL . 6942 1 92 . THR . 6942 1 93 . SER . 6942 1 94 . ARG . 6942 1 95 . GLY . 6942 1 96 . THR . 6942 1 97 . LEU . 6942 1 98 . ASP . 6942 1 99 . GLU . 6942 1 100 . LYS . 6942 1 101 . LEU . 6942 1 102 . ARG . 6942 1 103 . TRP . 6942 1 104 . ALA . 6942 1 105 . PHE . 6942 1 106 . LYS . 6942 1 107 . LEU . 6942 1 108 . TYR . 6942 1 109 . ASP . 6942 1 110 . LEU . 6942 1 111 . ASP . 6942 1 112 . ASN . 6942 1 113 . ASP . 6942 1 114 . GLY . 6942 1 115 . TYR . 6942 1 116 . ILE . 6942 1 117 . THR . 6942 1 118 . ARG . 6942 1 119 . ASN . 6942 1 120 . GLU . 6942 1 121 . MET . 6942 1 122 . LEU . 6942 1 123 . ASP . 6942 1 124 . ILE . 6942 1 125 . VAL . 6942 1 126 . ASP . 6942 1 127 . ALA . 6942 1 128 . ILE . 6942 1 129 . TYR . 6942 1 130 . GLN . 6942 1 131 . MET . 6942 1 132 . VAL . 6942 1 133 . GLY . 6942 1 134 . ASN . 6942 1 135 . THR . 6942 1 136 . VAL . 6942 1 137 . GLU . 6942 1 138 . LEU . 6942 1 139 . PRO . 6942 1 140 . GLU . 6942 1 141 . GLU . 6942 1 142 . GLU . 6942 1 143 . ASN . 6942 1 144 . THR . 6942 1 145 . PRO . 6942 1 146 . GLU . 6942 1 147 . LYS . 6942 1 148 . ARG . 6942 1 149 . VAL . 6942 1 150 . ASP . 6942 1 151 . ARG . 6942 1 152 . ILE . 6942 1 153 . PHE . 6942 1 154 . ALA . 6942 1 155 . MET . 6942 1 156 . MET . 6942 1 157 . ASP . 6942 1 158 . LYS . 6942 1 159 . ASN . 6942 1 160 . ALA . 6942 1 161 . ASP . 6942 1 162 . GLY . 6942 1 163 . LYS . 6942 1 164 . LEU . 6942 1 165 . THR . 6942 1 166 . LEU . 6942 1 167 . GLN . 6942 1 168 . GLU . 6942 1 169 . PHE . 6942 1 170 . GLN . 6942 1 171 . GLU . 6942 1 172 . GLY . 6942 1 173 . SER . 6942 1 174 . LYS . 6942 1 175 . ALA . 6942 1 176 . ASP . 6942 1 177 . PRO . 6942 1 178 . SER . 6942 1 179 . ILE . 6942 1 180 . VAL . 6942 1 181 . GLN . 6942 1 182 . ALA . 6942 1 183 . LEU . 6942 1 184 . SER . 6942 1 185 . LEU . 6942 1 186 . TYR . 6942 1 187 . ASP . 6942 1 188 . GLY . 6942 1 189 . LEU . 6942 1 190 . VAL . 6942 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 . MET 1 1 6942 1 . GLY 2 2 6942 1 . LYS 3 3 6942 1 . SER 4 4 6942 1 . ASN 5 5 6942 1 . SER 6 6 6942 1 . LYS 7 7 6942 1 . LEU 8 8 6942 1 . LYS 9 9 6942 1 . PRO 10 10 6942 1 . GLU 11 11 6942 1 . VAL 12 12 6942 1 . VAL 13 13 6942 1 . GLU 14 14 6942 1 . GLU 15 15 6942 1 . LEU 16 16 6942 1 . THR 17 17 6942 1 . ARG 18 18 6942 1 . LYS 19 19 6942 1 . THR 20 20 6942 1 . TYR 21 21 6942 1 . PHE 22 22 6942 1 . THR 23 23 6942 1 . GLU 24 24 6942 1 . LYS 25 25 6942 1 . GLU 26 26 6942 1 . VAL 27 27 6942 1 . GLN 28 28 6942 1 . GLN 29 29 6942 1 . TRP 30 30 6942 1 . TYR 31 31 6942 1 . LYS 32 32 6942 1 . GLY 33 33 6942 1 . PHE 34 34 6942 1 . ILE 35 35 6942 1 . LYS 36 36 6942 1 . ASP 37 37 6942 1 . CYS 38 38 6942 1 . PRO 39 39 6942 1 . SER 40 40 6942 1 . GLY 41 41 6942 1 . GLN 42 42 6942 1 . LEU 43 43 6942 1 . ASP 44 44 6942 1 . ALA 45 45 6942 1 . ALA 46 46 6942 1 . GLY 47 47 6942 1 . PHE 48 48 6942 1 . GLN 49 49 6942 1 . LYS 50 50 6942 1 . ILE 51 51 6942 1 . TYR 52 52 6942 1 . LYS 53 53 6942 1 . GLN 54 54 6942 1 . PHE 55 55 6942 1 . PHE 56 56 6942 1 . PRO 57 57 6942 1 . PHE 58 58 6942 1 . GLY 59 59 6942 1 . ASP 60 60 6942 1 . PRO 61 61 6942 1 . THR 62 62 6942 1 . LYS 63 63 6942 1 . PHE 64 64 6942 1 . ALA 65 65 6942 1 . THR 66 66 6942 1 . PHE 67 67 6942 1 . VAL 68 68 6942 1 . PHE 69 69 6942 1 . ASN 70 70 6942 1 . VAL 71 71 6942 1 . PHE 72 72 6942 1 . ASP 73 73 6942 1 . GLU 74 74 6942 1 . ASN 75 75 6942 1 . LYS 76 76 6942 1 . ASP 77 77 6942 1 . GLY 78 78 6942 1 . ARG 79 79 6942 1 . ILE 80 80 6942 1 . GLU 81 81 6942 1 . PHE 82 82 6942 1 . SER 83 83 6942 1 . GLU 84 84 6942 1 . PHE 85 85 6942 1 . ILE 86 86 6942 1 . GLN 87 87 6942 1 . ALA 88 88 6942 1 . LEU 89 89 6942 1 . SER 90 90 6942 1 . VAL 91 91 6942 1 . THR 92 92 6942 1 . SER 93 93 6942 1 . ARG 94 94 6942 1 . GLY 95 95 6942 1 . THR 96 96 6942 1 . LEU 97 97 6942 1 . ASP 98 98 6942 1 . GLU 99 99 6942 1 . LYS 100 100 6942 1 . LEU 101 101 6942 1 . ARG 102 102 6942 1 . TRP 103 103 6942 1 . ALA 104 104 6942 1 . PHE 105 105 6942 1 . LYS 106 106 6942 1 . LEU 107 107 6942 1 . TYR 108 108 6942 1 . ASP 109 109 6942 1 . LEU 110 110 6942 1 . ASP 111 111 6942 1 . ASN 112 112 6942 1 . ASP 113 113 6942 1 . GLY 114 114 6942 1 . TYR 115 115 6942 1 . ILE 116 116 6942 1 . THR 117 117 6942 1 . ARG 118 118 6942 1 . ASN 119 119 6942 1 . GLU 120 120 6942 1 . MET 121 121 6942 1 . LEU 122 122 6942 1 . ASP 123 123 6942 1 . ILE 124 124 6942 1 . VAL 125 125 6942 1 . ASP 126 126 6942 1 . ALA 127 127 6942 1 . ILE 128 128 6942 1 . TYR 129 129 6942 1 . GLN 130 130 6942 1 . MET 131 131 6942 1 . VAL 132 132 6942 1 . GLY 133 133 6942 1 . ASN 134 134 6942 1 . THR 135 135 6942 1 . VAL 136 136 6942 1 . GLU 137 137 6942 1 . LEU 138 138 6942 1 . PRO 139 139 6942 1 . GLU 140 140 6942 1 . GLU 141 141 6942 1 . GLU 142 142 6942 1 . ASN 143 143 6942 1 . THR 144 144 6942 1 . PRO 145 145 6942 1 . GLU 146 146 6942 1 . LYS 147 147 6942 1 . ARG 148 148 6942 1 . VAL 149 149 6942 1 . ASP 150 150 6942 1 . ARG 151 151 6942 1 . ILE 152 152 6942 1 . PHE 153 153 6942 1 . ALA 154 154 6942 1 . MET 155 155 6942 1 . MET 156 156 6942 1 . ASP 157 157 6942 1 . LYS 158 158 6942 1 . ASN 159 159 6942 1 . ALA 160 160 6942 1 . ASP 161 161 6942 1 . GLY 162 162 6942 1 . LYS 163 163 6942 1 . LEU 164 164 6942 1 . THR 165 165 6942 1 . LEU 166 166 6942 1 . GLN 167 167 6942 1 . GLU 168 168 6942 1 . PHE 169 169 6942 1 . GLN 170 170 6942 1 . GLU 171 171 6942 1 . GLY 172 172 6942 1 . SER 173 173 6942 1 . LYS 174 174 6942 1 . ALA 175 175 6942 1 . ASP 176 176 6942 1 . PRO 177 177 6942 1 . SER 178 178 6942 1 . ILE 179 179 6942 1 . VAL 180 180 6942 1 . GLN 181 181 6942 1 . ALA 182 182 6942 1 . LEU 183 183 6942 1 . SER 184 184 6942 1 . LEU 185 185 6942 1 . TYR 186 186 6942 1 . ASP 187 187 6942 1 . GLY 188 188 6942 1 . LEU 189 189 6942 1 . VAL 190 190 6942 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 6942 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 6942 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6942 _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 $myristoylated_NCS-1 . 10116 organism . 'Rattus norvegicuss' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 6942 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 6942 _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 $myristoylated_NCS-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6942 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 6942 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:51:10 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 6942 CA [Ca++] SMILES CACTVS 3.341 6942 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 6942 CA [Ca+2] SMILES ACDLabs 10.04 6942 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 6942 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6942 CA InChI=1S/Ca/q+2 InChI InChI 1.03 6942 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 6942 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6942 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6942 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_myr-NCS-1 _Sample.Sf_category sample _Sample.Sf_framecode myr-NCS-1 _Sample.Entry_ID 6942 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'myristoylated neuronal calcium sensor-1 protein' '[U-13C; U-15N]' . . 1 $myristoylated_NCS-1 . protein 2 1 . mM . . . . 6942 1 2 'Tris buffer' . . . . . . buffer 50 . . mM . . . . 6942 1 3 KCl . . . . . . salt 100 . . mM . . . . 6942 1 4 DTT . . . . . . 'reducing agent' 1 . . mM . . . . 6942 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6942 _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' 100 1 mM 6942 1 pH 7.2 0.05 pH 6942 1 temperature 298 0.2 K 6942 1 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 6942 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6942 _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 1H15N_HSQC no . . . . . . . . . . 1 $myr-NCS-1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6942 1 2 CBCANH no . . . . . . . . . . 1 $myr-NCS-1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6942 1 3 CBCACONH no . . . . . . . . . . 1 $myr-NCS-1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6942 1 4 1H15N_NOESY-HSQC no . . . . . . . . . . 1 $myr-NCS-1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6942 1 5 HCCH_COSY no . . . . . . . . . . 1 $myr-NCS-1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6942 1 6 HNCO no . . . . . . . . . . 1 $myr-NCS-1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6942 1 7 1H15N_TOCSY-HSQC no . . . . . . . . . . 1 $myr-NCS-1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6942 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6942 _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 0.0 . indirect 0.251449530 . . . 1 $citations_Myristoylated_NCS-1 . . 1 $citations_Myristoylated_NCS-1 6942 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citations_Myristoylated_NCS-1 . . 1 $citations_Myristoylated_NCS-1 6942 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citations_Myristoylated_NCS-1 . . 1 $citations_Myristoylated_NCS-1 6942 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6942 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . 1H15N_HSQC 1 $myr-NCS-1 isotropic 6942 1 . CBCANH 1 $myr-NCS-1 isotropic 6942 1 . CBCACONH 1 $myr-NCS-1 isotropic 6942 1 . 1H15N_NOESY-HSQC 1 $myr-NCS-1 isotropic 6942 1 . HCCH_COSY 1 $myr-NCS-1 isotropic 6942 1 . HNCO 1 $myr-NCS-1 isotropic 6942 1 . 1H15N_TOCSY-HSQC 1 $myr-NCS-1 isotropic 6942 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 8 8 LEU H H 1 8.46 0.05 . 1 . . . . 8 LEU H . 6942 1 2 . 1 1 8 8 LEU HA H 1 4.04 0.05 . 1 . . . . 8 LEU HA . 6942 1 3 . 1 1 8 8 LEU HB2 H 1 1.79 0.05 . 2 . . . . 8 LEU HB2 . 6942 1 4 . 1 1 8 8 LEU HB3 H 1 1.7 0.05 . 2 . . . . 8 LEU HB3 . 6942 1 5 . 1 1 8 8 LEU HG H 1 1.38 0.05 . 1 . . . . 8 LEU HG . 6942 1 6 . 1 1 8 8 LEU HD11 H 1 0.95 0.05 . 2 . . . . 8 LEU HD1 . 6942 1 7 . 1 1 8 8 LEU HD12 H 1 0.95 0.05 . 2 . . . . 8 LEU HD1 . 6942 1 8 . 1 1 8 8 LEU HD13 H 1 0.95 0.05 . 2 . . . . 8 LEU HD1 . 6942 1 9 . 1 1 8 8 LEU HD21 H 1 0.95 0.05 . 2 . . . . 8 LEU HD2 . 6942 1 10 . 1 1 8 8 LEU HD22 H 1 0.95 0.05 . 2 . . . . 8 LEU HD2 . 6942 1 11 . 1 1 8 8 LEU HD23 H 1 0.95 0.05 . 2 . . . . 8 LEU HD2 . 6942 1 12 . 1 1 8 8 LEU C C 13 177.16 0.15 . 1 . . . . 8 LEU C . 6942 1 13 . 1 1 8 8 LEU CA C 13 54.23 0.15 . 1 . . . . 8 LEU CA . 6942 1 14 . 1 1 8 8 LEU CB C 13 43.08 0.15 . 1 . . . . 8 LEU CB . 6942 1 15 . 1 1 8 8 LEU CG C 13 26.69 0.15 . 1 . . . . 8 LEU CG . 6942 1 16 . 1 1 8 8 LEU CD1 C 13 23.83 0.15 . 1 . . . . 8 LEU CD1 . 6942 1 17 . 1 1 8 8 LEU CD2 C 13 23.16 0.15 . 1 . . . . 8 LEU CD2 . 6942 1 18 . 1 1 8 8 LEU N N 15 124.33 0.15 . 1 . . . . 8 LEU N . 6942 1 19 . 1 1 9 9 LYS H H 1 8.4 0.05 . 1 . . . . 9 LYS H . 6942 1 20 . 1 1 9 9 LYS HA H 1 4.45 0.05 . 1 . . . . 9 LYS HA . 6942 1 21 . 1 1 9 9 LYS HB2 H 1 2.13 0.05 . 2 . . . . 9 LYS HB2 . 6942 1 22 . 1 1 9 9 LYS HB3 H 1 2.14 0.05 . 2 . . . . 9 LYS HB3 . 6942 1 23 . 1 1 9 9 LYS HG2 H 1 1.74 0.05 . 2 . . . . 9 LYS HG2 . 6942 1 24 . 1 1 9 9 LYS HG3 H 1 1.67 0.05 . 2 . . . . 9 LYS HG3 . 6942 1 25 . 1 1 9 9 LYS HD2 H 1 1.69 0.05 . 1 . . . . 9 LYS HD2 . 6942 1 26 . 1 1 9 9 LYS HD3 H 1 1.69 0.05 . 1 . . . . 9 LYS HD3 . 6942 1 27 . 1 1 9 9 LYS HE2 H 1 2.87 0.05 . 1 . . . . 9 LYS HE2 . 6942 1 28 . 1 1 9 9 LYS HE3 H 1 2.87 0.05 . 1 . . . . 9 LYS HE3 . 6942 1 29 . 1 1 9 9 LYS CA C 13 55.04 0.15 . 1 . . . . 9 LYS CA . 6942 1 30 . 1 1 9 9 LYS CB C 13 31.93 0.15 . 1 . . . . 9 LYS CB . 6942 1 31 . 1 1 9 9 LYS CG C 13 20.94 0.15 . 1 . . . . 9 LYS CG . 6942 1 32 . 1 1 9 9 LYS CD C 13 26.21 0.15 . 1 . . . . 9 LYS CD . 6942 1 33 . 1 1 9 9 LYS CE C 13 43.2 0.15 . 1 . . . . 9 LYS CE . 6942 1 34 . 1 1 9 9 LYS N N 15 124.49 0.15 . 1 . . . . 9 LYS N . 6942 1 35 . 1 1 10 10 PRO C C 13 178.75 0.15 . 1 . . . . 10 PRO C . 6942 1 36 . 1 1 10 10 PRO CA C 13 65.65 0.15 . 1 . . . . 10 PRO CA . 6942 1 37 . 1 1 11 11 GLU H H 1 9.95 0.05 . 1 . . . . 11 GLU H . 6942 1 38 . 1 1 11 11 GLU HA H 1 4.17 0.05 . 1 . . . . 11 GLU HA . 6942 1 39 . 1 1 11 11 GLU HB2 H 1 2 0.05 . 2 . . . . 11 GLU HB2 . 6942 1 40 . 1 1 11 11 GLU HB3 H 1 2.02 0.05 . 2 . . . . 11 GLU HB3 . 6942 1 41 . 1 1 11 11 GLU HG2 H 1 2.37 0.05 . 2 . . . . 11 GLU HG2 . 6942 1 42 . 1 1 11 11 GLU HG3 H 1 2.36 0.05 . 2 . . . . 11 GLU HG3 . 6942 1 43 . 1 1 11 11 GLU C C 13 179.2 0.15 . 1 . . . . 11 GLU C . 6942 1 44 . 1 1 11 11 GLU CA C 13 59.66 0.15 . 1 . . . . 11 GLU CA . 6942 1 45 . 1 1 11 11 GLU CB C 13 28.36 0.15 . 1 . . . . 11 GLU CB . 6942 1 46 . 1 1 11 11 GLU CG C 13 36.37 0.15 . 1 . . . . 11 GLU CG . 6942 1 47 . 1 1 11 11 GLU N N 15 117.24 0.15 . 1 . . . . 11 GLU N . 6942 1 48 . 1 1 12 12 VAL H H 1 7.4 0.05 . 1 . . . . 12 VAL H . 6942 1 49 . 1 1 12 12 VAL HA H 1 3.91 0.05 . 1 . . . . 12 VAL HA . 6942 1 50 . 1 1 12 12 VAL HB H 1 2.2 0.05 . 1 . . . . 12 VAL HB . 6942 1 51 . 1 1 12 12 VAL HG11 H 1 1.04 0.05 . 2 . . . . 12 VAL HG1 . 6942 1 52 . 1 1 12 12 VAL HG12 H 1 1.04 0.05 . 2 . . . . 12 VAL HG1 . 6942 1 53 . 1 1 12 12 VAL HG13 H 1 1.04 0.05 . 2 . . . . 12 VAL HG1 . 6942 1 54 . 1 1 12 12 VAL HG21 H 1 1.05 0.05 . 2 . . . . 12 VAL HG2 . 6942 1 55 . 1 1 12 12 VAL HG22 H 1 1.05 0.05 . 2 . . . . 12 VAL HG2 . 6942 1 56 . 1 1 12 12 VAL HG23 H 1 1.05 0.05 . 2 . . . . 12 VAL HG2 . 6942 1 57 . 1 1 12 12 VAL C C 13 177.73 0.15 . 1 . . . . 12 VAL C . 6942 1 58 . 1 1 12 12 VAL CA C 13 65.1 0.15 . 1 . . . . 12 VAL CA . 6942 1 59 . 1 1 12 12 VAL CB C 13 31.93 0.15 . 1 . . . . 12 VAL CB . 6942 1 60 . 1 1 12 12 VAL CG1 C 13 20.17 0.15 . 1 . . . . 12 VAL CG1 . 6942 1 61 . 1 1 12 12 VAL CG2 C 13 20.2 0.15 . 1 . . . . 12 VAL CG2 . 6942 1 62 . 1 1 12 12 VAL N N 15 122.34 0.15 . 1 . . . . 12 VAL N . 6942 1 63 . 1 1 13 13 VAL H H 1 7.73 0.05 . 1 . . . . 13 VAL H . 6942 1 64 . 1 1 13 13 VAL HA H 1 4.17 0.05 . 1 . . . . 13 VAL HA . 6942 1 65 . 1 1 13 13 VAL HB H 1 2.05 0.05 . 1 . . . . 13 VAL HB . 6942 1 66 . 1 1 13 13 VAL HG11 H 1 0.89 0.05 . 2 . . . . 13 VAL HG1 . 6942 1 67 . 1 1 13 13 VAL HG12 H 1 0.89 0.05 . 2 . . . . 13 VAL HG1 . 6942 1 68 . 1 1 13 13 VAL HG13 H 1 0.89 0.05 . 2 . . . . 13 VAL HG1 . 6942 1 69 . 1 1 13 13 VAL HG21 H 1 0.99 0.05 . 2 . . . . 13 VAL HG2 . 6942 1 70 . 1 1 13 13 VAL HG22 H 1 0.99 0.05 . 2 . . . . 13 VAL HG2 . 6942 1 71 . 1 1 13 13 VAL HG23 H 1 0.99 0.05 . 2 . . . . 13 VAL HG2 . 6942 1 72 . 1 1 13 13 VAL C C 13 178.17 0.15 . 1 . . . . 13 VAL C . 6942 1 73 . 1 1 13 13 VAL CA C 13 67.28 0.15 . 1 . . . . 13 VAL CA . 6942 1 74 . 1 1 13 13 VAL CB C 13 31.93 0.15 . 1 . . . . 13 VAL CB . 6942 1 75 . 1 1 13 13 VAL CG1 C 13 20.91 0.15 . 1 . . . . 13 VAL CG1 . 6942 1 76 . 1 1 13 13 VAL CG2 C 13 20.91 0.15 . 1 . . . . 13 VAL CG2 . 6942 1 77 . 1 1 13 13 VAL N N 15 120.13 0.15 . 1 . . . . 13 VAL N . 6942 1 78 . 1 1 14 14 GLU H H 1 8.3 0.05 . 1 . . . . 14 GLU H . 6942 1 79 . 1 1 14 14 GLU HA H 1 4.01 0.05 . 1 . . . . 14 GLU HA . 6942 1 80 . 1 1 14 14 GLU HB2 H 1 2.04 0.05 . 2 . . . . 14 GLU HB2 . 6942 1 81 . 1 1 14 14 GLU HB3 H 1 2.09 0.05 . 2 . . . . 14 GLU HB3 . 6942 1 82 . 1 1 14 14 GLU HG2 H 1 2.35 0.05 . 2 . . . . 14 GLU HG2 . 6942 1 83 . 1 1 14 14 GLU HG3 H 1 2.37 0.05 . 2 . . . . 14 GLU HG3 . 6942 1 84 . 1 1 14 14 GLU C C 13 178.71 0.15 . 1 . . . . 14 GLU C . 6942 1 85 . 1 1 14 14 GLU CA C 13 59.66 0.15 . 1 . . . . 14 GLU CA . 6942 1 86 . 1 1 14 14 GLU CB C 13 29.48 0.15 . 1 . . . . 14 GLU CB . 6942 1 87 . 1 1 14 14 GLU CG C 13 35.95 0.15 . 1 . . . . 14 GLU CG . 6942 1 88 . 1 1 14 14 GLU N N 15 119.16 0.15 . 1 . . . . 14 GLU N . 6942 1 89 . 1 1 15 15 GLU H H 1 7.47 0.05 . 1 . . . . 15 GLU H . 6942 1 90 . 1 1 15 15 GLU HA H 1 3.93 0.05 . 1 . . . . 15 GLU HA . 6942 1 91 . 1 1 15 15 GLU HB2 H 1 2.01 0.05 . 2 . . . . 15 GLU HB2 . 6942 1 92 . 1 1 15 15 GLU HB3 H 1 2.07 0.05 . 2 . . . . 15 GLU HB3 . 6942 1 93 . 1 1 15 15 GLU HG2 H 1 2.3 0.05 . 2 . . . . 15 GLU HG2 . 6942 1 94 . 1 1 15 15 GLU HG3 H 1 2.2 0.05 . 2 . . . . 15 GLU HG3 . 6942 1 95 . 1 1 15 15 GLU C C 13 178.86 0.15 . 1 . . . . 15 GLU C . 6942 1 96 . 1 1 15 15 GLU CA C 13 59.39 0.15 . 1 . . . . 15 GLU CA . 6942 1 97 . 1 1 15 15 GLU CB C 13 29.75 0.15 . 1 . . . . 15 GLU CB . 6942 1 98 . 1 1 15 15 GLU CG C 13 36.15 0.15 . 1 . . . . 15 GLU CG . 6942 1 99 . 1 1 15 15 GLU N N 15 119.58 0.15 . 1 . . . . 15 GLU N . 6942 1 100 . 1 1 16 16 LEU H H 1 8.43 0.05 . 1 . . . . 16 LEU H . 6942 1 101 . 1 1 16 16 LEU HA H 1 4.05 0.05 . 1 . . . . 16 LEU HA . 6942 1 102 . 1 1 16 16 LEU HB2 H 1 1.72 0.05 . 2 . . . . 16 LEU HB2 . 6942 1 103 . 1 1 16 16 LEU HB3 H 1 1.65 0.05 . 2 . . . . 16 LEU HB3 . 6942 1 104 . 1 1 16 16 LEU HG H 1 1.23 0.05 . 1 . . . . 16 LEU HG . 6942 1 105 . 1 1 16 16 LEU HD11 H 1 0.86 0.05 . 2 . . . . 16 LEU HD1 . 6942 1 106 . 1 1 16 16 LEU HD12 H 1 0.86 0.05 . 2 . . . . 16 LEU HD1 . 6942 1 107 . 1 1 16 16 LEU HD13 H 1 0.86 0.05 . 2 . . . . 16 LEU HD1 . 6942 1 108 . 1 1 16 16 LEU C C 13 180.32 0.15 . 1 . . . . 16 LEU C . 6942 1 109 . 1 1 16 16 LEU CA C 13 57.76 0.15 . 1 . . . . 16 LEU CA . 6942 1 110 . 1 1 16 16 LEU CB C 13 41.99 0.15 . 1 . . . . 16 LEU CB . 6942 1 111 . 1 1 16 16 LEU CG C 13 26.87 0.15 . 1 . . . . 16 LEU CG . 6942 1 112 . 1 1 16 16 LEU CD1 C 13 23.73 0.15 . 1 . . . . 16 LEU CD1 . 6942 1 113 . 1 1 16 16 LEU CD2 C 13 23.42 0.15 . 1 . . . . 16 LEU CD2 . 6942 1 114 . 1 1 16 16 LEU N N 15 117.54 0.15 . 1 . . . . 16 LEU N . 6942 1 115 . 1 1 17 17 THR H H 1 8.62 0.05 . 1 . . . . 17 THR H . 6942 1 116 . 1 1 17 17 THR HA H 1 4.16 0.05 . 1 . . . . 17 THR HA . 6942 1 117 . 1 1 17 17 THR HB H 1 4.35 0.05 . 1 . . . . 17 THR HB . 6942 1 118 . 1 1 17 17 THR HG21 H 1 1.29 0.05 . 1 . . . . 17 THR HG2 . 6942 1 119 . 1 1 17 17 THR HG22 H 1 1.29 0.05 . 1 . . . . 17 THR HG2 . 6942 1 120 . 1 1 17 17 THR HG23 H 1 1.29 0.05 . 1 . . . . 17 THR HG2 . 6942 1 121 . 1 1 17 17 THR C C 13 179.11 0.15 . 1 . . . . 17 THR C . 6942 1 122 . 1 1 17 17 THR CA C 13 65.1 0.15 . 1 . . . . 17 THR CA . 6942 1 123 . 1 1 17 17 THR CB C 13 69.18 0.15 . 1 . . . . 17 THR CB . 6942 1 124 . 1 1 17 17 THR CG2 C 13 21.84 0.15 . 1 . . . . 17 THR CG2 . 6942 1 125 . 1 1 17 17 THR N N 15 114.61 0.15 . 1 . . . . 17 THR N . 6942 1 126 . 1 1 18 18 ARG H H 1 7.5 0.05 . 1 . . . . 18 ARG H . 6942 1 127 . 1 1 18 18 ARG HA H 1 4.23 0.05 . 1 . . . . 18 ARG HA . 6942 1 128 . 1 1 18 18 ARG HB2 H 1 1.97 0.05 . 2 . . . . 18 ARG HB2 . 6942 1 129 . 