data_27095 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27095 _Entry.Title ; Backbone and side chain chemical shift assignments of apo calmodulin bound to the NaV1.2 IQ motif peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-04 _Entry.Accession_date 2017-05-04 _Entry.Last_release_date 2017-05-08 _Entry.Original_release_date 2017-05-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Ryan Mahling . . . . 27095 2 Adina Kilpatrick . M. . . 27095 3 Madeline Shea . A. . . 27095 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 27095 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 800 27095 '15N chemical shifts' 187 27095 '1H chemical shifts' 1128 27095 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2017-10-05 2017-05-04 update author 'update assignments' 27095 2 . . 2017-09-29 2017-05-04 update author 'update entry citation' 27095 1 . . 2017-09-11 2017-05-04 original author 'original release' 27095 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI AAD45181.1 'GenBank entry for calmodulin' 27095 NCBI NP_001035232.1 'NCBI reference sequence for NaV1.2' 27095 PDB 1CFC 'Solution Structure of apo Calmodulin' 27095 PDB 2KXW 'Structure of the C-domain Fragment of apo Calmodulin Bound to the IQ motif of Nav1.2' 27095 PDB 2L53 'Solution NMR Structure of apo-calmodulin in complex with the IQ motif of Human Cardiac Sodium Channel NaV1.5' 27095 PDB 2M5E 'Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2' 27095 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27095 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 28823028 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments of complexes of human voltage-dependent sodium channel NaV1.2 IQ motif peptide bound to apo calmodulin and to the C-domain fragment of apo calmodulin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _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 297 _Citation.Page_last 303 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ryan Mahling . . . . 27095 1 2 Adina Kilpatrick . M. . . 27095 1 3 Madeline Shea . A. . . 27095 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27095 _Assembly.ID 1 _Assembly.Name 'CaM NaV1.2 IQ motif' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Calmodulin, major conformer' 1 $Calmodulin A . yes native no no . Protein . 27095 1 2 'Calmodulin, minor conformer' 1 $Calmodulin A . yes native no no . Protein . 27095 1 3 'NaV1.2 IQ motif peptide, major conformer' 2 $Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide B . yes native no no . 'bound peptide' . 27095 1 4 'NaV1.2 IQ motif peptide, minor conformer' 2 $Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide B . yes native no no . 'bound peptide' . 27095 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1CFC . . 'solution NMR' . 'Solution structure of apo calmodulin' . 27095 1 yes PDB 2KXW . . 'solution NMR' . 'Structure of the C-domain Fragment of apo Calmodulin Bound to the IQ motif of Nav1.2' . 27095 1 yes PDB 2L53 . . 'solid-state NMR' . ', Solution NMR Structure of apo-calmodulin in complex with the IQ motif of Human Cardiac Sodium Channel NaV1.5' . 27095 1 yes PDB 2M5E . . 'solution NMR' . 'Structure of the C-domain of Calcium-saturated Calmodulin bound to the IQ motif of NaV1.2' . 27095 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin _Entity.Entry_ID 27095 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Calmodulin _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 ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 1-148' _Entity.Polymer_author_seq_details 'Initial alanine is residue 1.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 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 yes NCBI AAD45181.1 . calmodulin . . . . . . . . . . . . . . 27095 1 2 yes UNP P0DP23 . calmodulin . . . . . . . . . . . . . . 27095 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Calcium sensor' 27095 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 . ALA . 27095 1 2 . ASP . 27095 1 3 . GLN . 27095 1 4 . LEU . 27095 1 5 . THR . 27095 1 6 . GLU . 27095 1 7 . GLU . 27095 1 8 . GLN . 27095 1 9 . ILE . 27095 1 10 . ALA . 27095 1 11 . GLU . 27095 1 12 . PHE . 27095 1 13 . LYS . 27095 1 14 . GLU . 27095 1 15 . ALA . 27095 1 16 . PHE . 27095 1 17 . SER . 27095 1 18 . LEU . 27095 1 19 . PHE . 27095 1 20 . ASP . 27095 1 21 . LYS . 27095 1 22 . ASP . 27095 1 23 . GLY . 27095 1 24 . ASP . 27095 1 25 . GLY . 27095 1 26 . THR . 27095 1 27 . ILE . 27095 1 28 . THR . 27095 1 29 . THR . 27095 1 30 . LYS . 27095 1 31 . GLU . 27095 1 32 . LEU . 27095 1 33 . GLY . 27095 1 34 . THR . 27095 1 35 . VAL . 27095 1 36 . MET . 27095 1 37 . ARG . 27095 1 38 . SER . 27095 1 39 . LEU . 27095 1 40 . GLY . 27095 1 41 . GLN . 27095 1 42 . ASN . 27095 1 43 . PRO . 27095 1 44 . THR . 27095 1 45 . GLU . 27095 1 46 . ALA . 27095 1 47 . GLU . 27095 1 48 . LEU . 27095 1 49 . GLN . 27095 1 50 . ASP . 27095 1 51 . MET . 27095 1 52 . ILE . 27095 1 53 . ASN . 27095 1 54 . GLU . 27095 1 55 . VAL . 27095 1 56 . ASP . 27095 1 57 . ALA . 27095 1 58 . ASP . 27095 1 59 . GLY . 27095 1 60 . ASN . 27095 1 61 . GLY . 27095 1 62 . THR . 27095 1 63 . ILE . 27095 1 64 . ASP . 27095 1 65 . PHE . 27095 1 66 . PRO . 27095 1 67 . GLU . 27095 1 68 . PHE . 27095 1 69 . LEU . 27095 1 70 . THR . 27095 1 71 . MET . 27095 1 72 . MET . 27095 1 73 . ALA . 27095 1 74 . ARG . 27095 1 75 . LYS . 27095 1 76 . MET . 27095 1 77 . LYS . 27095 1 78 . ASP . 27095 1 79 . THR . 27095 1 80 . ASP . 27095 1 81 . SER . 27095 1 82 . GLU . 27095 1 83 . GLU . 27095 1 84 . GLU . 27095 1 85 . ILE . 27095 1 86 . ARG . 27095 1 87 . GLU . 27095 1 88 . ALA . 27095 1 89 . PHE . 27095 1 90 . ARG . 27095 1 91 . VAL . 27095 1 92 . PHE . 27095 1 93 . ASP . 27095 1 94 . LYS . 27095 1 95 . ASP . 27095 1 96 . GLY . 27095 1 97 . ASN . 27095 1 98 . GLY . 27095 1 99 . TYR . 27095 1 100 . ILE . 27095 1 101 . SER . 27095 1 102 . ALA . 27095 1 103 . ALA . 27095 1 104 . GLU . 27095 1 105 . LEU . 27095 1 106 . ARG . 27095 1 107 . HIS . 27095 1 108 . VAL . 27095 1 109 . MET . 27095 1 110 . THR . 27095 1 111 . ASN . 27095 1 112 . LEU . 27095 1 113 . GLY . 27095 1 114 . GLU . 27095 1 115 . LYS . 27095 1 116 . LEU . 27095 1 117 . THR . 27095 1 118 . ASP . 27095 1 119 . GLU . 27095 1 120 . GLU . 27095 1 121 . VAL . 27095 1 122 . ASP . 27095 1 123 . GLU . 27095 1 124 . MET . 27095 1 125 . ILE . 27095 1 126 . ARG . 27095 1 127 . GLU . 27095 1 128 . ALA . 27095 1 129 . ASP . 27095 1 130 . ILE . 27095 1 131 . ASP . 27095 1 132 . GLY . 27095 1 133 . ASP . 27095 1 134 . GLY . 27095 1 135 . GLN . 27095 1 136 . VAL . 27095 1 137 . ASN . 27095 1 138 . TYR . 27095 1 139 . GLU . 27095 1 140 . GLU . 27095 1 141 . PHE . 27095 1 142 . VAL . 27095 1 143 . GLN . 27095 1 144 . MET . 27095 1 145 . MET . 27095 1 146 . THR . 27095 1 147 . ALA . 27095 1 148 . LYS . 27095 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 . ALA 1 1 27095 1 . ASP 2 2 27095 1 . GLN 3 3 27095 1 . LEU 4 4 27095 1 . THR 5 5 27095 1 . GLU 6 6 27095 1 . GLU 7 7 27095 1 . GLN 8 8 27095 1 . ILE 9 9 27095 1 . ALA 10 10 27095 1 . GLU 11 11 27095 1 . PHE 12 12 27095 1 . LYS 13 13 27095 1 . GLU 14 14 27095 1 . ALA 15 15 27095 1 . PHE 16 16 27095 1 . SER 17 17 27095 1 . LEU 18 18 27095 1 . PHE 19 19 27095 1 . ASP 20 20 27095 1 . LYS 21 21 27095 1 . ASP 22 22 27095 1 . GLY 23 23 27095 1 . ASP 24 24 27095 1 . GLY 25 25 27095 1 . THR 26 26 27095 1 . ILE 27 27 27095 1 . THR 28 28 27095 1 . THR 29 29 27095 1 . LYS 30 30 27095 1 . GLU 31 31 27095 1 . LEU 32 32 27095 1 . GLY 33 33 27095 1 . THR 34 34 27095 1 . VAL 35 35 27095 1 . MET 36 36 27095 1 . ARG 37 37 27095 1 . SER 38 38 27095 1 . LEU 39 39 27095 1 . GLY 40 40 27095 1 . GLN 41 41 27095 1 . ASN 42 42 27095 1 . PRO 43 43 27095 1 . THR 44 44 27095 1 . GLU 45 45 27095 1 . ALA 46 46 27095 1 . GLU 47 47 27095 1 . LEU 48 48 27095 1 . GLN 49 49 27095 1 . ASP 50 50 27095 1 . MET 51 51 27095 1 . ILE 52 52 27095 1 . ASN 53 53 27095 1 . GLU 54 54 27095 1 . VAL 55 55 27095 1 . ASP 56 56 27095 1 . ALA 57 57 27095 1 . ASP 58 58 27095 1 . GLY 59 59 27095 1 . ASN 60 60 27095 1 . GLY 61 61 27095 1 . THR 62 62 27095 1 . ILE 63 63 27095 1 . ASP 64 64 27095 1 . PHE 65 65 27095 1 . PRO 66 66 27095 1 . GLU 67 67 27095 1 . PHE 68 68 27095 1 . LEU 69 69 27095 1 . THR 70 70 27095 1 . MET 71 71 27095 1 . MET 72 72 27095 1 . ALA 73 73 27095 1 . ARG 74 74 27095 1 . LYS 75 75 27095 1 . MET 76 76 27095 1 . LYS 77 77 27095 1 . ASP 78 78 27095 1 . THR 79 79 27095 1 . ASP 80 80 27095 1 . SER 81 81 27095 1 . GLU 82 82 27095 1 . GLU 83 83 27095 1 . GLU 84 84 27095 1 . ILE 85 85 27095 1 . ARG 86 86 27095 1 . GLU 87 87 27095 1 . ALA 88 88 27095 1 . PHE 89 89 27095 1 . ARG 90 90 27095 1 . VAL 91 91 27095 1 . PHE 92 92 27095 1 . ASP 93 93 27095 1 . LYS 94 94 27095 1 . ASP 95 95 27095 1 . GLY 96 96 27095 1 . ASN 97 97 27095 1 . GLY 98 98 27095 1 . TYR 99 99 27095 1 . ILE 100 100 27095 1 . SER 101 101 27095 1 . ALA 102 102 27095 1 . ALA 103 103 27095 1 . GLU 104 104 27095 1 . LEU 105 105 27095 1 . ARG 106 106 27095 1 . HIS 107 107 27095 1 . VAL 108 108 27095 1 . MET 109 109 27095 1 . THR 110 110 27095 1 . ASN 111 111 27095 1 . LEU 112 112 27095 1 . GLY 113 113 27095 1 . GLU 114 114 27095 1 . LYS 115 115 27095 1 . LEU 116 116 27095 1 . THR 117 117 27095 1 . ASP 118 118 27095 1 . GLU 119 119 27095 1 . GLU 120 120 27095 1 . VAL 121 121 27095 1 . ASP 122 122 27095 1 . GLU 123 123 27095 1 . MET 124 124 27095 1 . ILE 125 125 27095 1 . ARG 126 126 27095 1 . GLU 127 127 27095 1 . ALA 128 128 27095 1 . ASP 129 129 27095 1 . ILE 130 130 27095 1 . ASP 131 131 27095 1 . GLY 132 132 27095 1 . ASP 133 133 27095 1 . GLY 134 134 27095 1 . GLN 135 135 27095 1 . VAL 136 136 27095 1 . ASN 137 137 27095 1 . TYR 138 138 27095 1 . GLU 139 139 27095 1 . GLU 140 140 27095 1 . PHE 141 141 27095 1 . VAL 142 142 27095 1 . GLN 143 143 27095 1 . MET 144 144 27095 1 . MET 145 145 27095 1 . THR 146 146 27095 1 . ALA 147 147 27095 1 . LYS 148 148 27095 1 stop_ save_ save_Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide _Entity.Sf_category entity _Entity.Sf_framecode Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide _Entity.Entry_ID 27095 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide _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 ; GPGSKRKQEEVSAIIIQRAY RRYLLKQKVKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; Residue 1901-1927 of NaV1.2. The first four residues (GPGS) are part of a 3C protease cleave site and have been numbered -4 to -1. ; _Entity.Polymer_author_seq_details ; First four residues (GPGS) are part of a 3C protease cleavage site (numbered -4 to -1). NaV1.2 residue 1901 is residue 5 of the peptide. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 . 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 yes NCBI NP_001035232.1 . 'Voltage-gated sodium channel 1.2' . . . . . . . . . . . . . . 27095 2 2 yes UNP Q99250 . 'Voltage-gated sodium channel 1.2' . . . . . . . . . . . . . . 27095 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Sodium channel' 27095 2 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 -4 GLY . 27095 2 2 -3 PRO . 27095 2 3 -2 GLY . 27095 2 4 -1 SER . 27095 2 5 1901 LYS . 27095 2 6 1902 ARG . 27095 2 7 1903 LYS . 27095 2 8 1904 GLN . 27095 2 9 1905 GLU . 27095 2 10 1906 GLU . 27095 2 11 1907 VAL . 27095 2 12 1908 SER . 27095 2 13 1909 ALA . 27095 2 14 1910 ILE . 27095 2 15 1911 ILE . 27095 2 16 1912 ILE . 27095 2 17 1913 GLN . 27095 2 18 1914 ARG . 27095 2 19 1915 ALA . 27095 2 20 1916 TYR . 27095 2 21 1917 ARG . 27095 2 22 1918 ARG . 27095 2 23 1919 TYR . 27095 2 24 1920 LEU . 27095 2 25 1921 LEU . 27095 2 26 1922 LYS . 27095 2 27 1923 GLN . 27095 2 28 1924 LYS . 27095 2 29 1925 VAL . 27095 2 30 1926 LYS . 27095 2 31 1927 LYS . 27095 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27095 2 . PRO 2 2 27095 2 . GLY 3 3 27095 2 . SER 4 4 27095 2 . LYS 5 5 27095 2 . ARG 6 6 27095 2 . LYS 7 7 27095 2 . GLN 8 8 27095 2 . GLU 9 9 27095 2 . GLU 10 10 27095 2 . VAL 11 11 27095 2 . SER 12 12 27095 2 . ALA 13 13 27095 2 . ILE 14 14 27095 2 . ILE 15 15 27095 2 . ILE 16 16 27095 2 . GLN 17 17 27095 2 . ARG 18 18 27095 2 . ALA 19 19 27095 2 . TYR 20 20 27095 2 . ARG 21 21 27095 2 . ARG 22 22 27095 2 . TYR 23 23 27095 2 . LEU 24 24 27095 2 . LEU 25 25 27095 2 . LYS 26 26 27095 2 . GLN 27 27 27095 2 . LYS 28 28 27095 2 . VAL 29 29 27095 2 . LYS 30 30 27095 2 . LYS 31 31 27095 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27095 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Calmodulin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27095 1 2 2 $Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27095 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 27095 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Calmodulin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pT7-7 . . . 