data_6732 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6732 _Entry.Title ; The structure of human CD23 and its interactions with IgE and CD21 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-19 _Entry.Accession_date 2005-07-19 _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 Richard Hibbert . G. . 6732 2 Peter Teriete . . . 6732 3 James McDonnell . M. . 6732 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 6 6732 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 425 6732 '15N chemical shifts' 735 6732 '1H chemical shifts' 1342 6732 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 . . 2012-12-07 2005-07-19 update BMRB 'remove outliers: 142 ALA N 8.633, and 37 ASP N 8.489' 6732 1 . . 2005-10-18 2005-07-19 original author 'original release' 6732 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6733 'derCD23 complex with Ca' 6732 BMRB 6734 'derCD23 complex with CD21' 6732 BMRB 6735 'derCD23 complex with IgE' 6732 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6732 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16172256 _Citation.Full_citation . _Citation.Title 'The structure of human CD23 and its interactions with IgE and CD21' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Exp. Med.' _Citation.Journal_name_full . _Citation.Journal_volume 202 _Citation.Journal_issue 6 _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 751 _Citation.Page_last 760 _Citation.Year 2005 _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 Richard Hibbert . G. . 6732 1 2 Peter Teriete . . . 6732 1 3 Gabrielle Grundy . J. . 6732 1 4 Rebecca Beavil . L. . 6732 1 5 Rajko Reljic . . . 6732 1 6 V. Holers . Michael . 6732 1 7 Jonathan Hannan . P. . 6732 1 8 Brian Sutton . J. . 6732 1 9 Hannah Gould . J. . 6732 1 10 James McDonnell . M. . 6732 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6732 _Assembly.ID 1 _Assembly.Name derCD23 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 16000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6732 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 derCD23 1 $derCD23 . . yes native yes no . . "'A' conformation" 6732 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_derCD23 _Entity.Sf_category entity _Entity.Sf_framecode derCD23 _Entity.Entry_ID 6732 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name derCD23 _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 ; SGFVCNTCPEKWINFQRKCY YFGKGTKQWVHARYACDDME GQLVSIHSPEEQDFLTKHAS HTGSWIGLRNLDLKGEFIWV DGSHVDYSNWAPGEPTSRSQ GEDCVMMRGSGRWNDAFCDR KLGAWVCDRLATCTPPASEG SAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 6733 . derCD23 . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 2 no BMRB 6734 . derCD23 . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 3 no BMRB 6735 . derCD23 . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 4 no PDB 1T8C . "Structure Of The C-Type Lectin Domain Of Cd23" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 5 no PDB 1T8D . "Structure Of The C-Type Lectin Domain Of Cd23" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 6 no PDB 2H2R . "Crystal Structure Of The Human Cd23 Lectin Domain, Apo Form" . . . . . 100.00 175 98.60 98.60 6.13e-101 . . . . 6732 1 7 no PDB 2H2T . "Cd23 Lectin Domain, Calcium 2+-Bound" . . . . . 100.00 175 98.60 98.60 6.13e-101 . . . . 6732 1 8 no PDB 4EZM . "Crystal Structure Of The Human Ige-Fc(Epsilon)3-4 Bound To Its B Cell Receptor Dercd23" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 9 no PDB 4G96 . "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 10 no PDB 4G9A . "Crystal Structure Of Calcium2+-bound Wild-type Cd23 Lectin Domain" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 11 no PDB 4GI0 . "Crystal Structure Of Cd23 Lectin Domain Mutant E249a" . . . . . 100.00 143 99.30 99.30 7.80e-102 . . . . 6732 1 12 no PDB 4GJ0 . "Crystal Structure Of Cd23 Lectin Domain Mutant S252a" . . . . . 100.00 143 99.30 100.00 2.92e-102 . . . . 6732 1 13 no PDB 4GJX . "Crystal Structure Of Cd23 Lectin Domain Mutant D258a" . . . . . 100.00 143 99.30 99.30 1.09e-101 . . . . 6732 1 14 no PDB 4GK1 . "Crystal Structure Of Cd23 Lectin Domain Mutant D270a" . . . . . 100.00 143 99.30 99.30 1.09e-101 . . . . 6732 1 15 no PDB 4GKO . "Crystal Structure Of The Calcium2+-bound Human Ige-fc(epsilon)3-4 Bound To Its B Cell Receptor Dercd23" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 16 no PDB 4J6J . "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form A)" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 17 no PDB 4J6K . "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form B)" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 18 no PDB 4J6L . "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form C)" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 19 no PDB 4J6M . "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form D)" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 20 no PDB 4J6N . "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form E)" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 21 no PDB 4J6P . "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form F)" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 22 no PDB 4J6Q . "Crystal Structure Of Calcium2+-free Wild-type Cd23 Lectin Domain (crystal Form G)" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 23 no PDB 4KI1 . "Primitive Triclinic Crystal Form Of The Human Ige-fc(epsilon)3-4 Bound To Its B Cell Receptor Dercd23" . . . . . 100.00 143 100.00 100.00 1.27e-102 . . . . 6732 1 24 no DBJ BAD96927 . "Fc fragment of IgE, low affinity II, receptor for (CD23A) variant [Homo sapiens]" . . . . . 100.00 321 100.00 100.00 1.61e-103 . . . . 6732 1 25 no DBJ BAG73143 . "Fc fragment of IgE [synthetic construct]" . . . . . 100.00 321 99.30 100.00 4.88e-103 . . . . 6732 1 26 no EMBL CAA28465 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 321 99.30 99.30 7.06e-103 . . . . 6732 1 27 no GB AAA52434 . "Fc-epsilon receptor old gene name 'FCE1A' [Homo sapiens]" . . . . . 100.00 321 100.00 100.00 1.01e-103 . . . . 6732 1 28 no GB AAA52435 . "Fc-epsilon receptor old gene name 'FCE1A' [Homo sapiens]" . . . . . 100.00 321 100.00 100.00 1.01e-103 . . . . 6732 1 29 no GB AAH14108 . "Fc fragment of IgE, low affinity II, receptor for (CD23) [Homo sapiens]" . . . . . 100.00 321 100.00 100.00 1.01e-103 . . . . 6732 1 30 no GB AAH62591 . "Fc fragment of IgE, low affinity II, receptor for (CD23) [Homo sapiens]" . . . . . 100.00 321 100.00 100.00 1.01e-103 . . . . 6732 1 31 no GB ABM83161 . "Fc fragment of IgE, low affinity II, receptor for (CD23) [synthetic construct]" . . . . . 100.00 321 100.00 100.00 1.01e-103 . . . . 6732 1 32 no REF NP_001193948 . "low affinity immunoglobulin epsilon Fc receptor isoform b [Homo sapiens]" . . . . . 100.00 320 100.00 100.00 1.01e-103 . . . . 6732 1 33 no REF NP_001207429 . "low affinity immunoglobulin epsilon Fc receptor isoform a [Homo sapiens]" . . . . . 100.00 321 100.00 100.00 1.01e-103 . . . . 6732 1 34 no REF NP_001993 . "low affinity immunoglobulin epsilon Fc receptor isoform a [Homo sapiens]" . . . . . 100.00 321 100.00 100.00 1.01e-103 . . . . 6732 1 35 no REF XP_004059934 . "PREDICTED: low affinity immunoglobulin epsilon Fc receptor isoform 1 [Gorilla gorilla gorilla]" . . . . . 100.00 321 98.60 99.30 5.06e-102 . . . . 6732 1 36 no REF XP_004059935 . "PREDICTED: low affinity immunoglobulin epsilon Fc receptor isoform 2 [Gorilla gorilla gorilla]" . . . . . 100.00 320 98.60 99.30 4.50e-102 . . . . 6732 1 37 no SP P06734 . "RecName: Full=Low affinity immunoglobulin epsilon Fc receptor; AltName: Full=BLAST-2; AltName: Full=C-type lectin domain family" . . . . . 100.00 321 100.00 100.00 1.01e-103 . . . . 6732 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 . SER . 6732 1 2 . GLY . 6732 1 3 . PHE . 6732 1 4 . VAL . 6732 1 5 . CYS . 6732 1 6 . ASN . 6732 1 7 . THR . 6732 1 8 . CYS . 6732 1 9 . PRO . 6732 1 10 . GLU . 6732 1 11 . LYS . 6732 1 12 . TRP . 6732 1 13 . ILE . 6732 1 14 . ASN . 6732 1 15 . PHE . 6732 1 16 . GLN . 6732 1 17 . ARG . 6732 1 18 . LYS . 6732 1 19 . CYS . 6732 1 20 . TYR . 6732 1 21 . TYR . 6732 1 22 . PHE . 6732 1 23 . GLY . 6732 1 24 . LYS . 6732 1 25 . GLY . 6732 1 26 . THR . 6732 1 27 . LYS . 6732 1 28 . GLN . 6732 1 29 . TRP . 6732 1 30 . VAL . 6732 1 31 . HIS . 6732 1 32 . ALA . 6732 1 33 . ARG . 6732 1 34 . TYR . 6732 1 35 . ALA . 6732 1 36 . CYS . 6732 1 37 . ASP . 6732 1 38 . ASP . 6732 1 39 . MET . 6732 1 40 . GLU . 6732 1 41 . GLY . 6732 1 42 . GLN . 6732 1 43 . LEU . 6732 1 44 . VAL . 6732 1 45 . SER . 6732 1 46 . ILE . 6732 1 47 . HIS . 6732 1 48 . SER . 6732 1 49 . PRO . 6732 1 50 . GLU . 6732 1 51 . GLU . 6732 1 52 . GLN . 6732 1 53 . ASP . 6732 1 54 . PHE . 6732 1 55 . LEU . 6732 1 56 . THR . 6732 1 57 . LYS . 6732 1 58 . HIS . 6732 1 59 . ALA . 6732 1 60 . SER . 6732 1 61 . HIS . 6732 1 62 . THR . 6732 1 63 . GLY . 6732 1 64 . SER . 6732 1 65 . TRP . 6732 1 66 . ILE . 6732 1 67 . GLY . 6732 1 68 . LEU . 6732 1 69 . ARG . 6732 1 70 . ASN . 6732 1 71 . LEU . 6732 1 72 . ASP . 6732 1 73 . LEU . 6732 1 74 . LYS . 6732 1 75 . GLY . 6732 1 76 . GLU . 6732 1 77 . PHE . 6732 1 78 . ILE . 6732 1 79 . TRP . 6732 1 80 . VAL . 6732 1 81 . ASP . 6732 1 82 . GLY . 6732 1 83 . SER . 6732 1 84 . HIS . 6732 1 85 . VAL . 6732 1 86 . ASP . 6732 1 87 . TYR . 6732 1 88 . SER . 6732 1 89 . ASN . 6732 1 90 . TRP . 6732 1 91 . ALA . 6732 1 92 . PRO . 6732 1 93 . GLY . 6732 1 94 . GLU . 6732 1 95 . PRO . 6732 1 96 . THR . 6732 1 97 . SER . 6732 1 98 . ARG . 6732 1 99 . SER . 6732 1 100 . GLN . 6732 1 101 . GLY . 6732 1 102 . GLU . 6732 1 103 . ASP . 6732 1 104 . CYS . 6732 1 105 . VAL . 6732 1 106 . MET . 6732 1 107 . MET . 6732 1 108 . ARG . 6732 1 109 . GLY . 6732 1 110 . SER . 6732 1 111 . GLY . 6732 1 112 . ARG . 6732 1 113 . TRP . 6732 1 114 . ASN . 6732 1 115 . ASP . 6732 1 116 . ALA . 6732 1 117 . PHE . 6732 1 118 . CYS . 6732 1 119 . ASP . 6732 1 120 . ARG . 6732 1 121 . LYS . 6732 1 122 . LEU . 6732 1 123 . GLY . 6732 1 124 . ALA . 6732 1 125 . TRP . 6732 1 126 . VAL . 6732 1 127 . CYS . 6732 1 128 . ASP . 6732 1 129 . ARG . 6732 1 130 . LEU . 6732 1 131 . ALA . 6732 1 132 . THR . 6732 1 133 . CYS . 6732 1 134 . THR . 6732 1 135 . PRO . 6732 1 136 . PRO . 6732 1 137 . ALA . 6732 1 138 . SER . 6732 1 139 . GLU . 6732 1 140 . GLY . 6732 1 141 . SER . 6732 1 142 . ALA . 6732 1 143 . GLU . 6732 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 . SER 1 1 6732 1 . GLY 2 2 6732 1 . PHE 3 3 6732 1 . VAL 4 4 6732 1 . CYS 5 5 6732 1 . ASN 6 6 6732 1 . THR 7 7 6732 1 . CYS 8 8 6732 1 . PRO 9 9 6732 1 . GLU 10 10 6732 1 . LYS 11 11 6732 1 . TRP 12 12 6732 1 . ILE 13 13 6732 1 . ASN 14 14 6732 1 . PHE 15 15 6732 1 . GLN 16 16 6732 1 . ARG 17 17 6732 1 . LYS 18 18 6732 1 . CYS 19 19 6732 1 . TYR 20 20 6732 1 . TYR 21 21 6732 1 . PHE 22 22 6732 1 . GLY 23 23 6732 1 . LYS 24 24 6732 1 . GLY 25 25 6732 1 . THR 26 26 6732 1 . LYS 27 27 6732 1 . GLN 28 28 6732 1 . TRP 29 29 6732 1 . VAL 30 30 6732 1 . HIS 31 31 6732 1 . ALA 32 32 6732 1 . ARG 33 33 6732 1 . TYR 34 34 6732 1 . ALA 35 35 6732 1 . CYS 36 36 6732 1 . ASP 37 37 6732 1 . ASP 38 38 6732 1 . MET 39 39 6732 1 . GLU 40 40 6732 1 . GLY 41 41 6732 1 . GLN 42 42 6732 1 . LEU 43 43 6732 1 . VAL 44 44 6732 1 . SER 45 45 6732 1 . ILE 46 46 6732 1 . HIS 47 47 6732 1 . SER 48 48 6732 1 . PRO 49 49 6732 1 . GLU 50 50 6732 1 . GLU 51 51 6732 1 . GLN 52 52 6732 1 . ASP 53 53 6732 1 . PHE 54 54 6732 1 . LEU 55 55 6732 1 . THR 56 56 6732 1 . LYS 57 57 6732 1 . HIS 58 58 6732 1 . ALA 59 59 6732 1 . SER 60 60 6732 1 . HIS 61 61 6732 1 . THR 62 62 6732 1 . GLY 63 63 6732 1 . SER 64 64 6732 1 . TRP 65 65 6732 1 . ILE 66 66 6732 1 . GLY 67 67 6732 1 . LEU 68 68 6732 1 . ARG 69 69 6732 1 . ASN 70 70 6732 1 . LEU 71 71 6732 1 . ASP 72 72 6732 1 . LEU 73 73 6732 1 . LYS 74 74 6732 1 . GLY 75 75 6732 1 . GLU 76 76 6732 1 . PHE 77 77 6732 1 . ILE 78 78 6732 1 . TRP 79 79 6732 1 . VAL 80 80 6732 1 . ASP 81 81 6732 1 . GLY 82 82 6732 1 . SER 83 83 6732 1 . HIS 84 84 6732 1 . VAL 85 85 6732 1 . ASP 86 86 6732 1 . TYR 87 87 6732 1 . SER 88 88 6732 1 . ASN 89 89 6732 1 . TRP 90 90 6732 1 . ALA 91 91 6732 1 . PRO 92 92 6732 1 . GLY 93 93 6732 1 . GLU 94 94 6732 1 . PRO 95 95 6732 1 . THR 96 96 6732 1 . SER 97 97 6732 1 . ARG 98 98 6732 1 . SER 99 99 6732 1 . GLN 100 100 6732 1 . GLY 101 101 6732 1 . GLU 102 102 6732 1 . ASP 103 103 6732 1 . CYS 104 104 6732 1 . VAL 105 105 6732 1 . MET 106 106 6732 1 . MET 107 107 6732 1 . ARG 108 108 6732 1 . GLY 109 109 6732 1 . SER 110 110 6732 1 . GLY 111 111 6732 1 . ARG 112 112 6732 1 . TRP 113 113 6732 1 . ASN 114 114 6732 1 . ASP 115 115 6732 1 . ALA 116 116 6732 1 . PHE 117 117 6732 1 . CYS 118 118 6732 1 . ASP 119 119 6732 1 . ARG 120 120 6732 1 . LYS 121 121 6732 1 . LEU 122 122 6732 1 . GLY 123 123 6732 1 . ALA 124 124 6732 1 . TRP 125 125 6732 1 . VAL 126 126 6732 1 . CYS 127 127 6732 1 . ASP 128 128 6732 1 . ARG 129 129 6732 1 . LEU 130 130 6732 1 . ALA 131 131 6732 1 . THR 132 132 6732 1 . CYS 133 133 6732 1 . THR 134 134 6732 1 . PRO 135 135 6732 1 . PRO 136 136 6732 1 . ALA 137 137 6732 1 . SER 138 138 6732 1 . GLU 139 139 6732 1 . GLY 140 140 6732 1 . SER 141 141 6732 1 . ALA 142 142 6732 1 . GLU 143 143 6732 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6732 _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 $derCD23 . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6732 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 6732 _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 $derCD23 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6732 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6732 _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 derCD23 . 1 $assembly 1 $derCD23 . . . . . mM . . . . 6732 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6732 _Sample.ID 2 _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 derCD23 . 1 $assembly 1 $derCD23 . . 300 . . uM . . . . 6732 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6732 _Sample.ID 3 _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 derCD23 . 1 $assembly 1 $derCD23 . . 2.3 . . mM . . . . 6732 3 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 6732 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.150 0.005 M 6732 1 pH 6.8 0.05 pH 6732 1 temperature 308 0.5 K 6732 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 6732 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.69 external direct 1.0 . . . . . . . . . 6732 1 N 15 urea guanidinyl . . . . ppm 79.6 external direct 1.0 . . . . . . . . . 6732 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list _Assigned_chem_shift_list.Entry_ID 6732 _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 . . 1 $sample_1 isotropic 6732 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 3 3 PHE HA H 1 4.916 0.001 . . . . . . 3 PHE HA . 6732 1 2 . 1 1 3 3 PHE HB2 H 1 3.031 0.015 . . . . . . 3 PHE HB2 . 6732 1 3 . 1 1 3 3 PHE HB3 H 1 3.031 0.015 . . . . . . 3 PHE HB3 . 6732 1 4 . 1 1 3 3 PHE C C 13 174.595 0 . . . . . . 3 PHE C . 6732 1 5 . 1 1 3 3 PHE CA C 13 57.18 0.114 . . . . . . 3 PHE CA . 6732 1 6 . 1 1 3 3 PHE CB C 13 39.5 0 . . . . . . 3 PHE CB . 6732 1 7 . 1 1 4 4 VAL H H 1 8.34 0.018 . . . . . . 4 VAL H . 6732 1 8 . 1 1 4 4 VAL HA H 1 4.155 0.009 . . . . . . 4 VAL HA . 6732 1 9 . 1 1 4 4 VAL HB H 1 2.043 0.009 . . . . . . 4 VAL HB . 6732 1 10 . 1 1 4 4 VAL HG11 H 1 0.904 0.01 . . . . . . 4 VAL HG1 . 6732 1 11 . 1 1 4 4 VAL HG12 H 1 0.904 0.01 . . . . . . 4 VAL HG1 . 6732 1 12 . 1 1 4 4 VAL HG13 H 1 0.904 0.01 . . . . . . 4 VAL HG1 . 6732 1 13 . 1 1 4 4 VAL HG21 H 1 0.904 0.01 . . . . . . 4 VAL HG2 . 6732 1 14 . 1 1 4 4 VAL HG22 H 1 0.904 0.01 . . . . . . 4 VAL HG2 . 6732 1 15 . 1 1 4 4 VAL HG23 H 1 0.904 0.01 . . . . . . 4 VAL HG2 . 6732 1 16 . 1 1 4 4 VAL CA C 13 61.532 0.206 . . . . . . 4 VAL CA . 6732 1 17 . 1 1 4 4 VAL CB C 13 32.895 0.199 . . . . . . 4 VAL CB . 6732 1 18 . 1 1 4 4 VAL CG1 C 13 20.393 0.152 . . . . . . 4 VAL CG1 . 6732 1 19 . 1 1 4 4 VAL CG2 C 13 21.352 0 . . . . . . 4 VAL CG2 . 6732 1 20 . 1 1 4 4 VAL N N 15 121.894 0.04 . . . . . . 4 VAL N . 6732 1 21 . 1 1 5 5 CYS H H 1 7.994 0.004 . . . . . . 5 CYS H . 6732 1 22 . 1 1 5 5 CYS N N 15 129.143 0.221 . . . . . . 5 CYS N . 6732 1 23 . 1 1 6 6 ASN H H 1 8.59 0.019 . . . . . . 6 ASN H . 6732 1 24 . 1 1 6 6 ASN HA H 1 4.178 0.008 . . . . . . 6 ASN HA . 6732 1 25 . 1 1 6 6 ASN C C 13 175.867 0 . . . . . . 6 ASN C . 6732 1 26 . 1 1 6 6 ASN N N 15 123.951 0.055 . . . . . . 6 ASN N . 6732 1 27 . 1 1 7 7 THR H H 1 8.052 0.015 . . . . . . 7 THR H . 6732 1 28 . 1 1 7 7 THR HA H 1 4.294 0.005 . . . . . . 7 THR HA . 6732 1 29 . 1 1 7 7 THR HB H 1 4.14 0.007 . . . . . . 7 THR HB . 6732 1 30 . 1 1 7 7 THR HG21 H 1 1.134 0.007 . . . . . . 7 THR HG2 . 6732 1 31 . 1 1 7 7 THR HG22 H 1 1.134 0.007 . . . . . . 7 THR HG2 . 6732 1 32 . 1 1 7 7 THR HG23 H 1 1.134 0.007 . . . . . . 7 THR HG2 . 6732 1 33 . 1 1 7 7 THR C C 13 173.606 0 . . . . . . 7 THR C . 6732 1 34 . 1 1 7 7 THR CA C 13 63.743 0.272 . . . . . . 7 THR CA . 6732 1 35 . 1 1 7 7 THR CB C 13 68.783 0.129 . . . . . . 7 THR CB . 6732 1 36 . 1 1 7 7 THR CG2 C 13 21.71 0.258 . . . . . . 7 THR CG2 . 6732 1 37 . 1 1 7 7 THR N N 15 116.601 0.086 . . . . . . 7 THR N . 6732 1 38 . 1 1 8 8 CYS H H 1 9.331 0.019 . . . . . . 8 CYS H . 6732 1 39 . 1 1 8 8 CYS HA H 1 5.083 0 . . . . . . 8 CYS HA . 6732 1 40 . 1 1 8 8 CYS N N 15 126.695 0.058 . . . . . . 8 CYS N . 6732 1 41 . 1 1 9 9 PRO HA H 1 4.512 0.009 . . . . . . 9 PRO HA . 6732 1 42 . 1 1 9 9 PRO HB2 H 1 2.311 0.013 . . . . . . 9 PRO HB2 . 6732 1 43 . 1 1 9 9 PRO HB3 H 1 1.869 0.007 . . . . . . 9 PRO HB3 . 6732 1 44 . 1 1 9 9 PRO HG2 H 1 1.996 0.02 . . . . . . 9 PRO HG2 . 6732 1 45 . 1 1 9 9 PRO HG3 H 1 1.996 0.02 . . . . . . 9 PRO HG3 . 6732 1 46 . 1 1 9 9 PRO HD2 H 1 3.811 0.007 . . . . . . 9 PRO HD2 . 6732 1 47 . 1 1 9 9 PRO HD3 H 1 3.708 0.004 . . . . . . 9 PRO HD3 . 6732 1 48 . 1 1 9 9 PRO C C 13 174.097 0 . . . . . . 9 PRO C . 6732 1 49 . 1 1 9 9 PRO CA C 13 61.553 0 . . . . . . 9 PRO CA . 6732 1 50 . 1 1 9 9 PRO CB C 13 30.676 0.062 . . . . . . 9 PRO CB . 6732 1 51 . 1 1 9 9 PRO CG C 13 27.299 0 . . . . . . 9 PRO CG . 6732 1 52 . 1 1 9 9 PRO CD C 13 50.627 0.006 . . . . . . 9 PRO CD . 6732 1 53 . 1 1 10 10 GLU H H 1 8.535 0.016 . . . . . . 10 GLU H . 6732 1 54 . 1 1 10 10 GLU HA H 1 4.224 0.006 . . . . . . 10 GLU HA . 6732 1 55 . 1 1 10 10 GLU HB2 H 1 2.157 0.004 . . . . . . 10 GLU HB2 . 6732 1 56 . 1 1 10 10 GLU HB3 H 1 2.157 0.004 . . . . . . 10 GLU HB3 . 6732 1 57 . 1 1 10 10 GLU HG2 H 1 2.504 0.007 . . . . . . 10 GLU HG2 . 6732 1 58 . 1 1 10 10 GLU HG3 H 1 2.504 0.007 . . . . . . 10 GLU HG3 . 6732 1 59 . 1 1 10 10 GLU C C 13 172.327 0 . . . . . . 10 GLU C . 6732 1 60 . 1 1 10 10 GLU CA C 13 58.868 0.547 . . . . . . 10 GLU CA . 6732 1 61 . 1 1 10 10 GLU CB C 13 29.829 0.043 . . . . . . 10 GLU CB . 6732 1 62 . 1 1 10 10 GLU CG C 13 36.138 0.268 . . . . . . 10 GLU CG . 6732 1 63 . 1 1 10 10 GLU N N 15 121.6 0.163 . . . . . . 10 GLU N . 6732 1 64 . 1 1 11 11 LYS H H 1 8.79 0.013 . . . . . . 11 LYS H . 6732 1 65 . 1 1 11 11 LYS HA H 1 4.038 0.013 . . . . . . 11 LYS HA . 6732 1 66 . 1 1 11 11 LYS HB2 H 1 2.765 0.009 . . . . . . 11 LYS HB2 . 6732 1 67 . 1 1 11 11 LYS HB3 H 1 2.233 0.01 . . . . . . 11 LYS HB3 . 6732 1 68 . 1 1 11 11 LYS HG2 H 1 1.637 0.014 . . . . . . 11 LYS HG2 . 6732 1 69 . 1 1 11 11 LYS HG3 H 1 1.637 0.014 . . . . . . 11 LYS HG3 . 6732 1 70 . 1 1 11 11 LYS HD2 H 1 1.925 0.003 . . . . . . 11 LYS HD2 . 6732 1 71 . 1 1 11 11 LYS HD3 H 1 1.843 0.005 . . . . . . 11 LYS HD3 . 6732 1 72 . 1 1 11 11 LYS HE2 H 1 3.14 0.012 . . . . . . 11 LYS HE2 . 6732 1 73 . 1 1 11 11 LYS HE3 H 1 3.14 0.012 . . . . . . 11 LYS HE3 . 6732 1 74 . 1 1 11 11 LYS C C 13 169.326 0 . . . . . . 11 LYS C . 6732 1 75 . 1 1 11 11 LYS CA C 13 60.031 0.516 . . . . . . 11 LYS CA . 6732 1 76 . 1 1 11 11 LYS CB C 13 30.911 0.245 . . . . . . 11 LYS CB . 6732 1 77 . 1 1 11 11 LYS CG C 13 26.155 0.245 . . . . . . 11 LYS CG . 6732 1 78 . 1 1 11 11 LYS CD C 13 29.043 0.013 . . . . . . 11 LYS CD . 6732 1 79 . 1 1 11 11 LYS CE C 13 42.71 0 . . . . . . 11 LYS CE . 6732 1 80 . 1 1 11 11 LYS N N 15 115.149 0.107 . . . . . . 11 LYS N . 6732 1 81 . 1 1 12 12 TRP H H 1 8.505 0.013 . . . . . . 12 TRP H . 6732 1 82 . 1 1 12 12 TRP HA H 1 5.208 0.006 . . . . . . 12 TRP HA . 6732 1 83 . 1 1 12 12 TRP HB2 H 1 3.41 0.001 . . . . . . 12 TRP HB2 . 6732 1 84 . 1 1 12 12 TRP HB3 H 1 3.167 0.005 . . . . . . 12 TRP HB3 . 6732 1 85 . 1 1 12 12 TRP HD1 H 1 7.687 0.008 . . . . . . 12 TRP HD1 . 6732 1 86 . 1 1 12 12 TRP HE1 H 1 10.434 0.012 . . . . . . 12 TRP HE1 . 6732 1 87 . 1 1 12 12 TRP HZ2 H 1 7.448 0 . . . . . . 12 TRP HZ2 . 6732 1 88 . 1 1 12 12 TRP C C 13 173.883 0 . . . . . . 12 TRP C . 6732 1 89 . 1 1 12 12 TRP CA C 13 56.515 0.576 . . . . . . 12 TRP CA . 6732 1 90 . 1 1 12 12 TRP CB C 13 29.902 0.074 . . . . . . 12 TRP CB . 6732 1 91 . 1 1 12 12 TRP N N 15 120.206 0.087 . . . . . . 12 TRP N . 6732 1 92 . 1 1 12 12 TRP NE1 N 15 132.203 0.081 . . . . . . 12 TRP NE1 . 6732 1 93 . 1 1 13 13 ILE H H 1 9.86 0.014 . . . . . . 13 ILE H . 6732 1 94 . 1 1 13 13 ILE HA H 1 4.751 0.014 . . . . . . 13 ILE HA . 6732 1 95 . 1 1 13 13 ILE HB H 1 2.083 0.007 . . . . . . 13 ILE HB . 6732 1 96 . 1 1 13 13 ILE HG12 H 1 1.783 0.011 . . . . . . 13 ILE HG12 . 6732 1 97 . 1 1 13 13 ILE HG13 H 1 1.381 0.015 . . . . . . 13 ILE HG13 . 6732 1 98 . 1 1 13 13 ILE HG21 H 1 1.229 0.006 . . . . . . 13 ILE HG2 . 6732 1 99 . 1 1 13 13 ILE HG22 H 1 1.229 0.006 . . . . . . 13 ILE HG2 . 6732 1 100 . 1 1 13 13 ILE HG23 H 1 1.229 0.006 . . . . . . 13 ILE HG2 . 6732 1 101 . 1 1 13 13 ILE HD11 H 1 0.807 0.017 . . . . . . 13 ILE HD1 . 6732 1 102 . 1 1 13 13 ILE HD12 H 1 0.807 0.017 . . . . . . 13 ILE HD1 . 6732 1 103 . 1 1 13 13 ILE HD13 H 1 0.807 0.017 . . . . . . 13 ILE HD1 . 6732 1 104 . 1 1 13 13 ILE C C 13 173.656 0 . . . . . . 13 ILE C . 6732 1 105 . 1 1 13 13 ILE CA C 13 60.563 0.463 . . . . . . 13 ILE CA . 6732 1 106 . 1 1 13 13 ILE CB C 13 41.992 0.322 . . . . . . 13 ILE CB . 6732 1 107 . 1 1 13 13 ILE CG1 C 13 27.404 0.192 . . . . . . 13 ILE CG1 . 6732 1 108 . 1 1 13 13 ILE CG2 C 13 18.266 0.053 . . . . . . 13 ILE CG2 . 6732 1 109 . 1 1 13 13 ILE CD1 C 13 13.018 0.252 . . . . . . 13 ILE CD1 . 6732 1 110 . 1 1 13 13 ILE N N 15 120.783 0.089 . . . . . . 13 ILE N . 6732 1 111 . 1 1 14 14 ASN H H 1 9.084 0.014 . . . . . . 14 ASN H . 6732 1 112 . 1 1 14 14 ASN HA H 1 5.467 0.012 . . . . . . 14 ASN HA . 6732 1 113 . 1 1 14 14 ASN HB2 H 1 3.132 0.004 . . . . . . 14 ASN HB2 . 6732 1 114 . 1 1 14 14 ASN HB3 H 1 2.655 0.007 . . . . . . 14 ASN HB3 . 6732 1 115 . 1 1 14 14 ASN HD21 H 1 7.206 0.009 . . . . . . 14 ASN HD21 . 6732 1 116 . 1 1 14 14 ASN HD22 H 1 6.439 0.019 . . . . . . 14 ASN HD22 . 6732 1 117 . 1 1 14 14 ASN C C 13 175.693 0 . . . . . . 14 ASN C . 6732 1 118 . 1 1 14 14 ASN CA C 13 54.028 0.234 . . . . . . 14 ASN CA . 6732 1 119 . 1 1 14 14 ASN CB C 13 42.427 0.227 . . . . . . 14 ASN CB . 6732 1 120 . 1 1 14 14 ASN N N 15 125.568 0.143 . . . . . . 14 ASN N . 6732 1 121 . 1 1 14 14 ASN ND2 N 15 109.276 0.079 . . . . . . 14 ASN ND2 . 6732 1 122 . 1 1 15 15 PHE H H 1 8.357 0.014 . . . . . . 15 PHE H . 6732 1 123 . 1 1 15 15 PHE HA H 1 4.164 0.013 . . . . . . 15 PHE HA . 6732 1 124 . 1 1 15 15 PHE HB2 H 1 2.21 0.016 . . . . . . 15 PHE HB2 . 6732 1 125 . 1 1 15 15 PHE HB3 H 1 1.528 0.009 . . . . . . 15 PHE HB3 . 6732 1 126 . 1 1 15 15 PHE HD1 H 1 7.03 0.017 . . . . . . 15 PHE HD1 . 6732 1 127 . 1 1 15 15 PHE HD2 H 1 7.03 0.017 . . . . . . 15 PHE HD2 . 6732 1 128 . 1 1 15 15 PHE HE1 H 1 6.729 0.01 . . . . . . 15 PHE HE1 . 6732 1 129 . 1 1 15 15 PHE HE2 H 1 6.729 0.01 . . . . . . 15 PHE HE2 . 6732 1 130 . 1 1 15 15 PHE C C 13 175.728 0 . . . . . . 15 PHE C . 6732 1 131 . 1 1 15 15 PHE CA C 13 60.027 0.067 . . . . . . 15 PHE CA . 6732 1 132 . 1 1 15 15 PHE CB C 13 39.618 0.116 . . . . . . 15 PHE CB . 6732 1 133 . 1 1 15 15 PHE N N 15 124.322 0.094 . . . . . . 15 PHE N . 6732 1 134 . 1 1 16 16 GLN H H 1 8.606 0.007 . . . . . . 16 GLN H . 6732 1 135 . 1 1 16 16 GLN HA H 1 3.395 0.008 . . . . . . 16 GLN HA . 6732 1 136 . 1 1 16 16 GLN HB2 H 1 1.892 0.012 . . . . . . 16 GLN HB2 . 6732 1 137 . 1 1 16 16 GLN HB3 H 1 1.759 0.009 . . . . . . 16 GLN HB3 . 6732 1 138 . 1 1 16 16 GLN HG2 H 1 1.506 0.009 . . . . . . 16 GLN HG2 . 