1 1 18 18 ARG HB3 H 1 1.99 0.05 . 2 . . . . 18 ARG HB3 . 6942 1 130 . 1 1 18 18 ARG HG2 H 1 1.75 0.05 . 2 . . . . 18 ARG HG2 . 6942 1 131 . 1 1 18 18 ARG HG3 H 1 1.74 0.05 . 2 . . . . 18 ARG HG3 . 6942 1 132 . 1 1 18 18 ARG HD2 H 1 3.24 0.05 . 2 . . . . 18 ARG HD2 . 6942 1 133 . 1 1 18 18 ARG HD3 H 1 3.13 0.05 . 2 . . . . 18 ARG HD3 . 6942 1 134 . 1 1 18 18 ARG C C 13 178.28 0.15 . 1 . . . . 18 ARG C . 6942 1 135 . 1 1 18 18 ARG CA C 13 58.3 0.15 . 1 . . . . 18 ARG CA . 6942 1 136 . 1 1 18 18 ARG CB C 13 30.84 0.15 . 1 . . . . 18 ARG CB . 6942 1 137 . 1 1 18 18 ARG CD C 13 43.44 0.15 . 1 . . . . 18 ARG CD . 6942 1 138 . 1 1 18 18 ARG N N 15 119.51 0.15 . 1 . . . . 18 ARG N . 6942 1 139 . 1 1 19 19 LYS H H 1 7.59 0.05 . 1 . . . . 19 LYS H . 6942 1 140 . 1 1 19 19 LYS HA H 1 4.3 0.05 . 1 . . . . 19 LYS HA . 6942 1 141 . 1 1 19 19 LYS HB2 H 1 1.91 0.05 . 2 . . . . 19 LYS HB2 . 6942 1 142 . 1 1 19 19 LYS HB3 H 1 1.93 0.05 . 2 . . . . 19 LYS HB3 . 6942 1 143 . 1 1 19 19 LYS HG2 H 1 1.59 0.05 . 2 . . . . 19 LYS HG2 . 6942 1 144 . 1 1 19 19 LYS HG3 H 1 1.75 0.05 . 2 . . . . 19 LYS HG3 . 6942 1 145 . 1 1 19 19 LYS HD2 H 1 1.61 0.05 . 1 . . . . 19 LYS HD2 . 6942 1 146 . 1 1 19 19 LYS HD3 H 1 1.61 0.05 . 1 . . . . 19 LYS HD3 . 6942 1 147 . 1 1 19 19 LYS HE2 H 1 2.93 0.05 . 1 . . . . 19 LYS HE2 . 6942 1 148 . 1 1 19 19 LYS HE3 H 1 2.93 0.05 . 1 . . . . 19 LYS HE3 . 6942 1 149 . 1 1 19 19 LYS C C 13 175.67 0.15 . 1 . . . . 19 LYS C . 6942 1 150 . 1 1 19 19 LYS CA C 13 56.67 0.15 . 1 . . . . 19 LYS CA . 6942 1 151 . 1 1 19 19 LYS CB C 13 32.84 0.15 . 1 . . . . 19 LYS CB . 6942 1 152 . 1 1 19 19 LYS CG C 13 24.93 0.15 . 1 . . . . 19 LYS CG . 6942 1 153 . 1 1 19 19 LYS CD C 13 29.31 0.15 . 1 . . . . 19 LYS CD . 6942 1 154 . 1 1 19 19 LYS CE C 13 42.01 0.15 . 1 . . . . 19 LYS CE . 6942 1 155 . 1 1 19 19 LYS N N 15 115.83 0.15 . 1 . . . . 19 LYS N . 6942 1 156 . 1 1 20 20 THR H H 1 7.39 0.05 . 1 . . . . 20 THR H . 6942 1 157 . 1 1 20 20 THR HA H 1 4.9 0.05 . 1 . . . . 20 THR HA . 6942 1 158 . 1 1 20 20 THR HB H 1 4.07 0.05 . 1 . . . . 20 THR HB . 6942 1 159 . 1 1 20 20 THR HG21 H 1 1.18 0.05 . 1 . . . . 20 THR HG2 . 6942 1 160 . 1 1 20 20 THR HG22 H 1 1.18 0.05 . 1 . . . . 20 THR HG2 . 6942 1 161 . 1 1 20 20 THR HG23 H 1 1.18 0.05 . 1 . . . . 20 THR HG2 . 6942 1 162 . 1 1 20 20 THR C C 13 173.13 0.15 . 1 . . . . 20 THR C . 6942 1 163 . 1 1 20 20 THR CA C 13 60.21 0.15 . 1 . . . . 20 THR CA . 6942 1 164 . 1 1 20 20 THR CB C 13 69.64 0.15 . 1 . . . . 20 THR CB . 6942 1 165 . 1 1 20 20 THR CG2 C 13 20.03 0.15 . 1 . . . . 20 THR CG2 . 6942 1 166 . 1 1 20 20 THR N N 15 108.84 0.15 . 1 . . . . 20 THR N . 6942 1 167 . 1 1 21 21 TYR H H 1 7.67 0.05 . 1 . . . . 21 TYR H . 6942 1 168 . 1 1 21 21 TYR HA H 1 4.58 0.05 . 1 . . . . 21 TYR HA . 6942 1 169 . 1 1 21 21 TYR HB2 H 1 2.91 0.05 . 1 . . . . 21 TYR HB2 . 6942 1 170 . 1 1 21 21 TYR HB3 H 1 2.91 0.05 . 1 . . . . 21 TYR HB3 . 6942 1 171 . 1 1 21 21 TYR C C 13 175.93 0.15 . 1 . . . . 21 TYR C . 6942 1 172 . 1 1 21 21 TYR CA C 13 57.49 0.15 . 1 . . . . 21 TYR CA . 6942 1 173 . 1 1 21 21 TYR CB C 13 39 0.15 . 1 . . . . 21 TYR CB . 6942 1 174 . 1 1 21 21 TYR N N 15 114.46 0.15 . 1 . . . . 21 TYR N . 6942 1 175 . 1 1 22 22 PHE H H 1 7.74 0.05 . 1 . . . . 22 PHE H . 6942 1 176 . 1 1 22 22 PHE HA H 1 5.12 0.05 . 1 . . . . 22 PHE HA . 6942 1 177 . 1 1 22 22 PHE HB2 H 1 2.8 0.05 . 2 . . . . 22 PHE HB2 . 6942 1 178 . 1 1 22 22 PHE HB3 H 1 2.77 0.05 . 2 . . . . 22 PHE HB3 . 6942 1 179 . 1 1 22 22 PHE C C 13 176.18 0.15 . 1 . . . . 22 PHE C . 6942 1 180 . 1 1 22 22 PHE CA C 13 57.49 0.15 . 1 . . . . 22 PHE CA . 6942 1 181 . 1 1 22 22 PHE CB C 13 41.45 0.15 . 1 . . . . 22 PHE CB . 6942 1 182 . 1 1 22 22 PHE N N 15 119.37 0.15 . 1 . . . . 22 PHE N . 6942 1 183 . 1 1 23 23 THR H H 1 9.44 0.05 . 1 . . . . 23 THR H . 6942 1 184 . 1 1 23 23 THR HA H 1 4.59 0.05 . 1 . . . . 23 THR HA . 6942 1 185 . 1 1 23 23 THR HB H 1 4.41 0.05 . 1 . . . . 23 THR HB . 6942 1 186 . 1 1 23 23 THR HG21 H 1 1.42 0.05 . 1 . . . . 23 THR HG2 . 6942 1 187 . 1 1 23 23 THR HG22 H 1 1.42 0.05 . 1 . . . . 23 THR HG2 . 6942 1 188 . 1 1 23 23 THR HG23 H 1 1.42 0.05 . 1 . . . . 23 THR HG2 . 6942 1 189 . 1 1 23 23 THR C C 13 175.58 0.15 . 1 . . . . 23 THR C . 6942 1 190 . 1 1 23 23 THR CA C 13 60.48 0.15 . 1 . . . . 23 THR CA . 6942 1 191 . 1 1 23 23 THR CB C 13 69.64 0.15 . 1 . . . . 23 THR CB . 6942 1 192 . 1 1 23 23 THR CG2 C 13 19.36 0.15 . 1 . . . . 23 THR CG2 . 6942 1 193 . 1 1 23 23 THR N N 15 112.29 0.15 . 1 . . . . 23 THR N . 6942 1 194 . 1 1 24 24 GLU H H 1 9.23 0.05 . 1 . . . . 24 GLU H . 6942 1 195 . 1 1 24 24 GLU HA H 1 4.53 0.05 . 1 . . . . 24 GLU HA . 6942 1 196 . 1 1 24 24 GLU HB2 H 1 2.12 0.05 . 2 . . . . 24 GLU HB2 . 6942 1 197 . 1 1 24 24 GLU HB3 H 1 2.04 0.05 . 2 . . . . 24 GLU HB3 . 6942 1 198 . 1 1 24 24 GLU HG2 H 1 2.35 0.05 . 2 . . . . 24 GLU HG2 . 6942 1 199 . 1 1 24 24 GLU HG3 H 1 2.36 0.05 . 2 . . . . 24 GLU HG3 . 6942 1 200 . 1 1 24 24 GLU C C 13 178.7 0.15 . 1 . . . . 24 GLU C . 6942 1 201 . 1 1 24 24 GLU CA C 13 60.48 0.15 . 1 . . . . 24 GLU CA . 6942 1 202 . 1 1 24 24 GLU CB C 13 29.21 0.15 . 1 . . . . 24 GLU CB . 6942 1 203 . 1 1 24 24 GLU CG C 13 34.2 0.15 . 1 . . . . 24 GLU CG . 6942 1 204 . 1 1 24 24 GLU N N 15 121 0.15 . 1 . . . . 24 GLU N . 6942 1 205 . 1 1 25 25 LYS H H 1 8.14 0.05 . 1 . . . . 25 LYS H . 6942 1 206 . 1 1 25 25 LYS HA H 1 4.26 0.05 . 1 . . . . 25 LYS HA . 6942 1 207 . 1 1 25 25 LYS HB2 H 1 1.85 0.05 . 2 . . . . 25 LYS HB2 . 6942 1 208 . 1 1 25 25 LYS HB3 H 1 1.9 0.05 . 2 . . . . 25 LYS HB3 . 6942 1 209 . 1 1 25 25 LYS HG2 H 1 1.43 0.05 . 2 . . . . 25 LYS HG2 . 6942 1 210 . 1 1 25 25 LYS HG3 H 1 1.44 0.05 . 2 . . . . 25 LYS HG3 . 6942 1 211 . 1 1 25 25 LYS HD2 H 1 1.61 0.05 . 1 . . . . 25 LYS HD2 . 6942 1 212 . 1 1 25 25 LYS HD3 H 1 1.61 0.05 . 1 . . . . 25 LYS HD3 . 6942 1 213 . 1 1 25 25 LYS HE2 H 1 2.93 0.05 . 1 . . . . 25 LYS HE2 . 6942 1 214 . 1 1 25 25 LYS HE3 H 1 2.93 0.05 . 1 . . . . 25 LYS HE3 . 6942 1 215 . 1 1 25 25 LYS C C 13 179.72 0.15 . 1 . . . . 25 LYS C . 6942 1 216 . 1 1 25 25 LYS CA C 13 59.66 0.15 . 1 . . . . 25 LYS CA . 6942 1 217 . 1 1 25 25 LYS CB C 13 32.74 0.15 . 1 . . . . 25 LYS CB . 6942 1 218 . 1 1 25 25 LYS CG C 13 23.95 0.15 . 1 . . . . 25 LYS CG . 6942 1 219 . 1 1 25 25 LYS CD C 13 28.91 0.15 . 1 . . . . 25 LYS CD . 6942 1 220 . 1 1 25 25 LYS CE C 13 41.94 0.15 . 1 . . . . 25 LYS CE . 6942 1 221 . 1 1 25 25 LYS N N 15 117.74 0.15 . 1 . . . . 25 LYS N . 6942 1 222 . 1 1 26 26 GLU H H 1 7.68 0.05 . 1 . . . . 26 GLU H . 6942 1 223 . 1 1 26 26 GLU HA H 1 4.03 0.05 . 1 . . . . 26 GLU HA . 6942 1 224 . 1 1 26 26 GLU HB2 H 1 2.01 0.05 . 2 . . . . 26 GLU HB2 . 6942 1 225 . 1 1 26 26 GLU HB3 H 1 1.95 0.05 . 2 . . . . 26 GLU HB3 . 6942 1 226 . 1 1 26 26 GLU HG2 H 1 2.32 0.05 . 2 . . . . 26 GLU HG2 . 6942 1 227 . 1 1 26 26 GLU HG3 H 1 2.53 0.05 . 2 . . . . 26 GLU HG3 . 6942 1 228 . 1 1 26 26 GLU C C 13 177.68 0.15 . 1 . . . . 26 GLU C . 6942 1 229 . 1 1 26 26 GLU CA C 13 59.12 0.15 . 1 . . . . 26 GLU CA . 6942 1 230 . 1 1 26 26 GLU CB C 13 30.3 0.15 . 1 . . . . 26 GLU CB . 6942 1 231 . 1 1 26 26 GLU CG C 13 34.26 0.15 . 1 . . . . 26 GLU CG . 6942 1 232 . 1 1 26 26 GLU N N 15 119.45 0.15 . 1 . . . . 26 GLU N . 6942 1 233 . 1 1 27 27 VAL H H 1 9 0.05 . 1 . . . . 27 VAL H . 6942 1 234 . 1 1 27 27 VAL HA H 1 3.77 0.05 . 1 . . . . 27 VAL HA . 6942 1 235 . 1 1 27 27 VAL HB H 1 2.3 0.05 . 1 . . . . 27 VAL HB . 6942 1 236 . 1 1 27 27 VAL HG11 H 1 1.03 0.05 . 2 . . . . 27 VAL HG1 . 6942 1 237 . 1 1 27 27 VAL HG12 H 1 1.03 0.05 . 2 . . . . 27 VAL HG1 . 6942 1 238 . 1 1 27 27 VAL HG13 H 1 1.03 0.05 . 2 . . . . 27 VAL HG1 . 6942 1 239 . 1 1 27 27 VAL HG21 H 1 1.04 0.05 . 2 . . . . 27 VAL HG2 . 6942 1 240 . 1 1 27 27 VAL HG22 H 1 1.04 0.05 . 2 . . . . 27 VAL HG2 . 6942 1 241 . 1 1 27 27 VAL HG23 H 1 1.04 0.05 . 2 . . . . 27 VAL HG2 . 6942 1 242 . 1 1 27 27 VAL C C 13 177.98 0.15 . 1 . . . . 27 VAL C . 6942 1 243 . 1 1 27 27 VAL CA C 13 67.82 0.15 . 1 . . . . 27 VAL CA . 6942 1 244 . 1 1 27 27 VAL CB C 13 31.66 0.15 . 1 . . . . 27 VAL CB . 6942 1 245 . 1 1 27 27 VAL CG1 C 13 20.68 0.15 . 1 . . . . 27 VAL CG1 . 6942 1 246 . 1 1 27 27 VAL CG2 C 13 20.67 0.15 . 1 . . . . 27 VAL CG2 . 6942 1 247 . 1 1 27 27 VAL N N 15 119.82 0.15 . 1 . . . . 27 VAL N . 6942 1 248 . 1 1 28 28 GLN H H 1 8.01 0.05 . 1 . . . . 28 GLN H . 6942 1 249 . 1 1 28 28 GLN HA H 1 4.2 0.05 . 1 . . . . 28 GLN HA . 6942 1 250 . 1 1 28 28 GLN HB2 H 1 2.21 0.05 . 2 . . . . 28 GLN HB2 . 6942 1 251 . 1 1 28 28 GLN HB3 H 1 2.07 0.05 . 2 . . . . 28 GLN HB3 . 6942 1 252 . 1 1 28 28 GLN HG2 H 1 2.63 0.05 . 2 . . . . 28 GLN HG2 . 6942 1 253 . 1 1 28 28 GLN HG3 H 1 2.38 0.05 . 2 . . . . 28 GLN HG3 . 6942 1 254 . 1 1 28 28 GLN C C 13 176.48 0.15 . 1 . . . . 28 GLN C . 6942 1 255 . 1 1 28 28 GLN CA C 13 59.12 0.15 . 1 . . . . 28 GLN CA . 6942 1 256 . 1 1 28 28 GLN CB C 13 28.67 0.15 . 1 . . . . 28 GLN CB . 6942 1 257 . 1 1 28 28 GLN CG C 13 33.71 0.15 . 1 . . . . 28 GLN CG . 6942 1 258 . 1 1 28 28 GLN N N 15 116.22 0.15 . 1 . . . . 28 GLN N . 6942 1 259 . 1 1 29 29 GLN H H 1 8.18 0.05 . 1 . . . . 29 GLN H . 6942 1 260 . 1 1 29 29 GLN HA H 1 4.03 0.05 . 1 . . . . 29 GLN HA . 6942 1 261 . 1 1 29 29 GLN HB2 H 1 1.94 0.05 . 1 . . . . 29 GLN HB2 . 6942 1 262 . 1 1 29 29 GLN HB3 H 1 1.94 0.05 . 1 . . . . 29 GLN HB3 . 6942 1 263 . 1 1 29 29 GLN HG2 H 1 2.27 0.05 . 2 . . . . 29 GLN HG2 . 6942 1 264 . 1 1 29 29 GLN HG3 H 1 2.15 0.05 . 2 . . . . 29 GLN HG3 . 6942 1 265 . 1 1 29 29 GLN C C 13 179.63 0.15 . 1 . . . . 29 GLN C . 6942 1 266 . 1 1 29 29 GLN CA C 13 59.12 0.15 . 1 . . . . 29 GLN CA . 6942 1 267 . 1 1 29 29 GLN CB C 13 28.66 0.15 . 1 . . . . 29 GLN CB . 6942 1 268 . 1 1 29 29 GLN CG C 13 33.65 0.15 . 1 . . . . 29 GLN CG . 6942 1 269 . 1 1 29 29 GLN N N 15 121.01 0.15 . 1 . . . . 29 GLN N . 6942 1 270 . 1 1 30 30 TRP H H 1 8.8 0.05 . 1 . . . . 30 TRP H . 6942 1 271 . 1 1 30 30 TRP HA H 1 4.64 0.05 . 1 . . . . 30 TRP HA . 6942 1 272 . 1 1 30 30 TRP HB2 H 1 3.44 0.05 . 2 . . . . 30 TRP HB2 . 6942 1 273 . 1 1 30 30 TRP HB3 H 1 3.37 0.05 . 2 . . . . 30 TRP HB3 . 6942 1 274 . 1 1 30 30 TRP HE1 H 1 10.22 0.05 . 1 . . . . 30 TRP HE1 . 6942 1 275 . 1 1 30 30 TRP C C 13 179.06 0.15 . 1 . . . . 30 TRP C . 6942 1 276 . 1 1 30 30 TRP CA C 13 60.75 0.15 . 1 . . . . 30 TRP CA . 6942 1 277 . 1 1 30 30 TRP CB C 13 30.3 0.15 . 1 . . . . 30 TRP CB . 6942 1 278 . 1 1 30 30 TRP N N 15 120.89 0.15 . 1 . . . . 30 TRP N . 6942 1 279 . 1 1 30 30 TRP NE1 N 15 129.17 0.15 . 1 . . . . 30 TRP NE1 . 6942 1 280 . 1 1 31 31 TYR H H 1 8.75 0.05 . 1 . . . . 31 TYR H . 6942 1 281 . 1 1 31 31 TYR HA H 1 4.04 0.05 . 1 . . . . 31 TYR HA . 6942 1 282 . 1 1 31 31 TYR HB2 H 1 2.86 0.05 . 2 . . . . 31 TYR HB2 . 6942 1 283 . 1 1 31 31 TYR HB3 H 1 2.53 0.05 . 2 . . . . 31 TYR HB3 . 6942 1 284 . 1 1 31 31 TYR C C 13 176.15 0.15 . 1 . . . . 31 TYR C . 6942 1 285 . 1 1 31 31 TYR CA C 13 62.11 0.15 . 1 . . . . 31 TYR CA . 6942 1 286 . 1 1 31 31 TYR CB C 13 37.91 0.15 . 1 . . . . 31 TYR CB . 6942 1 287 . 1 1 31 31 TYR N N 15 121.22 0.15 . 1 . . . . 31 TYR N . 6942 1 288 . 1 1 32 32 LYS H H 1 7.81 0.05 . 1 . . . . 32 LYS H . 6942 1 289 . 1 1 32 32 LYS HA H 1 3.77 0.05 . 1 . . . . 32 LYS HA . 6942 1 290 . 1 1 32 32 LYS HB2 H 1 1.94 0.05 . 2 . . . . 32 LYS HB2 . 6942 1 291 . 1 1 32 32 LYS HB3 H 1 1.91 0.05 . 2 . . . . 32 LYS HB3 . 6942 1 292 . 1 1 32 32 LYS HG2 H 1 1.69 0.05 . 2 . . . . 32 LYS HG2 . 6942 1 293 . 1 1 32 32 LYS HG3 H 1 1.66 0.05 . 2 . . . . 32 LYS HG3 . 6942 1 294 . 1 1 32 32 LYS HD2 H 1 1.68 0.05 . 1 . . . . 32 LYS HD2 . 6942 1 295 . 1 1 32 32 LYS HD3 H 1 1.68 0.05 . 1 . . . . 32 LYS HD3 . 6942 1 296 . 1 1 32 32 LYS HE2 H 1 2.87 0.05 . 1 . . . . 32 LYS HE2 . 6942 1 297 . 1 1 32 32 LYS HE3 H 1 2.87 0.05 . 1 . . . . 32 LYS HE3 . 6942 1 298 . 1 1 32 32 LYS C C 13 179.65 0.15 . 1 . . . . 32 LYS C . 6942 1 299 . 1 1 32 32 LYS CA C 13 59.66 0.15 . 1 . . . . 32 LYS CA . 6942 1 300 . 1 1 32 32 LYS CB C 13 32.47 0.15 . 1 . . . . 32 LYS CB . 6942 1 301 . 1 1 32 32 LYS CG C 13 24.6 0.15 . 1 . . . . 32 LYS CG . 6942 1 302 . 1 1 32 32 LYS CD C 13 26.52 0.15 . 1 . . . . 32 LYS CD . 6942 1 303 . 1 1 32 32 LYS CE C 13 42.68 0.15 . 1 . . . . 32 LYS CE . 6942 1 304 . 1 1 32 32 LYS N N 15 117.37 0.15 . 1 . . . . 32 LYS N . 6942 1 305 . 1 1 33 33 GLY H H 1 7.65 0.05 . 1 . . . . 33 GLY H . 6942 1 306 . 1 1 33 33 GLY HA2 H 1 3.85 0.05 . 1 . . . . 33 GLY HA2 . 6942 1 307 . 1 1 33 33 GLY HA3 H 1 3.85 0.05 . 1 . . . . 33 GLY HA3 . 6942 1 308 . 1 1 33 33 GLY C C 13 175 0.15 . 1 . . . . 33 GLY C . 6942 1 309 . 1 1 33 33 GLY CA C 13 47.16 0.15 . 1 . . . . 33 GLY CA . 6942 1 310 . 1 1 33 33 GLY N N 15 104.44 0.15 . 1 . . . . 33 GLY N . 6942 1 311 . 1 1 34 34 PHE H H 1 8.62 0.05 . 1 . . . . 34 PHE H . 6942 1 312 . 1 1 34 34 PHE HA H 1 4.09 0.05 . 1 . . . . 34 PHE HA . 6942 1 313 . 1 1 34 34 PHE HB2 H 1 3.14 0.05 . 2 . . . . 34 PHE HB2 . 6942 1 314 . 1 1 34 34 PHE HB3 H 1 3.13 0.05 . 2 . . . . 34 PHE HB3 . 6942 1 315 . 1 1 34 34 PHE C C 13 176.64 0.15 . 1 . . . . 34 PHE C . 6942 1 316 . 1 1 34 34 PHE CA C 13 61.02 0.15 . 1 . . . . 34 PHE CA . 6942 1 317 . 1 1 34 34 PHE CB C 13 39.95 0.15 . 1 . . . . 34 PHE CB . 6942 1 318 . 1 1 34 34 PHE N N 15 124.48 0.15 . 1 . . . . 34 PHE N . 6942 1 319 . 1 1 35 35 ILE H H 1 8.3 0.05 . 1 . . . . 35 ILE H . 6942 1 320 . 1 1 35 35 ILE HA H 1 3.86 0.05 . 1 . . . . 35 ILE HA . 6942 1 321 . 1 1 35 35 ILE HB H 1 1.92 0.05 . 1 . . . . 35 ILE HB . 6942 1 322 . 1 1 35 35 ILE HG12 H 1 1.06 0.05 . 2 . . . . 35 ILE HG12 . 6942 1 323 . 1 1 35 35 ILE HG13 H 1 1.01 0.05 . 2 . . . . 35 ILE HG13 . 6942 1 324 . 1 1 35 35 ILE HG21 H 1 0.76 0.05 . 1 . . . . 35 ILE HG2 . 6942 1 325 . 1 1 35 35 ILE HG22 H 1 0.76 0.05 . 1 . . . . 35 ILE HG2 . 6942 1 326 . 1 1 35 35 ILE HG23 H 1 0.76 0.05 . 1 . . . . 35 ILE HG2 . 6942 1 327 . 1 1 35 35 ILE HD11 H 1 0.63 0.05 . 1 . . . . 35 ILE HD1 . 6942 1 328 . 1 1 35 35 ILE HD12 H 1 0.63 0.05 . 1 . . . . 35 ILE HD1 . 6942 1 329 . 1 1 35 35 ILE HD13 H 1 0.63 0.05 . 1 . . . . 35 ILE HD1 . 6942 1 330 . 1 1 35 35 ILE C C 13 178.2 0.15 . 1 . . . . 35 ILE C . 6942 1 331 . 1 1 35 35 ILE CA C 13 59.66 0.15 . 1 . . . . 35 ILE CA . 6942 1 332 . 1 1 35 35 ILE CB C 13 38.18 0.15 . 1 . . . . 35 ILE CB . 6942 1 333 . 1 1 35 35 ILE CG1 C 13 27.9 0.15 . 1 . . . . 35 ILE CG1 . 6942 1 334 . 1 1 35 35 ILE CG2 C 13 17.11 0.15 . 1 . . . . 35 ILE CG2 . 6942 1 335 . 1 1 35 35 ILE CD1 C 13 13.27 0.15 . 1 . . . . 35 ILE CD1 . 6942 1 336 . 1 1 35 35 ILE N N 15 115.74 0.15 . 1 . . . . 35 ILE N . 6942 1 337 . 1 1 36 36 LYS H H 1 7.13 0.05 . 1 . . . . 36 LYS H . 6942 1 338 . 1 1 36 36 LYS HA H 1 3.91 0.05 . 1 . . . . 36 LYS HA . 6942 1 339 . 1 1 36 36 LYS HB2 H 1 1.88 0.05 . 1 . . . . 36 LYS HB2 . 6942 1 340 . 1 1 36 36 LYS HB3 H 1 1.88 0.05 . 1 . . . . 36 LYS HB3 . 6942 1 341 . 1 1 36 36 LYS HG2 H 1 1.38 0.05 . 1 . . . . 36 LYS HG2 . 6942 1 342 . 1 1 36 36 LYS HG3 H 1 1.38 0.05 . 1 . . . . 36 LYS HG3 . 6942 1 343 . 1 1 36 36 LYS C C 13 177.58 0.15 . 1 . . . . 36 LYS C . 6942 1 344 . 1 1 36 36 LYS CA C 13 59.12 0.15 . 1 . . . . 36 LYS CA . 6942 1 345 . 1 1 36 36 LYS CB C 13 32.2 0.15 . 1 . . . . 36 LYS CB . 6942 1 346 . 1 1 36 36 LYS CG C 13 21.98 0.15 . 1 . . . . 36 LYS CG . 6942 1 347 . 1 1 36 36 LYS CD C 13 26.61 0.15 . 1 . . . . 36 LYS CD . 6942 1 348 . 1 1 36 36 LYS CE C 13 42.47 0.15 . 1 . . . . 36 LYS CE . 6942 1 349 . 1 1 36 36 LYS N N 15 122.04 0.15 . 1 . . . . 36 LYS N . 6942 1 350 . 1 1 37 37 ASP H H 1 7.25 0.05 . 1 . . . . 37 ASP H . 6942 1 351 . 1 1 37 37 ASP HA H 1 4.65 0.05 . 1 . . . . 37 ASP HA . 6942 1 352 . 1 1 37 37 ASP HB2 H 1 2.65 0.05 . 2 . . . . 37 ASP HB2 . 6942 1 353 . 1 1 37 37 ASP HB3 H 1 2.44 0.05 . 2 . . . . 37 ASP HB3 . 6942 1 354 . 1 1 37 37 ASP C C 13 176.21 0.15 . 1 . . . . 37 ASP C . 6942 1 355 . 1 1 37 37 ASP CA C 13 55.31 0.15 . 1 . . . . 37 ASP CA . 6942 1 356 . 1 1 37 37 ASP CB C 13 41.72 0.15 . 1 . . . . 37 ASP CB . 6942 1 357 . 1 1 37 37 ASP N N 15 116.15 0.15 . 1 . . . . 37 ASP N . 6942 1 358 . 1 1 38 38 CYS H H 1 7.97 0.05 . 1 . . . . 38 CYS H . 6942 1 359 . 1 1 38 38 CYS HA H 1 4.61 0.05 . 1 . . . . 38 CYS HA . 6942 1 360 . 1 1 38 38 CYS HB2 H 1 2.56 0.05 . 2 . . . . 38 CYS HB2 . 6942 1 361 . 1 1 38 38 CYS HB3 H 1 2.57 0.05 . 2 . . . . 38 CYS HB3 . 6942 1 362 . 1 1 38 38 CYS HG H 1 1.88 0.05 . 1 . . . . 38 CYS HG . 6942 1 363 . 1 1 38 38 CYS CA C 13 55.59 0.15 . 1 . . . . 38 CYS CA . 6942 1 364 . 1 1 38 38 CYS CB C 13 26.22 0.15 . 1 . . . . 38 CYS CB . 6942 1 365 . 1 1 38 38 CYS N N 15 120.32 0.15 . 1 . . . . 38 CYS N . 6942 1 366 . 1 1 39 39 PRO C C 13 178.2 0.15 . 1 . . . . 39 PRO C . 6942 1 367 . 1 1 39 39 PRO CA C 13 64.83 0.15 . 1 . . . . 39 PRO CA . 6942 1 368 . 1 1 40 40 SER H H 1 8.27 0.05 . 1 . . . . 40 SER H . 6942 1 369 . 1 1 40 40 SER HA H 1 4.4 0.05 . 1 . . . . 40 SER HA . 6942 1 370 . 1 1 40 40 SER HB2 H 1 4.06 0.05 . 2 . . . . 40 SER HB2 . 6942 1 371 . 1 1 40 40 SER HB3 H 1 3.92 0.05 . 2 . . . . 40 SER HB3 . 6942 1 372 . 1 1 40 40 SER C C 13 176.37 0.15 . 1 . . . . 40 SER C . 6942 1 373 . 1 1 40 40 SER CA C 13 59.12 0.15 . 1 . . . . 40 SER CA . 6942 1 374 . 1 1 40 40 SER N N 15 111.16 0.15 . 1 . . . . 40 SER N . 6942 1 375 . 1 1 41 41 GLY H H 1 8.57 0.15 . 1 . . . . 41 GLY H . 6942 1 376 . 1 1 41 41 GLY HA2 H 1 3.71 0.15 . 1 . . . . 41 GLY HA2 . 6942 1 377 . 1 1 41 41 GLY HA3 H 1 3.71 0.15 . 1 . . . . 41 GLY HA3 . 6942 1 378 . 1 1 41 41 GLY C C 13 172.49 0.15 . 1 . . . . 41 GLY C . 6942 1 379 . 1 1 41 41 GLY CA C 13 45.25 0.15 . 1 . . . . 41 GLY CA . 6942 1 380 . 1 1 41 41 GLY N N 15 110.38 0.15 . 1 . . . . 41 GLY N . 6942 1 381 . 1 1 42 42 GLN H H 1 7.58 0.05 . 1 . . . . 42 GLN H . 6942 1 382 . 1 1 42 42 GLN HA H 1 4.87 0.05 . 1 . . . . 42 GLN HA . 6942 1 383 . 1 1 42 42 GLN HB2 H 1 1.97 0.05 . 2 . . . . 42 GLN HB2 . 6942 1 384 . 1 1 42 42 GLN HB3 H 1 1.91 0.05 . 2 . . . . 42 GLN HB3 . 6942 1 385 . 1 1 42 42 GLN HG2 H 1 2.18 0.05 . 1 . . . . 42 GLN HG2 . 6942 1 386 . 1 1 42 42 GLN HG3 H 1 2.18 0.05 . 1 . . . . 42 GLN HG3 . 6942 1 387 . 1 1 42 42 GLN C C 13 173.42 0.15 . 1 . . . . 42 GLN C . 6942 1 388 . 1 1 42 42 GLN CA C 13 53.95 0.15 . 1 . . . . 42 GLN CA . 6942 1 389 . 1 1 42 42 GLN CB C 13 30.84 0.15 . 1 . . . . 42 GLN CB . 6942 1 390 . 