27095 1 2 2 $Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pBG101 . . . 27095 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27095 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Calmodulin '[U-99% 13C; U-99% 15N]' . . 1 $Calmodulin . . 0.95 . . mM . . . . 27095 1 2 'Voltage-gated sodium channel NaV1.2 IQ motif peptide' '[U-99% 13C; U-99% 15N]' . . 2 $Voltage-gated_sodium_channel_NaV1-2_IQ_motif_peptide . . 0.95 . . mM . . . . 27095 1 3 imidazole '[U-99% 2H]' . . . . . . 10 . . mM . . . . 27095 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27095 1 5 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 27095 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 27095 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27095 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 27095 1 pH 6.5 . pH 27095 1 pressure 1 . atm 27095 1 temperature 298 . K 27095 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27095 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version 2.1B _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27095 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27095 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27095 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(NMRpipe) Delaglio, Grzesiek, Vuister, Zhu, Pfeifer, and Bax' . . 27095 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27095 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27095 _Software.ID 3 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(Analysis) CCPN' . . 27095 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27095 3 . 'data analysis' 27095 3 . 'peak picking' 27095 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27095 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27095 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 27095 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27095 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27095 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27095 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27095 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27095 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27095 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 na indirect 0.25144953 . . . . . 27095 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 27095 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . 27095 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27095 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27095 1 2 '3D HNCACB' . . . 27095 1 3 '3D CBCA(CO)NH' . . . 27095 1 4 '3D HNCO' . . . 27095 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Analysis . . 27095 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 1 1 ALA C C 13 173.629 0.000 . 1 . . . . . 1 ALA C . 27095 1 2 . 1 . 1 1 1 ALA CA C 13 51.688 0.049 . 1 . . . . . 1 ALA CA . 27095 1 3 . 1 . 1 1 1 ALA CB C 13 19.458 0.082 . 1 . . . . . 1 ALA CB . 27095 1 4 . 1 . 1 1 1 ALA HA H 1 4.093 0.002 . 1 . . . . . 1 ALA HA . 27095 1 5 . 1 . 1 1 1 ALA HB1 H 1 1.515 0.003 . 1 . . . . . 1 ALA HB1 . 27095 1 6 . 1 . 1 1 1 ALA HB2 H 1 1.515 0.003 . 1 . . . . . 1 ALA HB2 . 27095 1 7 . 1 . 1 1 1 ALA HB3 H 1 1.515 0.003 . 1 . . . . . 1 ALA HB3 . 27095 1 8 . 1 . 1 2 2 ASP C C 13 175.495 0.018 . 1 . . . . . 2 ASP C . 27095 1 9 . 1 . 1 2 2 ASP CA C 13 54.728 0.064 . 1 . . . . . 2 ASP CA . 27095 1 10 . 1 . 1 2 2 ASP CB C 13 41.351 0.041 . 1 . . . . . 2 ASP CB . 27095 1 11 . 1 . 1 2 2 ASP HA H 1 4.599 0.002 . 1 . . . . . 2 ASP HA . 27095 1 12 . 1 . 1 2 2 ASP HB2 H 1 2.567 0.003 . 2 . . . . . 2 ASP HB2 . 27095 1 13 . 1 . 1 2 2 ASP HB3 H 1 2.674 0.005 . 2 . . . . . 2 ASP HB3 . 27095 1 14 . 1 . 1 3 3 GLN C C 13 175.641 0.016 . 1 . . . . . 3 GLN C . 27095 1 15 . 1 . 1 3 3 GLN CA C 13 55.334 0.082 . 1 . . . . . 3 GLN CA . 27095 1 16 . 1 . 1 3 3 GLN CB C 13 30.262 0.092 . 1 . . . . . 3 GLN CB . 27095 1 17 . 1 . 1 3 3 GLN CG C 13 33.636 0.054 . 1 . . . . . 3 GLN CG . 27095 1 18 . 1 . 1 3 3 GLN H H 1 8.196 0.002 . 1 . . . . . 3 GLN H . 27095 1 19 . 1 . 1 3 3 GLN HA H 1 4.372 0.004 . 1 . . . . . 3 GLN HA . 27095 1 20 . 1 . 1 3 3 GLN HB2 H 1 1.933 0.003 . 2 . . . . . 3 GLN HB2 . 27095 1 21 . 1 . 1 3 3 GLN HB3 H 1 2.080 0.003 . 2 . . . . . 3 GLN HB3 . 27095 1 22 . 1 . 1 3 3 GLN HE21 H 1 6.846 0.002 . 1 . . . . . 3 GLN HE21 . 27095 1 23 . 1 . 1 3 3 GLN HE22 H 1 7.547 0.002 . 1 . . . . . 3 GLN HE22 . 27095 1 24 . 1 . 1 3 3 GLN HG2 H 1 2.314 0.004 . 1 . . . . . 3 GLN HG2 . 27095 1 25 . 1 . 1 3 3 GLN N N 15 118.609 0.008 . 1 . . . . . 3 GLN N . 27095 1 26 . 1 . 1 3 3 GLN NE2 N 15 112.559 0.060 . 1 . . . . . 3 GLN NE2 . 27095 1 27 . 1 . 1 4 4 LEU C C 13 177.537 0.000 . 1 . . . . . 4 LEU C . 27095 1 28 . 1 . 1 4 4 LEU CA C 13 54.258 0.056 . 1 . . . . . 4 LEU CA . 27095 1 29 . 1 . 1 4 4 LEU CB C 13 43.444 0.035 . 1 . . . . . 4 LEU CB . 27095 1 30 . 1 . 1 4 4 LEU CD1 C 13 23.741 0.015 . 2 . . . . . 4 LEU CD1 . 27095 1 31 . 1 . 1 4 4 LEU CD2 C 13 27.146 0.028 . 2 . . . . . 4 LEU CD2 . 27095 1 32 . 1 . 1 4 4 LEU CG C 13 27.197 0.030 . 1 . . . . . 4 LEU CG . 27095 1 33 . 1 . 1 4 4 LEU H H 1 8.289 0.001 . 1 . . . . . 4 LEU H . 27095 1 34 . 1 . 1 4 4 LEU HA H 1 4.585 0.003 . 1 . . . . . 4 LEU HA . 27095 1 35 . 1 . 1 4 4 LEU HB2 H 1 1.364 0.006 . 2 . . . . . 4 LEU HB2 . 27095 1 36 . 1 . 1 4 4 LEU HB3 H 1 1.682 0.005 . 2 . . . . . 4 LEU HB3 . 27095 1 37 . 1 . 1 4 4 LEU HD11 H 1 0.847 0.003 . 2 . . . . . 4 LEU HD11 . 27095 1 38 . 1 . 1 4 4 LEU HD12 H 1 0.847 0.003 . 2 . . . . . 4 LEU HD12 . 27095 1 39 . 1 . 1 4 4 LEU HD13 H 1 0.847 0.003 . 2 . . . . . 4 LEU HD13 . 27095 1 40 . 1 . 1 4 4 LEU HD21 H 1 0.887 0.004 . 2 . . . . . 4 LEU HD21 . 27095 1 41 . 1 . 1 4 4 LEU HD22 H 1 0.887 0.004 . 2 . . . . . 4 LEU HD22 . 27095 1 42 . 1 . 1 4 4 LEU HD23 H 1 0.887 0.004 . 2 . . . . . 4 LEU HD23 . 27095 1 43 . 1 . 1 4 4 LEU HG H 1 1.672 0.002 . 1 . . . . . 4 LEU HG . 27095 1 44 . 1 . 1 4 4 LEU N N 15 122.031 0.009 . 1 . . . . . 4 LEU N . 27095 1 45 . 1 . 1 5 5 THR C C 13 175.336 0.041 . 1 . . . . . 5 THR C . 27095 1 46 . 1 . 1 5 5 THR CA C 13 60.363 0.076 . 1 . . . . . 5 THR CA . 27095 1 47 . 1 . 1 5 5 THR CB C 13 71.100 0.084 . 1 . . . . . 5 THR CB . 27095 1 48 . 1 . 1 5 5 THR CG2 C 13 21.801 0.038 . 1 . . . . . 5 THR CG2 . 27095 1 49 . 1 . 1 5 5 THR H H 1 8.750 0.002 . 1 . . . . . 5 THR H . 27095 1 50 . 1 . 1 5 5 THR HA H 1 4.423 0.007 . 1 . . . . . 5 THR HA . 27095 1 51 . 1 . 1 5 5 THR HB H 1 4.746 0.011 . 1 . . . . . 5 THR HB . 27095 1 52 . 1 . 1 5 5 THR HG21 H 1 1.303 0.003 . 1 . . . . . 5 THR HG21 . 27095 1 53 . 1 . 1 5 5 THR HG22 H 1 1.303 0.003 . 1 . . . . . 5 THR HG22 . 27095 1 54 . 1 . 1 5 5 THR HG23 H 1 1.303 0.003 . 1 . . . . . 5 THR HG23 . 27095 1 55 . 1 . 1 5 5 THR N N 15 113.046 0.032 . 1 . . . . . 5 THR N . 27095 1 56 . 1 . 1 6 6 GLU C C 13 179.427 0.021 . 1 . . . . . 6 GLU C . 27095 1 57 . 1 . 1 6 6 GLU CA C 13 59.998 0.077 . 1 . . . . . 6 GLU CA . 27095 1 58 . 1 . 1 6 6 GLU CB C 13 29.180 0.075 . 1 . . . . . 6 GLU CB . 27095 1 59 . 1 . 1 6 6 GLU CG C 13 36.562 0.054 . 1 . . . . . 6 GLU CG . 27095 1 60 . 1 . 1 6 6 GLU H H 1 9.019 0.002 . 1 . . . . . 6 GLU H . 27095 1 61 . 1 . 1 6 6 GLU HA H 1 3.919 0.004 . 1 . . . . . 6 GLU HA . 27095 1 62 . 1 . 1 6 6 GLU HB2 H 1 2.024 0.004 . 1 . . . . . 6 GLU HB2 . 27095 1 63 . 1 . 1 6 6 GLU HG2 H 1 2.310 0.008 . 2 . . . . . 6 GLU HG2 . 27095 1 64 . 1 . 1 6 6 GLU HG3 H 1 2.378 0.008 . 2 . . . . . 6 GLU HG3 . 27095 1 65 . 1 . 1 6 6 GLU N N 15 120.378 0.011 . 1 . . . . . 6 GLU N . 27095 1 66 . 1 . 1 7 7 GLU C C 13 179.224 0.026 . 1 . . . . . 7 GLU C . 27095 1 67 . 1 . 1 7 7 GLU CA C 13 60.135 0.073 . 1 . . . . . 7 GLU CA . 27095 1 68 . 1 . 1 7 7 GLU CB C 13 28.996 0.068 . 1 . . . . . 7 GLU CB . 27095 1 69 . 1 . 1 7 7 GLU CG C 13 37.058 0.040 . 1 . . . . . 7 GLU CG . 27095 1 70 . 1 . 1 7 7 GLU H H 1 8.728 0.002 . 1 . . . . . 7 GLU H . 27095 1 71 . 1 . 1 7 7 GLU HA H 1 4.016 0.005 . 1 . . . . . 7 GLU HA . 27095 1 72 . 1 . 1 7 7 GLU HB2 H 1 1.890 0.002 . 2 . . . . . 7 GLU HB2 . 27095 1 73 . 1 . 1 7 7 GLU HB3 H 1 2.023 0.000 . 2 . . . . . 7 GLU HB3 . 27095 1 74 . 1 . 1 7 7 GLU HG2 H 1 2.250 0.004 . 2 . . . . . 7 GLU HG2 . 27095 1 75 . 1 . 1 7 7 GLU HG3 H 1 2.357 0.007 . 2 . . . . . 7 GLU HG3 . 27095 1 76 . 1 . 1 7 7 GLU N N 15 119.459 0.007 . 1 . . . . . 7 GLU N . 27095 1 77 . 1 . 1 8 8 GLN C C 13 177.526 0.034 . 1 . . . . . 8 GLN C . 27095 1 78 . 1 . 1 8 8 GLN CA C 13 58.611 0.089 . 1 . . . . . 8 GLN CA . 27095 1 79 . 1 . 1 8 8 GLN CB C 13 29.129 0.067 . 1 . . . . . 8 GLN CB . 27095 1 80 . 1 . 1 8 8 GLN CG C 13 34.870 0.041 . 1 . . . . . 8 GLN CG . 27095 1 81 . 1 . 1 8 8 GLN H H 1 7.716 0.002 . 1 . . . . . 8 GLN H . 27095 1 82 . 1 . 1 8 8 GLN HA H 1 3.758 0.003 . 1 . . . . . 8 GLN HA . 27095 1 83 . 1 . 1 8 8 GLN HB2 H 1 1.339 0.005 . 2 . . . . . 8 GLN HB2 . 27095 1 84 . 1 . 1 8 8 GLN HB3 H 1 2.220 0.007 . 2 . . . . . 8 GLN HB3 . 27095 1 85 . 1 . 1 8 8 GLN HE21 H 1 6.693 0.001 . 1 . . . . . 8 GLN HE21 . 27095 1 86 . 1 . 1 8 8 GLN HE22 H 1 7.604 0.002 . 1 . . . . . 8 GLN HE22 . 27095 1 87 . 1 . 1 8 8 GLN HG2 H 1 2.186 0.006 . 2 . . . . . 8 GLN HG2 . 27095 1 88 . 1 . 1 8 8 GLN HG3 H 1 2.282 0.009 . 2 . . . . . 8 GLN HG3 . 27095 1 89 . 1 . 1 8 8 GLN N N 15 120.674 0.020 . 1 . . . . . 8 GLN N . 27095 1 90 . 1 . 1 8 8 GLN NE2 N 15 111.225 0.001 . 1 . . . . . 8 GLN NE2 . 27095 1 91 . 1 . 1 9 9 ILE C C 13 177.635 0.022 . 1 . . . . . 9 ILE C . 27095 1 92 . 1 . 1 9 9 ILE CA C 13 66.709 0.072 . 1 . . . . . 9 ILE CA . 27095 1 93 . 1 . 1 9 9 ILE CB C 13 38.160 0.064 . 1 . . . . . 9 ILE CB . 27095 1 94 . 1 . 1 9 9 ILE CD1 C 13 13.301 0.070 . 1 . . . . . 9 ILE CD1 . 27095 1 95 . 1 . 1 9 9 ILE CG1 C 13 30.462 0.085 . 1 . . . . . 9 ILE CG1 . 27095 1 96 . 1 . 1 9 9 ILE CG2 C 13 17.281 0.040 . 1 . . . . . 9 ILE CG2 . 27095 1 97 . 1 . 1 9 9 ILE H H 1 8.222 0.003 . 1 . . . . . 9 ILE H . 27095 1 98 . 1 . 1 9 9 ILE HA H 1 3.412 0.005 . 1 . . . . . 9 ILE HA . 27095 1 99 . 1 . 1 9 9 ILE HB H 1 1.808 0.003 . 1 . . . . . 9 ILE HB . 27095 1 100 . 1 . 1 9 9 ILE HD11 H 1 0.780 0.003 . 1 . . . . . 9 ILE HD11 . 27095 1 101 . 1 . 1 9 9 ILE HD12 H 1 0.780 0.003 . 1 . . . . . 9 ILE HD12 . 27095 1 102 . 1 . 1 9 9 ILE HD13 H 1 0.780 0.003 . 1 . . . . . 9 ILE HD13 . 27095 1 103 . 1 . 1 9 9 ILE HG12 H 1 0.927 0.012 . 2 . . . . . 9 ILE HG12 . 27095 1 104 . 1 . 1 9 9 ILE HG13 H 1 1.750 0.001 . 2 . . . . . 9 ILE HG13 . 27095 1 105 . 1 . 1 9 9 ILE HG21 H 1 1.099 0.003 . 1 . . . . . 9 ILE HG21 . 27095 1 106 . 1 . 1 9 9 ILE HG22 H 1 1.099 0.003 . 1 . . . . . 9 ILE HG22 . 27095 1 107 . 1 . 1 9 9 ILE HG23 H 1 1.099 0.003 . 1 . . . . . 9 ILE HG23 . 27095 1 108 . 1 . 1 9 9 ILE N N 15 118.607 0.029 . 1 . . . . . 9 ILE N . 27095 1 109 . 1 . 1 10 10 ALA C C 13 180.708 0.014 . 1 . . . . . 10 ALA C . 27095 1 110 . 1 . 1 10 10 ALA CA C 13 55.322 0.068 . 1 . . . . . 10 ALA CA . 27095 1 111 . 1 . 1 10 10 ALA CB C 13 17.936 0.066 . 1 . . . . . 10 ALA CB . 27095 1 112 . 1 . 1 10 10 ALA H H 1 7.908 0.003 . 1 . . . . . 10 ALA H . 27095 1 113 . 1 . 1 10 10 ALA HA H 1 4.134 0.005 . 1 . . . . . 10 ALA HA . 27095 1 114 . 1 . 1 10 10 ALA HB1 H 1 1.481 0.004 . 1 . . . . . 10 ALA HB1 . 27095 1 115 . 1 . 1 10 10 ALA HB2 H 1 1.481 0.004 . 1 . . . . . 10 ALA HB2 . 27095 1 116 . 1 . 1 10 10 ALA HB3 H 1 1.481 0.004 . 1 . . . . . 10 ALA HB3 . 27095 1 117 . 1 . 1 10 10 ALA N N 15 120.522 0.036 . 1 . . . . . 10 ALA N . 27095 1 118 . 1 . 1 11 11 GLU C C 13 180.212 0.016 . 1 . . . . . 11 GLU C . 27095 1 119 . 1 . 1 11 11 GLU CA C 13 59.464 0.063 . 1 . . . . . 11 GLU CA . 27095 1 120 . 1 . 1 11 11 GLU CB C 13 29.360 0.082 . 1 . . . . . 11 GLU CB . 27095 1 121 . 1 . 1 11 11 GLU CG C 13 36.139 0.016 . 1 . . . . . 11 GLU CG . 27095 1 122 . 1 . 1 11 11 GLU H H 1 7.778 0.002 . 1 . . . . . 11 GLU H . 27095 1 123 . 1 . 1 11 11 GLU HA H 1 4.114 0.006 . 1 . . . . . 11 GLU HA . 27095 1 124 . 1 . 1 11 11 GLU HB2 H 1 2.074 0.013 . 1 . . . . . 11 GLU HB2 . 27095 1 125 . 1 . 1 11 11 GLU HG2 H 1 2.191 0.003 . 2 . . . . . 11 GLU HG2 . 27095 1 126 . 1 . 1 11 11 GLU HG3 H 1 2.433 0.001 . 2 . . . . . 11 GLU HG3 . 27095 1 127 . 1 . 1 11 11 GLU N N 15 120.344 0.011 . 1 . . . . . 11 GLU N . 27095 1 128 . 1 . 1 12 12 PHE C C 13 177.996 0.020 . 1 . . . . . 12 PHE C . 27095 1 129 . 1 . 1 12 12 PHE CA C 13 58.319 0.065 . 1 . . . . . 12 PHE CA . 27095 1 130 . 1 . 1 12 12 PHE CB C 13 36.942 0.059 . 1 . . . . . 12 PHE CB . 27095 1 131 . 1 . 1 12 12 PHE CD1 C 13 130.316 0.064 . 1 . . . . . 12 PHE CD1 . 27095 1 132 . 1 . 1 12 12 PHE CD2 C 13 130.316 0.064 . 1 . . . . . 12 PHE CD2 . 27095 1 133 . 1 . 1 12 12 PHE CE1 C 13 131.198 0.007 . 1 . . . . . 12 PHE CE1 . 27095 1 134 . 1 . 1 12 12 PHE CE2 C 13 131.198 0.007 . 1 . . . . . 12 PHE CE2 . 27095 1 135 . 1 . 1 12 12 PHE CZ C 13 129.422 0.150 . 1 . . . . . 