6732 1 139 . 1 1 16 16 GLN HG3 H 1 0.905 0.009 . . . . . . 16 GLN HG3 . 6732 1 140 . 1 1 16 16 GLN HE21 H 1 6.999 0.003 . . . . . . 16 GLN HE21 . 6732 1 141 . 1 1 16 16 GLN HE22 H 1 6.854 0.002 . . . . . . 16 GLN HE22 . 6732 1 142 . 1 1 16 16 GLN CA C 13 56.982 0.092 . . . . . . 16 GLN CA . 6732 1 143 . 1 1 16 16 GLN CB C 13 25.681 0.048 . . . . . . 16 GLN CB . 6732 1 144 . 1 1 16 16 GLN CG C 13 33.409 0.017 . . . . . . 16 GLN CG . 6732 1 145 . 1 1 16 16 GLN N N 15 125.244 0 . . . . . . 16 GLN N . 6732 1 146 . 1 1 16 16 GLN NE2 N 15 110.214 0.008 . . . . . . 16 GLN NE2 . 6732 1 147 . 1 1 17 17 ARG HA H 1 4.401 0.019 . . . . . . 17 ARG HA . 6732 1 148 . 1 1 17 17 ARG HB2 H 1 2.116 0.015 . . . . . . 17 ARG HB2 . 6732 1 149 . 1 1 17 17 ARG HB3 H 1 1.872 0.008 . . . . . . 17 ARG HB3 . 6732 1 150 . 1 1 17 17 ARG HG2 H 1 1.679 0.011 . . . . . . 17 ARG HG2 . 6732 1 151 . 1 1 17 17 ARG HG3 H 1 1.679 0.011 . . . . . . 17 ARG HG3 . 6732 1 152 . 1 1 17 17 ARG HD2 H 1 3.228 0.007 . . . . . . 17 ARG HD2 . 6732 1 153 . 1 1 17 17 ARG HD3 H 1 3.131 0.004 . . . . . . 17 ARG HD3 . 6732 1 154 . 1 1 17 17 ARG C C 13 174.227 0 . . . . . . 17 ARG C . 6732 1 155 . 1 1 17 17 ARG CA C 13 56.372 0 . . . . . . 17 ARG CA . 6732 1 156 . 1 1 17 17 ARG CB C 13 29.847 0 . . . . . . 17 ARG CB . 6732 1 157 . 1 1 17 17 ARG CG C 13 27.112 0 . . . . . . 17 ARG CG . 6732 1 158 . 1 1 17 17 ARG CD C 13 43.607 0.538 . . . . . . 17 ARG CD . 6732 1 159 . 1 1 18 18 LYS H H 1 8.081 0.015 . . . . . . 18 LYS H . 6732 1 160 . 1 1 18 18 LYS HA H 1 4.991 0.009 . . . . . . 18 LYS HA . 6732 1 161 . 1 1 18 18 LYS HB2 H 1 1.982 0.014 . . . . . . 18 LYS HB2 . 6732 1 162 . 1 1 18 18 LYS HB3 H 1 1.483 0.007 . . . . . . 18 LYS HB3 . 6732 1 163 . 1 1 18 18 LYS HG2 H 1 1.62 0.018 . . . . . . 18 LYS HG2 . 6732 1 164 . 1 1 18 18 LYS HG3 H 1 1.226 0.008 . . . . . . 18 LYS HG3 . 6732 1 165 . 1 1 18 18 LYS HD2 H 1 1.761 0.003 . . . . . . 18 LYS HD2 . 6732 1 166 . 1 1 18 18 LYS HD3 H 1 1.658 0.009 . . . . . . 18 LYS HD3 . 6732 1 167 . 1 1 18 18 LYS HE2 H 1 2.685 0.006 . . . . . . 18 LYS HE2 . 6732 1 168 . 1 1 18 18 LYS HE3 H 1 2.646 0.005 . . . . . . 18 LYS HE3 . 6732 1 169 . 1 1 18 18 LYS C C 13 174.796 0.007 . . . . . . 18 LYS C . 6732 1 170 . 1 1 18 18 LYS CA C 13 55.512 0.009 . . . . . . 18 LYS CA . 6732 1 171 . 1 1 18 18 LYS CB C 13 37.802 0.148 . . . . . . 18 LYS CB . 6732 1 172 . 1 1 18 18 LYS CG C 13 27.191 0.003 . . . . . . 18 LYS CG . 6732 1 173 . 1 1 18 18 LYS CD C 13 29.379 0.001 . . . . . . 18 LYS CD . 6732 1 174 . 1 1 18 18 LYS CE C 13 42.229 0 . . . . . . 18 LYS CE . 6732 1 175 . 1 1 18 18 LYS N N 15 119.009 0.061 . . . . . . 18 LYS N . 6732 1 176 . 1 1 19 19 CYS H H 1 8.957 0.014 . . . . . . 19 CYS H . 6732 1 177 . 1 1 19 19 CYS HA H 1 5.602 0.01 . . . . . . 19 CYS HA . 6732 1 178 . 1 1 19 19 CYS HB2 H 1 2.996 0.014 . . . . . . 19 CYS HB2 . 6732 1 179 . 1 1 19 19 CYS HB3 H 1 2.484 0.013 . . . . . . 19 CYS HB3 . 6732 1 180 . 1 1 19 19 CYS C C 13 176.633 0.046 . . . . . . 19 CYS C . 6732 1 181 . 1 1 19 19 CYS CA C 13 53.537 0.287 . . . . . . 19 CYS CA . 6732 1 182 . 1 1 19 19 CYS CB C 13 44.418 0.171 . . . . . . 19 CYS CB . 6732 1 183 . 1 1 19 19 CYS N N 15 118.979 0.072 . . . . . . 19 CYS N . 6732 1 184 . 1 1 20 20 TYR H H 1 9.78 0.016 . . . . . . 20 TYR H . 6732 1 185 . 1 1 20 20 TYR HA H 1 5.669 0.023 . . . . . . 20 TYR HA . 6732 1 186 . 1 1 20 20 TYR HB2 H 1 2.911 0.015 . . . . . . 20 TYR HB2 . 6732 1 187 . 1 1 20 20 TYR HB3 H 1 2.507 0.023 . . . . . . 20 TYR HB3 . 6732 1 188 . 1 1 20 20 TYR HD1 H 1 7.226 0.016 . . . . . . 20 TYR HD1 . 6732 1 189 . 1 1 20 20 TYR HD2 H 1 7.226 0.016 . . . . . . 20 TYR HD2 . 6732 1 190 . 1 1 20 20 TYR HE1 H 1 7.032 0.013 . . . . . . 20 TYR HE1 . 6732 1 191 . 1 1 20 20 TYR HE2 H 1 7.032 0.013 . . . . . . 20 TYR HE2 . 6732 1 192 . 1 1 20 20 TYR C C 13 175.844 0.018 . . . . . . 20 TYR C . 6732 1 193 . 1 1 20 20 TYR CA C 13 57.342 0.274 . . . . . . 20 TYR CA . 6732 1 194 . 1 1 20 20 TYR CB C 13 43.033 0.255 . . . . . . 20 TYR CB . 6732 1 195 . 1 1 20 20 TYR N N 15 120.353 0.047 . . . . . . 20 TYR N . 6732 1 196 . 1 1 21 21 TYR H H 1 8.603 0.009 . . . . . . 21 TYR H . 6732 1 197 . 1 1 21 21 TYR HD1 H 1 6.521 0.014 . . . . . . 21 TYR HD1 . 6732 1 198 . 1 1 21 21 TYR HD2 H 1 6.521 0.014 . . . . . . 21 TYR HD2 . 6732 1 199 . 1 1 21 21 TYR HE1 H 1 6.521 0.014 . . . . . . 21 TYR HE1 . 6732 1 200 . 1 1 21 21 TYR HE2 H 1 6.521 0.014 . . . . . . 21 TYR HE2 . 6732 1 201 . 1 1 21 21 TYR C C 13 176.832 0.02 . . . . . . 21 TYR C . 6732 1 202 . 1 1 21 21 TYR CA C 13 56.956 0 . . . . . . 21 TYR CA . 6732 1 203 . 1 1 21 21 TYR CB C 13 38.9 0 . . . . . . 21 TYR CB . 6732 1 204 . 1 1 21 21 TYR N N 15 123.949 0.079 . . . . . . 21 TYR N . 6732 1 205 . 1 1 22 22 PHE H H 1 7.776 0.02 . . . . . . 22 PHE H . 6732 1 206 . 1 1 22 22 PHE HA H 1 4.135 0.005 . . . . . . 22 PHE HA . 6732 1 207 . 1 1 22 22 PHE HB2 H 1 2.93 0.142 . . . . . . 22 PHE HB2 . 6732 1 208 . 1 1 22 22 PHE HB3 H 1 2.502 0.009 . . . . . . 22 PHE HB3 . 6732 1 209 . 1 1 22 22 PHE HD1 H 1 7.168 0.012 . . . . . . 22 PHE HD1 . 6732 1 210 . 1 1 22 22 PHE HD2 H 1 7.168 0.012 . . . . . . 22 PHE HD2 . 6732 1 211 . 1 1 22 22 PHE HE1 H 1 6.891 0 . . . . . . 22 PHE HE1 . 6732 1 212 . 1 1 22 22 PHE HE2 H 1 6.891 0 . . . . . . 22 PHE HE2 . 6732 1 213 . 1 1 22 22 PHE HZ H 1 6.76 0.012 . . . . . . 22 PHE HZ . 6732 1 214 . 1 1 22 22 PHE C C 13 175.367 -0.032 . . . . . . 22 PHE C . 6732 1 215 . 1 1 22 22 PHE CA C 13 57.77 0.245 . . . . . . 22 PHE CA . 6732 1 216 . 1 1 22 22 PHE CB C 13 37.056 0.334 . . . . . . 22 PHE CB . 6732 1 217 . 1 1 22 22 PHE CG C 13 36.753 0 . . . . . . 22 PHE CG . 6732 1 218 . 1 1 22 22 PHE N N 15 127.776 0.173 . . . . . . 22 PHE N . 6732 1 219 . 1 1 23 23 GLY H H 1 7.997 0.017 . . . . . . 23 GLY H . 6732 1 220 . 1 1 23 23 GLY HA2 H 1 3.152 0.01 . . . . . . 23 GLY HA2 . 6732 1 221 . 1 1 23 23 GLY HA3 H 1 0.959 0.007 . . . . . . 23 GLY HA3 . 6732 1 222 . 1 1 23 23 GLY C C 13 177.106 0.081 . . . . . . 23 GLY C . 6732 1 223 . 1 1 23 23 GLY CA C 13 43.669 0.267 . . . . . . 23 GLY CA . 6732 1 224 . 1 1 23 23 GLY N N 15 113.703 0.042 . . . . . . 23 GLY N . 6732 1 225 . 1 1 24 24 LYS H H 1 7.724 0.034 . . . . . . 24 LYS H . 6732 1 226 . 1 1 24 24 LYS HA H 1 4.9 0.012 . . . . . . 24 LYS HA . 6732 1 227 . 1 1 24 24 LYS HB2 H 1 1.821 0 . . . . . . 24 LYS HB2 . 6732 1 228 . 1 1 24 24 LYS HB3 H 1 1.669 0 . . . . . . 24 LYS HB3 . 6732 1 229 . 1 1 24 24 LYS HG2 H 1 1.368 0.01 . . . . . . 24 LYS HG2 . 6732 1 230 . 1 1 24 24 LYS HG3 H 1 1.368 0.01 . . . . . . 24 LYS HG3 . 6732 1 231 . 1 1 24 24 LYS HD2 H 1 1.766 0.033 . . . . . . 24 LYS HD2 . 6732 1 232 . 1 1 24 24 LYS HD3 H 1 1.766 0.033 . . . . . . 24 LYS HD3 . 6732 1 233 . 1 1 24 24 LYS HE2 H 1 2.998 0.01 . . . . . . 24 LYS HE2 . 6732 1 234 . 1 1 24 24 LYS HE3 H 1 2.998 0.01 . . . . . . 24 LYS HE3 . 6732 1 235 . 1 1 24 24 LYS C C 13 173.848 0 . . . . . . 24 LYS C . 6732 1 236 . 1 1 24 24 LYS CA C 13 54.258 0 . . . . . . 24 LYS CA . 6732 1 237 . 1 1 24 24 LYS CB C 13 35.979 0.168 . . . . . . 24 LYS CB . 6732 1 238 . 1 1 24 24 LYS CG C 13 24.711 0.031 . . . . . . 24 LYS CG . 6732 1 239 . 1 1 24 24 LYS CD C 13 35.862 0.088 . . . . . . 24 LYS CD . 6732 1 240 . 1 1 24 24 LYS CE C 13 42.512 0 . . . . . . 24 LYS CE . 6732 1 241 . 1 1 24 24 LYS N N 15 119.782 0.069 . . . . . . 24 LYS N . 6732 1 242 . 1 1 25 25 GLY H H 1 7.907 0.016 . . . . . . 25 GLY H . 6732 1 243 . 1 1 25 25 GLY HA2 H 1 3.946 0.02 . . . . . . 25 GLY HA2 . 6732 1 244 . 1 1 25 25 GLY HA3 H 1 3.946 0.02 . . . . . . 25 GLY HA3 . 6732 1 245 . 1 1 25 25 GLY CA C 13 45.192 0.174 . . . . . . 25 GLY CA . 6732 1 246 . 1 1 25 25 GLY N N 15 112.748 0.081 . . . . . . 25 GLY N . 6732 1 247 . 1 1 27 27 LYS HA H 1 4.564 0 . . . . . . 27 LYS HA . 6732 1 248 . 1 1 27 27 LYS C C 13 172.909 0 . . . . . . 27 LYS C . 6732 1 249 . 1 1 28 28 GLN H H 1 7.38 0.021 . . . . . . 28 GLN H . 6732 1 250 . 1 1 28 28 GLN HA H 1 5.819 0.009 . . . . . . 28 GLN HA . 6732 1 251 . 1 1 28 28 GLN HB2 H 1 2.482 0.013 . . . . . . 28 GLN HB2 . 6732 1 252 . 1 1 28 28 GLN HB3 H 1 2.135 0.014 . . . . . . 28 GLN HB3 . 6732 1 253 . 1 1 28 28 GLN HG2 H 1 2.455 0.011 . . . . . . 28 GLN HG2 . 6732 1 254 . 1 1 28 28 GLN HG3 H 1 2.402 0.018 . . . . . . 28 GLN HG3 . 6732 1 255 . 1 1 28 28 GLN C C 13 172.821 0 . . . . . . 28 GLN C . 6732 1 256 . 1 1 28 28 GLN CA C 13 55.036 0.213 . . . . . . 28 GLN CA . 6732 1 257 . 1 1 28 28 GLN CB C 13 29.358 0.1 . . . . . . 28 GLN CB . 6732 1 258 . 1 1 28 28 GLN CG C 13 34.027 0.249 . . . . . . 28 GLN CG . 6732 1 259 . 1 1 28 28 GLN N N 15 122.76 0.061 . . . . . . 28 GLN N . 6732 1 260 . 1 1 29 29 TRP H H 1 7.489 0.01 . . . . . . 29 TRP H . 6732 1 261 . 1 1 29 29 TRP HA H 1 2.323 0.008 . . . . . . 29 TRP HA . 6732 1 262 . 1 1 29 29 TRP HB2 H 1 2.963 0.009 . . . . . . 29 TRP HB2 . 6732 1 263 . 1 1 29 29 TRP HB3 H 1 1.245 0.009 . . . . . . 29 TRP HB3 . 6732 1 264 . 1 1 29 29 TRP HE1 H 1 10.451 0.013 . . . . . . 29 TRP HE1 . 6732 1 265 . 1 1 29 29 TRP HZ2 H 1 6.945 0.015 . . . . . . 29 TRP HZ2 . 6732 1 266 . 1 1 29 29 TRP C C 13 171.945 -0.002 . . . . . . 29 TRP C . 6732 1 267 . 1 1 29 29 TRP CA C 13 63.747 0.282 . . . . . . 29 TRP CA . 6732 1 268 . 1 1 29 29 TRP CB C 13 29.389 0.046 . . . . . . 29 TRP CB . 6732 1 269 . 1 1 29 29 TRP N N 15 122.887 0.06 . . . . . . 29 TRP N . 6732 1 270 . 1 1 29 29 TRP NE1 N 15 128.977 0.045 . . . . . . 29 TRP NE1 . 6732 1 271 . 1 1 30 30 VAL H H 1 9.259 0.016 . . . . . . 30 VAL H . 6732 1 272 . 1 1 30 30 VAL HA H 1 3.331 0.008 . . . . . . 30 VAL HA . 6732 1 273 . 1 1 30 30 VAL HB H 1 2.05 0.007 . . . . . . 30 VAL HB . 6732 1 274 . 1 1 30 30 VAL HG11 H 1 0.954 0.01 . . . . . . 30 VAL HG1 . 6732 1 275 . 1 1 30 30 VAL HG12 H 1 0.954 0.01 . . . . . . 30 VAL HG1 . 6732 1 276 . 1 1 30 30 VAL HG13 H 1 0.954 0.01 . . . . . . 30 VAL HG1 . 6732 1 277 . 1 1 30 30 VAL HG21 H 1 0.698 0.008 . . . . . . 30 VAL HG2 . 6732 1 278 . 1 1 30 30 VAL HG22 H 1 0.698 0.008 . . . . . . 30 VAL HG2 . 6732 1 279 . 1 1 30 30 VAL HG23 H 1 0.698 0.008 . . . . . . 30 VAL HG2 . 6732 1 280 . 1 1 30 30 VAL C C 13 173.808 0.02 . . . . . . 30 VAL C . 6732 1 281 . 1 1 30 30 VAL CA C 13 64.777 0.296 . . . . . . 30 VAL CA . 6732 1 282 . 1 1 30 30 VAL CB C 13 31.058 0.028 . . . . . . 30 VAL CB . 6732 1 283 . 1 1 30 30 VAL CG1 C 13 22.056 0.251 . . . . . . 30 VAL CG1 . 6732 1 284 . 1 1 30 30 VAL CG2 C 13 20.539 0.091 . . . . . . 30 VAL CG2 . 6732 1 285 . 1 1 30 30 VAL N N 15 115.034 0.086 . . . . . . 30 VAL N . 6732 1 286 . 1 1 31 31 HIS H H 1 6.367 0.014 . . . . . . 31 HIS H . 6732 1 287 . 1 1 31 31 HIS HA H 1 4.362 0.012 . . . . . . 31 HIS HA . 6732 1 288 . 1 1 31 31 HIS HB2 H 1 3.183 0.007 . . . . . . 31 HIS HB2 . 6732 1 289 . 1 1 31 31 HIS HB3 H 1 2.981 0.021 . . . . . . 31 HIS HB3 . 6732 1 290 . 1 1 31 31 HIS C C 13 170.935 -0.002 . . . . . . 31 HIS C . 6732 1 291 . 1 1 31 31 HIS CA C 13 57.789 0.18 . . . . . . 31 HIS CA . 6732 1 292 . 1 1 31 31 HIS CB C 13 31.188 0 . . . . . . 31 HIS CB . 6732 1 293 . 1 1 31 31 HIS N N 15 118.073 0.07 . . . . . . 31 HIS N . 6732 1 294 . 1 1 32 32 ALA H H 1 7.868 0.015 . . . . . . 32 ALA H . 6732 1 295 . 1 1 32 32 ALA HA H 1 2.939 0.01 . . . . . . 32 ALA HA . 6732 1 296 . 1 1 32 32 ALA HB1 H 1 1.007 0 . . . . . . 32 ALA HB . 6732 1 297 . 1 1 32 32 ALA HB2 H 1 1.007 0 . . . . . . 32 ALA HB . 6732 1 298 . 1 1 32 32 ALA HB3 H 1 1.007 0 . . . . . . 32 ALA HB . 6732 1 299 . 1 1 32 32 ALA C C 13 173.195 0.021 . . . . . . 32 ALA C . 6732 1 300 . 1 1 32 32 ALA CA C 13 54.319 0.36 . . . . . . 32 ALA CA . 6732 1 301 . 1 1 32 32 ALA CB C 13 17.272 0 . . . . . . 32 ALA CB . 6732 1 302 . 1 1 32 32 ALA N N 15 126.582 0.103 . . . . . . 32 ALA N . 6732 1 303 . 1 1 33 33 ARG H H 1 7.731 0 . . . . . . 33 ARG H . 6732 1 304 . 1 1 33 33 ARG HA H 1 3.321 0.008 . . . . . . 33 ARG HA . 6732 1 305 . 1 1 33 33 ARG HB2 H 1 1.624 0 . . . . . . 33 ARG HB2 . 6732 1 306 . 1 1 33 33 ARG HB3 H 1 0.578 0 . . . . . . 33 ARG HB3 . 6732 1 307 . 1 1 33 33 ARG HG2 H 1 1.47 0 . . . . . . 33 ARG HG2 . 6732 1 308 . 1 1 33 33 ARG HG3 H 1 1.47 0 . . . . . . 33 ARG HG3 . 6732 1 309 . 1 1 33 33 ARG HD2 H 1 2.922 0.01 . . . . . . 33 ARG HD2 . 6732 1 310 . 1 1 33 33 ARG HD3 H 1 2.772 0.004 . . . . . . 33 ARG HD3 . 6732 1 311 . 1 1 33 33 ARG C C 13 169.8 0.004 . . . . . . 33 ARG C . 6732 1 312 . 1 1 33 33 ARG CA C 13 59.674 0.048 . . . . . . 33 ARG CA . 6732 1 313 . 1 1 33 33 ARG CB C 13 28.313 0.055 . . . . . . 33 ARG CB . 6732 1 314 . 1 1 33 33 ARG CG C 13 26.696 0.084 . . . . . . 33 ARG CG . 6732 1 315 . 1 1 33 33 ARG N N 15 119.61 0.008 . . . . . . 33 ARG N . 6732 1 316 . 1 1 34 34 TYR H H 1 7.914 0.016 . . . . . . 34 TYR H . 6732 1 317 . 1 1 34 34 TYR HA H 1 4.506 0.012 . . . . . . 34 TYR HA . 6732 1 318 . 1 1 34 34 TYR HB2 H 1 3.292 0.013 . . . . . . 34 TYR HB2 . 6732 1 319 . 1 1 34 34 TYR HB3 H 1 2.934 0.014 . . . . . . 34 TYR HB3 . 6732 1 320 . 1 1 34 34 TYR HD1 H 1 7.137 0.013 . . . . . . 34 TYR HD1 . 6732 1 321 . 1 1 34 34 TYR HD2 H 1 7.137 0.013 . . . . . . 34 TYR HD2 . 6732 1 322 . 1 1 34 34 TYR C C 13 172.611 -0.012 . . . . . . 34 TYR C . 6732 1 323 . 1 1 34 34 TYR CA C 13 59.226 0.274 . . . . . . 34 TYR CA . 6732 1 324 . 1 1 34 34 TYR CB C 13 36.953 0.327 . . . . . . 34 TYR CB . 6732 1 325 . 1 1 34 34 TYR N N 15 118.631 0.083 . . . . . . 34 TYR N . 6732 1 326 . 1 1 35 35 ALA H H 1 7.878 0 . . . . . . 35 ALA H . 6732 1 327 . 1 1 35 35 ALA HA H 1 4.168 0.006 . . . . . . 35 ALA HA . 6732 1 328 . 1 1 35 35 ALA HB1 H 1 1.236 0.006 . . . . . . 35 ALA HB . 6732 1 329 . 1 1 35 35 ALA HB2 H 1 1.236 0.006 . . . . . . 35 ALA HB . 6732 1 330 . 1 1 35 35 ALA HB3 H 1 1.236 0.006 . . . . . . 35 ALA HB . 6732 1 331 . 1 1 35 35 ALA C C 13 168.372 -3.99 . . . . . . 35 ALA C . 6732 1 332 . 1 1 35 35 ALA CA C 13 54.676 0.129 . . . . . . 35 ALA CA . 6732 1 333 . 1 1 35 35 ALA CB C 13 16.992 0.239 . . . . . . 35 ALA CB . 6732 1 334 . 1 1 35 35 ALA N N 15 122.364 0.015 . . . . . . 35 ALA N . 6732 1 335 . 1 1 36 36 CYS H H 1 7.872 0.019 . . . . . . 36 CYS H . 6732 1 336 . 1 1 36 36 CYS HA H 1 4.558 0.012 . . . . . . 36 CYS HA . 6732 1 337 . 1 1 36 36 CYS HB2 H 1 2.887 0.011 . . . . . . 36 CYS HB2 . 6732 1 338 . 1 1 36 36 CYS HB3 H 1 2.589 0.009 . . . . . . 36 CYS HB3 . 6732 1 339 . 1 1 36 36 CYS C C 13 172.564 -0.003 . . . . . . 36 CYS C . 6732 1 340 . 1 1 36 36 CYS CA C 13 55.404 0.284 . . . . . . 36 CYS CA . 6732 1 341 . 1 1 36 36 CYS CB C 13 36.148 0.004 . . . . . . 36 CYS CB . 6732 1 342 . 1 1 36 36 CYS N N 15 114.073 0.05 . . . . . . 36 CYS N . 6732 1 343 . 1 1 37 37 ASP H H 1 8.043 0.006 . . . . . . 37 ASP H . 6732 1 344 . 1 1 37 37 ASP HA H 1 4.755 0.008 . . . . . . 37 ASP HA . 6732 1 345 . 1 1 37 37 ASP HB2 H 1 2.93 0.024 . . . . . . 37 ASP HB2 . 6732 1 346 . 1 1 37 37 ASP HB3 H 1 2.856 0.005 . . . . . . 37 ASP HB3 . 6732 1 347 . 1 1 37 37 ASP C C 13 169.277 0 . . . . . . 37 ASP C . 6732 1 348 . 1 1 37 37 ASP CA C 13 57.489 0.189 . . . . . . 37 ASP CA . 6732 1 349 . 1 1 37 37 ASP CB C 13 40.635 0.258 . . . . . . 37 ASP CB . 6732 1 350 . 1 1 38 38 ASP H H 1 8.514 0.004 . . . . . . 38 ASP H . 6732 1 351 . 1 1 38 38 ASP HA H 1 4.527 0.006 . . . . . . 38 ASP HA . 6732 1 352 . 1 1 38 38 ASP HB2 H 1 2.776 0.011 . . . . . . 38 ASP HB2 . 6732 1 353 . 1 1 38 38 ASP HB3 H 1 2.776 0.011 . . . . . . 38 ASP HB3 . 6732 1 354 . 1 1 38 38 ASP C C 13 172.694 0.046 . . . . . . 38 ASP C . 6732 1 355 . 1 1 38 38 ASP CA C 13 56.569 0.103 . . . . . . 38 ASP CA . 6732 1 356 . 1 1 38 38 ASP CB C 13 40.453 0 . . . . . . 38 ASP CB . 6732 1 357 . 1 1 38 38 ASP N N 15 120.291 0.081 . . . . . . 38 ASP N . 6732 1 358 . 1 1 39 39 MET H H 1 7.428 0.008 . . . . . . 39 MET H . 6732 1 359 . 1 1 39 39 MET HA H 1 4.696 0.005 . . . . . . 39 MET HA . 6732 1 360 . 1 1 39 39 MET HB2 H 1 2.666 0.007 . . . . . . 39 MET HB2 . 6732 1 361 . 1 1 39 39 MET HB3 H 1 2.666 0.007 . . . . . . 39 MET HB3 . 6732 1 362 . 1 1 39 39 MET HG2 H 1 2.15 0.017 . . . . . . 39 MET HG2 . 6732 1 363 . 1 1 39 39 MET HG3 H 1 2.15 0.017 . . . . . . 39 MET HG3 . 6732 1 364 . 1 1 39 39 MET C C 13 175.792 0.021 . . . . . . 39 MET C . 6732 1 365 . 1 1 39 39 MET CA C 13 54.603 0 . . . . . . 39 MET CA . 6732 1 366 . 1 1 39 39 MET CB C 13 31.553 0.226 . . . . . . 39 MET CB . 6732 1 367 . 1 1 39 39 MET CG C 13 29.912 0.023 . . . . . . 39 MET CG . 6732 1 368 . 1 1 39 39 MET N N 15 116.815 0.109 . . . . . . 39 MET N . 6732 1 369 . 1 1 40 40 GLU H H 1 8.074 0.011 . . . . . . 40 GLU H . 6732 1 370 . 1 1 40 40 GLU HA H 1 4.048 0.007 . . . . . . 40 GLU HA . 6732 1 371 . 1 1 40 40 GLU HB2 H 1 2.217 0.004 . . . . . . 40 GLU HB2 . 6732 1 372 . 1 1 40 40 GLU HB3 H 1 2.217 0.004 . . . . . . 40 GLU HB3 . 6732 1 373 . 1 1 40 40 GLU HG2 H 1 2.214 0.009 . . . . . . 40 GLU HG2 . 6732 1 374 . 1 1 40 40 GLU HG3 H 1 2.214 0.009 . . . . . . 40 GLU HG3 . 6732 1 375 . 1 1 40 40 GLU C C 13 174.654 0.019 . . . . . . 40 GLU C . 6732 1 376 . 1 1 40 40 GLU CA C 13 57.433 0.249 . . . . . . 40 GLU CA . 6732 1 377 . 1 1 40 40 GLU CB C 13 26.68 0.01 . . . . . . 40 GLU CB . 6732 1 378 . 1 1 40 40 GLU CG C 13 37.413 0.5 . . . . . . 40 GLU CG . 6732 1 379 . 1 1 40 40 GLU N N 15 112.921 0.09 . . . . . . 40 GLU N . 6732 1 380 . 1 1 41 41 GLY H H 1 8.061 0.014 . . . . . . 41 GLY H . 6732 1 381 . 1 1 41 41 GLY HA2 H 1 4.957 0.008 . . . . . . 41 GLY HA2 . 6732 1 382 . 1 1 41 41 GLY HA3 H 1 3.649 0.004 . . . . . . 41 GLY HA3 . 6732 1 383 . 1 1 41 41 GLY C C 13 177.948 0.113 . . . . . . 41 GLY C . 6732 1 384 . 1 1 41 41 GLY CA C 13 44.607 0.146 . . . . . . 41 GLY CA . 6732 1 385 . 1 1 41 41 GLY N N 15 105.816 0.113 . . . . . . 41 GLY N . 6732 1 386 . 1 1 42 42 GLN H H 1 8.998 0.012 . . . . . . 42 GLN H . 6732 1 387 . 1 1 42 42 GLN HA H 1 5.094 0.008 . . . . . . 42 GLN HA . 6732 1 388 . 1 1 42 42 GLN HB2 H 1 2.247 0.01 . . . . . . 42 GLN HB2 . 6732 1 389 . 1 1 42 42 GLN HB3 H 1 2.047 0.013 . . . . . . 42 GLN HB3 . 6732 1 390 . 1 1 42 42 GLN HG2 H 1 2.452 0.01 . . . . . . 42 GLN HG2 . 6732 1 391 . 1 1 42 42 GLN HG3 H 1 2.452 0.01 . . . . . . 42 GLN HG3 . 6732 1 392 . 1 1 42 42 GLN HE21 H 1 7.903 0.019 . . . . . . 42 GLN HE21 . 6732 1 393 . 1 1 42 42 GLN HE22 H 1 6.646 0.014 . . . . . . 42 GLN HE22 . 6732 1 394 . 1 1 42 42 GLN C C 13 174.521 0.039 . . . . . . 42 GLN C . 6732 1 395 . 1 1 42 42 GLN CA C 13 53.853 0.209 . . . . . . 42 GLN CA . 6732 1 396 . 1 1 42 42 GLN CB C 13 32.916 0.321 . . . . . . 42 GLN CB . 6732 1 397 . 1 1 42 42 GLN CG C 13 33.857 0.115 . . . . . . 42 GLN CG . 6732 1 398 . 1 1 42 42 GLN N N 15 116.419 0.091 . . . . . . 42 GLN N . 6732 1 399 . 1 1 42 42 GLN NE2 N 15 112.011 0.092 . . . . . . 42 GLN NE2 . 6732 1 400 . 1 1 43 43 LEU H H 1 8.592 0.015 . . . . . . 43 LEU H . 6732 1 401 . 1 1 43 43 LEU HA H 1 4.943 0.009 . . . . . . 43 LEU HA . 6732 1 402 . 1 1 43 43 LEU HB2 H 1 1.454 0.019 . . . . . . 43 LEU HB2 . 6732 1 403 . 1 1 43 43 LEU HB3 H 1 1.377 0.015 . . . . . . 43 LEU HB3 . 6732 1 404 . 1 1 43 43 LEU HG H 1 0.638 0.006 . . . . . . 43 LEU HG . 6732 1 405 . 1 1 43 43 LEU HD11 H 1 0.286 0.017 . . . . . . 43 LEU HD1 . 6732 1 406 . 1 1 43 43 LEU HD12 H 1 0.286 0.017 . . . . . . 43 LEU HD1 . 6732 1 407 . 1 1 43 43 LEU HD13 H 1 0.286 0.017 . . . . . . 43 LEU HD1 . 6732 1 408 . 1 1 43 43 LEU HD21 H 1 0.243 0.018 . . . . . . 43 LEU HD2 . 6732 1 409 . 1 1 43 43 LEU HD22 H 1 0.243 0.018 . . . . . . 43 LEU HD2 . 6732 1 410 . 1 1 43 43 LEU HD23 H 1 0.243 0.018 . . . . . . 43 LEU HD2 . 6732 1 411 . 1 1 43 43 LEU C C 13 172.194 0.051 . . . . . . 43 LEU C . 6732 1 412 . 1 1 43 43 LEU CA C 13 56.728 0.317 . . . . . . 43 LEU CA . 6732 1 413 . 1 1 43 43 LEU CB C 13 44.211 0.076 . . . . . . 43 LEU CB . 6732 1 414 . 1 1 43 43 LEU CG C 13 24.979 0.237 . . . . . . 43 LEU CG . 6732 1 415 . 1 1 43 43 LEU CD1 C 13 25.176 0.06 . . . . . . 43 LEU CD1 . 6732 1 416 . 1 1 43 43 LEU CD2 C 13 25.2 0.02 . . . . . . 43 LEU CD2 . 6732 1 417 . 1 1 43 43 LEU N N 15 124.969 0.075 . . . . . . 43 LEU N . 6732 1 418 . 1 1 44 44 VAL H H 1 8.41 0.078 . . . . . . 44 VAL H . 6732 1 419 . 1 1 44 44 VAL HA H 1 4.018 0.008 . . . . . . 44 VAL HA . 6732 1 420 . 1 1 44 44 VAL HB H 1 1.869 0.008 . . . . . . 44 VAL HB . 6732 1 421 . 1 1 44 44 VAL HG11 H 1 1.342 0.01 . . . . . . 44 VAL HG1 . 6732 1 422 . 1 1 44 44 VAL HG12 H 1 1.342 0.01 . . . . . . 44 VAL HG1 . 6732 1 423 . 1 1 44 44 VAL HG13 H 1 1.342 0.01 . . . . . . 44 VAL HG1 . 6732 1 424 . 1 1 44 44 VAL HG21 H 1 1.12 0.009 . . . . . . 44 VAL HG2 . 6732 1 425 . 1 1 44 44 VAL HG22 H 1 1.12 0.009 . . . . . . 44 VAL HG2 . 6732 1 426 . 1 1 44 44 VAL HG23 H 1 1.12 0.009 . . . . . . 44 VAL HG2 . 6732 1 427 . 1 1 44 44 VAL C C 13 177.299 0.13 . . . . . . 44 VAL C . 6732 1 428 . 1 1 44 44 VAL CA C 13 61.475 0.266 . . . . . . 44 VAL CA . 6732 1 429 . 1 1 44 44 VAL CB C 13 33.373 0.416 . . . . . . 44 VAL CB . 6732 1 430 . 1 1 44 44 VAL CG1 C 13 22.432 0.066 . . . . . . 44 VAL CG1 . 6732 1 431 . 1 1 44 44 VAL CG2 C 13 22.528 0.084 . . . . . . 44 VAL CG2 . 6732 1 432 . 1 1 44 44 VAL N N 15 120.789 0.162 . . . . . . 44 VAL N . 6732 1 433 . 1 1 45 45 SER H H 1 8.052 0.014 . . . . . . 45 SER H . 6732 1 434 . 1 1 45 45 SER HA H 1 4.37 0.007 . . . . . . 45 SER HA . 6732 1 435 . 1 1 45 45 SER HB2 H 1 3.242 0.008 . . . . . . 45 SER HB2 . 6732 1 436 . 1 1 45 45 SER HB3 H 1 2.811 0.012 . . . . . . 45 SER HB3 . 6732 1 437 . 1 1 45 45 SER C C 13 177.795 0.073 . . . . . . 45 SER C . 6732 1 438 . 1 1 45 45 SER CA C 13 56.468 0.288 . . . . . . 45 SER CA . 6732 1 439 . 1 1 45 45 SER CB C 13 65.049 0.31 . . . . . . 45 SER CB . 6732 1 440 . 1 1 45 45 SER N N 15 120.786 0.057 . . . . . . 45 SER N . 6732 1 441 . 1 1 46 46 ILE H H 1 3.484 0.011 . . . . . . 46 ILE H . 6732 1 442 . 1 1 46 46 ILE HA H 1 4.074 0.018 . . . . . . 46 ILE HA . 6732 1 443 . 1 1 46 46 ILE HB H 1 1.972 0.011 . . . . . . 46 ILE HB . 6732 1 444 . 1 1 46 46 ILE HG12 H 1 1.273 0.009 . . . . . . 46 ILE HG12 . 6732 1 445 . 1 1 46 46 ILE HG13 H 1 0.663 0.007 . . . . . . 46 ILE HG13 . 6732 1 446 . 1 1 46 46 ILE HG21 H 1 1.137 0.01 . . . . . . 46 ILE HG2 . 6732 1 447 . 1 1 46 46 ILE HG22 H 1 1.137 0.01 . . . . . . 46 ILE HG2 . 6732 1 448 . 1 1 46 46 ILE HG23 H 1 1.137 0.01 . . . . . . 46 ILE HG2 . 6732 1 449 . 1 1 46 46 ILE HD11 H 1 1.137 0.01 . . . . . . 46 ILE HD1 . 6732 1 450 . 1 1 46 46 ILE HD12 H 1 1.137 0.01 . . . . . . 46 ILE HD1 . 6732 1 451 . 1 1 46 46 ILE HD13 H 1 1.137 0.01 . . . . . . 46 ILE HD1 . 6732 1 452 . 1 1 46 46 ILE C C 13 174.131 0.013 . . . . . . 46 ILE C . 6732 1 453 . 1 1 46 46 ILE CA C 13 60.789 0.246 . . . . . . 46 ILE CA . 6732 1 454 . 1 1 46 46 ILE CB C 13 38.959 0.3 . . . . . . 46 ILE CB . 6732 1 455 . 1 1 46 46 ILE CG1 C 13 14.848 0.012 . . . . . . 46 ILE CG1 . 6732 1 456 . 1 1 46 46 ILE CG2 C 13 18.054 0.093 . . . . . . 46 ILE CG2 . 6732 1 457 . 1 1 46 46 ILE N N 15 117.834 0.047 . . . . . . 46 ILE N . 6732 1 458 . 1 1 47 47 HIS H H 1 8.774 0.013 . . . . . . 47 HIS H . 6732 1 459 . 1 1 47 47 HIS HA H 1 5.23 0.008 . . . . . . 47 HIS HA . 6732 1 460 . 1 1 47 47 HIS HB2 H 1 2.988 0.017 . . . . . . 47 HIS HB2 . 6732 1 461 . 1 1 47 47 HIS HB3 H 1 2.988 0.017 . . . . . . 47 HIS HB3 . 6732 1 462 . 1 1 47 47 HIS C C 13 176.929 0 . . . . . . 47 HIS C . 6732 1 463 . 1 1 47 47 HIS CA C 13 55.653 0.114 . . . . . . 47 HIS CA . 6732 1 464 . 1 1 47 47 HIS CB C 13 31.084 0.075 . . . . . . 47 HIS CB . 6732 1 465 . 1 1 47 47 HIS N N 15 120.905 0.103 . . . . . . 47 HIS N . 6732 1 466 . 1 1 48 48 SER H H 1 7.181 0.021 . . . . . . 48 SER H . 6732 1 467 . 1 1 48 48 SER HA H 1 4.715 0.015 . . . . . . 48 SER HA . 6732 1 468 . 1 1 48 48 SER HB2 H 1 4.36 0.004 . . . . . . 48 SER HB2 . 6732 1 469 . 1 1 48 48 SER HB3 H 1 4.134 0.004 . . . . . . 48 SER HB3 . 6732 1 470 . 1 1 48 48 SER CB C 13 63.965 0.16 . . . . . . 48 SER CB . 6732 1 471 . 1 1 48 48 SER N N 15 111.799 0.113 . . . . . . 48 SER N . 6732 1 472 . 1 1 49 49 PRO HA H 1 4.407 0.023 . . . . . . 49 PRO HA . 6732 1 473 . 1 1 49 49 PRO HB2 H 1 2.291 0.012 . . . . . . 49 PRO HB2 . 6732 1 474 . 1 1 49 49 PRO HB3 H 1 1.962 0.022 . . . . . . 49 PRO HB3 . 6732 1 475 . 1 1 49 49 PRO HG2 H 1 1.989 0.023 . . . . . . 49 PRO HG2 . 6732 1 476 . 1 1 49 49 PRO HG3 H 1 1.989 0.023 . . . . . . 49 PRO HG3 . 6732 1 477 . 1 1 49 49 PRO HD2 H 1 3.582 0.013 . . . . . . 49 PRO HD2 . 6732 1 478 . 1 1 49 49 PRO HD3 H 1 3.582 0.013 . . . . . . 49 PRO HD3 . 6732 1 479 . 1 1 49 49 PRO C C 13 171.013 0 . . . . . . 49 PRO C . 6732 1 480 . 1 1 49 49 PRO CA C 13 63.46 0.495 . . . . . . 49 PRO CA . 6732 1 481 . 1 1 49 49 PRO CB C 13 31.293 0.14 . . . . . . 