1 1 42 42 GLN CG C 13 36.59 0.15 . 1 . . . . 42 GLN CG . 6942 1 391 . 1 1 42 42 GLN N N 15 117.4 0.15 . 1 . . . . 42 GLN N . 6942 1 392 . 1 1 43 43 LEU H H 1 8.93 0.05 . 1 . . . . 43 LEU H . 6942 1 393 . 1 1 43 43 LEU HA H 1 4.63 0.05 . 1 . . . . 43 LEU HA . 6942 1 394 . 1 1 43 43 LEU HB2 H 1 1.76 0.05 . 2 . . . . 43 LEU HB2 . 6942 1 395 . 1 1 43 43 LEU HB3 H 1 1.78 0.05 . 2 . . . . 43 LEU HB3 . 6942 1 396 . 1 1 43 43 LEU HG H 1 1.72 0.05 . 1 . . . . 43 LEU HG . 6942 1 397 . 1 1 43 43 LEU HD11 H 1 0.99 0.05 . 2 . . . . 43 LEU HD1 . 6942 1 398 . 1 1 43 43 LEU HD12 H 1 0.99 0.05 . 2 . . . . 43 LEU HD1 . 6942 1 399 . 1 1 43 43 LEU HD13 H 1 0.99 0.05 . 2 . . . . 43 LEU HD1 . 6942 1 400 . 1 1 43 43 LEU HD21 H 1 0.99 0.05 . 2 . . . . 43 LEU HD2 . 6942 1 401 . 1 1 43 43 LEU HD22 H 1 0.99 0.05 . 2 . . . . 43 LEU HD2 . 6942 1 402 . 1 1 43 43 LEU HD23 H 1 0.99 0.05 . 2 . . . . 43 LEU HD2 . 6942 1 403 . 1 1 43 43 LEU C C 13 176.44 0.15 . 1 . . . . 43 LEU C . 6942 1 404 . 1 1 43 43 LEU CA C 13 55.31 0.15 . 1 . . . . 43 LEU CA . 6942 1 405 . 1 1 43 43 LEU CB C 13 44.71 0.15 . 1 . . . . 43 LEU CB . 6942 1 406 . 1 1 43 43 LEU CG C 13 26.71 0.15 . 1 . . . . 43 LEU CG . 6942 1 407 . 1 1 43 43 LEU CD1 C 13 23.47 0.15 . 1 . . . . 43 LEU CD1 . 6942 1 408 . 1 1 43 43 LEU CD2 C 13 24.65 0.15 . 1 . . . . 43 LEU CD2 . 6942 1 409 . 1 1 43 43 LEU N N 15 126.57 0.15 . 1 . . . . 43 LEU N . 6942 1 410 . 1 1 44 44 ASP H H 1 8.26 0.05 . 1 . . . . 44 ASP H . 6942 1 411 . 1 1 44 44 ASP HA H 1 5.06 0.05 . 1 . . . . 44 ASP HA . 6942 1 412 . 1 1 44 44 ASP HB2 H 1 2.7 0.05 . 2 . . . . 44 ASP HB2 . 6942 1 413 . 1 1 44 44 ASP HB3 H 1 3.27 0.05 . 2 . . . . 44 ASP HB3 . 6942 1 414 . 1 1 44 44 ASP C C 13 175.63 0.15 . 1 . . . . 44 ASP C . 6942 1 415 . 1 1 44 44 ASP CA C 13 51.78 0.15 . 1 . . . . 44 ASP CA . 6942 1 416 . 1 1 44 44 ASP CB C 13 41.99 0.15 . 1 . . . . 44 ASP CB . 6942 1 417 . 1 1 44 44 ASP N N 15 124.31 0.15 . 1 . . . . 44 ASP N . 6942 1 418 . 1 1 45 45 ALA H H 1 8.37 0.05 . 1 . . . . 45 ALA H . 6942 1 419 . 1 1 45 45 ALA HA H 1 3.87 0.05 . 1 . . . . 45 ALA HA . 6942 1 420 . 1 1 45 45 ALA HB1 H 1 0.78 0.05 . 1 . . . . 45 ALA HB . 6942 1 421 . 1 1 45 45 ALA HB2 H 1 0.78 0.05 . 1 . . . . 45 ALA HB . 6942 1 422 . 1 1 45 45 ALA HB3 H 1 0.78 0.05 . 1 . . . . 45 ALA HB . 6942 1 423 . 1 1 45 45 ALA C C 13 180 0.15 . 1 . . . . 45 ALA C . 6942 1 424 . 1 1 45 45 ALA CA C 13 56.13 0.15 . 1 . . . . 45 ALA CA . 6942 1 425 . 1 1 45 45 ALA CB C 13 17.52 0.15 . 1 . . . . 45 ALA CB . 6942 1 426 . 1 1 45 45 ALA N N 15 122.35 0.15 . 1 . . . . 45 ALA N . 6942 1 427 . 1 1 46 46 ALA H H 1 8.04 0.05 . 1 . . . . 46 ALA H . 6942 1 428 . 1 1 46 46 ALA HA H 1 4.04 0.05 . 1 . . . . 46 ALA HA . 6942 1 429 . 1 1 46 46 ALA HB1 H 1 1.4 0.05 . 1 . . . . 46 ALA HB . 6942 1 430 . 1 1 46 46 ALA HB2 H 1 1.4 0.05 . 1 . . . . 46 ALA HB . 6942 1 431 . 1 1 46 46 ALA HB3 H 1 1.4 0.05 . 1 . . . . 46 ALA HB . 6942 1 432 . 1 1 46 46 ALA C C 13 181.27 0.15 . 1 . . . . 46 ALA C . 6942 1 433 . 1 1 46 46 ALA CA C 13 55.04 0.15 . 1 . . . . 46 ALA CA . 6942 1 434 . 1 1 46 46 ALA CB C 13 18.33 0.15 . 1 . . . . 46 ALA CB . 6942 1 435 . 1 1 46 46 ALA N N 15 120.29 0.15 . 1 . . . . 46 ALA N . 6942 1 436 . 1 1 47 47 GLY H H 1 8.65 0.05 . 1 . . . . 47 GLY H . 6942 1 437 . 1 1 47 47 GLY HA2 H 1 3.88 0.08 . 1 . . . . 47 GLY HA2 . 6942 1 438 . 1 1 47 47 GLY HA3 H 1 3.88 0.08 . 1 . . . . 47 GLY HA3 . 6942 1 439 . 1 1 47 47 GLY C C 13 176.6 0.15 . 1 . . . . 47 GLY C . 6942 1 440 . 1 1 47 47 GLY CA C 13 47.16 0.15 . 1 . . . . 47 GLY CA . 6942 1 441 . 1 1 47 47 GLY N N 15 109.01 0.15 . 1 . . . . 47 GLY N . 6942 1 442 . 1 1 48 48 PHE H H 1 8.87 0.05 . 1 . . . . 48 PHE H . 6942 1 443 . 1 1 48 48 PHE HA H 1 4.44 0.05 . 1 . . . . 48 PHE HA . 6942 1 444 . 1 1 48 48 PHE HB2 H 1 3.39 0.05 . 2 . . . . 48 PHE HB2 . 6942 1 445 . 1 1 48 48 PHE HB3 H 1 3.27 0.05 . 2 . . . . 48 PHE HB3 . 6942 1 446 . 1 1 48 48 PHE C C 13 177.37 0.15 . 1 . . . . 48 PHE C . 6942 1 447 . 1 1 48 48 PHE CA C 13 61.57 0.15 . 1 . . . . 48 PHE CA . 6942 1 448 . 1 1 48 48 PHE CB C 13 40.9 0.15 . 1 . . . . 48 PHE CB . 6942 1 449 . 1 1 48 48 PHE N N 15 124.88 0.15 . 1 . . . . 48 PHE N . 6942 1 450 . 1 1 49 49 GLN H H 1 8.5 0.05 . 1 . . . . 49 GLN H . 6942 1 451 . 1 1 49 49 GLN HA H 1 3.78 0.05 . 1 . . . . 49 GLN HA . 6942 1 452 . 1 1 49 49 GLN HB2 H 1 2.32 0.05 . 2 . . . . 49 GLN HB2 . 6942 1 453 . 1 1 49 49 GLN HB3 H 1 2.12 0.05 . 2 . . . . 49 GLN HB3 . 6942 1 454 . 1 1 49 49 GLN HG2 H 1 2.54 0.05 . 2 . . . . 49 GLN HG2 . 6942 1 455 . 1 1 49 49 GLN HG3 H 1 2.53 0.05 . 2 . . . . 49 GLN HG3 . 6942 1 456 . 1 1 49 49 GLN CA C 13 59.66 0.15 . 1 . . . . 49 GLN CA . 6942 1 457 . 1 1 49 49 GLN CB C 13 27.67 0.15 . 1 . . . . 49 GLN CB . 6942 1 458 . 1 1 49 49 GLN CG C 13 33.88 0.15 . 1 . . . . 49 GLN CG . 6942 1 459 . 1 1 49 49 GLN N N 15 117.54 0.15 . 1 . . . . 49 GLN N . 6942 1 460 . 1 1 50 50 LYS H H 1 10.21 0.05 . 1 . . . . 50 LYS H . 6942 1 461 . 1 1 50 50 LYS HA H 1 3.93 0.05 . 1 . . . . 50 LYS HA . 6942 1 462 . 1 1 50 50 LYS HB2 H 1 1.9 0.05 . 2 . . . . 50 LYS HB2 . 6942 1 463 . 1 1 50 50 LYS HB3 H 1 1.86 0.05 . 2 . . . . 50 LYS HB3 . 6942 1 464 . 1 1 50 50 LYS HG2 H 1 1.45 0.05 . 2 . . . . 50 LYS HG2 . 6942 1 465 . 1 1 50 50 LYS HG3 H 1 1.46 0.05 . 2 . . . . 50 LYS HG3 . 6942 1 466 . 1 1 50 50 LYS HD2 H 1 1.71 0.05 . 1 . . . . 50 LYS HD2 . 6942 1 467 . 1 1 50 50 LYS HD3 H 1 1.71 0.05 . 1 . . . . 50 LYS HD3 . 6942 1 468 . 1 1 50 50 LYS HE2 H 1 2.93 0.05 . 1 . . . . 50 LYS HE2 . 6942 1 469 . 1 1 50 50 LYS HE3 H 1 2.93 0.05 . 1 . . . . 50 LYS HE3 . 6942 1 470 . 1 1 50 50 LYS C C 13 175.76 0.15 . 1 . . . . 50 LYS C . 6942 1 471 . 1 1 50 50 LYS CA C 13 59.66 0.15 . 1 . . . . 50 LYS CA . 6942 1 472 . 1 1 50 50 LYS CB C 13 32.74 0.15 . 1 . . . . 50 LYS CB . 6942 1 473 . 1 1 50 50 LYS CG C 13 24.19 0.15 . 1 . . . . 50 LYS CG . 6942 1 474 . 1 1 50 50 LYS CD C 13 28.98 0.15 . 1 . . . . 50 LYS CD . 6942 1 475 . 1 1 50 50 LYS CE C 13 41.91 0.15 . 1 . . . . 50 LYS CE . 6942 1 476 . 1 1 50 50 LYS N N 15 129.97 0.15 . 1 . . . . 50 LYS N . 6942 1 477 . 1 1 51 51 ILE H H 1 7.5 0.05 . 1 . . . . 51 ILE H . 6942 1 478 . 1 1 51 51 ILE HA H 1 3.68 0.05 . 1 . . . . 51 ILE HA . 6942 1 479 . 1 1 51 51 ILE HB H 1 1.93 0.05 . 1 . . . . 51 ILE HB . 6942 1 480 . 1 1 51 51 ILE HG12 H 1 1.4 0.05 . 2 . . . . 51 ILE HG12 . 6942 1 481 . 1 1 51 51 ILE HG13 H 1 1.41 0.05 . 2 . . . . 51 ILE HG13 . 6942 1 482 . 1 1 51 51 ILE HG21 H 1 0.91 0.05 . 1 . . . . 51 ILE HG2 . 6942 1 483 . 1 1 51 51 ILE HG22 H 1 0.91 0.05 . 1 . . . . 51 ILE HG2 . 6942 1 484 . 1 1 51 51 ILE HG23 H 1 0.91 0.05 . 1 . . . . 51 ILE HG2 . 6942 1 485 . 1 1 51 51 ILE HD11 H 1 0.72 0.05 . 1 . . . . 51 ILE HD1 . 6942 1 486 . 1 1 51 51 ILE HD12 H 1 0.72 0.05 . 1 . . . . 51 ILE HD1 . 6942 1 487 . 1 1 51 51 ILE HD13 H 1 0.72 0.05 . 1 . . . . 51 ILE HD1 . 6942 1 488 . 1 1 51 51 ILE CA C 13 64.83 0.15 . 1 . . . . 51 ILE CA . 6942 1 489 . 1 1 51 51 ILE CB C 13 38.18 0.15 . 1 . . . . 51 ILE CB . 6942 1 490 . 1 1 51 51 ILE N N 15 119.74 0.15 . 1 . . . . 51 ILE N . 6942 1 491 . 1 1 53 53 LYS H H 1 8.16 0.05 . 1 . . . . 53 LYS H . 6942 1 492 . 1 1 53 53 LYS HA H 1 4.15 0.05 . 1 . . . . 53 LYS HA . 6942 1 493 . 1 1 53 53 LYS C C 13 177.76 0.15 . 1 . . . . 53 LYS C . 6942 1 494 . 1 1 53 53 LYS CA C 13 58.03 0.15 . 1 . . . . 53 LYS CA . 6942 1 495 . 1 1 53 53 LYS CB C 13 32.47 0.15 . 1 . . . . 53 LYS CB . 6942 1 496 . 1 1 53 53 LYS N N 15 117.72 0.15 . 1 . . . . 53 LYS N . 6942 1 497 . 1 1 54 54 GLN H H 1 7.41 0.05 . 1 . . . . 54 GLN H . 6942 1 498 . 1 1 54 54 GLN HA H 1 3.89 0.05 . 1 . . . . 54 GLN HA . 6942 1 499 . 1 1 54 54 GLN HB2 H 1 2.08 0.05 . 2 . . . . 54 GLN HB2 . 6942 1 500 . 1 1 54 54 GLN HB3 H 1 1.97 0.05 . 2 . . . . 54 GLN HB3 . 6942 1 501 . 1 1 54 54 GLN HG2 H 1 2.22 0.05 . 2 . . . . 54 GLN HG2 . 6942 1 502 . 1 1 54 54 GLN HG3 H 1 2.24 0.05 . 2 . . . . 54 GLN HG3 . 6942 1 503 . 1 1 54 54 GLN C C 13 177.49 0.15 . 1 . . . . 54 GLN C . 6942 1 504 . 1 1 54 54 GLN CA C 13 58.03 0.15 . 1 . . . . 54 GLN CA . 6942 1 505 . 1 1 54 54 GLN CB C 13 28.67 0.15 . 1 . . . . 54 GLN CB . 6942 1 506 . 1 1 54 54 GLN CG C 13 33.71 0.15 . 1 . . . . 54 GLN CG . 6942 1 507 . 1 1 54 54 GLN N N 15 116.04 0.15 . 1 . . . . 54 GLN N . 6942 1 508 . 1 1 55 55 PHE H H 1 7.26 0.05 . 1 . . . . 55 PHE H . 6942 1 509 . 1 1 55 55 PHE HA H 1 4.22 0.05 . 1 . . . . 55 PHE HA . 6942 1 510 . 1 1 55 55 PHE HB2 H 1 2.68 0.05 . 2 . . . . 55 PHE HB2 . 6942 1 511 . 1 1 55 55 PHE HB3 H 1 2.69 0.05 . 2 . . . . 55 PHE HB3 . 6942 1 512 . 1 1 55 55 PHE C C 13 175.26 0.15 . 1 . . . . 55 PHE C . 6942 1 513 . 1 1 55 55 PHE CA C 13 58.58 0.15 . 1 . . . . 55 PHE CA . 6942 1 514 . 1 1 55 55 PHE CB C 13 40.09 0.15 . 1 . . . . 55 PHE CB . 6942 1 515 . 1 1 55 55 PHE N N 15 116.37 0.15 . 1 . . . . 55 PHE N . 6942 1 516 . 1 1 56 56 PHE H H 1 7.86 0.05 . 1 . . . . 56 PHE H . 6942 1 517 . 1 1 56 56 PHE HA H 1 4.93 0.05 . 1 . . . . 56 PHE HA . 6942 1 518 . 1 1 56 56 PHE HB2 H 1 2.82 0.05 . 2 . . . . 56 PHE HB2 . 6942 1 519 . 1 1 56 56 PHE HB3 H 1 2.84 0.05 . 2 . . . . 56 PHE HB3 . 6942 1 520 . 1 1 56 56 PHE CA C 13 56.13 0.15 . 1 . . . . 56 PHE CA . 6942 1 521 . 1 1 56 56 PHE CB C 13 39.81 0.15 . 1 . . . . 56 PHE CB . 6942 1 522 . 1 1 56 56 PHE N N 15 116.96 0.15 . 1 . . . . 56 PHE N . 6942 1 523 . 1 1 57 57 PRO C C 13 178.26 0.15 . 1 . . . . 57 PRO C . 6942 1 524 . 1 1 57 57 PRO CA C 13 64.01 0.15 . 1 . . . . 57 PRO CA . 6942 1 525 . 1 1 58 58 PHE H H 1 8.37 0.05 . 1 . . . . 58 PHE H . 6942 1 526 . 1 1 58 58 PHE HA H 1 4.88 0.05 . 1 . . . . 58 PHE HA . 6942 1 527 . 1 1 58 58 PHE HB2 H 1 3.01 0.05 . 1 . . . . 58 PHE HB2 . 6942 1 528 . 1 1 58 58 PHE HB3 H 1 3.01 0.05 . 1 . . . . 58 PHE HB3 . 6942 1 529 . 1 1 58 58 PHE C C 13 175.74 0.15 . 1 . . . . 58 PHE C . 6942 1 530 . 1 1 58 58 PHE CA C 13 57.49 0.15 . 1 . . . . 58 PHE CA . 6942 1 531 . 1 1 58 58 PHE CB C 13 39.27 0.15 . 1 . . . . 58 PHE CB . 6942 1 532 . 1 1 58 58 PHE N N 15 117.02 0.15 . 1 . . . . 58 PHE N . 6942 1 533 . 1 1 59 59 GLY H H 1 7.57 0.05 . 1 . . . . 59 GLY H . 6942 1 534 . 1 1 59 59 GLY HA2 H 1 4 0.05 . 1 . . . . 59 GLY HA2 . 6942 1 535 . 1 1 59 59 GLY HA3 H 1 4 0.05 . 1 . . . . 59 GLY HA3 . 6942 1 536 . 1 1 59 59 GLY C C 13 172.83 0.15 . 1 . . . . 59 GLY C . 6942 1 537 . 1 1 59 59 GLY CA C 13 44.44 0.15 . 1 . . . . 59 GLY CA . 6942 1 538 . 1 1 59 59 GLY N N 15 109.4 0.15 . 1 . . . . 59 GLY N . 6942 1 539 . 1 1 60 60 ASP H H 1 8.05 0.05 . 1 . . . . 60 ASP H . 6942 1 540 . 1 1 60 60 ASP HA H 1 5.42 0.05 . 1 . . . . 60 ASP HA . 6942 1 541 . 1 1 60 60 ASP HB2 H 1 2.96 0.05 . 2 . . . . 60 ASP HB2 . 6942 1 542 . 1 1 60 60 ASP HB3 H 1 2.62 0.05 . 2 . . . . 60 ASP HB3 . 6942 1 543 . 1 1 60 60 ASP CA C 13 50.15 0.15 . 1 . . . . 60 ASP CA . 6942 1 544 . 1 1 60 60 ASP N N 15 118.4 0.15 . 1 . . . . 60 ASP N . 6942 1 545 . 1 1 61 61 PRO C C 13 174.94 0.15 . 1 . . . . 61 PRO C . 6942 1 546 . 1 1 61 61 PRO CA C 13 62.93 0.15 . 1 . . . . 61 PRO CA . 6942 1 547 . 1 1 62 62 THR H H 1 8.1 0.05 . 1 . . . . 62 THR H . 6942 1 548 . 1 1 62 62 THR HA H 1 4.37 0.05 . 1 . . . . 62 THR HA . 6942 1 549 . 1 1 62 62 THR HB H 1 4.08 0.05 . 1 . . . . 62 THR HB . 6942 1 550 . 1 1 62 62 THR HG21 H 1 1.09 0.05 . 1 . . . . 62 THR HG2 . 6942 1 551 . 1 1 62 62 THR HG22 H 1 1.09 0.05 . 1 . . . . 62 THR HG2 . 6942 1 552 . 1 1 62 62 THR HG23 H 1 1.09 0.05 . 1 . . . . 62 THR HG2 . 6942 1 553 . 1 1 62 62 THR C C 13 176.37 0.15 . 1 . . . . 62 THR C . 6942 1 554 . 1 1 62 62 THR CA C 13 63.2 0.15 . 1 . . . . 62 THR CA . 6942 1 555 . 1 1 62 62 THR CB C 13 68.14 0.15 . 1 . . . . 62 THR CB . 6942 1 556 . 1 1 62 62 THR CG2 C 13 21.11 0.15 . 1 . . . . 62 THR CG2 . 6942 1 557 . 1 1 62 62 THR N N 15 116.87 0.15 . 1 . . . . 62 THR N . 6942 1 558 . 1 1 63 63 LYS H H 1 8.57 0.05 . 1 . . . . 63 LYS H . 6942 1 559 . 1 1 63 63 LYS HA H 1 3.76 0.05 . 1 . . . . 63 LYS HA . 6942 1 560 . 1 1 63 63 LYS HB2 H 1 1.72 0.05 . 2 . . . . 63 LYS HB2 . 6942 1 561 . 1 1 63 63 LYS HB3 H 1 1.91 0.05 . 2 . . . . 63 LYS HB3 . 6942 1 562 . 1 1 63 63 LYS HG2 H 1 1.36 0.05 . 1 . . . . 63 LYS HG2 . 6942 1 563 . 1 1 63 63 LYS HG3 H 1 1.36 0.05 . 1 . . . . 63 LYS HG3 . 6942 1 564 . 1 1 63 63 LYS CA C 13 59.94 0.15 . 1 . . . . 63 LYS CA . 6942 1 565 . 1 1 63 63 LYS CB C 13 32.47 0.15 . 1 . . . . 63 LYS CB . 6942 1 566 . 1 1 63 63 LYS N N 15 122 0.15 . 1 . . . . 63 LYS N . 6942 1 567 . 1 1 64 64 PHE H H 1 9.13 0.05 . 1 . . . . 64 PHE H . 6942 1 568 . 1 1 64 64 PHE HA H 1 4.77 0.05 . 1 . . . . 64 PHE HA . 6942 1 569 . 1 1 64 64 PHE HB2 H 1 2.89 0.05 . 2 . . . . 64 PHE HB2 . 6942 1 570 . 1 1 64 64 PHE HB3 H 1 2.86 0.05 . 2 . . . . 64 PHE HB3 . 6942 1 571 . 1 1 64 64 PHE C C 13 176.6 0.15 . 1 . . . . 64 PHE C . 6942 1 572 . 1 1 64 64 PHE CA C 13 62.66 0.15 . 1 . . . . 64 PHE CA . 6942 1 573 . 1 1 64 64 PHE CB C 13 39.81 0.15 . 1 . . . . 64 PHE CB . 6942 1 574 . 1 1 64 64 PHE N N 15 120.24 0.15 . 1 . . . . 64 PHE N . 6942 1 575 . 1 1 65 65 ALA H H 1 8.98 0.05 . 1 . . . . 65 ALA H . 6942 1 576 . 1 1 65 65 ALA HA H 1 3.51 0.05 . 1 . . . . 65 ALA HA . 6942 1 577 . 1 1 65 65 ALA HB1 H 1 1.24 0.05 . 1 . . . . 65 ALA HB . 6942 1 578 . 1 1 65 65 ALA HB2 H 1 1.24 0.05 . 1 . . . . 65 ALA HB . 6942 1 579 . 1 1 65 65 ALA HB3 H 1 1.24 0.05 . 1 . . . . 65 ALA HB . 6942 1 580 . 1 1 65 65 ALA C C 13 179.34 0.15 . 1 . . . . 65 ALA C . 6942 1 581 . 1 1 65 65 ALA CA C 13 54.77 0.15 . 1 . . . . 65 ALA CA . 6942 1 582 . 1 1 65 65 ALA CB C 13 18.88 0.15 . 1 . . . . 65 ALA CB . 6942 1 583 . 1 1 65 65 ALA N N 15 117.95 0.15 . 1 . . . . 65 ALA N . 6942 1 584 . 1 1 66 66 THR H H 1 7.52 0.05 . 1 . . . . 66 THR H . 6942 1 585 . 1 1 66 66 THR HA H 1 3.91 0.05 . 1 . . . . 66 THR HA . 6942 1 586 . 1 1 66 66 THR HB H 1 4.03 0.05 . 1 . . . . 66 THR HB . 6942 1 587 . 1 1 66 66 THR HG21 H 1 1.03 0.05 . 1 . . . . 66 THR HG2 . 6942 1 588 . 1 1 66 66 THR HG22 H 1 1.03 0.05 . 1 . . . . 66 THR HG2 . 6942 1 589 . 1 1 66 66 THR HG23 H 1 1.03 0.05 . 1 . . . . 66 THR HG2 . 6942 1 590 . 1 1 66 66 THR C C 13 175.94 0.15 . 1 . . . . 66 THR C . 6942 1 591 . 1 1 66 66 THR CA C 13 66.73 0.15 . 1 . . . . 66 THR CA . 6942 1 592 . 1 1 66 66 THR CB C 13 68.09 0.15 . 1 . . . . 66 THR CB . 6942 1 593 . 1 1 66 66 THR CG2 C 13 21.16 0.15 . 1 . . . . 66 THR CG2 . 6942 1 594 . 1 1 66 66 THR N N 15 113.61 0.15 . 1 . . . . 66 THR N . 6942 1 595 . 1 1 67 67 PHE H H 1 7.32 0.05 . 1 . . . . 67 PHE H . 6942 1 596 . 1 1 67 67 PHE HA H 1 4.52 0.05 . 1 . . . . 67 PHE HA . 6942 1 597 . 1 1 67 67 PHE HB2 H 1 2.87 0.05 . 2 . . . . 67 PHE HB2 . 6942 1 598 . 1 1 67 67 PHE HB3 H 1 2.77 0.05 . 2 . . . . 67 PHE HB3 . 6942 1 599 . 1 1 67 67 PHE C C 13 179.23 0.15 . 1 . . . . 67 PHE C . 6942 1 600 . 1 1 67 67 PHE CA C 13 59.66 0.15 . 1 . . . . 67 PHE CA . 6942 1 601 . 1 1 67 67 PHE CB C 13 38.18 0.15 . 1 . . . . 67 PHE CB . 6942 1 602 . 1 1 67 67 PHE N N 15 120.22 0.15 . 1 . . . . 67 PHE N . 6942 1 603 . 1 1 68 68 VAL H H 1 8.26 0.05 . 1 . . . . 68 VAL H . 6942 1 604 . 1 1 68 68 VAL HA H 1 3.49 0.05 . 1 . . . . 68 VAL HA . 6942 1 605 . 1 1 68 68 VAL HB H 1 2.05 0.05 . 1 . . . . 68 VAL HB . 6942 1 606 . 1 1 68 68 VAL HG11 H 1 0.61 0.05 . 2 . . . . 68 VAL HG1 . 6942 1 607 . 1 1 68 68 VAL HG12 H 1 0.61 0.05 . 2 . . . . 68 VAL HG1 . 6942 1 608 . 1 1 68 68 VAL HG13 H 1 0.61 0.05 . 2 . . . . 68 VAL HG1 . 6942 1 609 . 1 1 68 68 VAL HG21 H 1 0.61 0.05 . 2 . . . . 68 VAL HG2 . 6942 1 610 . 1 1 68 68 VAL HG22 H 1 0.61 0.05 . 2 . . . . 68 VAL HG2 . 6942 1 611 . 1 1 68 68 VAL HG23 H 1 0.61 0.05 . 2 . . . . 68 VAL HG2 . 6942 1 612 . 1 1 68 68 VAL C C 13 177.65 0.15 . 1 . . . . 68 VAL C . 6942 1 613 . 1 1 68 68 VAL CA C 13 66.19 0.15 . 1 . . . . 68 VAL CA . 6942 1 614 . 1 1 68 68 VAL CB C 13 32.47 0.15 . 1 . . . . 68 VAL CB . 6942 1 615 . 1 1 68 68 VAL CG1 C 13 20.74 0.15 . 1 . . . . 68 VAL CG1 . 6942 1 616 . 1 1 68 68 VAL CG2 C 13 20.74 0.15 . 1 . . . . 68 VAL CG2 . 6942 1 617 . 1 1 68 68 VAL N N 15 119.63 0.15 . 1 . . . . 68 VAL N . 6942 1 618 . 1 1 69 69 PHE H H 1 8.65 0.05 . 1 . . . . 69 PHE H . 6942 1 619 . 1 1 69 69 PHE HA H 1 3.81 0.05 . 1 . . . . 69 PHE HA . 6942 1 620 . 1 1 69 69 PHE HB2 H 1 3.16 0.05 . 2 . . . . 69 PHE HB2 . 6942 1 621 . 1 1 69 69 PHE HB3 H 1 2.96 0.05 . 2 . . . . 69 PHE HB3 . 6942 1 622 . 1 1 69 69 PHE C C 13 176.37 0.15 . 1 . . . . 69 PHE C . 6942 1 623 . 1 1 69 69 PHE CA C 13 61.84 0.15 . 1 . . . . 69 PHE CA . 6942 1 624 . 1 1 69 69 PHE CB C 13 39.27 0.15 . 1 . . . . 69 PHE CB . 6942 1 625 . 1 1 69 69 PHE N N 15 122.97 0.15 . 1 . . . . 69 PHE N . 6942 1 626 . 1 1 70 70 ASN H H 1 7.37 0.05 . 1 . . . . 70 ASN H . 6942 1 627 . 1 1 70 70 ASN HA H 1 4.41 0.05 . 1 . . . . 70 ASN HA . 6942 1 628 . 1 1 70 70 ASN HB2 H 1 2.94 0.05 . 2 . . . . 70 ASN HB2 . 6942 1 629 . 1 1 70 70 ASN HB3 H 1 2.89 0.05 . 2 . . . . 70 ASN HB3 . 6942 1 630 . 1 1 70 70 ASN C C 13 176.22 0.15 . 1 . . . . 70 ASN C . 6942 1 631 . 1 1 70 70 ASN CA C 13 55.59 0.15 . 1 . . . . 70 ASN CA . 6942 1 632 . 1 1 70 70 ASN CB C 13 38.73 0.15 . 1 . . . . 70 ASN CB . 6942 1 633 . 1 1 70 70 ASN N N 15 112.28 0.15 . 1 . . . . 70 ASN N . 6942 1 634 . 1 1 71 71 VAL H H 1 7.38 0.05 . 1 . . . . 71 VAL H . 6942 1 635 . 1 1 71 71 VAL HA H 1 3.69 0.05 . 1 . . . . 71 VAL HA . 6942 1 636 . 1 1 71 71 VAL HB H 1 1.85 0.05 . 1 . . . . 71 VAL HB . 6942 1 637 . 1 1 71 71 VAL HG11 H 1 0.28 0.05 . 2 . . . . 71 VAL HG1 . 6942 1 638 . 1 1 71 71 VAL HG12 H 1 0.28 0.05 . 2 . . . . 71 VAL HG1 . 6942 1 639 . 1 1 71 71 VAL HG13 H 1 0.28 0.05 . 2 . . . . 71 VAL HG1 . 6942 1 640 . 1 1 71 71 VAL HG21 H 1 0.63 0.05 . 2 . . . . 71 VAL HG2 . 6942 1 641 . 1 1 71 71 VAL HG22 H 1 0.63 0.05 . 2 . . . . 71 VAL HG2 . 6942 1 642 . 1 1 71 71 VAL HG23 H 1 0.63 0.05 . 2 . . . . 71 VAL HG2 . 6942 1 643 . 1 1 71 71 VAL CA C 13 64.29 0.15 . 1 . . . . 71 VAL CA . 6942 1 644 . 1 1 71 71 VAL CB C 13 31.93 0.15 . 1 . . . . 71 VAL CB . 6942 1 645 . 1 1 71 71 VAL CG1 C 13 22.11 0.15 . 1 . . . . 71 VAL CG1 . 6942 1 646 . 1 1 71 71 VAL CG2 C 13 18.5 0.15 . 1 . . . . 71 VAL CG2 . 6942 1 647 . 1 1 71 71 VAL N N 15 117.05 0.15 . 1 . . . . 71 VAL N . 6942 1 648 . 1 1 72 72 PHE H H 1 8.05 0.05 . 1 . . . . 72 PHE H . 6942 1 649 . 1 1 72 72 PHE HA H 1 5.08 0.05 . 1 . . . . 72 PHE HA . 6942 1 650 . 1 1 72 72 PHE HB2 H 1 3.27 0.05 . 2 . . . . 72 PHE HB2 . 6942 1 651 . 1 1 72 72 PHE HB3 H 1 3.3 0.05 . 2 . . . . 72 PHE HB3 . 