12 PHE CZ . 27095 1 136 . 1 . 1 12 12 PHE H H 1 8.783 0.003 . 1 . . . . . 12 PHE H . 27095 1 137 . 1 . 1 12 12 PHE HA H 1 4.890 0.003 . 1 . . . . . 12 PHE HA . 27095 1 138 . 1 . 1 12 12 PHE HB2 H 1 3.474 0.007 . 2 . . . . . 12 PHE HB2 . 27095 1 139 . 1 . 1 12 12 PHE HB3 H 1 3.693 0.010 . 2 . . . . . 12 PHE HB3 . 27095 1 140 . 1 . 1 12 12 PHE HD1 H 1 7.099 0.004 . 1 . . . . . 12 PHE HD1 . 27095 1 141 . 1 . 1 12 12 PHE HD2 H 1 7.099 0.004 . 1 . . . . . 12 PHE HD2 . 27095 1 142 . 1 . 1 12 12 PHE HE1 H 1 7.262 0.002 . 1 . . . . . 12 PHE HE1 . 27095 1 143 . 1 . 1 12 12 PHE HE2 H 1 7.262 0.002 . 1 . . . . . 12 PHE HE2 . 27095 1 144 . 1 . 1 12 12 PHE HZ H 1 7.197 0.003 . 1 . . . . . 12 PHE HZ . 27095 1 145 . 1 . 1 12 12 PHE N N 15 120.437 0.038 . 1 . . . . . 12 PHE N . 27095 1 146 . 1 . 1 13 13 LYS C C 13 179.099 0.018 . 1 . . . . . 13 LYS C . 27095 1 147 . 1 . 1 13 13 LYS CA C 13 59.706 0.059 . 1 . . . . . 13 LYS CA . 27095 1 148 . 1 . 1 13 13 LYS CB C 13 32.026 0.070 . 1 . . . . . 13 LYS CB . 27095 1 149 . 1 . 1 13 13 LYS CD C 13 28.504 0.051 . 1 . . . . . 13 LYS CD . 27095 1 150 . 1 . 1 13 13 LYS CE C 13 41.734 0.044 . 1 . . . . . 13 LYS CE . 27095 1 151 . 1 . 1 13 13 LYS CG C 13 24.762 0.052 . 1 . . . . . 13 LYS CG . 27095 1 152 . 1 . 1 13 13 LYS H H 1 9.228 0.002 . 1 . . . . . 13 LYS H . 27095 1 153 . 1 . 1 13 13 LYS HA H 1 3.727 0.006 . 1 . . . . . 13 LYS HA . 27095 1 154 . 1 . 1 13 13 LYS HB2 H 1 1.782 0.004 . 2 . . . . . 13 LYS HB2 . 27095 1 155 . 1 . 1 13 13 LYS HB3 H 1 1.922 0.006 . 2 . . . . . 13 LYS HB3 . 27095 1 156 . 1 . 1 13 13 LYS HD2 H 1 1.161 0.006 . 2 . . . . . 13 LYS HD2 . 27095 1 157 . 1 . 1 13 13 LYS HD3 H 1 1.259 0.006 . 2 . . . . . 13 LYS HD3 . 27095 1 158 . 1 . 1 13 13 LYS HE2 H 1 2.615 0.004 . 1 . . . . . 13 LYS HE2 . 27095 1 159 . 1 . 1 13 13 LYS HG2 H 1 0.730 0.003 . 2 . . . . . 13 LYS HG2 . 27095 1 160 . 1 . 1 13 13 LYS HG3 H 1 1.110 0.007 . 2 . . . . . 13 LYS HG3 . 27095 1 161 . 1 . 1 13 13 LYS N N 15 121.646 0.021 . 1 . . . . . 13 LYS N . 27095 1 162 . 1 . 1 14 14 GLU C C 13 178.778 0.000 . 1 . . . . . 14 GLU C . 27095 1 163 . 1 . 1 14 14 GLU CA C 13 59.494 0.086 . 1 . . . . . 14 GLU CA . 27095 1 164 . 1 . 1 14 14 GLU CB C 13 29.273 0.121 . 1 . . . . . 14 GLU CB . 27095 1 165 . 1 . 1 14 14 GLU CG C 13 35.980 0.000 . 1 . . . . . 14 GLU CG . 27095 1 166 . 1 . 1 14 14 GLU H H 1 8.062 0.003 . 1 . . . . . 14 GLU H . 27095 1 167 . 1 . 1 14 14 GLU HA H 1 4.018 0.007 . 1 . . . . . 14 GLU HA . 27095 1 168 . 1 . 1 14 14 GLU HB2 H 1 2.164 0.006 . 1 . . . . . 14 GLU HB2 . 27095 1 169 . 1 . 1 14 14 GLU HG2 H 1 2.349 0.000 . 1 . . . . . 14 GLU HG2 . 27095 1 170 . 1 . 1 14 14 GLU N N 15 120.618 0.043 . 1 . . . . . 14 GLU N . 27095 1 171 . 1 . 1 15 15 ALA C C 13 178.939 0.001 . 1 . . . . . 15 ALA C . 27095 1 172 . 1 . 1 15 15 ALA CA C 13 55.051 0.084 . 1 . . . . . 15 ALA CA . 27095 1 173 . 1 . 1 15 15 ALA CB C 13 19.282 0.058 . 1 . . . . . 15 ALA CB . 27095 1 174 . 1 . 1 15 15 ALA H H 1 7.645 0.003 . 1 . . . . . 15 ALA H . 27095 1 175 . 1 . 1 15 15 ALA HA H 1 4.297 0.007 . 1 . . . . . 15 ALA HA . 27095 1 176 . 1 . 1 15 15 ALA HB1 H 1 1.678 0.005 . 1 . . . . . 15 ALA HB1 . 27095 1 177 . 1 . 1 15 15 ALA HB2 H 1 1.678 0.005 . 1 . . . . . 15 ALA HB2 . 27095 1 178 . 1 . 1 15 15 ALA HB3 H 1 1.678 0.005 . 1 . . . . . 15 ALA HB3 . 27095 1 179 . 1 . 1 15 15 ALA N N 15 120.957 0.013 . 1 . . . . . 15 ALA N . 27095 1 180 . 1 . 1 16 16 PHE C C 13 177.402 0.013 . 1 . . . . . 16 PHE C . 27095 1 181 . 1 . 1 16 16 PHE CA C 13 61.850 0.049 . 1 . . . . . 16 PHE CA . 27095 1 182 . 1 . 1 16 16 PHE CB C 13 40.814 0.081 . 1 . . . . . 16 PHE CB . 27095 1 183 . 1 . 1 16 16 PHE CD1 C 13 132.259 0.032 . 1 . . . . . 16 PHE CD1 . 27095 1 184 . 1 . 1 16 16 PHE CD2 C 13 132.259 0.032 . 1 . . . . . 16 PHE CD2 . 27095 1 185 . 1 . 1 16 16 PHE CE1 C 13 131.392 0.012 . 1 . . . . . 16 PHE CE1 . 27095 1 186 . 1 . 1 16 16 PHE CE2 C 13 131.392 0.012 . 1 . . . . . 16 PHE CE2 . 27095 1 187 . 1 . 1 16 16 PHE CZ C 13 130.555 0.026 . 1 . . . . . 16 PHE CZ . 27095 1 188 . 1 . 1 16 16 PHE H H 1 8.520 0.002 . 1 . . . . . 16 PHE H . 27095 1 189 . 1 . 1 16 16 PHE HA H 1 3.734 0.003 . 1 . . . . . 16 PHE HA . 27095 1 190 . 1 . 1 16 16 PHE HB2 H 1 2.886 0.004 . 2 . . . . . 16 PHE HB2 . 27095 1 191 . 1 . 1 16 16 PHE HB3 H 1 3.176 0.004 . 2 . . . . . 16 PHE HB3 . 27095 1 192 . 1 . 1 16 16 PHE HD1 H 1 6.472 0.001 . 1 . . . . . 16 PHE HD1 . 27095 1 193 . 1 . 1 16 16 PHE HD2 H 1 6.472 0.001 . 1 . . . . . 16 PHE HD2 . 27095 1 194 . 1 . 1 16 16 PHE HE1 H 1 6.861 0.002 . 1 . . . . . 16 PHE HE1 . 27095 1 195 . 1 . 1 16 16 PHE HE2 H 1 6.861 0.002 . 1 . . . . . 16 PHE HE2 . 27095 1 196 . 1 . 1 16 16 PHE HZ H 1 7.387 0.004 . 1 . . . . . 16 PHE HZ . 27095 1 197 . 1 . 1 16 16 PHE N N 15 117.945 0.023 . 1 . . . . . 16 PHE N . 27095 1 198 . 1 . 1 17 17 SER C C 13 175.802 0.030 . 1 . . . . . 17 SER C . 27095 1 199 . 1 . 1 17 17 SER CA C 13 61.685 0.060 . 1 . . . . . 17 SER CA . 27095 1 200 . 1 . 1 17 17 SER CB C 13 63.169 0.047 . 1 . . . . . 17 SER CB . 27095 1 201 . 1 . 1 17 17 SER H H 1 8.417 0.003 . 1 . . . . . 17 SER H . 27095 1 202 . 1 . 1 17 17 SER HA H 1 4.240 0.006 . 1 . . . . . 17 SER HA . 27095 1 203 . 1 . 1 17 17 SER HB2 H 1 4.029 0.004 . 1 . . . . . 17 SER HB2 . 27095 1 204 . 1 . 1 17 17 SER N N 15 111.178 0.019 . 1 . . . . . 17 SER N . 27095 1 205 . 1 . 1 18 18 LEU C C 13 177.836 0.002 . 1 . . . . . 18 LEU C . 27095 1 206 . 1 . 1 18 18 LEU CA C 13 56.980 0.077 . 1 . . . . . 18 LEU CA . 27095 1 207 . 1 . 1 18 18 LEU CB C 13 41.690 0.037 . 1 . . . . . 18 LEU CB . 27095 1 208 . 1 . 1 18 18 LEU CD1 C 13 23.090 0.060 . 2 . . . . . 18 LEU CD1 . 27095 1 209 . 1 . 1 18 18 LEU CD2 C 13 24.763 0.034 . 2 . . . . . 18 LEU CD2 . 27095 1 210 . 1 . 1 18 18 LEU CG C 13 26.490 0.062 . 1 . . . . . 18 LEU CG . 27095 1 211 . 1 . 1 18 18 LEU H H 1 7.345 0.006 . 1 . . . . . 18 LEU H . 27095 1 212 . 1 . 1 18 18 LEU HA H 1 3.913 0.006 . 1 . . . . . 18 LEU HA . 27095 1 213 . 1 . 1 18 18 LEU HB2 H 1 1.093 0.004 . 2 . . . . . 18 LEU HB2 . 27095 1 214 . 1 . 1 18 18 LEU HB3 H 1 1.702 0.005 . 2 . . . . . 18 LEU HB3 . 27095 1 215 . 1 . 1 18 18 LEU HD11 H 1 0.739 0.005 . 2 . . . . . 18 LEU HD11 . 27095 1 216 . 1 . 1 18 18 LEU HD12 H 1 0.739 0.005 . 2 . . . . . 18 LEU HD12 . 27095 1 217 . 1 . 1 18 18 LEU HD13 H 1 0.739 0.005 . 2 . . . . . 18 LEU HD13 . 27095 1 218 . 1 . 1 18 18 LEU HD21 H 1 0.874 0.006 . 2 . . . . . 18 LEU HD21 . 27095 1 219 . 1 . 1 18 18 LEU HD22 H 1 0.874 0.006 . 2 . . . . . 18 LEU HD22 . 27095 1 220 . 1 . 1 18 18 LEU HD23 H 1 0.874 0.006 . 2 . . . . . 18 LEU HD23 . 27095 1 221 . 1 . 1 18 18 LEU HG H 1 1.632 0.005 . 1 . . . . . 18 LEU HG . 27095 1 222 . 1 . 1 18 18 LEU N N 15 121.275 0.024 . 1 . . . . . 18 LEU N . 27095 1 223 . 1 . 1 19 19 PHE C C 13 174.453 0.018 . 1 . . . . . 19 PHE C . 27095 1 224 . 1 . 1 19 19 PHE CA C 13 58.301 0.059 . 1 . . . . . 19 PHE CA . 27095 1 225 . 1 . 1 19 19 PHE CB C 13 39.765 0.057 . 1 . . . . . 19 PHE CB . 27095 1 226 . 1 . 1 19 19 PHE CD1 C 13 132.482 0.036 . 1 . . . . . 19 PHE CD1 . 27095 1 227 . 1 . 1 19 19 PHE CD2 C 13 132.482 0.036 . 1 . . . . . 19 PHE CD2 . 27095 1 228 . 1 . 1 19 19 PHE CE1 C 13 131.239 0.015 . 1 . . . . . 19 PHE CE1 . 27095 1 229 . 1 . 1 19 19 PHE CE2 C 13 131.239 0.015 . 1 . . . . . 19 PHE CE2 . 27095 1 230 . 1 . 1 19 19 PHE CZ C 13 129.704 0.037 . 1 . . . . . 19 PHE CZ . 27095 1 231 . 1 . 1 19 19 PHE H H 1 7.369 0.003 . 1 . . . . . 19 PHE H . 27095 1 232 . 1 . 1 19 19 PHE HA H 1 4.304 0.004 . 1 . . . . . 19 PHE HA . 27095 1 233 . 1 . 1 19 19 PHE HB2 H 1 2.389 0.003 . 2 . . . . . 19 PHE HB2 . 27095 1 234 . 1 . 1 19 19 PHE HB3 H 1 3.171 0.006 . 2 . . . . . 19 PHE HB3 . 27095 1 235 . 1 . 1 19 19 PHE HD1 H 1 7.280 0.005 . 1 . . . . . 19 PHE HD1 . 27095 1 236 . 1 . 1 19 19 PHE HD2 H 1 7.280 0.005 . 1 . . . . . 19 PHE HD2 . 27095 1 237 . 1 . 1 19 19 PHE HE1 H 1 7.283 0.004 . 1 . . . . . 19 PHE HE1 . 27095 1 238 . 1 . 1 19 19 PHE HE2 H 1 7.283 0.004 . 1 . . . . . 19 PHE HE2 . 27095 1 239 . 1 . 1 19 19 PHE HZ H 1 7.171 0.004 . 1 . . . . . 19 PHE HZ . 27095 1 240 . 1 . 1 19 19 PHE N N 15 114.829 0.056 . 1 . . . . . 19 PHE N . 27095 1 241 . 1 . 1 20 20 ASP C C 13 176.958 0.040 . 1 . . . . . 20 ASP C . 27095 1 242 . 1 . 1 20 20 ASP CA C 13 52.588 0.072 . 1 . . . . . 20 ASP CA . 27095 1 243 . 1 . 1 20 20 ASP CB C 13 39.962 0.079 . 1 . . . . . 20 ASP CB . 27095 1 244 . 1 . 1 20 20 ASP H H 1 7.300 0.004 . 1 . . . . . 20 ASP H . 27095 1 245 . 1 . 1 20 20 ASP HA H 1 4.959 0.004 . 1 . . . . . 20 ASP HA . 27095 1 246 . 1 . 1 20 20 ASP HB2 H 1 2.330 0.005 . 2 . . . . . 20 ASP HB2 . 27095 1 247 . 1 . 1 20 20 ASP HB3 H 1 2.823 0.006 . 2 . . . . . 20 ASP HB3 . 27095 1 248 . 1 . 1 20 20 ASP N N 15 122.617 0.071 . 1 . . . . . 20 ASP N . 27095 1 249 . 1 . 1 21 21 LYS C C 13 177.867 0.000 . 1 . . . . . 21 LYS C . 27095 1 250 . 1 . 1 21 21 LYS CA C 13 58.376 0.081 . 1 . . . . . 21 LYS CA . 27095 1 251 . 1 . 1 21 21 LYS CB C 13 32.507 0.091 . 1 . . . . . 21 LYS CB . 27095 1 252 . 1 . 1 21 21 LYS CD C 13 28.803 0.000 . 1 . . . . . 21 LYS CD . 27095 1 253 . 1 . 1 21 21 LYS CE C 13 42.001 0.000 . 1 . . . . . 21 LYS CE . 27095 1 254 . 1 . 1 21 21 LYS CG C 13 24.670 0.055 . 1 . . . . . 21 LYS CG . 27095 1 255 . 1 . 1 21 21 LYS H H 1 8.060 0.003 . 1 . . . . . 21 LYS H . 27095 1 256 . 1 . 1 21 21 LYS HA H 1 4.048 0.003 . 1 . . . . . 21 LYS HA . 27095 1 257 . 1 . 1 21 21 LYS HB2 H 1 1.813 0.002 . 1 . . . . . 21 LYS HB2 . 27095 1 258 . 1 . 1 21 21 LYS HD2 H 1 1.668 0.000 . 1 . . . . . 21 LYS HD2 . 27095 1 259 . 1 . 1 21 21 LYS HE2 H 1 2.984 0.000 . 1 . . . . . 21 LYS HE2 . 27095 1 260 . 1 . 1 21 21 LYS HG2 H 1 1.439 0.003 . 1 . . . . . 21 LYS HG2 . 27095 1 261 . 1 . 1 21 21 LYS N N 15 123.809 0.047 . 1 . . . . . 21 LYS N . 27095 1 262 . 1 . 1 22 22 ASP C C 13 176.808 0.012 . 1 . . . . . 22 ASP C . 27095 1 263 . 1 . 1 22 22 ASP CA C 13 54.465 0.034 . 1 . . . . . 22 ASP CA . 27095 1 264 . 1 . 1 22 22 ASP CB C 13 41.194 0.083 . 1 . . . . . 22 ASP CB . 27095 1 265 . 1 . 1 22 22 ASP H H 1 8.720 0.004 . 1 . . . . . 22 ASP H . 27095 1 266 . 1 . 1 22 22 ASP HA H 1 4.750 0.004 . 1 . . . . . 22 ASP HA . 27095 1 267 . 1 . 1 22 22 ASP HB2 H 1 2.604 0.004 . 2 . . . . . 22 ASP HB2 . 27095 1 268 . 1 . 1 22 22 ASP HB3 H 1 2.751 0.001 . 2 . . . . . 22 ASP HB3 . 27095 1 269 . 1 . 1 22 22 ASP N N 15 117.261 0.065 . 1 . . . . . 22 ASP N . 27095 1 270 . 1 . 1 23 23 GLY CA C 13 46.809 0.057 . 1 . . . . . 23 GLY CA . 27095 1 271 . 1 . 1 23 23 GLY H H 1 7.998 0.005 . 1 . . . . . 23 GLY H . 27095 1 272 . 1 . 1 23 23 GLY N N 15 110.414 0.014 . 1 . . . . . 23 GLY N . 27095 1 273 . 1 . 1 24 24 ASP C C 13 177.304 0.019 . 1 . . . . . 24 ASP C . 27095 1 274 . 1 . 1 24 24 ASP CA C 13 53.796 0.066 . 1 . . . . . 24 ASP CA . 27095 1 275 . 1 . 1 24 24 ASP CB C 13 41.393 0.026 . 1 . . . . . 24 ASP CB . 27095 1 276 . 1 . 1 24 24 ASP H H 1 8.753 0.006 . 1 . . . . . 24 ASP H . 27095 1 277 . 1 . 1 24 24 ASP HA H 1 4.687 0.002 . 1 . . . . . 24 ASP HA . 27095 1 278 . 1 . 1 24 24 ASP HB2 H 1 2.571 0.001 . 2 . . . . . 24 ASP HB2 . 27095 1 279 . 1 . 1 24 24 ASP HB3 H 1 2.893 0.008 . 2 . . . . . 24 ASP HB3 . 27095 1 280 . 1 . 1 24 24 ASP N N 15 120.847 0.041 . 1 . . . . . 24 ASP N . 27095 1 281 . 1 . 1 25 25 GLY CA C 13 45.860 0.058 . 1 . . . . . 25 GLY CA . 27095 1 282 . 1 . 1 25 25 GLY H H 1 10.172 0.002 . 1 . . . . . 25 GLY H . 27095 1 283 . 1 . 1 25 25 GLY HA2 H 1 3.865 0.007 . 2 . . . . . 25 GLY HA2 . 27095 1 284 . 1 . 1 25 25 GLY HA3 H 1 4.240 0.003 . 2 . . . . . 25 GLY HA3 . 27095 1 285 . 1 . 1 25 25 GLY N N 15 112.170 0.013 . 1 . . . . . 25 GLY N . 27095 1 286 . 1 . 1 26 26 THR C C 13 172.836 0.000 . 1 . . . . . 26 THR C . 27095 1 287 . 1 . 1 26 26 THR CA C 13 59.801 0.043 . 1 . . . . . 26 THR CA . 27095 1 288 . 1 . 1 26 26 THR CB C 13 73.119 0.020 . 1 . . . . . 26 THR CB . 27095 1 289 . 1 . 1 26 26 THR CG2 C 13 21.692 0.053 . 1 . . . . . 26 THR CG2 . 27095 1 290 . 1 . 1 26 26 THR H H 1 7.590 0.004 . 1 . . . . . 26 THR H . 27095 1 291 . 1 . 1 26 26 THR HA H 1 5.520 0.005 . 1 . . . . . 26 THR HA . 27095 1 292 . 1 . 1 26 26 THR HB H 1 4.036 0.009 . 1 . . . . . 26 THR HB . 27095 1 293 . 1 . 1 26 26 THR HG21 H 1 1.057 0.003 . 1 . . . . . 26 THR HG21 . 27095 1 294 . 1 . 1 26 26 THR HG22 H 1 1.057 0.003 . 1 . . . . . 26 THR HG22 . 27095 1 295 . 1 . 1 26 26 THR HG23 H 1 1.057 0.003 . 1 . . . . . 26 THR HG23 . 27095 1 296 . 1 . 1 26 26 THR N N 15 110.078 0.010 . 1 . . . . . 26 THR N . 27095 1 297 . 1 . 1 27 27 ILE C C 13 175.910 0.020 . 1 . . . . . 27 ILE C . 27095 1 298 . 1 . 1 27 27 ILE CA C 13 59.251 0.045 . 1 . . . . . 27 ILE CA . 27095 1 299 . 1 . 1 27 27 ILE CB C 13 41.543 0.041 . 1 . . . . . 27 ILE CB . 27095 1 300 . 1 . 1 27 27 ILE CD1 C 13 13.831 0.028 . 1 . . . . . 27 ILE CD1 . 27095 1 301 . 1 . 1 27 27 ILE CG1 C 13 24.870 0.034 . 