49 PRO CB . 6732 1 482 . 1 1 49 49 PRO CG C 13 27.836 0.229 . . . . . . 49 PRO CG . 6732 1 483 . 1 1 49 49 PRO CD C 13 50.572 0.272 . . . . . . 49 PRO CD . 6732 1 484 . 1 1 50 50 GLU H H 1 8.88 0.015 . . . . . . 50 GLU H . 6732 1 485 . 1 1 50 50 GLU HA H 1 4.157 0.01 . . . . . . 50 GLU HA . 6732 1 486 . 1 1 50 50 GLU HB2 H 1 2.296 0.009 . . . . . . 50 GLU HB2 . 6732 1 487 . 1 1 50 50 GLU HB3 H 1 2.196 0.008 . . . . . . 50 GLU HB3 . 6732 1 488 . 1 1 50 50 GLU HG2 H 1 2.695 0.006 . . . . . . 50 GLU HG2 . 6732 1 489 . 1 1 50 50 GLU HG3 H 1 2.425 0.01 . . . . . . 50 GLU HG3 . 6732 1 490 . 1 1 50 50 GLU C C 13 170.454 -0.014 . . . . . . 50 GLU C . 6732 1 491 . 1 1 50 50 GLU CA C 13 60.613 0.121 . . . . . . 50 GLU CA . 6732 1 492 . 1 1 50 50 GLU CB C 13 28.237 0.265 . . . . . . 50 GLU CB . 6732 1 493 . 1 1 50 50 GLU CG C 13 37.124 0.027 . . . . . . 50 GLU CG . 6732 1 494 . 1 1 50 50 GLU N N 15 118.771 0.125 . . . . . . 50 GLU N . 6732 1 495 . 1 1 51 51 GLU H H 1 7.82 0.017 . . . . . . 51 GLU H . 6732 1 496 . 1 1 51 51 GLU HA H 1 3.922 0.012 . . . . . . 51 GLU HA . 6732 1 497 . 1 1 51 51 GLU HB2 H 1 2.139 0.033 . . . . . . 51 GLU HB2 . 6732 1 498 . 1 1 51 51 GLU HB3 H 1 2.139 0.033 . . . . . . 51 GLU HB3 . 6732 1 499 . 1 1 51 51 GLU HG2 H 1 2.415 0.013 . . . . . . 51 GLU HG2 . 6732 1 500 . 1 1 51 51 GLU HG3 H 1 2.415 0.013 . . . . . . 51 GLU HG3 . 6732 1 501 . 1 1 51 51 GLU C C 13 172.388 -0.002 . . . . . . 51 GLU C . 6732 1 502 . 1 1 51 51 GLU CA C 13 59.209 0.241 . . . . . . 51 GLU CA . 6732 1 503 . 1 1 51 51 GLU CB C 13 28.547 0 . . . . . . 51 GLU CB . 6732 1 504 . 1 1 51 51 GLU CG C 13 36.085 0.084 . . . . . . 51 GLU CG . 6732 1 505 . 1 1 51 51 GLU N N 15 121.457 0.07 . . . . . . 51 GLU N . 6732 1 506 . 1 1 52 52 GLN H H 1 7.718 0.014 . . . . . . 52 GLN H . 6732 1 507 . 1 1 52 52 GLN HA H 1 4.048 0.009 . . . . . . 52 GLN HA . 6732 1 508 . 1 1 52 52 GLN HB2 H 1 2.276 0.031 . . . . . . 52 GLN HB2 . 6732 1 509 . 1 1 52 52 GLN HB3 H 1 2.276 0.031 . . . . . . 52 GLN HB3 . 6732 1 510 . 1 1 52 52 GLN HG2 H 1 2.858 0.016 . . . . . . 52 GLN HG2 . 6732 1 511 . 1 1 52 52 GLN HG3 H 1 2.192 0.02 . . . . . . 52 GLN HG3 . 6732 1 512 . 1 1 52 52 GLN HE21 H 1 7.091 0.015 . . . . . . 52 GLN HE21 . 6732 1 513 . 1 1 52 52 GLN HE22 H 1 6.483 0.014 . . . . . . 52 GLN HE22 . 6732 1 514 . 1 1 52 52 GLN C C 13 172.182 0.003 . . . . . . 52 GLN C . 6732 1 515 . 1 1 52 52 GLN CA C 13 58.518 0.067 . . . . . . 52 GLN CA . 6732 1 516 . 1 1 52 52 GLN CB C 13 29.641 0 . . . . . . 52 GLN CB . 6732 1 517 . 1 1 52 52 GLN CG C 13 34.086 0.237 . . . . . . 52 GLN CG . 6732 1 518 . 1 1 52 52 GLN N N 15 118.067 0.08 . . . . . . 52 GLN N . 6732 1 519 . 1 1 52 52 GLN NE2 N 15 115.2 0.091 . . . . . . 52 GLN NE2 . 6732 1 520 . 1 1 53 53 ASP H H 1 8.553 0.013 . . . . . . 53 ASP H . 6732 1 521 . 1 1 53 53 ASP HA H 1 4.34 0.008 . . . . . . 53 ASP HA . 6732 1 522 . 1 1 53 53 ASP HB2 H 1 2.757 0.004 . . . . . . 53 ASP HB2 . 6732 1 523 . 1 1 53 53 ASP HB3 H 1 2.637 0.007 . . . . . . 53 ASP HB3 . 6732 1 524 . 1 1 53 53 ASP C C 13 171.5 0.001 . . . . . . 53 ASP C . 6732 1 525 . 1 1 53 53 ASP CA C 13 57.398 0.063 . . . . . . 53 ASP CA . 6732 1 526 . 1 1 53 53 ASP CB C 13 40.936 0.063 . . . . . . 53 ASP CB . 6732 1 527 . 1 1 53 53 ASP N N 15 119.659 0.06 . . . . . . 53 ASP N . 6732 1 528 . 1 1 54 54 PHE H H 1 7.335 0.013 . . . . . . 54 PHE H . 6732 1 529 . 1 1 54 54 PHE HA H 1 3.93 0.007 . . . . . . 54 PHE HA . 6732 1 530 . 1 1 54 54 PHE HB2 H 1 2.406 0.011 . . . . . . 54 PHE HB2 . 6732 1 531 . 1 1 54 54 PHE HB3 H 1 1.992 0.008 . . . . . . 54 PHE HB3 . 6732 1 532 . 1 1 54 54 PHE HD1 H 1 6.71 0.017 . . . . . . 54 PHE HD1 . 6732 1 533 . 1 1 54 54 PHE HD2 H 1 6.695 0.002 . . . . . . 54 PHE HD2 . 6732 1 534 . 1 1 54 54 PHE HE1 H 1 7.047 0.021 . . . . . . 54 PHE HE1 . 6732 1 535 . 1 1 54 54 PHE HE2 H 1 7.047 0.021 . . . . . . 54 PHE HE2 . 6732 1 536 . 1 1 54 54 PHE C C 13 173.225 0.069 . . . . . . 54 PHE C . 6732 1 537 . 1 1 54 54 PHE CA C 13 61.143 0.136 . . . . . . 54 PHE CA . 6732 1 538 . 1 1 54 54 PHE CB C 13 37.721 0.012 . . . . . . 54 PHE CB . 6732 1 539 . 1 1 54 54 PHE N N 15 120.507 0.076 . . . . . . 54 PHE N . 6732 1 540 . 1 1 55 55 LEU H H 1 7.988 0.013 . . . . . . 55 LEU H . 6732 1 541 . 1 1 55 55 LEU HA H 1 3.621 0.011 . . . . . . 55 LEU HA . 6732 1 542 . 1 1 55 55 LEU HB2 H 1 2.204 0.018 . . . . . . 55 LEU HB2 . 6732 1 543 . 1 1 55 55 LEU HB3 H 1 1.197 0.008 . . . . . . 55 LEU HB3 . 6732 1 544 . 1 1 55 55 LEU HG H 1 2.017 0.018 . . . . . . 55 LEU HG . 6732 1 545 . 1 1 55 55 LEU HD11 H 1 0.973 0.005 . . . . . . 55 LEU HD1 . 6732 1 546 . 1 1 55 55 LEU HD12 H 1 0.973 0.005 . . . . . . 55 LEU HD1 . 6732 1 547 . 1 1 55 55 LEU HD13 H 1 0.973 0.005 . . . . . . 55 LEU HD1 . 6732 1 548 . 1 1 55 55 LEU HD21 H 1 0.94 0.008 . . . . . . 55 LEU HD2 . 6732 1 549 . 1 1 55 55 LEU HD22 H 1 0.94 0.008 . . . . . . 55 LEU HD2 . 6732 1 550 . 1 1 55 55 LEU HD23 H 1 0.94 0.008 . . . . . . 55 LEU HD2 . 6732 1 551 . 1 1 55 55 LEU C C 13 170.284 -0.007 . . . . . . 55 LEU C . 6732 1 552 . 1 1 55 55 LEU CA C 13 57.949 0.079 . . . . . . 55 LEU CA . 6732 1 553 . 1 1 55 55 LEU CB C 13 41.877 0.05 . . . . . . 55 LEU CB . 6732 1 554 . 1 1 55 55 LEU CG C 13 27.03 0.27 . . . . . . 55 LEU CG . 6732 1 555 . 1 1 55 55 LEU CD1 C 13 27.796 0.033 . . . . . . 55 LEU CD1 . 6732 1 556 . 1 1 55 55 LEU CD2 C 13 24.538 0.024 . . . . . . 55 LEU CD2 . 6732 1 557 . 1 1 55 55 LEU N N 15 119.951 0.081 . . . . . . 55 LEU N . 6732 1 558 . 1 1 56 56 THR H H 1 8.961 0.013 . . . . . . 56 THR H . 6732 1 559 . 1 1 56 56 THR HA H 1 3.62 0.008 . . . . . . 56 THR HA . 6732 1 560 . 1 1 56 56 THR HB H 1 4.242 0.011 . . . . . . 56 THR HB . 6732 1 561 . 1 1 56 56 THR HG1 H 1 5.196 0.007 . . . . . . 56 THR HG1 . 6732 1 562 . 1 1 56 56 THR HG21 H 1 1.111 0.012 . . . . . . 56 THR HG2 . 6732 1 563 . 1 1 56 56 THR HG22 H 1 1.111 0.012 . . . . . . 56 THR HG2 . 6732 1 564 . 1 1 56 56 THR HG23 H 1 1.111 0.012 . . . . . . 56 THR HG2 . 6732 1 565 . 1 1 56 56 THR C C 13 173.787 0.006 . . . . . . 56 THR C . 6732 1 566 . 1 1 56 56 THR CA C 13 65.831 0.252 . . . . . . 56 THR CA . 6732 1 567 . 1 1 56 56 THR CB C 13 68.259 0.061 . . . . . . 56 THR CB . 6732 1 568 . 1 1 56 56 THR CG2 C 13 22.913 0 . . . . . . 56 THR CG2 . 6732 1 569 . 1 1 56 56 THR N N 15 115.848 0.079 . . . . . . 56 THR N . 6732 1 570 . 1 1 57 57 LYS H H 1 7.237 0.014 . . . . . . 57 LYS H . 6732 1 571 . 1 1 57 57 LYS HA H 1 3.802 0.023 . . . . . . 57 LYS HA . 6732 1 572 . 1 1 57 57 LYS HB2 H 1 1.542 0.01 . . . . . . 57 LYS HB2 . 6732 1 573 . 1 1 57 57 LYS HB3 H 1 1.386 0.017 . . . . . . 57 LYS HB3 . 6732 1 574 . 1 1 57 57 LYS HG2 H 1 1.328 0.018 . . . . . . 57 LYS HG2 . 6732 1 575 . 1 1 57 57 LYS HG3 H 1 1.092 0.034 . . . . . . 57 LYS HG3 . 6732 1 576 . 1 1 57 57 LYS HD2 H 1 1.535 0 . . . . . . 57 LYS HD2 . 6732 1 577 . 1 1 57 57 LYS HD3 H 1 1.512 0.007 . . . . . . 57 LYS HD3 . 6732 1 578 . 1 1 57 57 LYS HE2 H 1 2.895 0.011 . . . . . . 57 LYS HE2 . 6732 1 579 . 1 1 57 57 LYS HE3 H 1 2.895 0.011 . . . . . . 57 LYS HE3 . 6732 1 580 . 1 1 57 57 LYS C C 13 173.015 0.015 . . . . . . 57 LYS C . 6732 1 581 . 1 1 57 57 LYS CA C 13 58.666 0.112 . . . . . . 57 LYS CA . 6732 1 582 . 1 1 57 57 LYS CB C 13 31.8 0 . . . . . . 57 LYS CB . 6732 1 583 . 1 1 57 57 LYS CG C 13 25 0 . . . . . . 57 LYS CG . 6732 1 584 . 1 1 57 57 LYS CD C 13 29 0 . . . . . . 57 LYS CD . 6732 1 585 . 1 1 57 57 LYS CE C 13 42 0 . . . . . . 57 LYS CE . 6732 1 586 . 1 1 57 57 LYS N N 15 118.583 0.047 . . . . . . 57 LYS N . 6732 1 587 . 1 1 58 58 HIS H H 1 6.722 0.014 . . . . . . 58 HIS H . 6732 1 588 . 1 1 58 58 HIS HA H 1 4.056 0.006 . . . . . . 58 HIS HA . 6732 1 589 . 1 1 58 58 HIS HB2 H 1 1.763 0.019 . . . . . . 58 HIS HB2 . 6732 1 590 . 1 1 58 58 HIS HB3 H 1 1.49 0.034 . . . . . . 58 HIS HB3 . 6732 1 591 . 1 1 58 58 HIS C C 13 175.977 0.056 . . . . . . 58 HIS C . 6732 1 592 . 1 1 58 58 HIS CA C 13 55.793 0.099 . . . . . . 58 HIS CA . 6732 1 593 . 1 1 58 58 HIS CB C 13 30.998 0.291 . . . . . . 58 HIS CB . 6732 1 594 . 1 1 58 58 HIS N N 15 115.1 0.073 . . . . . . 58 HIS N . 6732 1 595 . 1 1 59 59 ALA H H 1 7.344 0.019 . . . . . . 59 ALA H . 6732 1 596 . 1 1 59 59 ALA HA H 1 4.192 0.01 . . . . . . 59 ALA HA . 6732 1 597 . 1 1 59 59 ALA HB1 H 1 1.444 0.006 . . . . . . 59 ALA HB . 6732 1 598 . 1 1 59 59 ALA HB2 H 1 1.444 0.006 . . . . . . 59 ALA HB . 6732 1 599 . 1 1 59 59 ALA HB3 H 1 1.444 0.006 . . . . . . 59 ALA HB . 6732 1 600 . 1 1 59 59 ALA CA C 13 52.525 0.053 . . . . . . 59 ALA CA . 6732 1 601 . 1 1 59 59 ALA CB C 13 19.051 0.087 . . . . . . 59 ALA CB . 6732 1 602 . 1 1 59 59 ALA N N 15 122.757 0.095 . . . . . . 59 ALA N . 6732 1 603 . 1 1 60 60 SER H H 1 8.633 0.024 . . . . . . 60 SER H . 6732 1 604 . 1 1 60 60 SER N N 15 114.392 0.07 . . . . . . 60 SER N . 6732 1 605 . 1 1 62 62 THR C C 13 174.769 0 . . . . . . 62 THR C . 6732 1 606 . 1 1 63 63 GLY H H 1 7.059 0.015 . . . . . . 63 GLY H . 6732 1 607 . 1 1 63 63 GLY HA2 H 1 4.3 0.072 . . . . . . 63 GLY HA2 . 6732 1 608 . 1 1 63 63 GLY HA3 H 1 4.14 0.013 . . . . . . 63 GLY HA3 . 6732 1 609 . 1 1 63 63 GLY C C 13 177.101 0 . . . . . . 63 GLY C . 6732 1 610 . 1 1 63 63 GLY CA C 13 44.784 0 . . . . . . 63 GLY CA . 6732 1 611 . 1 1 63 63 GLY N N 15 109.216 0.037 . . . . . . 63 GLY N . 6732 1 612 . 1 1 64 64 SER H H 1 8.527 0.012 . . . . . . 64 SER H . 6732 1 613 . 1 1 64 64 SER HA H 1 5.18 0.012 . . . . . . 64 SER HA . 6732 1 614 . 1 1 64 64 SER HB2 H 1 3.701 0.01 . . . . . . 64 SER HB2 . 6732 1 615 . 1 1 64 64 SER HB3 H 1 3.499 0.015 . . . . . . 64 SER HB3 . 6732 1 616 . 1 1 64 64 SER C C 13 175.541 0.078 . . . . . . 64 SER C . 6732 1 617 . 1 1 64 64 SER CA C 13 56.257 0.135 . . . . . . 64 SER CA . 6732 1 618 . 1 1 64 64 SER CB C 13 66.487 0.276 . . . . . . 64 SER CB . 6732 1 619 . 1 1 64 64 SER N N 15 114.055 0.069 . . . . . . 64 SER N . 6732 1 620 . 1 1 65 65 TRP H H 1 8.355 0.017 . . . . . . 65 TRP H . 6732 1 621 . 1 1 65 65 TRP HA H 1 5.489 0.014 . . . . . . 65 TRP HA . 6732 1 622 . 1 1 65 65 TRP HB2 H 1 3.613 0.014 . . . . . . 65 TRP HB2 . 6732 1 623 . 1 1 65 65 TRP HB3 H 1 3.179 0.02 . . . . . . 65 TRP HB3 . 6732 1 624 . 1 1 65 65 TRP HD1 H 1 8.475 0.014 . . . . . . 65 TRP HD1 . 6732 1 625 . 1 1 65 65 TRP HE1 H 1 10.32 0.012 . . . . . . 65 TRP HE1 . 6732 1 626 . 1 1 65 65 TRP HE3 H 1 6.993 0.012 . . . . . . 65 TRP HE3 . 6732 1 627 . 1 1 65 65 TRP HZ2 H 1 8.571 0.015 . . . . . . 65 TRP HZ2 . 6732 1 628 . 1 1 65 65 TRP C C 13 174.412 0.008 . . . . . . 65 TRP C . 6732 1 629 . 1 1 65 65 TRP CA C 13 57.766 0.336 . . . . . . 65 TRP CA . 6732 1 630 . 1 1 65 65 TRP CB C 13 32.201 0.141 . . . . . . 65 TRP CB . 6732 1 631 . 1 1 65 65 TRP N N 15 124.335 0.128 . . . . . . 65 TRP N . 6732 1 632 . 1 1 65 65 TRP NE1 N 15 129.354 0.008 . . . . . . 65 TRP NE1 . 6732 1 633 . 1 1 66 66 ILE H H 1 8.17 0.023 . . . . . . 66 ILE H . 6732 1 634 . 1 1 66 66 ILE HA H 1 5.205 0.008 . . . . . . 66 ILE HA . 6732 1 635 . 1 1 66 66 ILE HB H 1 2.099 0.011 . . . . . . 66 ILE HB . 6732 1 636 . 1 1 66 66 ILE HG12 H 1 1.117 0.008 . . . . . . 66 ILE HG12 . 6732 1 637 . 1 1 66 66 ILE HG13 H 1 0.957 0.024 . . . . . . 66 ILE HG13 . 6732 1 638 . 1 1 66 66 ILE HG21 H 1 0.978 0.012 . . . . . . 66 ILE HG2 . 6732 1 639 . 1 1 66 66 ILE HG22 H 1 0.978 0.012 . . . . . . 66 ILE HG2 . 6732 1 640 . 1 1 66 66 ILE HG23 H 1 0.978 0.012 . . . . . . 66 ILE HG2 . 6732 1 641 . 1 1 66 66 ILE HD11 H 1 -0.066 0.012 . . . . . . 66 ILE HD1 . 6732 1 642 . 1 1 66 66 ILE HD12 H 1 -0.066 0.012 . . . . . . 66 ILE HD1 . 6732 1 643 . 1 1 66 66 ILE HD13 H 1 -0.066 0.012 . . . . . . 66 ILE HD1 . 6732 1 644 . 1 1 66 66 ILE C C 13 174.363 -0.041 . . . . . . 66 ILE C . 6732 1 645 . 1 1 66 66 ILE CA C 13 59.204 0.347 . . . . . . 66 ILE CA . 6732 1 646 . 1 1 66 66 ILE CB C 13 42.285 0 . . . . . . 66 ILE CB . 6732 1 647 . 1 1 66 66 ILE CG1 C 13 25.231 0.079 . . . . . . 66 ILE CG1 . 6732 1 648 . 1 1 66 66 ILE CG2 C 13 18.201 0.059 . . . . . . 66 ILE CG2 . 6732 1 649 . 1 1 66 66 ILE CD1 C 13 12.804 0.021 . . . . . . 66 ILE CD1 . 6732 1 650 . 1 1 66 66 ILE N N 15 110.173 0.091 . . . . . . 66 ILE N . 6732 1 651 . 1 1 67 67 GLY H H 1 9.536 0.023 . . . . . . 67 GLY H . 6732 1 652 . 1 1 67 67 GLY HA2 H 1 4.456 0.01 . . . . . . 67 GLY HA2 . 6732 1 653 . 1 1 67 67 GLY HA3 H 1 4.004 0.009 . . . . . . 67 GLY HA3 . 6732 1 654 . 1 1 67 67 GLY C C 13 177.424 0.057 . . . . . . 67 GLY C . 6732 1 655 . 1 1 67 67 GLY CA C 13 49.483 0.237 . . . . . . 67 GLY CA . 6732 1 656 . 1 1 67 67 GLY N N 15 110.026 0.105 . . . . . . 67 GLY N . 6732 1 657 . 1 1 68 68 LEU H H 1 7.377 0.014 . . . . . . 68 LEU H . 6732 1 658 . 1 1 68 68 LEU HA H 1 4.471 0.01 . . . . . . 68 LEU HA . 6732 1 659 . 1 1 68 68 LEU HB2 H 1 0.878 0.012 . . . . . . 68 LEU HB2 . 6732 1 660 . 1 1 68 68 LEU HB3 H 1 0.006 0.009 . . . . . . 68 LEU HB3 . 6732 1 661 . 1 1 68 68 LEU HG H 1 0.859 0.012 . . . . . . 68 LEU HG . 6732 1 662 . 1 1 68 68 LEU HD11 H 1 -0.24 0.01 . . . . . . 68 LEU HD1 . 6732 1 663 . 1 1 68 68 LEU HD12 H 1 -0.24 0.01 . . . . . . 68 LEU HD1 . 6732 1 664 . 1 1 68 68 LEU HD13 H 1 -0.24 0.01 . . . . . . 68 LEU HD1 . 6732 1 665 . 1 1 68 68 LEU HD21 H 1 -0.573 0.009 . . . . . . 68 LEU HD2 . 6732 1 666 . 1 1 68 68 LEU HD22 H 1 -0.573 0.009 . . . . . . 68 LEU HD2 . 6732 1 667 . 1 1 68 68 LEU HD23 H 1 -0.573 0.009 . . . . . . 68 LEU HD2 . 6732 1 668 . 1 1 68 68 LEU C C 13 177.019 0.03 . . . . . . 68 LEU C . 6732 1 669 . 1 1 68 68 LEU CA C 13 53.417 0.257 . . . . . . 68 LEU CA . 6732 1 670 . 1 1 68 68 LEU CB C 13 43.794 0.005 . . . . . . 68 LEU CB . 6732 1 671 . 1 1 68 68 LEU CG C 13 25.718 0.039 . . . . . . 68 LEU CG . 6732 1 672 . 1 1 68 68 LEU CD1 C 13 25.681 0.067 . . . . . . 68 LEU CD1 . 6732 1 673 . 1 1 68 68 LEU CD2 C 13 21.497 0.071 . . . . . . 68 LEU CD2 . 6732 1 674 . 1 1 68 68 LEU N N 15 125.309 0.159 . . . . . . 68 LEU N . 6732 1 675 . 1 1 69 69 ARG H H 1 7.585 0.011 . . . . . . 69 ARG H . 6732 1 676 . 1 1 69 69 ARG HA H 1 5.024 0.029 . . . . . . 69 ARG HA . 6732 1 677 . 1 1 69 69 ARG HB2 H 1 1.485 0.021 . . . . . . 69 ARG HB2 . 6732 1 678 . 1 1 69 69 ARG HB3 H 1 1.263 0.012 . . . . . . 69 ARG HB3 . 6732 1 679 . 1 1 69 69 ARG HG2 H 1 1.253 0.018 . . . . . . 69 ARG HG2 . 6732 1 680 . 1 1 69 69 ARG HG3 H 1 1.16 0.004 . . . . . . 69 ARG HG3 . 6732 1 681 . 1 1 69 69 ARG HD2 H 1 2.827 0.014 . . . . . . 69 ARG HD2 . 6732 1 682 . 1 1 69 69 ARG HD3 H 1 2.383 0.012 . . . . . . 69 ARG HD3 . 6732 1 683 . 1 1 69 69 ARG C C 13 176.123 0.064 . . . . . . 69 ARG C . 6732 1 684 . 1 1 69 69 ARG CA C 13 54.659 0 . . . . . . 69 ARG CA . 6732 1 685 . 1 1 69 69 ARG CB C 13 32.319 0.301 . . . . . . 69 ARG CB . 6732 1 686 . 1 1 69 69 ARG CG C 13 26.583 0.003 . . . . . . 69 ARG CG . 6732 1 687 . 1 1 69 69 ARG CD C 13 43.327 0 . . . . . . 69 ARG CD . 6732 1 688 . 1 1 69 69 ARG N N 15 120.324 0.078 . . . . . . 69 ARG N . 6732 1 689 . 1 1 70 70 ASN H H 1 8.856 0.031 . . . . . . 70 ASN H . 6732 1 690 . 1 1 70 70 ASN HA H 1 4.237 0.014 . . . . . . 70 ASN HA . 6732 1 691 . 1 1 70 70 ASN HB2 H 1 2.412 0.014 . . . . . . 70 ASN HB2 . 6732 1 692 . 1 1 70 70 ASN HB3 H 1 1.655 0.02 . . . . . . 70 ASN HB3 . 6732 1 693 . 1 1 70 70 ASN HD21 H 1 6.74 0.008 . . . . . . 70 ASN HD21 . 6732 1 694 . 1 1 70 70 ASN HD22 H 1 6.275 0.004 . . . . . . 70 ASN HD22 . 6732 1 695 . 1 1 70 70 ASN C C 13 175.356 0.051 . . . . . . 70 ASN C . 6732 1 696 . 1 1 70 70 ASN CA C 13 52.123 0.306 . . . . . . 70 ASN CA . 6732 1 697 . 1 1 70 70 ASN CB C 13 37.555 0.318 . . . . . . 70 ASN CB . 6732 1 698 . 1 1 70 70 ASN N N 15 122.302 0.102 . . . . . . 70 ASN N . 6732 1 699 . 1 1 70 70 ASN ND2 N 15 108.521 0.016 . . . . . . 70 ASN ND2 . 6732 1 700 . 1 1 71 71 LEU H H 1 7.829 0.009 . . . . . . 71 LEU H . 6732 1 701 . 1 1 71 71 LEU HA H 1 4.26 0.018 . . . . . . 71 LEU HA . 6732 1 702 . 1 1 71 71 LEU HB2 H 1 1.785 0.004 . . . . . . 71 LEU HB2 . 6732 1 703 . 1 1 71 71 LEU HB3 H 1 1.443 0.007 . . . . . . 71 LEU HB3 . 6732 1 704 . 1 1 71 71 LEU HG H 1 1.568 0.014 . . . . . . 71 LEU HG . 6732 1 705 . 1 1 71 71 LEU HD11 H 1 0.942 0.002 . . . . . . 71 LEU HD1 . 6732 1 706 . 1 1 71 71 LEU HD12 H 1 0.942 0.002 . . . . . . 71 LEU HD1 . 6732 1 707 . 1 1 71 71 LEU HD13 H 1 0.942 0.002 . . . . . . 71 LEU HD1 . 6732 1 708 . 1 1 71 71 LEU HD21 H 1 0.902 0.013 . . . . . . 71 LEU HD2 . 6732 1 709 . 1 1 71 71 LEU HD22 H 1 0.902 0.013 . . . . . . 71 LEU HD2 . 6732 1 710 . 1 1 71 71 LEU HD23 H 1 0.902 0.013 . . . . . . 71 LEU HD2 . 6732 1 711 . 1 1 71 71 LEU CA C 13 54.953 0 . . . . . . 71 LEU CA . 6732 1 712 . 1 1 71 71 LEU CB C 13 42.929 0.259 . . . . . . 71 LEU CB . 6732 1 713 . 1 1 71 71 LEU CG C 13 26.998 0 . . . . . . 71 LEU CG . 6732 1 714 . 1 1 71 71 LEU CD1 C 13 24.811 0 . . . . . . 71 LEU CD1 . 6732 1 715 . 1 1 71 71 LEU CD2 C 13 24.811 0 . . . . . . 71 LEU CD2 . 6732 1 716 . 1 1 71 71 LEU N N 15 127.365 0.129 . . . . . . 71 LEU N . 6732 1 717 . 1 1 73 73 LEU HA H 1 3.911 0.013 . . . . . . 73 LEU HA . 6732 1 718 . 1 1 73 73 LEU HB2 H 1 1.834 0.009 . . . . . . 73 LEU HB2 . 6732 1 719 . 1 1 73 73 LEU HB3 H 1 1.62 0.005 . . . . . . 73 LEU HB3 . 6732 1 720 . 1 1 73 73 LEU HG H 1 1.608 0.014 . . . . . . 73 LEU HG . 6732 1 721 . 1 1 73 73 LEU HD11 H 1 0.944 0.005 . . . . . . 73 LEU HD1 . 6732 1 722 . 1 1 73 73 LEU HD12 H 1 0.944 0.005 . . . . . . 73 LEU HD1 . 6732 1 723 . 1 1 73 73 LEU HD13 H 1 0.944 0.005 . . . . . . 73 LEU HD1 . 6732 1 724 . 1 1 73 73 LEU HD21 H 1 0.871 0.006 . . . . . . 73 LEU HD2 . 6732 1 725 . 1 1 73 73 LEU HD22 H 1 0.871 0.006 . . . . . . 73 LEU HD2 . 6732 1 726 . 1 1 73 73 LEU HD23 H 1 0.871 0.006 . . . . . . 73 LEU HD2 . 6732 1 727 . 1 1 73 73 LEU C C 13 172.104 0 . . . . . . 73 LEU C . 6732 1 728 . 1 1 73 73 LEU CA C 13 56.04 0.013 . . . . . . 73 LEU CA . 6732 1 729 . 1 1 73 73 LEU CB C 13 40.671 0 . . . . . . 73 LEU CB . 6732 1 730 . 1 1 73 73 LEU CG C 13 27.545 0 . . . . . . 73 LEU CG . 6732 1 731 . 1 1 73 73 LEU CD1 C 13 24.811 0 . . . . . . 73 LEU CD1 . 6732 1 732 . 1 1 73 73 LEU CD2 C 13 23.471 0 . . . . . . 73 LEU CD2 . 6732 1 733 . 1 1 74 74 LYS H H 1 7.761 0.01 . . . . . . 74 LYS H . 6732 1 734 . 1 1 74 74 LYS HA H 1 4.37 0.009 . . . . . . 74 LYS HA . 6732 1 735 . 1 1 74 74 LYS HB2 H 1 2.002 0.008 . . . . . . 74 LYS HB2 . 6732 1 736 . 1 1 74 74 LYS HB3 H 1 1.839 0.011 . . . . . . 74 LYS HB3 . 6732 1 737 . 1 1 74 74 LYS HG2 H 1 1.522 0.003 . . . . . . 74 LYS HG2 . 6732 1 738 . 1 1 74 74 LYS HG3 H 1 1.439 0.008 . . . . . . 74 LYS HG3 . 6732 1 739 . 1 1 74 74 LYS HD2 H 1 1.737 0.023 . . . . . . 74 LYS HD2 . 6732 1 740 . 1 1 74 74 LYS HD3 H 1 1.737 0.023 . . . . . . 74 LYS HD3 . 6732 1 741 . 1 1 74 74 LYS HE2 H 1 3.052 0.01 . . . . . . 74 LYS HE2 . 6732 1 742 . 1 1 74 74 LYS HE3 H 1 3.052 0.01 . . . . . . 74 LYS HE3 . 6732 1 743 . 1 1 74 74 LYS C C 13 172.461 0.089 . . . . . . 74 LYS C . 6732 1 744 . 1 1 74 74 LYS CA C 13 56.217 0 . . . . . . 74 LYS CA . 6732 1 745 . 1 1 74 74 LYS CB C 13 32.8 0 . . . . . . 74 LYS CB . 6732 1 746 . 1 1 74 74 LYS CG C 13 24.96 0.088 . . . . . . 74 LYS CG . 6732 1 747 . 1 1 74 74 LYS CD C 13 28.853 0.012 . . . . . . 74 LYS CD . 6732 1 748 . 1 1 74 74 LYS CE C 13 42.124 0.031 . . . . . . 74 LYS CE . 6732 1 749 . 1 1 74 74 LYS N N 15 116.804 0.077 . . . . . . 74 LYS N . 6732 1 750 . 1 1 75 75 GLY H H 1 8.569 0.015 . . . . . . 75 GLY H . 6732 1 751 . 1 1 75 75 GLY HA2 H 1 4.114 0.018 . . . . . . 75 GLY HA2 . 6732 1 752 . 1 1 75 75 GLY HA3 H 1 3.641 0.008 . . . . . . 75 GLY HA3 . 6732 1 753 . 1 1 75 75 GLY C C 13 176.568 0.092 . . . . . . 75 GLY C . 6732 1 754 . 1 1 75 75 GLY CA C 13 45.988 0 . . . . . . 75 GLY CA . 6732 1 755 . 1 1 75 75 GLY N N 15 108.71 0.102 . . . . . . 75 GLY N . 6732 1 756 . 1 1 76 76 GLU H H 1 7.454 0.007 . . . . . . 76 GLU H . 6732 1 757 . 1 1 76 76 GLU HA H 1 4.634 0.014 . . . . . . 76 GLU HA . 6732 1 758 . 1 1 76 76 GLU HB2 H 1 2.05 0.009 . . . . . . 76 GLU HB2 . 6732 1 759 . 1 1 76 76 GLU HB3 H 1 1.858 0.007 . . . . . . 76 GLU HB3 . 6732 1 760 . 1 1 76 76 GLU HG2 H 1 2.258 0.005 . . . . . . 76 GLU HG2 . 6732 1 761 . 1 1 76 76 GLU HG3 H 1 2.258 0.005 . . . . . . 76 GLU HG3 . 6732 1 762 . 1 1 76 76 GLU C C 13 174.742 0.015 . . . . . . 76 GLU C . 6732 1 763 . 1 1 76 76 GLU CA C 13 54.929 0 . . . . . . 76 GLU CA . 6732 1 764 . 1 1 76 76 GLU CB C 13 32.487 0 . . . . . . 76 GLU CB . 6732 1 765 . 1 1 76 76 GLU N N 15 118.655 0.11 . . . . . . 76 GLU N . 6732 1 766 . 1 1 77 77 PHE H H 1 8.663 0.006 . . . . . . 77 PHE H . 6732 1 767 . 1 1 77 77 PHE HA H 1 4.621 0.033 . . . . . . 77 PHE HA . 6732 1 768 . 1 1 77 77 PHE HB2 H 1 3.02 0.011 . . . . . . 77 PHE HB2 . 6732 1 769 . 1 1 77 77 PHE HB3 H 1 2.624 0.014 . . . . . . 77 PHE HB3 . 6732 1 770 . 1 1 77 77 PHE HD1 H 1 7.076 0.011 . . . . . . 77 PHE HD1 . 6732 1 771 . 1 1 77 77 PHE HD2 H 1 7.076 0.011 . . . . . . 77 PHE HD2 . 6732 1 772 . 1 1 77 77 PHE C C 13 176.169 0.053 . . . . . . 77 PHE C . 6732 1 773 . 1 1 77 77 PHE CA C 13 58.878 0 . . . . . . 77 PHE CA . 6732 1 774 . 1 1 77 77 PHE CB C 13 38.735 0.166 . . . . . . 77 PHE CB . 6732 1 775 . 1 1 77 77 PHE N N 15 122.953 0.068 . . . . . . 77 PHE N . 6732 1 776 . 1 1 78 78 ILE H H 1 8.477 0.016 . . . . . . 78 ILE H . 6732 1 777 . 1 1 78 78 ILE HA H 1 4.471 0.009 . . . . . . 78 ILE HA . 6732 1 778 . 1 1 78 78 ILE HB H 1 1.72 0.011 . . . . . . 78 ILE HB . 6732 1 779 . 1 1 78 78 ILE HG12 H 1 1.459 0.009 . . . . . . 78 ILE HG12 . 6732 1 780 . 1 1 78 78 ILE HG13 H 1 1.257 0.013 . . . . . . 78 ILE HG13 . 6732 1 781 . 1 1 78 78 ILE HG21 H 1 1.045 0.016 . . . . . . 78 ILE HG2 . 6732 1 782 . 1 1 78 78 ILE HG22 H 1 1.045 0.016 . . . . . . 78 ILE HG2 . 6732 1 783 . 1 1 78 78 ILE HG23 H 1 1.045 0.016 . . . . . . 78 ILE HG2 . 6732 1 784 . 1 1 78 78 ILE HD11 H 1 0.75 0.023 . . . . . . 78 ILE HD1 . 6732 1 785 . 1 1 78 78 ILE HD12 H 1 0.75 0.023 . . . . . . 78 ILE HD1 . 6732 1 786 . 1 1 78 78 ILE HD13 H 1 0.75 0.023 . . . . . . 78 ILE HD1 . 6732 1 787 . 1 1 78 78 ILE C C 13 173.035 0.018 . . . . . . 78 ILE C . 6732 1 788 . 1 1 78 78 ILE CA C 13 59.312 0 . . . . . . 78 ILE CA . 6732 1 789 . 1 1 78 78 ILE CB C 13 41.777 0.05 . . . . . . 78 ILE CB . 6732 1 790 . 1 1 78 78 ILE CG1 C 13 27.579 0 . . . . . . 78 ILE CG1 . 6732 1 791 . 1 1 78 78 ILE CG2 C 13 16.641 0 . . . . . . 78 ILE CG2 . 6732 1 792 . 1 1 78 78 ILE CD1 C 13 11.712 0 . . . . . . 78 ILE CD1 . 6732 1 793 . 1 1 78 78 ILE N N 15 123.384 0.077 . . . . . . 78 ILE N . 6732 1 794 . 1 1 79 79 TRP H H 1 8.706 0.015 . . . . . . 79 TRP H . 6732 1 795 . 1 1 79 79 TRP HA H 1 5.42 0.009 . . . . . . 79 TRP HA . 6732 1 796 . 1 1 79 79 TRP HB2 H 1 3.714 0.016 . . . . . . 79 TRP HB2 . 6732 1 797 . 1 1 79 79 TRP HB3 H 1 3.586 0.011 . . . . . . 79 TRP HB3 . 6732 1 798 . 1 1 79 79 TRP HD1 H 1 7.813 0.014 . . . . . . 79 TRP HD1 . 6732 1 799 . 1 1 79 79 TRP HE1 H 1 10.177 0.014 . . . . . . 79 TRP HE1 . 6732 1 800 . 1 1 79 79 TRP C C 13 168.679 -4.022 . . . . . . 79 TRP C . 6732 1 801 . 1 1 79 79 TRP CA C 13 57.187 0.102 . . . . . . 79 TRP CA . 6732 1 802 . 1 1 79 79 TRP CB C 13 30.532 0.065 . . . . . . 79 TRP CB . 6732 1 803 . 1 1 79 79 TRP N N 15 129.91 0.077 . . . . . . 79 TRP N . 6732 1 804 . 1 1 79 79 TRP NE1 N 15 129.259 0.051 . . . . . . 79 TRP NE1 . 6732 1 805 . 1 1 80 80 VAL H H 1 9.081 0.015 . . . . . . 80 VAL H . 6732 1 806 . 1 1 80 80 VAL HA H 1 4.147 0.006 . . . . . . 80 VAL HA . 6732 1 807 . 1 1 80 80 VAL HB H 1 2.549 0.007 . . . . . . 80 VAL HB . 6732 1 808 . 1 1 80 80 VAL HG11 H 1 1.366 0.002 . . . . . . 80 VAL HG1 . 6732 1 809 . 1 1 80 80 VAL HG12 H 1 1.366 0.002 . . . . . . 80 VAL HG1 . 6732 1 810 . 1 1 80 80 VAL HG13 H 1 1.366 0.002 . . . . . . 80 VAL HG1 . 6732 1 811 . 1 1 80 80 VAL HG21 H 1 1.339 0.003 . . . . . . 80 VAL HG2 . 6732 1 812 . 1 1 80 80 VAL HG22 H 1 1.339 0.003 . . . . . . 80 VAL HG2 . 6732 1 813 . 1 1 80 80 VAL HG23 H 1 1.339 0.003 . . . . . . 80 VAL HG2 . 6732 1 814 . 1 1 80 80 VAL C C 13 173.521 0.022 . . . . . . 80 VAL C . 6732 1 815 . 1 1 80 80 VAL CA C 13 65.364 0.155 . . . . . . 80 VAL CA . 6732 1 816 . 1 1 80 80 VAL CB C 13 32.12 0.044 . . . . . . 80 VAL CB . 6732 1 817 . 1 1 80 80 VAL CG1 C 13 21.377 0.05 . . . . . . 80 VAL CG1 . 6732 1 818 . 1 1 80 80 VAL CG2 C 13 22.995 0 . . . . . . 80 VAL CG2 . 6732 1 819 . 1 1 80 80 VAL N N 15 117.284 0.111 . . . . . . 80 VAL N . 6732 1 820 . 1 1 81 81 ASP H H 1 7.771 0.009 . . . . . . 81 ASP H . 6732 1 821 . 1 1 81 81 ASP HA H 1 4.694 0.007 . . . . . . 81 ASP HA . 6732 1 822 . 1 1 81 81 ASP HB2 H 1 3.213 0.005 . . . . . . 81 ASP HB2 . 6732 1 823 . 