6942 1 652 . 1 1 72 72 PHE C C 13 177.57 0.15 . 1 . . . . 72 PHE C . 6942 1 653 . 1 1 72 72 PHE CA C 13 60.21 0.15 . 1 . . . . 72 PHE CA . 6942 1 654 . 1 1 72 72 PHE CB C 13 40.09 0.15 . 1 . . . . 72 PHE CB . 6942 1 655 . 1 1 72 72 PHE N N 15 119.94 0.15 . 1 . . . . 72 PHE N . 6942 1 656 . 1 1 73 73 ASP H H 1 7.74 0.05 . 1 . . . . 73 ASP H . 6942 1 657 . 1 1 73 73 ASP HA H 1 4.4 0.05 . 1 . . . . 73 ASP HA . 6942 1 658 . 1 1 73 73 ASP HB2 H 1 2.9 0.05 . 2 . . . . 73 ASP HB2 . 6942 1 659 . 1 1 73 73 ASP HB3 H 1 2.65 0.05 . 2 . . . . 73 ASP HB3 . 6942 1 660 . 1 1 73 73 ASP C C 13 176.4 0.15 . 1 . . . . 73 ASP C . 6942 1 661 . 1 1 73 73 ASP CA C 13 52.59 0.15 . 1 . . . . 73 ASP CA . 6942 1 662 . 1 1 73 73 ASP CB C 13 38.18 0.15 . 1 . . . . 73 ASP CB . 6942 1 663 . 1 1 73 73 ASP N N 15 116.72 0.15 . 1 . . . . 73 ASP N . 6942 1 664 . 1 1 74 74 GLU H H 1 7.76 0.05 . 1 . . . . 74 GLU H . 6942 1 665 . 1 1 74 74 GLU HA H 1 3.94 0.05 . 1 . . . . 74 GLU HA . 6942 1 666 . 1 1 74 74 GLU HB2 H 1 2.08 0.05 . 2 . . . . 74 GLU HB2 . 6942 1 667 . 1 1 74 74 GLU HB3 H 1 2.09 0.05 . 2 . . . . 74 GLU HB3 . 6942 1 668 . 1 1 74 74 GLU HG2 H 1 2.36 0.05 . 2 . . . . 74 GLU HG2 . 6942 1 669 . 1 1 74 74 GLU HG3 H 1 2.57 0.05 . 2 . . . . 74 GLU HG3 . 6942 1 670 . 1 1 74 74 GLU C C 13 177.25 0.15 . 1 . . . . 74 GLU C . 6942 1 671 . 1 1 74 74 GLU CA C 13 59.66 0.15 . 1 . . . . 74 GLU CA . 6942 1 672 . 1 1 74 74 GLU CB C 13 31.11 0.15 . 1 . . . . 74 GLU CB . 6942 1 673 . 1 1 74 74 GLU CG C 13 35.79 0.15 . 1 . . . . 74 GLU CG . 6942 1 674 . 1 1 74 74 GLU N N 15 128.82 0.15 . 1 . . . . 74 GLU N . 6942 1 675 . 1 1 75 75 ASN H H 1 7.93 0.05 . 1 . . . . 75 ASN H . 6942 1 676 . 1 1 75 75 ASN HA H 1 4.68 0.05 . 1 . . . . 75 ASN HA . 6942 1 677 . 1 1 75 75 ASN HB2 H 1 2.86 0.05 . 2 . . . . 75 ASN HB2 . 6942 1 678 . 1 1 75 75 ASN HB3 H 1 2.84 0.05 . 2 . . . . 75 ASN HB3 . 6942 1 679 . 1 1 75 75 ASN C C 13 174.86 0.15 . 1 . . . . 75 ASN C . 6942 1 680 . 1 1 75 75 ASN CA C 13 51.78 0.15 . 1 . . . . 75 ASN CA . 6942 1 681 . 1 1 75 75 ASN CB C 13 37.1 0.15 . 1 . . . . 75 ASN CB . 6942 1 682 . 1 1 75 75 ASN N N 15 111.97 0.15 . 1 . . . . 75 ASN N . 6942 1 683 . 1 1 76 76 LYS H H 1 7.79 0.05 . 1 . . . . 76 LYS H . 6942 1 684 . 1 1 76 76 LYS HA H 1 4.01 0.05 . 1 . . . . 76 LYS HA . 6942 1 685 . 1 1 76 76 LYS HB2 H 1 1.88 0.05 . 2 . . . . 76 LYS HB2 . 6942 1 686 . 1 1 76 76 LYS HB3 H 1 1.84 0.05 . 2 . . . . 76 LYS HB3 . 6942 1 687 . 1 1 76 76 LYS HG2 H 1 1.39 0.05 . 1 . . . . 76 LYS HG2 . 6942 1 688 . 1 1 76 76 LYS HG3 H 1 1.39 0.05 . 1 . . . . 76 LYS HG3 . 6942 1 689 . 1 1 76 76 LYS HD2 H 1 1.6 0.05 . 1 . . . . 76 LYS HD2 . 6942 1 690 . 1 1 76 76 LYS HD3 H 1 1.6 0.05 . 1 . . . . 76 LYS HD3 . 6942 1 691 . 1 1 76 76 LYS HE2 H 1 2.93 0.05 . 1 . . . . 76 LYS HE2 . 6942 1 692 . 1 1 76 76 LYS HE3 H 1 2.93 0.05 . 1 . . . . 76 LYS HE3 . 6942 1 693 . 1 1 76 76 LYS C C 13 176.03 0.15 . 1 . . . . 76 LYS C . 6942 1 694 . 1 1 76 76 LYS CA C 13 56.4 0.15 . 1 . . . . 76 LYS CA . 6942 1 695 . 1 1 76 76 LYS CB C 13 28.94 0.15 . 1 . . . . 76 LYS CB . 6942 1 696 . 1 1 76 76 LYS CG C 13 25.5 0.15 . 1 . . . . 76 LYS CG . 6942 1 697 . 1 1 76 76 LYS CD C 13 29.32 0.15 . 1 . . . . 76 LYS CD . 6942 1 698 . 1 1 76 76 LYS CE C 13 41.96 0.15 . 1 . . . . 76 LYS CE . 6942 1 699 . 1 1 76 76 LYS N N 15 115.16 0.15 . 1 . . . . 76 LYS N . 6942 1 700 . 1 1 77 77 ASP H H 1 8.34 0.05 . 1 . . . . 77 ASP H . 6942 1 701 . 1 1 77 77 ASP HA H 1 4.71 0.05 . 1 . . . . 77 ASP HA . 6942 1 702 . 1 1 77 77 ASP HB2 H 1 2.41 0.05 . 2 . . . . 77 ASP HB2 . 6942 1 703 . 1 1 77 77 ASP HB3 H 1 2.43 0.05 . 2 . . . . 77 ASP HB3 . 6942 1 704 . 1 1 77 77 ASP C C 13 176.03 0.15 . 1 . . . . 77 ASP C . 6942 1 705 . 1 1 77 77 ASP CA C 13 52.87 0.15 . 1 . . . . 77 ASP CA . 6942 1 706 . 1 1 77 77 ASP CB C 13 40.63 0.15 . 1 . . . . 77 ASP CB . 6942 1 707 . 1 1 77 77 ASP N N 15 117.95 0.15 . 1 . . . . 77 ASP N . 6942 1 708 . 1 1 78 78 GLY H H 1 10.53 0.05 . 1 . . . . 78 GLY H . 6942 1 709 . 1 1 78 78 GLY HA2 H 1 4.3 0.05 . 2 . . . . 78 GLY HA2 . 6942 1 710 . 1 1 78 78 GLY HA3 H 1 3.76 0.05 . 2 . . . . 78 GLY HA3 . 6942 1 711 . 1 1 78 78 GLY C C 13 174.19 0.15 . 1 . . . . 78 GLY C . 6942 1 712 . 1 1 78 78 GLY CA C 13 46.07 0.15 . 1 . . . . 78 GLY CA . 6942 1 713 . 1 1 78 78 GLY N N 15 112.52 0.15 . 1 . . . . 78 GLY N . 6942 1 714 . 1 1 79 79 ARG H H 1 8.15 0.05 . 1 . . . . 79 ARG H . 6942 1 715 . 1 1 79 79 ARG HA H 1 5.24 0.05 . 1 . . . . 79 ARG HA . 6942 1 716 . 1 1 79 79 ARG HB2 H 1 1.72 0.05 . 1 . . . . 79 ARG HB2 . 6942 1 717 . 1 1 79 79 ARG HB3 H 1 1.72 0.05 . 1 . . . . 79 ARG HB3 . 6942 1 718 . 1 1 79 79 ARG HG2 H 1 1.55 0.05 . 2 . . . . 79 ARG HG2 . 6942 1 719 . 1 1 79 79 ARG HG3 H 1 1.46 0.05 . 2 . . . . 79 ARG HG3 . 6942 1 720 . 1 1 79 79 ARG HD2 H 1 3.75 0.05 . 1 . . . . 79 ARG HD2 . 6942 1 721 . 1 1 79 79 ARG HD3 H 1 3.75 0.05 . 1 . . . . 79 ARG HD3 . 6942 1 722 . 1 1 79 79 ARG C C 13 174.89 0.15 . 1 . . . . 79 ARG C . 6942 1 723 . 1 1 79 79 ARG CA C 13 53.41 0.15 . 1 . . . . 79 ARG CA . 6942 1 724 . 1 1 79 79 ARG CB C 13 34.1 0.15 . 1 . . . . 79 ARG CB . 6942 1 725 . 1 1 79 79 ARG CG C 13 24.7 0.15 . 1 . . . . 79 ARG CG . 6942 1 726 . 1 1 79 79 ARG N N 15 118.49 0.15 . 1 . . . . 79 ARG N . 6942 1 727 . 1 1 80 80 ILE H H 1 9.84 0.05 . 1 . . . . 80 ILE H . 6942 1 728 . 1 1 80 80 ILE HA H 1 4.89 0.05 . 1 . . . . 80 ILE HA . 6942 1 729 . 1 1 80 80 ILE HB H 1 1.96 0.05 . 1 . . . . 80 ILE HB . 6942 1 730 . 1 1 80 80 ILE HG12 H 1 1.23 0.05 . 1 . . . . 80 ILE HG12 . 6942 1 731 . 1 1 80 80 ILE HG13 H 1 1.23 0.05 . 1 . . . . 80 ILE HG13 . 6942 1 732 . 1 1 80 80 ILE HG21 H 1 0.02 0.05 . 1 . . . . 80 ILE HG2 . 6942 1 733 . 1 1 80 80 ILE HG22 H 1 0.02 0.05 . 1 . . . . 80 ILE HG2 . 6942 1 734 . 1 1 80 80 ILE HG23 H 1 0.02 0.05 . 1 . . . . 80 ILE HG2 . 6942 1 735 . 1 1 80 80 ILE HD11 H 1 0.04 0.05 . 1 . . . . 80 ILE HD1 . 6942 1 736 . 1 1 80 80 ILE HD12 H 1 0.04 0.05 . 1 . . . . 80 ILE HD1 . 6942 1 737 . 1 1 80 80 ILE HD13 H 1 0.04 0.05 . 1 . . . . 80 ILE HD1 . 6942 1 738 . 1 1 80 80 ILE C C 13 175.75 0.15 . 1 . . . . 80 ILE C . 6942 1 739 . 1 1 80 80 ILE CA C 13 59.94 0.15 . 1 . . . . 80 ILE CA . 6942 1 740 . 1 1 80 80 ILE CB C 13 33.04 0.15 . 1 . . . . 80 ILE CB . 6942 1 741 . 1 1 80 80 ILE N N 15 125.94 0.15 . 1 . . . . 80 ILE N . 6942 1 742 . 1 1 81 81 GLU H H 1 8.69 0.05 . 1 . . . . 81 GLU H . 6942 1 743 . 1 1 81 81 GLU HA H 1 5.35 0.05 . 1 . . . . 81 GLU HA . 6942 1 744 . 1 1 81 81 GLU HB2 H 1 2.02 0.05 . 2 . . . . 81 GLU HB2 . 6942 1 745 . 1 1 81 81 GLU HB3 H 1 2.03 0.05 . 2 . . . . 81 GLU HB3 . 6942 1 746 . 1 1 81 81 GLU HG2 H 1 2.38 0.05 . 2 . . . . 81 GLU HG2 . 6942 1 747 . 1 1 81 81 GLU HG3 H 1 2.44 0.05 . 2 . . . . 81 GLU HG3 . 6942 1 748 . 1 1 81 81 GLU C C 13 177.39 0.15 . 1 . . . . 81 GLU C . 6942 1 749 . 1 1 81 81 GLU CA C 13 56.4 0.15 . 1 . . . . 81 GLU CA . 6942 1 750 . 1 1 81 81 GLU CB C 13 30.84 0.15 . 1 . . . . 81 GLU CB . 6942 1 751 . 1 1 81 81 GLU CG C 13 36.44 0.15 . 1 . . . . 81 GLU CG . 6942 1 752 . 1 1 81 81 GLU N N 15 126.31 0.15 . 1 . . . . 81 GLU N . 6942 1 753 . 1 1 82 82 PHE H H 1 9.91 0.05 . 1 . . . . 82 PHE H . 6942 1 754 . 1 1 82 82 PHE HA H 1 3.93 0.05 . 1 . . . . 82 PHE HA . 6942 1 755 . 1 1 82 82 PHE HB2 H 1 2.91 0.05 . 2 . . . . 82 PHE HB2 . 6942 1 756 . 1 1 82 82 PHE HB3 H 1 2.93 0.05 . 2 . . . . 82 PHE HB3 . 6942 1 757 . 1 1 82 82 PHE C C 13 176.74 0.15 . 1 . . . . 82 PHE C . 6942 1 758 . 1 1 82 82 PHE CA C 13 62.66 0.15 . 1 . . . . 82 PHE CA . 6942 1 759 . 1 1 82 82 PHE CB C 13 38.18 0.15 . 1 . . . . 82 PHE CB . 6942 1 760 . 1 1 82 82 PHE N N 15 124.02 0.15 . 1 . . . . 82 PHE N . 6942 1 761 . 1 1 83 83 SER H H 1 9.31 0.05 . 1 . . . . 83 SER H . 6942 1 762 . 1 1 83 83 SER HA H 1 4.75 0.05 . 1 . . . . 83 SER HA . 6942 1 763 . 1 1 83 83 SER HB2 H 1 3.89 0.05 . 2 . . . . 83 SER HB2 . 6942 1 764 . 1 1 83 83 SER HB3 H 1 3.84 0.05 . 2 . . . . 83 SER HB3 . 6942 1 765 . 1 1 83 83 SER C C 13 176.55 0.15 . 1 . . . . 83 SER C . 6942 1 766 . 1 1 83 83 SER CA C 13 61.57 0.15 . 1 . . . . 83 SER CA . 6942 1 767 . 1 1 83 83 SER N N 15 112.19 0.15 . 1 . . . . 83 SER N . 6942 1 768 . 1 1 84 84 GLU H H 1 6.66 0.05 . 1 . . . . 84 GLU H . 6942 1 769 . 1 1 84 84 GLU HA H 1 4.08 0.05 . 1 . . . . 84 GLU HA . 6942 1 770 . 1 1 84 84 GLU HB2 H 1 2.4 0.05 . 1 . . . . 84 GLU HB2 . 6942 1 771 . 1 1 84 84 GLU HB3 H 1 2.4 0.05 . 1 . . . . 84 GLU HB3 . 6942 1 772 . 1 1 84 84 GLU HG2 H 1 2.57 0.05 . 2 . . . . 84 GLU HG2 . 6942 1 773 . 1 1 84 84 GLU HG3 H 1 2.58 0.05 . 2 . . . . 84 GLU HG3 . 6942 1 774 . 1 1 84 84 GLU C C 13 178.84 0.15 . 1 . . . . 84 GLU C . 6942 1 775 . 1 1 84 84 GLU CA C 13 58.3 0.15 . 1 . . . . 84 GLU CA . 6942 1 776 . 1 1 84 84 GLU CB C 13 30.3 0.15 . 1 . . . . 84 GLU CB . 6942 1 777 . 1 1 84 84 GLU CG C 13 36.14 0.15 . 1 . . . . 84 GLU CG . 6942 1 778 . 1 1 84 84 GLU N N 15 120.34 0.15 . 1 . . . . 84 GLU N . 6942 1 779 . 1 1 85 85 PHE H H 1 8.28 0.05 . 1 . . . . 85 PHE H . 6942 1 780 . 1 1 85 85 PHE HA H 1 4.37 0.05 . 1 . . . . 85 PHE HA . 6942 1 781 . 1 1 85 85 PHE HB2 H 1 2.92 0.05 . 2 . . . . 85 PHE HB2 . 6942 1 782 . 1 1 85 85 PHE HB3 H 1 2.89 0.05 . 2 . . . . 85 PHE HB3 . 6942 1 783 . 1 1 85 85 PHE C C 13 175.72 0.15 . 1 . . . . 85 PHE C . 6942 1 784 . 1 1 85 85 PHE CA C 13 62.11 0.15 . 1 . . . . 85 PHE CA . 6942 1 785 . 1 1 85 85 PHE CB C 13 33.29 0.15 . 1 . . . . 85 PHE CB . 6942 1 786 . 1 1 85 85 PHE N N 15 121.8 0.15 . 1 . . . . 85 PHE N . 6942 1 787 . 1 1 86 86 ILE H H 1 8.55 0.05 . 1 . . . . 86 ILE H . 6942 1 788 . 1 1 86 86 ILE HA H 1 3.44 0.05 . 1 . . . . 86 ILE HA . 6942 1 789 . 1 1 86 86 ILE HB H 1 2.2 0.05 . 1 . . . . 86 ILE HB . 6942 1 790 . 1 1 86 86 ILE HG12 H 1 0.97 0.05 . 2 . . . . 86 ILE HG12 . 6942 1 791 . 1 1 86 86 ILE HG13 H 1 0.9 0.05 . 2 . . . . 86 ILE HG13 . 6942 1 792 . 1 1 86 86 ILE HG21 H 1 0.69 0.05 . 1 . . . . 86 ILE HG2 . 6942 1 793 . 1 1 86 86 ILE HG22 H 1 0.69 0.05 . 1 . . . . 86 ILE HG2 . 6942 1 794 . 1 1 86 86 ILE HG23 H 1 0.69 0.05 . 1 . . . . 86 ILE HG2 . 6942 1 795 . 1 1 86 86 ILE HD11 H 1 0.46 0.05 . 1 . . . . 86 ILE HD1 . 6942 1 796 . 1 1 86 86 ILE HD12 H 1 0.46 0.05 . 1 . . . . 86 ILE HD1 . 6942 1 797 . 1 1 86 86 ILE HD13 H 1 0.46 0.05 . 1 . . . . 86 ILE HD1 . 6942 1 798 . 1 1 86 86 ILE C C 13 177 0.15 . 1 . . . . 86 ILE C . 6942 1 799 . 1 1 86 86 ILE CA C 13 61.02 0.15 . 1 . . . . 86 ILE CA . 6942 1 800 . 1 1 86 86 ILE N N 15 116.61 0.15 . 1 . . . . 86 ILE N . 6942 1 801 . 1 1 87 87 GLN H H 1 7.31 0.05 . 1 . . . . 87 GLN H . 6942 1 802 . 1 1 87 87 GLN HA H 1 3.89 0.05 . 1 . . . . 87 GLN HA . 6942 1 803 . 1 1 87 87 GLN HB2 H 1 2.06 0.05 . 2 . . . . 87 GLN HB2 . 6942 1 804 . 1 1 87 87 GLN HB3 H 1 2.04 0.05 . 2 . . . . 87 GLN HB3 . 6942 1 805 . 1 1 87 87 GLN HG2 H 1 2.33 0.05 . 2 . . . . 87 GLN HG2 . 6942 1 806 . 1 1 87 87 GLN HG3 H 1 2.35 0.05 . 2 . . . . 87 GLN HG3 . 6942 1 807 . 1 1 87 87 GLN C C 13 177.52 0.15 . 1 . . . . 87 GLN C . 6942 1 808 . 1 1 87 87 GLN CA C 13 59.39 0.15 . 1 . . . . 87 GLN CA . 6942 1 809 . 1 1 87 87 GLN CB C 13 29.21 0.15 . 1 . . . . 87 GLN CB . 6942 1 810 . 1 1 87 87 GLN CG C 13 32.25 0.15 . 1 . . . . 87 GLN CG . 6942 1 811 . 1 1 87 87 GLN N N 15 121.8 0.15 . 1 . . . . 87 GLN N . 6942 1 812 . 1 1 88 88 ALA H H 1 7.18 0.05 . 1 . . . . 88 ALA H . 6942 1 813 . 1 1 88 88 ALA HA H 1 3.55 0.05 . 1 . . . . 88 ALA HA . 6942 1 814 . 1 1 88 88 ALA HB1 H 1 0.98 0.05 . 1 . . . . 88 ALA HB . 6942 1 815 . 1 1 88 88 ALA HB2 H 1 0.98 0.05 . 1 . . . . 88 ALA HB . 6942 1 816 . 1 1 88 88 ALA HB3 H 1 0.98 0.05 . 1 . . . . 88 ALA HB . 6942 1 817 . 1 1 88 88 ALA C C 13 178.62 0.15 . 1 . . . . 88 ALA C . 6942 1 818 . 1 1 88 88 ALA CA C 13 54.77 0.15 . 1 . . . . 88 ALA CA . 6942 1 819 . 1 1 88 88 ALA CB C 13 16.43 0.15 . 1 . . . . 88 ALA CB . 6942 1 820 . 1 1 88 88 ALA N N 15 121.39 0.15 . 1 . . . . 88 ALA N . 6942 1 821 . 1 1 89 89 LEU H H 1 7.72 0.05 . 1 . . . . 89 LEU H . 6942 1 822 . 1 1 89 89 LEU HA H 1 3.96 0.05 . 1 . . . . 89 LEU HA . 6942 1 823 . 1 1 89 89 LEU HB2 H 1 1.63 0.05 . 2 . . . . 89 LEU HB2 . 6942 1 824 . 1 1 89 89 LEU HB3 H 1 1.59 0.05 . 2 . . . . 89 LEU HB3 . 6942 1 825 . 1 1 89 89 LEU HG H 1 1 0.05 . 1 . . . . 89 LEU HG . 6942 1 826 . 1 1 89 89 LEU HD11 H 1 0.42 0.05 . 2 . . . . 89 LEU HD1 . 6942 1 827 . 1 1 89 89 LEU HD12 H 1 0.42 0.05 . 2 . . . . 89 LEU HD1 . 6942 1 828 . 1 1 89 89 LEU HD13 H 1 0.42 0.05 . 2 . . . . 89 LEU HD1 . 6942 1 829 . 1 1 89 89 LEU HD21 H 1 0.42 0.05 . 2 . . . . 89 LEU HD2 . 6942 1 830 . 1 1 89 89 LEU HD22 H 1 0.42 0.05 . 2 . . . . 89 LEU HD2 . 6942 1 831 . 1 1 89 89 LEU HD23 H 1 0.42 0.05 . 2 . . . . 89 LEU HD2 . 6942 1 832 . 1 1 89 89 LEU C C 13 179 0.15 . 1 . . . . 89 LEU C . 6942 1 833 . 1 1 89 89 LEU CA C 13 57.49 0.15 . 1 . . . . 89 LEU CA . 6942 1 834 . 1 1 89 89 LEU CB C 13 41.72 0.15 . 1 . . . . 89 LEU CB . 6942 1 835 . 1 1 89 89 LEU N N 15 118.96 0.15 . 1 . . . . 89 LEU N . 6942 1 836 . 1 1 90 90 SER H H 1 7.99 0.05 . 1 . . . . 90 SER H . 6942 1 837 . 1 1 90 90 SER HA H 1 4.16 0.05 . 1 . . . . 90 SER HA . 6942 1 838 . 1 1 90 90 SER HB2 H 1 3.84 0.05 . 2 . . . . 90 SER HB2 . 6942 1 839 . 1 1 90 90 SER HB3 H 1 3.76 0.05 . 2 . . . . 90 SER HB3 . 6942 1 840 . 1 1 90 90 SER CA C 13 61.3 0.15 . 1 . . . . 90 SER CA . 6942 1 841 . 1 1 90 90 SER CB C 13 62.66 0.15 . 1 . . . . 90 SER CB . 6942 1 842 . 1 1 90 90 SER N N 15 113.99 0.15 . 1 . . . . 90 SER N . 6942 1 843 . 1 1 91 91 VAL H H 1 7.59 0.05 . 1 . . . . 91 VAL H . 6942 1 844 . 1 1 91 91 VAL HA H 1 3.53 0.05 . 1 . . . . 91 VAL HA . 6942 1 845 . 1 1 91 91 VAL HB H 1 1.73 0.05 . 1 . . . . 91 VAL HB . 6942 1 846 . 1 1 91 91 VAL HG11 H 1 0.96 0.05 . 2 . . . . 91 VAL HG1 . 6942 1 847 . 1 1 91 91 VAL HG12 H 1 0.96 0.05 . 2 . . . . 91 VAL HG1 . 6942 1 848 . 1 1 91 91 VAL HG13 H 1 0.96 0.05 . 2 . . . . 91 VAL HG1 . 6942 1 849 . 1 1 91 91 VAL HG21 H 1 0.58 0.05 . 2 . . . . 91 VAL HG2 . 6942 1 850 . 1 1 91 91 VAL HG22 H 1 0.58 0.05 . 2 . . . . 91 VAL HG2 . 6942 1 851 . 1 1 91 91 VAL HG23 H 1 0.58 0.05 . 2 . . . . 91 VAL HG2 . 6942 1 852 . 1 1 91 91 VAL C C 13 177.54 0.15 . 1 . . . . 91 VAL C . 6942 1 853 . 1 1 91 91 VAL CA C 13 59.66 0.15 . 1 . . . . 91 VAL CA . 6942 1 854 . 1 1 91 91 VAL CB C 13 33.56 0.15 . 1 . . . . 91 VAL CB . 6942 1 855 . 1 1 91 91 VAL N N 15 117.41 0.15 . 1 . . . . 91 VAL N . 6942 1 856 . 1 1 92 92 THR H H 1 7.28 0.05 . 1 . . . . 92 THR H . 6942 1 857 . 1 1 92 92 THR HA H 1 3.63 0.05 . 1 . . . . 92 THR HA . 6942 1 858 . 1 1 92 92 THR HB H 1 3.91 0.05 . 1 . . . . 92 THR HB . 6942 1 859 . 1 1 92 92 THR HG21 H 1 0.96 0.05 . 1 . . . . 92 THR HG2 . 6942 1 860 . 1 1 92 92 THR HG22 H 1 0.96 0.05 . 1 . . . . 92 THR HG2 . 6942 1 861 . 1 1 92 92 THR HG23 H 1 0.96 0.05 . 1 . . . . 92 THR HG2 . 6942 1 862 . 1 1 92 92 THR C C 13 176.09 0.15 . 1 . . . . 92 THR C . 6942 1 863 . 1 1 92 92 THR CA C 13 65.1 0.15 . 1 . . . . 92 THR CA . 6942 1 864 . 1 1 92 92 THR CB C 13 69.64 0.15 . 1 . . . . 92 THR CB . 6942 1 865 . 1 1 92 92 THR CG2 C 13 20.76 0.15 . 1 . . . . 92 THR CG2 . 6942 1 866 . 1 1 92 92 THR N N 15 106.35 0.15 . 1 . . . . 92 THR N . 6942 1 867 . 1 1 93 93 SER H H 1 7.87 0.05 . 1 . . . . 93 SER H . 6942 1 868 . 1 1 93 93 SER HA H 1 4.19 0.05 . 1 . . . . 93 SER HA . 6942 1 869 . 1 1 93 93 SER HB2 H 1 3.86 0.05 . 2 . . . . 93 SER HB2 . 6942 1 870 . 1 1 93 93 SER HB3 H 1 3.9 0.05 . 2 . . . . 93 SER HB3 . 6942 1 871 . 1 1 93 93 SER C C 13 176.61 0.15 . 1 . . . . 93 SER C . 6942 1 872 . 1 1 93 93 SER CA C 13 59.94 0.15 . 1 . . . . 93 SER CA . 6942 1 873 . 1 1 93 93 SER CB C 13 65.1 0.15 . 1 . . . . 93 SER CB . 6942 1 874 . 1 1 93 93 SER N N 15 113.85 0.15 . 1 . . . . 93 SER N . 6942 1 875 . 1 1 94 94 ARG H H 1 7.87 0.05 . 1 . . . . 94 ARG H . 6942 1 876 . 1 1 94 94 ARG HA H 1 4.14 0.05 . 1 . . . . 94 ARG HA . 6942 1 877 . 1 1 94 94 ARG HB2 H 1 1.78 0.05 . 1 . . . . 94 ARG HB2 . 6942 1 878 . 1 1 94 94 ARG HB3 H 1 1.78 0.05 . 1 . . . . 94 ARG HB3 . 6942 1 879 . 1 1 94 94 ARG HG2 H 1 1.53 0.05 . 2 . . . . 94 ARG HG2 . 6942 1 880 . 1 1 94 94 ARG HG3 H 1 1.46 0.05 . 2 . . . . 94 ARG HG3 . 6942 1 881 . 1 1 94 94 ARG HD2 H 1 3.26 0.05 . 1 . . . . 94 ARG HD2 . 6942 1 882 . 1 1 94 94 ARG HD3 H 1 3.26 0.05 . 1 . . . . 94 ARG HD3 . 6942 1 883 . 1 1 94 94 ARG C C 13 174.89 0.15 . 1 . . . . 94 ARG C . 6942 1 884 . 1 1 94 94 ARG CA C 13 55.86 0.15 . 1 . . . . 94 ARG CA . 6942 1 885 . 1 1 94 94 ARG CB C 13 30.94 0.15 . 1 . . . . 94 ARG CB . 6942 1 886 . 1 1 94 94 ARG CG C 13 26.98 0.15 . 1 . . . . 94 ARG CG . 6942 1 887 . 1 1 94 94 ARG CD C 13 43.26 0.15 . 1 . . . . 94 ARG CD . 6942 1 888 . 1 1 94 94 ARG N N 15 120.84 0.15 . 1 . . . . 94 ARG N . 6942 1 889 . 1 1 95 95 GLY H H 1 7.49 0.05 . 1 . . . . 95 GLY H . 6942 1 890 . 1 1 95 95 GLY HA2 H 1 3.89 0.05 . 2 . . . . 95 GLY HA2 . 6942 1 891 . 1 1 95 95 GLY HA3 H 1 4.22 0.05 . 2 . . . . 95 GLY HA3 . 6942 1 892 . 1 1 95 95 GLY C C 13 174.21 0.15 . 1 . . . . 95 GLY C . 6942 1 893 . 1 1 95 95 GLY CA C 13 45.8 0.15 . 1 . . . . 95 GLY CA . 6942 1 894 . 1 1 95 95 GLY N N 15 106.66 0.15 . 1 . . . . 95 GLY N . 6942 1 895 . 1 1 96 96 THR H H 1 8.72 0.05 . 1 . . . . 96 THR H . 6942 1 896 . 1 1 96 96 THR HA H 1 4.29 0.05 . 1 . . . . 96 THR HA . 6942 1 897 . 1 1 96 96 THR HB H 1 4.23 0.05 . 1 . . . . 96 THR HB . 6942 1 898 . 1 1 96 96 THR HG21 H 1 1.35 0.05 . 1 . . . . 96 THR HG2 . 6942 1 899 . 1 1 96 96 THR HG22 H 1 1.35 0.05 . 1 . . . . 96 THR HG2 . 6942 1 900 . 1 1 96 96 THR HG23 H 1 1.35 0.05 . 1 . . . . 96 THR HG2 . 6942 1 901 . 1 1 96 96 THR C C 13 175.21 0.15 . 1 . . . . 96 THR C . 6942 1 902 . 1 1 96 96 THR CA C 13 61.3 0.15 . 1 . . . . 96 THR CA . 6942 1 903 . 1 1 96 96 THR CB C 13 70.81 0.15 . 1 . . . . 96 THR CB . 6942 1 904 . 1 1 96 96 THR CG2 C 13 22.16 0.15 . 1 . . . . 96 THR CG2 . 6942 1 905 . 1 1 96 96 THR N N 15 111.12 0.15 . 1 . . . . 96 THR N . 6942 1 906 . 1 1 97 97 LEU H H 1 8.82 0.05 . 1 . . . . 97 LEU H . 6942 1 907 . 1 1 97 97 LEU HA H 1 4.04 0.05 . 1 . . . . 97 LEU HA . 6942 1 908 . 1 1 97 97 LEU HB2 H 1 1.73 0.05 . 2 . . . . 97 LEU HB2 . 6942 1 909 . 1 1 97 97 LEU HB3 H 1 1.67 0.05 . 2 . . . . 97 LEU HB3 . 6942 1 910 . 1 1 97 97 LEU HG H 1 1.36 0.05 . 1 . . . . 97 LEU HG . 6942 1 911 . 1 1 97 97 LEU HD11 H 1 0.94 0.05 . 2 . . . . 97 LEU HD1 . 6942 1 912 . 1 1 97 97 LEU HD12 H 1 0.94 0.05 . 2 . . . . 97 LEU HD1 . 6942 1 913 . 