1 . . . . . 27 ILE CG1 . 27095 1 302 . 1 . 1 27 27 ILE CG2 C 13 16.331 0.031 . 1 . . . . . 27 ILE CG2 . 27095 1 303 . 1 . 1 27 27 ILE HA H 1 4.762 0.005 . 1 . . . . . 27 ILE HA . 27095 1 304 . 1 . 1 27 27 ILE HB H 1 1.677 0.003 . 1 . . . . . 27 ILE HB . 27095 1 305 . 1 . 1 27 27 ILE HD11 H 1 0.295 0.003 . 1 . . . . . 27 ILE HD11 . 27095 1 306 . 1 . 1 27 27 ILE HD12 H 1 0.295 0.003 . 1 . . . . . 27 ILE HD12 . 27095 1 307 . 1 . 1 27 27 ILE HD13 H 1 0.295 0.003 . 1 . . . . . 27 ILE HD13 . 27095 1 308 . 1 . 1 27 27 ILE HG12 H 1 0.750 0.003 . 2 . . . . . 27 ILE HG12 . 27095 1 309 . 1 . 1 27 27 ILE HG13 H 1 1.045 0.003 . 2 . . . . . 27 ILE HG13 . 27095 1 310 . 1 . 1 27 27 ILE HG21 H 1 -0.142 0.003 . 1 . . . . . 27 ILE HG21 . 27095 1 311 . 1 . 1 27 27 ILE HG22 H 1 -0.142 0.003 . 1 . . . . . 27 ILE HG22 . 27095 1 312 . 1 . 1 27 27 ILE HG23 H 1 -0.142 0.003 . 1 . . . . . 27 ILE HG23 . 27095 1 313 . 1 . 1 28 28 THR C C 13 176.806 0.055 . 1 . . . . . 28 THR C . 27095 1 314 . 1 . 1 28 28 THR CA C 13 60.517 0.098 . 1 . . . . . 28 THR CA . 27095 1 315 . 1 . 1 28 28 THR CB C 13 70.622 0.061 . 1 . . . . . 28 THR CB . 27095 1 316 . 1 . 1 28 28 THR CG2 C 13 22.083 0.045 . 1 . . . . . 28 THR CG2 . 27095 1 317 . 1 . 1 28 28 THR H H 1 8.323 0.002 . 1 . . . . . 28 THR H . 27095 1 318 . 1 . 1 28 28 THR HA H 1 5.049 0.003 . 1 . . . . . 28 THR HA . 27095 1 319 . 1 . 1 28 28 THR HB H 1 4.618 0.005 . 1 . . . . . 28 THR HB . 27095 1 320 . 1 . 1 28 28 THR HG21 H 1 1.303 0.004 . 1 . . . . . 28 THR HG21 . 27095 1 321 . 1 . 1 28 28 THR HG22 H 1 1.303 0.004 . 1 . . . . . 28 THR HG22 . 27095 1 322 . 1 . 1 28 28 THR HG23 H 1 1.303 0.004 . 1 . . . . . 28 THR HG23 . 27095 1 323 . 1 . 1 28 28 THR N N 15 110.892 0.030 . 1 . . . . . 28 THR N . 27095 1 324 . 1 . 1 29 29 THR C C 13 177.054 0.028 . 1 . . . . . 29 THR C . 27095 1 325 . 1 . 1 29 29 THR CA C 13 65.141 0.056 . 1 . . . . . 29 THR CA . 27095 1 326 . 1 . 1 29 29 THR CB C 13 67.479 0.058 . 1 . . . . . 29 THR CB . 27095 1 327 . 1 . 1 29 29 THR CG2 C 13 23.495 0.027 . 1 . . . . . 29 THR CG2 . 27095 1 328 . 1 . 1 29 29 THR H H 1 8.294 0.003 . 1 . . . . . 29 THR H . 27095 1 329 . 1 . 1 29 29 THR HA H 1 3.728 0.002 . 1 . . . . . 29 THR HA . 27095 1 330 . 1 . 1 29 29 THR HB H 1 4.215 0.004 . 1 . . . . . 29 THR HB . 27095 1 331 . 1 . 1 29 29 THR HG21 H 1 1.141 0.004 . 1 . . . . . 29 THR HG21 . 27095 1 332 . 1 . 1 29 29 THR HG22 H 1 1.141 0.004 . 1 . . . . . 29 THR HG22 . 27095 1 333 . 1 . 1 29 29 THR HG23 H 1 1.141 0.004 . 1 . . . . . 29 THR HG23 . 27095 1 334 . 1 . 1 29 29 THR N N 15 112.718 0.016 . 1 . . . . . 29 THR N . 27095 1 335 . 1 . 1 30 30 LYS C C 13 177.963 0.029 . 1 . . . . . 30 LYS C . 27095 1 336 . 1 . 1 30 30 LYS CA C 13 58.324 0.082 . 1 . . . . . 30 LYS CA . 27095 1 337 . 1 . 1 30 30 LYS CB C 13 32.273 0.043 . 1 . . . . . 30 LYS CB . 27095 1 338 . 1 . 1 30 30 LYS CD C 13 28.922 0.062 . 1 . . . . . 30 LYS CD . 27095 1 339 . 1 . 1 30 30 LYS CE C 13 42.204 0.000 . 1 . . . . . 30 LYS CE . 27095 1 340 . 1 . 1 30 30 LYS CG C 13 24.958 0.070 . 1 . . . . . 30 LYS CG . 27095 1 341 . 1 . 1 30 30 LYS H H 1 7.637 0.003 . 1 . . . . . 30 LYS H . 27095 1 342 . 1 . 1 30 30 LYS HA H 1 4.137 0.005 . 1 . . . . . 30 LYS HA . 27095 1 343 . 1 . 1 30 30 LYS HB2 H 1 1.828 0.005 . 1 . . . . . 30 LYS HB2 . 27095 1 344 . 1 . 1 30 30 LYS HD2 H 1 1.693 0.007 . 1 . . . . . 30 LYS HD2 . 27095 1 345 . 1 . 1 30 30 LYS HE2 H 1 2.998 0.006 . 1 . . . . . 30 LYS HE2 . 27095 1 346 . 1 . 1 30 30 LYS HG2 H 1 1.483 0.004 . 1 . . . . . 30 LYS HG2 . 27095 1 347 . 1 . 1 30 30 LYS N N 15 119.103 0.059 . 1 . . . . . 30 LYS N . 27095 1 348 . 1 . 1 31 31 GLU C C 13 176.226 0.024 . 1 . . . . . 31 GLU C . 27095 1 349 . 1 . 1 31 31 GLU CA C 13 56.045 0.100 . 1 . . . . . 31 GLU CA . 27095 1 350 . 1 . 1 31 31 GLU CB C 13 29.738 0.042 . 1 . . . . . 31 GLU CB . 27095 1 351 . 1 . 1 31 31 GLU CG C 13 36.634 0.038 . 1 . . . . . 31 GLU CG . 27095 1 352 . 1 . 1 31 31 GLU H H 1 7.506 0.003 . 1 . . . . . 31 GLU H . 27095 1 353 . 1 . 1 31 31 GLU HA H 1 4.383 0.003 . 1 . . . . . 31 GLU HA . 27095 1 354 . 1 . 1 31 31 GLU HB2 H 1 1.784 0.000 . 2 . . . . . 31 GLU HB2 . 27095 1 355 . 1 . 1 31 31 GLU HB3 H 1 1.874 0.000 . 2 . . . . . 31 GLU HB3 . 27095 1 356 . 1 . 1 31 31 GLU HG2 H 1 2.135 0.003 . 1 . . . . . 31 GLU HG2 . 27095 1 357 . 1 . 1 31 31 GLU N N 15 117.729 0.026 . 1 . . . . . 31 GLU N . 27095 1 358 . 1 . 1 32 32 LEU C C 13 178.116 0.020 . 1 . . . . . 32 LEU C . 27095 1 359 . 1 . 1 32 32 LEU CA C 13 58.617 0.053 . 1 . . . . . 32 LEU CA . 27095 1 360 . 1 . 1 32 32 LEU CB C 13 41.824 0.049 . 1 . . . . . 32 LEU CB . 27095 1 361 . 1 . 1 32 32 LEU CD1 C 13 26.305 0.037 . 2 . . . . . 32 LEU CD1 . 27095 1 362 . 1 . 1 32 32 LEU CD2 C 13 23.464 0.028 . 2 . . . . . 32 LEU CD2 . 27095 1 363 . 1 . 1 32 32 LEU CG C 13 27.185 0.056 . 1 . . . . . 32 LEU CG . 27095 1 364 . 1 . 1 32 32 LEU H H 1 7.363 0.003 . 1 . . . . . 32 LEU H . 27095 1 365 . 1 . 1 32 32 LEU HA H 1 3.763 0.004 . 1 . . . . . 32 LEU HA . 27095 1 366 . 1 . 1 32 32 LEU HB2 H 1 1.383 0.008 . 2 . . . . . 32 LEU HB2 . 27095 1 367 . 1 . 1 32 32 LEU HB3 H 1 1.882 0.007 . 2 . . . . . 32 LEU HB3 . 27095 1 368 . 1 . 1 32 32 LEU HD11 H 1 0.907 0.004 . 2 . . . . . 32 LEU HD11 . 27095 1 369 . 1 . 1 32 32 LEU HD12 H 1 0.907 0.004 . 2 . . . . . 32 LEU HD12 . 27095 1 370 . 1 . 1 32 32 LEU HD13 H 1 0.907 0.004 . 2 . . . . . 32 LEU HD13 . 27095 1 371 . 1 . 1 32 32 LEU HD21 H 1 1.040 0.005 . 2 . . . . . 32 LEU HD21 . 27095 1 372 . 1 . 1 32 32 LEU HD22 H 1 1.040 0.005 . 2 . . . . . 32 LEU HD22 . 27095 1 373 . 1 . 1 32 32 LEU HD23 H 1 1.040 0.005 . 2 . . . . . 32 LEU HD23 . 27095 1 374 . 1 . 1 32 32 LEU HG H 1 1.513 0.005 . 1 . . . . . 32 LEU HG . 27095 1 375 . 1 . 1 32 32 LEU N N 15 121.082 0.028 . 1 . . . . . 32 LEU N . 27095 1 376 . 1 . 1 33 33 GLY C C 13 174.950 0.000 . 1 . . . . . 33 GLY C . 27095 1 377 . 1 . 1 33 33 GLY CA C 13 48.094 0.064 . 1 . . . . . 33 GLY CA . 27095 1 378 . 1 . 1 33 33 GLY H H 1 8.794 0.004 . 1 . . . . . 33 GLY H . 27095 1 379 . 1 . 1 33 33 GLY HA2 H 1 3.470 0.007 . 2 . . . . . 33 GLY HA2 . 27095 1 380 . 1 . 1 33 33 GLY HA3 H 1 3.817 0.005 . 2 . . . . . 33 GLY HA3 . 27095 1 381 . 1 . 1 33 33 GLY N N 15 105.652 0.022 . 1 . . . . . 33 GLY N . 27095 1 382 . 1 . 1 34 34 THR C C 13 177.242 0.013 . 1 . . . . . 34 THR C . 27095 1 383 . 1 . 1 34 34 THR CA C 13 66.057 0.055 . 1 . . . . . 34 THR CA . 27095 1 384 . 1 . 1 34 34 THR CB C 13 68.194 0.092 . 1 . . . . . 34 THR CB . 27095 1 385 . 1 . 1 34 34 THR CG2 C 13 23.363 0.022 . 1 . . . . . 34 THR CG2 . 27095 1 386 . 1 . 1 34 34 THR H H 1 7.501 0.001 . 1 . . . . . 34 THR H . 27095 1 387 . 1 . 1 34 34 THR HA H 1 3.765 0.003 . 1 . . . . . 34 THR HA . 27095 1 388 . 1 . 1 34 34 THR HB H 1 3.976 0.005 . 1 . . . . . 34 THR HB . 27095 1 389 . 1 . 1 34 34 THR HG21 H 1 1.196 0.006 . 1 . . . . . 34 THR HG21 . 27095 1 390 . 1 . 1 34 34 THR HG22 H 1 1.196 0.006 . 1 . . . . . 34 THR HG22 . 27095 1 391 . 1 . 1 34 34 THR HG23 H 1 1.196 0.006 . 1 . . . . . 34 THR HG23 . 27095 1 392 . 1 . 1 34 34 THR N N 15 118.509 0.017 . 1 . . . . . 34 THR N . 27095 1 393 . 1 . 1 35 35 VAL C C 13 179.224 0.014 . 1 . . . . . 35 VAL C . 27095 1 394 . 1 . 1 35 35 VAL CA C 13 66.421 0.043 . 1 . . . . . 35 VAL CA . 27095 1 395 . 1 . 1 35 35 VAL CB C 13 31.356 0.054 . 1 . . . . . 35 VAL CB . 27095 1 396 . 1 . 1 35 35 VAL CG1 C 13 22.691 0.029 . 2 . . . . . 35 VAL CG1 . 27095 1 397 . 1 . 1 35 35 VAL CG2 C 13 22.161 0.033 . 2 . . . . . 35 VAL CG2 . 27095 1 398 . 1 . 1 35 35 VAL H H 1 7.956 0.003 . 1 . . . . . 35 VAL H . 27095 1 399 . 1 . 1 35 35 VAL HA H 1 3.337 0.003 . 1 . . . . . 35 VAL HA . 27095 1 400 . 1 . 1 35 35 VAL HB H 1 1.873 0.006 . 1 . . . . . 35 VAL HB . 27095 1 401 . 1 . 1 35 35 VAL HG11 H 1 0.508 0.004 . 2 . . . . . 35 VAL HG11 . 27095 1 402 . 1 . 1 35 35 VAL HG12 H 1 0.508 0.004 . 2 . . . . . 35 VAL HG12 . 27095 1 403 . 1 . 1 35 35 VAL HG13 H 1 0.508 0.004 . 2 . . . . . 35 VAL HG13 . 27095 1 404 . 1 . 1 35 35 VAL HG21 H 1 0.692 0.003 . 2 . . . . . 35 VAL HG21 . 27095 1 405 . 1 . 1 35 35 VAL HG22 H 1 0.692 0.003 . 2 . . . . . 35 VAL HG22 . 27095 1 406 . 1 . 1 35 35 VAL HG23 H 1 0.692 0.003 . 2 . . . . . 35 VAL HG23 . 27095 1 407 . 1 . 1 35 35 VAL N N 15 122.970 0.039 . 1 . . . . . 35 VAL N . 27095 1 408 . 1 . 1 36 36 MET C C 13 179.020 0.017 . 1 . . . . . 36 MET C . 27095 1 409 . 1 . 1 36 36 MET CA C 13 60.187 0.054 . 1 . . . . . 36 MET CA . 27095 1 410 . 1 . 1 36 36 MET CB C 13 31.746 0.060 . 1 . . . . . 36 MET CB . 27095 1 411 . 1 . 1 36 36 MET CE C 13 17.297 0.028 . 1 . . . . . 36 MET CE . 27095 1 412 . 1 . 1 36 36 MET CG C 13 33.327 0.055 . 1 . . . . . 36 MET CG . 27095 1 413 . 1 . 1 36 36 MET H H 1 8.448 0.003 . 1 . . . . . 36 MET H . 27095 1 414 . 1 . 1 36 36 MET HA H 1 3.985 0.005 . 1 . . . . . 36 MET HA . 27095 1 415 . 1 . 1 36 36 MET HB2 H 1 1.881 0.001 . 2 . . . . . 36 MET HB2 . 27095 1 416 . 1 . 1 36 36 MET HB3 H 1 2.078 0.002 . 2 . . . . . 36 MET HB3 . 27095 1 417 . 1 . 1 36 36 MET HE1 H 1 1.834 0.001 . 1 . . . . . 36 MET HE1 . 27095 1 418 . 1 . 1 36 36 MET HE2 H 1 1.834 0.001 . 1 . . . . . 36 MET HE2 . 27095 1 419 . 1 . 1 36 36 MET HE3 H 1 1.834 0.001 . 1 . . . . . 36 MET HE3 . 27095 1 420 . 1 . 1 36 36 MET HG2 H 1 2.499 0.004 . 2 . . . . . 36 MET HG2 . 27095 1 421 . 1 . 1 36 36 MET HG3 H 1 2.748 0.007 . 2 . . . . . 36 MET HG3 . 27095 1 422 . 1 . 1 36 36 MET N N 15 118.660 0.014 . 1 . . . . . 36 MET N . 27095 1 423 . 1 . 1 37 37 ARG C C 13 181.281 0.021 . 1 . . . . . 37 ARG C . 27095 1 424 . 1 . 1 37 37 ARG CA C 13 59.227 0.062 . 1 . . . . . 37 ARG CA . 27095 1 425 . 1 . 1 37 37 ARG CB C 13 30.137 0.075 . 1 . . . . . 37 ARG CB . 27095 1 426 . 1 . 1 37 37 ARG CD C 13 43.474 0.056 . 1 . . . . . 37 ARG CD . 27095 1 427 . 1 . 1 37 37 ARG CG C 13 29.269 0.031 . 1 . . . . . 37 ARG CG . 27095 1 428 . 1 . 1 37 37 ARG H H 1 8.502 0.003 . 1 . . . . . 37 ARG H . 27095 1 429 . 1 . 1 37 37 ARG HA H 1 4.682 0.004 . 1 . . . . . 37 ARG HA . 27095 1 430 . 1 . 1 37 37 ARG HB2 H 1 1.884 0.005 . 1 . . . . . 37 ARG HB2 . 27095 1 431 . 1 . 1 37 37 ARG HD2 H 1 3.075 0.005 . 2 . . . . . 37 ARG HD2 . 27095 1 432 . 1 . 1 37 37 ARG HD3 H 1 3.264 0.004 . 2 . . . . . 37 ARG HD3 . 27095 1 433 . 1 . 1 37 37 ARG HG2 H 1 1.846 0.006 . 1 . . . . . 37 ARG HG2 . 27095 1 434 . 1 . 1 37 37 ARG N N 15 119.701 0.032 . 1 . . . . . 37 ARG N . 27095 1 435 . 1 . 1 38 38 SER C C 13 174.978 0.000 . 1 . . . . . 38 SER C . 27095 1 436 . 1 . 1 38 38 SER CA C 13 61.661 0.083 . 1 . . . . . 38 SER CA . 27095 1 437 . 1 . 1 38 38 SER CB C 13 62.691 0.082 . 1 . . . . . 38 SER CB . 27095 1 438 . 1 . 1 38 38 SER H H 1 8.108 0.003 . 1 . . . . . 38 SER H . 27095 1 439 . 1 . 1 38 38 SER HA H 1 4.424 0.004 . 1 . . . . . 38 SER HA . 27095 1 440 . 1 . 1 38 38 SER HB2 H 1 4.136 0.005 . 2 . . . . . 38 SER HB2 . 27095 1 441 . 1 . 1 38 38 SER HB3 H 1 4.217 0.007 . 2 . . . . . 38 SER HB3 . 27095 1 442 . 1 . 1 38 38 SER N N 15 119.219 0.026 . 1 . . . . . 38 SER N . 27095 1 443 . 1 . 1 39 39 LEU C C 13 177.230 0.000 . 1 . . . . . 39 LEU C . 27095 1 444 . 1 . 1 39 39 LEU CA C 13 54.417 0.068 . 1 . . . . . 39 LEU CA . 27095 1 445 . 1 . 1 39 39 LEU CB C 13 42.863 0.053 . 1 . . . . . 39 LEU CB . 27095 1 446 . 1 . 1 39 39 LEU CD1 C 13 26.548 0.021 . 2 . . . . . 39 LEU CD1 . 27095 1 447 . 1 . 1 39 39 LEU CD2 C 13 23.319 0.041 . 2 . . . . . 39 LEU CD2 . 27095 1 448 . 1 . 1 39 39 LEU CG C 13 26.557 0.015 . 1 . . . . . 39 LEU CG . 27095 1 449 . 1 . 1 39 39 LEU H H 1 7.332 0.003 . 1 . . . . . 39 LEU H . 27095 1 450 . 1 . 1 39 39 LEU HA H 1 4.592 0.004 . 1 . . . . . 39 LEU HA . 27095 1 451 . 1 . 1 39 39 LEU HB2 H 1 1.885 0.008 . 1 . . . . . 39 LEU HB2 . 27095 1 452 . 1 . 1 39 39 LEU HD11 H 1 0.997 0.003 . 2 . . . . . 39 LEU HD11 . 27095 1 453 . 1 . 1 39 39 LEU HD12 H 1 0.997 0.003 . 2 . . . . . 39 LEU HD12 . 27095 1 454 . 1 . 1 39 39 LEU HD13 H 1 0.997 0.003 . 2 . . . . . 39 LEU HD13 . 27095 1 455 . 1 . 1 39 39 LEU HD21 H 1 1.132 0.006 . 2 . . . . . 39 LEU HD21 . 27095 1 456 . 1 . 1 39 39 LEU HD22 H 1 1.132 0.006 . 2 . . . . . 39 LEU HD22 . 27095 1 457 . 1 . 1 39 39 LEU HD23 H 1 1.132 0.006 . 2 . . . . . 39 LEU HD23 . 27095 1 458 . 1 . 1 39 39 LEU HG H 1 1.841 0.005 . 1 . . . . . 39 LEU HG . 27095 1 459 . 1 . 1 39 39 LEU N N 15 121.244 0.016 . 1 . . . . . 39 LEU N . 27095 1 460 . 1 . 1 40 40 GLY C C 13 174.319 0.000 . 1 . . . . . 40 GLY C . 27095 1 461 . 1 . 1 40 40 GLY CA C 13 45.740 0.039 . 1 . . . . . 40 GLY CA . 27095 1 462 . 1 . 1 40 40 GLY H H 1 7.926 0.003 . 1 . . . . . 40 GLY H . 27095 1 463 . 1 . 1 40 40 GLY HA2 H 1 3.813 0.003 . 2 . . . . . 40 GLY HA2 . 27095 1 464 . 1 . 1 40 40 GLY HA3 H 1 4.243 0.002 . 2 . . . . . 40 GLY HA3 . 27095 1 465 . 1 . 1 40 40 GLY N N 15 107.391 0.031 . 1 . . . . . 40 GLY N . 27095 1 466 . 1 . 1 41 41 GLN C C 13 174.011 0.012 . 1 . . . . . 41 GLN C . 