1 1 81 81 ASP HB3 H 1 2.826 0.008 . . . . . . 81 ASP HB3 . 6732 1 824 . 1 1 81 81 ASP C C 13 172.729 0.02 . . . . . . 81 ASP C . 6732 1 825 . 1 1 81 81 ASP CA C 13 54.431 0 . . . . . . 81 ASP CA . 6732 1 826 . 1 1 81 81 ASP CB C 13 40.022 0 . . . . . . 81 ASP CB . 6732 1 827 . 1 1 81 81 ASP N N 15 118.308 0.064 . . . . . . 81 ASP N . 6732 1 828 . 1 1 82 82 GLY H H 1 8.795 0.015 . . . . . . 82 GLY H . 6732 1 829 . 1 1 82 82 GLY HA2 H 1 4.44 0.007 . . . . . . 82 GLY HA2 . 6732 1 830 . 1 1 82 82 GLY HA3 H 1 3.708 0.008 . . . . . . 82 GLY HA3 . 6732 1 831 . 1 1 82 82 GLY C C 13 175.776 0.016 . . . . . . 82 GLY C . 6732 1 832 . 1 1 82 82 GLY CA C 13 44.959 0.064 . . . . . . 82 GLY CA . 6732 1 833 . 1 1 82 82 GLY N N 15 109.768 0.067 . . . . . . 82 GLY N . 6732 1 834 . 1 1 83 83 SER H H 1 8.532 0.011 . . . . . . 83 SER H . 6732 1 835 . 1 1 83 83 SER HA H 1 4.371 0.131 . . . . . . 83 SER HA . 6732 1 836 . 1 1 83 83 SER HB2 H 1 4.139 0.014 . . . . . . 83 SER HB2 . 6732 1 837 . 1 1 83 83 SER HB3 H 1 4.139 0.014 . . . . . . 83 SER HB3 . 6732 1 838 . 1 1 83 83 SER C C 13 176.746 0.07 . . . . . . 83 SER C . 6732 1 839 . 1 1 83 83 SER CA C 13 57.791 0 . . . . . . 83 SER CA . 6732 1 840 . 1 1 83 83 SER CB C 13 65.025 0 . . . . . . 83 SER CB . 6732 1 841 . 1 1 83 83 SER N N 15 117.82 0.078 . . . . . . 83 SER N . 6732 1 842 . 1 1 84 84 HIS H H 1 8.478 0.01 . . . . . . 84 HIS H . 6732 1 843 . 1 1 84 84 HIS HA H 1 5.074 0.008 . . . . . . 84 HIS HA . 6732 1 844 . 1 1 84 84 HIS HB2 H 1 3.494 0.046 . . . . . . 84 HIS HB2 . 6732 1 845 . 1 1 84 84 HIS HB3 H 1 3.325 0.017 . . . . . . 84 HIS HB3 . 6732 1 846 . 1 1 84 84 HIS C C 13 173.627 -0.013 . . . . . . 84 HIS C . 6732 1 847 . 1 1 84 84 HIS CA C 13 55.604 0 . . . . . . 84 HIS CA . 6732 1 848 . 1 1 84 84 HIS CB C 13 30.982 0.381 . . . . . . 84 HIS CB . 6732 1 849 . 1 1 84 84 HIS N N 15 117.893 0.133 . . . . . . 84 HIS N . 6732 1 850 . 1 1 85 85 VAL H H 1 9.104 0.012 . . . . . . 85 VAL H . 6732 1 851 . 1 1 85 85 VAL HA H 1 4.605 0.013 . . . . . . 85 VAL HA . 6732 1 852 . 1 1 85 85 VAL HB H 1 2.399 0.007 . . . . . . 85 VAL HB . 6732 1 853 . 1 1 85 85 VAL HG11 H 1 1.241 0.011 . . . . . . 85 VAL HG1 . 6732 1 854 . 1 1 85 85 VAL HG12 H 1 1.241 0.011 . . . . . . 85 VAL HG1 . 6732 1 855 . 1 1 85 85 VAL HG13 H 1 1.241 0.011 . . . . . . 85 VAL HG1 . 6732 1 856 . 1 1 85 85 VAL HG21 H 1 1.043 0.009 . . . . . . 85 VAL HG2 . 6732 1 857 . 1 1 85 85 VAL HG22 H 1 1.043 0.009 . . . . . . 85 VAL HG2 . 6732 1 858 . 1 1 85 85 VAL HG23 H 1 1.043 0.009 . . . . . . 85 VAL HG2 . 6732 1 859 . 1 1 85 85 VAL C C 13 173.724 -0.011 . . . . . . 85 VAL C . 6732 1 860 . 1 1 85 85 VAL CA C 13 63.793 0.035 . . . . . . 85 VAL CA . 6732 1 861 . 1 1 85 85 VAL CB C 13 31.748 0.143 . . . . . . 85 VAL CB . 6732 1 862 . 1 1 85 85 VAL CG1 C 13 21.592 0 . . . . . . 85 VAL CG1 . 6732 1 863 . 1 1 85 85 VAL CG2 C 13 23.746 0.046 . . . . . . 85 VAL CG2 . 6732 1 864 . 1 1 85 85 VAL N N 15 121.31 0.035 . . . . . . 85 VAL N . 6732 1 865 . 1 1 86 86 ASP H H 1 9.064 0.009 . . . . . . 86 ASP H . 6732 1 866 . 1 1 86 86 ASP HA H 1 4.94 0.008 . . . . . . 86 ASP HA . 6732 1 867 . 1 1 86 86 ASP HB2 H 1 3.214 0.01 . . . . . . 86 ASP HB2 . 6732 1 868 . 1 1 86 86 ASP HB3 H 1 2.982 0.012 . . . . . . 86 ASP HB3 . 6732 1 869 . 1 1 86 86 ASP C C 13 174.342 0.006 . . . . . . 86 ASP C . 6732 1 870 . 1 1 86 86 ASP CA C 13 54.24 0 . . . . . . 86 ASP CA . 6732 1 871 . 1 1 86 86 ASP CB C 13 40.249 0 . . . . . . 86 ASP CB . 6732 1 872 . 1 1 86 86 ASP N N 15 128.873 0.048 . . . . . . 86 ASP N . 6732 1 873 . 1 1 87 87 TYR H H 1 9.877 0.014 . . . . . . 87 TYR H . 6732 1 874 . 1 1 87 87 TYR HA H 1 4.462 0.013 . . . . . . 87 TYR HA . 6732 1 875 . 1 1 87 87 TYR HB2 H 1 3.229 0.013 . . . . . . 87 TYR HB2 . 6732 1 876 . 1 1 87 87 TYR HB3 H 1 2.595 0.01 . . . . . . 87 TYR HB3 . 6732 1 877 . 1 1 87 87 TYR HD1 H 1 7.045 0.006 . . . . . . 87 TYR HD1 . 6732 1 878 . 1 1 87 87 TYR HD2 H 1 7.045 0.006 . . . . . . 87 TYR HD2 . 6732 1 879 . 1 1 87 87 TYR C C 13 175.857 0.013 . . . . . . 87 TYR C . 6732 1 880 . 1 1 87 87 TYR CA C 13 59.163 0 . . . . . . 87 TYR CA . 6732 1 881 . 1 1 87 87 TYR CB C 13 39.891 0.151 . . . . . . 87 TYR CB . 6732 1 882 . 1 1 87 87 TYR N N 15 125.177 0.094 . . . . . . 87 TYR N . 6732 1 883 . 1 1 88 88 SER H H 1 7.186 0.013 . . . . . . 88 SER H . 6732 1 884 . 1 1 88 88 SER HA H 1 4.223 0.008 . . . . . . 88 SER HA . 6732 1 885 . 1 1 88 88 SER HB2 H 1 3.537 0.013 . . . . . . 88 SER HB2 . 6732 1 886 . 1 1 88 88 SER HB3 H 1 3.169 0.01 . . . . . . 88 SER HB3 . 6732 1 887 . 1 1 88 88 SER C C 13 179.18 0.01 . . . . . . 88 SER C . 6732 1 888 . 1 1 88 88 SER CA C 13 56.253 0 . . . . . . 88 SER CA . 6732 1 889 . 1 1 88 88 SER CB C 13 65.974 0.356 . . . . . . 88 SER CB . 6732 1 890 . 1 1 88 88 SER N N 15 118.77 0.057 . . . . . . 88 SER N . 6732 1 891 . 1 1 89 89 ASN H H 1 2.638 0.011 . . . . . . 89 ASN H . 6732 1 892 . 1 1 89 89 ASN HA H 1 4.42 0.011 . . . . . . 89 ASN HA . 6732 1 893 . 1 1 89 89 ASN HB2 H 1 1.766 0.01 . . . . . . 89 ASN HB2 . 6732 1 894 . 1 1 89 89 ASN HB3 H 1 0.824 0.008 . . . . . . 89 ASN HB3 . 6732 1 895 . 1 1 89 89 ASN HD21 H 1 7.078 0.017 . . . . . . 89 ASN HD21 . 6732 1 896 . 1 1 89 89 ASN HD22 H 1 6.093 0.014 . . . . . . 89 ASN HD22 . 6732 1 897 . 1 1 89 89 ASN C C 13 175.956 0.042 . . . . . . 89 ASN C . 6732 1 898 . 1 1 89 89 ASN CA C 13 49.992 0.264 . . . . . . 89 ASN CA . 6732 1 899 . 1 1 89 89 ASN CB C 13 38.807 0.094 . . . . . . 89 ASN CB . 6732 1 900 . 1 1 89 89 ASN N N 15 115.192 0.042 . . . . . . 89 ASN N . 6732 1 901 . 1 1 89 89 ASN ND2 N 15 112.024 0.167 . . . . . . 89 ASN ND2 . 6732 1 902 . 1 1 90 90 TRP H H 1 7.44 0.008 . . . . . . 90 TRP H . 6732 1 903 . 1 1 90 90 TRP HA H 1 4.342 0.016 . . . . . . 90 TRP HA . 6732 1 904 . 1 1 90 90 TRP HB2 H 1 2.797 0.007 . . . . . . 90 TRP HB2 . 6732 1 905 . 1 1 90 90 TRP HB3 H 1 2.797 0.007 . . . . . . 90 TRP HB3 . 6732 1 906 . 1 1 90 90 TRP HD1 H 1 7.188 0.008 . . . . . . 90 TRP HD1 . 6732 1 907 . 1 1 90 90 TRP HE1 H 1 10.231 0.011 . . . . . . 90 TRP HE1 . 6732 1 908 . 1 1 90 90 TRP C C 13 172.492 0.026 . . . . . . 90 TRP C . 6732 1 909 . 1 1 90 90 TRP CA C 13 57.898 0 . . . . . . 90 TRP CA . 6732 1 910 . 1 1 90 90 TRP CB C 13 30.135 0.226 . . . . . . 90 TRP CB . 6732 1 911 . 1 1 90 90 TRP N N 15 120.373 0.044 . . . . . . 90 TRP N . 6732 1 912 . 1 1 90 90 TRP NE1 N 15 127.925 0.116 . . . . . . 90 TRP NE1 . 6732 1 913 . 1 1 91 91 ALA H H 1 9.417 0.016 . . . . . . 91 ALA H . 6732 1 914 . 1 1 91 91 ALA HA H 1 4.29 0.004 . . . . . . 91 ALA HA . 6732 1 915 . 1 1 91 91 ALA HB1 H 1 1.402 0.005 . . . . . . 91 ALA HB . 6732 1 916 . 1 1 91 91 ALA HB2 H 1 1.402 0.005 . . . . . . 91 ALA HB . 6732 1 917 . 1 1 91 91 ALA HB3 H 1 1.402 0.005 . . . . . . 91 ALA HB . 6732 1 918 . 1 1 91 91 ALA CA C 13 50.547 0.116 . . . . . . 91 ALA CA . 6732 1 919 . 1 1 91 91 ALA CB C 13 16.956 0.013 . . . . . . 91 ALA CB . 6732 1 920 . 1 1 91 91 ALA N N 15 126.195 0.063 . . . . . . 91 ALA N . 6732 1 921 . 1 1 93 93 GLY HA2 H 1 4.197 0.004 . . . . . . 93 GLY HA2 . 6732 1 922 . 1 1 93 93 GLY HA3 H 1 3.682 0.011 . . . . . . 93 GLY HA3 . 6732 1 923 . 1 1 93 93 GLY C C 13 177.059 0 . . . . . . 93 GLY C . 6732 1 924 . 1 1 93 93 GLY CA C 13 45.689 0.077 . . . . . . 93 GLY CA . 6732 1 925 . 1 1 94 94 GLU H H 1 7.958 0.02 . . . . . . 94 GLU H . 6732 1 926 . 1 1 94 94 GLU N N 15 119.328 0.034 . . . . . . 94 GLU N . 6732 1 927 . 1 1 96 96 THR HA H 1 4.2 0.007 . . . . . . 96 THR HA . 6732 1 928 . 1 1 96 96 THR HB H 1 4.331 0.003 . . . . . . 96 THR HB . 6732 1 929 . 1 1 96 96 THR HG21 H 1 1.316 0.019 . . . . . . 96 THR HG2 . 6732 1 930 . 1 1 96 96 THR HG22 H 1 1.316 0.019 . . . . . . 96 THR HG2 . 6732 1 931 . 1 1 96 96 THR HG23 H 1 1.316 0.019 . . . . . . 96 THR HG2 . 6732 1 932 . 1 1 96 96 THR CA C 13 63.353 0 . . . . . . 96 THR CA . 6732 1 933 . 1 1 96 96 THR CB C 13 70.091 0.018 . . . . . . 96 THR CB . 6732 1 934 . 1 1 96 96 THR CG2 C 13 22.59 0 . . . . . . 96 THR CG2 . 6732 1 935 . 1 1 103 103 ASP HA H 1 4.864 0.019 . . . . . . 103 ASP HA . 6732 1 936 . 1 1 103 103 ASP HB2 H 1 2.851 0.013 . . . . . . 103 ASP HB2 . 6732 1 937 . 1 1 103 103 ASP HB3 H 1 2.652 0.005 . . . . . . 103 ASP HB3 . 6732 1 938 . 1 1 103 103 ASP C C 13 174.236 0 . . . . . . 103 ASP C . 6732 1 939 . 1 1 103 103 ASP CA C 13 55.263 0.022 . . . . . . 103 ASP CA . 6732 1 940 . 1 1 103 103 ASP CB C 13 43.42 0 . . . . . . 103 ASP CB . 6732 1 941 . 1 1 104 104 CYS H H 1 8.478 0.009 . . . . . . 104 CYS H . 6732 1 942 . 1 1 104 104 CYS HA H 1 4.603 0.01 . . . . . . 104 CYS HA . 6732 1 943 . 1 1 104 104 CYS HB2 H 1 2.697 0.017 . . . . . . 104 CYS HB2 . 6732 1 944 . 1 1 104 104 CYS HB3 H 1 2.486 0.012 . . . . . . 104 CYS HB3 . 6732 1 945 . 1 1 104 104 CYS C C 13 177.646 0.067 . . . . . . 104 CYS C . 6732 1 946 . 1 1 104 104 CYS CA C 13 59.851 0 . . . . . . 104 CYS CA . 6732 1 947 . 1 1 104 104 CYS CB C 13 46.835 0 . . . . . . 104 CYS CB . 6732 1 948 . 1 1 104 104 CYS N N 15 118.152 0.098 . . . . . . 104 CYS N . 6732 1 949 . 1 1 105 105 VAL H H 1 7.473 0.016 . . . . . . 105 VAL H . 6732 1 950 . 1 1 105 105 VAL HA H 1 4.927 0.009 . . . . . . 105 VAL HA . 6732 1 951 . 1 1 105 105 VAL HB H 1 1.853 0.015 . . . . . . 105 VAL HB . 6732 1 952 . 1 1 105 105 VAL HG11 H 1 0.682 0.007 . . . . . . 105 VAL HG1 . 6732 1 953 . 1 1 105 105 VAL HG12 H 1 0.682 0.007 . . . . . . 105 VAL HG1 . 6732 1 954 . 1 1 105 105 VAL HG13 H 1 0.682 0.007 . . . . . . 105 VAL HG1 . 6732 1 955 . 1 1 105 105 VAL HG21 H 1 0.626 0.004 . . . . . . 105 VAL HG2 . 6732 1 956 . 1 1 105 105 VAL HG22 H 1 0.626 0.004 . . . . . . 105 VAL HG2 . 6732 1 957 . 1 1 105 105 VAL HG23 H 1 0.626 0.004 . . . . . . 105 VAL HG2 . 6732 1 958 . 1 1 105 105 VAL C C 13 177.513 0.063 . . . . . . 105 VAL C . 6732 1 959 . 1 1 105 105 VAL CA C 13 62.834 0.302 . . . . . . 105 VAL CA . 6732 1 960 . 1 1 105 105 VAL CB C 13 33.463 0.189 . . . . . . 105 VAL CB . 6732 1 961 . 1 1 105 105 VAL CG1 C 13 23.553 0.302 . . . . . . 105 VAL CG1 . 6732 1 962 . 1 1 105 105 VAL CG2 C 13 22.44 0.102 . . . . . . 105 VAL CG2 . 6732 1 963 . 1 1 105 105 VAL N N 15 119.988 0.097 . . . . . . 105 VAL N . 6732 1 964 . 1 1 106 106 MET H H 1 8.797 0.009 . . . . . . 106 MET H . 6732 1 965 . 1 1 106 106 MET HA H 1 5.535 0.011 . . . . . . 106 MET HA . 6732 1 966 . 1 1 106 106 MET HB2 H 1 1.654 0.015 . . . . . . 106 MET HB2 . 6732 1 967 . 1 1 106 106 MET HB3 H 1 1.654 0.015 . . . . . . 106 MET HB3 . 6732 1 968 . 1 1 106 106 MET HG2 H 1 2.401 0.004 . . . . . . 106 MET HG2 . 6732 1 969 . 1 1 106 106 MET HG3 H 1 2.317 0.026 . . . . . . 106 MET HG3 . 6732 1 970 . 1 1 106 106 MET C C 13 176.792 0.001 . . . . . . 106 MET C . 6732 1 971 . 1 1 106 106 MET CA C 13 52.348 0.015 . . . . . . 106 MET CA . 6732 1 972 . 1 1 106 106 MET CB C 13 36.397 0.043 . . . . . . 106 MET CB . 6732 1 973 . 1 1 106 106 MET CG C 13 30.92 0.077 . . . . . . 106 MET CG . 6732 1 974 . 1 1 106 106 MET N N 15 120.871 0.064 . . . . . . 106 MET N . 6732 1 975 . 1 1 107 107 MET H H 1 9.442 0.015 . . . . . . 107 MET H . 6732 1 976 . 1 1 107 107 MET HA H 1 5.077 0.007 . . . . . . 107 MET HA . 6732 1 977 . 1 1 107 107 MET HB2 H 1 2.099 0.014 . . . . . . 107 MET HB2 . 6732 1 978 . 1 1 107 107 MET HB3 H 1 1.862 0.011 . . . . . . 107 MET HB3 . 6732 1 979 . 1 1 107 107 MET HG2 H 1 2.816 0.006 . . . . . . 107 MET HG2 . 6732 1 980 . 1 1 107 107 MET HG3 H 1 2.661 0.017 . . . . . . 107 MET HG3 . 6732 1 981 . 1 1 107 107 MET C C 13 173.306 -0.003 . . . . . . 107 MET C . 6732 1 982 . 1 1 107 107 MET CA C 13 54.014 0 . . . . . . 107 MET CA . 6732 1 983 . 1 1 107 107 MET CB C 13 36.96 0.007 . . . . . . 107 MET CB . 6732 1 984 . 1 1 107 107 MET CG C 13 31.151 0.078 . . . . . . 107 MET CG . 6732 1 985 . 1 1 107 107 MET N N 15 119.631 0.073 . . . . . . 107 MET N . 6732 1 986 . 1 1 108 108 ARG H H 1 9.106 0.014 . . . . . . 108 ARG H . 6732 1 987 . 1 1 108 108 ARG HA H 1 4.375 0 . . . . . . 108 ARG HA . 6732 1 988 . 1 1 108 108 ARG N N 15 125.16 0.102 . . . . . . 108 ARG N . 6732 1 989 . 1 1 110 110 SER HA H 1 4.624 0.011 . . . . . . 110 SER HA . 6732 1 990 . 1 1 110 110 SER HB2 H 1 4.316 0.01 . . . . . . 110 SER HB2 . 6732 1 991 . 1 1 110 110 SER HB3 H 1 4.127 0.01 . . . . . . 110 SER HB3 . 6732 1 992 . 1 1 110 110 SER C C 13 174.495 0 . . . . . . 110 SER C . 6732 1 993 . 1 1 110 110 SER CA C 13 58.637 0 . . . . . . 110 SER CA . 6732 1 994 . 1 1 110 110 SER CB C 13 64.993 0 . . . . . . 110 SER CB . 6732 1 995 . 1 1 111 111 GLY H H 1 8.298 0.016 . . . . . . 111 GLY H . 6732 1 996 . 1 1 111 111 GLY HA2 H 1 4.571 0.011 . . . . . . 111 GLY HA2 . 6732 1 997 . 1 1 111 111 GLY HA3 H 1 3.541 0.017 . . . . . . 111 GLY HA3 . 6732 1 998 . 1 1 111 111 GLY C C 13 177.307 0.079 . . . . . . 111 GLY C . 6732 1 999 . 1 1 111 111 GLY CA C 13 45.634 0 . . . . . . 111 GLY CA . 6732 1 1000 . 1 1 111 111 GLY N N 15 112.048 0.071 . . . . . . 111 GLY N . 6732 1 1001 . 1 1 112 112 ARG H H 1 7.272 0.017 . . . . . . 112 ARG H . 6732 1 1002 . 1 1 112 112 ARG HA H 1 4.541 0.01 . . . . . . 112 ARG HA . 6732 1 1003 . 1 1 112 112 ARG HB2 H 1 1.759 0.006 . . . . . . 112 ARG HB2 . 6732 1 1004 . 1 1 112 112 ARG HB3 H 1 1.575 0.009 . . . . . . 112 ARG HB3 . 6732 1 1005 . 1 1 112 112 ARG HG2 H 1 1.684 0.012 . . . . . . 112 ARG HG2 . 6732 1 1006 . 1 1 112 112 ARG HG3 H 1 1.492 0.004 . . . . . . 112 ARG HG3 . 6732 1 1007 . 1 1 112 112 ARG HD2 H 1 3.042 0.007 . . . . . . 112 ARG HD2 . 6732 1 1008 . 1 1 112 112 ARG HD3 H 1 2.925 0.009 . . . . . . 112 ARG HD3 . 6732 1 1009 . 1 1 112 112 ARG C C 13 172.784 -0.008 . . . . . . 112 ARG C . 6732 1 1010 . 1 1 112 112 ARG CA C 13 55.663 0 . . . . . . 112 ARG CA . 6732 1 1011 . 1 1 112 112 ARG CB C 13 31.177 0.261 . . . . . . 112 ARG CB . 6732 1 1012 . 1 1 112 112 ARG CG C 13 27.225 0 . . . . . . 112 ARG CG . 6732 1 1013 . 1 1 112 112 ARG CD C 13 43.1 0.017 . . . . . . 112 ARG CD . 6732 1 1014 . 1 1 112 112 ARG N N 15 116.236 0.095 . . . . . . 112 ARG N . 6732 1 1015 . 1 1 113 113 TRP H H 1 8.407 0.013 . . . . . . 113 TRP H . 6732 1 1016 . 1 1 113 113 TRP HA H 1 5.881 0.011 . . . . . . 113 TRP HA . 6732 1 1017 . 1 1 113 113 TRP HB2 H 1 2.653 0.014 . . . . . . 113 TRP HB2 . 6732 1 1018 . 1 1 113 113 TRP HB3 H 1 2.653 0.014 . . . . . . 113 TRP HB3 . 6732 1 1019 . 1 1 113 113 TRP HD1 H 1 7.085 0.005 . . . . . . 113 TRP HD1 . 6732 1 1020 . 1 1 113 113 TRP HE1 H 1 10.944 0.014 . . . . . . 113 TRP HE1 . 6732 1 1021 . 1 1 113 113 TRP HZ2 H 1 6.091 0.009 . . . . . . 113 TRP HZ2 . 6732 1 1022 . 1 1 113 113 TRP HH2 H 1 6.987 0.012 . . . . . . 113 TRP HH2 . 6732 1 1023 . 1 1 113 113 TRP C C 13 172.48 0.005 . . . . . . 113 TRP C . 6732 1 1024 . 1 1 113 113 TRP CA C 13 53.276 0.064 . . . . . . 113 TRP CA . 6732 1 1025 . 1 1 113 113 TRP CB C 13 31.245 0 . . . . . . 113 TRP CB . 6732 1 1026 . 1 1 113 113 TRP N N 15 120.19 0.09 . . . . . . 113 TRP N . 6732 1 1027 . 1 1 113 113 TRP NE1 N 15 130.068 0.068 . . . . . . 113 TRP NE1 . 6732 1 1028 . 1 1 114 114 ASN H H 1 9.217 0.011 . . . . . . 114 ASN H . 6732 1 1029 . 1 1 114 114 ASN HA H 1 5.344 0.007 . . . . . . 114 ASN HA . 6732 1 1030 . 1 1 114 114 ASN HB2 H 1 2.978 0.011 . . . . . . 114 ASN HB2 . 6732 1 1031 . 1 1 114 114 ASN HB3 H 1 2.731 0.016 . . . . . . 114 ASN HB3 . 6732 1 1032 . 1 1 114 114 ASN HD21 H 1 7.355 0.001 . . . . . . 114 ASN HD21 . 6732 1 1033 . 1 1 114 114 ASN HD22 H 1 6.626 0.005 . . . . . . 114 ASN HD22 . 6732 1 1034 . 1 1 114 114 ASN C C 13 175.381 0.085 . . . . . . 114 ASN C . 6732 1 1035 . 1 1 114 114 ASN CA C 13 53.797 0 . . . . . . 114 ASN CA . 6732 1 1036 . 1 1 114 114 ASN CB C 13 42.545 0 . . . . . . 114 ASN CB . 6732 1 1037 . 1 1 114 114 ASN N N 15 116.495 0.114 . . . . . . 114 ASN N . 6732 1 1038 . 1 1 114 114 ASN ND2 N 15 109.887 0.045 . . . . . . 114 ASN ND2 . 6732 1 1039 . 1 1 115 115 ASP H H 1 9.245 0.009 . . . . . . 115 ASP H . 6732 1 1040 . 1 1 115 115 ASP HA H 1 5.403 0.012 . . . . . . 115 ASP HA . 6732 1 1041 . 1 1 115 115 ASP HB2 H 1 3.314 0.01 . . . . . . 115 ASP HB2 . 6732 1 1042 . 1 1 115 115 ASP HB3 H 1 2.681 0.019 . . . . . . 115 ASP HB3 . 6732 1 1043 . 1 1 115 115 ASP C C 13 173.618 0 . . . . . . 115 ASP C . 6732 1 1044 . 1 1 115 115 ASP CA C 13 53.627 0.512 . . . . . . 115 ASP CA . 6732 1 1045 . 1 1 115 115 ASP CB C 13 40.357 0 . . . . . . 115 ASP CB . 6732 1 1046 . 1 1 115 115 ASP N N 15 122.975 0.119 . . . . . . 115 ASP N . 6732 1 1047 . 1 1 116 116 ALA H H 1 9.504 0.009 . . . . . . 116 ALA H . 6732 1 1048 . 1 1 116 116 ALA HA H 1 4.779 0.005 . . . . . . 116 ALA HA . 6732 1 1049 . 1 1 116 116 ALA HB1 H 1 1.516 0.007 . . . . . . 116 ALA HB . 6732 1 1050 . 1 1 116 116 ALA HB2 H 1 1.516 0.007 . . . . . . 116 ALA HB . 6732 1 1051 . 1 1 116 116 ALA HB3 H 1 1.516 0.007 . . . . . . 116 ALA HB . 6732 1 1052 . 1 1 116 116 ALA C C 13 173.918 -0.001 . . . . . . 116 ALA C . 6732 1 1053 . 1 1 116 116 ALA CA C 13 51.791 0.258 . . . . . . 116 ALA CA . 6732 1 1054 . 1 1 116 116 ALA CB C 13 23.117 0 . . . . . . 116 ALA CB . 6732 1 1055 . 1 1 116 116 ALA N N 15 126.949 0.065 . . . . . . 116 ALA N . 6732 1 1056 . 1 1 117 117 PHE H H 1 8.463 0.018 . . . . . . 117 PHE H . 6732 1 1057 . 1 1 117 117 PHE HA H 1 4.972 0.008 . . . . . . 117 PHE HA . 6732 1 1058 . 1 1 117 117 PHE HB2 H 1 3.674 0.005 . . . . . . 117 PHE HB2 . 6732 1 1059 . 1 1 117 117 PHE HB3 H 1 3.051 0.008 . . . . . . 117 PHE HB3 . 6732 1 1060 . 1 1 117 117 PHE HD1 H 1 7.516 0.005 . . . . . . 117 PHE HD1 . 6732 1 1061 . 1 1 117 117 PHE HD2 H 1 7.516 0.005 . . . . . . 117 PHE HD2 . 6732 1 1062 . 1 1 117 117 PHE C C 13 171.315 -0.013 . . . . . . 117 PHE C . 6732 1 1063 . 1 1 117 117 PHE CA C 13 58.792 0.202 . . . . . . 117 PHE CA . 6732 1 1064 . 1 1 117 117 PHE CB C 13 38.77 0 . . . . . . 117 PHE CB . 6732 1 1065 . 1 1 117 117 PHE N N 15 119.346 0.082 . . . . . . 117 PHE N . 6732 1 1066 . 1 1 118 118 CYS H H 1 9.011 0.014 . . . . . . 118 CYS H . 6732 1 1067 . 1 1 118 118 CYS HA H 1 4.289 0.011 . . . . . . 118 CYS HA . 6732 1 1068 . 1 1 118 118 CYS HB2 H 1 3.221 0.005 . . . . . . 118 CYS HB2 . 6732 1 1069 . 1 1 118 118 CYS HB3 H 1 3.221 0.005 . . . . . . 118 CYS HB3 . 6732 1 1070 . 1 1 118 118 CYS C C 13 174.797 -0.024 . . . . . . 118 CYS C . 6732 1 1071 . 1 1 118 118 CYS CA C 13 59.045 0 . . . . . . 118 CYS CA . 6732 1 1072 . 1 1 118 118 CYS CB C 13 44.967 0.258 . . . . . . 118 CYS CB . 6732 1 1073 . 1 1 118 118 CYS N N 15 120.456 0.069 . . . . . . 118 CYS N . 6732 1 1074 . 1 1 119 119 ASP H H 1 8.599 0.023 . . . . . . 119 ASP H . 6732 1 1075 . 1 1 119 119 ASP C C 13 173.917 0 . . . . . . 119 ASP C . 6732 1 1076 . 1 1 119 119 ASP CA C 13 53.475 0 . . . . . . 119 ASP CA . 6732 1 1077 . 1 1 119 119 ASP CB C 13 39.242 0 . . . . . . 119 ASP CB . 6732 1 1078 . 1 1 119 119 ASP N N 15 117.214 0.034 . . . . . . 119 ASP N . 6732 1 1079 . 1 1 120 120 ARG H H 1 7.926 0.015 . . . . . . 120 ARG H . 6732 1 1080 . 1 1 120 120 ARG HA H 1 4.369 0.013 . . . . . . 120 ARG HA . 6732 1 1081 . 1 1 120 120 ARG HB2 H 1 2.293 0.011 . . . . . . 120 ARG HB2 . 6732 1 1082 . 1 1 120 120 ARG HB3 H 1 2.293 0.011 . . . . . . 120 ARG HB3 . 6732 1 1083 . 1 1 120 120 ARG HG2 H 1 2 0.008 . . . . . . 120 ARG HG2 . 6732 1 1084 . 1 1 120 120 ARG HG3 H 1 1.871 0.004 . . . . . . 120 ARG HG3 . 6732 1 1085 . 1 1 120 120 ARG HD2 H 1 3.51 0.01 . . . . . . 120 ARG HD2 . 6732 1 1086 . 1 1 120 120 ARG HD3 H 1 3.13 0.01 . . . . . . 120 ARG HD3 . 6732 1 1087 . 1 1 120 120 ARG C C 13 175.188 0.108 . . . . . . 120 ARG C . 6732 1 1088 . 1 1 120 120 ARG CA C 13 57.5 0 . . . . . . 120 ARG CA . 6732 1 1089 . 1 1 120 120 ARG CB C 13 28.932 0.253 . . . . . . 120 ARG CB . 6732 1 1090 . 1 1 120 120 ARG CG C 13 44.313 0 . . . . . . 120 ARG CG . 6732 1 1091 . 1 1 120 120 ARG CD C 13 27.544 0 . . . . . . 120 ARG CD . 6732 1 1092 . 1 1 120 120 ARG N N 15 122.574 0.06 . . . . . . 120 ARG N . 6732 1 1093 . 1 1 121 121 LYS H H 1 8.469 0.009 . . . . . . 121 LYS H . 6732 1 1094 . 1 1 121 121 LYS HA H 1 4.536 0.015 . . . . . . 121 LYS HA . 6732 1 1095 . 1 1 121 121 LYS HB2 H 1 1.883 0.011 . . . . . . 121 LYS HB2 . 6732 1 1096 . 1 1 121 121 LYS HB3 H 1 1.883 0.011 . . . . . . 121 LYS HB3 . 6732 1 1097 . 1 1 121 121 LYS C C 13 173.683 0.01 . . . . . . 121 LYS C . 6732 1 1098 . 1 1 121 121 LYS CA C 13 56.682 0 . . . . . . 121 LYS CA . 6732 1 1099 . 1 1 121 121 LYS CB C 13 32.045 0 . . . . . . 121 LYS CB . 6732 1 1100 . 1 1 121 121 LYS N N 15 122.037 0.1 . . . . . . 121 LYS N . 6732 1 1101 . 1 1 122 122 LEU H H 1 7.995 0.033 . . . . . . 122 LEU H . 6732 1 1102 . 1 1 122 122 LEU HA H 1 4.787 0.011 . . . . . . 122 LEU HA . 6732 1 1103 . 1 1 122 122 LEU HB2 H 1 1.391 0.02 . . . . . . 122 LEU HB2 . 6732 1 1104 . 1 1 122 122 LEU HB3 H 1 1.391 0.02 . . . . . . 122 LEU HB3 . 6732 1 1105 . 1 1 122 122 LEU HG H 1 0.968 0.031 . . . . . . 122 LEU HG . 6732 1 1106 . 1 1 122 122 LEU HD11 H 1 0.517 0.012 . . . . . . 122 LEU HD1 . 6732 1 1107 . 1 1 122 122 LEU HD12 H 1 0.517 0.012 . . . . . . 122 LEU HD1 . 6732 1 1108 . 1 1 122 122 LEU HD13 H 1 0.517 0.012 . . . . . . 122 LEU HD1 . 6732 1 1109 . 1 1 122 122 LEU HD21 H 1 -0.374 0.007 . . . . . . 122 LEU HD2 . 6732 1 1110 . 1 1 122 122 LEU HD22 H 1 -0.374 0.007 . . . . . . 122 LEU HD2 . 6732 1 1111 . 1 1 122 122 LEU HD23 H 1 -0.374 0.007 . . . . . . 122 LEU HD2 . 6732 1 1112 . 1 1 122 122 LEU CA C 13 53.066 0 . . . . . . 122 LEU CA . 6732 1 1113 . 1 1 122 122 LEU CB C 13 45.669 0 . . . . . . 122 LEU CB . 6732 1 1114 . 1 1 122 122 LEU CG C 13 27.14 0 . . . . . . 122 LEU CG . 6732 1 1115 . 1 1 122 122 LEU CD1 C 13 22.902 0.049 . . . . . . 122 LEU CD1 . 6732 1 1116 . 1 1 122 122 LEU CD2 C 13 24.341 0.036 . . . . . . 122 LEU CD2 . 6732 1 1117 . 1 1 122 122 LEU N N 15 124.014 0.286 . . . . . . 122 LEU N . 6732 1 1118 . 1 1 123 123 GLY C C 13 174.937 -0.899 . . . . . . 123 GLY C . 6732 1 1119 . 1 1 123 123 GLY CA C 13 46.01 0 . . . . . . 123 GLY CA . 6732 1 1120 . 1 1 124 124 ALA H H 1 7.352 0.021 . . . . . . 124 ALA H . 6732 1 1121 . 1 1 124 124 ALA HA H 1 4.938 0.009 . . . . . . 124 ALA HA . 6732 1 1122 . 1 1 124 124 ALA HB1 H 1 1.598 0 . . . . . . 124 ALA HB . 6732 1 1123 . 1 1 124 124 ALA HB2 H 1 1.598 0 . . . . . . 124 ALA HB . 6732 1 1124 . 1 1 124 124 ALA HB3 H 1 1.598 0 . . . . . . 124 ALA HB . 6732 1 1125 . 1 1 124 124 ALA C C 13 173.848 -0.014 . . . . . . 124 ALA C . 6732 1 1126 . 1 1 124 124 ALA CA C 13 51.456 0.002 . . . . . . 124 ALA CA . 6732 1 1127 . 1 1 124 124 ALA CB C 13 23.169 0.227 . . . . . . 124 ALA CB . 6732 1 1128 . 1 1 124 124 ALA N N 15 119.693 0.331 . . . . . . 124 ALA N . 6732 1 1129 . 1 1 125 125 TRP H H 1 6.981 0.01 . . . . . . 125 TRP H . 6732 1 1130 . 1 1 125 125 TRP HA H 1 5.191 0.006 . . . . . . 125 TRP HA . 6732 1 1131 . 1 1 125 125 TRP HB2 H 1 3.826 0.011 . . . . . . 125 TRP HB2 . 6732 1 1132 . 1 1 125 125 TRP HB3 H 1 3.826 0.011 . . . . . . 125 TRP HB3 . 6732 1 1133 . 1 1 125 125 TRP HE1 H 1 9.819 0.003 . . . . . . 125 TRP HE1 . 6732 1 1134 . 1 1 125 125 TRP C C 13 177.881 0.045 . . . . . . 125 TRP C . 6732 1 1135 . 1 1 125 125 TRP CA C 13 55.95 0 . . . . . . 125 TRP CA . 6732 1 1136 . 1 1 125 125 TRP CB C 13 29.687 0 . . . . . . 125 TRP CB . 6732 1 1137 . 1 1 125 125 TRP N N 15 116.734 0.038 . . . . . . 125 TRP N . 6732 1 1138 . 1 1 125 125 TRP NE1 N 15 130.157 0.002 . . . . . . 125 TRP NE1 . 6732 1 1139 . 1 1 126 126 VAL H H 1 7.325 0.016 . . . . . . 126 VAL H . 6732 1 1140 . 1 1 126 126 VAL HA H 1 5.219 0 . . . . . . 126 VAL HA . 6732 1 1141 . 1 1 126 126 VAL HB H 1 2.05 0.017 . . . . . . 126 VAL HB . 6732 1 1142 . 1 1 126 126 VAL HG11 H 1 0.978 0.011 . . . . . . 126 VAL HG1 . 6732 1 1143 . 1 1 126 126 VAL HG12 H 1 0.978 0.011 . . . . . . 126 VAL HG1 . 6732 1 1144 . 1 1 126 126 VAL HG13 H 1 0.978 0.011 . . . . . . 126 VAL HG1 . 6732 1 1145 . 1 1 126 126 VAL HG21 H 1 0.68 0.013 . . . . . . 126 VAL HG2 . 6732 1 1146 . 1 1 126 126 VAL HG22 H 1 0.68 0.013 . . . . . . 126 VAL HG2 . 6732 1 1147 . 1 1 126 126 VAL HG23 H 1 0.68 0.013 . . . . . . 126 VAL HG2 . 6732 1 1148 . 1 1 126 126 VAL C C 13 174.924 0 . . . . . . 126 VAL C . 6732 1 1149 . 1 1 126 126 VAL CA C 13 60.346 0.527 . . . . . . 126 VAL CA . 6732 1 1150 . 1 1 126 126 VAL CB C 13 35.208 0.092 . . . . . . 126 VAL CB . 6732 1 1151 . 1 1 126 126 VAL CG1 C 13 21.641 0 . . . . . . 126 VAL CG1 . 6732 1 1152 . 1 1 126 126 VAL CG2 C 13 20.561 0.054 . . . . . . 126 VAL CG2 . 6732 1 1153 . 1 1 126 126 VAL N N 15 119.051 0.274 . . . . . . 126 VAL N . 6732 1 1154 . 1 1 127 127 CYS H H 1 9.151 0.013 . . . . . . 127 CYS H . 6732 1 1155 . 1 1 127 127 CYS HA H 1 6.041 0.008 . . . . . . 