1 1 97 97 LEU HD13 H 1 0.94 0.05 . 2 . . . . 97 LEU HD1 . 6942 1 914 . 1 1 97 97 LEU HD21 H 1 0.94 0.05 . 2 . . . . 97 LEU HD2 . 6942 1 915 . 1 1 97 97 LEU HD22 H 1 0.94 0.05 . 2 . . . . 97 LEU HD2 . 6942 1 916 . 1 1 97 97 LEU HD23 H 1 0.94 0.05 . 2 . . . . 97 LEU HD2 . 6942 1 917 . 1 1 97 97 LEU C C 13 178.59 0.15 . 1 . . . . 97 LEU C . 6942 1 918 . 1 1 97 97 LEU CA C 13 59.12 0.15 . 1 . . . . 97 LEU CA . 6942 1 919 . 1 1 97 97 LEU CB C 13 41.17 0.15 . 1 . . . . 97 LEU CB . 6942 1 920 . 1 1 97 97 LEU CG C 13 26.7 0.15 . 1 . . . . 97 LEU CG . 6942 1 921 . 1 1 97 97 LEU CD1 C 13 23.42 0.15 . 2 . . . . 97 LEU CD1 . 6942 1 922 . 1 1 97 97 LEU CD2 C 13 23.53 0.15 . 2 . . . . 97 LEU CD2 . 6942 1 923 . 1 1 97 97 LEU N N 15 122.2 0.15 . 1 . . . . 97 LEU N . 6942 1 924 . 1 1 98 98 ASP H H 1 8.22 0.05 . 1 . . . . 98 ASP H . 6942 1 925 . 1 1 98 98 ASP HA H 1 4.34 0.05 . 1 . . . . 98 ASP HA . 6942 1 926 . 1 1 98 98 ASP HB2 H 1 2.54 0.05 . 2 . . . . 98 ASP HB2 . 6942 1 927 . 1 1 98 98 ASP HB3 H 1 2.56 0.05 . 2 . . . . 98 ASP HB3 . 6942 1 928 . 1 1 98 98 ASP C C 13 180.14 0.15 . 1 . . . . 98 ASP C . 6942 1 929 . 1 1 98 98 ASP CA C 13 58.03 0.15 . 1 . . . . 98 ASP CA . 6942 1 930 . 1 1 98 98 ASP CB C 13 41.45 0.15 . 1 . . . . 98 ASP CB . 6942 1 931 . 1 1 98 98 ASP N N 15 115.66 0.15 . 1 . . . . 98 ASP N . 6942 1 932 . 1 1 99 99 GLU H H 1 7.7 0.05 . 1 . . . . 99 GLU H . 6942 1 933 . 1 1 99 99 GLU HA H 1 4.04 0.05 . 1 . . . . 99 GLU HA . 6942 1 934 . 1 1 99 99 GLU C C 13 179.96 0.15 . 1 . . . . 99 GLU C . 6942 1 935 . 1 1 99 99 GLU CA C 13 59.39 0.15 . 1 . . . . 99 GLU CA . 6942 1 936 . 1 1 99 99 GLU CB C 13 30.3 0.15 . 1 . . . . 99 GLU CB . 6942 1 937 . 1 1 99 99 GLU CG C 13 34.41 0.15 . 1 . . . . 99 GLU CG . 6942 1 938 . 1 1 99 99 GLU N N 15 118.72 0.15 . 1 . . . . 99 GLU N . 6942 1 939 . 1 1 100 100 LYS H H 1 8.85 0.05 . 1 . . . . 100 LYS H . 6942 1 940 . 1 1 100 100 LYS HA H 1 3.88 0.05 . 1 . . . . 100 LYS HA . 6942 1 941 . 1 1 100 100 LYS HB2 H 1 1.92 0.05 . 2 . . . . 100 LYS HB2 . 6942 1 942 . 1 1 100 100 LYS HB3 H 1 1.96 0.05 . 2 . . . . 100 LYS HB3 . 6942 1 943 . 1 1 100 100 LYS HG2 H 1 1.46 0.05 . 2 . . . . 100 LYS HG2 . 6942 1 944 . 1 1 100 100 LYS HG3 H 1 1.57 0.05 . 2 . . . . 100 LYS HG3 . 6942 1 945 . 1 1 100 100 LYS HD2 H 1 1.61 0.05 . 1 . . . . 100 LYS HD2 . 6942 1 946 . 1 1 100 100 LYS HD3 H 1 1.61 0.05 . 1 . . . . 100 LYS HD3 . 6942 1 947 . 1 1 100 100 LYS HE2 H 1 2.87 0.05 . 2 . . . . 100 LYS HE2 . 6942 1 948 . 1 1 100 100 LYS HE3 H 1 2.88 0.05 . 2 . . . . 100 LYS HE3 . 6942 1 949 . 1 1 100 100 LYS C C 13 179.71 0.15 . 1 . . . . 100 LYS C . 6942 1 950 . 1 1 100 100 LYS CA C 13 60.75 0.15 . 1 . . . . 100 LYS CA . 6942 1 951 . 1 1 100 100 LYS CB C 13 33.56 0.15 . 1 . . . . 100 LYS CB . 6942 1 952 . 1 1 100 100 LYS CG C 13 20.63 0.15 . 1 . . . . 100 LYS CG . 6942 1 953 . 1 1 100 100 LYS CD C 13 27.63 0.15 . 1 . . . . 100 LYS CD . 6942 1 954 . 1 1 100 100 LYS CE C 13 43.2 0.15 . 1 . . . . 100 LYS CE . 6942 1 955 . 1 1 100 100 LYS N N 15 120.04 0.15 . 1 . . . . 100 LYS N . 6942 1 956 . 1 1 101 101 LEU H H 1 8.9 0.05 . 1 . . . . 101 LEU H . 6942 1 957 . 1 1 101 101 LEU HA H 1 4.31 0.05 . 1 . . . . 101 LEU HA . 6942 1 958 . 1 1 101 101 LEU HB2 H 1 2.17 0.05 . 2 . . . . 101 LEU HB2 . 6942 1 959 . 1 1 101 101 LEU HB3 H 1 1.91 0.05 . 2 . . . . 101 LEU HB3 . 6942 1 960 . 1 1 101 101 LEU HG H 1 1.54 0.05 . 1 . . . . 101 LEU HG . 6942 1 961 . 1 1 101 101 LEU HD11 H 1 0.93 0.05 . 2 . . . . 101 LEU HD1 . 6942 1 962 . 1 1 101 101 LEU HD12 H 1 0.93 0.05 . 2 . . . . 101 LEU HD1 . 6942 1 963 . 1 1 101 101 LEU HD13 H 1 0.93 0.05 . 2 . . . . 101 LEU HD1 . 6942 1 964 . 1 1 101 101 LEU HD21 H 1 0.93 0.05 . 2 . . . . 101 LEU HD2 . 6942 1 965 . 1 1 101 101 LEU HD22 H 1 0.93 0.05 . 2 . . . . 101 LEU HD2 . 6942 1 966 . 1 1 101 101 LEU HD23 H 1 0.93 0.05 . 2 . . . . 101 LEU HD2 . 6942 1 967 . 1 1 101 101 LEU C C 13 172.83 0.15 . 1 . . . . 101 LEU C . 6942 1 968 . 1 1 101 101 LEU CA C 13 58.3 0.15 . 1 . . . . 101 LEU CA . 6942 1 969 . 1 1 101 101 LEU CB C 13 42.53 0.15 . 1 . . . . 101 LEU CB . 6942 1 970 . 1 1 101 101 LEU CG C 13 26.7 0.15 . 1 . . . . 101 LEU CG . 6942 1 971 . 1 1 101 101 LEU CD1 C 13 24.96 0.15 . 2 . . . . 101 LEU CD1 . 6942 1 972 . 1 1 101 101 LEU CD2 C 13 23.48 0.15 . 2 . . . . 101 LEU CD2 . 6942 1 973 . 1 1 101 101 LEU N N 15 119.82 0.15 . 1 . . . . 101 LEU N . 6942 1 974 . 1 1 102 102 ARG H H 1 8.02 0.05 . 1 . . . . 102 ARG H . 6942 1 975 . 1 1 102 102 ARG HA H 1 4.47 0.05 . 1 . . . . 102 ARG HA . 6942 1 976 . 1 1 102 102 ARG HB2 H 1 1.91 0.05 . 2 . . . . 102 ARG HB2 . 6942 1 977 . 1 1 102 102 ARG HB3 H 1 1.9 0.05 . 2 . . . . 102 ARG HB3 . 6942 1 978 . 1 1 102 102 ARG HG2 H 1 1.55 0.05 . 2 . . . . 102 ARG HG2 . 6942 1 979 . 1 1 102 102 ARG HG3 H 1 1.56 0.05 . 2 . . . . 102 ARG HG3 . 6942 1 980 . 1 1 102 102 ARG HD2 H 1 3.13 0.05 . 1 . . . . 102 ARG HD2 . 6942 1 981 . 1 1 102 102 ARG HD3 H 1 3.13 0.05 . 1 . . . . 102 ARG HD3 . 6942 1 982 . 1 1 102 102 ARG C C 13 178.85 0.15 . 1 . . . . 102 ARG C . 6942 1 983 . 1 1 102 102 ARG CA C 13 59.94 0.15 . 1 . . . . 102 ARG CA . 6942 1 984 . 1 1 102 102 ARG CB C 13 30.47 0.15 . 1 . . . . 102 ARG CB . 6942 1 985 . 1 1 102 102 ARG CG C 13 26.7 0.15 . 1 . . . . 102 ARG CG . 6942 1 986 . 1 1 102 102 ARG CD C 13 43.33 0.15 . 1 . . . . 102 ARG CD . 6942 1 987 . 1 1 102 102 ARG N N 15 118.74 0.15 . 1 . . . . 102 ARG N . 6942 1 988 . 1 1 103 103 TRP H H 1 7.92 0.05 . 1 . . . . 103 TRP H . 6942 1 989 . 1 1 103 103 TRP HA H 1 4.02 0.05 . 1 . . . . 103 TRP HA . 6942 1 990 . 1 1 103 103 TRP HB2 H 1 3.38 0.05 . 2 . . . . 103 TRP HB2 . 6942 1 991 . 1 1 103 103 TRP HB3 H 1 3.18 0.05 . 2 . . . . 103 TRP HB3 . 6942 1 992 . 1 1 103 103 TRP HE1 H 1 9.96 0.05 . 1 . . . . 103 TRP HE1 . 6942 1 993 . 1 1 103 103 TRP C C 13 177.72 0.15 . 1 . . . . 103 TRP C . 6942 1 994 . 1 1 103 103 TRP CA C 13 62.11 0.15 . 1 . . . . 103 TRP CA . 6942 1 995 . 1 1 103 103 TRP CB C 13 30.03 0.15 . 1 . . . . 103 TRP CB . 6942 1 996 . 1 1 103 103 TRP N N 15 121.65 0.15 . 1 . . . . 103 TRP N . 6942 1 997 . 1 1 103 103 TRP NE1 N 15 128.03 0.15 . 1 . . . . 103 TRP NE1 . 6942 1 998 . 1 1 104 104 ALA H H 1 8.92 0.05 . 1 . . . . 104 ALA H . 6942 1 999 . 1 1 104 104 ALA HA H 1 4 0.05 . 1 . . . . 104 ALA HA . 6942 1 1000 . 1 1 104 104 ALA HB1 H 1 1.43 0.05 . 1 . . . . 104 ALA HB . 6942 1 1001 . 1 1 104 104 ALA HB2 H 1 1.43 0.05 . 1 . . . . 104 ALA HB . 6942 1 1002 . 1 1 104 104 ALA HB3 H 1 1.43 0.05 . 1 . . . . 104 ALA HB . 6942 1 1003 . 1 1 104 104 ALA C C 13 178.47 0.15 . 1 . . . . 104 ALA C . 6942 1 1004 . 1 1 104 104 ALA CA C 13 55.12 0.15 . 1 . . . . 104 ALA CA . 6942 1 1005 . 1 1 104 104 ALA CB C 13 18.88 0.15 . 1 . . . . 104 ALA CB . 6942 1 1006 . 1 1 104 104 ALA N N 15 119.67 0.15 . 1 . . . . 104 ALA N . 6942 1 1007 . 1 1 105 105 PHE H H 1 8.56 0.05 . 1 . . . . 105 PHE H . 6942 1 1008 . 1 1 105 105 PHE HA H 1 4.26 0.05 . 1 . . . . 105 PHE HA . 6942 1 1009 . 1 1 105 105 PHE HB2 H 1 2.78 0.05 . 1 . . . . 105 PHE HB2 . 6942 1 1010 . 1 1 105 105 PHE HB3 H 1 2.76 0.05 . 1 . . . . 105 PHE HB3 . 6942 1 1011 . 1 1 105 105 PHE C C 13 175.84 0.15 . 1 . . . . 105 PHE C . 6942 1 1012 . 1 1 105 105 PHE CA C 13 62.38 0.15 . 1 . . . . 105 PHE CA . 6942 1 1013 . 1 1 105 105 PHE CB C 13 39.54 0.15 . 1 . . . . 105 PHE CB . 6942 1 1014 . 1 1 105 105 PHE N N 15 118.31 0.15 . 1 . . . . 105 PHE N . 6942 1 1015 . 1 1 106 106 LYS H H 1 7.14 0.05 . 1 . . . . 106 LYS H . 6942 1 1016 . 1 1 106 106 LYS HA H 1 3.86 0.05 . 1 . . . . 106 LYS HA . 6942 1 1017 . 1 1 106 106 LYS HB2 H 1 1.79 0.05 . 2 . . . . 106 LYS HB2 . 6942 1 1018 . 1 1 106 106 LYS HB3 H 1 1.81 0.05 . 2 . . . . 106 LYS HB3 . 6942 1 1019 . 1 1 106 106 LYS HG2 H 1 1.61 0.05 . 2 . . . . 106 LYS HG2 . 6942 1 1020 . 1 1 106 106 LYS HG3 H 1 1.6 0.05 . 2 . . . . 106 LYS HG3 . 6942 1 1021 . 1 1 106 106 LYS HD2 H 1 1.67 0.05 . 2 . . . . 106 LYS HD2 . 6942 1 1022 . 1 1 106 106 LYS HD3 H 1 1.66 0.05 . 2 . . . . 106 LYS HD3 . 6942 1 1023 . 1 1 106 106 LYS HE2 H 1 3.13 0.05 . 1 . . . . 106 LYS HE2 . 6942 1 1024 . 1 1 106 106 LYS HE3 H 1 3.13 0.05 . 1 . . . . 106 LYS HE3 . 6942 1 1025 . 1 1 106 106 LYS C C 13 177.84 0.15 . 1 . . . . 106 LYS C . 6942 1 1026 . 1 1 106 106 LYS CA C 13 58.58 0.15 . 1 . . . . 106 LYS CA . 6942 1 1027 . 1 1 106 106 LYS CB C 13 32.47 0.15 . 1 . . . . 106 LYS CB . 6942 1 1028 . 1 1 106 106 LYS CG C 13 24.83 0.15 . 1 . . . . 106 LYS CG . 6942 1 1029 . 1 1 106 106 LYS CD C 13 29.3 0.15 . 1 . . . . 106 LYS CD . 6942 1 1030 . 1 1 106 106 LYS CE C 13 41.97 0.15 . 1 . . . . 106 LYS CE . 6942 1 1031 . 1 1 106 106 LYS N N 15 114.34 0.15 . 1 . . . . 106 LYS N . 6942 1 1032 . 1 1 107 107 LEU H H 1 7.24 0.05 . 1 . . . . 107 LEU H . 6942 1 1033 . 1 1 107 107 LEU HA H 1 3.59 0.05 . 1 . . . . 107 LEU HA . 6942 1 1034 . 1 1 107 107 LEU HB2 H 1 1.58 0.05 . 2 . . . . 107 LEU HB2 . 6942 1 1035 . 1 1 107 107 LEU HB3 H 1 1.59 0.05 . 2 . . . . 107 LEU HB3 . 6942 1 1036 . 1 1 107 107 LEU HG H 1 1.49 0.05 . 1 . . . . 107 LEU HG . 6942 1 1037 . 1 1 107 107 LEU HD11 H 1 0.7 0.05 . 2 . . . . 107 LEU HD1 . 6942 1 1038 . 1 1 107 107 LEU HD12 H 1 0.7 0.05 . 2 . . . . 107 LEU HD1 . 6942 1 1039 . 1 1 107 107 LEU HD13 H 1 0.7 0.05 . 2 . . . . 107 LEU HD1 . 6942 1 1040 . 1 1 107 107 LEU HD21 H 1 0.7 0.05 . 2 . . . . 107 LEU HD2 . 6942 1 1041 . 1 1 107 107 LEU HD22 H 1 0.7 0.05 . 2 . . . . 107 LEU HD2 . 6942 1 1042 . 1 1 107 107 LEU HD23 H 1 0.7 0.05 . 2 . . . . 107 LEU HD2 . 6942 1 1043 . 1 1 107 107 LEU C C 13 176.21 0.15 . 1 . . . . 107 LEU C . 6942 1 1044 . 1 1 107 107 LEU CA C 13 56.95 0.15 . 1 . . . . 107 LEU CA . 6942 1 1045 . 1 1 107 107 LEU CB C 13 41.17 0.15 . 1 . . . . 107 LEU CB . 6942 1 1046 . 1 1 107 107 LEU CG C 13 29.28 0.15 . 1 . . . . 107 LEU CG . 6942 1 1047 . 1 1 107 107 LEU CD1 C 13 24.93 0.15 . 1 . . . . 107 LEU CD1 . 6942 1 1048 . 1 1 107 107 LEU CD2 C 13 24.93 0.15 . 1 . . . . 107 LEU CD2 . 6942 1 1049 . 1 1 107 107 LEU N N 15 118.91 0.15 . 1 . . . . 107 LEU N . 6942 1 1050 . 1 1 108 108 TYR H H 1 7.32 0.05 . 1 . . . . 108 TYR H . 6942 1 1051 . 1 1 108 108 TYR HA H 1 4.77 0.05 . 1 . . . . 108 TYR HA . 6942 1 1052 . 1 1 108 108 TYR HB2 H 1 2.98 0.05 . 2 . . . . 108 TYR HB2 . 6942 1 1053 . 1 1 108 108 TYR HB3 H 1 2.96 0.05 . 2 . . . . 108 TYR HB3 . 6942 1 1054 . 1 1 108 108 TYR C C 13 175.37 0.15 . 1 . . . . 108 TYR C . 6942 1 1055 . 1 1 108 108 TYR CA C 13 59.66 0.15 . 1 . . . . 108 TYR CA . 6942 1 1056 . 1 1 108 108 TYR CB C 13 39.81 0.15 . 1 . . . . 108 TYR CB . 6942 1 1057 . 1 1 108 108 TYR N N 15 113.04 0.15 . 1 . . . . 108 TYR N . 6942 1 1058 . 1 1 109 109 ASP H H 1 7.53 0.05 . 1 . . . . 109 ASP H . 6942 1 1059 . 1 1 109 109 ASP HA H 1 4.43 0.05 . 1 . . . . 109 ASP HA . 6942 1 1060 . 1 1 109 109 ASP HB2 H 1 2.48 0.05 . 2 . . . . 109 ASP HB2 . 6942 1 1061 . 1 1 109 109 ASP HB3 H 1 2.49 0.05 . 2 . . . . 109 ASP HB3 . 6942 1 1062 . 1 1 109 109 ASP C C 13 177.71 0.15 . 1 . . . . 109 ASP C . 6942 1 1063 . 1 1 109 109 ASP CA C 13 51.78 0.15 . 1 . . . . 109 ASP CA . 6942 1 1064 . 1 1 109 109 ASP CB C 13 38.18 0.15 . 1 . . . . 109 ASP CB . 6942 1 1065 . 1 1 109 109 ASP N N 15 114.47 0.15 . 1 . . . . 109 ASP N . 6942 1 1066 . 1 1 110 110 LEU H H 1 7.48 0.05 . 1 . . . . 110 LEU H . 6942 1 1067 . 1 1 110 110 LEU HA H 1 3.93 0.05 . 1 . . . . 110 LEU HA . 6942 1 1068 . 1 1 110 110 LEU HB2 H 1 1.76 0.05 . 2 . . . . 110 LEU HB2 . 6942 1 1069 . 1 1 110 110 LEU HB3 H 1 1.59 0.05 . 2 . . . . 110 LEU HB3 . 6942 1 1070 . 1 1 110 110 LEU HG H 1 1.4 0.05 . 1 . . . . 110 LEU HG . 6942 1 1071 . 1 1 110 110 LEU HD11 H 1 0.79 0.05 . 2 . . . . 110 LEU HD1 . 6942 1 1072 . 1 1 110 110 LEU HD12 H 1 0.79 0.05 . 2 . . . . 110 LEU HD1 . 6942 1 1073 . 1 1 110 110 LEU HD13 H 1 0.79 0.05 . 2 . . . . 110 LEU HD1 . 6942 1 1074 . 1 1 110 110 LEU HD21 H 1 0.79 0.05 . 2 . . . . 110 LEU HD2 . 6942 1 1075 . 1 1 110 110 LEU HD22 H 1 0.79 0.05 . 2 . . . . 110 LEU HD2 . 6942 1 1076 . 1 1 110 110 LEU HD23 H 1 0.79 0.05 . 2 . . . . 110 LEU HD2 . 6942 1 1077 . 1 1 110 110 LEU C C 13 179.19 0.15 . 1 . . . . 110 LEU C . 6942 1 1078 . 1 1 110 110 LEU CA C 13 58.03 0.15 . 1 . . . . 110 LEU CA . 6942 1 1079 . 1 1 110 110 LEU CB C 13 43.08 0.15 . 1 . . . . 110 LEU CB . 6942 1 1080 . 1 1 110 110 LEU CG C 13 27.02 0.15 . 1 . . . . 110 LEU CG . 6942 1 1081 . 1 1 110 110 LEU CD1 C 13 25.11 0.15 . 1 . . . . 110 LEU CD1 . 6942 1 1082 . 1 1 110 110 LEU CD2 C 13 23.48 0.15 . 1 . . . . 110 LEU CD2 . 6942 1 1083 . 1 1 110 110 LEU N N 15 124.96 0.15 . 1 . . . . 110 LEU N . 6942 1 1084 . 1 1 111 111 ASP H H 1 8.19 0.05 . 1 . . . . 111 ASP H . 6942 1 1085 . 1 1 111 111 ASP HA H 1 4.56 0.05 . 1 . . . . 111 ASP HA . 6942 1 1086 . 1 1 111 111 ASP HB2 H 1 3.1 0.05 . 2 . . . . 111 ASP HB2 . 6942 1 1087 . 1 1 111 111 ASP HB3 H 1 2.54 0.05 . 2 . . . . 111 ASP HB3 . 6942 1 1088 . 1 1 111 111 ASP C C 13 176.72 0.15 . 1 . . . . 111 ASP C . 6942 1 1089 . 1 1 111 111 ASP CA C 13 52.59 0.15 . 1 . . . . 111 ASP CA . 6942 1 1090 . 1 1 111 111 ASP CB C 13 39.81 0.15 . 1 . . . . 111 ASP CB . 6942 1 1091 . 1 1 111 111 ASP N N 15 114.38 0.15 . 1 . . . . 111 ASP N . 6942 1 1092 . 1 1 112 112 ASN H H 1 8.11 0.05 . 1 . . . . 112 ASN H . 6942 1 1093 . 1 1 112 112 ASN HA H 1 4.35 0.05 . 1 . . . . 112 ASN HA . 6942 1 1094 . 1 1 112 112 ASN HB2 H 1 2.56 0.05 . 2 . . . . 112 ASN HB2 . 6942 1 1095 . 1 1 112 112 ASN HB3 H 1 2.52 0.05 . 2 . . . . 112 ASN HB3 . 6942 1 1096 . 1 1 112 112 ASN C C 13 174.88 0.15 . 1 . . . . 112 ASN C . 6942 1 1097 . 1 1 112 112 ASN CA C 13 54.5 0.15 . 1 . . . . 112 ASN CA . 6942 1 1098 . 1 1 112 112 ASN CB C 13 38.45 0.15 . 1 . . . . 112 ASN CB . 6942 1 1099 . 1 1 112 112 ASN N N 15 117.13 0.15 . 1 . . . . 112 ASN N . 6942 1 1100 . 1 1 113 113 ASP H H 1 8.67 0.05 . 1 . . . . 113 ASP H . 6942 1 1101 . 1 1 113 113 ASP HA H 1 4.59 0.05 . 1 . . . . 113 ASP HA . 6942 1 1102 . 1 1 113 113 ASP HB2 H 1 3.15 0.05 . 2 . . . . 113 ASP HB2 . 6942 1 1103 . 1 1 113 113 ASP HB3 H 1 2.57 0.05 . 2 . . . . 113 ASP HB3 . 6942 1 1104 . 1 1 113 113 ASP C C 13 177.44 0.15 . 1 . . . . 113 ASP C . 6942 1 1105 . 1 1 113 113 ASP CA C 13 53.68 0.15 . 1 . . . . 113 ASP CA . 6942 1 1106 . 1 1 113 113 ASP CB C 13 41.45 0.15 . 1 . . . . 113 ASP CB . 6942 1 1107 . 1 1 113 113 ASP N N 15 119.55 0.15 . 1 . . . . 113 ASP N . 6942 1 1108 . 1 1 114 114 GLY H H 1 10.65 0.05 . 1 . . . . 114 GLY H . 6942 1 1109 . 1 1 114 114 GLY HA2 H 1 4.05 0.05 . 2 . . . . 114 GLY HA2 . 6942 1 1110 . 1 1 114 114 GLY HA3 H 1 3.41 0.05 . 2 . . . . 114 GLY HA3 . 6942 1 1111 . 1 1 114 114 GLY C C 13 172.49 0.15 . 1 . . . . 114 GLY C . 6942 1 1112 . 1 1 114 114 GLY CA C 13 44.98 0.15 . 1 . . . . 114 GLY CA . 6942 1 1113 . 1 1 114 114 GLY N N 15 113.16 0.15 . 1 . . . . 114 GLY N . 6942 1 1114 . 1 1 115 115 TYR H H 1 8.25 0.05 . 1 . . . . 115 TYR H . 6942 1 1115 . 1 1 115 115 TYR HA H 1 5.41 0.05 . 1 . . . . 115 TYR HA . 6942 1 1116 . 1 1 115 115 TYR HB2 H 1 2.51 0.05 . 2 . . . . 115 TYR HB2 . 6942 1 1117 . 1 1 115 115 TYR HB3 H 1 2.95 0.05 . 2 . . . . 115 TYR HB3 . 6942 1 1118 . 1 1 115 115 TYR C C 13 175.6 0.15 . 1 . . . . 115 TYR C . 6942 1 1119 . 1 1 115 115 TYR CA C 13 55.59 0.15 . 1 . . . . 115 TYR CA . 6942 1 1120 . 1 1 115 115 TYR CB C 13 42.26 0.15 . 1 . . . . 115 TYR CB . 6942 1 1121 . 1 1 115 115 TYR N N 15 117.27 0.15 . 1 . . . . 115 TYR N . 6942 1 1122 . 1 1 116 116 ILE H H 1 9.61 0.05 . 1 . . . . 116 ILE H . 6942 1 1123 . 1 1 116 116 ILE HA H 1 4.82 0.05 . 1 . . . . 116 ILE HA . 6942 1 1124 . 1 1 116 116 ILE HB H 1 1.62 0.05 . 1 . . . . 116 ILE HB . 6942 1 1125 . 1 1 116 116 ILE HG12 H 1 0.97 0.05 . 1 . . . . 116 ILE HG12 . 6942 1 1126 . 1 1 116 116 ILE HG13 H 1 0.97 0.05 . 1 . . . . 116 ILE HG13 . 6942 1 1127 . 1 1 116 116 ILE HD11 H 1 -0.01 0.05 . 9 . . . . 116 ILE HD1 . 6942 1 1128 . 1 1 116 116 ILE HD12 H 1 -0.01 0.05 . 9 . . . . 116 ILE HD1 . 6942 1 1129 . 1 1 116 116 ILE HD13 H 1 -0.01 0.05 . 9 . . . . 116 ILE HD1 . 6942 1 1130 . 1 1 116 116 ILE C C 13 177.3 0.15 . 1 . . . . 116 ILE C . 6942 1 1131 . 1 1 116 116 ILE CA C 13 60.48 0.15 . 1 . . . . 116 ILE CA . 6942 1 1132 . 1 1 116 116 ILE N N 15 124.95 0.15 . 1 . . . . 116 ILE N . 6942 1 1133 . 1 1 117 117 THR H H 1 9.49 0.05 . 1 . . . . 117 THR H . 6942 1 1134 . 1 1 117 117 THR HA H 1 5 0.05 . 1 . . . . 117 THR HA . 6942 1 1135 . 1 1 117 117 THR HB H 1 4.17 0.05 . 1 . . . . 117 THR HB . 6942 1 1136 . 1 1 117 117 THR HG21 H 1 1.33 0.05 . 1 . . . . 117 THR HG2 . 6942 1 1137 . 1 1 117 117 THR HG22 H 1 1.33 0.05 . 1 . . . . 117 THR HG2 . 6942 1 1138 . 1 1 117 117 THR HG23 H 1 1.33 0.05 . 1 . . . . 117 THR HG2 . 6942 1 1139 . 1 1 117 117 THR C C 13 175.95 0.15 . 1 . . . . 117 THR C . 6942 1 1140 . 1 1 117 117 THR CA C 13 60.75 0.15 . 1 . . . . 117 THR CA . 6942 1 1141 . 1 1 117 117 THR CB C 13 71.08 0.15 . 1 . . . . 117 THR CB . 6942 1 1142 . 1 1 117 117 THR CG2 C 13 21.37 0.15 . 1 . . . . 117 THR CG2 . 6942 1 1143 . 1 1 117 117 THR N N 15 119.65 0.15 . 1 . . . . 117 THR N . 6942 1 1144 . 1 1 118 118 ARG H H 1 8.22 0.05 . 1 . . . . 118 ARG H . 6942 1 1145 . 1 1 118 118 ARG HA H 1 4.06 0.05 . 1 . . . . 118 ARG HA . 6942 1 1146 . 1 1 118 118 ARG HB2 H 1 1.63 0.05 . 1 . . . . 118 ARG HB2 . 6942 1 1147 . 1 1 118 118 ARG HB3 H 1 1.63 0.05 . 1 . . . . 118 ARG HB3 . 6942 1 1148 . 1 1 118 118 ARG HG2 H 1 1.22 0.05 . 2 . . . . 118 ARG HG2 . 6942 1 1149 . 1 1 118 118 ARG HG3 H 1 1.21 0.05 . 2 . . . . 118 ARG HG3 . 6942 1 1150 . 1 1 118 118 ARG C C 13 177.6 0.15 . 1 . . . . 118 ARG C . 6942 1 1151 . 1 1 118 118 ARG CA C 13 60.48 0.15 . 1 . . . . 118 ARG CA . 6942 1 1152 . 1 1 118 118 ARG N N 15 121.28 0.15 . 1 . . . . 118 ARG N . 6942 1 1153 . 1 1 119 119 ASN H H 1 8.29 0.05 . 1 . . . . 119 ASN H . 6942 1 1154 . 1 1 119 119 ASN HA H 1 4.31 0.05 . 1 . . . . 119 ASN HA . 6942 1 1155 . 1 1 119 119 ASN HB2 H 1 2.75 0.05 . 2 . . . . 119 ASN HB2 . 6942 1 1156 . 1 1 119 119 ASN HB3 H 1 2.66 0.05 . 2 . . . . 119 ASN HB3 . 6942 1 1157 . 1 1 119 119 ASN C C 13 177.73 0.15 . 1 . . . . 119 ASN C . 6942 1 1158 . 1 1 119 119 ASN CA C 13 56.4 0.15 . 1 . . . . 119 ASN CA . 6942 1 1159 . 1 1 119 119 ASN CB C 13 37.91 0.15 . 1 . . . . 119 ASN CB . 6942 1 1160 . 1 1 119 119 ASN N N 15 114.35 0.15 . 1 . . . . 119 ASN N . 6942 1 1161 . 1 1 120 120 GLU H H 1 7.48 0.05 . 1 . . . . 120 GLU H . 6942 1 1162 . 1 1 120 120 GLU HA H 1 4.03 0.05 . 