27095 1 467 . 1 . 1 41 41 GLN CA C 13 54.010 0.076 . 1 . . . . . 41 GLN CA . 27095 1 468 . 1 . 1 41 41 GLN CB C 13 30.018 0.097 . 1 . . . . . 41 GLN CB . 27095 1 469 . 1 . 1 41 41 GLN CG C 13 33.168 0.042 . 1 . . . . . 41 GLN CG . 27095 1 470 . 1 . 1 41 41 GLN H H 1 7.766 0.003 . 1 . . . . . 41 GLN H . 27095 1 471 . 1 . 1 41 41 GLN HA H 1 4.418 0.004 . 1 . . . . . 41 GLN HA . 27095 1 472 . 1 . 1 41 41 GLN HB2 H 1 1.559 0.005 . 1 . . . . . 41 GLN HB2 . 27095 1 473 . 1 . 1 41 41 GLN HE21 H 1 6.668 0.005 . 1 . . . . . 41 GLN HE21 . 27095 1 474 . 1 . 1 41 41 GLN HE22 H 1 7.506 0.002 . 1 . . . . . 41 GLN HE22 . 27095 1 475 . 1 . 1 41 41 GLN HG2 H 1 2.065 0.005 . 2 . . . . . 41 GLN HG2 . 27095 1 476 . 1 . 1 41 41 GLN HG3 H 1 2.186 0.003 . 2 . . . . . 41 GLN HG3 . 27095 1 477 . 1 . 1 41 41 GLN N N 15 117.942 0.009 . 1 . . . . . 41 GLN N . 27095 1 478 . 1 . 1 41 41 GLN NE2 N 15 111.487 0.002 . 1 . . . . . 41 GLN NE2 . 27095 1 479 . 1 . 1 42 42 ASN C C 13 172.135 0.000 . 1 . . . . . 42 ASN C . 27095 1 480 . 1 . 1 42 42 ASN CA C 13 51.037 0.052 . 1 . . . . . 42 ASN CA . 27095 1 481 . 1 . 1 42 42 ASN CB C 13 39.261 0.038 . 1 . . . . . 42 ASN CB . 27095 1 482 . 1 . 1 42 42 ASN H H 1 8.658 0.003 . 1 . . . . . 42 ASN H . 27095 1 483 . 1 . 1 42 42 ASN HA H 1 5.161 0.003 . 1 . . . . . 42 ASN HA . 27095 1 484 . 1 . 1 42 42 ASN HB2 H 1 2.497 0.002 . 2 . . . . . 42 ASN HB2 . 27095 1 485 . 1 . 1 42 42 ASN HB3 H 1 2.744 0.003 . 2 . . . . . 42 ASN HB3 . 27095 1 486 . 1 . 1 42 42 ASN HD21 H 1 6.732 0.002 . 1 . . . . . 42 ASN HD21 . 27095 1 487 . 1 . 1 42 42 ASN HD22 H 1 7.526 0.001 . 1 . . . . . 42 ASN HD22 . 27095 1 488 . 1 . 1 42 42 ASN N N 15 116.767 0.019 . 1 . . . . . 42 ASN N . 27095 1 489 . 1 . 1 42 42 ASN ND2 N 15 112.340 0.003 . 1 . . . . . 42 ASN ND2 . 27095 1 490 . 1 . 1 43 43 PRO C C 13 177.570 0.006 . 1 . . . . . 43 PRO C . 27095 1 491 . 1 . 1 43 43 PRO CA C 13 62.348 0.031 . 1 . . . . . 43 PRO CA . 27095 1 492 . 1 . 1 43 43 PRO CB C 13 31.855 0.030 . 1 . . . . . 43 PRO CB . 27095 1 493 . 1 . 1 43 43 PRO CD C 13 50.033 0.061 . 1 . . . . . 43 PRO CD . 27095 1 494 . 1 . 1 43 43 PRO CG C 13 27.356 0.016 . 1 . . . . . 43 PRO CG . 27095 1 495 . 1 . 1 43 43 PRO HA H 1 4.717 0.003 . 1 . . . . . 43 PRO HA . 27095 1 496 . 1 . 1 43 43 PRO HB2 H 1 1.953 0.004 . 2 . . . . . 43 PRO HB2 . 27095 1 497 . 1 . 1 43 43 PRO HB3 H 1 2.062 0.005 . 2 . . . . . 43 PRO HB3 . 27095 1 498 . 1 . 1 43 43 PRO HD2 H 1 3.277 0.005 . 2 . . . . . 43 PRO HD2 . 27095 1 499 . 1 . 1 43 43 PRO HD3 H 1 3.660 0.007 . 2 . . . . . 43 PRO HD3 . 27095 1 500 . 1 . 1 43 43 PRO HG2 H 1 1.951 0.003 . 1 . . . . . 43 PRO HG2 . 27095 1 501 . 1 . 1 44 44 THR C C 13 175.038 0.009 . 1 . . . . . 44 THR C . 27095 1 502 . 1 . 1 44 44 THR CA C 13 60.645 0.065 . 1 . . . . . 44 THR CA . 27095 1 503 . 1 . 1 44 44 THR CB C 13 70.933 0.056 . 1 . . . . . 44 THR CB . 27095 1 504 . 1 . 1 44 44 THR CG2 C 13 21.917 0.025 . 1 . . . . . 44 THR CG2 . 27095 1 505 . 1 . 1 44 44 THR H H 1 8.751 0.003 . 1 . . . . . 44 THR H . 27095 1 506 . 1 . 1 44 44 THR HA H 1 4.401 0.003 . 1 . . . . . 44 THR HA . 27095 1 507 . 1 . 1 44 44 THR HB H 1 4.709 0.003 . 1 . . . . . 44 THR HB . 27095 1 508 . 1 . 1 44 44 THR HG21 H 1 1.349 0.004 . 1 . . . . . 44 THR HG21 . 27095 1 509 . 1 . 1 44 44 THR HG22 H 1 1.349 0.004 . 1 . . . . . 44 THR HG22 . 27095 1 510 . 1 . 1 44 44 THR HG23 H 1 1.349 0.004 . 1 . . . . . 44 THR HG23 . 27095 1 511 . 1 . 1 44 44 THR N N 15 113.333 0.026 . 1 . . . . . 44 THR N . 27095 1 512 . 1 . 1 45 45 GLU C C 13 179.142 0.002 . 1 . . . . . 45 GLU C . 27095 1 513 . 1 . 1 45 45 GLU CA C 13 60.004 0.038 . 1 . . . . . 45 GLU CA . 27095 1 514 . 1 . 1 45 45 GLU CB C 13 29.039 0.088 . 1 . . . . . 45 GLU CB . 27095 1 515 . 1 . 1 45 45 GLU CG C 13 36.416 0.000 . 1 . . . . . 45 GLU CG . 27095 1 516 . 1 . 1 45 45 GLU H H 1 8.854 0.003 . 1 . . . . . 45 GLU H . 27095 1 517 . 1 . 1 45 45 GLU HA H 1 3.991 0.009 . 1 . . . . . 45 GLU HA . 27095 1 518 . 1 . 1 45 45 GLU HB2 H 1 2.026 0.002 . 1 . . . . . 45 GLU HB2 . 27095 1 519 . 1 . 1 45 45 GLU HG2 H 1 2.338 0.002 . 1 . . . . . 45 GLU HG2 . 27095 1 520 . 1 . 1 45 45 GLU N N 15 120.685 0.014 . 1 . . . . . 45 GLU N . 27095 1 521 . 1 . 1 46 46 ALA C C 13 180.111 0.020 . 1 . . . . . 46 ALA C . 27095 1 522 . 1 . 1 46 46 ALA CA C 13 54.976 0.052 . 1 . . . . . 46 ALA CA . 27095 1 523 . 1 . 1 46 46 ALA CB C 13 18.275 0.032 . 1 . . . . . 46 ALA CB . 27095 1 524 . 1 . 1 46 46 ALA H H 1 8.321 0.002 . 1 . . . . . 46 ALA H . 27095 1 525 . 1 . 1 46 46 ALA HA H 1 4.081 0.002 . 1 . . . . . 46 ALA HA . 27095 1 526 . 1 . 1 46 46 ALA HB1 H 1 1.375 0.004 . 1 . . . . . 46 ALA HB1 . 27095 1 527 . 1 . 1 46 46 ALA HB2 H 1 1.375 0.004 . 1 . . . . . 46 ALA HB2 . 27095 1 528 . 1 . 1 46 46 ALA HB3 H 1 1.375 0.004 . 1 . . . . . 46 ALA HB3 . 27095 1 529 . 1 . 1 46 46 ALA N N 15 121.164 0.027 . 1 . . . . . 46 ALA N . 27095 1 530 . 1 . 1 47 47 GLU C C 13 179.869 0.017 . 1 . . . . . 47 GLU C . 27095 1 531 . 1 . 1 47 47 GLU CA C 13 58.900 0.066 . 1 . . . . . 47 GLU CA . 27095 1 532 . 1 . 1 47 47 GLU CB C 13 30.047 0.094 . 1 . . . . . 47 GLU CB . 27095 1 533 . 1 . 1 47 47 GLU CG C 13 37.079 0.000 . 1 . . . . . 47 GLU CG . 27095 1 534 . 1 . 1 47 47 GLU H H 1 7.728 0.003 . 1 . . . . . 47 GLU H . 27095 1 535 . 1 . 1 47 47 GLU HA H 1 4.003 0.001 . 1 . . . . . 47 GLU HA . 27095 1 536 . 1 . 1 47 47 GLU HB2 H 1 1.866 0.004 . 2 . . . . . 47 GLU HB2 . 27095 1 537 . 1 . 1 47 47 GLU HB3 H 1 2.260 0.002 . 2 . . . . . 47 GLU HB3 . 27095 1 538 . 1 . 1 47 47 GLU HG2 H 1 2.259 0.000 . 2 . . . . . 47 GLU HG2 . 27095 1 539 . 1 . 1 47 47 GLU HG3 H 1 2.344 0.000 . 2 . . . . . 47 GLU HG3 . 27095 1 540 . 1 . 1 47 47 GLU N N 15 119.089 0.006 . 1 . . . . . 47 GLU N . 27095 1 541 . 1 . 1 48 48 LEU C C 13 178.314 0.041 . 1 . . . . . 48 LEU C . 27095 1 542 . 1 . 1 48 48 LEU CA C 13 57.930 0.113 . 1 . . . . . 48 LEU CA . 27095 1 543 . 1 . 1 48 48 LEU CB C 13 41.857 0.064 . 1 . . . . . 48 LEU CB . 27095 1 544 . 1 . 1 48 48 LEU CD1 C 13 24.235 0.029 . 2 . . . . . 48 LEU CD1 . 27095 1 545 . 1 . 1 48 48 LEU CD2 C 13 25.131 0.048 . 2 . . . . . 48 LEU CD2 . 27095 1 546 . 1 . 1 48 48 LEU CG C 13 27.315 0.040 . 1 . . . . . 48 LEU CG . 27095 1 547 . 1 . 1 48 48 LEU H H 1 8.337 0.002 . 1 . . . . . 48 LEU H . 27095 1 548 . 1 . 1 48 48 LEU HA H 1 4.037 0.003 . 1 . . . . . 48 LEU HA . 27095 1 549 . 1 . 1 48 48 LEU HB2 H 1 1.544 0.006 . 2 . . . . . 48 LEU HB2 . 27095 1 550 . 1 . 1 48 48 LEU HB3 H 1 1.773 0.004 . 2 . . . . . 48 LEU HB3 . 27095 1 551 . 1 . 1 48 48 LEU HD11 H 1 0.811 0.004 . 2 . . . . . 48 LEU HD11 . 27095 1 552 . 1 . 1 48 48 LEU HD12 H 1 0.811 0.004 . 2 . . . . . 48 LEU HD12 . 27095 1 553 . 1 . 1 48 48 LEU HD13 H 1 0.811 0.004 . 2 . . . . . 48 LEU HD13 . 27095 1 554 . 1 . 1 48 48 LEU HD21 H 1 0.812 0.002 . 2 . . . . . 48 LEU HD21 . 27095 1 555 . 1 . 1 48 48 LEU HD22 H 1 0.812 0.002 . 2 . . . . . 48 LEU HD22 . 27095 1 556 . 1 . 1 48 48 LEU HD23 H 1 0.812 0.002 . 2 . . . . . 48 LEU HD23 . 27095 1 557 . 1 . 1 48 48 LEU HG H 1 1.612 0.004 . 1 . . . . . 48 LEU HG . 27095 1 558 . 1 . 1 48 48 LEU N N 15 120.319 0.027 . 1 . . . . . 48 LEU N . 27095 1 559 . 1 . 1 49 49 GLN C C 13 178.189 0.029 . 1 . . . . . 49 GLN C . 27095 1 560 . 1 . 1 49 49 GLN CA C 13 58.591 0.084 . 1 . . . . . 49 GLN CA . 27095 1 561 . 1 . 1 49 49 GLN CB C 13 28.088 0.085 . 1 . . . . . 49 GLN CB . 27095 1 562 . 1 . 1 49 49 GLN CG C 13 33.877 0.029 . 1 . . . . . 49 GLN CG . 27095 1 563 . 1 . 1 49 49 GLN H H 1 8.063 0.003 . 1 . . . . . 49 GLN H . 27095 1 564 . 1 . 1 49 49 GLN HA H 1 3.873 0.005 . 1 . . . . . 49 GLN HA . 27095 1 565 . 1 . 1 49 49 GLN HB2 H 1 2.131 0.005 . 1 . . . . . 49 GLN HB2 . 27095 1 566 . 1 . 1 49 49 GLN HG2 H 1 2.409 0.004 . 1 . . . . . 49 GLN HG2 . 27095 1 567 . 1 . 1 49 49 GLN N N 15 117.750 0.008 . 1 . . . . . 49 GLN N . 27095 1 568 . 1 . 1 50 50 ASP C C 13 178.942 0.015 . 1 . . . . . 50 ASP C . 27095 1 569 . 1 . 1 50 50 ASP CA C 13 57.420 0.059 . 1 . . . . . 50 ASP CA . 27095 1 570 . 1 . 1 50 50 ASP CB C 13 40.443 0.053 . 1 . . . . . 50 ASP CB . 27095 1 571 . 1 . 1 50 50 ASP H H 1 7.831 0.002 . 1 . . . . . 50 ASP H . 27095 1 572 . 1 . 1 50 50 ASP HA H 1 4.416 0.006 . 1 . . . . . 50 ASP HA . 27095 1 573 . 1 . 1 50 50 ASP HB2 H 1 2.660 0.004 . 2 . . . . . 50 ASP HB2 . 27095 1 574 . 1 . 1 50 50 ASP HB3 H 1 2.773 0.002 . 2 . . . . . 50 ASP HB3 . 27095 1 575 . 1 . 1 50 50 ASP N N 15 119.087 0.011 . 1 . . . . . 50 ASP N . 27095 1 576 . 1 . 1 51 51 MET C C 13 178.471 0.000 . 1 . . . . . 51 MET C . 27095 1 577 . 1 . 1 51 51 MET CA C 13 59.785 0.038 . 1 . . . . . 51 MET CA . 27095 1 578 . 1 . 1 51 51 MET CB C 13 34.145 0.034 . 1 . . . . . 51 MET CB . 27095 1 579 . 1 . 1 51 51 MET CE C 13 17.373 0.027 . 1 . . . . . 51 MET CE . 27095 1 580 . 1 . 1 51 51 MET CG C 13 32.912 0.030 . 1 . . . . . 51 MET CG . 27095 1 581 . 1 . 1 51 51 MET H H 1 7.942 0.004 . 1 . . . . . 51 MET H . 27095 1 582 . 1 . 1 51 51 MET HA H 1 4.024 0.003 . 1 . . . . . 51 MET HA . 27095 1 583 . 1 . 1 51 51 MET HB2 H 1 2.050 0.004 . 2 . . . . . 51 MET HB2 . 27095 1 584 . 1 . 1 51 51 MET HB3 H 1 2.291 0.005 . 2 . . . . . 51 MET HB3 . 27095 1 585 . 1 . 1 51 51 MET HE1 H 1 1.959 0.001 . 1 . . . . . 51 MET HE1 . 27095 1 586 . 1 . 1 51 51 MET HE2 H 1 1.959 0.001 . 1 . . . . . 51 MET HE2 . 27095 1 587 . 1 . 1 51 51 MET HE3 H 1 1.959 0.001 . 1 . . . . . 51 MET HE3 . 27095 1 588 . 1 . 1 51 51 MET HG2 H 1 2.552 0.008 . 2 . . . . . 51 MET HG2 . 27095 1 589 . 1 . 1 51 51 MET HG3 H 1 2.809 0.004 . 2 . . . . . 51 MET HG3 . 27095 1 590 . 1 . 1 51 51 MET N N 15 119.270 0.016 . 1 . . . . . 51 MET N . 27095 1 591 . 1 . 1 52 52 ILE C C 13 177.512 0.002 . 1 . . . . . 52 ILE C . 27095 1 592 . 1 . 1 52 52 ILE CA C 13 65.357 0.053 . 1 . . . . . 52 ILE CA . 27095 1 593 . 1 . 1 52 52 ILE CB C 13 38.140 0.024 . 1 . . . . . 52 ILE CB . 27095 1 594 . 1 . 1 52 52 ILE CD1 C 13 13.722 0.075 . 1 . . . . . 52 ILE CD1 . 27095 1 595 . 1 . 1 52 52 ILE CG1 C 13 30.526 0.046 . 1 . . . . . 52 ILE CG1 . 27095 1 596 . 1 . 1 52 52 ILE CG2 C 13 17.619 0.043 . 1 . . . . . 52 ILE CG2 . 27095 1 597 . 1 . 1 52 52 ILE H H 1 8.323 0.004 . 1 . . . . . 52 ILE H . 27095 1 598 . 1 . 1 52 52 ILE HA H 1 3.477 0.005 . 1 . . . . . 52 ILE HA . 27095 1 599 . 1 . 1 52 52 ILE HB H 1 1.840 0.004 . 1 . . . . . 52 ILE HB . 27095 1 600 . 1 . 1 52 52 ILE HD11 H 1 0.797 0.004 . 1 . . . . . 52 ILE HD11 . 27095 1 601 . 1 . 1 52 52 ILE HD12 H 1 0.797 0.004 . 1 . . . . . 52 ILE HD12 . 27095 1 602 . 1 . 1 52 52 ILE HD13 H 1 0.797 0.004 . 1 . . . . . 52 ILE HD13 . 27095 1 603 . 1 . 1 52 52 ILE HG12 H 1 0.798 0.000 . 2 . . . . . 52 ILE HG12 . 27095 1 604 . 1 . 1 52 52 ILE HG13 H 1 1.756 0.005 . 2 . . . . . 52 ILE HG13 . 27095 1 605 . 1 . 1 52 52 ILE HG21 H 1 0.898 0.003 . 1 . . . . . 52 ILE HG21 . 27095 1 606 . 1 . 1 52 52 ILE HG22 H 1 0.898 0.003 . 1 . . . . . 52 ILE HG22 . 27095 1 607 . 1 . 1 52 52 ILE HG23 H 1 0.898 0.003 . 1 . . . . . 52 ILE HG23 . 27095 1 608 . 1 . 1 52 52 ILE N N 15 119.260 0.023 . 1 . . . . . 52 ILE N . 27095 1 609 . 1 . 1 53 53 ASN C C 13 176.791 0.003 . 1 . . . . . 53 ASN C . 27095 1 610 . 1 . 1 53 53 ASN CA C 13 55.277 0.057 . 1 . . . . . 53 ASN CA . 27095 1 611 . 1 . 1 53 53 ASN CB C 13 38.157 0.067 . 1 . . . . . 53 ASN CB . 27095 1 612 . 1 . 1 53 53 ASN H H 1 8.255 0.002 . 1 . . . . . 53 ASN H . 27095 1 613 . 1 . 1 53 53 ASN HA H 1 4.386 0.004 . 1 . . . . . 53 ASN HA . 27095 1 614 . 1 . 1 53 53 ASN HB2 H 1 2.813 0.005 . 2 . . . . . 53 ASN HB2 . 27095 1 615 . 1 . 1 53 53 ASN HB3 H 1 2.928 0.005 . 2 . . . . . 53 ASN HB3 . 27095 1 616 . 1 . 1 53 53 ASN HD21 H 1 6.908 0.002 . 1 . . . . . 53 ASN HD21 . 27095 1 617 . 1 . 1 53 53 ASN HD22 H 1 7.777 0.001 . 1 . . . . . 53 ASN HD22 . 27095 1 618 . 1 . 1 53 53 ASN N N 15 117.551 0.029 . 1 . . . . . 53 ASN N . 27095 1 619 . 1 . 1 53 53 ASN ND2 N 15 111.939 0.001 . 1 . . . . . 53 ASN ND2 . 27095 1 620 . 1 . 1 54 54 GLU C C 13 177.788 0.000 . 1 . . . . . 54 GLU C . 27095 1 621 . 1 . 1 54 54 GLU CA C 13 58.336 0.088 . 1 . . . . . 54 GLU CA . 27095 1 622 . 1 . 1 54 54 GLU CB C 13 30.190 0.100 . 1 . . . . . 54 GLU CB . 27095 1 623 . 1 . 1 54 54 GLU CG C 13 36.175 0.042 . 1 . . . . . 54 GLU CG . 27095 1 624 . 1 . 1 54 54 GLU H H 1 7.576 0.002 . 1 . . . . . 54 GLU H . 27095 1 625 . 1 . 1 54 54 GLU HA H 1 4.130 0.007 . 1 . . . . . 54 GLU HA . 27095 1 626 . 1 . 1 54 54 GLU HB2 H 1 2.128 0.003 . 1 . . . . . 54 GLU HB2 . 27095 1 627 . 1 . 1 54 54 GLU HG2 H 1 2.177 0.005 . 2 . . . . . 54 GLU HG2 . 27095 1 628 . 1 . 1 54 54 GLU HG3 H 1 2.366 0.005 . 2 . . . . . 54 GLU HG3 . 27095 1 629 . 1 . 1 54 54 GLU N N 15 117.536 0.010 . 1 . . . . . 54 GLU N . 27095 1 630 . 1 . 1 55 55 VAL C C 13 175.691 0.008 . 1 . . . . . 55 VAL C . 27095 1 631 . 1 . 1 55 55 VAL CA C 13 62.240 0.085 . 1 . . . . . 55 VAL CA . 27095 1 632 . 1 . 1 55 55 VAL CB C 13 32.848 0.065 . 