127 CYS HA . 6732 1 1156 . 1 1 127 127 CYS HB2 H 1 3.317 0.017 . . . . . . 127 CYS HB2 . 6732 1 1157 . 1 1 127 127 CYS HB3 H 1 2.491 0.009 . . . . . . 127 CYS HB3 . 6732 1 1158 . 1 1 127 127 CYS C C 13 175.494 0.037 . . . . . . 127 CYS C . 6732 1 1159 . 1 1 127 127 CYS CA C 13 51.674 0.116 . . . . . . 127 CYS CA . 6732 1 1160 . 1 1 127 127 CYS CB C 13 40.039 0.027 . . . . . . 127 CYS CB . 6732 1 1161 . 1 1 127 127 CYS N N 15 123.523 0.083 . . . . . . 127 CYS N . 6732 1 1162 . 1 1 128 128 ASP H H 1 10.276 0.008 . . . . . . 128 ASP H . 6732 1 1163 . 1 1 128 128 ASP HA H 1 6.05 0.01 . . . . . . 128 ASP HA . 6732 1 1164 . 1 1 128 128 ASP HB2 H 1 2.593 0.009 . . . . . . 128 ASP HB2 . 6732 1 1165 . 1 1 128 128 ASP HB3 H 1 2.477 0.01 . . . . . . 128 ASP HB3 . 6732 1 1166 . 1 1 128 128 ASP C C 13 175.07 0.01 . . . . . . 128 ASP C . 6732 1 1167 . 1 1 128 128 ASP CA C 13 52.768 0.084 . . . . . . 128 ASP CA . 6732 1 1168 . 1 1 128 128 ASP CB C 13 46.087 0.271 . . . . . . 128 ASP CB . 6732 1 1169 . 1 1 128 128 ASP N N 15 120.326 0.044 . . . . . . 128 ASP N . 6732 1 1170 . 1 1 129 129 ARG H H 1 8.04 0.014 . . . . . . 129 ARG H . 6732 1 1171 . 1 1 129 129 ARG C C 13 175.068 0 . . . . . . 129 ARG C . 6732 1 1172 . 1 1 129 129 ARG CA C 13 55.981 0 . . . . . . 129 ARG CA . 6732 1 1173 . 1 1 129 129 ARG CB C 13 33.247 0 . . . . . . 129 ARG CB . 6732 1 1174 . 1 1 129 129 ARG N N 15 110.637 0.05 . . . . . . 129 ARG N . 6732 1 1175 . 1 1 130 130 LEU H H 1 8.582 0.013 . . . . . . 130 LEU H . 6732 1 1176 . 1 1 130 130 LEU HA H 1 4.421 0.01 . . . . . . 130 LEU HA . 6732 1 1177 . 1 1 130 130 LEU HB2 H 1 1.613 0.01 . . . . . . 130 LEU HB2 . 6732 1 1178 . 1 1 130 130 LEU HB3 H 1 1.613 0.01 . . . . . . 130 LEU HB3 . 6732 1 1179 . 1 1 130 130 LEU HG H 1 1.794 0.007 . . . . . . 130 LEU HG . 6732 1 1180 . 1 1 130 130 LEU HD11 H 1 0.972 0.004 . . . . . . 130 LEU HD1 . 6732 1 1181 . 1 1 130 130 LEU HD12 H 1 0.972 0.004 . . . . . . 130 LEU HD1 . 6732 1 1182 . 1 1 130 130 LEU HD13 H 1 0.972 0.004 . . . . . . 130 LEU HD1 . 6732 1 1183 . 1 1 130 130 LEU HD21 H 1 0.909 0.013 . . . . . . 130 LEU HD2 . 6732 1 1184 . 1 1 130 130 LEU HD22 H 1 0.909 0.013 . . . . . . 130 LEU HD2 . 6732 1 1185 . 1 1 130 130 LEU HD23 H 1 0.909 0.013 . . . . . . 130 LEU HD2 . 6732 1 1186 . 1 1 130 130 LEU C C 13 172.369 -0.012 . . . . . . 130 LEU C . 6732 1 1187 . 1 1 130 130 LEU CA C 13 55.54 0.04 . . . . . . 130 LEU CA . 6732 1 1188 . 1 1 130 130 LEU CB C 13 41.699 0.24 . . . . . . 130 LEU CB . 6732 1 1189 . 1 1 130 130 LEU CG C 13 26.834 0.095 . . . . . . 130 LEU CG . 6732 1 1190 . 1 1 130 130 LEU CD1 C 13 25.048 0 . . . . . . 130 LEU CD1 . 6732 1 1191 . 1 1 130 130 LEU CD2 C 13 22.86 0.057 . . . . . . 130 LEU CD2 . 6732 1 1192 . 1 1 130 130 LEU N N 15 121.388 0.08 . . . . . . 130 LEU N . 6732 1 1193 . 1 1 131 131 ALA H H 1 8.265 0.011 . . . . . . 131 ALA H . 6732 1 1194 . 1 1 131 131 ALA HA H 1 4.46 0.016 . . . . . . 131 ALA HA . 6732 1 1195 . 1 1 131 131 ALA HB1 H 1 0.946 0.008 . . . . . . 131 ALA HB . 6732 1 1196 . 1 1 131 131 ALA HB2 H 1 0.946 0.008 . . . . . . 131 ALA HB . 6732 1 1197 . 1 1 131 131 ALA HB3 H 1 0.946 0.008 . . . . . . 131 ALA HB . 6732 1 1198 . 1 1 131 131 ALA C C 13 171.987 -0.011 . . . . . . 131 ALA C . 6732 1 1199 . 1 1 131 131 ALA CA C 13 52.045 0.11 . . . . . . 131 ALA CA . 6732 1 1200 . 1 1 131 131 ALA CB C 13 18.375 0.024 . . . . . . 131 ALA CB . 6732 1 1201 . 1 1 131 131 ALA N N 15 124.735 0.059 . . . . . . 131 ALA N . 6732 1 1202 . 1 1 132 132 THR H H 1 8.702 0.01 . . . . . . 132 THR H . 6732 1 1203 . 1 1 132 132 THR HA H 1 4.479 0.009 . . . . . . 132 THR HA . 6732 1 1204 . 1 1 132 132 THR HB H 1 4.196 0.007 . . . . . . 132 THR HB . 6732 1 1205 . 1 1 132 132 THR HG21 H 1 1.182 0.008 . . . . . . 132 THR HG2 . 6732 1 1206 . 1 1 132 132 THR HG22 H 1 1.182 0.008 . . . . . . 132 THR HG2 . 6732 1 1207 . 1 1 132 132 THR HG23 H 1 1.182 0.008 . . . . . . 132 THR HG2 . 6732 1 1208 . 1 1 132 132 THR C C 13 174.434 0 . . . . . . 132 THR C . 6732 1 1209 . 1 1 132 132 THR CA C 13 61.644 0.302 . . . . . . 132 THR CA . 6732 1 1210 . 1 1 132 132 THR CB C 13 69.951 0 . . . . . . 132 THR CB . 6732 1 1211 . 1 1 132 132 THR CG2 C 13 21.745 0 . . . . . . 132 THR CG2 . 6732 1 1212 . 1 1 132 132 THR N N 15 114.561 0.049 . . . . . . 132 THR N . 6732 1 1213 . 1 1 133 133 CYS H H 1 9.245 0.023 . . . . . . 133 CYS H . 6732 1 1214 . 1 1 133 133 CYS CA C 13 55.686 0 . . . . . . 133 CYS CA . 6732 1 1215 . 1 1 133 133 CYS CB C 13 38.699 0 . . . . . . 133 CYS CB . 6732 1 1216 . 1 1 133 133 CYS N N 15 125.299 0.041 . . . . . . 133 CYS N . 6732 1 1217 . 1 1 136 136 PRO C C 13 174.323 0 . . . . . . 136 PRO C . 6732 1 1218 . 1 1 136 136 PRO CA C 13 64.098 0 . . . . . . 136 PRO CA . 6732 1 1219 . 1 1 136 136 PRO CB C 13 31.221 0 . . . . . . 136 PRO CB . 6732 1 1220 . 1 1 137 137 ALA H H 1 7.853 0.018 . . . . . . 137 ALA H . 6732 1 1221 . 1 1 137 137 ALA HA H 1 4.15 0.002 . . . . . . 137 ALA HA . 6732 1 1222 . 1 1 137 137 ALA HB1 H 1 1.368 0.002 . . . . . . 137 ALA HB . 6732 1 1223 . 1 1 137 137 ALA HB2 H 1 1.368 0.002 . . . . . . 137 ALA HB . 6732 1 1224 . 1 1 137 137 ALA HB3 H 1 1.368 0.002 . . . . . . 137 ALA HB . 6732 1 1225 . 1 1 137 137 ALA CA C 13 53.59 0 . . . . . . 137 ALA CA . 6732 1 1226 . 1 1 137 137 ALA CB C 13 20.3 0 . . . . . . 137 ALA CB . 6732 1 1227 . 1 1 137 137 ALA N N 15 129.608 0.073 . . . . . . 137 ALA N . 6732 1 1228 . 1 1 138 138 SER C C 13 176.454 0 . . . . . . 138 SER C . 6732 1 1229 . 1 1 138 138 SER CA C 13 58.365 0 . . . . . . 138 SER CA . 6732 1 1230 . 1 1 138 138 SER CB C 13 65.496 0 . . . . . . 138 SER CB . 6732 1 1231 . 1 1 139 139 GLU H H 1 7.989 0.015 . . . . . . 139 GLU H . 6732 1 1232 . 1 1 139 139 GLU C C 13 174.08 0 . . . . . . 139 GLU C . 6732 1 1233 . 1 1 139 139 GLU CA C 13 58.419 0 . . . . . . 139 GLU CA . 6732 1 1234 . 1 1 139 139 GLU CB C 13 30.567 0 . . . . . . 139 GLU CB . 6732 1 1235 . 1 1 139 139 GLU N N 15 127.539 0.072 . . . . . . 139 GLU N . 6732 1 1236 . 1 1 140 140 GLY H H 1 7.995 0.02 . . . . . . 140 GLY H . 6732 1 1237 . 1 1 140 140 GLY HA2 H 1 4.294 0.178 . . . . . . 140 GLY HA2 . 6732 1 1238 . 1 1 140 140 GLY HA3 H 1 3.808 0.002 . . . . . . 140 GLY HA3 . 6732 1 1239 . 1 1 140 140 GLY C C 13 176.584 0 . . . . . . 140 GLY C . 6732 1 1240 . 1 1 140 140 GLY CA C 13 45.968 0.083 . . . . . . 140 GLY CA . 6732 1 1241 . 1 1 140 140 GLY N N 15 116.033 0.066 . . . . . . 140 GLY N . 6732 1 1242 . 1 1 141 141 SER H H 1 7.858 0.033 . . . . . . 141 SER H . 6732 1 1243 . 1 1 141 141 SER CA C 13 60.435 0 . . . . . . 141 SER CA . 6732 1 1244 . 1 1 141 141 SER CB C 13 65.679 0 . . . . . . 141 SER CB . 6732 1 1245 . 1 1 141 141 SER N N 15 121.358 0.094 . . . . . . 141 SER N . 6732 1 1246 . 1 1 142 142 ALA H H 1 7.344 0.019 . . . . . . 142 ALA H . 6732 1 1247 . 1 1 142 142 ALA C C 13 173.215 0 . . . . . . 142 ALA C . 6732 1 1248 . 1 1 142 142 ALA CA C 13 52.931 0 . . . . . . 142 ALA CA . 6732 1 1249 . 1 1 142 142 ALA CB C 13 67.519 0 . . . . . . 142 ALA CB . 6732 1 1250 . 1 1 143 143 GLU H H 1 7.919 0.017 . . . . . . 143 GLU H . 6732 1 1251 . 1 1 143 143 GLU CA C 13 58.444 0 . . . . . . 143 GLU CA . 6732 1 1252 . 1 1 143 143 GLU CB C 13 30.782 0 . . . . . . 143 GLU CB . 6732 1 1253 . 1 1 143 143 GLU N N 15 125.178 0.057 . . . . . . 143 GLU N . 6732 1 stop_ save_ save_concentration_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode concentration_1 _Assigned_chem_shift_list.Entry_ID 6732 _Assigned_chem_shift_list.ID 2 _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 '1H15N chemical shifts at 300uM derCD23 concentration' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_2 isotropic 6732 2 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 4 4 VAL H H 1 8.349 0.000 . . . . . . 4 VAL H . 6732 2 2 . 1 1 4 4 VAL N N 15 122.240 0.000 . . . . . . 4 VAL N . 6732 2 3 . 1 1 6 6 ASN H H 1 8.579 0.000 . . . . . . 6 ASN H . 6732 2 4 . 1 1 6 6 ASN N N 15 124.063 0.000 . . . . . . 6 ASN N . 6732 2 5 . 1 1 7 7 THR H H 1 8.047 0.000 . . . . . . 7 THR H . 6732 2 6 . 1 1 7 7 THR N N 15 116.762 0.000 . . . . . . 7 THR N . 6732 2 7 . 1 1 8 8 CYS H H 1 9.322 0.000 . . . . . . 8 CYS H . 6732 2 8 . 1 1 8 8 CYS N N 15 126.784 0.000 . . . . . . 8 CYS N . 6732 2 9 . 1 1 10 10 GLU H H 1 8.537 0.000 . . . . . . 10 GLU H . 6732 2 10 . 1 1 10 10 GLU N N 15 121.746 0.000 . . . . . . 10 GLU N . 6732 2 11 . 1 1 11 11 LYS H H 1 8.789 0.000 . . . . . . 11 LYS H . 6732 2 12 . 1 1 11 11 LYS N N 15 115.217 0.000 . . . . . . 11 LYS N . 6732 2 13 . 1 1 12 12 TRP H H 1 8.522 0.000 . . . . . . 12 TRP H . 6732 2 14 . 1 1 12 12 TRP HE1 H 1 10.444 0.000 . . . . . . 12 TRP HE1 . 6732 2 15 . 1 1 12 12 TRP N N 15 119.761 0.000 . . . . . . 12 TRP N . 6732 2 16 . 1 1 12 12 TRP NE1 N 15 132.417 0.000 . . . . . . 12 TRP NE1 . 6732 2 17 . 1 1 13 13 ILE H H 1 9.837 0.000 . . . . . . 13 ILE H . 6732 2 18 . 1 1 13 13 ILE N N 15 120.595 0.000 . . . . . . 13 ILE N . 6732 2 19 . 1 1 14 14 ASN H H 1 9.101 0.000 . . . . . . 14 ASN H . 6732 2 20 . 1 1 14 14 ASN HD21 H 1 7.203 0.000 . . . . . . 14 ASN HD21 . 6732 2 21 . 1 1 14 14 ASN HD22 H 1 6.411 0.000 . . . . . . 14 ASN HD22 . 6732 2 22 . 1 1 14 14 ASN N N 15 125.644 0.000 . . . . . . 14 ASN N . 6732 2 23 . 1 1 14 14 ASN ND2 N 15 109.339 0.008 . . . . . . 14 ASN ND2 . 6732 2 24 . 1 1 15 15 PHE H H 1 8.371 0.000 . . . . . . 15 PHE H . 6732 2 25 . 1 1 15 15 PHE N N 15 124.425 0.000 . . . . . . 15 PHE N . 6732 2 26 . 1 1 16 16 GLN H H 1 8.609 0.000 . . . . . . 16 GLN H . 6732 2 27 . 1 1 16 16 GLN HE21 H 1 7.007 0.000 . . . . . . 16 GLN HE21 . 6732 2 28 . 1 1 16 16 GLN HE22 H 1 6.857 0.000 . . . . . . 16 GLN HE22 . 6732 2 29 . 1 1 16 16 GLN N N 15 125.359 0.000 . . . . . . 16 GLN N . 6732 2 30 . 1 1 16 16 GLN NE2 N 15 110.388 0.006 . . . . . . 16 GLN NE2 . 6732 2 31 . 1 1 18 18 LYS H H 1 8.069 0.000 . . . . . . 18 LYS H . 6732 2 32 . 1 1 18 18 LYS N N 15 119.139 0.000 . . . . . . 18 LYS N . 6732 2 33 . 1 1 19 19 CYS H H 1 8.949 0.000 . . . . . . 19 CYS H . 6732 2 34 . 1 1 19 19 CYS N N 15 119.133 0.000 . . . . . . 19 CYS N . 6732 2 35 . 1 1 20 20 TYR H H 1 9.744 0.000 . . . . . . 20 TYR H . 6732 2 36 . 1 1 20 20 TYR N N 15 120.328 0.000 . . . . . . 20 TYR N . 6732 2 37 . 1 1 21 21 TYR H H 1 8.483 0.000 . . . . . . 21 TYR H . 6732 2 38 . 1 1 21 21 TYR N N 15 123.549 0.000 . . . . . . 21 TYR N . 6732 2 39 . 1 1 22 22 PHE H H 1 7.610 0.000 . . . . . . 22 PHE H . 6732 2 40 . 1 1 22 22 PHE N N 15 127.557 0.000 . . . . . . 22 PHE N . 6732 2 41 . 1 1 23 23 GLY H H 1 7.774 0.000 . . . . . . 23 GLY H . 6732 2 42 . 1 1 23 23 GLY N N 15 112.465 0.000 . . . . . . 23 GLY N . 6732 2 43 . 1 1 24 24 LYS H H 1 7.632 0.000 . . . . . . 24 LYS H . 6732 2 44 . 1 1 24 24 LYS N N 15 121.139 0.000 . . . . . . 24 LYS N . 6732 2 45 . 1 1 25 25 GLY H H 1 8.052 0.000 . . . . . . 25 GLY H . 6732 2 46 . 1 1 25 25 GLY N N 15 114.242 0.000 . . . . . . 25 GLY N . 6732 2 47 . 1 1 28 28 GLN H H 1 7.365 0.000 . . . . . . 28 GLN H . 6732 2 48 . 1 1 28 28 GLN N N 15 122.916 0.000 . . . . . . 28 GLN N . 6732 2 49 . 1 1 29 29 TRP H H 1 7.483 0.000 . . . . . . 29 TRP H . 6732 2 50 . 1 1 29 29 TRP HE1 H 1 10.421 0.000 . . . . . . 29 TRP HE1 . 6732 2 51 . 1 1 29 29 TRP N N 15 122.939 0.000 . . . . . . 29 TRP N . 6732 2 52 . 1 1 29 29 TRP NE1 N 15 128.937 0.000 . . . . . . 29 TRP NE1 . 6732 2 53 . 1 1 30 30 VAL H H 1 9.261 0.000 . . . . . . 30 VAL H . 6732 2 54 . 1 1 30 30 VAL N N 15 115.113 0.000 . . . . . . 30 VAL N . 6732 2 55 . 1 1 31 31 HIS H H 1 6.345 0.000 . . . . . . 31 HIS H . 6732 2 56 . 1 1 31 31 HIS N N 15 118.097 0.000 . . . . . . 31 HIS N . 6732 2 57 . 1 1 32 32 ALA H H 1 7.932 0.000 . . . . . . 32 ALA H . 6732 2 58 . 1 1 32 32 ALA N N 15 126.534 0.000 . . . . . . 32 ALA N . 6732 2 59 . 1 1 33 33 ARG H H 1 7.729 0.000 . . . . . . 33 ARG H . 6732 2 60 . 1 1 33 33 ARG N N 15 119.900 0.000 . . . . . . 33 ARG N . 6732 2 61 . 1 1 34 34 TYR H H 1 7.874 0.000 . . . . . . 34 TYR H . 6732 2 62 . 1 1 34 34 TYR N N 15 118.574 0.000 . . . . . . 34 TYR N . 6732 2 63 . 1 1 35 35 ALA H H 1 7.797 0.000 . . . . . . 35 ALA H . 6732 2 64 . 1 1 35 35 ALA N N 15 122.559 0.000 . . . . . . 35 ALA N . 6732 2 65 . 1 1 36 36 CYS H H 1 7.814 0.000 . . . . . . 36 CYS H . 6732 2 66 . 1 1 36 36 CYS N N 15 113.721 0.000 . . . . . . 36 CYS N . 6732 2 67 . 1 1 37 37 ASP H H 1 7.967 0.000 . . . . . . 37 ASP H . 6732 2 68 . 1 1 37 37 ASP N N 15 123.917 0.000 . . . . . . 37 ASP N . 6732 2 69 . 1 1 38 38 ASP H H 1 8.508 0.000 . . . . . . 38 ASP H . 6732 2 70 . 1 1 38 38 ASP N N 15 120.450 0.000 . . . . . . 38 ASP N . 6732 2 71 . 1 1 39 39 MET H H 1 7.416 0.000 . . . . . . 39 MET H . 6732 2 72 . 1 1 39 39 MET N N 15 116.855 0.000 . . . . . . 39 MET N . 6732 2 73 . 1 1 40 40 GLU H H 1 8.059 0.000 . . . . . . 40 GLU H . 6732 2 74 . 1 1 40 40 GLU N N 15 113.000 0.000 . . . . . . 40 GLU N . 6732 2 75 . 1 1 41 41 GLY H H 1 8.041 0.000 . . . . . . 41 GLY H . 6732 2 76 . 1 1 41 41 GLY N N 15 105.899 0.000 . . . . . . 41 GLY N . 6732 2 77 . 1 1 42 42 GLN H H 1 8.988 0.000 . . . . . . 42 GLN H . 6732 2 78 . 1 1 42 42 GLN HE21 H 1 7.880 0.000 . . . . . . 42 GLN HE21 . 6732 2 79 . 1 1 42 42 GLN HE22 H 1 6.647 0.000 . . . . . . 42 GLN HE22 . 6732 2 80 . 1 1 42 42 GLN N N 15 116.367 0.000 . . . . . . 42 GLN N . 6732 2 81 . 1 1 42 42 GLN NE2 N 15 112.146 0.001 . . . . . . 42 GLN NE2 . 6732 2 82 . 1 1 43 43 LEU H H 1 8.528 0.000 . . . . . . 43 LEU H . 6732 2 83 . 1 1 43 43 LEU N N 15 125.423 0.000 . . . . . . 43 LEU N . 6732 2 84 . 1 1 44 44 VAL H H 1 8.216 0.000 . . . . . . 44 VAL H . 6732 2 85 . 1 1 44 44 VAL N N 15 120.769 0.000 . . . . . . 44 VAL N . 6732 2 86 . 1 1 45 45 SER H H 1 8.051 0.000 . . . . . . 45 SER H . 6732 2 87 . 1 1 45 45 SER N N 15 120.838 0.000 . . . . . . 45 SER N . 6732 2 88 . 1 1 46 46 ILE H H 1 3.443 0.000 . . . . . . 46 ILE H . 6732 2 89 . 1 1 46 46 ILE N N 15 117.724 0.000 . . . . . . 46 ILE N . 6732 2 90 . 1 1 47 47 HIS H H 1 8.783 0.000 . . . . . . 47 HIS H . 6732 2 91 . 1 1 47 47 HIS N N 15 120.838 0.000 . . . . . . 47 HIS N . 6732 2 92 . 1 1 48 48 SER H H 1 7.157 0.000 . . . . . . 48 SER H . 6732 2 93 . 1 1 48 48 SER N N 15 111.773 0.000 . . . . . . 48 SER N . 6732 2 94 . 1 1 50 50 GLU H H 1 8.893 0.000 . . . . . . 50 GLU H . 6732 2 95 . 1 1 50 50 GLU N N 15 119.111 0.000 . . . . . . 50 GLU N . 6732 2 96 . 1 1 51 51 GLU H H 1 7.835 0.000 . . . . . . 51 GLU H . 6732 2 97 . 1 1 51 51 GLU N N 15 121.674 0.000 . . . . . . 51 GLU N . 6732 2 98 . 1 1 52 52 GLN H H 1 7.729 0.000 . . . . . . 52 GLN H . 6732 2 99 . 1 1 52 52 GLN HE21 H 1 7.117 0.000 . . . . . . 52 GLN HE21 . 6732 2 100 . 1 1 52 52 GLN HE22 H 1 6.468 0.000 . . . . . . 52 GLN HE22 . 6732 2 101 . 1 1 52 52 GLN N N 15 118.097 0.000 . . . . . . 52 GLN N . 6732 2 102 . 1 1 52 52 GLN NE2 N 15 115.516 0.015 . . . . . . 52 GLN NE2 . 6732 2 103 . 1 1 53 53 ASP H H 1 8.583 0.000 . . . . . . 53 ASP H . 6732 2 104 . 1 1 53 53 ASP N N 15 120.156 0.000 . . . . . . 53 ASP N . 6732 2 105 . 1 1 54 54 PHE H H 1 7.326 0.000 . . . . . . 54 PHE H . 6732 2 106 . 1 1 54 54 PHE N N 15 120.033 0.000 . . . . . . 54 PHE N . 6732 2 107 . 1 1 55 55 LEU H H 1 8.007 0.000 . . . . . . 55 LEU H . 6732 2 108 . 1 1 55 55 LEU N N 15 119.624 0.000 . . . . . . 55 LEU N . 6732 2 109 . 1 1 56 56 THR H H 1 8.988 0.000 . . . . . . 56 THR H . 6732 2 110 . 1 1 56 56 THR N N 15 116.367 0.000 . . . . . . 56 THR N . 6732 2 111 . 1 1 57 57 LYS H H 1 7.290 0.000 . . . . . . 57 LYS H . 6732 2 112 . 1 1 57 57 LYS N N 15 118.206 0.000 . . . . . . 57 LYS N . 6732 2 113 . 1 1 58 58 HIS H H 1 6.902 0.000 . . . . . . 58 HIS H . 6732 2 114 . 1 1 58 58 HIS N N 15 114.550 0.000 . . . . . . 58 HIS N . 6732 2 115 . 1 1 59 59 ALA H H 1 7.324 0.000 . . . . . . 59 ALA H . 6732 2 116 . 1 1 59 59 ALA N N 15 123.011 0.000 . . . . . . 59 ALA N . 6732 2 117 . 1 1 60 60 SER H H 1 8.513 0.000 . . . . . . 60 SER H . 6732 2 118 . 1 1 60 60 SER N N 15 114.052 0.000 . . . . . . 60 SER N . 6732 2 119 . 1 1 63 63 GLY H H 1 7.027 0.000 . . . . . . 63 GLY H . 6732 2 120 . 1 1 63 63 GLY N N 15 109.372 0.000 . . . . . . 63 GLY N . 6732 2 121 . 1 1 64 64 SER H H 1 8.571 0.000 . . . . . . 64 SER H . 6732 2 122 . 1 1 64 64 SER N N 15 114.429 0.000 . . . . . . 64 SER N . 6732 2 123 . 1 1 65 65 TRP H H 1 8.371 0.000 . . . . . . 65 TRP H . 6732 2 124 . 1 1 65 65 TRP HE1 H 1 10.314 0.000 . . . . . . 65 TRP HE1 . 6732 2 125 . 1 1 65 65 TRP N N 15 124.425 0.000 . . . . . . 65 TRP N . 6732 2 126 . 1 1 65 65 TRP NE1 N 15 129.423 0.000 . . . . . . 65 TRP NE1 . 6732 2 127 . 1 1 66 66 ILE H H 1 8.113 0.000 . . . . . . 66 ILE H . 6732 2 128 . 1 1 66 66 ILE N N 15 110.105 0.000 . . . . . . 66 ILE N . 6732 2 129 . 1 1 67 67 GLY H H 1 9.500 0.000 . . . . . . 67 GLY H . 6732 2 130 . 1 1 67 67 GLY N N 15 109.971 0.000 . . . . . . 67 GLY N . 6732 2 131 . 1 1 68 68 LEU H H 1 7.353 0.000 . . . . . . 68 LEU H . 6732 2 132 . 1 1 68 68 LEU N N 15 125.491 0.000 . . . . . . 68 LEU N . 6732 2 133 . 1 1 69 69 ARG H H 1 7.565 0.000 . . . . . . 69 ARG H . 6732 2 134 . 1 1 69 69 ARG N N 15 120.234 0.000 . . . . . . 69 ARG N . 6732 2 135 . 1 1 70 70 ASN H H 1 8.787 0.000 . . . . . . 70 ASN H . 6732 2 136 . 1 1 70 70 ASN HD21 H 1 6.790 0.000 . . . . . . 70 ASN HD21 . 6732 2 137 . 1 1 70 70 ASN HD22 H 1 6.306 0.000 . . . . . . 70 ASN HD22 . 6732 2 138 . 1 1 70 70 ASN N N 15 122.107 0.000 . . . . . . 70 ASN N . 6732 2 139 . 1 1 70 70 ASN ND2 N 15 108.668 0.015 . . . . . . 70 ASN ND2 . 6732 2 140 . 1 1 71 71 LEU H H 1 7.866 0.000 . . . . . . 71 LEU H . 6732 2 141 . 1 1 71 71 LEU N N 15 126.838 0.000 . . . . . . 71 LEU N . 6732 2 142 . 1 1 74 74 LYS H H 1 7.809 0.000 . . . . . . 74 LYS H . 6732 2 143 . 1 1 74 74 LYS N N 15 117.160 0.000 . . . . . . 74 LYS N . 6732 2 144 . 1 1 75 75 GLY H H 1 8.559 0.000 . . . . . . 75 GLY H . 6732 2 145 . 1 1 75 75 GLY N N 15 108.703 0.000 . . . . . . 75 GLY N . 6732 2 146 . 1 1 76 76 GLU H H 1 7.519 0.000 . . . . . . 76 GLU H . 6732 2 147 . 1 1 76 76 GLU N N 15 119.183 0.000 . . . . . . 76 GLU N . 6732 2 148 . 1 1 77 77 PHE H H 1 8.704 0.000 . . . . . . 77 PHE H . 6732 2 149 . 1 1 77 77 PHE N N 15 123.672 0.000 . . . . . . 77 PHE N . 6732 2 150 . 1 1 78 78 ILE H H 1 8.444 0.000 . . . . . . 78 ILE H . 6732 2 151 . 1 1 78 78 ILE N N 15 122.978 0.000 . . . . . . 78 ILE N . 6732 2 152 . 1 1 79 79 TRP H H 1 8.671 0.000 . . . . . . 79 TRP H . 6732 2 153 . 1 1 79 79 TRP HE1 H 1 10.119 0.000 . . . . . . 79 TRP HE1 . 6732 2 154 . 1 1 79 79 TRP N N 15 130.007 0.000 . . . . . . 79 TRP N . 6732 2 155 . 1 1 79 79 TRP NE1 N 15 129.096 0.000 . . . . . . 79 TRP NE1 . 6732 2 156 . 1 1 80 80 VAL H H 1 9.050 0.000 . . . . . . 80 VAL H . 6732 2 157 . 1 1 80 80 VAL N N 15 117.919 0.000 . . . . . . 80 VAL N . 6732 2 158 . 1 1 81 81 ASP H H 1 7.774 0.000 . . . . . . 81 ASP H . 6732 2 159 . 1 1 81 81 ASP N N 15 118.319 0.000 . . . . . . 81 ASP N . 6732 2 160 . 1 1 82 82 GLY H H 1 8.776 0.000 . . . . . . 82 GLY H . 6732 2 161 . 1 1 82 82 GLY N N 15 109.883 0.000 . . . . . . 82 GLY N . 6732 2 162 . 1 1 83 83 SER H H 1 8.545 0.000 . . . . . . 83 SER H . 6732 2 163 . 1 1 83 83 SER N N 15 117.816 0.000 . . . . . . 83 SER N . 6732 2 164 . 1 1 84 84 HIS H H 1 8.460 0.000 . . . . . . 84 HIS H . 6732 2 165 . 1 1 84 84 HIS N N 15 118.527 0.000 . . . . . . 84 HIS N . 6732 2 166 . 1 1 85 85 VAL H H 1 9.222 0.000 . . . . . . 85 VAL H . 6732 2 167 . 1 1 85 85 VAL N N 15 121.662 0.000 . . . . . . 85 VAL N . 6732 2 168 . 1 1 86 86 ASP H H 1 9.084 0.000 . . . . . . 86 ASP H . 6732 2 169 . 1 1 86 86 ASP N N 15 128.952 0.000 . . . . . . 86 ASP N . 6732 2 170 . 1 1 87 87 TYR H H 1 10.036 0.000 . . . . . . 87 TYR H . 6732 2 171 . 1 1 87 87 TYR N N 15 125.696 0.000 . . . . . . 87 TYR N . 6732 2 172 . 1 1 88 88 SER H H 1 7.187 0.000 . . . . . . 88 SER H . 6732 2 173 . 1 1 88 88 SER N N 15 118.934 0.000 . . . . . . 88 SER N . 6732 2 174 . 1 1 89 89 ASN H H 1 2.619 0.000 . . . . . . 89 ASN H . 6732 2 175 . 1 1 89 89 ASN HD21 H 1 7.083 0.000 . . . . . . 89 ASN HD21 . 6732 2 176 . 1 1 89 89 ASN HD22 H 1 6.075 0.000 . . . . . . 89 ASN HD22 . 6732 2 177 . 1 1 89 89 ASN N N 15 115.296 0.000 . . . . . . 89 ASN N . 6732 2 178 . 1 1 89 89 ASN ND2 N 15 111.894 0.348 . . . . . . 89 ASN ND2 . 6732 2 179 . 1 1 90 90 TRP H H 1 7.455 0.000 . . . . . . 90 TRP H . 6732 2 180 . 1 1 90 90 TRP HE1 H 1 10.218 0.000 . . . . . . 90 TRP HE1 . 6732 2 181 . 1 1 90 90 TRP N N 15 120.478 0.000 . . . . . . 90 TRP N . 6732 2 182 . 1 1 90 90 TRP NE1 N 15 127.984 0.000 . . . . . . 90 TRP NE1 . 6732 2 183 . 1 1 91 91 ALA H H 1 9.404 0.000 . . . . . . 91 ALA H . 6732 2 184 . 1 1 91 91 ALA N N 15 126.272 0.000 . . . . . . 91 ALA N . 6732 2 185 . 1 1 94 94 GLU H H 1 7.936 0.000 . . . . . . 94 GLU H . 6732 2 186 . 1 1 94 94 GLU N N 15 119.278 0.000 . . . . . . 94 GLU N . 6732 2 187 . 1 1 96 96 THR H H 1 7.729 0.000 . . . . . . 96 THR H . 6732 2 188 . 1 1 96 96 THR N N 15 119.900 0.000 . . . . . . 96 THR N . 6732 2 189 . 1 1 104 104 CYS H H 1 8.460 0.000 . . . . . . 104 CYS H . 6732 2 190 . 1 1 104 104 CYS N N 15 118.527 0.000 . . . . . . 104 CYS N . 6732 2 191 . 1 1 105 105 VAL H H 1 7.446 0.000 . . . . . . 105 VAL H . 6732 2 192 . 1 1 105 105 VAL N N 15 119.937 0.000 . . . . . . 105 VAL N . 6732 2 193 . 1 1 106 106 MET H H 1 8.783 0.000 . . . . . . 106 MET H . 6732 2 194 . 1 1 106 106 MET N N 15 120.838 0.000 . . . . . . 106 MET N . 6732 2 195 . 1 1 107 107 MET H H 1 9.442 0.000 . . . . . . 107 MET H . 6732 2 196 . 1 1 107 107 MET N N 15 119.783 0.000 . . . . . . 107 MET N . 6732 2 197 . 1 1 108 108 ARG H H 1 9.101 0.000 . . . . . . 108 ARG H . 6732 2 198 . 1 1 108 108 ARG N N 15 125.644 0.000 . . . . . . 108 ARG N . 6732 2 199 . 1 1 111 111 GLY H H 1 8.286 0.000 . . . . . . 111 GLY H . 6732 2 200 . 1 1 111 111 GLY N N 15 112.327 0.000 . . . . . . 111 GLY N . 6732 2 201 . 1 1 112 112 ARG H H 1 7.265 0.000 . . . . . . 112 ARG H . 6732 2 202 . 1 1 112 112 ARG N N 15 116.316 0.000 . . . . . . 112 ARG N . 6732 2 203 . 1 1 113 113 TRP H H 1 8.396 0.000 . . . . . . 113 TRP H . 6732 2 204 . 1 1 113 113 TRP HE1 H 1 10.933 0.000 . . . . . . 113 TRP HE1 . 6732 2 205 . 1 1 113 113 TRP N N 15 120.271 0.000 . . . . . . 113 TRP N . 6732 2 206 . 1 1 113 113 TRP NE1 N 15 130.142 0.000 . . . . . . 113 TRP NE1 . 6732 2 207 . 1 1 114 114 ASN H H 1 9.216 0.000 . . . . . . 114 ASN H . 6732 2 208 . 1 1 114 114 ASN HD21 H 1 7.352 0.000 . . . . . . 114 ASN HD21 . 6732 2 209 . 1 1 114 114 ASN HD22 H 1 6.620 0.000 . . . . . . 114 ASN HD22 . 6732 2 210 . 1 1 114 114 ASN N N 15 116.317 0.000 . . . . . . 114 ASN N . 6732 2 211 . 1 1 114 114 ASN ND2 N 15 110.039 0.033 . . . . . . 114 ASN ND2 . 6732 2 212 . 1 1 115 115 ASP H H 1 9.229 0.000 . . . . . . 115 ASP H . 6732 2 213 . 1 1 115 115 ASP N N 15 122.861 0.000 . . . . . . 115 ASP N . 6732 2 214 . 1 1 116 116 ALA H H 1 9.461 0.000 . . . . . . 116 ALA H . 6732 2 215 . 1 1 116 116 ALA N N 15 126.694 0.000 . . . . . . 116 ALA N . 6732 2 216 . 1 1 117 117 PHE H H 1 8.475 0.000 . . . . . . 117 PHE H . 6732 2 217 . 1 1 117 117 PHE N N 15 119.641 0.000 . . . . . . 117 PHE N . 6732 2 218 . 1 1 118 118 CYS H H 1 9.047 0.000 . . . . . . 118 CYS H . 6732 2 219 . 1 1 118 118 CYS N N 15 120.581 0.000 . . . . . . 118 CYS N . 6732 2 220 . 1 1 119 119 ASP H H 1 8.520 0.000 . . . . . . 119 ASP H . 6732 2 221 . 1 1 119 119 ASP N N 15 117.162 0.000 . . . . . . 119 ASP N . 6732 2 222 . 1 1 120 120 ARG H H 1 7.925 0.000 . . . . . . 120 ARG H . 6732 2 223 . 1 1 120 120 ARG N N 15 122.693 0.000 . . . . . . 120 ARG N . 6732 2 224 . 1 1 121 121 LYS H H 1 8.461 0.000 . . . . . . 121 LYS H . 6732 2 225 . 1 1 121 121 LYS N N 15 122.152 0.000 . . . . . . 121 LYS N . 6732 2 226 . 1 1 122 122 LEU H H 1 8.054 0.000 . . . . . . 122 LEU H . 6732 2 227 . 1 1 122 122 LEU N N 15 124.434 0.000 . . . . . . 122 LEU N . 6732 2 228 . 1 1 124 124 ALA H H 1 7.442 0.000 . . . . . . 124 ALA H . 6732 2 229 . 1 1 124 124 ALA N N 15 119.145 0.000 . . . . . . 124 ALA N . 6732 2 230 . 1 1 125 125 TRP H H 1 7.630 0.000 . . . . . . 125 TRP H . 6732 2 231 . 1 1 125 125 TRP HE1 H 1 10.383 0.000 . . . . . . 125 TRP HE1 . 6732 2 232 . 1 1 125 125 TRP N N 15 116.173 0.000 . . . . . . 125 TRP N . 6732 2 233 . 1 1 125 125 TRP NE1 N 15 132.150 0.000 . . . . . . 125 TRP NE1 . 6732 2 234 . 1 1 126 126 VAL H H 1 7.290 0.000 . . . . . . 126 VAL H . 6732 2 235 . 1 1 126 126 VAL N N 15 118.206 0.000 . . . . . . 126 VAL N . 6732 2 236 . 1 1 127 127 CYS H H 1 9.229 0.000 . . . . . . 127 CYS H . 6732 2 237 . 1 1 127 127 CYS N N 15 122.861 0.000 . . . . . . 