1 . . . . 120 GLU HA . 6942 1 1163 . 1 1 120 120 GLU HB2 H 1 2.05 0.05 . 2 . . . . 120 GLU HB2 . 6942 1 1164 . 1 1 120 120 GLU HB3 H 1 2.06 0.05 . 2 . . . . 120 GLU HB3 . 6942 1 1165 . 1 1 120 120 GLU HG2 H 1 2.51 0.05 . 2 . . . . 120 GLU HG2 . 6942 1 1166 . 1 1 120 120 GLU HG3 H 1 2.5 0.05 . 2 . . . . 120 GLU HG3 . 6942 1 1167 . 1 1 120 120 GLU C C 13 177.42 0.15 . 1 . . . . 120 GLU C . 6942 1 1168 . 1 1 120 120 GLU CA C 13 59.39 0.15 . 1 . . . . 120 GLU CA . 6942 1 1169 . 1 1 120 120 GLU CB C 13 29.21 0.15 . 1 . . . . 120 GLU CB . 6942 1 1170 . 1 1 120 120 GLU CG C 13 36.2 0.15 . 1 . . . . 120 GLU CG . 6942 1 1171 . 1 1 120 120 GLU N N 15 121.07 0.15 . 1 . . . . 120 GLU N . 6942 1 1172 . 1 1 121 121 MET H H 1 8.07 0.05 . 1 . . . . 121 MET H . 6942 1 1173 . 1 1 121 121 MET HA H 1 4.3 0.05 . 1 . . . . 121 MET HA . 6942 1 1174 . 1 1 121 121 MET HB2 H 1 2.09 0.05 . 2 . . . . 121 MET HB2 . 6942 1 1175 . 1 1 121 121 MET HB3 H 1 2.11 0.05 . 2 . . . . 121 MET HB3 . 6942 1 1176 . 1 1 121 121 MET HG2 H 1 2.28 0.05 . 2 . . . . 121 MET HG2 . 6942 1 1177 . 1 1 121 121 MET HG3 H 1 2.27 0.05 . 2 . . . . 121 MET HG3 . 6942 1 1178 . 1 1 121 121 MET C C 13 177.92 0.15 . 1 . . . . 121 MET C . 6942 1 1179 . 1 1 121 121 MET CA C 13 59.12 0.15 . 1 . . . . 121 MET CA . 6942 1 1180 . 1 1 121 121 MET CB C 13 32.74 0.15 . 1 . . . . 121 MET CB . 6942 1 1181 . 1 1 121 121 MET N N 15 115.74 0.15 . 1 . . . . 121 MET N . 6942 1 1182 . 1 1 122 122 LEU H H 1 8.74 0.05 . 1 . . . . 122 LEU H . 6942 1 1183 . 1 1 122 122 LEU HA H 1 3.87 0.05 . 1 . . . . 122 LEU HA . 6942 1 1184 . 1 1 122 122 LEU HB2 H 1 1.76 0.05 . 2 . . . . 122 LEU HB2 . 6942 1 1185 . 1 1 122 122 LEU HB3 H 1 1.63 0.05 . 2 . . . . 122 LEU HB3 . 6942 1 1186 . 1 1 122 122 LEU HG H 1 1.58 0.05 . 1 . . . . 122 LEU HG . 6942 1 1187 . 1 1 122 122 LEU HD11 H 1 0.9 0.05 . 2 . . . . 122 LEU HD1 . 6942 1 1188 . 1 1 122 122 LEU HD12 H 1 0.9 0.05 . 2 . . . . 122 LEU HD1 . 6942 1 1189 . 1 1 122 122 LEU HD13 H 1 0.9 0.05 . 2 . . . . 122 LEU HD1 . 6942 1 1190 . 1 1 122 122 LEU HD21 H 1 0.9 0.05 . 2 . . . . 122 LEU HD2 . 6942 1 1191 . 1 1 122 122 LEU HD22 H 1 0.9 0.05 . 2 . . . . 122 LEU HD2 . 6942 1 1192 . 1 1 122 122 LEU HD23 H 1 0.9 0.05 . 2 . . . . 122 LEU HD2 . 6942 1 1193 . 1 1 122 122 LEU C C 13 177.66 0.15 . 1 . . . . 122 LEU C . 6942 1 1194 . 1 1 122 122 LEU CA C 13 58.58 0.15 . 1 . . . . 122 LEU CA . 6942 1 1195 . 1 1 122 122 LEU CB C 13 41.99 0.15 . 1 . . . . 122 LEU CB . 6942 1 1196 . 1 1 122 122 LEU CG C 13 26.95 0.15 . 1 . . . . 122 LEU CG . 6942 1 1197 . 1 1 122 122 LEU CD1 C 13 25.01 0.15 . 2 . . . . 122 LEU CD1 . 6942 1 1198 . 1 1 122 122 LEU N N 15 118.66 0.15 . 1 . . . . 122 LEU N . 6942 1 1199 . 1 1 123 123 ASP H H 1 7.62 0.05 . 1 . . . . 123 ASP H . 6942 1 1200 . 1 1 123 123 ASP HA H 1 4.59 0.05 . 1 . . . . 123 ASP HA . 6942 1 1201 . 1 1 123 123 ASP HB2 H 1 2.54 0.05 . 2 . . . . 123 ASP HB2 . 6942 1 1202 . 1 1 123 123 ASP HB3 H 1 2.84 0.05 . 2 . . . . 123 ASP HB3 . 6942 1 1203 . 1 1 123 123 ASP C C 13 179.6 0.15 . 1 . . . . 123 ASP C . 6942 1 1204 . 1 1 123 123 ASP CA C 13 58.03 0.15 . 1 . . . . 123 ASP CA . 6942 1 1205 . 1 1 123 123 ASP CB C 13 40.63 0.15 . 1 . . . . 123 ASP CB . 6942 1 1206 . 1 1 123 123 ASP N N 15 119.69 0.15 . 1 . . . . 123 ASP N . 6942 1 1207 . 1 1 124 124 ILE H H 1 7.57 0.05 . 1 . . . . 124 ILE H . 6942 1 1208 . 1 1 124 124 ILE HA H 1 4.48 0.05 . 1 . . . . 124 ILE HA . 6942 1 1209 . 1 1 124 124 ILE HB H 1 1.73 0.05 . 1 . . . . 124 ILE HB . 6942 1 1210 . 1 1 124 124 ILE HG12 H 1 1.27 0.05 . 2 . . . . 124 ILE HG12 . 6942 1 1211 . 1 1 124 124 ILE HG21 H 1 0.66 0.05 . 1 . . . . 124 ILE HG2 . 6942 1 1212 . 1 1 124 124 ILE HG22 H 1 0.66 0.05 . 1 . . . . 124 ILE HG2 . 6942 1 1213 . 1 1 124 124 ILE HG23 H 1 0.66 0.05 . 1 . . . . 124 ILE HG2 . 6942 1 1214 . 1 1 124 124 ILE HD11 H 1 0.64 0.05 . 1 . . . . 124 ILE HD1 . 6942 1 1215 . 1 1 124 124 ILE HD12 H 1 0.64 0.05 . 1 . . . . 124 ILE HD1 . 6942 1 1216 . 1 1 124 124 ILE HD13 H 1 0.64 0.05 . 1 . . . . 124 ILE HD1 . 6942 1 1217 . 1 1 124 124 ILE C C 13 178 0.15 . 1 . . . . 124 ILE C . 6942 1 1218 . 1 1 124 124 ILE CA C 13 62.66 0.15 . 1 . . . . 124 ILE CA . 6942 1 1219 . 1 1 124 124 ILE CB C 13 35.46 0.15 . 1 . . . . 124 ILE CB . 6942 1 1220 . 1 1 124 124 ILE N N 15 118.2 0.15 . 1 . . . . 124 ILE N . 6942 1 1221 . 1 1 125 125 VAL H H 1 9.07 0.05 . 1 . . . . 125 VAL H . 6942 1 1222 . 1 1 125 125 VAL HA H 1 3.62 0.05 . 1 . . . . 125 VAL HA . 6942 1 1223 . 1 1 125 125 VAL HB H 1 1.92 0.05 . 1 . . . . 125 VAL HB . 6942 1 1224 . 1 1 125 125 VAL HG11 H 1 0.76 0.05 . 2 . . . . 125 VAL HG1 . 6942 1 1225 . 1 1 125 125 VAL HG12 H 1 0.76 0.05 . 2 . . . . 125 VAL HG1 . 6942 1 1226 . 1 1 125 125 VAL HG13 H 1 0.76 0.05 . 2 . . . . 125 VAL HG1 . 6942 1 1227 . 1 1 125 125 VAL HG21 H 1 1.11 0.05 . 2 . . . . 125 VAL HG2 . 6942 1 1228 . 1 1 125 125 VAL HG22 H 1 1.11 0.05 . 2 . . . . 125 VAL HG2 . 6942 1 1229 . 1 1 125 125 VAL HG23 H 1 1.11 0.05 . 2 . . . . 125 VAL HG2 . 6942 1 1230 . 1 1 125 125 VAL C C 13 178.21 0.15 . 1 . . . . 125 VAL C . 6942 1 1231 . 1 1 125 125 VAL CA C 13 67.55 0.15 . 1 . . . . 125 VAL CA . 6942 1 1232 . 1 1 125 125 VAL CG1 C 13 19.99 0.15 . 1 . . . . 125 VAL CG1 . 6942 1 1233 . 1 1 125 125 VAL CG2 C 13 20.52 0.15 . 1 . . . . 125 VAL CG2 . 6942 1 1234 . 1 1 125 125 VAL N N 15 120.61 0.15 . 1 . . . . 125 VAL N . 6942 1 1235 . 1 1 126 126 ASP H H 1 9.17 0.05 . 1 . . . . 126 ASP H . 6942 1 1236 . 1 1 126 126 ASP HA H 1 4.3 0.05 . 1 . . . . 126 ASP HA . 6942 1 1237 . 1 1 126 126 ASP HB2 H 1 2.8 0.05 . 2 . . . . 126 ASP HB2 . 6942 1 1238 . 1 1 126 126 ASP HB3 H 1 2.81 0.05 . 2 . . . . 126 ASP HB3 . 6942 1 1239 . 1 1 126 126 ASP C C 13 177.92 0.15 . 1 . . . . 126 ASP C . 6942 1 1240 . 1 1 126 126 ASP CA C 13 58.3 0.15 . 1 . . . . 126 ASP CA . 6942 1 1241 . 1 1 126 126 ASP CB C 13 43.08 0.15 . 1 . . . . 126 ASP CB . 6942 1 1242 . 1 1 126 126 ASP N N 15 119.97 0.15 . 1 . . . . 126 ASP N . 6942 1 1243 . 1 1 127 127 ALA H H 1 7.82 0.05 . 1 . . . . 127 ALA H . 6942 1 1244 . 1 1 127 127 ALA HA H 1 4.26 0.05 . 1 . . . . 127 ALA HA . 6942 1 1245 . 1 1 127 127 ALA HB1 H 1 1.38 0.05 . 1 . . . . 127 ALA HB . 6942 1 1246 . 1 1 127 127 ALA HB2 H 1 1.38 0.05 . 1 . . . . 127 ALA HB . 6942 1 1247 . 1 1 127 127 ALA HB3 H 1 1.38 0.05 . 1 . . . . 127 ALA HB . 6942 1 1248 . 1 1 127 127 ALA C C 13 181 0.15 . 1 . . . . 127 ALA C . 6942 1 1249 . 1 1 127 127 ALA CA C 13 55.59 0.15 . 1 . . . . 127 ALA CA . 6942 1 1250 . 1 1 127 127 ALA CB C 13 18.61 0.15 . 1 . . . . 127 ALA CB . 6942 1 1251 . 1 1 127 127 ALA N N 15 120.27 0.15 . 1 . . . . 127 ALA N . 6942 1 1252 . 1 1 128 128 ILE H H 1 8.98 0.05 . 1 . . . . 128 ILE H . 6942 1 1253 . 1 1 128 128 ILE HA H 1 4.16 0.05 . 1 . . . . 128 ILE HA . 6942 1 1254 . 1 1 128 128 ILE HB H 1 1.94 0.05 . 1 . . . . 128 ILE HB . 6942 1 1255 . 1 1 128 128 ILE HG12 H 1 1.28 0.05 . 1 . . . . 128 ILE HG12 . 6942 1 1256 . 1 1 128 128 ILE HG13 H 1 1.28 0.05 . 1 . . . . 128 ILE HG13 . 6942 1 1257 . 1 1 128 128 ILE HG21 H 1 0.79 0.05 . 1 . . . . 128 ILE HG2 . 6942 1 1258 . 1 1 128 128 ILE HG22 H 1 0.79 0.05 . 1 . . . . 128 ILE HG2 . 6942 1 1259 . 1 1 128 128 ILE HG23 H 1 0.79 0.05 . 1 . . . . 128 ILE HG2 . 6942 1 1260 . 1 1 128 128 ILE HD11 H 1 0.81 0.05 . 1 . . . . 128 ILE HD1 . 6942 1 1261 . 1 1 128 128 ILE HD12 H 1 0.81 0.05 . 1 . . . . 128 ILE HD1 . 6942 1 1262 . 1 1 128 128 ILE HD13 H 1 0.81 0.05 . 1 . . . . 128 ILE HD1 . 6942 1 1263 . 1 1 128 128 ILE C C 13 177.42 0.15 . 1 . . . . 128 ILE C . 6942 1 1264 . 1 1 128 128 ILE CA C 13 66.19 0.15 . 1 . . . . 128 ILE CA . 6942 1 1265 . 1 1 128 128 ILE CB C 13 38.58 0.15 . 1 . . . . 128 ILE CB . 6942 1 1266 . 1 1 128 128 ILE CG1 C 13 26.77 0.15 . 1 . . . . 128 ILE CG1 . 6942 1 1267 . 1 1 128 128 ILE CG2 C 13 17.3 0.15 . 1 . . . . 128 ILE CG2 . 6942 1 1268 . 1 1 128 128 ILE CD1 C 13 12.93 0.15 . 1 . . . . 128 ILE CD1 . 6942 1 1269 . 1 1 128 128 ILE N N 15 122.58 0.15 . 1 . . . . 128 ILE N . 6942 1 1270 . 1 1 129 129 TYR H H 1 9.19 0.05 . 1 . . . . 129 TYR H . 6942 1 1271 . 1 1 129 129 TYR HA H 1 4.23 0.05 . 1 . . . . 129 TYR HA . 6942 1 1272 . 1 1 129 129 TYR HB2 H 1 3.42 0.05 . 2 . . . . 129 TYR HB2 . 6942 1 1273 . 1 1 129 129 TYR HB3 H 1 3.05 0.05 . 2 . . . . 129 TYR HB3 . 6942 1 1274 . 1 1 129 129 TYR C C 13 180.09 0.15 . 1 . . . . 129 TYR C . 6942 1 1275 . 1 1 129 129 TYR CA C 13 61.02 0.15 . 1 . . . . 129 TYR CA . 6942 1 1276 . 1 1 129 129 TYR CB C 13 36.55 0.15 . 1 . . . . 129 TYR CB . 6942 1 1277 . 1 1 129 129 TYR N N 15 122.31 0.15 . 1 . . . . 129 TYR N . 6942 1 1278 . 1 1 130 130 GLN H H 1 8.58 0.05 . 1 . . . . 130 GLN H . 6942 1 1279 . 1 1 130 130 GLN HA H 1 4.18 0.05 . 1 . . . . 130 GLN HA . 6942 1 1280 . 1 1 130 130 GLN HB2 H 1 1.98 0.05 . 2 . . . . 130 GLN HB2 . 6942 1 1281 . 1 1 130 130 GLN HB3 H 1 1.92 0.05 . 2 . . . . 130 GLN HB3 . 6942 1 1282 . 1 1 130 130 GLN HG2 H 1 2.42 0.05 . 2 . . . . 130 GLN HG2 . 6942 1 1283 . 1 1 130 130 GLN HG3 H 1 2.57 0.05 . 2 . . . . 130 GLN HG3 . 6942 1 1284 . 1 1 130 130 GLN C C 13 178.31 0.15 . 1 . . . . 130 GLN C . 6942 1 1285 . 1 1 130 130 GLN CA C 13 59.12 0.15 . 1 . . . . 130 GLN CA . 6942 1 1286 . 1 1 130 130 GLN CB C 13 29.48 0.15 . 1 . . . . 130 GLN CB . 6942 1 1287 . 1 1 130 130 GLN CG C 13 32.45 0.15 . 1 . . . . 130 GLN CG . 6942 1 1288 . 1 1 130 130 GLN N N 15 118.28 0.15 . 1 . . . . 130 GLN N . 6942 1 1289 . 1 1 131 131 MET H H 1 7.77 0.05 . 1 . . . . 131 MET H . 6942 1 1290 . 1 1 131 131 MET HA H 1 4.21 0.05 . 1 . . . . 131 MET HA . 6942 1 1291 . 1 1 131 131 MET HB2 H 1 1.99 0.05 . 1 . . . . 131 MET HB2 . 6942 1 1292 . 1 1 131 131 MET HB3 H 1 1.99 0.05 . 1 . . . . 131 MET HB3 . 6942 1 1293 . 1 1 131 131 MET HG2 H 1 2.21 0.05 . 2 . . . . 131 MET HG2 . 6942 1 1294 . 1 1 131 131 MET HG3 H 1 2.22 0.05 . 2 . . . . 131 MET HG3 . 6942 1 1295 . 1 1 131 131 MET C C 13 176.38 0.15 . 1 . . . . 131 MET C . 6942 1 1296 . 1 1 131 131 MET CA C 13 59.12 0.15 . 1 . . . . 131 MET CA . 6942 1 1297 . 1 1 131 131 MET CB C 13 34.92 0.15 . 1 . . . . 131 MET CB . 6942 1 1298 . 1 1 131 131 MET N N 15 120.98 0.15 . 1 . . . . 131 MET N . 6942 1 1299 . 1 1 132 132 VAL H H 1 8.31 0.05 . 1 . . . . 132 VAL H . 6942 1 1300 . 1 1 132 132 VAL HA H 1 3.99 0.05 . 1 . . . . 132 VAL HA . 6942 1 1301 . 1 1 132 132 VAL HB H 1 2.07 0.05 . 1 . . . . 132 VAL HB . 6942 1 1302 . 1 1 132 132 VAL HG11 H 1 0.83 0.05 . 2 . . . . 132 VAL HG1 . 6942 1 1303 . 1 1 132 132 VAL HG12 H 1 0.83 0.05 . 2 . . . . 132 VAL HG1 . 6942 1 1304 . 1 1 132 132 VAL HG13 H 1 0.83 0.05 . 2 . . . . 132 VAL HG1 . 6942 1 1305 . 1 1 132 132 VAL HG21 H 1 0.84 0.05 . 2 . . . . 132 VAL HG2 . 6942 1 1306 . 1 1 132 132 VAL HG22 H 1 0.84 0.05 . 2 . . . . 132 VAL HG2 . 6942 1 1307 . 1 1 132 132 VAL HG23 H 1 0.84 0.05 . 2 . . . . 132 VAL HG2 . 6942 1 1308 . 1 1 132 132 VAL C C 13 178.08 0.15 . 1 . . . . 132 VAL C . 6942 1 1309 . 1 1 132 132 VAL CA C 13 63.74 0.15 . 1 . . . . 132 VAL CA . 6942 1 1310 . 1 1 132 132 VAL CB C 13 32.86 0.15 . 1 . . . . 132 VAL CB . 6942 1 1311 . 1 1 132 132 VAL CG1 C 13 21.15 0.15 . 2 . . . . 132 VAL CG1 . 6942 1 1312 . 1 1 132 132 VAL CG2 C 13 21.25 0.15 . 2 . . . . 132 VAL CG2 . 6942 1 1313 . 1 1 132 132 VAL N N 15 113.38 0.15 . 1 . . . . 132 VAL N . 6942 1 1314 . 1 1 133 133 GLY H H 1 7.89 0.05 . 1 . . . . 133 GLY H . 6942 1 1315 . 1 1 133 133 GLY HA2 H 1 3.85 0.05 . 2 . . . . 133 GLY HA2 . 6942 1 1316 . 1 1 133 133 GLY HA3 H 1 4.03 0.05 . 2 . . . . 133 GLY HA3 . 6942 1 1317 . 1 1 133 133 GLY C C 13 173.97 0.15 . 1 . . . . 133 GLY C . 6942 1 1318 . 1 1 133 133 GLY CA C 13 46.34 0.15 . 1 . . . . 133 GLY CA . 6942 1 1319 . 1 1 133 133 GLY N N 15 108.19 0.15 . 1 . . . . 133 GLY N . 6942 1 1320 . 1 1 134 134 ASN H H 1 8.57 0.05 . 1 . . . . 134 ASN H . 6942 1 1321 . 1 1 134 134 ASN HA H 1 4.91 0.05 . 1 . . . . 134 ASN HA . 6942 1 1322 . 1 1 134 134 ASN HB2 H 1 2.88 0.05 . 2 . . . . 134 ASN HB2 . 6942 1 1323 . 1 1 134 134 ASN HB3 H 1 2.89 0.05 . 2 . . . . 134 ASN HB3 . 6942 1 1324 . 1 1 134 134 ASN C C 13 176.32 0.15 . 1 . . . . 134 ASN C . 6942 1 1325 . 1 1 134 134 ASN CA C 13 53.14 0.15 . 1 . . . . 134 ASN CA . 6942 1 1326 . 1 1 134 134 ASN CB C 13 38.45 0.15 . 1 . . . . 134 ASN CB . 6942 1 1327 . 1 1 134 134 ASN N N 15 118.97 0.15 . 1 . . . . 134 ASN N . 6942 1 1328 . 1 1 135 135 THR H H 1 8.11 0.05 . 1 . . . . 135 THR H . 6942 1 1329 . 1 1 135 135 THR HA H 1 4.22 0.05 . 1 . . . . 135 THR HA . 6942 1 1330 . 1 1 135 135 THR HB H 1 4.31 0.05 . 1 . . . . 135 THR HB . 6942 1 1331 . 1 1 135 135 THR HG21 H 1 1.23 0.05 . 1 . . . . 135 THR HG2 . 6942 1 1332 . 1 1 135 135 THR HG22 H 1 1.23 0.05 . 1 . . . . 135 THR HG2 . 6942 1 1333 . 1 1 135 135 THR HG23 H 1 1.23 0.05 . 1 . . . . 135 THR HG2 . 6942 1 1334 . 1 1 135 135 THR C C 13 174.64 0.15 . 1 . . . . 135 THR C . 6942 1 1335 . 1 1 135 135 THR CA C 13 63.2 0.15 . 1 . . . . 135 THR CA . 6942 1 1336 . 1 1 135 135 THR CB C 13 69.72 0.15 . 1 . . . . 135 THR CB . 6942 1 1337 . 1 1 135 135 THR CG2 C 13 21.96 0.15 . 1 . . . . 135 THR CG2 . 6942 1 1338 . 1 1 135 135 THR N N 15 110.81 0.15 . 1 . . . . 135 THR N . 6942 1 1339 . 1 1 136 136 VAL H H 1 7.4 0.05 . 1 . . . . 136 VAL H . 6942 1 1340 . 1 1 136 136 VAL HA H 1 4.24 0.05 . 1 . . . . 136 VAL HA . 6942 1 1341 . 1 1 136 136 VAL HB H 1 1.95 0.05 . 1 . . . . 136 VAL HB . 6942 1 1342 . 1 1 136 136 VAL HG11 H 1 0.83 0.05 . 2 . . . . 136 VAL HG1 . 6942 1 1343 . 1 1 136 136 VAL HG12 H 1 0.83 0.05 . 2 . . . . 136 VAL HG1 . 6942 1 1344 . 1 1 136 136 VAL HG13 H 1 0.83 0.05 . 2 . . . . 136 VAL HG1 . 6942 1 1345 . 1 1 136 136 VAL HG21 H 1 0.82 0.05 . 2 . . . . 136 VAL HG2 . 6942 1 1346 . 1 1 136 136 VAL HG22 H 1 0.82 0.05 . 2 . . . . 136 VAL HG2 . 6942 1 1347 . 1 1 136 136 VAL HG23 H 1 0.82 0.05 . 2 . . . . 136 VAL HG2 . 6942 1 1348 . 1 1 136 136 VAL C C 13 175.03 0.15 . 1 . . . . 136 VAL C . 6942 1 1349 . 1 1 136 136 VAL CA C 13 61.02 0.15 . 1 . . . . 136 VAL CA . 6942 1 1350 . 1 1 136 136 VAL CB C 13 33.83 0.15 . 1 . . . . 136 VAL CB . 6942 1 1351 . 1 1 136 136 VAL CG1 C 13 20.55 0.15 . 2 . . . . 136 VAL CG1 . 6942 1 1352 . 1 1 136 136 VAL CG2 C 13 20.52 0.15 . 2 . . . . 136 VAL CG2 . 6942 1 1353 . 1 1 136 136 VAL N N 15 118.14 0.15 . 1 . . . . 136 VAL N . 6942 1 1354 . 1 1 137 137 GLU H H 1 8.36 0.05 . 1 . . . . 137 GLU H . 6942 1 1355 . 1 1 137 137 GLU HA H 1 4.29 0.05 . 1 . . . . 137 GLU HA . 6942 1 1356 . 1 1 137 137 GLU HB2 H 1 1.85 0.05 . 2 . . . . 137 GLU HB2 . 6942 1 1357 . 1 1 137 137 GLU HB3 H 1 1.97 0.05 . 2 . . . . 137 GLU HB3 . 6942 1 1358 . 1 1 137 137 GLU HG2 H 1 2.21 0.05 . 1 . . . . 137 GLU HG2 . 6942 1 1359 . 1 1 137 137 GLU HG3 H 1 2.21 0.05 . 1 . . . . 137 GLU HG3 . 6942 1 1360 . 1 1 137 137 GLU C C 13 175.93 0.15 . 1 . . . . 137 GLU C . 6942 1 1361 . 1 1 137 137 GLU CA C 13 55.86 0.15 . 1 . . . . 137 GLU CA . 6942 1 1362 . 1 1 137 137 GLU CB C 13 30.03 0.15 . 1 . . . . 137 GLU CB . 6942 1 1363 . 1 1 137 137 GLU CG C 13 36.01 0.15 . 1 . . . . 137 GLU CG . 6942 1 1364 . 1 1 137 137 GLU N N 15 123.6 0.15 . 1 . . . . 137 GLU N . 6942 1 1365 . 1 1 138 138 LEU H H 1 8.26 0.05 . 1 . . . . 138 LEU H . 6942 1 1366 . 1 1 138 138 LEU HA H 1 4.56 0.05 . 1 . . . . 138 LEU HA . 6942 1 1367 . 1 1 138 138 LEU HB2 H 1 1.52 0.05 . 2 . . . . 138 LEU HB2 . 6942 1 1368 . 1 1 138 138 LEU HB3 H 1 1.15 0.05 . 2 . . . . 138 LEU HB3 . 6942 1 1369 . 1 1 138 138 LEU HG H 1 1.51 0.05 . 1 . . . . 138 LEU HG . 6942 1 1370 . 1 1 138 138 LEU HD11 H 1 0.66 0.05 . 2 . . . . 138 LEU HD1 . 6942 1 1371 . 1 1 138 138 LEU HD12 H 1 0.66 0.05 . 2 . . . . 138 LEU HD1 . 6942 1 1372 . 1 1 138 138 LEU HD13 H 1 0.66 0.05 . 2 . . . . 138 LEU HD1 . 6942 1 1373 . 1 1 138 138 LEU HD21 H 1 0.66 0.05 . 2 . . . . 138 LEU HD2 . 6942 1 1374 . 1 1 138 138 LEU HD22 H 1 0.66 0.05 . 2 . . . . 138 LEU HD2 . 6942 1 1375 . 1 1 138 138 LEU HD23 H 1 0.66 0.05 . 2 . . . . 138 LEU HD2 . 6942 1 1376 . 1 1 138 138 LEU CA C 13 52.32 0.15 . 1 . . . . 138 LEU CA . 6942 1 1377 . 1 1 138 138 LEU CB C 13 42.26 0.15 . 1 . . . . 138 LEU CB . 6942 1 1378 . 1 1 138 138 LEU CG C 13 29.19 0.15 . 1 . . . . 138 LEU CG . 6942 1 1379 . 1 1 138 138 LEU CD1 C 13 25.4 0.15 . 1 . . . . 138 LEU CD1 . 6942 1 1380 . 1 1 138 138 LEU CD2 C 13 25.4 0.15 . 1 . . . . 138 LEU CD2 . 6942 1 1381 . 1 1 138 138 LEU N N 15 126.14 0.15 . 1 . . . . 138 LEU N . 6942 1 1382 . 1 1 139 139 PRO HA H 1 4.45 0.05 . 1 . . . . 139 PRO HA . 6942 1 1383 . 1 1 139 139 PRO C C 13 177.95 0.15 . 1 . . . . 139 PRO C . 6942 1 1384 . 1 1 139 139 PRO CA C 13 62.66 0.15 . 1 . . . . 139 PRO CA . 6942 1 1385 . 1 1 139 139 PRO CB C 13 32.2 0.15 . 1 . . . . 139 PRO CB . 6942 1 1386 . 1 1 140 140 GLU H H 1 8.81 0.05 . 1 . . . . 140 GLU H . 6942 1 1387 . 1 1 140 140 GLU HA H 1 3.92 0.05 . 1 . . . . 140 GLU HA . 6942 1 1388 . 1 1 140 140 GLU HB2 H 1 1.96 0.05 . 2 . . . . 140 GLU HB2 . 6942 1 1389 . 1 1 140 140 GLU HB3 H 1 2.06 0.05 . 2 . . . . 140 GLU HB3 . 6942 1 1390 . 1 1 140 140 GLU HG2 H 1 2.35 0.05 . 2 . . . . 140 GLU HG2 . 6942 1 1391 . 1 1 140 140 GLU HG3 H 1 2.26 0.05 . 2 . . . . 140 GLU HG3 . 6942 1 1392 . 1 1 140 140 GLU C C 13 178.13 0.15 . 1 . . . . 140 GLU C . 6942 1 1393 . 1 1 140 140 GLU CA C 13 59.66 0.15 . 1 . . . . 140 GLU CA . 6942 1 1394 . 1 1 140 140 GLU CB C 13 29.75 0.15 . 1 . . . . 140 GLU CB . 6942 1 1395 . 1 1 140 140 GLU CG C 13 33.94 0.15 . 1 . . . . 140 GLU CG . 6942 1 1396 . 1 1 140 140 GLU N N 15 124.54 0.15 . 1 . . . . 140 GLU N . 6942 1 1397 . 1 1 141 141 GLU H H 1 9.12 0.05 . 1 . . . . 141 GLU H . 6942 1 1398 . 1 1 141 141 GLU HA H 1 4.16 0.05 . 1 . . . . 141 GLU HA . 6942 1 1399 . 1 1 141 141 GLU HB2 H 1 1.99 0.05 . 2 . . . . 141 GLU HB2 . 6942 1 1400 . 1 1 141 141 GLU HB3 H 1 2.08 0.05 . 2 . . . . 141 GLU HB3 . 6942 1 1401 . 1 1 141 141 GLU HG2 H 1 2.36 0.05 . 2 . . . . 141 GLU HG2 . 6942 1 1402 . 1 1 141 141 GLU HG3 H 1 2.33 0.05 . 2 . . . . 141 GLU HG3 . 6942 1 1403 . 1 1 141 141 GLU C C 13 176.28 0.15 . 1 . . . . 141 GLU C . 6942 1 1404 . 1 1 141 141 GLU CA C 13 58.3 0.15 . 1 . . . . 141 GLU CA . 6942 1 1405 . 1 1 141 141 GLU CB C 13 29.48 0.15 . 1 . . . . 141 GLU CB . 6942 1 1406 . 1 1 141 141 GLU CG C 13 33.77 0.15 . 1 . . . . 141 GLU CG . 6942 1 1407 . 1 1 141 141 GLU N N 15 114.42 0.15 . 1 . . . . 141 GLU N . 6942 1 1408 . 1 1 142 142 GLU H H 1 7.99 0.05 . 1 . . . . 142 GLU H . 