1 . . . . . 55 VAL CB . 27095 1 633 . 1 . 1 55 55 VAL CG1 C 13 21.772 0.029 . 2 . . . . . 55 VAL CG1 . 27095 1 634 . 1 . 1 55 55 VAL CG2 C 13 20.557 0.045 . 2 . . . . . 55 VAL CG2 . 27095 1 635 . 1 . 1 55 55 VAL H H 1 7.632 0.002 . 1 . . . . . 55 VAL H . 27095 1 636 . 1 . 1 55 55 VAL HA H 1 4.336 0.005 . 1 . . . . . 55 VAL HA . 27095 1 637 . 1 . 1 55 55 VAL HB H 1 2.256 0.005 . 1 . . . . . 55 VAL HB . 27095 1 638 . 1 . 1 55 55 VAL HG11 H 1 0.958 0.005 . 2 . . . . . 55 VAL HG11 . 27095 1 639 . 1 . 1 55 55 VAL HG12 H 1 0.958 0.005 . 2 . . . . . 55 VAL HG12 . 27095 1 640 . 1 . 1 55 55 VAL HG13 H 1 0.958 0.005 . 2 . . . . . 55 VAL HG13 . 27095 1 641 . 1 . 1 55 55 VAL HG21 H 1 0.978 0.004 . 2 . . . . . 55 VAL HG21 . 27095 1 642 . 1 . 1 55 55 VAL HG22 H 1 0.978 0.004 . 2 . . . . . 55 VAL HG22 . 27095 1 643 . 1 . 1 55 55 VAL HG23 H 1 0.978 0.004 . 2 . . . . . 55 VAL HG23 . 27095 1 644 . 1 . 1 55 55 VAL N N 15 113.232 0.011 . 1 . . . . . 55 VAL N . 27095 1 645 . 1 . 1 56 56 ASP C C 13 176.886 0.035 . 1 . . . . . 56 ASP C . 27095 1 646 . 1 . 1 56 56 ASP CA C 13 53.493 0.045 . 1 . . . . . 56 ASP CA . 27095 1 647 . 1 . 1 56 56 ASP CB C 13 40.738 0.026 . 1 . . . . . 56 ASP CB . 27095 1 648 . 1 . 1 56 56 ASP H H 1 8.454 0.002 . 1 . . . . . 56 ASP H . 27095 1 649 . 1 . 1 56 56 ASP HA H 1 4.980 0.008 . 1 . . . . . 56 ASP HA . 27095 1 650 . 1 . 1 56 56 ASP HB2 H 1 2.402 0.002 . 2 . . . . . 56 ASP HB2 . 27095 1 651 . 1 . 1 56 56 ASP HB3 H 1 2.810 0.005 . 2 . . . . . 56 ASP HB3 . 27095 1 652 . 1 . 1 56 56 ASP N N 15 122.155 0.052 . 1 . . . . . 56 ASP N . 27095 1 653 . 1 . 1 57 57 ALA C C 13 178.960 0.031 . 1 . . . . . 57 ALA C . 27095 1 654 . 1 . 1 57 57 ALA CA C 13 54.639 0.086 . 1 . . . . . 57 ALA CA . 27095 1 655 . 1 . 1 57 57 ALA CB C 13 18.965 0.059 . 1 . . . . . 57 ALA CB . 27095 1 656 . 1 . 1 57 57 ALA H H 1 8.150 0.002 . 1 . . . . . 57 ALA H . 27095 1 657 . 1 . 1 57 57 ALA HA H 1 4.154 0.004 . 1 . . . . . 57 ALA HA . 27095 1 658 . 1 . 1 57 57 ALA HB1 H 1 1.419 0.003 . 1 . . . . . 57 ALA HB1 . 27095 1 659 . 1 . 1 57 57 ALA HB2 H 1 1.419 0.003 . 1 . . . . . 57 ALA HB2 . 27095 1 660 . 1 . 1 57 57 ALA HB3 H 1 1.419 0.003 . 1 . . . . . 57 ALA HB3 . 27095 1 661 . 1 . 1 57 57 ALA N N 15 125.145 0.013 . 1 . . . . . 57 ALA N . 27095 1 662 . 1 . 1 58 58 ASP C C 13 177.011 0.009 . 1 . . . . . 58 ASP C . 27095 1 663 . 1 . 1 58 58 ASP CA C 13 54.462 0.066 . 1 . . . . . 58 ASP CA . 27095 1 664 . 1 . 1 58 58 ASP CB C 13 41.128 0.038 . 1 . . . . . 58 ASP CB . 27095 1 665 . 1 . 1 58 58 ASP H H 1 8.433 0.003 . 1 . . . . . 58 ASP H . 27095 1 666 . 1 . 1 58 58 ASP HA H 1 4.642 0.003 . 1 . . . . . 58 ASP HA . 27095 1 667 . 1 . 1 58 58 ASP HB2 H 1 2.749 0.004 . 2 . . . . . 58 ASP HB2 . 27095 1 668 . 1 . 1 58 58 ASP HB3 H 1 2.649 0.002 . 2 . . . . . 58 ASP HB3 . 27095 1 669 . 1 . 1 58 58 ASP N N 15 115.031 0.025 . 1 . . . . . 58 ASP N . 27095 1 670 . 1 . 1 59 59 GLY C C 13 175.459 0.000 . 1 . . . . . 59 GLY C . 27095 1 671 . 1 . 1 59 59 GLY CA C 13 46.803 0.018 . 1 . . . . . 59 GLY CA . 27095 1 672 . 1 . 1 59 59 GLY H H 1 7.907 0.003 . 1 . . . . . 59 GLY H . 27095 1 673 . 1 . 1 59 59 GLY HA2 H 1 3.845 0.001 . 2 . . . . . 59 GLY HA2 . 27095 1 674 . 1 . 1 59 59 GLY HA3 H 1 3.913 0.005 . 2 . . . . . 59 GLY HA3 . 27095 1 675 . 1 . 1 59 59 GLY N N 15 109.177 0.011 . 1 . . . . . 59 GLY N . 27095 1 676 . 1 . 1 60 60 ASN C C 13 176.981 0.041 . 1 . . . . . 60 ASN C . 27095 1 677 . 1 . 1 60 60 ASN CA C 13 54.184 0.071 . 1 . . . . . 60 ASN CA . 27095 1 678 . 1 . 1 60 60 ASN CB C 13 39.283 0.057 . 1 . . . . . 60 ASN CB . 27095 1 679 . 1 . 1 60 60 ASN H H 1 9.254 0.002 . 1 . . . . . 60 ASN H . 27095 1 680 . 1 . 1 60 60 ASN HA H 1 4.705 0.005 . 1 . . . . . 60 ASN HA . 27095 1 681 . 1 . 1 60 60 ASN HB2 H 1 2.875 0.004 . 1 . . . . . 60 ASN HB2 . 27095 1 682 . 1 . 1 60 60 ASN HD21 H 1 7.059 0.002 . 1 . . . . . 60 ASN HD21 . 27095 1 683 . 1 . 1 60 60 ASN HD22 H 1 7.776 0.002 . 1 . . . . . 60 ASN HD22 . 27095 1 684 . 1 . 1 60 60 ASN N N 15 119.953 0.014 . 1 . . . . . 60 ASN N . 27095 1 685 . 1 . 1 60 60 ASN ND2 N 15 114.510 0.000 . 1 . . . . . 60 ASN ND2 . 27095 1 686 . 1 . 1 61 61 GLY C C 13 174.614 0.000 . 1 . . . . . 61 GLY C . 27095 1 687 . 1 . 1 61 61 GLY CA C 13 45.848 0.088 . 1 . . . . . 61 GLY CA . 27095 1 688 . 1 . 1 61 61 GLY H H 1 9.978 0.002 . 1 . . . . . 61 GLY H . 27095 1 689 . 1 . 1 61 61 GLY HA2 H 1 3.898 0.006 . 2 . . . . . 61 GLY HA2 . 27095 1 690 . 1 . 1 61 61 GLY HA3 H 1 4.135 0.005 . 2 . . . . . 61 GLY HA3 . 27095 1 691 . 1 . 1 61 61 GLY N N 15 110.393 0.016 . 1 . . . . . 61 GLY N . 27095 1 692 . 1 . 1 62 62 THR C C 13 172.812 0.010 . 1 . . . . . 62 THR C . 27095 1 693 . 1 . 1 62 62 THR CA C 13 59.649 0.065 . 1 . . . . . 62 THR CA . 27095 1 694 . 1 . 1 62 62 THR CB C 13 72.637 0.101 . 1 . . . . . 62 THR CB . 27095 1 695 . 1 . 1 62 62 THR CG2 C 13 21.773 0.028 . 1 . . . . . 62 THR CG2 . 27095 1 696 . 1 . 1 62 62 THR H H 1 7.559 0.002 . 1 . . . . . 62 THR H . 27095 1 697 . 1 . 1 62 62 THR HA H 1 5.187 0.005 . 1 . . . . . 62 THR HA . 27095 1 698 . 1 . 1 62 62 THR HB H 1 4.082 0.008 . 1 . . . . . 62 THR HB . 27095 1 699 . 1 . 1 62 62 THR HG21 H 1 1.058 0.004 . 1 . . . . . 62 THR HG21 . 27095 1 700 . 1 . 1 62 62 THR HG22 H 1 1.058 0.004 . 1 . . . . . 62 THR HG22 . 27095 1 701 . 1 . 1 62 62 THR HG23 H 1 1.058 0.004 . 1 . . . . . 62 THR HG23 . 27095 1 702 . 1 . 1 62 62 THR N N 15 110.958 0.019 . 1 . . . . . 62 THR N . 27095 1 703 . 1 . 1 63 63 ILE C C 13 174.399 0.007 . 1 . . . . . 63 ILE C . 27095 1 704 . 1 . 1 63 63 ILE CA C 13 59.873 0.091 . 1 . . . . . 63 ILE CA . 27095 1 705 . 1 . 1 63 63 ILE CB C 13 41.771 0.089 . 1 . . . . . 63 ILE CB . 27095 1 706 . 1 . 1 63 63 ILE CD1 C 13 15.575 0.069 . 1 . . . . . 63 ILE CD1 . 27095 1 707 . 1 . 1 63 63 ILE CG1 C 13 27.249 0.049 . 1 . . . . . 63 ILE CG1 . 27095 1 708 . 1 . 1 63 63 ILE CG2 C 13 17.774 0.048 . 1 . . . . . 63 ILE CG2 . 27095 1 709 . 1 . 1 63 63 ILE H H 1 8.905 0.004 . 1 . . . . . 63 ILE H . 27095 1 710 . 1 . 1 63 63 ILE HA H 1 4.601 0.005 . 1 . . . . . 63 ILE HA . 27095 1 711 . 1 . 1 63 63 ILE HB H 1 1.776 0.003 . 1 . . . . . 63 ILE HB . 27095 1 712 . 1 . 1 63 63 ILE HD11 H 1 0.857 0.003 . 1 . . . . . 63 ILE HD11 . 27095 1 713 . 1 . 1 63 63 ILE HD12 H 1 0.857 0.003 . 1 . . . . . 63 ILE HD12 . 27095 1 714 . 1 . 1 63 63 ILE HD13 H 1 0.857 0.003 . 1 . . . . . 63 ILE HD13 . 27095 1 715 . 1 . 1 63 63 ILE HG12 H 1 1.062 0.008 . 2 . . . . . 63 ILE HG12 . 27095 1 716 . 1 . 1 63 63 ILE HG13 H 1 1.528 0.004 . 2 . . . . . 63 ILE HG13 . 27095 1 717 . 1 . 1 63 63 ILE HG21 H 1 1.076 0.004 . 1 . . . . . 63 ILE HG21 . 27095 1 718 . 1 . 1 63 63 ILE HG22 H 1 1.076 0.004 . 1 . . . . . 63 ILE HG22 . 27095 1 719 . 1 . 1 63 63 ILE HG23 H 1 1.076 0.004 . 1 . . . . . 63 ILE HG23 . 27095 1 720 . 1 . 1 63 63 ILE N N 15 119.045 0.034 . 1 . . . . . 63 ILE N . 27095 1 721 . 1 . 1 64 64 ASP C C 13 176.192 0.045 . 1 . . . . . 64 ASP C . 27095 1 722 . 1 . 1 64 64 ASP CA C 13 51.949 0.052 . 1 . . . . . 64 ASP CA . 27095 1 723 . 1 . 1 64 64 ASP CB C 13 42.191 0.052 . 1 . . . . . 64 ASP CB . 27095 1 724 . 1 . 1 64 64 ASP H H 1 8.551 0.005 . 1 . . . . . 64 ASP H . 27095 1 725 . 1 . 1 64 64 ASP HA H 1 5.562 0.004 . 1 . . . . . 64 ASP HA . 27095 1 726 . 1 . 1 64 64 ASP HB2 H 1 2.744 0.008 . 2 . . . . . 64 ASP HB2 . 27095 1 727 . 1 . 1 64 64 ASP HB3 H 1 3.171 0.008 . 2 . . . . . 64 ASP HB3 . 27095 1 728 . 1 . 1 64 64 ASP N N 15 124.712 0.061 . 1 . . . . . 64 ASP N . 27095 1 729 . 1 . 1 65 65 PHE C C 13 173.710 0.000 . 1 . . . . . 65 PHE C . 27095 1 730 . 1 . 1 65 65 PHE CA C 13 62.874 0.057 . 1 . . . . . 65 PHE CA . 27095 1 731 . 1 . 1 65 65 PHE CB C 13 36.490 0.041 . 1 . . . . . 65 PHE CB . 27095 1 732 . 1 . 1 65 65 PHE CD1 C 13 131.960 0.001 . 1 . . . . . 65 PHE CD1 . 27095 1 733 . 1 . 1 65 65 PHE CD2 C 13 131.960 0.001 . 1 . . . . . 65 PHE CD2 . 27095 1 734 . 1 . 1 65 65 PHE CE1 C 13 130.673 0.025 . 1 . . . . . 65 PHE CE1 . 27095 1 735 . 1 . 1 65 65 PHE CE2 C 13 130.673 0.025 . 1 . . . . . 65 PHE CE2 . 27095 1 736 . 1 . 1 65 65 PHE CZ C 13 129.563 0.024 . 1 . . . . . 65 PHE CZ . 27095 1 737 . 1 . 1 65 65 PHE H H 1 8.644 0.003 . 1 . . . . . 65 PHE H . 27095 1 738 . 1 . 1 65 65 PHE HA H 1 3.802 0.004 . 1 . . . . . 65 PHE HA . 27095 1 739 . 1 . 1 65 65 PHE HB2 H 1 2.411 0.004 . 2 . . . . . 65 PHE HB2 . 27095 1 740 . 1 . 1 65 65 PHE HB3 H 1 2.936 0.006 . 2 . . . . . 65 PHE HB3 . 27095 1 741 . 1 . 1 65 65 PHE HD1 H 1 6.438 0.002 . 1 . . . . . 65 PHE HD1 . 27095 1 742 . 1 . 1 65 65 PHE HD2 H 1 6.438 0.002 . 1 . . . . . 65 PHE HD2 . 27095 1 743 . 1 . 1 65 65 PHE HE1 H 1 7.118 0.003 . 1 . . . . . 65 PHE HE1 . 27095 1 744 . 1 . 1 65 65 PHE HE2 H 1 7.118 0.003 . 1 . . . . . 65 PHE HE2 . 27095 1 745 . 1 . 1 65 65 PHE HZ H 1 7.379 0.003 . 1 . . . . . 65 PHE HZ . 27095 1 746 . 1 . 1 65 65 PHE N N 15 118.917 0.027 . 1 . . . . . 65 PHE N . 27095 1 747 . 1 . 1 66 66 PRO C C 13 179.885 0.005 . 1 . . . . . 66 PRO C . 27095 1 748 . 1 . 1 66 66 PRO CA C 13 66.599 0.084 . 1 . . . . . 66 PRO CA . 27095 1 749 . 1 . 1 66 66 PRO CB C 13 30.653 0.030 . 1 . . . . . 66 PRO CB . 27095 1 750 . 1 . 1 66 66 PRO CD C 13 49.499 0.024 . 1 . . . . . 66 PRO CD . 27095 1 751 . 1 . 1 66 66 PRO CG C 13 28.527 0.080 . 1 . . . . . 66 PRO CG . 27095 1 752 . 1 . 1 66 66 PRO HA H 1 3.870 0.007 . 1 . . . . . 66 PRO HA . 27095 1 753 . 1 . 1 66 66 PRO HB2 H 1 1.897 0.006 . 2 . . . . . 66 PRO HB2 . 27095 1 754 . 1 . 1 66 66 PRO HB3 H 1 2.229 0.014 . 2 . . . . . 66 PRO HB3 . 27095 1 755 . 1 . 1 66 66 PRO HD2 H 1 3.827 0.005 . 1 . . . . . 66 PRO HD2 . 27095 1 756 . 1 . 1 66 66 PRO HG2 H 1 1.897 0.005 . 2 . . . . . 66 PRO HG2 . 27095 1 757 . 1 . 1 66 66 PRO HG3 H 1 2.191 0.015 . 2 . . . . . 66 PRO HG3 . 27095 1 758 . 1 . 1 67 67 GLU C C 13 179.070 0.035 . 1 . . . . . 67 GLU C . 27095 1 759 . 1 . 1 67 67 GLU CA C 13 59.192 0.082 . 1 . . . . . 67 GLU CA . 27095 1 760 . 1 . 1 67 67 GLU CB C 13 29.482 0.057 . 1 . . . . . 67 GLU CB . 27095 1 761 . 1 . 1 67 67 GLU CG C 13 36.192 0.065 . 1 . . . . . 67 GLU CG . 27095 1 762 . 1 . 1 67 67 GLU H H 1 8.066 0.003 . 1 . . . . . 67 GLU H . 27095 1 763 . 1 . 1 67 67 GLU HA H 1 4.032 0.003 . 1 . . . . . 67 GLU HA . 27095 1 764 . 1 . 1 67 67 GLU HB2 H 1 1.954 0.004 . 2 . . . . . 67 GLU HB2 . 27095 1 765 . 1 . 1 67 67 GLU HB3 H 1 2.492 0.004 . 2 . . . . . 67 GLU HB3 . 27095 1 766 . 1 . 1 67 67 GLU HG2 H 1 2.405 0.008 . 2 . . . . . 67 GLU HG2 . 27095 1 767 . 1 . 1 67 67 GLU HG3 H 1 2.624 0.006 . 2 . . . . . 67 GLU HG3 . 27095 1 768 . 1 . 1 67 67 GLU N N 15 117.877 0.078 . 1 . . . . . 67 GLU N . 27095 1 769 . 1 . 1 68 68 PHE C C 13 176.770 0.024 . 1 . . . . . 68 PHE C . 27095 1 770 . 1 . 1 68 68 PHE CA C 13 61.412 0.074 . 1 . . . . . 68 PHE CA . 27095 1 771 . 1 . 1 68 68 PHE CB C 13 39.500 0.031 . 1 . . . . . 68 PHE CB . 27095 1 772 . 1 . 1 68 68 PHE CD1 C 13 131.555 0.012 . 1 . . . . . 68 PHE CD1 . 27095 1 773 . 1 . 1 68 68 PHE CD2 C 13 131.555 0.012 . 1 . . . . . 68 PHE CD2 . 27095 1 774 . 1 . 1 68 68 PHE CE1 C 13 129.194 0.000 . 1 . . . . . 68 PHE CE1 . 27095 1 775 . 1 . 1 68 68 PHE CE2 C 13 129.194 0.000 . 1 . . . . . 68 PHE CE2 . 27095 1 776 . 1 . 1 68 68 PHE H H 1 8.460 0.004 . 1 . . . . . 68 PHE H . 27095 1 777 . 1 . 1 68 68 PHE HA H 1 4.066 0.006 . 1 . . . . . 68 PHE HA . 27095 1 778 . 1 . 1 68 68 PHE HB2 H 1 3.089 0.005 . 2 . . . . . 68 PHE HB2 . 27095 1 779 . 1 . 1 68 68 PHE HB3 H 1 3.202 0.011 . 2 . . . . . 68 PHE HB3 . 27095 1 780 . 1 . 1 68 68 PHE HD1 H 1 6.913 0.005 . 1 . . . . . 68 PHE HD1 . 27095 1 781 . 1 . 1 68 68 PHE HD2 H 1 6.913 0.005 . 1 . . . . . 68 PHE HD2 . 27095 1 782 . 1 . 1 68 68 PHE HE1 H 1 7.067 0.004 . 1 . . . . . 68 PHE HE1 . 27095 1 783 . 1 . 1 68 68 PHE HE2 H 1 7.067 0.004 . 1 . . . . . 68 PHE HE2 . 27095 1 784 . 1 . 1 68 68 PHE HZ H 1 6.958 0.003 . 1 . . . . . 68 PHE HZ . 27095 1 785 . 1 . 1 68 68 PHE N N 15 122.640 0.016 . 1 . . . . . 68 PHE N . 27095 1 786 . 1 . 1 69 69 LEU C C 13 179.317 0.004 . 1 . . . . . 69 LEU C . 27095 1 787 . 1 . 1 69 69 LEU CA C 13 57.761 0.088 . 1 . . . . . 69 LEU CA . 27095 1 788 . 1 . 1 69 69 LEU CB C 13 41.076 0.055 . 1 . . . . . 69 LEU CB . 27095 1 789 . 1 . 1 69 69 LEU CD1 C 13 25.646 0.031 . 2 . . . . . 69 LEU CD1 . 27095 1 790 . 1 . 1 69 69 LEU CD2 C 13 24.132 0.045 . 2 . . . . . 69 LEU CD2 . 27095 1 791 . 1 . 1 69 69 LEU CG C 13 25.650 0.041 . 1 . . . . . 69 LEU CG . 27095 1 792 . 1 . 1 69 69 LEU H H 1 8.458 0.004 . 1 . . . . . 69 LEU H . 27095 1 793 . 1 . 1 69 69 LEU HA H 1 3.328 0.004 . 1 . . . . . 69 LEU HA . 27095 1 794 . 1 . 1 69 69 LEU HB2 H 1 1.182 0.005 . 2 . . . . . 69 LEU HB2 . 27095 1 795 . 1 . 1 69 69 LEU HB3 H 1 1.437 0.005 . 2 . . . . . 69 LEU HB3 . 27095 1 796 . 1 . 1 69 69 LEU HD11 H 1 0.670 0.005 . 2 . . . . . 69 LEU HD11 . 27095 1 797 . 1 . 1 69 69 LEU HD12 H 1 0.670 0.005 . 2 . . . . . 69 LEU HD12 . 27095 1 798 . 