127 CYS N . 6732 2 238 . 1 1 128 128 ASP H H 1 10.278 0.000 . . . . . . 128 ASP H . 6732 2 239 . 1 1 128 128 ASP N N 15 120.399 0.000 . . . . . . 128 ASP N . 6732 2 240 . 1 1 129 129 ARG H H 1 7.992 0.000 . . . . . . 129 ARG H . 6732 2 241 . 1 1 129 129 ARG N N 15 110.744 0.000 . . . . . . 129 ARG N . 6732 2 242 . 1 1 130 130 LEU H H 1 8.581 0.000 . . . . . . 130 LEU H . 6732 2 243 . 1 1 130 130 LEU N N 15 121.390 0.000 . . . . . . 130 LEU N . 6732 2 244 . 1 1 131 131 ALA H H 1 8.252 0.000 . . . . . . 131 ALA H . 6732 2 245 . 1 1 131 131 ALA N N 15 124.782 0.000 . . . . . . 131 ALA N . 6732 2 246 . 1 1 132 132 THR H H 1 8.703 0.000 . . . . . . 132 THR H . 6732 2 247 . 1 1 132 132 THR N N 15 114.594 0.000 . . . . . . 132 THR N . 6732 2 248 . 1 1 133 133 CYS H H 1 9.219 0.000 . . . . . . 133 CYS H . 6732 2 249 . 1 1 133 133 CYS N N 15 125.395 0.000 . . . . . . 133 CYS N . 6732 2 250 . 1 1 143 143 GLU H H 1 7.913 0.000 . . . . . . 143 GLU H . 6732 2 251 . 1 1 143 143 GLU N N 15 125.229 0.000 . . . . . . 143 GLU N . 6732 2 stop_ save_ save_concentration_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode concentration_2 _Assigned_chem_shift_list.Entry_ID 6732 _Assigned_chem_shift_list.ID 3 _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 '1H15N chemical shifts at 2.3mM derCD23 concentration' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_3 isotropic 6732 3 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 4 4 VAL H H 1 8.334 0.000 . . . . . . 4 VAL H . 6732 3 2 . 1 1 4 4 VAL N N 15 121.921 0.000 . . . . . . 4 VAL N . 6732 3 3 . 1 1 6 6 ASN H H 1 8.591 0.000 . . . . . . 6 ASN H . 6732 3 4 . 1 1 6 6 ASN N N 15 123.960 0.000 . . . . . . 6 ASN N . 6732 3 5 . 1 1 7 7 THR H H 1 8.047 0.000 . . . . . . 7 THR H . 6732 3 6 . 1 1 7 7 THR N N 15 116.643 0.000 . . . . . . 7 THR N . 6732 3 7 . 1 1 8 8 CYS H H 1 9.326 0.000 . . . . . . 8 CYS H . 6732 3 8 . 1 1 8 8 CYS N N 15 126.711 0.000 . . . . . . 8 CYS N . 6732 3 9 . 1 1 10 10 GLU H H 1 8.530 0.000 . . . . . . 10 GLU H . 6732 3 10 . 1 1 10 10 GLU N N 15 121.681 0.000 . . . . . . 10 GLU N . 6732 3 11 . 1 1 11 11 LYS H H 1 8.788 0.000 . . . . . . 11 LYS H . 6732 3 12 . 1 1 11 11 LYS N N 15 115.186 0.000 . . . . . . 11 LYS N . 6732 3 13 . 1 1 12 12 TRP H H 1 8.548 0.000 . . . . . . 12 TRP H . 6732 3 14 . 1 1 12 12 TRP HE1 H 1 10.434 0.000 . . . . . . 12 TRP HE1 . 6732 3 15 . 1 1 12 12 TRP N N 15 119.666 0.000 . . . . . . 12 TRP N . 6732 3 16 . 1 1 12 12 TRP NE1 N 15 132.244 0.000 . . . . . . 12 TRP NE1 . 6732 3 17 . 1 1 13 13 ILE H H 1 9.852 0.000 . . . . . . 13 ILE H . 6732 3 18 . 1 1 13 13 ILE N N 15 120.859 0.000 . . . . . . 13 ILE N . 6732 3 19 . 1 1 14 14 ASN H H 1 9.082 0.000 . . . . . . 14 ASN H . 6732 3 20 . 1 1 14 14 ASN HD21 H 1 7.207 0.000 . . . . . . 14 ASN HD21 . 6732 3 21 . 1 1 14 14 ASN HD22 H 1 6.434 0.000 . . . . . . 14 ASN HD22 . 6732 3 22 . 1 1 14 14 ASN N N 15 125.599 0.000 . . . . . . 14 ASN N . 6732 3 23 . 1 1 14 14 ASN ND2 N 15 109.289 0.010 . . . . . . 14 ASN ND2 . 6732 3 24 . 1 1 15 15 PHE H H 1 8.356 0.000 . . . . . . 15 PHE H . 6732 3 25 . 1 1 15 15 PHE N N 15 124.335 0.000 . . . . . . 15 PHE N . 6732 3 26 . 1 1 16 16 GLN H H 1 8.603 0.000 . . . . . . 16 GLN H . 6732 3 27 . 1 1 16 16 GLN HE21 H 1 6.999 0.000 . . . . . . 16 GLN HE21 . 6732 3 28 . 1 1 16 16 GLN HE22 H 1 6.853 0.000 . . . . . . 16 GLN HE22 . 6732 3 29 . 1 1 16 16 GLN N N 15 125.319 0.000 . . . . . . 16 GLN N . 6732 3 30 . 1 1 16 16 GLN NE2 N 15 110.299 0.003 . . . . . . 16 GLN NE2 . 6732 3 31 . 1 1 18 18 LYS H H 1 8.080 0.000 . . . . . . 18 LYS H . 6732 3 32 . 1 1 18 18 LYS N N 15 119.029 0.000 . . . . . . 18 LYS N . 6732 3 33 . 1 1 19 19 CYS H H 1 8.961 0.000 . . . . . . 19 CYS H . 6732 3 34 . 1 1 19 19 CYS N N 15 119.026 0.000 . . . . . . 19 CYS N . 6732 3 35 . 1 1 20 20 TYR H H 1 9.772 0.000 . . . . . . 20 TYR H . 6732 3 36 . 1 1 20 20 TYR N N 15 120.332 0.000 . . . . . . 20 TYR N . 6732 3 37 . 1 1 21 21 TYR H H 1 8.479 0.000 . . . . . . 21 TYR H . 6732 3 38 . 1 1 21 21 TYR N N 15 123.403 0.000 . . . . . . 21 TYR N . 6732 3 39 . 1 1 22 22 PHE H H 1 7.620 0.000 . . . . . . 22 PHE H . 6732 3 40 . 1 1 22 22 PHE N N 15 127.607 0.000 . . . . . . 22 PHE N . 6732 3 41 . 1 1 23 23 GLY H H 1 7.781 0.000 . . . . . . 23 GLY H . 6732 3 42 . 1 1 23 23 GLY N N 15 112.304 0.000 . . . . . . 23 GLY N . 6732 3 43 . 1 1 24 24 LYS H H 1 7.627 0.000 . . . . . . 24 LYS H . 6732 3 44 . 1 1 24 24 LYS N N 15 121.045 0.000 . . . . . . 24 LYS N . 6732 3 45 . 1 1 25 25 GLY H H 1 8.069 0.000 . . . . . . 25 GLY H . 6732 3 46 . 1 1 25 25 GLY N N 15 114.109 0.000 . . . . . . 25 GLY N . 6732 3 47 . 1 1 28 28 GLN H H 1 7.338 0.000 . . . . . . 28 GLN H . 6732 3 48 . 1 1 28 28 GLN N N 15 122.805 0.000 . . . . . . 28 GLN N . 6732 3 49 . 1 1 29 29 TRP H H 1 7.489 0.000 . . . . . . 29 TRP H . 6732 3 50 . 1 1 29 29 TRP HE1 H 1 10.447 0.000 . . . . . . 29 TRP HE1 . 6732 3 51 . 1 1 29 29 TRP N N 15 122.897 0.000 . . . . . . 29 TRP N . 6732 3 52 . 1 1 29 29 TRP NE1 N 15 128.945 0.000 . . . . . . 29 TRP NE1 . 6732 3 53 . 1 1 30 30 VAL H H 1 9.256 0.000 . . . . . . 30 VAL H . 6732 3 54 . 1 1 30 30 VAL N N 15 115.013 0.000 . . . . . . 30 VAL N . 6732 3 55 . 1 1 31 31 HIS H H 1 6.367 0.000 . . . . . . 31 HIS H . 6732 3 56 . 1 1 31 31 HIS N N 15 118.072 0.000 . . . . . . 31 HIS N . 6732 3 57 . 1 1 32 32 ALA H H 1 7.932 0.000 . . . . . . 32 ALA H . 6732 3 58 . 1 1 32 32 ALA N N 15 126.280 0.000 . . . . . . 32 ALA N . 6732 3 59 . 1 1 33 33 ARG H H 1 7.707 0.000 . . . . . . 33 ARG H . 6732 3 60 . 1 1 33 33 ARG N N 15 119.773 0.000 . . . . . . 33 ARG N . 6732 3 61 . 1 1 34 34 TYR H H 1 7.851 0.000 . . . . . . 34 TYR H . 6732 3 62 . 1 1 34 34 TYR N N 15 118.437 0.000 . . . . . . 34 TYR N . 6732 3 63 . 1 1 35 35 ALA H H 1 7.817 0.000 . . . . . . 35 ALA H . 6732 3 64 . 1 1 35 35 ALA N N 15 122.363 0.000 . . . . . . 35 ALA N . 6732 3 65 . 1 1 36 36 CYS H H 1 7.818 0.000 . . . . . . 36 CYS H . 6732 3 66 . 1 1 36 36 CYS N N 15 113.521 0.000 . . . . . . 36 CYS N . 6732 3 67 . 1 1 37 37 ASP H H 1 7.948 0.000 . . . . . . 37 ASP H . 6732 3 68 . 1 1 37 37 ASP N N 15 123.749 0.000 . . . . . . 37 ASP N . 6732 3 69 . 1 1 38 38 ASP H H 1 8.499 0.000 . . . . . . 38 ASP H . 6732 3 70 . 1 1 38 38 ASP N N 15 120.218 0.000 . . . . . . 38 ASP N . 6732 3 71 . 1 1 39 39 MET H H 1 7.429 0.000 . . . . . . 39 MET H . 6732 3 72 . 1 1 39 39 MET N N 15 116.780 0.000 . . . . . . 39 MET N . 6732 3 73 . 1 1 40 40 GLU H H 1 8.073 0.000 . . . . . . 40 GLU H . 6732 3 74 . 1 1 40 40 GLU N N 15 112.905 0.000 . . . . . . 40 GLU N . 6732 3 75 . 1 1 41 41 GLY H H 1 8.058 0.000 . . . . . . 41 GLY H . 6732 3 76 . 1 1 41 41 GLY N N 15 105.829 0.000 . . . . . . 41 GLY N . 6732 3 77 . 1 1 42 42 GLN H H 1 8.997 0.000 . . . . . . 42 GLN H . 6732 3 78 . 1 1 42 42 GLN HE21 H 1 7.898 0.000 . . . . . . 42 GLN HE21 . 6732 3 79 . 1 1 42 42 GLN HE22 H 1 6.644 0.000 . . . . . . 42 GLN HE22 . 6732 3 80 . 1 1 42 42 GLN N N 15 116.391 0.000 . . . . . . 42 GLN N . 6732 3 81 . 1 1 42 42 GLN NE2 N 15 112.041 0.001 . . . . . . 42 GLN NE2 . 6732 3 82 . 1 1 43 43 LEU H H 1 8.597 0.000 . . . . . . 43 LEU H . 6732 3 83 . 1 1 43 43 LEU N N 15 124.935 0.000 . . . . . . 43 LEU N . 6732 3 84 . 1 1 44 44 VAL H H 1 8.227 0.000 . . . . . . 44 VAL H . 6732 3 85 . 1 1 44 44 VAL N N 15 120.601 0.000 . . . . . . 44 VAL N . 6732 3 86 . 1 1 45 45 SER H H 1 8.050 0.000 . . . . . . 45 SER H . 6732 3 87 . 1 1 45 45 SER N N 15 120.804 0.000 . . . . . . 45 SER N . 6732 3 88 . 1 1 46 46 ILE H H 1 3.476 0.000 . . . . . . 46 ILE H . 6732 3 89 . 1 1 46 46 ILE N N 15 117.748 0.000 . . . . . . 46 ILE N . 6732 3 90 . 1 1 47 47 HIS H H 1 8.793 0.000 . . . . . . 47 HIS H . 6732 3 91 . 1 1 47 47 HIS N N 15 120.888 0.000 . . . . . . 47 HIS N . 6732 3 92 . 1 1 48 48 SER H H 1 7.177 0.000 . . . . . . 48 SER H . 6732 3 93 . 1 1 48 48 SER N N 15 111.728 0.000 . . . . . . 48 SER N . 6732 3 94 . 1 1 50 50 GLU H H 1 8.878 0.000 . . . . . . 50 GLU H . 6732 3 95 . 1 1 50 50 GLU N N 15 118.816 0.000 . . . . . . 50 GLU N . 6732 3 96 . 1 1 51 51 GLU H H 1 7.819 0.000 . . . . . . 51 GLU H . 6732 3 97 . 1 1 51 51 GLU N N 15 121.480 0.000 . . . . . . 51 GLU N . 6732 3 98 . 1 1 52 52 GLN H H 1 7.716 0.000 . . . . . . 52 GLN H . 6732 3 99 . 1 1 52 52 GLN HE21 H 1 7.099 0.000 . . . . . . 52 GLN HE21 . 6732 3 100 . 1 1 52 52 GLN HE22 H 1 6.481 0.000 . . . . . . 52 GLN HE22 . 6732 3 101 . 1 1 52 52 GLN N N 15 118.042 0.000 . . . . . . 52 GLN N . 6732 3 102 . 1 1 52 52 GLN NE2 N 15 115.271 0.001 . . . . . . 52 GLN NE2 . 6732 3 103 . 1 1 53 53 ASP H H 1 8.582 0.000 . . . . . . 53 ASP H . 6732 3 104 . 1 1 53 53 ASP N N 15 120.142 0.000 . . . . . . 53 ASP N . 6732 3 105 . 1 1 54 54 PHE H H 1 7.347 0.000 . . . . . . 54 PHE H . 6732 3 106 . 1 1 54 54 PHE N N 15 119.780 0.000 . . . . . . 54 PHE N . 6732 3 107 . 1 1 55 55 LEU H H 1 7.995 0.000 . . . . . . 55 LEU H . 6732 3 108 . 1 1 55 55 LEU N N 15 119.967 0.000 . . . . . . 55 LEU N . 6732 3 109 . 1 1 56 56 THR H H 1 8.982 0.000 . . . . . . 56 THR H . 6732 3 110 . 1 1 56 56 THR N N 15 116.008 0.000 . . . . . . 56 THR N . 6732 3 111 . 1 1 57 57 LYS H H 1 7.233 0.000 . . . . . . 57 LYS H . 6732 3 112 . 1 1 57 57 LYS N N 15 118.590 0.000 . . . . . . 57 LYS N . 6732 3 113 . 1 1 58 58 HIS H H 1 6.745 0.000 . . . . . . 58 HIS H . 6732 3 114 . 1 1 58 58 HIS N N 15 115.003 0.000 . . . . . . 58 HIS N . 6732 3 115 . 1 1 59 59 ALA H H 1 7.338 0.000 . . . . . . 59 ALA H . 6732 3 116 . 1 1 59 59 ALA N N 15 122.805 0.000 . . . . . . 59 ALA N . 6732 3 117 . 1 1 60 60 SER H H 1 8.500 0.000 . . . . . . 60 SER H . 6732 3 118 . 1 1 60 60 SER N N 15 113.919 0.000 . . . . . . 60 SER N . 6732 3 119 . 1 1 63 63 GLY H H 1 7.049 0.000 . . . . . . 63 GLY H . 6732 3 120 . 1 1 63 63 GLY N N 15 109.158 0.000 . . . . . . 63 GLY N . 6732 3 121 . 1 1 64 64 SER H H 1 8.527 0.000 . . . . . . 64 SER H . 6732 3 122 . 1 1 64 64 SER N N 15 114.167 0.000 . . . . . . 64 SER N . 6732 3 123 . 1 1 65 65 TRP H H 1 8.356 0.000 . . . . . . 65 TRP H . 6732 3 124 . 1 1 65 65 TRP HE1 H 1 10.334 0.000 . . . . . . 65 TRP HE1 . 6732 3 125 . 1 1 65 65 TRP N N 15 124.335 0.000 . . . . . . 65 TRP N . 6732 3 126 . 1 1 65 65 TRP NE1 N 15 129.388 0.000 . . . . . . 65 TRP NE1 . 6732 3 127 . 1 1 66 66 ILE H H 1 8.154 0.000 . . . . . . 66 ILE H . 6732 3 128 . 1 1 66 66 ILE N N 15 110.069 0.000 . . . . . . 66 ILE N . 6732 3 129 . 1 1 67 67 GLY H H 1 9.524 0.000 . . . . . . 67 GLY H . 6732 3 130 . 1 1 67 67 GLY N N 15 109.958 0.000 . . . . . . 67 GLY N . 6732 3 131 . 1 1 68 68 LEU H H 1 7.370 0.000 . . . . . . 68 LEU H . 6732 3 132 . 1 1 68 68 LEU N N 15 125.363 0.000 . . . . . . 68 LEU N . 6732 3 133 . 1 1 69 69 ARG H H 1 7.583 0.000 . . . . . . 69 ARG H . 6732 3 134 . 1 1 69 69 ARG N N 15 120.292 0.000 . . . . . . 69 ARG N . 6732 3 135 . 1 1 70 70 ASN H H 1 8.842 0.000 . . . . . . 70 ASN H . 6732 3 136 . 1 1 70 70 ASN HD21 H 1 6.743 0.000 . . . . . . 70 ASN HD21 . 6732 3 137 . 1 1 70 70 ASN HD22 H 1 6.283 0.000 . . . . . . 70 ASN HD22 . 6732 3 138 . 1 1 70 70 ASN N N 15 122.251 0.000 . . . . . . 70 ASN N . 6732 3 139 . 1 1 70 70 ASN ND2 N 15 108.625 0.011 . . . . . . 70 ASN ND2 . 6732 3 140 . 1 1 71 71 LEU H H 1 7.861 0.000 . . . . . . 71 LEU H . 6732 3 141 . 1 1 71 71 LEU N N 15 126.592 0.000 . . . . . . 71 LEU N . 6732 3 142 . 1 1 74 74 LYS H H 1 7.799 0.000 . . . . . . 74 LYS H . 6732 3 143 . 1 1 74 74 LYS N N 15 117.303 0.000 . . . . . . 74 LYS N . 6732 3 144 . 1 1 75 75 GLY H H 1 8.563 0.000 . . . . . . 75 GLY H . 6732 3 145 . 1 1 75 75 GLY N N 15 108.674 0.000 . . . . . . 75 GLY N . 6732 3 146 . 1 1 76 76 GLU H H 1 7.461 0.000 . . . . . . 76 GLU H . 6732 3 147 . 1 1 76 76 GLU N N 15 118.637 0.000 . . . . . . 76 GLU N . 6732 3 148 . 1 1 77 77 PHE H H 1 8.665 0.000 . . . . . . 77 PHE H . 6732 3 149 . 1 1 77 77 PHE N N 15 123.022 0.000 . . . . . . 77 PHE N . 6732 3 150 . 1 1 78 78 ILE H H 1 8.479 0.000 . . . . . . 78 ILE H . 6732 3 151 . 1 1 78 78 ILE N N 15 123.403 0.000 . . . . . . 78 ILE N . 6732 3 152 . 1 1 79 79 TRP H H 1 8.699 0.000 . . . . . . 79 TRP H . 6732 3 153 . 1 1 79 79 TRP HE1 H 1 10.164 0.000 . . . . . . 79 TRP HE1 . 6732 3 154 . 1 1 79 79 TRP N N 15 129.888 0.000 . . . . . . 79 TRP N . 6732 3 155 . 1 1 79 79 TRP NE1 N 15 129.223 0.000 . . . . . . 79 TRP NE1 . 6732 3 156 . 1 1 80 80 VAL H H 1 9.070 0.000 . . . . . . 80 VAL H . 6732 3 157 . 1 1 80 80 VAL N N 15 117.574 0.000 . . . . . . 80 VAL N . 6732 3 158 . 1 1 81 81 ASP H H 1 7.772 0.000 . . . . . . 81 ASP H . 6732 3 159 . 1 1 81 81 ASP N N 15 118.287 0.000 . . . . . . 81 ASP N . 6732 3 160 . 1 1 82 82 GLY H H 1 8.794 0.000 . . . . . . 82 GLY H . 6732 3 161 . 1 1 82 82 GLY N N 15 109.782 0.000 . . . . . . 82 GLY N . 6732 3 162 . 1 1 83 83 SER H H 1 8.528 0.000 . . . . . . 83 SER H . 6732 3 163 . 1 1 83 83 SER N N 15 117.774 0.000 . . . . . . 83 SER N . 6732 3 164 . 1 1 84 84 HIS H H 1 8.482 0.000 . . . . . . 84 HIS H . 6732 3 165 . 1 1 84 84 HIS N N 15 118.240 0.000 . . . . . . 84 HIS N . 6732 3 166 . 1 1 85 85 VAL H H 1 9.123 0.000 . . . . . . 85 VAL H . 6732 3 167 . 1 1 85 85 VAL N N 15 121.360 0.000 . . . . . . 85 VAL N . 6732 3 168 . 1 1 86 86 ASP H H 1 9.074 0.000 . . . . . . 86 ASP H . 6732 3 169 . 1 1 86 86 ASP N N 15 128.878 0.000 . . . . . . 86 ASP N . 6732 3 170 . 1 1 87 87 TYR H H 1 9.915 0.000 . . . . . . 87 TYR H . 6732 3 171 . 1 1 87 87 TYR N N 15 125.298 0.000 . . . . . . 87 TYR N . 6732 3 172 . 1 1 88 88 SER H H 1 7.184 0.000 . . . . . . 88 SER H . 6732 3 173 . 1 1 88 88 SER N N 15 118.787 0.000 . . . . . . 88 SER N . 6732 3 174 . 1 1 89 89 ASN H H 1 2.639 0.000 . . . . . . 89 ASN H . 6732 3 175 . 1 1 89 89 ASN HD21 H 1 7.083 0.000 . . . . . . 89 ASN HD21 . 6732 3 176 . 1 1 89 89 ASN HD22 H 1 6.089 0.000 . . . . . . 89 ASN HD22 . 6732 3 177 . 1 1 89 89 ASN N N 15 115.215 0.000 . . . . . . 89 ASN N . 6732 3 178 . 1 1 89 89 ASN ND2 N 15 111.817 0.321 . . . . . . 89 ASN ND2 . 6732 3 179 . 1 1 90 90 TRP H H 1 7.439 0.000 . . . . . . 90 TRP H . 6732 3 180 . 1 1 90 90 TRP HE1 H 1 10.227 0.000 . . . . . . 90 TRP HE1 . 6732 3 181 . 1 1 90 90 TRP N N 15 120.403 0.000 . . . . . . 90 TRP N . 6732 3 182 . 1 1 90 90 TRP NE1 N 15 127.962 0.000 . . . . . . 90 TRP NE1 . 6732 3 183 . 1 1 91 91 ALA H H 1 9.410 0.000 . . . . . . 91 ALA H . 6732 3 184 . 1 1 91 91 ALA N N 15 126.211 0.000 . . . . . . 91 ALA N . 6732 3 185 . 1 1 94 94 GLU H H 1 7.949 0.000 . . . . . . 94 GLU H . 6732 3 186 . 1 1 94 94 GLU N N 15 119.269 0.000 . . . . . . 94 GLU N . 6732 3 187 . 1 1 96 96 THR H H 1 7.707 0.000 . . . . . . 96 THR H . 6732 3 188 . 1 1 96 96 THR N N 15 119.773 0.000 . . . . . . 96 THR N . 6732 3 189 . 1 1 104 104 CYS H H 1 8.455 0.000 . . . . . . 104 CYS H . 6732 3 190 . 1 1 104 104 CYS N N 15 118.234 0.000 . . . . . . 104 CYS N . 6732 3 191 . 1 1 105 105 VAL H H 1 7.469 0.000 . . . . . . 105 VAL H . 6732 3 192 . 1 1 105 105 VAL N N 15 119.863 0.000 . . . . . . 105 VAL N . 6732 3 193 . 1 1 106 106 MET H H 1 8.793 0.000 . . . . . . 106 MET H . 6732 3 194 . 1 1 106 106 MET N N 15 120.888 0.000 . . . . . . 106 MET N . 6732 3 195 . 1 1 107 107 MET H H 1 9.441 0.000 . . . . . . 107 MET H . 6732 3 196 . 1 1 107 107 MET N N 15 119.622 0.000 . . . . . . 107 MET N . 6732 3 197 . 1 1 108 108 ARG H H 1 9.082 0.000 . . . . . . 108 ARG H . 6732 3 198 . 1 1 108 108 ARG N N 15 125.599 0.000 . . . . . . 108 ARG N . 6732 3 199 . 1 1 111 111 GLY H H 1 8.297 0.000 . . . . . . 111 GLY H . 6732 3 200 . 1 1 111 111 GLY N N 15 112.054 0.000 . . . . . . 111 GLY N . 6732 3 201 . 1 1 112 112 ARG H H 1 7.272 0.000 . . . . . . 112 ARG H . 6732 3 202 . 1 1 112 112 ARG N N 15 116.211 0.000 . . . . . . 112 ARG N . 6732 3 203 . 1 1 113 113 TRP H H 1 8.408 0.000 . . . . . . 113 TRP H . 6732 3 204 . 1 1 113 113 TRP HE1 H 1 10.941 0.000 . . . . . . 113 TRP HE1 . 6732 3 205 . 1 1 113 113 TRP N N 15 120.212 0.000 . . . . . . 113 TRP N . 6732 3 206 . 1 1 113 113 TRP NE1 N 15 130.039 0.000 . . . . . . 113 TRP NE1 . 6732 3 207 . 1 1 114 114 ASN H H 1 9.219 0.000 . . . . . . 114 ASN H . 6732 3 208 . 1 1 114 114 ASN HD21 H 1 7.358 0.000 . . . . . . 114 ASN HD21 . 6732 3 209 . 1 1 114 114 ASN HD22 H 1 6.625 0.000 . . . . . . 114 ASN HD22 . 6732 3 210 . 1 1 114 114 ASN N N 15 116.502 0.000 . . . . . . 114 ASN N . 6732 3 211 . 1 1 114 114 ASN ND2 N 15 109.985 0.001 . . . . . . 114 ASN ND2 . 6732 3 212 . 1 1 115 115 ASP H H 1 9.245 0.000 . . . . . . 115 ASP H . 6732 3 213 . 1 1 115 115 ASP N N 15 122.884 0.000 . . . . . . 115 ASP N . 6732 3 214 . 1 1 116 116 ALA H H 1 9.501 0.000 . . . . . . 116 ALA H . 6732 3 215 . 1 1 116 116 ALA N N 15 126.947 0.000 . . . . . . 116 ALA N . 6732 3 216 . 1 1 117 117 PHE H H 1 8.459 0.000 . . . . . . 117 PHE H . 6732 3 217 . 1 1 117 117 PHE N N 15 119.373 0.000 . . . . . . 117 PHE N . 6732 3 218 . 1 1 118 118 CYS H H 1 9.015 0.000 . . . . . . 118 CYS H . 6732 3 219 . 1 1 118 118 CYS N N 15 120.495 0.000 . . . . . . 118 CYS N . 6732 3 220 . 1 1 119 119 ASP H H 1 8.536 0.000 . . . . . . 119 ASP H . 6732 3 221 . 1 1 119 119 ASP N N 15 117.035 0.000 . . . . . . 119 ASP N . 6732 3 222 . 1 1 120 120 ARG H H 1 7.922 0.000 . . . . . . 120 ARG H . 6732 3 223 . 1 1 120 120 ARG N N 15 122.551 0.000 . . . . . . 120 ARG N . 6732 3 224 . 1 1 121 121 LYS H H 1 8.470 0.000 . . . . . . 121 LYS H . 6732 3 225 . 1 1 121 121 LYS N N 15 122.052 0.000 . . . . . . 121 LYS N . 6732 3 226 . 1 1 122 122 LEU H H 1 8.044 0.000 . . . . . . 122 LEU H . 6732 3 227 . 1 1 122 122 LEU N N 15 124.253 0.000 . . . . . . 122 LEU N . 6732 3 228 . 1 1 124 124 ALA H H 1 7.455 0.000 . . . . . . 124 ALA H . 6732 3 229 . 1 1 124 124 ALA N N 15 119.044 0.000 . . . . . . 124 ALA N . 6732 3 230 . 1 1 125 125 TRP H H 1 7.659 0.000 . . . . . . 125 TRP H . 6732 3 231 . 1 1 125 125 TRP HE1 H 1 10.372 0.000 . . . . . . 125 TRP HE1 . 6732 3 232 . 1 1 125 125 TRP N N 15 116.233 0.000 . . . . . . 125 TRP N . 6732 3 233 . 1 1 125 125 TRP NE1 N 15 131.937 0.000 . . . . . . 125 TRP NE1 . 6732 3 234 . 1 1 126 126 VAL H H 1 7.300 0.000 . . . . . . 126 VAL H . 6732 3 235 . 1 1 126 126 VAL N N 15 118.165 0.000 . . . . . . 126 VAL N . 6732 3 236 . 1 1 127 127 CYS H H 1 9.245 0.000 . . . . . . 127 CYS H . 6732 3 237 . 1 1 127 127 CYS N N 15 122.884 0.000 . . . . . . 127 CYS N . 6732 3 238 . 1 1 128 128 ASP H H 1 10.276 0.000 . . . . . . 128 ASP H . 6732 3 239 . 1 1 128 128 ASP N N 15 120.346 0.000 . . . . . . 128 ASP N . 6732 3 240 . 1 1 129 129 ARG H H 1 8.002 0.000 . . . . . . 129 ARG H . 6732 3 241 . 1 1 129 129 ARG N N 15 110.658 0.000 . . . . . . 129 ARG N . 6732 3 242 . 1 1 130 130 LEU H H 1 8.578 0.000 . . . . . . 130 LEU H . 6732 3 243 . 1 1 130 130 LEU N N 15 121.367 0.000 . . . . . . 130 LEU N . 6732 3 244 . 1 1 131 131 ALA H H 1 8.261 0.000 . . . . . . 131 ALA H . 6732 3 245 . 1 1 131 131 ALA N N 15 124.728 0.000 . . . . . . 131 ALA N . 6732 3 246 . 1 1 132 132 THR H H 1 8.703 0.000 . . . . . . 132 THR H . 6732 3 247 . 1 1 132 132 THR N N 15 114.577 0.000 . . . . . . 132 THR N . 6732 3 248 . 1 1 133 133 CYS H H 1 9.220 0.000 . . . . . . 133 CYS H . 6732 3 249 . 1 1 133 133 CYS N N 15 125.256 0.000 . . . . . . 133 CYS N . 6732 3 250 . 1 1 143 143 GLU H H 1 7.910 0.000 . . . . . . 143 GLU H . 6732 3 251 . 1 1 143 143 GLU N N 15 125.140 0.000 . . . . . . 143 GLU N . 6732 3 stop_ save_ save_without_Calcium _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode without_Calcium _Assigned_chem_shift_list.Entry_ID 6732 _Assigned_chem_shift_list.ID 4 _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 '1H15N chemical shifts of start point of calcium titration' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6732 4 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 4 4 VAL H H 1 8.355 0.000 . . . . . . 4 VAL H . 6732 4 2 . 1 1 4 4 VAL N N 15 122.244 0.000 . . . . . . 4 VAL N . 6732 4 3 . 1 1 6 6 ASN H H 1 8.577 0.000 . . . . . . 6 ASN H . 6732 4 4 . 1 1 6 6 ASN N N 15 124.070 0.000 . . . . . . 6 ASN N . 6732 4 5 . 1 1 7 7 THR H H 1 8.045 0.000 . . . . . . 7 THR H . 6732 4 6 . 1 1 7 7 THR N N 15 116.786 0.000 . . . . . . 7 THR N . 6732 4 7 . 1 1 8 8 CYS H H 1 9.311 0.000 . . . . . . 8 CYS H . 6732 4 8 . 1 1 8 8 CYS N N 15 126.732 0.000 . . . . . . 8 CYS N . 6732 4 9 . 1 1 10 10 GLU H H 1 8.538 0.000 . . . . . . 10 GLU H . 6732 4 10 . 1 1 10 10 GLU N N 15 121.752 0.000 . . . . . . 10 GLU N . 6732 4 11 . 1 1 11 11 LYS H H 1 8.788 0.000 . . . . . . 11 LYS H . 6732 4 12 . 1 1 11 11 LYS N N 15 115.220 0.000 . . . . . . 11 LYS N . 6732 4 13 . 1 1 12 12 TRP H H 1 8.520 0.000 . . . . . . 12 TRP H . 6732 4 14 . 1 1 12 12 TRP HE1 H 1 10.448 0.000 . . . . . . 12 TRP HE1 . 6732 4 15 . 1 1 12 12 TRP N N 15 119.799 0.000 . . . . . . 12 TRP N . 6732 4 16 . 1 1 12 12 TRP NE1 N 15 132.410 0.000 . . . . . . 12 TRP NE1 . 6732 4 17 . 1 1 13 13 ILE H H 1 9.835 0.000 . . . . . . 13 ILE H . 6732 4 18 . 1 1 13 13 ILE N N 15 120.590 0.000 . . . . . . 13 ILE N . 6732 4 19 . 1 1 14 14 ASN H H 1 9.121 0.000 . . . . . . 14 ASN H . 6732 4 20 . 1 1 14 14 ASN HD21 H 1 7.207 0.000 . . . . . . 14 ASN HD21 . 6732 4 21 . 1 1 14 14 ASN HD22 H 1 6.405 0.000 . . . . . . 14 ASN HD22 . 6732 4 22 . 1 1 14 14 ASN N N 15 125.775 0.000 . . . . . . 14 ASN N . 6732 4 23 . 1 1 14 14 ASN ND2 N 15 109.264 0.019 . . . . . . 14 ASN ND2 . 6732 4 24 . 1 1 15 15 PHE H H 1 8.374 0.000 . . . . . . 15 PHE H . 6732 4 25 . 1 1 15 15 PHE N N 15 124.436 0.000 . . . . . . 15 PHE N . 6732 4 26 . 1 1 16 16 GLN H H 1 8.611 0.000 . . . . . . 16 GLN H . 6732 4 27 . 1 1 16 16 GLN HE21 H 1 7.008 0.000 . . . . . . 16 GLN HE21 . 6732 4 28 . 1 1 16 16 GLN HE22 H 1 6.859 0.000 . . . . . . 16 GLN HE22 . 6732 4 29 . 1 1 16 16 GLN N N 15 125.350 0.000 . . . . . . 16 GLN N . 6732 4 30 . 1 1 16 16 GLN NE2 N 15 110.384 0.001 . . . . . . 16 GLN NE2 . 6732 4 31 . 1 1 18 18 LYS H H 1 8.069 0.000 . . . . . . 18 LYS H . 6732 4 32 . 1 1 18 18 LYS N N 15 119.124 0.000 . . . . . . 18 LYS N . 6732 4 33 . 1 1 19 19 CYS H H 1 8.936 0.000 . . . . . . 19 CYS H . 6732 4 34 . 1 1 19 19 CYS N N 15 119.098 0.000 . . . . . . 19 CYS N . 6732 4 35 . 1 1 20 20 TYR H H 1 9.744 0.000 . . . . . . 20 TYR H . 6732 4 36 . 1 1 20 20 TYR N N 15 120.271 0.000 . . . . . . 20 TYR N . 6732 4 37 . 1 1 21 21 TYR H H 1 8.450 0.000 . . . . . . 21 TYR H . 6732 4 38 . 1 1 21 21 TYR N N 15 122.969 0.000 . . . . . . 21 TYR N . 6732 4 39 . 1 1 22 22 PHE H H 1 7.609 0.000 . . . . . . 22 PHE H . 6732 4 40 . 1 1 22 22 PHE N N 15 127.626 0.000 . . . . . . 22 PHE N . 6732 4 41 . 1 1 23 23 GLY H H 1 7.779 0.000 . . . . . . 23 GLY H . 6732 4 42 . 1 1 23 23 GLY N N 15 112.484 0.000 . . . . . . 23 GLY N . 6732 4 43 . 1 1 24 24 LYS H H 1 7.635 0.000 . . . . . . 24 LYS H . 6732 4 44 . 1 1 24 24 LYS N N 15 121.175 0.000 . . . . . . 24 LYS N . 6732 4 45 . 1 1 25 25 GLY H H 1 8.049 0.000 . . . . . . 25 GLY H . 6732 4 46 . 1 1 25 25 GLY N N 15 114.197 0.000 . . . . . . 25 GLY N . 6732 4 47 . 1 1 28 28 GLN H H 1 7.421 0.000 . . . . . . 28 GLN H . 6732 4 48 . 1 1 28 28 GLN N N 15 122.936 0.000 . . . . . . 28 GLN N . 6732 4 49 . 1 1 29 29 TRP H H 1 7.531 0.000 . . . . . . 29 TRP H . 6732 4 50 . 1 1 29 29 TRP HE1 H 1 10.376 0.000 . . . . . . 29 TRP HE1 . 6732 4 51 . 1 1 29 29 TRP N N 15 123.041 0.000 . . . . . . 29 TRP N . 6732 4 52 . 1 1 29 29 TRP NE1 N 15 128.869 0.000 . . . . . . 29 TRP NE1 . 6732 4 53 . 1 1 30 30 VAL H H 1 9.258 0.000 . . . . . . 30 VAL H . 6732 4 54 . 1 1 30 30 VAL N N 15 115.095 0.000 . . . . . . 30 VAL N . 6732 4 55 . 1 1 31 31 HIS H H 1 6.344 0.000 . . . . . . 31 HIS H . 6732 4 56 . 1 1 31 31 HIS N N 15 118.048 0.000 . . . . . . 31 HIS N . 6732 4 57 . 1 1 32 32 ALA H H 1 7.951 0.000 . . . . . . 32 ALA H . 6732 4 58 . 1 1 32 32 ALA N N 15 126.557 0.000 . . . . . . 32 ALA N . 6732 4 59 . 1 1 33 33 ARG H H 1 7.745 0.000 . . . . . . 33 ARG H . 6732 4 60 . 1 1 33 33 ARG N N 15 119.885 0.000 . . . . . . 33 ARG N . 6732 4 61 . 1 1 34 34 TYR H H 1 7.880 0.000 . . . . . . 34 TYR H . 6732 4 62 . 1 1 34 34 TYR N N 15 118.548 0.000 . . . . . . 34 TYR N . 6732 4 63 . 1 1 35 35 ALA H H 1 7.802 0.000 . . . . . . 35 ALA H . 6732 4 64 . 1 1 35 35 ALA N N 15 122.792 0.000 . . . . . . 35 ALA N . 6732 4 65 . 1 1 36 36 CYS H H 1 7.817 0.000 . . . . . . 36 CYS H . 6732 4 66 . 1 1 36 36 CYS N N 15 113.754 0.000 . . . . . . 36 CYS N . 6732 4 67 . 1 1 37 37 ASP H H 1 7.970 0.000 . . . . . . 37 ASP H . 6732 4 68 . 1 1 37 37 ASP N N 15 123.900 0.000 . . . . . . 37 ASP N . 6732 4 69 . 1 1 38 38 ASP H H 1 8.509 0.000 . . . . . . 38 ASP H . 6732 4 70 . 