6942 1 1409 . 1 1 142 142 GLU HA H 1 4.55 0.05 . 1 . . . . 142 GLU HA . 6942 1 1410 . 1 1 142 142 GLU HB2 H 1 1.76 0.05 . 2 . . . . 142 GLU HB2 . 6942 1 1411 . 1 1 142 142 GLU HB3 H 1 1.84 0.05 . 2 . . . . 142 GLU HB3 . 6942 1 1412 . 1 1 142 142 GLU HG2 H 1 2.26 0.05 . 2 . . . . 142 GLU HG2 . 6942 1 1413 . 1 1 142 142 GLU HG3 H 1 2.27 0.05 . 2 . . . . 142 GLU HG3 . 6942 1 1414 . 1 1 142 142 GLU C C 13 175.98 0.15 . 1 . . . . 142 GLU C . 6942 1 1415 . 1 1 142 142 GLU CA C 13 54.77 0.15 . 1 . . . . 142 GLU CA . 6942 1 1416 . 1 1 142 142 GLU CB C 13 31.39 0.15 . 1 . . . . 142 GLU CB . 6942 1 1417 . 1 1 142 142 GLU CG C 13 36.92 0.15 . 1 . . . . 142 GLU CG . 6942 1 1418 . 1 1 142 142 GLU N N 15 115.54 0.15 . 1 . . . . 142 GLU N . 6942 1 1419 . 1 1 143 143 ASN H H 1 7.56 0.05 . 1 . . . . 143 ASN H . 6942 1 1420 . 1 1 143 143 ASN HA H 1 4.48 0.05 . 1 . . . . 143 ASN HA . 6942 1 1421 . 1 1 143 143 ASN HB2 H 1 2.91 0.05 . 2 . . . . 143 ASN HB2 . 6942 1 1422 . 1 1 143 143 ASN HB3 H 1 2.89 0.05 . 2 . . . . 143 ASN HB3 . 6942 1 1423 . 1 1 143 143 ASN C C 13 174.73 0.15 . 1 . . . . 143 ASN C . 6942 1 1424 . 1 1 143 143 ASN CA C 13 54.5 0.15 . 1 . . . . 143 ASN CA . 6942 1 1425 . 1 1 143 143 ASN CB C 13 37.37 0.15 . 1 . . . . 143 ASN CB . 6942 1 1426 . 1 1 143 143 ASN N N 15 118.49 0.15 . 1 . . . . 143 ASN N . 6942 1 1427 . 1 1 144 144 THR H H 1 7.39 0.05 . 1 . . . . 144 THR H . 6942 1 1428 . 1 1 144 144 THR HA H 1 4.59 0.05 . 1 . . . . 144 THR HA . 6942 1 1429 . 1 1 144 144 THR HB H 1 4.5 0.05 . 1 . . . . 144 THR HB . 6942 1 1430 . 1 1 144 144 THR HG21 H 1 1.27 0.05 . 1 . . . . 144 THR HG2 . 6942 1 1431 . 1 1 144 144 THR HG22 H 1 1.27 0.05 . 1 . . . . 144 THR HG2 . 6942 1 1432 . 1 1 144 144 THR HG23 H 1 1.27 0.05 . 1 . . . . 144 THR HG2 . 6942 1 1433 . 1 1 144 144 THR CA C 13 58.3 0.15 . 1 . . . . 144 THR CA . 6942 1 1434 . 1 1 144 144 THR CB C 13 70 0.15 . 1 . . . . 144 THR CB . 6942 1 1435 . 1 1 144 144 THR CG2 C 13 18.36 0.15 . 1 . . . . 144 THR CG2 . 6942 1 1436 . 1 1 144 144 THR N N 15 108.84 0.15 . 1 . . . . 144 THR N . 6942 1 1437 . 1 1 145 145 PRO C C 13 177.25 0.15 . 1 . . . . 145 PRO C . 6942 1 1438 . 1 1 145 145 PRO CA C 13 65.37 0.15 . 1 . . . . 145 PRO CA . 6942 1 1439 . 1 1 145 145 PRO CB C 13 32.2 0.15 . 1 . . . . 145 PRO CB . 6942 1 1440 . 1 1 146 146 GLU H H 1 8.79 0.05 . 1 . . . . 146 GLU H . 6942 1 1441 . 1 1 146 146 GLU HA H 1 3.69 0.05 . 1 . . . . 146 GLU HA . 6942 1 1442 . 1 1 146 146 GLU HB2 H 1 2.19 0.05 . 2 . . . . 146 GLU HB2 . 6942 1 1443 . 1 1 146 146 GLU HB3 H 1 2.2 0.05 . 2 . . . . 146 GLU HB3 . 6942 1 1444 . 1 1 146 146 GLU HG2 H 1 2.34 0.05 . 1 . . . . 146 GLU HG2 . 6942 1 1445 . 1 1 146 146 GLU HG3 H 1 2.34 0.05 . 1 . . . . 146 GLU HG3 . 6942 1 1446 . 1 1 146 146 GLU C C 13 178.09 0.15 . 1 . . . . 146 GLU C . 6942 1 1447 . 1 1 146 146 GLU CA C 13 60.75 0.15 . 1 . . . . 146 GLU CA . 6942 1 1448 . 1 1 146 146 GLU CB C 13 29.21 0.15 . 1 . . . . 146 GLU CB . 6942 1 1449 . 1 1 146 146 GLU CG C 13 35.83 0.15 . 1 . . . . 146 GLU CG . 6942 1 1450 . 1 1 146 146 GLU N N 15 116.13 0.15 . 1 . . . . 146 GLU N . 6942 1 1451 . 1 1 147 147 LYS H H 1 7.59 0.05 . 1 . . . . 147 LYS H . 6942 1 1452 . 1 1 147 147 LYS HA H 1 4.14 0.05 . 1 . . . . 147 LYS HA . 6942 1 1453 . 1 1 147 147 LYS HB2 H 1 1.92 0.05 . 2 . . . . 147 LYS HB2 . 6942 1 1454 . 1 1 147 147 LYS HB3 H 1 1.9 0.05 . 2 . . . . 147 LYS HB3 . 6942 1 1455 . 1 1 147 147 LYS HG2 H 1 1.49 0.05 . 2 . . . . 147 LYS HG2 . 6942 1 1456 . 1 1 147 147 LYS HG3 H 1 1.5 0.05 . 2 . . . . 147 LYS HG3 . 6942 1 1457 . 1 1 147 147 LYS HD2 H 1 1.72 0.05 . 1 . . . . 147 LYS HD2 . 6942 1 1458 . 1 1 147 147 LYS HD3 H 1 1.72 0.05 . 1 . . . . 147 LYS HD3 . 6942 1 1459 . 1 1 147 147 LYS HE2 H 1 2.93 0.05 . 1 . . . . 147 LYS HE2 . 6942 1 1460 . 1 1 147 147 LYS HE3 H 1 2.93 0.05 . 1 . . . . 147 LYS HE3 . 6942 1 1461 . 1 1 147 147 LYS C C 13 179.91 0.15 . 1 . . . . 147 LYS C . 6942 1 1462 . 1 1 147 147 LYS CA C 13 54.5 0.15 . 1 . . . . 147 LYS CA . 6942 1 1463 . 1 1 147 147 LYS CB C 13 33.56 0.15 . 1 . . . . 147 LYS CB . 6942 1 1464 . 1 1 147 147 LYS CG C 13 24.07 0.15 . 1 . . . . 147 LYS CG . 6942 1 1465 . 1 1 147 147 LYS CD C 13 29.2 0.15 . 1 . . . . 147 LYS CD . 6942 1 1466 . 1 1 147 147 LYS N N 15 117.92 0.15 . 1 . . . . 147 LYS N . 6942 1 1467 . 1 1 148 148 ARG H H 1 7.84 0.05 . 1 . . . . 148 ARG H . 6942 1 1468 . 1 1 148 148 ARG HA H 1 4.08 0.05 . 1 . . . . 148 ARG HA . 6942 1 1469 . 1 1 148 148 ARG HB2 H 1 2.09 0.05 . 2 . . . . 148 ARG HB2 . 6942 1 1470 . 1 1 148 148 ARG HB3 H 1 2.07 0.05 . 2 . . . . 148 ARG HB3 . 6942 1 1471 . 1 1 148 148 ARG HG2 H 1 1.71 0.05 . 2 . . . . 148 ARG HG2 . 6942 1 1472 . 1 1 148 148 ARG HG3 H 1 1.72 0.05 . 2 . . . . 148 ARG HG3 . 6942 1 1473 . 1 1 148 148 ARG HD2 H 1 3.13 0.05 . 1 . . . . 148 ARG HD2 . 6942 1 1474 . 1 1 148 148 ARG HD3 H 1 3.13 0.05 . 1 . . . . 148 ARG HD3 . 6942 1 1475 . 1 1 148 148 ARG C C 13 177.74 0.15 . 1 . . . . 148 ARG C . 6942 1 1476 . 1 1 148 148 ARG CA C 13 59.12 0.15 . 1 . . . . 148 ARG CA . 6942 1 1477 . 1 1 148 148 ARG CB C 13 29.75 0.15 . 1 . . . . 148 ARG CB . 6942 1 1478 . 1 1 148 148 ARG CG C 13 24.87 0.15 . 1 . . . . 148 ARG CG . 6942 1 1479 . 1 1 148 148 ARG CD C 13 43.09 0.15 . 1 . . . . 148 ARG CD . 6942 1 1480 . 1 1 148 148 ARG N N 15 119.1 0.15 . 1 . . . . 148 ARG N . 6942 1 1481 . 1 1 149 149 VAL H H 1 8.63 0.05 . 1 . . . . 149 VAL H . 6942 1 1482 . 1 1 149 149 VAL HA H 1 3.65 0.05 . 1 . . . . 149 VAL HA . 6942 1 1483 . 1 1 149 149 VAL HB H 1 2.09 0.05 . 1 . . . . 149 VAL HB . 6942 1 1484 . 1 1 149 149 VAL HG11 H 1 0.79 0.05 . 2 . . . . 149 VAL HG1 . 6942 1 1485 . 1 1 149 149 VAL HG12 H 1 0.79 0.05 . 2 . . . . 149 VAL HG1 . 6942 1 1486 . 1 1 149 149 VAL HG13 H 1 0.79 0.05 . 2 . . . . 149 VAL HG1 . 6942 1 1487 . 1 1 149 149 VAL HG21 H 1 0.98 0.05 . 2 . . . . 149 VAL HG2 . 6942 1 1488 . 1 1 149 149 VAL HG22 H 1 0.98 0.05 . 2 . . . . 149 VAL HG2 . 6942 1 1489 . 1 1 149 149 VAL HG23 H 1 0.98 0.05 . 2 . . . . 149 VAL HG2 . 6942 1 1490 . 1 1 149 149 VAL C C 13 179.96 0.15 . 1 . . . . 149 VAL C . 6942 1 1491 . 1 1 149 149 VAL CA C 13 67.28 0.15 . 1 . . . . 149 VAL CA . 6942 1 1492 . 1 1 149 149 VAL CB C 13 31.66 0.15 . 1 . . . . 149 VAL CB . 6942 1 1493 . 1 1 149 149 VAL CG1 C 13 20.4 0.15 . 2 . . . . 149 VAL CG1 . 6942 1 1494 . 1 1 149 149 VAL CG2 C 13 21.29 0.15 . 2 . . . . 149 VAL CG2 . 6942 1 1495 . 1 1 149 149 VAL N N 15 118.5 0.15 . 1 . . . . 149 VAL N . 6942 1 1496 . 1 1 150 150 ASP H H 1 8.46 0.05 . 1 . . . . 150 ASP H . 6942 1 1497 . 1 1 150 150 ASP HA H 1 4.49 0.05 . 1 . . . . 150 ASP HA . 6942 1 1498 . 1 1 150 150 ASP HB2 H 1 2.83 0.05 . 2 . . . . 150 ASP HB2 . 6942 1 1499 . 1 1 150 150 ASP HB3 H 1 2.66 0.05 . 2 . . . . 150 ASP HB3 . 6942 1 1500 . 1 1 150 150 ASP CA C 13 58.03 0.15 . 1 . . . . 150 ASP CA . 6942 1 1501 . 1 1 150 150 ASP CB C 13 40.36 0.15 . 1 . . . . 150 ASP CB . 6942 1 1502 . 1 1 150 150 ASP N N 15 119.94 0.15 . 1 . . . . 150 ASP N . 6942 1 1503 . 1 1 151 151 ARG H H 1 7.8 0.15 . 1 . . . . 151 ARG H . 6942 1 1504 . 1 1 151 151 ARG C C 13 178.93 0.15 . 1 . . . . 151 ARG C . 6942 1 1505 . 1 1 151 151 ARG CA C 13 59.66 0.15 . 1 . . . . 151 ARG CA . 6942 1 1506 . 1 1 151 151 ARG CB C 13 30.03 0.15 . 1 . . . . 151 ARG CB . 6942 1 1507 . 1 1 152 152 ILE H H 1 8.43 0.05 . 1 . . . . 152 ILE H . 6942 1 1508 . 1 1 152 152 ILE HA H 1 3.73 0.05 . 1 . . . . 152 ILE HA . 6942 1 1509 . 1 1 152 152 ILE HB H 1 1.8 0.05 . 1 . . . . 152 ILE HB . 6942 1 1510 . 1 1 152 152 ILE HG12 H 1 1.13 0.05 . 2 . . . . 152 ILE HG12 . 6942 1 1511 . 1 1 152 152 ILE HD11 H 1 0.77 0.05 . 1 . . . . 152 ILE HD1 . 6942 1 1512 . 1 1 152 152 ILE HD12 H 1 0.77 0.05 . 1 . . . . 152 ILE HD1 . 6942 1 1513 . 1 1 152 152 ILE HD13 H 1 0.77 0.05 . 1 . . . . 152 ILE HD1 . 6942 1 1514 . 1 1 152 152 ILE C C 13 178.63 0.15 . 1 . . . . 152 ILE C . 6942 1 1515 . 1 1 152 152 ILE CA C 13 65.37 0.15 . 1 . . . . 152 ILE CA . 6942 1 1516 . 1 1 152 152 ILE CB C 13 38.18 0.15 . 1 . . . . 152 ILE CB . 6942 1 1517 . 1 1 152 152 ILE N N 15 120.48 0.15 . 1 . . . . 152 ILE N . 6942 1 1518 . 1 1 153 153 PHE H H 1 9.2 0.05 . 1 . . . . 153 PHE H . 6942 1 1519 . 1 1 153 153 PHE HA H 1 4.49 0.05 . 1 . . . . 153 PHE HA . 6942 1 1520 . 1 1 153 153 PHE HB2 H 1 3.27 0.05 . 2 . . . . 153 PHE HB2 . 6942 1 1521 . 1 1 153 153 PHE HB3 H 1 3.11 0.05 . 2 . . . . 153 PHE HB3 . 6942 1 1522 . 1 1 153 153 PHE C C 13 178.32 0.15 . 1 . . . . 153 PHE C . 6942 1 1523 . 1 1 153 153 PHE CA C 13 63.74 0.15 . 1 . . . . 153 PHE CA . 6942 1 1524 . 1 1 153 153 PHE CB C 13 38.45 0.15 . 1 . . . . 153 PHE CB . 6942 1 1525 . 1 1 153 153 PHE N N 15 120.18 0.15 . 1 . . . . 153 PHE N . 6942 1 1526 . 1 1 154 154 ALA H H 1 8.14 0.05 . 1 . . . . 154 ALA H . 6942 1 1527 . 1 1 154 154 ALA HA H 1 4.17 0.05 . 1 . . . . 154 ALA HA . 6942 1 1528 . 1 1 154 154 ALA HB1 H 1 1.56 0.05 . 1 . . . . 154 ALA HB . 6942 1 1529 . 1 1 154 154 ALA HB2 H 1 1.56 0.05 . 1 . . . . 154 ALA HB . 6942 1 1530 . 1 1 154 154 ALA HB3 H 1 1.56 0.05 . 1 . . . . 154 ALA HB . 6942 1 1531 . 1 1 154 154 ALA C C 13 179.9 0.15 . 1 . . . . 154 ALA C . 6942 1 1532 . 1 1 154 154 ALA CA C 13 55.31 0.15 . 1 . . . . 154 ALA CA . 6942 1 1533 . 1 1 154 154 ALA CB C 13 18.33 0.15 . 1 . . . . 154 ALA CB . 6942 1 1534 . 1 1 154 154 ALA N N 15 120.65 0.15 . 1 . . . . 154 ALA N . 6942 1 1535 . 1 1 155 155 MET H H 1 7.6 0.05 . 1 . . . . 155 MET H . 6942 1 1536 . 1 1 155 155 MET HA H 1 4.31 0.05 . 1 . . . . 155 MET HA . 6942 1 1537 . 1 1 155 155 MET HB2 H 1 2.19 0.05 . 2 . . . . 155 MET HB2 . 6942 1 1538 . 1 1 155 155 MET HB3 H 1 2.09 0.05 . 2 . . . . 155 MET HB3 . 6942 1 1539 . 1 1 155 155 MET HG2 H 1 2.37 0.05 . 2 . . . . 155 MET HG2 . 6942 1 1540 . 1 1 155 155 MET HG3 H 1 2.38 0.05 . 2 . . . . 155 MET HG3 . 6942 1 1541 . 1 1 155 155 MET C C 13 177.91 0.15 . 1 . . . . 155 MET C . 6942 1 1542 . 1 1 155 155 MET CA C 13 57.49 0.15 . 1 . . . . 155 MET CA . 6942 1 1543 . 1 1 155 155 MET CB C 13 34.1 0.15 . 1 . . . . 155 MET CB . 6942 1 1544 . 1 1 155 155 MET CG C 13 28.11 0.15 . 1 . . . . 155 MET CG . 6942 1 1545 . 1 1 155 155 MET N N 15 113.91 0.15 . 1 . . . . 155 MET N . 6942 1 1546 . 1 1 156 156 MET H H 1 8.33 0.05 . 1 . . . . 156 MET H . 6942 1 1547 . 1 1 156 156 MET HA H 1 4.5 0.05 . 1 . . . . 156 MET HA . 6942 1 1548 . 1 1 156 156 MET HB2 H 1 1.83 0.05 . 2 . . . . 156 MET HB2 . 6942 1 1549 . 1 1 156 156 MET HB3 H 1 1.76 0.05 . 2 . . . . 156 MET HB3 . 6942 1 1550 . 1 1 156 156 MET HG2 H 1 2.22 0.05 . 1 . . . . 156 MET HG2 . 6942 1 1551 . 1 1 156 156 MET HG3 H 1 2.22 0.05 . 1 . . . . 156 MET HG3 . 6942 1 1552 . 1 1 156 156 MET C C 13 176.96 0.15 . 1 . . . . 156 MET C . 6942 1 1553 . 1 1 156 156 MET CA C 13 57.49 0.15 . 1 . . . . 156 MET CA . 6942 1 1554 . 1 1 156 156 MET CB C 13 34.65 0.15 . 1 . . . . 156 MET CB . 6942 1 1555 . 1 1 156 156 MET N N 15 113.46 0.15 . 1 . . . . 156 MET N . 6942 1 1556 . 1 1 157 157 ASP H H 1 8.46 0.05 . 1 . . . . 157 ASP H . 6942 1 1557 . 1 1 157 157 ASP HA H 1 4.62 0.05 . 1 . . . . 157 ASP HA . 6942 1 1558 . 1 1 157 157 ASP HB2 H 1 2.27 0.05 . 2 . . . . 157 ASP HB2 . 6942 1 1559 . 1 1 157 157 ASP HB3 H 1 3.28 0.05 . 2 . . . . 157 ASP HB3 . 6942 1 1560 . 1 1 157 157 ASP C C 13 177.6 0.15 . 1 . . . . 157 ASP C . 6942 1 1561 . 1 1 157 157 ASP CA C 13 53.14 0.15 . 1 . . . . 157 ASP CA . 6942 1 1562 . 1 1 157 157 ASP CB C 13 39.27 0.15 . 1 . . . . 157 ASP CB . 6942 1 1563 . 1 1 157 157 ASP N N 15 118.89 0.15 . 1 . . . . 157 ASP N . 6942 1 1564 . 1 1 158 158 LYS H H 1 7.85 0.05 . 1 . . . . 158 LYS H . 6942 1 1565 . 1 1 158 158 LYS HA H 1 4.06 0.05 . 1 . . . . 158 LYS HA . 6942 1 1566 . 1 1 158 158 LYS HB2 H 1 1.93 0.05 . 2 . . . . 158 LYS HB2 . 6942 1 1567 . 1 1 158 158 LYS HB3 H 1 1.94 0.05 . 2 . . . . 158 LYS HB3 . 6942 1 1568 . 1 1 158 158 LYS HG2 H 1 1.49 0.05 . 2 . . . . 158 LYS HG2 . 6942 1 1569 . 1 1 158 158 LYS HG3 H 1 1.7 0.05 . 2 . . . . 158 LYS HG3 . 6942 1 1570 . 1 1 158 158 LYS C C 13 177.31 0.15 . 1 . . . . 158 LYS C . 6942 1 1571 . 1 1 158 158 LYS CA C 13 58.58 0.15 . 1 . . . . 158 LYS CA . 6942 1 1572 . 1 1 158 158 LYS CB C 13 32.74 0.15 . 1 . . . . 158 LYS CB . 6942 1 1573 . 1 1 158 158 LYS CG C 13 23.92 0.15 . 1 . . . . 158 LYS CG . 6942 1 1574 . 1 1 158 158 LYS N N 15 127.06 0.15 . 1 . . . . 158 LYS N . 6942 1 1575 . 1 1 159 159 ASN H H 1 7.96 0.05 . 1 . . . . 159 ASN H . 6942 1 1576 . 1 1 159 159 ASN HA H 1 4.84 0.05 . 1 . . . . 159 ASN HA . 6942 1 1577 . 1 1 159 159 ASN HB2 H 1 3.28 0.05 . 2 . . . . 159 ASN HB2 . 6942 1 1578 . 1 1 159 159 ASN HB3 H 1 2.76 0.05 . 2 . . . . 159 ASN HB3 . 6942 1 1579 . 1 1 159 159 ASN C C 13 174.17 0.15 . 1 . . . . 159 ASN C . 6942 1 1580 . 1 1 159 159 ASN CA C 13 51.78 0.15 . 1 . . . . 159 ASN CA . 6942 1 1581 . 1 1 159 159 ASN CB C 13 36.82 0.15 . 1 . . . . 159 ASN CB . 6942 1 1582 . 1 1 159 159 ASN N N 15 113.06 0.15 . 1 . . . . 159 ASN N . 6942 1 1583 . 1 1 160 160 ALA H H 1 7.81 0.05 . 1 . . . . 160 ALA H . 6942 1 1584 . 1 1 160 160 ALA HA H 1 4.03 0.05 . 1 . . . . 160 ALA HA . 6942 1 1585 . 1 1 160 160 ALA HB1 H 1 1.38 0.05 . 1 . . . . 160 ALA HB . 6942 1 1586 . 1 1 160 160 ALA HB2 H 1 1.38 0.05 . 1 . . . . 160 ALA HB . 6942 1 1587 . 1 1 160 160 ALA HB3 H 1 1.38 0.05 . 1 . . . . 160 ALA HB . 6942 1 1588 . 1 1 160 160 ALA C C 13 176.03 0.15 . 1 . . . . 160 ALA C . 6942 1 1589 . 1 1 160 160 ALA CA C 13 53.41 0.15 . 1 . . . . 160 ALA CA . 6942 1 1590 . 1 1 160 160 ALA CB C 13 16.97 0.15 . 1 . . . . 160 ALA CB . 6942 1 1591 . 1 1 160 160 ALA N N 15 120.28 0.15 . 1 . . . . 160 ALA N . 6942 1 1592 . 1 1 161 161 ASP H H 1 8.28 0.05 . 1 . . . . 161 ASP H . 6942 1 1593 . 1 1 161 161 ASP HA H 1 5.46 0.05 . 1 . . . . 161 ASP HA . 6942 1 1594 . 1 1 161 161 ASP HB2 H 1 2.41 0.05 . 2 . . . . 161 ASP HB2 . 6942 1 1595 . 1 1 161 161 ASP HB3 H 1 2.99 0.05 . 2 . . . . 161 ASP HB3 . 6942 1 1596 . 1 1 161 161 ASP C C 13 177.42 0.15 . 1 . . . . 161 ASP C . 6942 1 1597 . 1 1 161 161 ASP CA C 13 53.14 0.15 . 1 . . . . 161 ASP CA . 6942 1 1598 . 1 1 161 161 ASP CB C 13 40.9 0.15 . 1 . . . . 161 ASP CB . 6942 1 1599 . 1 1 161 161 ASP N N 15 116.59 0.15 . 1 . . . . 161 ASP N . 6942 1 1600 . 1 1 162 162 GLY H H 1 10.53 0.05 . 1 . . . . 162 GLY H . 6942 1 1601 . 1 1 162 162 GLY HA2 H 1 4.12 0.05 . 1 . . . . 162 GLY HA2 . 6942 1 1602 . 1 1 162 162 GLY HA3 H 1 4.12 0.05 . 1 . . . . 162 GLY HA3 . 6942 1 1603 . 1 1 162 162 GLY C C 13 173.43 0.15 . 1 . . . . 162 GLY C . 6942 1 1604 . 1 1 162 162 GLY CA C 13 46.07 0.15 . 1 . . . . 162 GLY CA . 6942 1 1605 . 1 1 162 162 GLY N N 15 112.52 0.15 . 1 . . . . 162 GLY N . 6942 1 1606 . 1 1 163 163 LYS H H 1 8.1 0.05 . 1 . . . . 163 LYS H . 6942 1 1607 . 1 1 163 163 LYS HA H 1 5.35 0.05 . 1 . . . . 163 LYS HA . 6942 1 1608 . 1 1 163 163 LYS HB2 H 1 1.54 0.05 . 2 . . . . 163 LYS HB2 . 6942 1 1609 . 1 1 163 163 LYS HB3 H 1 1.55 0.05 . 2 . . . . 163 LYS HB3 . 6942 1 1610 . 1 1 163 163 LYS HG2 H 1 1.05 0.05 . 2 . . . . 163 LYS HG2 . 6942 1 1611 . 1 1 163 163 LYS HG3 H 1 1.04 0.05 . 2 . . . . 163 LYS HG3 . 6942 1 1612 . 1 1 163 163 LYS C C 13 174.82 0.15 . 1 . . . . 163 LYS C . 6942 1 1613 . 1 1 163 163 LYS CA C 13 54.23 0.15 . 1 . . . . 163 LYS CA . 6942 1 1614 . 1 1 163 163 LYS CB C 13 36.82 0.15 . 1 . . . . 163 LYS CB . 6942 1 1615 . 1 1 163 163 LYS CG C 13 23.78 0.15 . 1 . . . . 163 LYS CG . 6942 1 1616 . 1 1 163 163 LYS N N 15 117.49 0.15 . 1 . . . . 163 LYS N . 6942 1 1617 . 1 1 164 164 LEU H H 1 9.92 0.05 . 1 . . . . 164 LEU H . 6942 1 1618 . 1 1 164 164 LEU HA H 1 5.02 0.05 . 1 . . . . 164 LEU HA . 6942 1 1619 . 1 1 164 164 LEU HB2 H 1 1.6 0.05 . 2 . . . . 164 LEU HB2 . 6942 1 1620 . 1 1 164 164 LEU HB3 H 1 1.61 0.05 . 2 . . . . 164 LEU HB3 . 6942 1 1621 . 1 1 164 164 LEU HG H 1 1.33 0.05 . 1 . . . . 164 LEU HG . 6942 1 1622 . 1 1 164 164 LEU C C 13 178.09 0.15 . 1 . . . . 164 LEU C . 6942 1 1623 . 1 1 164 164 LEU CA C 13 52.87 0.15 . 1 . . . . 164 LEU CA . 6942 1 1624 . 1 1 164 164 LEU CB C 13 43.35 0.15 . 1 . . . . 164 LEU CB . 6942 1 1625 . 1 1 164 164 LEU N N 15 124.08 0.15 . 1 . . . . 164 LEU N . 6942 1 1626 . 1 1 165 165 THR H H 1 8.83 0.05 . 1 . . . . 165 THR H . 6942 1 1627 . 1 1 165 165 THR HA H 1 5.8 0.05 . 1 . . . . 165 THR HA . 6942 1 1628 . 1 1 165 165 THR HB H 1 4.36 0.05 . 1 . . . . 165 THR HB . 6942 1 1629 . 1 1 165 165 THR HG21 H 1 1.52 0.05 . 1 . . . . 165 THR HG2 . 6942 1 1630 . 1 1 165 165 THR HG22 H 1 1.52 0.05 . 1 . . . . 165 THR HG2 . 6942 1 1631 . 1 1 165 165 THR HG23 H 1 1.52 0.05 . 1 . . . . 165 THR HG2 . 6942 1 1632 . 1 1 165 165 THR C C 13 175.47 0.15 . 1 . . . . 165 THR C . 6942 1 1633 . 1 1 165 165 THR CA C 13 59.94 0.15 . 1 . . . . 165 THR CA . 6942 1 1634 . 1 1 165 165 THR CB C 13 71.63 0.15 . 1 . . . . 165 THR CB . 6942 1 1635 . 1 1 165 165 THR CG2 C 13 23.16 0.15 . 1 . . . . 165 THR CG2 . 6942 1 1636 . 1 1 165 165 THR N N 15 113.55 0.15 . 1 . . . . 165 THR N . 6942 1 1637 . 1 1 166 166 LEU H H 1 8.96 0.05 . 1 . . . . 166 LEU H . 6942 1 1638 . 1 1 166 166 LEU HA H 1 3.45 0.05 . 1 . . . . 166 LEU HA . 6942 1 1639 . 1 1 166 166 LEU HB2 H 1 1.52 0.05 . 2 . . . . 166 LEU HB2 . 6942 1 1640 . 1 1 166 166 LEU HB3 H 1 1.53 0.05 . 2 . . . . 166 LEU HB3 . 6942 1 1641 . 1 1 166 166 LEU HG H 1 1.26 0.05 . 1 . . . . 166 LEU HG . 6942 1 1642 . 1 1 166 166 LEU HD11 H 1 0.37 0.05 . 2 . . . . 166 LEU HD1 . 6942 1 1643 . 1 1 166 166 LEU HD12 H 1 0.37 0.05 . 2 . . . . 166 LEU HD1 . 6942 1 1644 . 1 1 166 166 LEU HD13 H 1 0.37 0.05 . 2 . . . . 166 LEU HD1 . 6942 1 1645 . 1 1 166 166 LEU HD21 H 1 0.59 0.05 . 2 . . . . 166 LEU HD2 . 6942 1 1646 . 1 1 166 166 LEU HD22 H 1 0.59 0.05 . 2 . . . . 166 LEU HD2 . 6942 1 1647 . 1 1 166 166 LEU HD23 H 1 0.59 0.05 . 2 . . . . 166 LEU HD2 . 6942 1 1648 . 1 1 166 166 LEU C C 13 178.27 0.15 . 1 . . . . 166 LEU C . 6942 1 1649 . 1 1 166 166 LEU CA C 13 58.58 0.15 . 1 . . . . 166 LEU CA . 6942 1 1650 . 1 1 166 166 LEU CB C 13 40.36 0.15 . 1 . . . . 166 LEU CB . 6942 1 1651 . 1 1 166 166 LEU CG C 13 29.24 0.15 . 1 . . . . 166 LEU CG . 6942 1 1652 . 1 1 166 166 LEU CD1 C 13 23.56 0.15 . 2 . . . . 166 LEU CD1 . 6942 1 1653 . 1 1 166 166 LEU CD2 C 13 24.73 0.15 . 2 . . . . 166 LEU CD2 . 6942 1 1654 . 1 1 166 166 LEU N N 15 123.3 0.15 . 1 . . . . 166 LEU N . 6942 1 1655 . 1 1 167 167 GLN H H 1 8.14 0.05 . 1 . . . . 167 GLN H . 6942 1 1656 . 