1 . 1 69 69 LEU HD13 H 1 0.670 0.005 . 2 . . . . . 69 LEU HD13 . 27095 1 799 . 1 . 1 69 69 LEU HD21 H 1 0.719 0.003 . 2 . . . . . 69 LEU HD21 . 27095 1 800 . 1 . 1 69 69 LEU HD22 H 1 0.719 0.003 . 2 . . . . . 69 LEU HD22 . 27095 1 801 . 1 . 1 69 69 LEU HD23 H 1 0.719 0.003 . 2 . . . . . 69 LEU HD23 . 27095 1 802 . 1 . 1 69 69 LEU HG H 1 0.930 0.004 . 1 . . . . . 69 LEU HG . 27095 1 803 . 1 . 1 69 69 LEU N N 15 118.851 0.016 . 1 . . . . . 69 LEU N . 27095 1 804 . 1 . 1 70 70 THR C C 13 176.584 0.019 . 1 . . . . . 70 THR C . 27095 1 805 . 1 . 1 70 70 THR CA C 13 66.482 0.060 . 1 . . . . . 70 THR CA . 27095 1 806 . 1 . 1 70 70 THR CB C 13 68.414 0.067 . 1 . . . . . 70 THR CB . 27095 1 807 . 1 . 1 70 70 THR CG2 C 13 21.871 0.038 . 1 . . . . . 70 THR CG2 . 27095 1 808 . 1 . 1 70 70 THR H H 1 7.729 0.003 . 1 . . . . . 70 THR H . 27095 1 809 . 1 . 1 70 70 THR HA H 1 3.776 0.004 . 1 . . . . . 70 THR HA . 27095 1 810 . 1 . 1 70 70 THR HB H 1 4.264 0.006 . 1 . . . . . 70 THR HB . 27095 1 811 . 1 . 1 70 70 THR HG21 H 1 1.179 0.004 . 1 . . . . . 70 THR HG21 . 27095 1 812 . 1 . 1 70 70 THR HG22 H 1 1.179 0.004 . 1 . . . . . 70 THR HG22 . 27095 1 813 . 1 . 1 70 70 THR HG23 H 1 1.179 0.004 . 1 . . . . . 70 THR HG23 . 27095 1 814 . 1 . 1 70 70 THR N N 15 115.696 0.018 . 1 . . . . . 70 THR N . 27095 1 815 . 1 . 1 71 71 MET C C 13 178.596 0.011 . 1 . . . . . 71 MET C . 27095 1 816 . 1 . 1 71 71 MET CA C 13 58.957 0.073 . 1 . . . . . 71 MET CA . 27095 1 817 . 1 . 1 71 71 MET CB C 13 32.519 0.083 . 1 . . . . . 71 MET CB . 27095 1 818 . 1 . 1 71 71 MET CE C 13 18.223 0.011 . 1 . . . . . 71 MET CE . 27095 1 819 . 1 . 1 71 71 MET CG C 13 32.331 0.044 . 1 . . . . . 71 MET CG . 27095 1 820 . 1 . 1 71 71 MET H H 1 7.740 0.002 . 1 . . . . . 71 MET H . 27095 1 821 . 1 . 1 71 71 MET HA H 1 3.922 0.006 . 1 . . . . . 71 MET HA . 27095 1 822 . 1 . 1 71 71 MET HB2 H 1 1.929 0.000 . 2 . . . . . 71 MET HB2 . 27095 1 823 . 1 . 1 71 71 MET HB3 H 1 2.014 0.001 . 2 . . . . . 71 MET HB3 . 27095 1 824 . 1 . 1 71 71 MET HE1 H 1 1.923 0.002 . 1 . . . . . 71 MET HE1 . 27095 1 825 . 1 . 1 71 71 MET HE2 H 1 1.923 0.002 . 1 . . . . . 71 MET HE2 . 27095 1 826 . 1 . 1 71 71 MET HE3 H 1 1.923 0.002 . 1 . . . . . 71 MET HE3 . 27095 1 827 . 1 . 1 71 71 MET HG2 H 1 2.366 0.008 . 2 . . . . . 71 MET HG2 . 27095 1 828 . 1 . 1 71 71 MET HG3 H 1 2.601 0.004 . 2 . . . . . 71 MET HG3 . 27095 1 829 . 1 . 1 71 71 MET N N 15 121.623 0.026 . 1 . . . . . 71 MET N . 27095 1 830 . 1 . 1 72 72 MET C C 13 178.587 0.034 . 1 . . . . . 72 MET C . 27095 1 831 . 1 . 1 72 72 MET CA C 13 55.893 0.081 . 1 . . . . . 72 MET CA . 27095 1 832 . 1 . 1 72 72 MET CB C 13 30.889 0.055 . 1 . . . . . 72 MET CB . 27095 1 833 . 1 . 1 72 72 MET CE C 13 17.068 0.028 . 1 . . . . . 72 MET CE . 27095 1 834 . 1 . 1 72 72 MET CG C 13 31.921 0.074 . 1 . . . . . 72 MET CG . 27095 1 835 . 1 . 1 72 72 MET H H 1 8.029 0.004 . 1 . . . . . 72 MET H . 27095 1 836 . 1 . 1 72 72 MET HA H 1 4.014 0.005 . 1 . . . . . 72 MET HA . 27095 1 837 . 1 . 1 72 72 MET HB2 H 1 1.313 0.001 . 2 . . . . . 72 MET HB2 . 27095 1 838 . 1 . 1 72 72 MET HB3 H 1 1.471 0.001 . 2 . . . . . 72 MET HB3 . 27095 1 839 . 1 . 1 72 72 MET HE1 H 1 1.401 0.001 . 1 . . . . . 72 MET HE1 . 27095 1 840 . 1 . 1 72 72 MET HE2 H 1 1.401 0.001 . 1 . . . . . 72 MET HE2 . 27095 1 841 . 1 . 1 72 72 MET HE3 H 1 1.401 0.001 . 1 . . . . . 72 MET HE3 . 27095 1 842 . 1 . 1 72 72 MET HG2 H 1 1.001 0.009 . 2 . . . . . 72 MET HG2 . 27095 1 843 . 1 . 1 72 72 MET HG3 H 1 1.166 0.006 . 2 . . . . . 72 MET HG3 . 27095 1 844 . 1 . 1 72 72 MET N N 15 117.748 0.015 . 1 . . . . . 72 MET N . 27095 1 845 . 1 . 1 73 73 ALA C C 13 179.798 0.014 . 1 . . . . . 73 ALA C . 27095 1 846 . 1 . 1 73 73 ALA CA C 13 54.921 0.056 . 1 . . . . . 73 ALA CA . 27095 1 847 . 1 . 1 73 73 ALA CB C 13 18.040 0.084 . 1 . . . . . 73 ALA CB . 27095 1 848 . 1 . 1 73 73 ALA H H 1 8.317 0.005 . 1 . . . . . 73 ALA H . 27095 1 849 . 1 . 1 73 73 ALA HA H 1 3.978 0.003 . 1 . . . . . 73 ALA HA . 27095 1 850 . 1 . 1 73 73 ALA HB1 H 1 1.403 0.003 . 1 . . . . . 73 ALA HB1 . 27095 1 851 . 1 . 1 73 73 ALA HB2 H 1 1.403 0.003 . 1 . . . . . 73 ALA HB2 . 27095 1 852 . 1 . 1 73 73 ALA HB3 H 1 1.403 0.003 . 1 . . . . . 73 ALA HB3 . 27095 1 853 . 1 . 1 73 73 ALA N N 15 121.342 0.045 . 1 . . . . . 73 ALA N . 27095 1 854 . 1 . 1 74 74 ARG C C 13 178.240 0.032 . 1 . . . . . 74 ARG C . 27095 1 855 . 1 . 1 74 74 ARG CA C 13 58.679 0.087 . 1 . . . . . 74 ARG CA . 27095 1 856 . 1 . 1 74 74 ARG CB C 13 30.270 0.034 . 1 . . . . . 74 ARG CB . 27095 1 857 . 1 . 1 74 74 ARG CD C 13 43.540 0.036 . 1 . . . . . 74 ARG CD . 27095 1 858 . 1 . 1 74 74 ARG CG C 13 27.353 0.051 . 1 . . . . . 74 ARG CG . 27095 1 859 . 1 . 1 74 74 ARG H H 1 7.475 0.003 . 1 . . . . . 74 ARG H . 27095 1 860 . 1 . 1 74 74 ARG HA H 1 4.036 0.005 . 1 . . . . . 74 ARG HA . 27095 1 861 . 1 . 1 74 74 ARG HB2 H 1 1.905 0.004 . 1 . . . . . 74 ARG HB2 . 27095 1 862 . 1 . 1 74 74 ARG HD2 H 1 3.142 0.003 . 1 . . . . . 74 ARG HD2 . 27095 1 863 . 1 . 1 74 74 ARG HG2 H 1 1.615 0.005 . 2 . . . . . 74 ARG HG2 . 27095 1 864 . 1 . 1 74 74 ARG HG3 H 1 1.757 0.003 . 2 . . . . . 74 ARG HG3 . 27095 1 865 . 1 . 1 74 74 ARG N N 15 116.803 0.016 . 1 . . . . . 74 ARG N . 27095 1 866 . 1 . 1 75 75 LYS C C 13 177.826 0.029 . 1 . . . . . 75 LYS C . 27095 1 867 . 1 . 1 75 75 LYS CA C 13 56.642 0.064 . 1 . . . . . 75 LYS CA . 27095 1 868 . 1 . 1 75 75 LYS CB C 13 31.777 0.051 . 1 . . . . . 75 LYS CB . 27095 1 869 . 1 . 1 75 75 LYS CD C 13 28.066 0.075 . 1 . . . . . 75 LYS CD . 27095 1 870 . 1 . 1 75 75 LYS CE C 13 41.634 0.020 . 1 . . . . . 75 LYS CE . 27095 1 871 . 1 . 1 75 75 LYS CG C 13 24.281 0.047 . 1 . . . . . 75 LYS CG . 27095 1 872 . 1 . 1 75 75 LYS H H 1 7.712 0.003 . 1 . . . . . 75 LYS H . 27095 1 873 . 1 . 1 75 75 LYS HA H 1 4.200 0.003 . 1 . . . . . 75 LYS HA . 27095 1 874 . 1 . 1 75 75 LYS HB2 H 1 1.764 0.008 . 2 . . . . . 75 LYS HB2 . 27095 1 875 . 1 . 1 75 75 LYS HB3 H 1 1.900 0.004 . 2 . . . . . 75 LYS HB3 . 27095 1 876 . 1 . 1 75 75 LYS HD2 H 1 1.578 0.006 . 2 . . . . . 75 LYS HD2 . 27095 1 877 . 1 . 1 75 75 LYS HD3 H 1 1.677 0.006 . 2 . . . . . 75 LYS HD3 . 27095 1 878 . 1 . 1 75 75 LYS HE2 H 1 2.812 0.004 . 2 . . . . . 75 LYS HE2 . 27095 1 879 . 1 . 1 75 75 LYS HE3 H 1 2.919 0.004 . 2 . . . . . 75 LYS HE3 . 27095 1 880 . 1 . 1 75 75 LYS HG2 H 1 1.413 0.003 . 1 . . . . . 75 LYS HG2 . 27095 1 881 . 1 . 1 75 75 LYS N N 15 118.390 0.033 . 1 . . . . . 75 LYS N . 27095 1 882 . 1 . 1 76 76 MET C C 13 176.563 0.025 . 1 . . . . . 76 MET C . 27095 1 883 . 1 . 1 76 76 MET CA C 13 56.400 0.080 . 1 . . . . . 76 MET CA . 27095 1 884 . 1 . 1 76 76 MET CB C 13 32.913 0.069 . 1 . . . . . 76 MET CB . 27095 1 885 . 1 . 1 76 76 MET CE C 13 17.008 0.019 . 1 . . . . . 76 MET CE . 27095 1 886 . 1 . 1 76 76 MET CG C 13 32.277 0.042 . 1 . . . . . 76 MET CG . 27095 1 887 . 1 . 1 76 76 MET H H 1 7.923 0.003 . 1 . . . . . 76 MET H . 27095 1 888 . 1 . 1 76 76 MET HA H 1 4.306 0.005 . 1 . . . . . 76 MET HA . 27095 1 889 . 1 . 1 76 76 MET HB2 H 1 2.008 0.005 . 2 . . . . . 76 MET HB2 . 27095 1 890 . 1 . 1 76 76 MET HB3 H 1 2.191 0.004 . 2 . . . . . 76 MET HB3 . 27095 1 891 . 1 . 1 76 76 MET HE1 H 1 2.085 0.002 . 1 . . . . . 76 MET HE1 . 27095 1 892 . 1 . 1 76 76 MET HE2 H 1 2.085 0.002 . 1 . . . . . 76 MET HE2 . 27095 1 893 . 1 . 1 76 76 MET HE3 H 1 2.085 0.002 . 1 . . . . . 76 MET HE3 . 27095 1 894 . 1 . 1 76 76 MET HG2 H 1 2.599 0.002 . 2 . . . . . 76 MET HG2 . 27095 1 895 . 1 . 1 76 76 MET HG3 H 1 2.638 0.000 . 2 . . . . . 76 MET HG3 . 27095 1 896 . 1 . 1 76 76 MET N N 15 117.645 0.042 . 1 . . . . . 76 MET N . 27095 1 897 . 1 . 1 77 77 LYS C C 13 176.419 0.023 . 1 . . . . . 77 LYS C . 27095 1 898 . 1 . 1 77 77 LYS CA C 13 56.835 0.071 . 1 . . . . . 77 LYS CA . 27095 1 899 . 1 . 1 77 77 LYS CB C 13 33.018 0.044 . 1 . . . . . 77 LYS CB . 27095 1 900 . 1 . 1 77 77 LYS CD C 13 29.150 0.009 . 1 . . . . . 77 LYS CD . 27095 1 901 . 1 . 1 77 77 LYS CE C 13 41.980 0.000 . 1 . . . . . 77 LYS CE . 27095 1 902 . 1 . 1 77 77 LYS CG C 13 24.514 0.000 . 1 . . . . . 77 LYS CG . 27095 1 903 . 1 . 1 77 77 LYS H H 1 7.674 0.002 . 1 . . . . . 77 LYS H . 27095 1 904 . 1 . 1 77 77 LYS HA H 1 4.284 0.005 . 1 . . . . . 77 LYS HA . 27095 1 905 . 1 . 1 77 77 LYS HB2 H 1 1.863 0.000 . 1 . . . . . 77 LYS HB2 . 27095 1 906 . 1 . 1 77 77 LYS HD2 H 1 1.686 0.000 . 1 . . . . . 77 LYS HD2 . 27095 1 907 . 1 . 1 77 77 LYS HE2 H 1 2.992 0.000 . 1 . . . . . 77 LYS HE2 . 27095 1 908 . 1 . 1 77 77 LYS HG2 H 1 1.468 0.001 . 1 . . . . . 77 LYS HG2 . 27095 1 909 . 1 . 1 77 77 LYS N N 15 120.565 0.004 . 1 . . . . . 77 LYS N . 27095 1 910 . 1 . 1 78 78 ASP C C 13 176.307 0.044 . 1 . . . . . 78 ASP C . 27095 1 911 . 1 . 1 78 78 ASP CA C 13 54.588 0.041 . 1 . . . . . 78 ASP CA . 27095 1 912 . 1 . 1 78 78 ASP CB C 13 41.102 0.016 . 1 . . . . . 78 ASP CB . 27095 1 913 . 1 . 1 78 78 ASP H H 1 8.266 0.003 . 1 . . . . . 78 ASP H . 27095 1 914 . 1 . 1 78 78 ASP HA H 1 4.670 0.003 . 1 . . . . . 78 ASP HA . 27095 1 915 . 1 . 1 78 78 ASP HB2 H 1 2.648 0.003 . 2 . . . . . 78 ASP HB2 . 27095 1 916 . 1 . 1 78 78 ASP HB3 H 1 2.755 0.007 . 2 . . . . . 78 ASP HB3 . 27095 1 917 . 1 . 1 78 78 ASP N N 15 121.708 0.015 . 1 . . . . . 78 ASP N . 27095 1 918 . 1 . 1 79 79 THR C C 13 174.011 0.022 . 1 . . . . . 79 THR C . 27095 1 919 . 1 . 1 79 79 THR CA C 13 62.018 0.106 . 1 . . . . . 79 THR CA . 27095 1 920 . 1 . 1 79 79 THR CB C 13 69.952 0.077 . 1 . . . . . 79 THR CB . 27095 1 921 . 1 . 1 79 79 THR CG2 C 13 21.570 0.024 . 1 . . . . . 79 THR CG2 . 27095 1 922 . 1 . 1 79 79 THR H H 1 7.981 0.002 . 1 . . . . . 79 THR H . 27095 1 923 . 1 . 1 79 79 THR HA H 1 4.295 0.002 . 1 . . . . . 79 THR HA . 27095 1 924 . 1 . 1 79 79 THR HB H 1 4.191 0.004 . 1 . . . . . 79 THR HB . 27095 1 925 . 1 . 1 79 79 THR HG21 H 1 1.181 0.004 . 1 . . . . . 79 THR HG21 . 27095 1 926 . 1 . 1 79 79 THR HG22 H 1 1.181 0.004 . 1 . . . . . 79 THR HG22 . 27095 1 927 . 1 . 1 79 79 THR HG23 H 1 1.181 0.004 . 1 . . . . . 79 THR HG23 . 27095 1 928 . 1 . 1 79 79 THR N N 15 114.405 0.006 . 1 . . . . . 79 THR N . 27095 1 929 . 1 . 1 80 80 ASP C C 13 175.928 0.036 . 1 . . . . . 80 ASP C . 27095 1 930 . 1 . 1 80 80 ASP CA C 13 54.388 0.085 . 1 . . . . . 80 ASP CA . 27095 1 931 . 1 . 1 80 80 ASP CB C 13 41.778 0.036 . 1 . . . . . 80 ASP CB . 27095 1 932 . 1 . 1 80 80 ASP H H 1 8.248 0.002 . 1 . . . . . 80 ASP H . 27095 1 933 . 1 . 1 80 80 ASP HA H 1 4.729 0.004 . 1 . . . . . 80 ASP HA . 27095 1 934 . 1 . 1 80 80 ASP HB2 H 1 2.600 0.001 . 2 . . . . . 80 ASP HB2 . 27095 1 935 . 1 . 1 80 80 ASP HB3 H 1 2.647 0.001 . 2 . . . . . 80 ASP HB3 . 27095 1 936 . 1 . 1 80 80 ASP N N 15 122.779 0.012 . 1 . . . . . 80 ASP N . 27095 1 937 . 1 . 1 81 81 SER C C 13 175.006 0.030 . 1 . . . . . 81 SER C . 27095 1 938 . 1 . 1 81 81 SER CA C 13 58.486 0.114 . 1 . . . . . 81 SER CA . 27095 1 939 . 1 . 1 81 81 SER CB C 13 64.375 0.057 . 1 . . . . . 81 SER CB . 27095 1 940 . 1 . 1 81 81 SER H H 1 8.557 0.001 . 1 . . . . . 81 SER H . 27095 1 941 . 1 . 1 81 81 SER HA H 1 4.447 0.002 . 1 . . . . . 81 SER HA . 27095 1 942 . 1 . 1 81 81 SER HB2 H 1 3.953 0.008 . 2 . . . . . 81 SER HB2 . 27095 1 943 . 1 . 1 81 81 SER HB3 H 1 4.136 0.003 . 2 . . . . . 81 SER HB3 . 27095 1 944 . 1 . 1 81 81 SER N N 15 117.341 0.010 . 1 . . . . . 81 SER N . 27095 1 945 . 1 . 1 82 82 GLU C C 13 177.697 0.030 . 1 . . . . . 82 GLU C . 27095 1 946 . 1 . 1 82 82 GLU CA C 13 60.013 0.105 . 1 . . . . . 82 GLU CA . 27095 1 947 . 1 . 1 82 82 GLU CB C 13 29.732 0.081 . 1 . . . . . 82 GLU CB . 27095 1 948 . 1 . 1 82 82 GLU CG C 13 36.217 0.014 . 1 . . . . . 82 GLU CG . 27095 1 949 . 1 . 1 82 82 GLU H H 1 8.791 0.003 . 1 . . . . . 82 GLU H . 27095 1 950 . 1 . 1 82 82 GLU HA H 1 3.844 0.005 . 1 . . . . . 82 GLU HA . 27095 1 951 . 1 . 1 82 82 GLU HB2 H 1 2.024 0.002 . 2 . . . . . 82 GLU HB2 . 27095 1 952 . 1 . 1 82 82 GLU HB3 H 1 2.154 0.000 . 2 . . . . . 82 GLU HB3 . 27095 1 953 . 1 . 1 82 82 GLU HG2 H 1 2.182 0.003 . 2 . . . . . 82 GLU HG2 . 27095 1 954 . 1 . 1 82 82 GLU HG3 H 1 2.241 0.007 . 2 . . . . . 82 GLU HG3 . 27095 1 955 . 1 . 1 82 82 GLU N N 15 122.617 0.013 . 1 . . . . . 82 GLU N . 27095 1 956 . 1 . 1 83 83 GLU C C 13 178.453 0.001 . 1 . . . . . 83 GLU C . 27095 1 957 . 1 . 1 83 83 GLU CA C 13 59.511 0.032 . 1 . . . . . 83 GLU CA . 27095 1 958 . 1 . 1 83 83 GLU CB C 13 29.324 0.116 . 1 . . . . . 83 GLU CB . 27095 1 959 . 1 . 1 83 83 GLU CG C 13 36.003 0.011 . 1 . . . . . 83 GLU CG . 27095 1 960 . 1 . 1 83 83 GLU H H 1 8.355 0.003 . 1 . . . . . 83 GLU H . 27095 1 961 . 1 . 1 83 83 GLU HA H 1 4.057 0.001 . 1 . . . . . 83 GLU HA . 27095 1 962 . 1 . 1 83 83 GLU HG2 H 1 2.336 0.001 . 1 . . . . . 83 GLU HG2 . 27095 1 963 . 1 . 1 83 83 GLU N N 15 117.948 0.041 . 1 . . . . . 83 GLU N . 27095 1 964 . 1 . 