1 1 38 38 ASP N N 15 120.426 0.000 . . . . . . 38 ASP N . 6732 4 71 . 1 1 39 39 MET H H 1 7.420 0.000 . . . . . . 39 MET H . 6732 4 72 . 1 1 39 39 MET N N 15 116.830 0.000 . . . . . . 39 MET N . 6732 4 73 . 1 1 40 40 GLU H H 1 8.065 0.000 . . . . . . 40 GLU H . 6732 4 74 . 1 1 40 40 GLU N N 15 113.028 0.000 . . . . . . 40 GLU N . 6732 4 75 . 1 1 41 41 GLY H H 1 8.051 0.000 . . . . . . 41 GLY H . 6732 4 76 . 1 1 41 41 GLY N N 15 105.931 0.000 . . . . . . 41 GLY N . 6732 4 77 . 1 1 42 42 GLN H H 1 9.001 0.000 . . . . . . 42 GLN H . 6732 4 78 . 1 1 42 42 GLN HE21 H 1 7.874 0.000 . . . . . . 42 GLN HE21 . 6732 4 79 . 1 1 42 42 GLN HE22 H 1 6.651 0.000 . . . . . . 42 GLN HE22 . 6732 4 80 . 1 1 42 42 GLN N N 15 116.348 0.000 . . . . . . 42 GLN N . 6732 4 81 . 1 1 42 42 GLN NE2 N 15 112.121 0.003 . . . . . . 42 GLN NE2 . 6732 4 82 . 1 1 43 43 LEU H H 1 8.530 0.000 . . . . . . 43 LEU H . 6732 4 83 . 1 1 43 43 LEU N N 15 125.404 0.000 . . . . . . 43 LEU N . 6732 4 84 . 1 1 44 44 VAL H H 1 8.216 0.000 . . . . . . 44 VAL H . 6732 4 85 . 1 1 44 44 VAL N N 15 120.889 0.000 . . . . . . 44 VAL N . 6732 4 86 . 1 1 45 45 SER H H 1 8.059 0.000 . . . . . . 45 SER H . 6732 4 87 . 1 1 45 45 SER N N 15 120.894 0.000 . . . . . . 45 SER N . 6732 4 88 . 1 1 46 46 ILE H H 1 3.472 0.000 . . . . . . 46 ILE H . 6732 4 89 . 1 1 46 46 ILE N N 15 117.764 0.000 . . . . . . 46 ILE N . 6732 4 90 . 1 1 47 47 HIS H H 1 8.783 0.000 . . . . . . 47 HIS H . 6732 4 91 . 1 1 47 47 HIS N N 15 120.776 0.000 . . . . . . 47 HIS N . 6732 4 92 . 1 1 48 48 SER H H 1 7.156 0.000 . . . . . . 48 SER H . 6732 4 93 . 1 1 48 48 SER N N 15 111.823 0.000 . . . . . . 48 SER N . 6732 4 94 . 1 1 50 50 GLU H H 1 8.894 0.000 . . . . . . 50 GLU H . 6732 4 95 . 1 1 50 50 GLU N N 15 119.140 0.000 . . . . . . 50 GLU N . 6732 4 96 . 1 1 51 51 GLU H H 1 7.835 0.000 . . . . . . 51 GLU H . 6732 4 97 . 1 1 51 51 GLU N N 15 121.658 0.000 . . . . . . 51 GLU N . 6732 4 98 . 1 1 52 52 GLN H H 1 7.726 0.000 . . . . . . 52 GLN H . 6732 4 99 . 1 1 52 52 GLN HE21 H 1 7.126 0.000 . . . . . . 52 GLN HE21 . 6732 4 100 . 1 1 52 52 GLN HE22 H 1 6.461 0.000 . . . . . . 52 GLN HE22 . 6732 4 101 . 1 1 52 52 GLN N N 15 118.073 0.000 . . . . . . 52 GLN N . 6732 4 102 . 1 1 52 52 GLN NE2 N 15 115.459 0.038 . . . . . . 52 GLN NE2 . 6732 4 103 . 1 1 53 53 ASP H H 1 8.582 0.000 . . . . . . 53 ASP H . 6732 4 104 . 1 1 53 53 ASP N N 15 120.135 0.000 . . . . . . 53 ASP N . 6732 4 105 . 1 1 54 54 PHE H H 1 7.330 0.000 . . . . . . 54 PHE H . 6732 4 106 . 1 1 54 54 PHE N N 15 120.006 0.000 . . . . . . 54 PHE N . 6732 4 107 . 1 1 55 55 LEU H H 1 8.014 0.000 . . . . . . 55 LEU H . 6732 4 108 . 1 1 55 55 LEU N N 15 119.639 0.000 . . . . . . 55 LEU N . 6732 4 109 . 1 1 56 56 THR H H 1 9.001 0.000 . . . . . . 56 THR H . 6732 4 110 . 1 1 56 56 THR N N 15 116.348 0.000 . . . . . . 56 THR N . 6732 4 111 . 1 1 57 57 LYS H H 1 7.263 0.000 . . . . . . 57 LYS H . 6732 4 112 . 1 1 57 57 LYS N N 15 118.183 0.000 . . . . . . 57 LYS N . 6732 4 113 . 1 1 58 58 HIS H H 1 6.920 0.000 . . . . . . 58 HIS H . 6732 4 114 . 1 1 58 58 HIS N N 15 114.530 0.000 . . . . . . 58 HIS N . 6732 4 115 . 1 1 59 59 ALA H H 1 7.317 0.000 . . . . . . 59 ALA H . 6732 4 116 . 1 1 59 59 ALA N N 15 123.059 0.000 . . . . . . 59 ALA N . 6732 4 117 . 1 1 60 60 SER H H 1 8.504 0.000 . . . . . . 60 SER H . 6732 4 118 . 1 1 60 60 SER N N 15 114.165 0.000 . . . . . . 60 SER N . 6732 4 119 . 1 1 63 63 GLY H H 1 7.025 0.000 . . . . . . 63 GLY H . 6732 4 120 . 1 1 63 63 GLY N N 15 109.307 0.000 . . . . . . 63 GLY N . 6732 4 121 . 1 1 64 64 SER H H 1 8.579 0.000 . . . . . . 64 SER H . 6732 4 122 . 1 1 64 64 SER N N 15 114.434 0.000 . . . . . . 64 SER N . 6732 4 123 . 1 1 65 65 TRP H H 1 8.374 0.000 . . . . . . 65 TRP H . 6732 4 124 . 1 1 65 65 TRP HE1 H 1 10.302 0.000 . . . . . . 65 TRP HE1 . 6732 4 125 . 1 1 65 65 TRP N N 15 124.436 0.000 . . . . . . 65 TRP N . 6732 4 126 . 1 1 65 65 TRP NE1 N 15 129.307 0.000 . . . . . . 65 TRP NE1 . 6732 4 127 . 1 1 66 66 ILE H H 1 8.043 0.000 . . . . . . 66 ILE H . 6732 4 128 . 1 1 66 66 ILE N N 15 110.099 0.000 . . . . . . 66 ILE N . 6732 4 129 . 1 1 67 67 GLY H H 1 9.478 0.000 . . . . . . 67 GLY H . 6732 4 130 . 1 1 67 67 GLY N N 15 109.847 0.000 . . . . . . 67 GLY N . 6732 4 131 . 1 1 68 68 LEU H H 1 7.357 0.000 . . . . . . 68 LEU H . 6732 4 132 . 1 1 68 68 LEU N N 15 125.639 0.000 . . . . . . 68 LEU N . 6732 4 133 . 1 1 69 69 ARG H H 1 7.573 0.000 . . . . . . 69 ARG H . 6732 4 134 . 1 1 69 69 ARG N N 15 120.069 0.000 . . . . . . 69 ARG N . 6732 4 135 . 1 1 70 70 ASN H H 1 8.630 0.000 . . . . . . 70 ASN H . 6732 4 136 . 1 1 70 70 ASN HD21 H 1 6.744 0.000 . . . . . . 70 ASN HD21 . 6732 4 137 . 1 1 70 70 ASN HD22 H 1 6.352 0.000 . . . . . . 70 ASN HD22 . 6732 4 138 . 1 1 70 70 ASN N N 15 121.490 0.000 . . . . . . 70 ASN N . 6732 4 139 . 1 1 70 70 ASN ND2 N 15 108.785 0.120 . . . . . . 70 ASN ND2 . 6732 4 140 . 1 1 71 71 LEU H H 1 7.879 0.000 . . . . . . 71 LEU H . 6732 4 141 . 1 1 71 71 LEU N N 15 126.806 0.000 . . . . . . 71 LEU N . 6732 4 142 . 1 1 74 74 LYS H H 1 7.933 0.000 . . . . . . 74 LYS H . 6732 4 143 . 1 1 74 74 LYS N N 15 117.582 0.000 . . . . . . 74 LYS N . 6732 4 144 . 1 1 75 75 GLY H H 1 8.472 0.000 . . . . . . 75 GLY H . 6732 4 145 . 1 1 75 75 GLY N N 15 108.631 0.000 . . . . . . 75 GLY N . 6732 4 146 . 1 1 76 76 GLU H H 1 7.593 0.000 . . . . . . 76 GLU H . 6732 4 147 . 1 1 76 76 GLU N N 15 119.435 0.000 . . . . . . 76 GLU N . 6732 4 148 . 1 1 77 77 PHE H H 1 8.704 0.000 . . . . . . 77 PHE H . 6732 4 149 . 1 1 77 77 PHE N N 15 123.659 0.000 . . . . . . 77 PHE N . 6732 4 150 . 1 1 78 78 ILE H H 1 8.450 0.000 . . . . . . 78 ILE H . 6732 4 151 . 1 1 78 78 ILE N N 15 122.969 0.000 . . . . . . 78 ILE N . 6732 4 152 . 1 1 79 79 TRP H H 1 8.650 0.000 . . . . . . 79 TRP H . 6732 4 153 . 1 1 79 79 TRP HE1 H 1 10.116 0.000 . . . . . . 79 TRP HE1 . 6732 4 154 . 1 1 79 79 TRP N N 15 129.460 0.000 . . . . . . 79 TRP N . 6732 4 155 . 1 1 79 79 TRP NE1 N 15 129.072 0.000 . . . . . . 79 TRP NE1 . 6732 4 156 . 1 1 80 80 VAL H H 1 8.995 0.000 . . . . . . 80 VAL H . 6732 4 157 . 1 1 80 80 VAL N N 15 118.192 0.000 . . . . . . 80 VAL N . 6732 4 158 . 1 1 81 81 ASP H H 1 7.786 0.000 . . . . . . 81 ASP H . 6732 4 159 . 1 1 81 81 ASP N N 15 118.180 0.000 . . . . . . 81 ASP N . 6732 4 160 . 1 1 82 82 GLY H H 1 8.741 0.000 . . . . . . 82 GLY H . 6732 4 161 . 1 1 82 82 GLY N N 15 109.771 0.000 . . . . . . 82 GLY N . 6732 4 162 . 1 1 83 83 SER H H 1 8.548 0.000 . . . . . . 83 SER H . 6732 4 163 . 1 1 83 83 SER N N 15 117.793 0.000 . . . . . . 83 SER N . 6732 4 164 . 1 1 84 84 HIS H H 1 8.435 0.000 . . . . . . 84 HIS H . 6732 4 165 . 1 1 84 84 HIS N N 15 119.117 0.000 . . . . . . 84 HIS N . 6732 4 166 . 1 1 85 85 VAL H H 1 9.183 0.000 . . . . . . 85 VAL H . 6732 4 167 . 1 1 85 85 VAL N N 15 121.650 0.000 . . . . . . 85 VAL N . 6732 4 168 . 1 1 86 86 ASP H H 1 9.100 0.000 . . . . . . 86 ASP H . 6732 4 169 . 1 1 86 86 ASP N N 15 128.939 0.000 . . . . . . 86 ASP N . 6732 4 170 . 1 1 87 87 TYR H H 1 10.030 0.000 . . . . . . 87 TYR H . 6732 4 171 . 1 1 87 87 TYR N N 15 125.692 0.000 . . . . . . 87 TYR N . 6732 4 172 . 1 1 88 88 SER H H 1 7.172 0.000 . . . . . . 88 SER H . 6732 4 173 . 1 1 88 88 SER N N 15 118.881 0.000 . . . . . . 88 SER N . 6732 4 174 . 1 1 89 89 ASN H H 1 2.614 0.000 . . . . . . 89 ASN H . 6732 4 175 . 1 1 89 89 ASN HD21 H 1 7.075 0.000 . . . . . . 89 ASN HD21 . 6732 4 176 . 1 1 89 89 ASN HD22 H 1 6.096 0.000 . . . . . . 89 ASN HD22 . 6732 4 177 . 1 1 89 89 ASN N N 15 115.356 0.000 . . . . . . 89 ASN N . 6732 4 178 . 1 1 89 89 ASN ND2 N 15 111.888 0.359 . . . . . . 89 ASN ND2 . 6732 4 179 . 1 1 90 90 TRP H H 1 7.442 0.000 . . . . . . 90 TRP H . 6732 4 180 . 1 1 90 90 TRP HE1 H 1 10.179 0.000 . . . . . . 90 TRP HE1 . 6732 4 181 . 1 1 90 90 TRP N N 15 120.428 0.000 . . . . . . 90 TRP N . 6732 4 182 . 1 1 90 90 TRP NE1 N 15 127.895 0.000 . . . . . . 90 TRP NE1 . 6732 4 183 . 1 1 91 91 ALA H H 1 9.392 0.000 . . . . . . 91 ALA H . 6732 4 184 . 1 1 91 91 ALA N N 15 126.192 0.000 . . . . . . 91 ALA N . 6732 4 185 . 1 1 94 94 GLU H H 1 7.923 0.000 . . . . . . 94 GLU H . 6732 4 186 . 1 1 94 94 GLU N N 15 119.135 0.000 . . . . . . 94 GLU N . 6732 4 187 . 1 1 96 96 THR H H 1 7.769 0.000 . . . . . . 96 THR H . 6732 4 188 . 1 1 96 96 THR N N 15 119.788 0.000 . . . . . . 96 THR N . 6732 4 189 . 1 1 104 104 CYS H H 1 8.435 0.000 . . . . . . 104 CYS H . 6732 4 190 . 1 1 104 104 CYS N N 15 119.118 0.000 . . . . . . 104 CYS N . 6732 4 191 . 1 1 105 105 VAL H H 1 7.481 0.000 . . . . . . 105 VAL H . 6732 4 192 . 1 1 105 105 VAL N N 15 119.970 0.000 . . . . . . 105 VAL N . 6732 4 193 . 1 1 106 106 MET H H 1 8.813 0.000 . . . . . . 106 MET H . 6732 4 194 . 1 1 106 106 MET N N 15 120.797 0.000 . . . . . . 106 MET N . 6732 4 195 . 1 1 107 107 MET H H 1 9.425 0.000 . . . . . . 107 MET H . 6732 4 196 . 1 1 107 107 MET N N 15 119.817 0.000 . . . . . . 107 MET N . 6732 4 197 . 1 1 108 108 ARG H H 1 9.099 0.000 . . . . . . 108 ARG H . 6732 4 198 . 1 1 108 108 ARG N N 15 125.519 0.000 . . . . . . 108 ARG N . 6732 4 199 . 1 1 111 111 GLY H H 1 8.286 0.000 . . . . . . 111 GLY H . 6732 4 200 . 1 1 111 111 GLY N N 15 112.330 0.000 . . . . . . 111 GLY N . 6732 4 201 . 1 1 112 112 ARG H H 1 7.254 0.000 . . . . . . 112 ARG H . 6732 4 202 . 1 1 112 112 ARG N N 15 116.368 0.000 . . . . . . 112 ARG N . 6732 4 203 . 1 1 113 113 TRP H H 1 8.353 0.000 . . . . . . 113 TRP H . 6732 4 204 . 1 1 113 113 TRP HE1 H 1 10.901 0.000 . . . . . . 113 TRP HE1 . 6732 4 205 . 1 1 113 113 TRP N N 15 120.356 0.000 . . . . . . 113 TRP N . 6732 4 206 . 1 1 113 113 TRP NE1 N 15 130.023 0.000 . . . . . . 113 TRP NE1 . 6732 4 207 . 1 1 114 114 ASN H H 1 9.233 0.000 . . . . . . 114 ASN H . 6732 4 208 . 1 1 114 114 ASN HD21 H 1 7.352 0.000 . . . . . . 114 ASN HD21 . 6732 4 209 . 1 1 114 114 ASN HD22 H 1 6.619 0.000 . . . . . . 114 ASN HD22 . 6732 4 210 . 1 1 114 114 ASN N N 15 115.797 0.000 . . . . . . 114 ASN N . 6732 4 211 . 1 1 114 114 ASN ND2 N 15 110.009 0.029 . . . . . . 114 ASN ND2 . 6732 4 212 . 1 1 115 115 ASP H H 1 9.310 0.000 . . . . . . 115 ASP H . 6732 4 213 . 1 1 115 115 ASP N N 15 122.178 0.000 . . . . . . 115 ASP N . 6732 4 214 . 1 1 116 116 ALA H H 1 9.366 0.000 . . . . . . 116 ALA H . 6732 4 215 . 1 1 116 116 ALA N N 15 125.331 0.000 . . . . . . 116 ALA N . 6732 4 216 . 1 1 117 117 PHE H H 1 8.461 0.000 . . . . . . 117 PHE H . 6732 4 217 . 1 1 117 117 PHE N N 15 119.363 0.000 . . . . . . 117 PHE N . 6732 4 218 . 1 1 118 118 CYS H H 1 9.029 0.000 . . . . . . 118 CYS H . 6732 4 219 . 1 1 118 118 CYS N N 15 120.680 0.000 . . . . . . 118 CYS N . 6732 4 220 . 1 1 119 119 ASP H H 1 8.397 0.000 . . . . . . 119 ASP H . 6732 4 221 . 1 1 119 119 ASP N N 15 117.221 0.000 . . . . . . 119 ASP N . 6732 4 222 . 1 1 120 120 ARG H H 1 7.942 0.000 . . . . . . 120 ARG H . 6732 4 223 . 1 1 120 120 ARG N N 15 122.841 0.000 . . . . . . 120 ARG N . 6732 4 224 . 1 1 121 121 LYS H H 1 8.471 0.000 . . . . . . 121 LYS H . 6732 4 225 . 1 1 121 121 LYS N N 15 122.214 0.000 . . . . . . 121 LYS N . 6732 4 226 . 1 1 122 122 LEU H H 1 8.033 0.000 . . . . . . 122 LEU H . 6732 4 227 . 1 1 122 122 LEU N N 15 124.925 0.000 . . . . . . 122 LEU N . 6732 4 228 . 1 1 124 124 ALA H H 1 7.444 0.000 . . . . . . 124 ALA H . 6732 4 229 . 1 1 124 124 ALA N N 15 119.125 0.000 . . . . . . 124 ALA N . 6732 4 230 . 1 1 125 125 TRP H H 1 7.632 0.000 . . . . . . 125 TRP H . 6732 4 231 . 1 1 125 125 TRP HE1 H 1 10.385 0.000 . . . . . . 125 TRP HE1 . 6732 4 232 . 1 1 125 125 TRP N N 15 116.195 0.000 . . . . . . 125 TRP N . 6732 4 233 . 1 1 125 125 TRP NE1 N 15 132.147 0.000 . . . . . . 125 TRP NE1 . 6732 4 234 . 1 1 126 126 VAL H H 1 7.289 0.000 . . . . . . 126 VAL H . 6732 4 235 . 1 1 126 126 VAL N N 15 118.196 0.000 . . . . . . 126 VAL N . 6732 4 236 . 1 1 127 127 CYS H H 1 9.200 0.000 . . . . . . 127 CYS H . 6732 4 237 . 1 1 127 127 CYS N N 15 123.158 0.000 . . . . . . 127 CYS N . 6732 4 238 . 1 1 128 128 ASP H H 1 10.282 0.000 . . . . . . 128 ASP H . 6732 4 239 . 1 1 128 128 ASP N N 15 120.422 0.000 . . . . . . 128 ASP N . 6732 4 240 . 1 1 129 129 ARG H H 1 7.992 0.000 . . . . . . 129 ARG H . 6732 4 241 . 1 1 129 129 ARG N N 15 110.755 0.000 . . . . . . 129 ARG N . 6732 4 242 . 1 1 130 130 LEU H H 1 8.589 0.000 . . . . . . 130 LEU H . 6732 4 243 . 1 1 130 130 LEU N N 15 121.400 0.000 . . . . . . 130 LEU N . 6732 4 244 . 1 1 131 131 ALA H H 1 8.253 0.000 . . . . . . 131 ALA H . 6732 4 245 . 1 1 131 131 ALA N N 15 124.772 0.000 . . . . . . 131 ALA N . 6732 4 246 . 1 1 132 132 THR H H 1 8.710 0.000 . . . . . . 132 THR H . 6732 4 247 . 1 1 132 132 THR N N 15 114.652 0.000 . . . . . . 132 THR N . 6732 4 248 . 1 1 133 133 CYS H H 1 9.212 0.000 . . . . . . 133 CYS H . 6732 4 249 . 1 1 133 133 CYS N N 15 125.335 0.000 . . . . . . 133 CYS N . 6732 4 250 . 1 1 143 143 GLU H H 1 7.911 0.000 . . . . . . 143 GLU H . 6732 4 251 . 1 1 143 143 GLU N N 15 125.208 0.000 . . . . . . 143 GLU N . 6732 4 stop_ save_ save_without_CD21 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode without_CD21 _Assigned_chem_shift_list.Entry_ID 6732 _Assigned_chem_shift_list.ID 5 _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 '1H15N chemical shifts of start point of CD21 titration' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6732 5 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 4 4 VAL H H 1 8.343 0.000 . . . . . . 4 VAL H . 6732 5 2 . 1 1 4 4 VAL N N 15 122.080 0.000 . . . . . . 4 VAL N . 6732 5 3 . 1 1 5 5 CYS H H 1 7.993 0.000 . . . . . . 5 CYS H . 6732 5 4 . 1 1 5 5 CYS N N 15 129.515 0.000 . . . . . . 5 CYS N . 6732 5 5 . 1 1 6 6 ASN H H 1 8.596 0.000 . . . . . . 6 ASN H . 6732 5 6 . 1 1 6 6 ASN N N 15 124.103 0.000 . . . . . . 6 ASN N . 6732 5 7 . 1 1 7 7 THR H H 1 8.056 0.000 . . . . . . 7 THR H . 6732 5 8 . 1 1 7 7 THR N N 15 116.753 0.000 . . . . . . 7 THR N . 6732 5 9 . 1 1 8 8 CYS H H 1 9.321 0.000 . . . . . . 8 CYS H . 6732 5 10 . 1 1 8 8 CYS N N 15 126.730 0.000 . . . . . . 8 CYS N . 6732 5 11 . 1 1 10 10 GLU H H 1 8.546 0.000 . . . . . . 10 GLU H . 6732 5 12 . 1 1 10 10 GLU N N 15 121.647 0.000 . . . . . . 10 GLU N . 6732 5 13 . 1 1 11 11 LYS H H 1 8.785 0.000 . . . . . . 11 LYS H . 6732 5 14 . 1 1 11 11 LYS N N 15 115.241 0.000 . . . . . . 11 LYS N . 6732 5 15 . 1 1 12 12 TRP H H 1 8.501 0.000 . . . . . . 12 TRP H . 6732 5 16 . 1 1 12 12 TRP HE1 H 1 10.450 0.000 . . . . . . 12 TRP HE1 . 6732 5 17 . 1 1 12 12 TRP N N 15 120.208 0.000 . . . . . . 12 TRP N . 6732 5 18 . 1 1 12 12 TRP NE1 N 15 132.347 0.000 . . . . . . 12 TRP NE1 . 6732 5 19 . 1 1 13 13 ILE H H 1 9.843 0.000 . . . . . . 13 ILE H . 6732 5 20 . 1 1 13 13 ILE N N 15 120.673 0.000 . . . . . . 13 ILE N . 6732 5 21 . 1 1 14 14 ASN H H 1 9.100 0.000 . . . . . . 14 ASN H . 6732 5 22 . 1 1 14 14 ASN HD21 H 1 7.204 0.000 . . . . . . 14 ASN HD21 . 6732 5 23 . 1 1 14 14 ASN HD22 H 1 6.418 0.000 . . . . . . 14 ASN HD22 . 6732 5 24 . 1 1 14 14 ASN N N 15 125.261 0.000 . . . . . . 14 ASN N . 6732 5 25 . 1 1 14 14 ASN ND2 N 15 109.320 0.001 . . . . . . 14 ASN ND2 . 6732 5 26 . 1 1 15 15 PHE H H 1 8.354 0.000 . . . . . . 15 PHE H . 6732 5 27 . 1 1 15 15 PHE N N 15 124.426 0.000 . . . . . . 15 PHE N . 6732 5 28 . 1 1 18 18 LYS H H 1 8.069 0.000 . . . . . . 18 LYS H . 6732 5 29 . 1 1 18 18 LYS N N 15 119.061 0.000 . . . . . . 18 LYS N . 6732 5 30 . 1 1 19 19 CYS H H 1 8.967 0.000 . . . . . . 19 CYS H . 6732 5 31 . 1 1 19 19 CYS N N 15 119.118 0.000 . . . . . . 19 CYS N . 6732 5 32 . 1 1 20 20 TYR H H 1 9.763 0.000 . . . . . . 20 TYR H . 6732 5 33 . 1 1 20 20 TYR N N 15 120.307 0.000 . . . . . . 20 TYR N . 6732 5 34 . 1 1 21 21 TYR H H 1 8.445 0.000 . . . . . . 21 TYR H . 6732 5 35 . 1 1 21 21 TYR N N 15 123.498 0.000 . . . . . . 21 TYR N . 6732 5 36 . 1 1 22 22 PHE H H 1 7.607 0.000 . . . . . . 22 PHE H . 6732 5 37 . 1 1 22 22 PHE N N 15 127.684 0.000 . . . . . . 22 PHE N . 6732 5 38 . 1 1 23 23 GLY H H 1 7.773 0.000 . . . . . . 23 GLY H . 6732 5 39 . 1 1 23 23 GLY N N 15 112.414 0.000 . . . . . . 23 GLY N . 6732 5 40 . 1 1 24 24 LYS H H 1 7.627 0.000 . . . . . . 24 LYS H . 6732 5 41 . 1 1 24 24 LYS N N 15 121.064 0.000 . . . . . . 24 LYS N . 6732 5 42 . 1 1 25 25 GLY H H 1 8.050 0.000 . . . . . . 25 GLY H . 6732 5 43 . 1 1 25 25 GLY N N 15 114.181 0.000 . . . . . . 25 GLY N . 6732 5 44 . 1 1 28 28 GLN H H 1 7.381 0.000 . . . . . . 28 GLN H . 6732 5 45 . 1 1 28 28 GLN N N 15 122.887 0.000 . . . . . . 28 GLN N . 6732 5 46 . 1 1 29 29 TRP H H 1 7.490 0.000 . . . . . . 29 TRP H . 6732 5 47 . 1 1 29 29 TRP HE1 H 1 10.430 0.000 . . . . . . 29 TRP HE1 . 6732 5 48 . 1 1 29 29 TRP N N 15 122.935 0.000 . . . . . . 29 TRP N . 6732 5 49 . 1 1 29 29 TRP NE1 N 15 129.035 0.000 . . . . . . 29 TRP NE1 . 6732 5 50 . 1 1 30 30 VAL H H 1 9.254 0.000 . . . . . . 30 VAL H . 6732 5 51 . 1 1 30 30 VAL N N 15 115.095 0.000 . . . . . . 30 VAL N . 6732 5 52 . 1 1 31 31 HIS H H 1 6.349 0.000 . . . . . . 31 HIS H . 6732 5 53 . 1 1 31 31 HIS N N 15 118.096 0.000 . . . . . . 31 HIS N . 6732 5 54 . 1 1 32 32 ALA H H 1 7.940 0.000 . . . . . . 32 ALA H . 6732 5 55 . 1 1 32 32 ALA N N 15 126.340 0.000 . . . . . . 32 ALA N . 6732 5 56 . 1 1 33 33 ARG H H 1 7.739 0.000 . . . . . . 33 ARG H . 6732 5 57 . 1 1 33 33 ARG N N 15 119.942 0.000 . . . . . . 33 ARG N . 6732 5 58 . 1 1 34 34 TYR H H 1 7.853 0.000 . . . . . . 34 TYR H . 6732 5 59 . 1 1 34 34 TYR N N 15 118.427 0.000 . . . . . . 34 TYR N . 6732 5 60 . 1 1 35 35 ALA H H 1 7.812 0.000 . . . . . . 35 ALA H . 6732 5 61 . 1 1 35 35 ALA N N 15 122.792 0.000 . . . . . . 35 ALA N . 6732 5 62 . 1 1 36 36 CYS H H 1 7.808 0.000 . . . . . . 36 CYS H . 6732 5 63 . 1 1 36 36 CYS N N 15 113.704 0.000 . . . . . . 36 CYS N . 6732 5 64 . 1 1 37 37 ASP H H 1 7.960 0.000 . . . . . . 37 ASP H . 6732 5 65 . 1 1 37 37 ASP N N 15 123.898 0.000 . . . . . . 37 ASP N . 6732 5 66 . 1 1 38 38 ASP H H 1 8.536 0.000 . . . . . . 38 ASP H . 6732 5 67 . 1 1 38 38 ASP N N 15 120.560 0.000 . . . . . . 38 ASP N . 6732 5 68 . 1 1 39 39 MET H H 1 7.429 0.000 . . . . . . 39 MET H . 6732 5 69 . 1 1 39 39 MET N N 15 116.775 0.000 . . . . . . 39 MET N . 6732 5 70 . 1 1 40 40 GLU H H 1 8.063 0.000 . . . . . . 40 GLU H . 6732 5 71 . 1 1 40 40 GLU N N 15 113.083 0.000 . . . . . . 40 GLU N . 6732 5 72 . 1 1 41 41 GLY H H 1 8.059 0.000 . . . . . . 41 GLY H . 6732 5 73 . 1 1 41 41 GLY N N 15 105.693 0.000 . . . . . . 41 GLY N . 6732 5 74 . 1 1 42 42 GLN H H 1 9.039 0.000 . . . . . . 42 GLN H . 6732 5 75 . 1 1 42 42 GLN HE21 H 1 7.879 0.000 . . . . . . 42 GLN HE21 . 6732 5 76 . 1 1 42 42 GLN HE22 H 1 6.641 0.000 . . . . . . 42 GLN HE22 . 6732 5 77 . 1 1 42 42 GLN N N 15 116.449 0.000 . . . . . . 42 GLN N . 6732 5 78 . 1 1 42 42 GLN NE2 N 15 112.049 0.002 . . . . . . 42 GLN NE2 . 6732 5 79 . 1 1 43 43 LEU H H 1 8.600 0.000 . . . . . . 43 LEU H . 6732 5 80 . 1 1 43 43 LEU N N 15 125.213 0.000 . . . . . . 43 LEU N . 6732 5 81 . 1 1 44 44 VAL H H 1 8.448 0.000 . . . . . . 44 VAL H . 6732 5 82 . 1 1 44 44 VAL N N 15 121.032 0.000 . . . . . . 44 VAL N . 6732 5 83 . 1 1 45 45 SER H H 1 8.040 0.000 . . . . . . 45 SER H . 6732 5 84 . 1 1 45 45 SER N N 15 120.911 0.000 . . . . . . 45 SER N . 6732 5 85 . 1 1 46 46 ILE H H 1 3.463 0.000 . . . . . . 46 ILE H . 6732 5 86 . 1 1 46 46 ILE N N 15 117.803 0.000 . . . . . . 46 ILE N . 6732 5 87 . 1 1 47 47 HIS H H 1 8.760 0.000 . . . . . . 47 HIS H . 6732 5 88 . 1 1 47 47 HIS N N 15 121.022 0.000 . . . . . . 47 HIS N . 6732 5 89 . 1 1 48 48 SER H H 1 7.165 0.000 . . . . . . 48 SER H . 6732 5 90 . 1 1 48 48 SER N N 15 111.756 0.000 . . . . . . 48 SER N . 6732 5 91 . 1 1 50 50 GLU H H 1 8.881 0.000 . . . . . . 50 GLU H . 6732 5 92 . 1 1 50 50 GLU N N 15 119.001 0.000 . . . . . . 50 GLU N . 6732 5 93 . 1 1 51 51 GLU H H 1 7.816 0.000 . . . . . . 51 GLU H . 6732 5 94 . 1 1 51 51 GLU N N 15 121.563 0.000 . . . . . . 51 GLU N . 6732 5 95 . 1 1 52 52 GLN H H 1 7.715 0.000 . . . . . . 52 GLN H . 6732 5 96 . 1 1 52 52 GLN HE21 H 1 7.104 0.000 . . . . . . 52 GLN HE21 . 6732 5 97 . 1 1 52 52 GLN HE22 H 1 6.469 0.000 . . . . . . 52 GLN HE22 . 6732 5 98 . 1 1 52 52 GLN N N 15 118.104 0.000 . . . . . . 52 GLN N . 6732 5 99 . 1 1 52 52 GLN NE2 N 15 115.381 0.010 . . . . . . 52 GLN NE2 . 6732 5 100 . 1 1 53 53 ASP H H 1 8.550 0.000 . . . . . . 53 ASP H . 6732 5 101 . 1 1 53 53 ASP N N 15 119.670 0.000 . . . . . . 53 ASP N . 6732 5 102 . 1 1 54 54 PHE H H 1 7.336 0.000 . . . . . . 54 PHE H . 6732 5 103 . 1 1 54 54 PHE N N 15 120.390 0.000 . . . . . . 54 PHE N . 6732 5 104 . 1 1 55 55 LEU H H 1 8.014 0.000 . . . . . . 55 LEU H . 6732 5 105 . 1 1 55 55 LEU N N 15 120.336 0.000 . . . . . . 55 LEU N . 6732 5 106 . 1 1 56 56 THR H H 1 8.994 0.000 . . . . . . 56 THR H . 6732 5 107 . 1 1 56 56 THR N N 15 116.381 0.000 . . . . . . 56 THR N . 6732 5 108 . 1 1 57 57 LYS H H 1 7.255 0.000 . . . . . . 57 LYS H . 6732 5 109 . 1 1 57 57 LYS N N 15 118.414 0.000 . . . . . . 57 LYS N . 6732 5 110 . 1 1 58 58 HIS H H 1 6.800 0.000 . . . . . . 58 HIS H . 6732 5 111 . 1 1 58 58 HIS N N 15 114.865 0.000 . . . . . . 58 HIS N . 6732 5 112 . 1 1 59 59 ALA H H 1 7.328 0.000 . . . . . . 59 ALA H . 6732 5 113 . 1 1 59 59 ALA N N 15 122.981 0.000 . . . . . . 59 ALA N . 6732 5 114 . 1 1 60 60 SER H H 1 8.616 0.000 . . . . . . 60 SER H . 6732 5 115 . 1 1 60 60 SER N N 15 114.537 0.000 . . . . . . 60 SER N . 6732 5 116 . 1 1 63 63 GLY H H 1 7.042 0.000 . . . . . . 63 GLY H . 6732 5 117 . 1 1 63 63 GLY N N 15 109.313 0.000 . . . . . . 63 GLY N . 6732 5 118 . 1 1 64 64 SER H H 1 8.498 0.000 . . . . . . 64 SER H . 6732 5 119 . 1 1 64 64 SER N N 15 114.184 0.000 . . . . . . 64 SER N . 6732 5 120 . 1 1 65 65 TRP H H 1 8.373 0.000 . . . . . . 65 TRP H . 6732 5 121 . 1 1 65 65 TRP HE1 H 1 10.319 0.000 . . . . . . 65 TRP HE1 . 6732 5 122 . 1 1 65 65 TRP N N 15 124.455 0.000 . . . . . . 65 TRP N . 6732 5 123 . 1 1 65 65 TRP NE1 N 15 129.452 0.000 . . . . . . 65 TRP NE1 . 6732 5 124 . 1 1 66 66 ILE H H 1 8.176 0.000 . . . . . . 66 ILE H . 6732 5 125 . 1 1 66 66 ILE N N 15 110.354 0.000 . . . . . . 66 ILE N . 6732 5 126 . 1 1 67 67 GLY H H 1 9.562 0.000 . . . . . . 67 GLY H . 6732 5 127 . 1 1 67 67 GLY N N 15 110.017 0.000 . . . . . . 67 GLY N . 6732 5 128 . 1 1 68 68 LEU H H 1 7.358 0.000 . . . . . . 68 LEU H . 6732 5 129 . 1 1 68 68 LEU N N 15 125.483 0.000 . . . . . . 68 LEU N . 6732 5 130 . 1 1 69 69 ARG H H 1 7.573 0.000 . . . . . . 69 ARG H . 6732 5 131 . 1 1 69 69 ARG N N 15 120.258 0.000 . . . . . . 69 ARG N . 6732 5 132 . 1 1 70 70 ASN H H 1 8.796 0.000 . . . . . . 70 ASN H . 6732 5 133 . 1 1 70 70 ASN N N 15 122.192 0.000 . . . . . . 70 ASN N . 6732 5 134 . 1 1 71 71 LEU H H 1 7.807 0.000 . . . . . . 71 LEU H . 6732 5 135 . 1 1 71 71 LEU N N 15 127.365 0.000 . . . . . . 71 LEU N . 6732 5 136 . 1 1 74 74 LYS H H 1 7.807 0.000 . . . . . . 74 LYS H . 6732 5 137 . 1 1 74 74 LYS N N 15 117.080 0.000 . . . . . . 74 LYS N . 6732 5 138 . 1 1 75 75 GLY H H 1 8.563 0.000 . . . . . . 75 GLY H . 6732 5 139 . 1 1 75 75 GLY N N 15 108.738 0.000 . . . . . . 75 GLY N . 6732 5 140 . 1 1 76 76 GLU H H 1 7.500 0.000 . . . . . . 76 GLU H . 6732 5 141 . 1 1 76 76 GLU N N 15 118.958 0.000 . . . . . . 76 GLU N . 6732 5 142 . 1 1 77 77 PHE H H 1 8.683 0.000 . . . . . . 77 PHE H . 6732 5 143 . 1 1 77 77 PHE N N 15 123.416 0.000 . . . . . . 77 PHE N . 6732 5 144 . 1 1 78 78 ILE H H 1 8.481 0.000 . . . . . . 78 ILE H . 6732 5 145 . 1 1 78 78 ILE N N 15 123.582 0.000 . . . . . . 78 ILE N . 6732 5 146 . 1 1 79 79 TRP H H 1 8.682 0.000 . . . . . . 79 TRP H . 6732 5 147 . 1 1 79 79 TRP HE1 H 1 10.135 0.000 . . . . . . 79 TRP HE1 . 6732 5 148 . 1 1 79 79 TRP N N 15 129.949 0.000 . . . . . . 79 TRP N . 6732 5 149 . 1 1 79 79 TRP NE1 N 15 129.263 0.000 . . . . . . 79 TRP NE1 . 6732 5 150 . 1 1 80 80 VAL H H 1 9.056 0.000 . . . . . . 80 VAL H . 6732 5 151 . 1 1 80 80 VAL N N 15 117.794 0.000 . . . . . . 80 VAL N . 6732 5 152 . 1 1 81 81 ASP H H 1 7.775 0.000 . . . . . . 81 ASP H . 6732 5 153 . 1 1 81 81 ASP N N 15 118.353 0.000 . . . . . . 81 ASP N . 6732 5 154 . 1 1 82 82 GLY H H 1 8.779 0.000 . . . . . . 82 GLY H . 6732 5 155 . 1 1 82 82 GLY N N 15 109.844 0.000 . . . . . . 82 GLY N . 6732 5 156 . 1 1 83 83 SER H H 1 8.537 0.000 . . . . . . 83 SER H . 6732 5 157 . 1 1 83 83 SER N N 15 117.765 0.000 . . . . . . 83 SER N . 6732 5 158 . 1 1 84 84 HIS H H 1 8.446 0.000 . . . . . . 84 HIS H . 6732 5 159 . 1 1 84 84 HIS N N 15 118.310 0.000 . . . . . . 