1 1 167 167 GLN HA H 1 4.13 0.05 . 1 . . . . 167 GLN HA . 6942 1 1657 . 1 1 167 167 GLN HB2 H 1 2.09 0.05 . 2 . . . . 167 GLN HB2 . 6942 1 1658 . 1 1 167 167 GLN HB3 H 1 1.95 0.05 . 2 . . . . 167 GLN HB3 . 6942 1 1659 . 1 1 167 167 GLN HG2 H 1 2.4 0.05 . 2 . . . . 167 GLN HG2 . 6942 1 1660 . 1 1 167 167 GLN HG3 H 1 2.14 0.05 . 2 . . . . 167 GLN HG3 . 6942 1 1661 . 1 1 167 167 GLN C C 13 179.1 0.15 . 1 . . . . 167 GLN C . 6942 1 1662 . 1 1 167 167 GLN CA C 13 54.23 0.15 . 1 . . . . 167 GLN CA . 6942 1 1663 . 1 1 167 167 GLN CB C 13 28.12 0.15 . 1 . . . . 167 GLN CB . 6942 1 1664 . 1 1 167 167 GLN CG C 13 33.78 0.15 . 1 . . . . 167 GLN CG . 6942 1 1665 . 1 1 167 167 GLN N N 15 117.5 0.15 . 1 . . . . 167 GLN N . 6942 1 1666 . 1 1 168 168 GLU H H 1 8 0.05 . 1 . . . . 168 GLU H . 6942 1 1667 . 1 1 168 168 GLU HA H 1 4.17 0.05 . 1 . . . . 168 GLU HA . 6942 1 1668 . 1 1 168 168 GLU HB2 H 1 1.95 0.05 . 2 . . . . 168 GLU HB2 . 6942 1 1669 . 1 1 168 168 GLU HB3 H 1 1.93 0.05 . 2 . . . . 168 GLU HB3 . 6942 1 1670 . 1 1 168 168 GLU HG2 H 1 2.28 0.05 . 2 . . . . 168 GLU HG2 . 6942 1 1671 . 1 1 168 168 GLU HG3 H 1 2.29 0.05 . 2 . . . . 168 GLU HG3 . 6942 1 1672 . 1 1 168 168 GLU C C 13 180.49 0.15 . 1 . . . . 168 GLU C . 6942 1 1673 . 1 1 168 168 GLU CA C 13 58.85 0.15 . 1 . . . . 168 GLU CA . 6942 1 1674 . 1 1 168 168 GLU CB C 13 30.3 0.15 . 1 . . . . 168 GLU CB . 6942 1 1675 . 1 1 168 168 GLU CG C 13 36.2 0.15 . 1 . . . . 168 GLU CG . 6942 1 1676 . 1 1 168 168 GLU N N 15 119 0.15 . 1 . . . . 168 GLU N . 6942 1 1677 . 1 1 169 169 PHE H H 1 8.96 0.05 . 1 . . . . 169 PHE H . 6942 1 1678 . 1 1 169 169 PHE HA H 1 4.15 0.05 . 1 . . . . 169 PHE HA . 6942 1 1679 . 1 1 169 169 PHE HB2 H 1 3.13 0.05 . 2 . . . . 169 PHE HB2 . 6942 1 1680 . 1 1 169 169 PHE HB3 H 1 3.43 0.05 . 2 . . . . 169 PHE HB3 . 6942 1 1681 . 1 1 169 169 PHE C C 13 177.62 0.15 . 1 . . . . 169 PHE C . 6942 1 1682 . 1 1 169 169 PHE CA C 13 61.02 0.15 . 1 . . . . 169 PHE CA . 6942 1 1683 . 1 1 169 169 PHE CB C 13 41.17 0.15 . 1 . . . . 169 PHE CB . 6942 1 1684 . 1 1 169 169 PHE N N 15 122.58 0.15 . 1 . . . . 169 PHE N . 6942 1 1685 . 1 1 170 170 GLN H H 1 9.49 0.05 . 1 . . . . 170 GLN H . 6942 1 1686 . 1 1 170 170 GLN HA H 1 3.84 0.05 . 1 . . . . 170 GLN HA . 6942 1 1687 . 1 1 170 170 GLN HB2 H 1 2.06 0.05 . 2 . . . . 170 GLN HB2 . 6942 1 1688 . 1 1 170 170 GLN HB3 H 1 2.08 0.05 . 2 . . . . 170 GLN HB3 . 6942 1 1689 . 1 1 170 170 GLN HG2 H 1 2.33 0.05 . 2 . . . . 170 GLN HG2 . 6942 1 1690 . 1 1 170 170 GLN HG3 H 1 2.32 0.05 . 2 . . . . 170 GLN HG3 . 6942 1 1691 . 1 1 170 170 GLN C C 13 178.91 0.15 . 1 . . . . 170 GLN C . 6942 1 1692 . 1 1 170 170 GLN CA C 13 59.66 0.15 . 1 . . . . 170 GLN CA . 6942 1 1693 . 1 1 170 170 GLN CB C 13 28.94 0.15 . 1 . . . . 170 GLN CB . 6942 1 1694 . 1 1 170 170 GLN CG C 13 33.68 0.15 . 1 . . . . 170 GLN CG . 6942 1 1695 . 1 1 170 170 GLN N N 15 119.8 0.15 . 1 . . . . 170 GLN N . 6942 1 1696 . 1 1 171 171 GLU H H 1 8.31 0.05 . 1 . . . . 171 GLU H . 6942 1 1697 . 1 1 171 171 GLU HA H 1 3.99 0.05 . 1 . . . . 171 GLU HA . 6942 1 1698 . 1 1 171 171 GLU HB2 H 1 2.05 0.05 . 2 . . . . 171 GLU HB2 . 6942 1 1699 . 1 1 171 171 GLU HB3 H 1 2.06 0.05 . 2 . . . . 171 GLU HB3 . 6942 1 1700 . 1 1 171 171 GLU HG2 H 1 2.32 0.05 . 2 . . . . 171 GLU HG2 . 6942 1 1701 . 1 1 171 171 GLU HG3 H 1 2.34 0.05 . 2 . . . . 171 GLU HG3 . 6942 1 1702 . 1 1 171 171 GLU C C 13 180.13 0.15 . 1 . . . . 171 GLU C . 6942 1 1703 . 1 1 171 171 GLU CA C 13 59.39 0.15 . 1 . . . . 171 GLU CA . 6942 1 1704 . 1 1 171 171 GLU CB C 13 29.75 0.15 . 1 . . . . 171 GLU CB . 6942 1 1705 . 1 1 171 171 GLU CG C 13 36.08 0.15 . 1 . . . . 171 GLU CG . 6942 1 1706 . 1 1 171 171 GLU N N 15 118.61 0.15 . 1 . . . . 171 GLU N . 6942 1 1707 . 1 1 172 172 GLY H H 1 8.43 0.05 . 1 . . . . 172 GLY H . 6942 1 1708 . 1 1 172 172 GLY HA2 H 1 4.03 0.05 . 1 . . . . 172 GLY HA2 . 6942 1 1709 . 1 1 172 172 GLY HA3 H 1 4.03 0.05 . 1 . . . . 172 GLY HA3 . 6942 1 1710 . 1 1 172 172 GLY C C 13 175.25 0.15 . 1 . . . . 172 GLY C . 6942 1 1711 . 1 1 172 172 GLY CA C 13 46.61 0.15 . 1 . . . . 172 GLY CA . 6942 1 1712 . 1 1 172 172 GLY N N 15 107.37 0.15 . 1 . . . . 172 GLY N . 6942 1 1713 . 1 1 173 173 SER H H 1 7.93 0.05 . 1 . . . . 173 SER H . 6942 1 1714 . 1 1 173 173 SER HA H 1 4.34 0.05 . 1 . . . . 173 SER HA . 6942 1 1715 . 1 1 173 173 SER HB2 H 1 4.03 0.05 . 2 . . . . 173 SER HB2 . 6942 1 1716 . 1 1 173 173 SER HB3 H 1 3.99 0.05 . 2 . . . . 173 SER HB3 . 6942 1 1717 . 1 1 173 173 SER C C 13 174.93 0.15 . 1 . . . . 173 SER C . 6942 1 1718 . 1 1 173 173 SER CA C 13 61.3 0.15 . 1 . . . . 173 SER CA . 6942 1 1719 . 1 1 173 173 SER CB C 13 62.93 0.15 . 1 . . . . 173 SER CB . 6942 1 1720 . 1 1 173 173 SER N N 15 116.75 0.15 . 1 . . . . 173 SER N . 6942 1 1721 . 1 1 174 174 LYS H H 1 7.2 0.05 . 1 . . . . 174 LYS H . 6942 1 1722 . 1 1 174 174 LYS HA H 1 4.01 0.05 . 1 . . . . 174 LYS HA . 6942 1 1723 . 1 1 174 174 LYS HB2 H 1 1.83 0.05 . 2 . . . . 174 LYS HB2 . 6942 1 1724 . 1 1 174 174 LYS HB3 H 1 1.81 0.05 . 2 . . . . 174 LYS HB3 . 6942 1 1725 . 1 1 174 174 LYS HG2 H 1 1.42 0.05 . 2 . . . . 174 LYS HG2 . 6942 1 1726 . 1 1 174 174 LYS HG3 H 1 1.43 0.05 . 2 . . . . 174 LYS HG3 . 6942 1 1727 . 1 1 174 174 LYS C C 13 177.58 0.15 . 1 . . . . 174 LYS C . 6942 1 1728 . 1 1 174 174 LYS CA C 13 58.58 0.15 . 1 . . . . 174 LYS CA . 6942 1 1729 . 1 1 174 174 LYS CB C 13 32.47 0.15 . 1 . . . . 174 LYS CB . 6942 1 1730 . 1 1 174 174 LYS CG C 13 23.84 0.15 . 1 . . . . 174 LYS CG . 6942 1 1731 . 1 1 174 174 LYS N N 15 119.25 0.15 . 1 . . . . 174 LYS N . 6942 1 1732 . 1 1 175 175 ALA H H 1 7.3 0.05 . 1 . . . . 175 ALA H . 6942 1 1733 . 1 1 175 175 ALA HA H 1 4.32 0.05 . 1 . . . . 175 ALA HA . 6942 1 1734 . 1 1 175 175 ALA HB1 H 1 1.49 0.05 . 1 . . . . 175 ALA HB . 6942 1 1735 . 1 1 175 175 ALA HB2 H 1 1.49 0.05 . 1 . . . . 175 ALA HB . 6942 1 1736 . 1 1 175 175 ALA HB3 H 1 1.49 0.05 . 1 . . . . 175 ALA HB . 6942 1 1737 . 1 1 175 175 ALA C C 13 177.82 0.15 . 1 . . . . 175 ALA C . 6942 1 1738 . 1 1 175 175 ALA CA C 13 53.14 0.15 . 1 . . . . 175 ALA CA . 6942 1 1739 . 1 1 175 175 ALA CB C 13 19.42 0.15 . 1 . . . . 175 ALA CB . 6942 1 1740 . 1 1 175 175 ALA N N 15 119.9 0.15 . 1 . . . . 175 ALA N . 6942 1 1741 . 1 1 176 176 ASP H H 1 7.58 0.05 . 1 . . . . 176 ASP H . 6942 1 1742 . 1 1 176 176 ASP HA H 1 4.93 0.05 . 1 . . . . 176 ASP HA . 6942 1 1743 . 1 1 176 176 ASP HB2 H 1 2.75 0.05 . 2 . . . . 176 ASP HB2 . 6942 1 1744 . 1 1 176 176 ASP HB3 H 1 2.73 0.05 . 2 . . . . 176 ASP HB3 . 6942 1 1745 . 1 1 176 176 ASP CA C 13 51.23 0.15 . 1 . . . . 176 ASP CA . 6942 1 1746 . 1 1 176 176 ASP CB C 13 41.17 0.15 . 1 . . . . 176 ASP CB . 6942 1 1747 . 1 1 176 176 ASP N N 15 114.24 0.15 . 1 . . . . 176 ASP N . 6942 1 1748 . 1 1 177 177 PRO C C 13 178.42 0.15 . 1 . . . . 177 PRO C . 6942 1 1749 . 1 1 177 177 PRO CA C 13 63.74 0.15 . 1 . . . . 177 PRO CA . 6942 1 1750 . 1 1 177 177 PRO CB C 13 32.2 0.15 . 1 . . . . 177 PRO CB . 6942 1 1751 . 1 1 178 178 SER H H 1 8.28 0.05 . 1 . . . . 178 SER H . 6942 1 1752 . 1 1 178 178 SER HA H 1 4.81 0.05 . 1 . . . . 178 SER HA . 6942 1 1753 . 1 1 178 178 SER HB2 H 1 3.97 0.05 . 2 . . . . 178 SER HB2 . 6942 1 1754 . 1 1 178 178 SER HB3 H 1 4 0.05 . 2 . . . . 178 SER HB3 . 6942 1 1755 . 1 1 178 178 SER C C 13 176.58 0.15 . 1 . . . . 178 SER C . 6942 1 1756 . 1 1 178 178 SER CA C 13 61.57 0.15 . 1 . . . . 178 SER CA . 6942 1 1757 . 1 1 178 178 SER CB C 13 63.8 0.15 . 1 . . . . 178 SER CB . 6942 1 1758 . 1 1 178 178 SER N N 15 115.95 0.15 . 1 . . . . 178 SER N . 6942 1 1759 . 1 1 179 179 ILE H H 1 7.46 0.05 . 1 . . . . 179 ILE H . 6942 1 1760 . 1 1 179 179 ILE HA H 1 4.07 0.05 . 1 . . . . 179 ILE HA . 6942 1 1761 . 1 1 179 179 ILE HB H 1 1.86 0.05 . 1 . . . . 179 ILE HB . 6942 1 1762 . 1 1 179 179 ILE HG12 H 1 1.33 0.05 . 2 . . . . 179 ILE HG12 . 6942 1 1763 . 1 1 179 179 ILE HG13 H 1 0.78 0.05 . 2 . . . . 179 ILE HG13 . 6942 1 1764 . 1 1 179 179 ILE HD11 H 1 0.73 0.05 . 1 . . . . 179 ILE HD1 . 6942 1 1765 . 1 1 179 179 ILE HD12 H 1 0.73 0.05 . 1 . . . . 179 ILE HD1 . 6942 1 1766 . 1 1 179 179 ILE HD13 H 1 0.73 0.05 . 1 . . . . 179 ILE HD1 . 6942 1 1767 . 1 1 179 179 ILE C C 13 176.84 0.15 . 1 . . . . 179 ILE C . 6942 1 1768 . 1 1 179 179 ILE CA C 13 62.93 0.15 . 1 . . . . 179 ILE CA . 6942 1 1769 . 1 1 179 179 ILE CB C 13 37.91 0.15 . 1 . . . . 179 ILE CB . 6942 1 1770 . 1 1 179 179 ILE N N 15 120.65 0.15 . 1 . . . . 179 ILE N . 6942 1 1771 . 1 1 180 180 VAL H H 1 7.51 0.05 . 1 . . . . 180 VAL H . 6942 1 1772 . 1 1 180 180 VAL HA H 1 4.18 0.05 . 1 . . . . 180 VAL HA . 6942 1 1773 . 1 1 180 180 VAL HB H 1 2.26 0.05 . 1 . . . . 180 VAL HB . 6942 1 1774 . 1 1 180 180 VAL HG11 H 1 0.96 0.05 . 2 . . . . 180 VAL HG1 . 6942 1 1775 . 1 1 180 180 VAL HG12 H 1 0.96 0.05 . 2 . . . . 180 VAL HG1 . 6942 1 1776 . 1 1 180 180 VAL HG13 H 1 0.96 0.05 . 2 . . . . 180 VAL HG1 . 6942 1 1777 . 1 1 180 180 VAL HG21 H 1 0.95 0.05 . 2 . . . . 180 VAL HG2 . 6942 1 1778 . 1 1 180 180 VAL HG22 H 1 0.95 0.05 . 2 . . . . 180 VAL HG2 . 6942 1 1779 . 1 1 180 180 VAL HG23 H 1 0.95 0.05 . 2 . . . . 180 VAL HG2 . 6942 1 1780 . 1 1 180 180 VAL C C 13 176.73 0.15 . 1 . . . . 180 VAL C . 6942 1 1781 . 1 1 180 180 VAL CA C 13 62.93 0.15 . 1 . . . . 180 VAL CA . 6942 1 1782 . 1 1 180 180 VAL CB C 13 32.65 0.15 . 1 . . . . 180 VAL CB . 6942 1 1783 . 1 1 180 180 VAL CG1 C 13 20.02 0.15 . 2 . . . . 180 VAL CG1 . 6942 1 1784 . 1 1 180 180 VAL CG2 C 13 20.44 0.15 . 2 . . . . 180 VAL CG2 . 6942 1 1785 . 1 1 180 180 VAL N N 15 116.65 0.15 . 1 . . . . 180 VAL N . 6942 1 1786 . 1 1 181 181 GLN H H 1 7.89 0.05 . 1 . . . . 181 GLN H . 6942 1 1787 . 1 1 181 181 GLN HA H 1 4.23 0.05 . 1 . . . . 181 GLN HA . 6942 1 1788 . 1 1 181 181 GLN HB2 H 1 2.09 0.05 . 2 . . . . 181 GLN HB2 . 6942 1 1789 . 1 1 181 181 GLN HB3 H 1 2.1 0.05 . 2 . . . . 181 GLN HB3 . 6942 1 1790 . 1 1 181 181 GLN HG2 H 1 2.48 0.05 . 2 . . . . 181 GLN HG2 . 6942 1 1791 . 1 1 181 181 GLN HG3 H 1 2.28 0.05 . 2 . . . . 181 GLN HG3 . 6942 1 1792 . 1 1 181 181 GLN C C 13 176.62 0.15 . 1 . . . . 181 GLN C . 6942 1 1793 . 1 1 181 181 GLN CA C 13 57.49 0.15 . 1 . . . . 181 GLN CA . 6942 1 1794 . 1 1 181 181 GLN CB C 13 30.07 0.15 . 1 . . . . 181 GLN CB . 6942 1 1795 . 1 1 181 181 GLN CG C 13 33.62 0.15 . 1 . . . . 181 GLN CG . 6942 1 1796 . 1 1 181 181 GLN N N 15 121.58 0.15 . 1 . . . . 181 GLN N . 6942 1 1797 . 1 1 182 182 ALA H H 1 7.92 0.05 . 1 . . . . 182 ALA H . 6942 1 1798 . 1 1 182 182 ALA HA H 1 4.36 0.05 . 1 . . . . 182 ALA HA . 6942 1 1799 . 1 1 182 182 ALA HB1 H 1 1.44 0.05 . 1 . . . . 182 ALA HB . 6942 1 1800 . 1 1 182 182 ALA HB2 H 1 1.44 0.05 . 1 . . . . 182 ALA HB . 6942 1 1801 . 1 1 182 182 ALA HB3 H 1 1.44 0.05 . 1 . . . . 182 ALA HB . 6942 1 1802 . 1 1 182 182 ALA C C 13 177.31 0.15 . 1 . . . . 182 ALA C . 6942 1 1803 . 1 1 182 182 ALA CA C 13 53.68 0.15 . 1 . . . . 182 ALA CA . 6942 1 1804 . 1 1 182 182 ALA CB C 13 18.88 0.15 . 1 . . . . 182 ALA CB . 6942 1 1805 . 1 1 182 182 ALA N N 15 120.59 0.15 . 1 . . . . 182 ALA N . 6942 1 1806 . 1 1 183 183 LEU H H 1 7.63 0.05 . 1 . . . . 183 LEU H . 6942 1 1807 . 1 1 183 183 LEU HA H 1 4.5 0.05 . 1 . . . . 183 LEU HA . 6942 1 1808 . 1 1 183 183 LEU HB2 H 1 1.49 0.05 . 2 . . . . 183 LEU HB2 . 6942 1 1809 . 1 1 183 183 LEU HB3 H 1 1.43 0.05 . 2 . . . . 183 LEU HB3 . 6942 1 1810 . 1 1 183 183 LEU HG H 1 1.85 0.05 . 1 . . . . 183 LEU HG . 6942 1 1811 . 1 1 183 183 LEU HD11 H 1 1.05 0.05 . 2 . . . . 183 LEU HD1 . 6942 1 1812 . 1 1 183 183 LEU HD12 H 1 1.05 0.05 . 2 . . . . 183 LEU HD1 . 6942 1 1813 . 1 1 183 183 LEU HD13 H 1 1.05 0.05 . 2 . . . . 183 LEU HD1 . 6942 1 1814 . 1 1 183 183 LEU HD21 H 1 1.05 0.05 . 2 . . . . 183 LEU HD2 . 6942 1 1815 . 1 1 183 183 LEU HD22 H 1 1.05 0.05 . 2 . . . . 183 LEU HD2 . 6942 1 1816 . 1 1 183 183 LEU HD23 H 1 1.05 0.05 . 2 . . . . 183 LEU HD2 . 6942 1 1817 . 1 1 183 183 LEU C C 13 176.54 0.15 . 1 . . . . 183 LEU C . 6942 1 1818 . 1 1 183 183 LEU CA C 13 55.59 0.15 . 1 . . . . 183 LEU CA . 6942 1 1819 . 1 1 183 183 LEU CB C 13 42.26 0.15 . 1 . . . . 183 LEU CB . 6942 1 1820 . 1 1 183 183 LEU CG C 13 28.73 0.15 . 1 . . . . 183 LEU CG . 6942 1 1821 . 1 1 183 183 LEU CD1 C 13 25.55 0.15 . 2 . . . . 183 LEU CD1 . 6942 1 1822 . 1 1 183 183 LEU CD2 C 13 25.89 0.15 . 2 . . . . 183 LEU CD2 . 6942 1 1823 . 1 1 183 183 LEU N N 15 115.04 0.15 . 1 . . . . 183 LEU N . 6942 1 1824 . 1 1 184 184 SER H H 1 7.82 0.05 . 1 . . . . 184 SER H . 6942 1 1825 . 1 1 184 184 SER HA H 1 4.8 0.05 . 1 . . . . 184 SER HA . 6942 1 1826 . 1 1 184 184 SER HB2 H 1 4.08 0.05 . 2 . . . . 184 SER HB2 . 6942 1 1827 . 1 1 184 184 SER HB3 H 1 4.13 0.05 . 2 . . . . 184 SER HB3 . 6942 1 1828 . 1 1 184 184 SER C C 13 173.05 0.15 . 1 . . . . 184 SER C . 6942 1 1829 . 1 1 184 184 SER CA C 13 58.03 0.15 . 1 . . . . 184 SER CA . 6942 1 1830 . 1 1 184 184 SER CB C 13 63.74 0.15 . 1 . . . . 184 SER CB . 6942 1 1831 . 1 1 184 184 SER N N 15 113.27 0.15 . 1 . . . . 184 SER N . 6942 1 1832 . 1 1 185 185 LEU H H 1 8.1 0.05 . 1 . . . . 185 LEU H . 6942 1 1833 . 1 1 185 185 LEU HA H 1 4.54 0.05 . 1 . . . . 185 LEU HA . 6942 1 1834 . 1 1 185 185 LEU HB2 H 1 1.58 0.05 . 2 . . . . 185 LEU HB2 . 6942 1 1835 . 1 1 185 185 LEU HB3 H 1 1.54 0.05 . 2 . . . . 185 LEU HB3 . 6942 1 1836 . 1 1 185 185 LEU HG H 1 1.34 0.05 . 1 . . . . 185 LEU HG . 6942 1 1837 . 1 1 185 185 LEU HD11 H 1 0.53 0.05 . 2 . . . . 185 LEU HD1 . 6942 1 1838 . 1 1 185 185 LEU HD12 H 1 0.53 0.05 . 2 . . . . 185 LEU HD1 . 6942 1 1839 . 1 1 185 185 LEU HD13 H 1 0.53 0.05 . 2 . . . . 185 LEU HD1 . 6942 1 1840 . 1 1 185 185 LEU HD21 H 1 0.53 0.05 . 2 . . . . 185 LEU HD2 . 6942 1 1841 . 1 1 185 185 LEU HD22 H 1 0.53 0.05 . 2 . . . . 185 LEU HD2 . 6942 1 1842 . 1 1 185 185 LEU HD23 H 1 0.53 0.05 . 2 . . . . 185 LEU HD2 . 6942 1 1843 . 1 1 185 185 LEU CA C 13 54.77 0.15 . 1 . . . . 185 LEU CA . 6942 1 1844 . 1 1 185 185 LEU CB C 13 40.36 0.15 . 1 . . . . 185 LEU CB . 6942 1 1845 . 1 1 185 185 LEU CG C 13 26.75 0.15 . 1 . . . . 185 LEU CG . 6942 1 1846 . 1 1 185 185 LEU CD1 C 13 23.52 0.15 . 2 . . . . 185 LEU CD1 . 6942 1 1847 . 1 1 185 185 LEU CD2 C 13 24.4 0.15 . 2 . . . . 185 LEU CD2 . 6942 1 1848 . 1 1 185 185 LEU N N 15 125.96 0.15 . 1 . . . . 185 LEU N . 6942 1 1849 . 1 1 186 186 TYR H H 1 7.4 0.05 . 1 . . . . 186 TYR H . 6942 1 1850 . 1 1 186 186 TYR HA H 1 4.13 0.05 . 1 . . . . 186 TYR HA . 6942 1 1851 . 1 1 186 186 TYR HB2 H 1 2.68 0.05 . 1 . . . . 186 TYR HB2 . 6942 1 1852 . 1 1 186 186 TYR HB3 H 1 2.68 0.05 . 1 . . . . 186 TYR HB3 . 6942 1 1853 . 1 1 186 186 TYR C C 13 175.46 0.15 . 1 . . . . 186 TYR C . 6942 1 1854 . 1 1 186 186 TYR CA C 13 58.03 0.15 . 1 . . . . 186 TYR CA . 6942 1 1855 . 1 1 186 186 TYR CB C 13 43.08 39.16 . 1 . . . . 186 TYR CB . 6942 1 1856 . 1 1 186 186 TYR N N 15 115.66 0.15 . 1 . . . . 186 TYR N . 6942 1 1857 . 1 1 187 187 ASP H H 1 7.81 0.05 . 1 . . . . 187 ASP H . 6942 1 1858 . 1 1 187 187 ASP HA H 1 4.54 0.05 . 1 . . . . 187 ASP HA . 6942 1 1859 . 1 1 187 187 ASP HB2 H 1 2.67 0.05 . 2 . . . . 187 ASP HB2 . 6942 1 1860 . 1 1 187 187 ASP HB3 H 1 2.82 0.05 . 2 . . . . 187 ASP HB3 . 6942 1 1861 . 1 1 187 187 ASP C C 13 176.7 0.15 . 1 . . . . 187 ASP C . 6942 1 1862 . 1 1 187 187 ASP CA C 13 55.04 0.15 . 1 . . . . 187 ASP CA . 6942 1 1863 . 1 1 187 187 ASP CB C 13 41.17 0.15 . 1 . . . . 187 ASP CB . 6942 1 1864 . 1 1 187 187 ASP N N 15 120.3 0.15 . 1 . . . . 187 ASP N . 6942 1 1865 . 1 1 188 188 GLY H H 1 8.1 0.05 . 1 . . . . 188 GLY H . 6942 1 1866 . 1 1 188 188 GLY HA2 H 1 3.85 0.05 . 2 . . . . 188 GLY HA2 . 6942 1 1867 . 1 1 188 188 GLY HA3 H 1 4.54 0.05 . 2 . . . . 188 GLY HA3 . 6942 1 1868 . 1 1 188 188 GLY C C 13 174.05 0.05 . 1 . . . . 188 GLY C . 6942 1 1869 . 1 1 188 188 GLY CA C 13 45.52 0.15 . 1 . . . . 188 GLY CA . 6942 1 1870 . 1 1 188 188 GLY N N 15 108.94 0.15 . 1 . . . . 188 GLY N . 6942 1 1871 . 1 1 189 189 LEU H H 1 8 0.05 . 1 . . . . 189 LEU H . 6942 1 1872 . 1 1 189 189 LEU HA H 1 4.36 0.05 . 1 . . . . 189 LEU HA . 6942 1 1873 . 1 1 189 189 LEU HB2 H 1 1.68 0.05 . 2 . . . . 189 LEU HB2 . 6942 1 1874 . 1 1 189 189 LEU HB3 H 1 1.6 0.05 . 2 . . . . 189 LEU HB3 . 6942 1 1875 . 1 1 189 189 LEU HG H 1 1.56 0.05 . 1 . . . . 189 LEU HG . 6942 1 1876 . 1 1 189 189 LEU HD11 H 1 0.8 0.05 . 2 . . . . 189 LEU HD1 . 6942 1 1877 . 1 1 189 189 LEU HD12 H 1 0.8 0.05 . 2 . . . . 189 LEU HD1 . 6942 1 1878 . 1 1 189 189 LEU HD13 H 1 0.8 0.05 . 2 . . . . 189 LEU HD1 . 6942 1 1879 . 1 1 189 189 LEU HD21 H 1 0.81 0.05 . 2 . . . . 189 LEU HD2 . 6942 1 1880 . 1 1 189 189 LEU HD22 H 1 0.81 0.05 . 2 . . . . 189 LEU HD2 . 6942 1 1881 . 1 1 189 189 LEU HD23 H 1 0.81 0.05 . 2 . . . . 189 LEU HD2 . 6942 1 1882 . 1 1 189 189 LEU C C 13 179.11 0.15 . 1 . . . . 189 LEU C . 6942 1 1883 . 1 1 189 189 LEU CA C 13 55.59 0.15 . 1 . . . . 189 LEU CA . 6942 1 1884 . 1 1 189 189 LEU CB C 13 42.81 0.15 . 1 . . . . 189 LEU CB . 6942 1 1885 . 1 1 189 189 LEU CG C 13 29.24 0.15 . 1 . . . . 189 LEU CG . 6942 1 1886 . 1 1 189 189 LEU CD1 C 13 25.17 0.15 . 1 . . . . 189 LEU CD1 . 6942 1 1887 . 1 1 189 189 LEU CD2 C 13 25.17 0.15 . 1 . . . . 189 LEU CD2 . 6942 1 1888 . 1 1 189 189 LEU N N 15 121.21 0.15 . 1 . . . . 189 LEU N . 6942 1 1889 . 1 1 190 190 VAL H H 1 7.49 0.05 . 1 . . . . 190 VAL H . 6942 1 1890 . 1 1 190 190 VAL HA H 1 4.09 0.05 . 1 . . . . 190 VAL HA . 6942 1 1891 . 1 1 190 190 VAL HB H 1 2.02 0.05 . 1 . . . . 190 VAL HB . 6942 1 1892 . 1 1 190 190 VAL HG11 H 1 0.82 0.05 . 2 . . . . 190 VAL HG1 . 6942 1 1893 . 1 1 190 190 VAL HG12 H 1 0.82 0.05 . 2 . . . . 190 VAL HG1 . 6942 1 1894 . 1 1 190 190 VAL HG13 H 1 0.82 0.05 . 2 . . . . 190 VAL HG1 . 6942 1 1895 . 1 1 190 190 VAL HG21 H 1 0.82 0.05 . 2 . . . . 190 VAL HG2 . 6942 1 1896 . 1 1 190 190 VAL HG22 H 1 0.82 0.05 . 2 . . . . 190 VAL HG2 . 6942 1 1897 . 1 1 190 190 VAL HG23 H 1 0.82 0.05 . 2 . . . . 190 VAL HG2 . 6942 1 1898 . 1 1 190 190 VAL CA C 13 63.2 0.15 . 1 . . . . 190 VAL CA . 6942 1 1899 . 1 1 190 190 VAL CB C 13 33.83 0.15 . 1 . . . . 190 VAL CB . 6942 1 1900 . 1 1 190 190 VAL CG1 C 13 20.25 0.15 . 1 . . . . 190 VAL CG1 . 6942 1 1901 . 1 1 190 190 VAL CG2 C 13 20.25 0.15 . 1 . . . . 190 VAL CG2 . 6942 1 1902 . 1 1 190 190 VAL N N 15 122.44 0.15 . 1 . . . . 190 VAL N . 6942 1 stop_ save_