84 HIS N . 6732 5 160 . 1 1 85 85 VAL H H 1 9.169 0.000 . . . . . . 85 VAL H . 6732 5 161 . 1 1 85 85 VAL N N 15 121.536 0.000 . . . . . . 85 VAL N . 6732 5 162 . 1 1 86 86 ASP H H 1 9.085 0.000 . . . . . . 86 ASP H . 6732 5 163 . 1 1 86 86 ASP N N 15 128.986 0.000 . . . . . . 86 ASP N . 6732 5 164 . 1 1 87 87 TYR H H 1 9.983 0.000 . . . . . . 87 TYR H . 6732 5 165 . 1 1 87 87 TYR N N 15 125.528 0.000 . . . . . . 87 TYR N . 6732 5 166 . 1 1 88 88 SER H H 1 7.188 0.000 . . . . . . 88 SER H . 6732 5 167 . 1 1 88 88 SER N N 15 118.892 0.000 . . . . . . 88 SER N . 6732 5 168 . 1 1 89 89 ASN H H 1 2.633 0.000 . . . . . . 89 ASN H . 6732 5 169 . 1 1 89 89 ASN HD21 H 1 7.084 0.000 . . . . . . 89 ASN HD21 . 6732 5 170 . 1 1 89 89 ASN HD22 H 1 6.079 0.000 . . . . . . 89 ASN HD22 . 6732 5 171 . 1 1 89 89 ASN N N 15 115.318 0.000 . . . . . . 89 ASN N . 6732 5 172 . 1 1 89 89 ASN ND2 N 15 112.133 0.003 . . . . . . 89 ASN ND2 . 6732 5 173 . 1 1 90 90 TRP H H 1 7.455 0.000 . . . . . . 90 TRP H . 6732 5 174 . 1 1 90 90 TRP HE1 H 1 10.217 0.000 . . . . . . 90 TRP HE1 . 6732 5 175 . 1 1 90 90 TRP N N 15 120.562 0.000 . . . . . . 90 TRP N . 6732 5 176 . 1 1 90 90 TRP NE1 N 15 128.055 0.000 . . . . . . 90 TRP NE1 . 6732 5 177 . 1 1 91 91 ALA H H 1 9.399 0.000 . . . . . . 91 ALA H . 6732 5 178 . 1 1 91 91 ALA N N 15 126.204 0.000 . . . . . . 91 ALA N . 6732 5 179 . 1 1 94 94 GLU H H 1 7.951 0.000 . . . . . . 94 GLU H . 6732 5 180 . 1 1 94 94 GLU N N 15 119.259 0.000 . . . . . . 94 GLU N . 6732 5 181 . 1 1 104 104 CYS H H 1 8.477 0.000 . . . . . . 104 CYS H . 6732 5 182 . 1 1 104 104 CYS N N 15 118.406 0.000 . . . . . . 104 CYS N . 6732 5 183 . 1 1 105 105 VAL H H 1 7.452 0.000 . . . . . . 105 VAL H . 6732 5 184 . 1 1 105 105 VAL N N 15 119.868 0.000 . . . . . . 105 VAL N . 6732 5 185 . 1 1 106 106 MET H H 1 8.787 0.000 . . . . . . 106 MET H . 6732 5 186 . 1 1 106 106 MET N N 15 120.876 0.000 . . . . . . 106 MET N . 6732 5 187 . 1 1 107 107 MET H H 1 9.432 0.000 . . . . . . 107 MET H . 6732 5 188 . 1 1 107 107 MET N N 15 119.704 0.000 . . . . . . 107 MET N . 6732 5 189 . 1 1 108 108 ARG H H 1 9.089 0.000 . . . . . . 108 ARG H . 6732 5 190 . 1 1 108 108 ARG N N 15 125.631 0.000 . . . . . . 108 ARG N . 6732 5 191 . 1 1 111 111 GLY H H 1 8.287 0.000 . . . . . . 111 GLY H . 6732 5 192 . 1 1 111 111 GLY N N 15 112.173 0.000 . . . . . . 111 GLY N . 6732 5 193 . 1 1 112 112 ARG H H 1 7.251 0.000 . . . . . . 112 ARG H . 6732 5 194 . 1 1 112 112 ARG N N 15 116.345 0.000 . . . . . . 112 ARG N . 6732 5 195 . 1 1 113 113 TRP H H 1 8.410 0.000 . . . . . . 113 TRP H . 6732 5 196 . 1 1 113 113 TRP HE1 H 1 10.935 0.000 . . . . . . 113 TRP HE1 . 6732 5 197 . 1 1 113 113 TRP N N 15 120.202 0.000 . . . . . . 113 TRP N . 6732 5 198 . 1 1 113 113 TRP NE1 N 15 130.097 0.000 . . . . . . 113 TRP NE1 . 6732 5 199 . 1 1 114 114 ASN H H 1 9.217 0.000 . . . . . . 114 ASN H . 6732 5 200 . 1 1 114 114 ASN N N 15 116.440 0.000 . . . . . . 114 ASN N . 6732 5 201 . 1 1 115 115 ASP H H 1 9.242 0.000 . . . . . . 115 ASP H . 6732 5 202 . 1 1 115 115 ASP N N 15 122.813 0.000 . . . . . . 115 ASP N . 6732 5 203 . 1 1 116 116 ALA H H 1 9.470 0.000 . . . . . . 116 ALA H . 6732 5 204 . 1 1 116 116 ALA N N 15 126.678 0.000 . . . . . . 116 ALA N . 6732 5 205 . 1 1 117 117 PHE H H 1 8.478 0.000 . . . . . . 117 PHE H . 6732 5 206 . 1 1 117 117 PHE N N 15 119.556 0.000 . . . . . . 117 PHE N . 6732 5 207 . 1 1 118 118 CYS H H 1 9.044 0.000 . . . . . . 118 CYS H . 6732 5 208 . 1 1 118 118 CYS N N 15 120.579 0.000 . . . . . . 118 CYS N . 6732 5 209 . 1 1 119 119 ASP H H 1 8.606 0.000 . . . . . . 119 ASP H . 6732 5 210 . 1 1 119 119 ASP N N 15 117.410 0.000 . . . . . . 119 ASP N . 6732 5 211 . 1 1 120 120 ARG H H 1 7.906 0.000 . . . . . . 120 ARG H . 6732 5 212 . 1 1 120 120 ARG N N 15 122.642 0.000 . . . . . . 120 ARG N . 6732 5 213 . 1 1 121 121 LYS H H 1 8.472 0.000 . . . . . . 121 LYS H . 6732 5 214 . 1 1 121 121 LYS N N 15 122.042 0.000 . . . . . . 121 LYS N . 6732 5 215 . 1 1 122 122 LEU H H 1 7.978 0.000 . . . . . . 122 LEU H . 6732 5 216 . 1 1 122 122 LEU N N 15 124.106 0.000 . . . . . . 122 LEU N . 6732 5 217 . 1 1 124 124 ALA H H 1 7.455 0.000 . . . . . . 124 ALA H . 6732 5 218 . 1 1 124 124 ALA N N 15 119.044 0.000 . . . . . . 124 ALA N . 6732 5 219 . 1 1 125 125 TRP H H 1 7.647 0.000 . . . . . . 125 TRP H . 6732 5 220 . 1 1 125 125 TRP HE1 H 1 9.815 0.000 . . . . . . 125 TRP HE1 . 6732 5 221 . 1 1 125 125 TRP N N 15 116.224 0.000 . . . . . . 125 TRP N . 6732 5 222 . 1 1 125 125 TRP NE1 N 15 130.249 0.000 . . . . . . 125 TRP NE1 . 6732 5 223 . 1 1 126 126 VAL H H 1 7.282 0.000 . . . . . . 126 VAL H . 6732 5 224 . 1 1 126 126 VAL N N 15 118.361 0.000 . . . . . . 126 VAL N . 6732 5 225 . 1 1 127 127 CYS H H 1 9.215 0.000 . . . . . . 127 CYS H . 6732 5 226 . 1 1 127 127 CYS N N 15 123.181 0.000 . . . . . . 127 CYS N . 6732 5 227 . 1 1 128 128 ASP H H 1 10.270 0.000 . . . . . . 128 ASP H . 6732 5 228 . 1 1 128 128 ASP N N 15 120.413 0.000 . . . . . . 128 ASP N . 6732 5 229 . 1 1 129 129 ARG H H 1 8.031 0.000 . . . . . . 129 ARG H . 6732 5 230 . 1 1 129 129 ARG N N 15 110.652 0.000 . . . . . . 129 ARG N . 6732 5 231 . 1 1 130 130 LEU H H 1 8.594 0.000 . . . . . . 130 LEU H . 6732 5 232 . 1 1 130 130 LEU N N 15 121.381 0.000 . . . . . . 130 LEU N . 6732 5 233 . 1 1 131 131 ALA H H 1 8.252 0.000 . . . . . . 131 ALA H . 6732 5 234 . 1 1 131 131 ALA N N 15 124.830 0.000 . . . . . . 131 ALA N . 6732 5 235 . 1 1 132 132 THR H H 1 8.702 0.000 . . . . . . 132 THR H . 6732 5 236 . 1 1 132 132 THR N N 15 114.585 0.000 . . . . . . 132 THR N . 6732 5 237 . 1 1 133 133 CYS H H 1 9.217 0.000 . . . . . . 133 CYS H . 6732 5 238 . 1 1 133 133 CYS N N 15 125.371 0.000 . . . . . . 133 CYS N . 6732 5 239 . 1 1 137 137 ALA H H 1 7.852 0.000 . . . . . . 137 ALA H . 6732 5 240 . 1 1 137 137 ALA N N 15 129.700 0.000 . . . . . . 137 ALA N . 6732 5 241 . 1 1 139 139 GLU H H 1 7.979 0.000 . . . . . . 139 GLU H . 6732 5 242 . 1 1 139 139 GLU N N 15 127.488 0.000 . . . . . . 139 GLU N . 6732 5 243 . 1 1 140 140 GLY H H 1 7.983 0.000 . . . . . . 140 GLY H . 6732 5 244 . 1 1 140 140 GLY N N 15 115.987 0.000 . . . . . . 140 GLY N . 6732 5 245 . 1 1 141 141 SER H H 1 7.836 0.000 . . . . . . 141 SER H . 6732 5 246 . 1 1 141 141 SER N N 15 121.340 0.000 . . . . . . 141 SER N . 6732 5 247 . 1 1 143 143 GLU H H 1 7.911 0.000 . . . . . . 143 GLU H . 6732 5 248 . 1 1 143 143 GLU N N 15 125.138 0.000 . . . . . . 143 GLU N . 6732 5 stop_ save_ save_without_IgE _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode without_IgE _Assigned_chem_shift_list.Entry_ID 6732 _Assigned_chem_shift_list.ID 6 _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 '1H15N chemical shifts of start point of IgE titration' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6732 6 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 4 4 VAL H H 1 8.336 0.000 . . . . . . 4 VAL H . 6732 6 2 . 1 1 4 4 VAL N N 15 121.911 0.000 . . . . . . 4 VAL N . 6732 6 3 . 1 1 5 5 CYS H H 1 7.993 0.000 . . . . . . 5 CYS H . 6732 6 4 . 1 1 5 5 CYS N N 15 129.515 0.000 . . . . . . 5 CYS N . 6732 6 5 . 1 1 6 6 ASN H H 1 8.602 0.000 . . . . . . 6 ASN H . 6732 6 6 . 1 1 6 6 ASN N N 15 123.956 0.000 . . . . . . 6 ASN N . 6732 6 7 . 1 1 7 7 THR H H 1 8.049 0.000 . . . . . . 7 THR H . 6732 6 8 . 1 1 7 7 THR N N 15 116.633 0.000 . . . . . . 7 THR N . 6732 6 9 . 1 1 8 8 CYS H H 1 9.328 0.000 . . . . . . 8 CYS H . 6732 6 10 . 1 1 8 8 CYS N N 15 126.701 0.000 . . . . . . 8 CYS N . 6732 6 11 . 1 1 10 10 GLU H H 1 8.532 0.000 . . . . . . 10 GLU H . 6732 6 12 . 1 1 10 10 GLU N N 15 121.671 0.000 . . . . . . 10 GLU N . 6732 6 13 . 1 1 11 11 LYS H H 1 8.790 0.000 . . . . . . 11 LYS H . 6732 6 14 . 1 1 11 11 LYS N N 15 115.176 0.000 . . . . . . 11 LYS N . 6732 6 15 . 1 1 12 12 TRP H H 1 8.501 0.000 . . . . . . 12 TRP H . 6732 6 16 . 1 1 12 12 TRP HE1 H 1 10.436 0.000 . . . . . . 12 TRP HE1 . 6732 6 17 . 1 1 12 12 TRP N N 15 120.208 0.000 . . . . . . 12 TRP N . 6732 6 18 . 1 1 12 12 TRP NE1 N 15 132.234 0.000 . . . . . . 12 TRP NE1 . 6732 6 19 . 1 1 13 13 ILE H H 1 9.857 0.000 . . . . . . 13 ILE H . 6732 6 20 . 1 1 13 13 ILE N N 15 120.842 0.000 . . . . . . 13 ILE N . 6732 6 21 . 1 1 14 14 ASN H H 1 9.084 0.000 . . . . . . 14 ASN H . 6732 6 22 . 1 1 14 14 ASN HD21 H 1 7.209 0.000 . . . . . . 14 ASN HD21 . 6732 6 23 . 1 1 14 14 ASN HD22 H 1 6.433 0.000 . . . . . . 14 ASN HD22 . 6732 6 24 . 1 1 14 14 ASN N N 15 125.589 0.000 . . . . . . 14 ASN N . 6732 6 25 . 1 1 14 14 ASN ND2 N 15 109.284 0.006 . . . . . . 14 ASN ND2 . 6732 6 26 . 1 1 15 15 PHE H H 1 8.358 0.000 . . . . . . 15 PHE H . 6732 6 27 . 1 1 15 15 PHE N N 15 124.325 0.000 . . . . . . 15 PHE N . 6732 6 28 . 1 1 18 18 LYS H H 1 8.080 0.000 . . . . . . 18 LYS H . 6732 6 29 . 1 1 18 18 LYS N N 15 119.014 0.000 . . . . . . 18 LYS N . 6732 6 30 . 1 1 19 19 CYS H H 1 8.961 0.000 . . . . . . 19 CYS H . 6732 6 31 . 1 1 19 19 CYS N N 15 118.999 0.000 . . . . . . 19 CYS N . 6732 6 32 . 1 1 20 20 TYR H H 1 9.777 0.000 . . . . . . 20 TYR H . 6732 6 33 . 1 1 20 20 TYR N N 15 120.307 0.000 . . . . . . 20 TYR N . 6732 6 34 . 1 1 21 21 TYR H H 1 8.447 0.000 . . . . . . 21 TYR H . 6732 6 35 . 1 1 21 21 TYR N N 15 123.411 0.000 . . . . . . 21 TYR N . 6732 6 36 . 1 1 22 22 PHE H H 1 7.622 0.000 . . . . . . 22 PHE H . 6732 6 37 . 1 1 22 22 PHE N N 15 127.597 0.000 . . . . . . 22 PHE N . 6732 6 38 . 1 1 23 23 GLY H H 1 7.783 0.000 . . . . . . 23 GLY H . 6732 6 39 . 1 1 23 23 GLY N N 15 112.294 0.000 . . . . . . 23 GLY N . 6732 6 40 . 1 1 24 24 LYS H H 1 7.629 0.000 . . . . . . 24 LYS H . 6732 6 41 . 1 1 24 24 LYS N N 15 121.035 0.000 . . . . . . 24 LYS N . 6732 6 42 . 1 1 25 25 GLY H H 1 8.069 0.000 . . . . . . 25 GLY H . 6732 6 43 . 1 1 25 25 GLY N N 15 114.109 0.000 . . . . . . 25 GLY N . 6732 6 44 . 1 1 28 28 GLN H H 1 7.375 0.000 . . . . . . 28 GLN H . 6732 6 45 . 1 1 28 28 GLN N N 15 122.815 0.000 . . . . . . 28 GLN N . 6732 6 46 . 1 1 29 29 TRP H H 1 7.491 0.000 . . . . . . 29 TRP H . 6732 6 47 . 1 1 29 29 TRP HE1 H 1 10.449 0.000 . . . . . . 29 TRP HE1 . 6732 6 48 . 1 1 29 29 TRP N N 15 122.887 0.000 . . . . . . 29 TRP N . 6732 6 49 . 1 1 29 29 TRP NE1 N 15 128.935 0.000 . . . . . . 29 TRP NE1 . 6732 6 50 . 1 1 30 30 VAL H H 1 9.256 0.000 . . . . . . 30 VAL H . 6732 6 51 . 1 1 30 30 VAL N N 15 115.009 0.000 . . . . . . 30 VAL N . 6732 6 52 . 1 1 31 31 HIS H H 1 6.366 0.000 . . . . . . 31 HIS H . 6732 6 53 . 1 1 31 31 HIS N N 15 118.065 0.000 . . . . . . 31 HIS N . 6732 6 54 . 1 1 32 32 ALA H H 1 7.934 0.000 . . . . . . 32 ALA H . 6732 6 55 . 1 1 32 32 ALA N N 15 126.249 0.000 . . . . . . 32 ALA N . 6732 6 56 . 1 1 33 33 ARG H H 1 7.801 0.000 . . . . . . 33 ARG H . 6732 6 57 . 1 1 33 33 ARG N N 15 119.744 0.000 . . . . . . 33 ARG N . 6732 6 58 . 1 1 34 34 TYR H H 1 7.853 0.000 . . . . . . 34 TYR H . 6732 6 59 . 1 1 34 34 TYR N N 15 118.427 0.000 . . . . . . 34 TYR N . 6732 6 60 . 1 1 35 35 ALA H H 1 7.832 0.000 . . . . . . 35 ALA H . 6732 6 61 . 1 1 35 35 ALA N N 15 122.792 0.000 . . . . . . 35 ALA N . 6732 6 62 . 1 1 36 36 CYS H H 1 7.820 0.000 . . . . . . 36 CYS H . 6732 6 63 . 1 1 36 36 CYS N N 15 113.511 0.000 . . . . . . 36 CYS N . 6732 6 64 . 1 1 37 37 ASP H H 1 7.950 0.000 . . . . . . 37 ASP H . 6732 6 65 . 1 1 37 37 ASP N N 15 123.739 0.000 . . . . . . 37 ASP N . 6732 6 66 . 1 1 38 38 ASP H H 1 8.536 0.000 . . . . . . 38 ASP H . 6732 6 67 . 1 1 38 38 ASP N N 15 120.560 0.000 . . . . . . 38 ASP N . 6732 6 68 . 1 1 39 39 MET H H 1 7.429 0.000 . . . . . . 39 MET H . 6732 6 69 . 1 1 39 39 MET N N 15 116.775 0.000 . . . . . . 39 MET N . 6732 6 70 . 1 1 40 40 GLU H H 1 8.075 0.000 . . . . . . 40 GLU H . 6732 6 71 . 1 1 40 40 GLU N N 15 112.895 0.000 . . . . . . 40 GLU N . 6732 6 72 . 1 1 41 41 GLY H H 1 8.069 0.000 . . . . . . 41 GLY H . 6732 6 73 . 1 1 41 41 GLY N N 15 105.636 0.000 . . . . . . 41 GLY N . 6732 6 74 . 1 1 42 42 GLN H H 1 8.999 0.000 . . . . . . 42 GLN H . 6732 6 75 . 1 1 42 42 GLN HE21 H 1 7.900 0.000 . . . . . . 42 GLN HE21 . 6732 6 76 . 1 1 42 42 GLN HE22 H 1 6.646 0.000 . . . . . . 42 GLN HE22 . 6732 6 77 . 1 1 42 42 GLN N N 15 116.381 0.000 . . . . . . 42 GLN N . 6732 6 78 . 1 1 42 42 GLN NE2 N 15 112.031 0.001 . . . . . . 42 GLN NE2 . 6732 6 79 . 1 1 43 43 LEU H H 1 8.589 0.000 . . . . . . 43 LEU H . 6732 6 80 . 1 1 43 43 LEU N N 15 124.878 0.000 . . . . . . 43 LEU N . 6732 6 81 . 1 1 44 44 VAL H H 1 8.448 0.000 . . . . . . 44 VAL H . 6732 6 82 . 1 1 44 44 VAL N N 15 121.032 0.000 . . . . . . 44 VAL N . 6732 6 83 . 1 1 45 45 SER H H 1 8.052 0.000 . . . . . . 45 SER H . 6732 6 84 . 1 1 45 45 SER N N 15 120.794 0.000 . . . . . . 45 SER N . 6732 6 85 . 1 1 46 46 ILE H H 1 3.484 0.000 . . . . . . 46 ILE H . 6732 6 86 . 1 1 46 46 ILE N N 15 117.841 0.000 . . . . . . 46 ILE N . 6732 6 87 . 1 1 47 47 HIS H H 1 8.756 0.000 . . . . . . 47 HIS H . 6732 6 88 . 1 1 47 47 HIS N N 15 120.850 0.000 . . . . . . 47 HIS N . 6732 6 89 . 1 1 48 48 SER H H 1 7.179 0.000 . . . . . . 48 SER H . 6732 6 90 . 1 1 48 48 SER N N 15 111.718 0.000 . . . . . . 48 SER N . 6732 6 91 . 1 1 50 50 GLU H H 1 8.880 0.000 . . . . . . 50 GLU H . 6732 6 92 . 1 1 50 50 GLU N N 15 118.806 0.000 . . . . . . 50 GLU N . 6732 6 93 . 1 1 51 51 GLU H H 1 7.821 0.000 . . . . . . 51 GLU H . 6732 6 94 . 1 1 51 51 GLU N N 15 121.470 0.000 . . . . . . 51 GLU N . 6732 6 95 . 1 1 52 52 GLN H H 1 7.718 0.000 . . . . . . 52 GLN H . 6732 6 96 . 1 1 52 52 GLN HE21 H 1 7.101 0.000 . . . . . . 52 GLN HE21 . 6732 6 97 . 1 1 52 52 GLN HE22 H 1 6.483 0.000 . . . . . . 52 GLN HE22 . 6732 6 98 . 1 1 52 52 GLN N N 15 118.032 0.000 . . . . . . 52 GLN N . 6732 6 99 . 1 1 52 52 GLN NE2 N 15 115.261 0.000 . . . . . . 52 GLN NE2 . 6732 6 100 . 1 1 53 53 ASP H H 1 8.550 0.000 . . . . . . 53 ASP H . 6732 6 101 . 1 1 53 53 ASP N N 15 119.670 0.000 . . . . . . 53 ASP N . 6732 6 102 . 1 1 54 54 PHE H H 1 7.335 0.000 . . . . . . 54 PHE H . 6732 6 103 . 1 1 54 54 PHE N N 15 120.491 0.000 . . . . . . 54 PHE N . 6732 6 104 . 1 1 55 55 LEU H H 1 7.997 0.000 . . . . . . 55 LEU H . 6732 6 105 . 1 1 55 55 LEU N N 15 119.957 0.000 . . . . . . 55 LEU N . 6732 6 106 . 1 1 56 56 THR H H 1 8.975 0.000 . . . . . . 56 THR H . 6732 6 107 . 1 1 56 56 THR N N 15 115.876 0.000 . . . . . . 56 THR N . 6732 6 108 . 1 1 57 57 LYS H H 1 7.243 0.000 . . . . . . 57 LYS H . 6732 6 109 . 1 1 57 57 LYS N N 15 118.545 0.000 . . . . . . 57 LYS N . 6732 6 110 . 1 1 58 58 HIS H H 1 6.739 0.000 . . . . . . 58 HIS H . 6732 6 111 . 1 1 58 58 HIS N N 15 114.983 0.000 . . . . . . 58 HIS N . 6732 6 112 . 1 1 59 59 ALA H H 1 7.340 0.000 . . . . . . 59 ALA H . 6732 6 113 . 1 1 59 59 ALA N N 15 122.788 0.000 . . . . . . 59 ALA N . 6732 6 114 . 1 1 60 60 SER H H 1 8.621 0.000 . . . . . . 60 SER H . 6732 6 115 . 1 1 60 60 SER N N 15 114.346 0.000 . . . . . . 60 SER N . 6732 6 116 . 1 1 63 63 GLY H H 1 7.051 0.000 . . . . . . 63 GLY H . 6732 6 117 . 1 1 63 63 GLY N N 15 109.148 0.000 . . . . . . 63 GLY N . 6732 6 118 . 1 1 64 64 SER H H 1 8.501 0.000 . . . . . . 64 SER H . 6732 6 119 . 1 1 64 64 SER N N 15 113.895 0.000 . . . . . . 64 SER N . 6732 6 120 . 1 1 65 65 TRP H H 1 8.355 0.000 . . . . . . 65 TRP H . 6732 6 121 . 1 1 65 65 TRP HE1 H 1 10.307 0.000 . . . . . . 65 TRP HE1 . 6732 6 122 . 1 1 65 65 TRP N N 15 124.399 0.000 . . . . . . 65 TRP N . 6732 6 123 . 1 1 65 65 TRP NE1 N 15 129.520 0.000 . . . . . . 65 TRP NE1 . 6732 6 124 . 1 1 66 66 ILE H H 1 8.198 0.000 . . . . . . 66 ILE H . 6732 6 125 . 1 1 66 66 ILE N N 15 110.288 0.000 . . . . . . 66 ILE N . 6732 6 126 . 1 1 67 67 GLY H H 1 9.574 0.000 . . . . . . 67 GLY H . 6732 6 127 . 1 1 67 67 GLY N N 15 109.971 0.000 . . . . . . 67 GLY N . 6732 6 128 . 1 1 68 68 LEU H H 1 7.375 0.000 . . . . . . 68 LEU H . 6732 6 129 . 1 1 68 68 LEU N N 15 125.348 0.000 . . . . . . 68 LEU N . 6732 6 130 . 1 1 69 69 ARG H H 1 7.585 0.000 . . . . . . 69 ARG H . 6732 6 131 . 1 1 69 69 ARG N N 15 120.282 0.000 . . . . . . 69 ARG N . 6732 6 132 . 1 1 70 70 ASN H H 1 8.844 0.000 . . . . . . 70 ASN H . 6732 6 133 . 1 1 70 70 ASN N N 15 122.241 0.000 . . . . . . 70 ASN N . 6732 6 134 . 1 1 71 71 LEU H H 1 7.830 0.000 . . . . . . 71 LEU H . 6732 6 135 . 1 1 71 71 LEU N N 15 127.363 0.000 . . . . . . 71 LEU N . 6732 6 136 . 1 1 74 74 LYS H H 1 7.773 0.000 . . . . . . 74 LYS H . 6732 6 137 . 1 1 74 74 LYS N N 15 116.815 0.000 . . . . . . 74 LYS N . 6732 6 138 . 1 1 75 75 GLY H H 1 8.565 0.000 . . . . . . 75 GLY H . 6732 6 139 . 1 1 75 75 GLY N N 15 108.664 0.000 . . . . . . 75 GLY N . 6732 6 140 . 1 1 76 76 GLU H H 1 7.469 0.000 . . . . . . 76 GLU H . 6732 6 141 . 1 1 76 76 GLU N N 15 118.637 0.000 . . . . . . 76 GLU N . 6732 6 142 . 1 1 77 77 PHE H H 1 8.667 0.000 . . . . . . 77 PHE H . 6732 6 143 . 1 1 77 77 PHE N N 15 123.012 0.000 . . . . . . 77 PHE N . 6732 6 144 . 1 1 78 78 ILE H H 1 8.481 0.000 . . . . . . 78 ILE H . 6732 6 145 . 1 1 78 78 ILE N N 15 123.393 0.000 . . . . . . 78 ILE N . 6732 6 146 . 1 1 79 79 TRP H H 1 8.725 0.000 . . . . . . 79 TRP H . 6732 6 147 . 1 1 79 79 TRP HE1 H 1 10.171 0.000 . . . . . . 79 TRP HE1 . 6732 6 148 . 1 1 79 79 TRP N N 15 129.988 0.000 . . . . . . 79 TRP N . 6732 6 149 . 1 1 79 79 TRP NE1 N 15 129.238 0.000 . . . . . . 79 TRP NE1 . 6732 6 150 . 1 1 80 80 VAL H H 1 9.072 0.000 . . . . . . 80 VAL H . 6732 6 151 . 1 1 80 80 VAL N N 15 117.564 0.000 . . . . . . 80 VAL N . 6732 6 152 . 1 1 81 81 ASP H H 1 7.774 0.000 . . . . . . 81 ASP H . 6732 6 153 . 1 1 81 81 ASP N N 15 118.277 0.000 . . . . . . 81 ASP N . 6732 6 154 . 1 1 82 82 GLY H H 1 8.796 0.000 . . . . . . 82 GLY H . 6732 6 155 . 1 1 82 82 GLY N N 15 109.772 0.000 . . . . . . 82 GLY N . 6732 6 156 . 1 1 83 83 SER H H 1 8.530 0.000 . . . . . . 83 SER H . 6732 6 157 . 1 1 83 83 SER N N 15 117.764 0.000 . . . . . . 83 SER N . 6732 6 158 . 1 1 84 84 HIS H H 1 8.458 0.000 . . . . . . 84 HIS H . 6732 6 159 . 1 1 84 84 HIS N N 15 118.164 0.000 . . . . . . 84 HIS N . 6732 6 160 . 1 1 85 85 VAL H H 1 9.125 0.000 . . . . . . 85 VAL H . 6732 6 161 . 1 1 85 85 VAL N N 15 121.350 0.000 . . . . . . 85 VAL N . 6732 6 162 . 1 1 86 86 ASP H H 1 9.076 0.000 . . . . . . 86 ASP H . 6732 6 163 . 1 1 86 86 ASP N N 15 128.868 0.000 . . . . . . 86 ASP N . 6732 6 164 . 1 1 87 87 TYR H H 1 9.917 0.000 . . . . . . 87 TYR H . 6732 6 165 . 1 1 87 87 TYR N N 15 125.288 0.000 . . . . . . 87 TYR N . 6732 6 166 . 1 1 88 88 SER H H 1 7.186 0.000 . . . . . . 88 SER H . 6732 6 167 . 1 1 88 88 SER N N 15 118.777 0.000 . . . . . . 88 SER N . 6732 6 168 . 1 1 89 89 ASN H H 1 2.641 0.000 . . . . . . 89 ASN H . 6732 6 169 . 1 1 89 89 ASN HD21 H 1 7.076 0.000 . . . . . . 89 ASN HD21 . 6732 6 170 . 1 1 89 89 ASN HD22 H 1 6.091 0.000 . . . . . . 89 ASN HD22 . 6732 6 171 . 1 1 89 89 ASN N N 15 115.210 0.000 . . . . . . 89 ASN N . 6732 6 172 . 1 1 89 89 ASN ND2 N 15 112.123 0.005 . . . . . . 89 ASN ND2 . 6732 6 173 . 1 1 90 90 TRP H H 1 7.441 0.000 . . . . . . 90 TRP H . 6732 6 174 . 1 1 90 90 TRP HE1 H 1 10.229 0.000 . . . . . . 90 TRP HE1 . 6732 6 175 . 1 1 90 90 TRP N N 15 120.393 0.000 . . . . . . 90 TRP N . 6732 6 176 . 1 1 90 90 TRP NE1 N 15 127.952 0.000 . . . . . . 90 TRP NE1 . 6732 6 177 . 1 1 91 91 ALA H H 1 9.413 0.000 . . . . . . 91 ALA H . 6732 6 178 . 1 1 91 91 ALA N N 15 126.198 0.000 . . . . . . 91 ALA N . 6732 6 179 . 1 1 94 94 GLU H H 1 7.951 0.000 . . . . . . 94 GLU H . 6732 6 180 . 1 1 94 94 GLU N N 15 119.259 0.000 . . . . . . 94 GLU N . 6732 6 181 . 1 1 104 104 CYS H H 1 8.482 0.000 . . . . . . 104 CYS H . 6732 6 182 . 1 1 104 104 CYS N N 15 118.236 0.000 . . . . . . 104 CYS N . 6732 6 183 . 1 1 105 105 VAL H H 1 7.471 0.000 . . . . . . 105 VAL H . 6732 6 184 . 1 1 105 105 VAL N N 15 119.853 0.000 . . . . . . 105 VAL N . 6732 6 185 . 1 1 106 106 MET H H 1 8.795 0.000 . . . . . . 106 MET H . 6732 6 186 . 1 1 106 106 MET N N 15 120.878 0.000 . . . . . . 106 MET N . 6732 6 187 . 1 1 107 107 MET H H 1 9.442 0.000 . . . . . . 107 MET H . 6732 6 188 . 1 1 107 107 MET N N 15 119.621 0.000 . . . . . . 107 MET N . 6732 6 189 . 1 1 108 108 ARG H H 1 9.105 0.000 . . . . . . 108 ARG H . 6732 6 190 . 1 1 108 108 ARG N N 15 125.165 0.000 . . . . . . 108 ARG N . 6732 6 191 . 1 1 111 111 GLY H H 1 8.299 0.000 . . . . . . 111 GLY H . 6732 6 192 . 1 1 111 111 GLY N N 15 112.044 0.000 . . . . . . 111 GLY N . 6732 6 193 . 1 1 112 112 ARG H H 1 7.273 0.000 . . . . . . 112 ARG H . 6732 6 194 . 1 1 112 112 ARG N N 15 116.201 0.000 . . . . . . 112 ARG N . 6732 6 195 . 1 1 113 113 TRP H H 1 8.410 0.000 . . . . . . 113 TRP H . 6732 6 196 . 1 1 113 113 TRP HE1 H 1 10.942 0.000 . . . . . . 113 TRP HE1 . 6732 6 197 . 1 1 113 113 TRP N N 15 120.202 0.000 . . . . . . 113 TRP N . 6732 6 198 . 1 1 113 113 TRP NE1 N 15 130.027 0.000 . . . . . . 113 TRP NE1 . 6732 6 199 . 1 1 114 114 ASN H H 1 9.221 0.000 . . . . . . 114 ASN H . 6732 6 200 . 1 1 114 114 ASN N N 15 116.492 0.000 . . . . . . 114 ASN N . 6732 6 201 . 1 1 115 115 ASP H H 1 9.245 0.000 . . . . . . 115 ASP H . 6732 6 202 . 1 1 115 115 ASP N N 15 122.889 0.000 . . . . . . 115 ASP N . 6732 6 203 . 1 1 116 116 ALA H H 1 9.544 0.000 . . . . . . 116 ALA H . 6732 6 204 . 1 1 116 116 ALA N N 15 127.217 0.000 . . . . . . 116 ALA N . 6732 6 205 . 1 1 117 117 PHE H H 1 8.461 0.000 . . . . . . 117 PHE H . 6732 6 206 . 1 1 117 117 PHE N N 15 119.363 0.000 . . . . . . 117 PHE N . 6732 6 207 . 1 1 118 118 CYS H H 1 9.017 0.000 . . . . . . 118 CYS H . 6732 6 208 . 1 1 118 118 CYS N N 15 120.485 0.000 . . . . . . 118 CYS N . 6732 6 209 . 1 1 119 119 ASP H H 1 8.595 0.000 . . . . . . 119 ASP H . 6732 6 210 . 1 1 119 119 ASP N N 15 117.194 0.000 . . . . . . 119 ASP N . 6732 6 211 . 1 1 120 120 ARG H H 1 7.924 0.000 . . . . . . 120 ARG H . 6732 6 212 . 1 1 120 120 ARG N N 15 122.541 0.000 . . . . . . 120 ARG N . 6732 6 213 . 1 1 121 121 LYS H H 1 8.472 0.000 . . . . . . 121 LYS H . 6732 6 214 . 1 1 121 121 LYS N N 15 122.042 0.000 . . . . . . 121 LYS N . 6732 6 215 . 1 1 122 122 LEU H H 1 7.978 0.000 . . . . . . 122 LEU H . 6732 6 216 . 1 1 122 122 LEU N N 15 123.840 0.000 . . . . . . 122 LEU N . 6732 6 217 . 1 1 124 124 ALA H H 1 7.455 0.000 . . . . . . 124 ALA H . 6732 6 218 . 1 1 124 124 ALA N N 15 119.044 0.000 . . . . . . 124 ALA N . 6732 6 219 . 1 1 125 125 TRP H H 1 7.661 0.000 . . . . . . 125 TRP H . 6732 6 220 . 1 1 125 125 TRP HE1 H 1 9.823 0.000 . . . . . . 125 TRP HE1 . 6732 6 221 . 1 1 125 125 TRP N N 15 116.224 0.000 . . . . . . 125 TRP N . 6732 6 222 . 1 1 125 125 TRP NE1 N 15 130.160 0.000 . . . . . . 125 TRP NE1 . 6732 6 223 . 1 1 126 126 VAL H H 1 7.303 0.000 . . . . . . 126 VAL H . 6732 6 224 . 1 1 126 126 VAL N N 15 118.148 0.000 . . . . . . 126 VAL N . 6732 6 225 . 1 1 127 127 CYS H H 1 9.216 0.000 . . . . . . 127 CYS H . 6732 6 226 . 1 1 127 127 CYS N N 15 123.113 0.000 . . . . . . 127 CYS N . 6732 6 227 . 1 1 128 128 ASP H H 1 10.277 0.000 . . . . . . 128 ASP H . 6732 6 228 . 1 1 128 128 ASP N N 15 120.328 0.000 . . . . . . 128 ASP N . 6732 6 229 . 1 1 129 129 ARG H H 1 8.000 0.000 . . . . . . 129 ARG H . 6732 6 230 . 1 1 129 129 ARG N N 15 110.649 0.000 . . . . . . 129 ARG N . 6732 6 231 . 1 1 130 130 LEU H H 1 8.580 0.000 . . . . . . 130 LEU H . 6732 6 232 . 1 1 130 130 LEU N N 15 121.357 0.000 . . . . . . 130 LEU N . 6732 6 233 . 1 1 131 131 ALA H H 1 8.263 0.000 . . . . . . 131 ALA H . 6732 6 234 . 1 1 131 131 ALA N N 15 124.718 0.000 . . . . . . 131 ALA N . 6732 6 235 . 1 1 132 132 THR H H 1 8.705 0.000 . . . . . . 132 THR H . 6732 6 236 . 1 1 132 132 THR N N 15 114.567 0.000 . . . . . . 132 THR N . 6732 6 237 . 1 1 133 133 CYS H H 1 9.221 0.000 . . . . . . 133 CYS H . 6732 6 238 . 1 1 133 133 CYS N N 15 125.258 0.000 . . . . . . 133 CYS N . 6732 6 239 . 1 1 137 137 ALA H H 1 7.847 0.000 . . . . . . 137 ALA H . 6732 6 240 . 1 1 137 137 ALA N N 15 129.580 0.000 . . . . . . 137 ALA N . 6732 6 241 . 1 1 139 139 GLU H H 1 7.979 0.000 . . . . . . 139 GLU H . 6732 6 242 . 1 1 139 139 GLU N N 15 127.488 0.000 . . . . . . 139 GLU N . 6732 6 243 . 1 1 140 140 GLY H H 1 7.983 0.000 . . . . . . 140 GLY H . 6732 6 244 . 1 1 140 140 GLY N N 15 115.987 0.000 . . . . . . 140 GLY N . 6732 6 245 . 1 1 141 141 SER H H 1 7.862 0.000 . . . . . . 141 SER H . 6732 6 246 . 1 1 141 141 SER N N 15 121.292 0.000 . . . . . . 141 SER N . 6732 6 247 . 1 1 143 143 GLU H H 1 7.911 0.000 . . . . . . 143 GLU H . 6732 6 248 . 1 1 143 143 GLU N N 15 125.138 0.000 . . . . . . 143 GLU N . 6732 6 stop_ save_