1 84 84 GLU C C 13 179.428 0.022 . 1 . . . . . 84 GLU C . 27095 1 965 . 1 . 1 84 84 GLU CA C 13 59.317 0.065 . 1 . . . . . 84 GLU CA . 27095 1 966 . 1 . 1 84 84 GLU CB C 13 29.864 0.039 . 1 . . . . . 84 GLU CB . 27095 1 967 . 1 . 1 84 84 GLU CG C 13 37.131 0.006 . 1 . . . . . 84 GLU CG . 27095 1 968 . 1 . 1 84 84 GLU H H 1 7.857 0.002 . 1 . . . . . 84 GLU H . 27095 1 969 . 1 . 1 84 84 GLU HA H 1 4.012 0.006 . 1 . . . . . 84 GLU HA . 27095 1 970 . 1 . 1 84 84 GLU HB2 H 1 2.053 0.004 . 2 . . . . . 84 GLU HB2 . 27095 1 971 . 1 . 1 84 84 GLU HB3 H 1 2.186 0.002 . 2 . . . . . 84 GLU HB3 . 27095 1 972 . 1 . 1 84 84 GLU HG2 H 1 2.301 0.000 . 1 . . . . . 84 GLU HG2 . 27095 1 973 . 1 . 1 84 84 GLU N N 15 119.000 0.016 . 1 . . . . . 84 GLU N . 27095 1 974 . 1 . 1 85 85 ILE C C 13 177.560 0.012 . 1 . . . . . 85 ILE C . 27095 1 975 . 1 . 1 85 85 ILE CA C 13 64.857 0.039 . 1 . . . . . 85 ILE CA . 27095 1 976 . 1 . 1 85 85 ILE CB C 13 38.067 0.057 . 1 . . . . . 85 ILE CB . 27095 1 977 . 1 . 1 85 85 ILE CD1 C 13 14.619 0.031 . 1 . . . . . 85 ILE CD1 . 27095 1 978 . 1 . 1 85 85 ILE CG1 C 13 29.168 0.026 . 1 . . . . . 85 ILE CG1 . 27095 1 979 . 1 . 1 85 85 ILE CG2 C 13 19.666 0.052 . 1 . . . . . 85 ILE CG2 . 27095 1 980 . 1 . 1 85 85 ILE H H 1 8.038 0.003 . 1 . . . . . 85 ILE H . 27095 1 981 . 1 . 1 85 85 ILE HA H 1 3.654 0.005 . 1 . . . . . 85 ILE HA . 27095 1 982 . 1 . 1 85 85 ILE HB H 1 1.876 0.004 . 1 . . . . . 85 ILE HB . 27095 1 983 . 1 . 1 85 85 ILE HD11 H 1 0.756 0.003 . 1 . . . . . 85 ILE HD11 . 27095 1 984 . 1 . 1 85 85 ILE HD12 H 1 0.756 0.003 . 1 . . . . . 85 ILE HD12 . 27095 1 985 . 1 . 1 85 85 ILE HD13 H 1 0.756 0.003 . 1 . . . . . 85 ILE HD13 . 27095 1 986 . 1 . 1 85 85 ILE HG12 H 1 0.796 0.007 . 2 . . . . . 85 ILE HG12 . 27095 1 987 . 1 . 1 85 85 ILE HG13 H 1 1.834 0.004 . 2 . . . . . 85 ILE HG13 . 27095 1 988 . 1 . 1 85 85 ILE HG21 H 1 1.040 0.004 . 1 . . . . . 85 ILE HG21 . 27095 1 989 . 1 . 1 85 85 ILE HG22 H 1 1.040 0.004 . 1 . . . . . 85 ILE HG22 . 27095 1 990 . 1 . 1 85 85 ILE HG23 H 1 1.040 0.004 . 1 . . . . . 85 ILE HG23 . 27095 1 991 . 1 . 1 85 85 ILE N N 15 119.679 0.033 . 1 . . . . . 85 ILE N . 27095 1 992 . 1 . 1 86 86 ARG C C 13 178.361 0.037 . 1 . . . . . 86 ARG C . 27095 1 993 . 1 . 1 86 86 ARG CA C 13 61.478 0.083 . 1 . . . . . 86 ARG CA . 27095 1 994 . 1 . 1 86 86 ARG CB C 13 30.499 0.074 . 1 . . . . . 86 ARG CB . 27095 1 995 . 1 . 1 86 86 ARG CD C 13 43.156 0.067 . 1 . . . . . 86 ARG CD . 27095 1 996 . 1 . 1 86 86 ARG CG C 13 29.403 0.035 . 1 . . . . . 86 ARG CG . 27095 1 997 . 1 . 1 86 86 ARG H H 1 8.487 0.005 . 1 . . . . . 86 ARG H . 27095 1 998 . 1 . 1 86 86 ARG HA H 1 3.964 0.004 . 1 . . . . . 86 ARG HA . 27095 1 999 . 1 . 1 86 86 ARG HB2 H 1 2.033 0.000 . 2 . . . . . 86 ARG HB2 . 27095 1 1000 . 1 . 1 86 86 ARG HB3 H 1 2.084 0.000 . 2 . . . . . 86 ARG HB3 . 27095 1 1001 . 1 . 1 86 86 ARG HD2 H 1 3.355 0.008 . 1 . . . . . 86 ARG HD2 . 27095 1 1002 . 1 . 1 86 86 ARG HG2 H 1 1.791 0.006 . 2 . . . . . 86 ARG HG2 . 27095 1 1003 . 1 . 1 86 86 ARG HG3 H 1 1.647 0.010 . 2 . . . . . 86 ARG HG3 . 27095 1 1004 . 1 . 1 86 86 ARG N N 15 120.515 0.065 . 1 . . . . . 86 ARG N . 27095 1 1005 . 1 . 1 87 87 GLU C C 13 178.220 0.008 . 1 . . . . . 87 GLU C . 27095 1 1006 . 1 . 1 87 87 GLU CA C 13 58.745 0.077 . 1 . . . . . 87 GLU CA . 27095 1 1007 . 1 . 1 87 87 GLU CB C 13 29.151 0.111 . 1 . . . . . 87 GLU CB . 27095 1 1008 . 1 . 1 87 87 GLU CG C 13 36.201 0.027 . 1 . . . . . 87 GLU CG . 27095 1 1009 . 1 . 1 87 87 GLU H H 1 8.396 0.003 . 1 . . . . . 87 GLU H . 27095 1 1010 . 1 . 1 87 87 GLU HA H 1 3.944 0.003 . 1 . . . . . 87 GLU HA . 27095 1 1011 . 1 . 1 87 87 GLU HG2 H 1 2.377 0.002 . 1 . . . . . 87 GLU HG2 . 27095 1 1012 . 1 . 1 87 87 GLU N N 15 116.498 0.028 . 1 . . . . . 87 GLU N . 27095 1 1013 . 1 . 1 88 88 ALA C C 13 178.870 0.001 . 1 . . . . . 88 ALA C . 27095 1 1014 . 1 . 1 88 88 ALA CA C 13 54.874 0.060 . 1 . . . . . 88 ALA CA . 27095 1 1015 . 1 . 1 88 88 ALA CB C 13 18.363 0.061 . 1 . . . . . 88 ALA CB . 27095 1 1016 . 1 . 1 88 88 ALA H H 1 7.590 0.002 . 1 . . . . . 88 ALA H . 27095 1 1017 . 1 . 1 88 88 ALA HA H 1 4.086 0.007 . 1 . . . . . 88 ALA HA . 27095 1 1018 . 1 . 1 88 88 ALA HB1 H 1 1.568 0.004 . 1 . . . . . 88 ALA HB1 . 27095 1 1019 . 1 . 1 88 88 ALA HB2 H 1 1.568 0.004 . 1 . . . . . 88 ALA HB2 . 27095 1 1020 . 1 . 1 88 88 ALA HB3 H 1 1.568 0.004 . 1 . . . . . 88 ALA HB3 . 27095 1 1021 . 1 . 1 88 88 ALA N N 15 122.272 0.023 . 1 . . . . . 88 ALA N . 27095 1 1022 . 1 . 1 89 89 PHE C C 13 178.668 0.001 . 1 . . . . . 89 PHE C . 27095 1 1023 . 1 . 1 89 89 PHE CA C 13 62.856 0.069 . 1 . . . . . 89 PHE CA . 27095 1 1024 . 1 . 1 89 89 PHE CB C 13 39.939 0.066 . 1 . . . . . 89 PHE CB . 27095 1 1025 . 1 . 1 89 89 PHE CD1 C 13 132.315 0.019 . 1 . . . . . 89 PHE CD1 . 27095 1 1026 . 1 . 1 89 89 PHE CD2 C 13 132.315 0.019 . 1 . . . . . 89 PHE CD2 . 27095 1 1027 . 1 . 1 89 89 PHE CE1 C 13 130.344 0.025 . 1 . . . . . 89 PHE CE1 . 27095 1 1028 . 1 . 1 89 89 PHE CE2 C 13 130.344 0.025 . 1 . . . . . 89 PHE CE2 . 27095 1 1029 . 1 . 1 89 89 PHE CZ C 13 128.957 0.012 . 1 . . . . . 89 PHE CZ . 27095 1 1030 . 1 . 1 89 89 PHE H H 1 7.664 0.003 . 1 . . . . . 89 PHE H . 27095 1 1031 . 1 . 1 89 89 PHE HA H 1 3.888 0.004 . 1 . . . . . 89 PHE HA . 27095 1 1032 . 1 . 1 89 89 PHE HB2 H 1 1.590 0.005 . 2 . . . . . 89 PHE HB2 . 27095 1 1033 . 1 . 1 89 89 PHE HB3 H 1 2.572 0.007 . 2 . . . . . 89 PHE HB3 . 27095 1 1034 . 1 . 1 89 89 PHE HD1 H 1 7.077 0.006 . 1 . . . . . 89 PHE HD1 . 27095 1 1035 . 1 . 1 89 89 PHE HD2 H 1 7.077 0.006 . 1 . . . . . 89 PHE HD2 . 27095 1 1036 . 1 . 1 89 89 PHE HE1 H 1 6.965 0.003 . 1 . . . . . 89 PHE HE1 . 27095 1 1037 . 1 . 1 89 89 PHE HE2 H 1 6.965 0.003 . 1 . . . . . 89 PHE HE2 . 27095 1 1038 . 1 . 1 89 89 PHE HZ H 1 6.867 0.002 . 1 . . . . . 89 PHE HZ . 27095 1 1039 . 1 . 1 89 89 PHE N N 15 114.099 0.034 . 1 . . . . . 89 PHE N . 27095 1 1040 . 1 . 1 90 90 ARG C C 13 178.849 0.045 . 1 . . . . . 90 ARG C . 27095 1 1041 . 1 . 1 90 90 ARG CA C 13 59.407 0.083 . 1 . . . . . 90 ARG CA . 27095 1 1042 . 1 . 1 90 90 ARG CB C 13 30.026 0.053 . 1 . . . . . 90 ARG CB . 27095 1 1043 . 1 . 1 90 90 ARG CD C 13 43.616 0.060 . 1 . . . . . 90 ARG CD . 27095 1 1044 . 1 . 1 90 90 ARG CG C 13 28.234 0.060 . 1 . . . . . 90 ARG CG . 27095 1 1045 . 1 . 1 90 90 ARG H H 1 7.998 0.004 . 1 . . . . . 90 ARG H . 27095 1 1046 . 1 . 1 90 90 ARG HA H 1 3.843 0.004 . 1 . . . . . 90 ARG HA . 27095 1 1047 . 1 . 1 90 90 ARG HB2 H 1 1.945 0.003 . 1 . . . . . 90 ARG HB2 . 27095 1 1048 . 1 . 1 90 90 ARG HD2 H 1 3.238 0.006 . 1 . . . . . 90 ARG HD2 . 27095 1 1049 . 1 . 1 90 90 ARG HG2 H 1 1.900 0.006 . 2 . . . . . 90 ARG HG2 . 27095 1 1050 . 1 . 1 90 90 ARG HG3 H 1 1.976 0.005 . 2 . . . . . 90 ARG HG3 . 27095 1 1051 . 1 . 1 90 90 ARG N N 15 117.572 0.025 . 1 . . . . . 90 ARG N . 27095 1 1052 . 1 . 1 91 91 VAL C C 13 176.589 0.017 . 1 . . . . . 91 VAL C . 27095 1 1053 . 1 . 1 91 91 VAL CA C 13 65.496 0.070 . 1 . . . . . 91 VAL CA . 27095 1 1054 . 1 . 1 91 91 VAL CB C 13 31.384 0.072 . 1 . . . . . 91 VAL CB . 27095 1 1055 . 1 . 1 91 91 VAL CG1 C 13 20.649 0.036 . 2 . . . . . 91 VAL CG1 . 27095 1 1056 . 1 . 1 91 91 VAL CG2 C 13 23.201 0.039 . 2 . . . . . 91 VAL CG2 . 27095 1 1057 . 1 . 1 91 91 VAL H H 1 7.056 0.002 . 1 . . . . . 91 VAL H . 27095 1 1058 . 1 . 1 91 91 VAL HA H 1 3.420 0.005 . 1 . . . . . 91 VAL HA . 27095 1 1059 . 1 . 1 91 91 VAL HB H 1 1.740 0.003 . 1 . . . . . 91 VAL HB . 27095 1 1060 . 1 . 1 91 91 VAL HG11 H 1 0.122 0.002 . 2 . . . . . 91 VAL HG11 . 27095 1 1061 . 1 . 1 91 91 VAL HG12 H 1 0.122 0.002 . 2 . . . . . 91 VAL HG12 . 27095 1 1062 . 1 . 1 91 91 VAL HG13 H 1 0.122 0.002 . 2 . . . . . 91 VAL HG13 . 27095 1 1063 . 1 . 1 91 91 VAL HG21 H 1 0.801 0.002 . 2 . . . . . 91 VAL HG21 . 27095 1 1064 . 1 . 1 91 91 VAL HG22 H 1 0.801 0.002 . 2 . . . . . 91 VAL HG22 . 27095 1 1065 . 1 . 1 91 91 VAL HG23 H 1 0.801 0.002 . 2 . . . . . 91 VAL HG23 . 27095 1 1066 . 1 . 1 91 91 VAL N N 15 118.920 0.034 . 1 . . . . . 91 VAL N . 27095 1 1067 . 1 . 1 92 92 PHE C C 13 174.317 0.022 . 1 . . . . . 92 PHE C . 27095 1 1068 . 1 . 1 92 92 PHE CA C 13 58.087 0.071 . 1 . . . . . 92 PHE CA . 27095 1 1069 . 1 . 1 92 92 PHE CB C 13 39.353 0.034 . 1 . . . . . 92 PHE CB . 27095 1 1070 . 1 . 1 92 92 PHE CD1 C 13 131.975 0.056 . 1 . . . . . 92 PHE CD1 . 27095 1 1071 . 1 . 1 92 92 PHE CD2 C 13 131.975 0.056 . 1 . . . . . 92 PHE CD2 . 27095 1 1072 . 1 . 1 92 92 PHE CE1 C 13 131.088 0.040 . 1 . . . . . 92 PHE CE1 . 27095 1 1073 . 1 . 1 92 92 PHE CE2 C 13 131.088 0.040 . 1 . . . . . 92 PHE CE2 . 27095 1 1074 . 1 . 1 92 92 PHE CZ C 13 129.609 0.017 . 1 . . . . . 92 PHE CZ . 27095 1 1075 . 1 . 1 92 92 PHE H H 1 7.334 0.002 . 1 . . . . . 92 PHE H . 27095 1 1076 . 1 . 1 92 92 PHE HA H 1 4.517 0.005 . 1 . . . . . 92 PHE HA . 27095 1 1077 . 1 . 1 92 92 PHE HB2 H 1 2.756 0.005 . 2 . . . . . 92 PHE HB2 . 27095 1 1078 . 1 . 1 92 92 PHE HB3 H 1 3.482 0.004 . 2 . . . . . 92 PHE HB3 . 27095 1 1079 . 1 . 1 92 92 PHE HD1 H 1 7.225 0.004 . 1 . . . . . 92 PHE HD1 . 27095 1 1080 . 1 . 1 92 92 PHE HD2 H 1 7.225 0.004 . 1 . . . . . 92 PHE HD2 . 27095 1 1081 . 1 . 1 92 92 PHE HE1 H 1 6.884 0.003 . 1 . . . . . 92 PHE HE1 . 27095 1 1082 . 1 . 1 92 92 PHE HE2 H 1 6.884 0.003 . 1 . . . . . 92 PHE HE2 . 27095 1 1083 . 1 . 1 92 92 PHE HZ H 1 7.349 0.004 . 1 . . . . . 92 PHE HZ . 27095 1 1084 . 1 . 1 92 92 PHE N N 15 116.530 0.028 . 1 . . . . . 92 PHE N . 27095 1 1085 . 1 . 1 93 93 ASP C C 13 176.236 0.000 . 1 . . . . . 93 ASP C . 27095 1 1086 . 1 . 1 93 93 ASP CA C 13 52.441 0.055 . 1 . . . . . 93 ASP CA . 27095 1 1087 . 1 . 1 93 93 ASP CB C 13 40.591 0.045 . 1 . . . . . 93 ASP CB . 27095 1 1088 . 1 . 1 93 93 ASP H H 1 7.535 0.003 . 1 . . . . . 93 ASP H . 27095 1 1089 . 1 . 1 93 93 ASP HA H 1 4.933 0.004 . 1 . . . . . 93 ASP HA . 27095 1 1090 . 1 . 1 93 93 ASP HB2 H 1 2.578 0.007 . 2 . . . . . 93 ASP HB2 . 27095 1 1091 . 1 . 1 93 93 ASP HB3 H 1 3.316 0.007 . 2 . . . . . 93 ASP HB3 . 27095 1 1092 . 1 . 1 93 93 ASP N N 15 120.664 0.044 . 1 . . . . . 93 ASP N . 27095 1 1093 . 1 . 1 94 94 LYS C C 13 178.110 0.008 . 1 . . . . . 94 LYS C . 27095 1 1094 . 1 . 1 94 94 LYS CA C 13 58.539 0.091 . 1 . . . . . 94 LYS CA . 27095 1 1095 . 1 . 1 94 94 LYS CB C 13 32.490 0.062 . 1 . . . . . 94 LYS CB . 27095 1 1096 . 1 . 1 94 94 LYS CD C 13 28.773 0.046 . 1 . . . . . 94 LYS CD . 27095 1 1097 . 1 . 1 94 94 LYS CE C 13 41.973 0.012 . 1 . . . . . 94 LYS CE . 27095 1 1098 . 1 . 1 94 94 LYS CG C 13 24.829 0.038 . 1 . . . . . 94 LYS CG . 27095 1 1099 . 1 . 1 94 94 LYS H H 1 8.424 0.003 . 1 . . . . . 94 LYS H . 27095 1 1100 . 1 . 1 94 94 LYS HA H 1 4.118 0.003 . 1 . . . . . 94 LYS HA . 27095 1 1101 . 1 . 1 94 94 LYS HB2 H 1 1.905 0.005 . 1 . . . . . 94 LYS HB2 . 27095 1 1102 . 1 . 1 94 94 LYS HD2 H 1 1.744 0.003 . 1 . . . . . 94 LYS HD2 . 27095 1 1103 . 1 . 1 94 94 LYS HE2 H 1 3.094 0.002 . 1 . . . . . 94 LYS HE2 . 27095 1 1104 . 1 . 1 94 94 LYS HG2 H 1 1.576 0.002 . 1 . . . . . 94 LYS HG2 . 27095 1 1105 . 1 . 1 94 94 LYS N N 15 125.129 0.026 . 1 . . . . . 94 LYS N . 27095 1 1106 . 1 . 1 95 95 ASP C C 13 176.967 0.006 . 1 . . . . . 95 ASP C . 27095 1 1107 . 1 . 1 95 95 ASP CA C 13 55.055 0.117 . 1 . . . . . 95 ASP CA . 27095 1 1108 . 1 . 1 95 95 ASP CB C 13 41.544 0.060 . 1 . . . . . 95 ASP CB . 27095 1 1109 . 1 . 1 95 95 ASP H H 1 8.482 0.003 . 1 . . . . . 95 ASP H . 27095 1 1110 . 1 . 1 95 95 ASP HA H 1 4.750 0.004 . 1 . . . . . 95 ASP HA . 27095 1 1111 . 1 . 1 95 95 ASP HB2 H 1 2.764 0.004 . 1 . . . . . 95 ASP HB2 . 27095 1 1112 . 1 . 1 95 95 ASP N N 15 116.930 0.019 . 1 . . . . . 95 ASP N . 27095 1 1113 . 1 . 1 96 96 GLY C C 13 175.042 0.000 . 1 . . . . . 96 GLY C . 27095 1 1114 . 1 . 1 96 96 GLY CA C 13 46.695 0.016 . 1 . . . . . 96 GLY CA . 27095 1 1115 . 1 . 1 96 96 GLY H H 1 8.299 0.002 . 1 . . . . . 96 GLY H . 27095 1 1116 . 1 . 1 96 96 GLY HA2 H 1 3.722 0.001 . 2 . . . . . 96 GLY HA2 . 27095 1 1117 . 1 . 1 96 96 GLY HA3 H 1 3.996 0.004 . 2 . . . . . 96 GLY HA3 . 27095 1 1118 . 1 . 1 96 96 GLY N N 15 109.819 0.030 . 1 . . . . . 96 GLY N . 27095 1 1119 . 1 . 1 97 97 ASN C C 13 175.890 0.031 . 1 . . . . . 97 ASN C . 27095 1 1120 . 1 . 1 97 97 ASN CA C 13 53.176 0.056 . 1 . . . . . 97 ASN CA . 27095 1 1121 . 1 . 1 97 97 ASN CB C 13 39.572 0.047 . 1 . . . . . 97 ASN CB . 27095 1 1122 . 1 . 1 97 97 ASN H H 1 8.780 0.002 . 1 . . . . . 97 ASN H . 27095 1 1123 . 1 . 1 97 97 ASN HA H 1 4.856 0.005 . 1 . . . . . 97 ASN HA . 27095 1 1124 . 1 . 1 97 97 ASN HB2 H 1 2.808 0.000 . 2 . . . . . 97 ASN HB2 . 27095 1 1125 . 1 . 1 97 97 ASN HB3 H 1 2.894 0.001 . 2 . . . . . 97 ASN HB3 . 27095 1 1126 . 1 . 1 97 97 ASN HD21 H 1 7.013 0.001 . 1 . . . . . 97 ASN HD21 . 27095 1 1127 . 1 . 1 97 97 ASN HD22 H 1 7.606 0.002 . 1 . . . . . 97 ASN HD22 . 27095 1 1128 . 1 . 1 97 97 ASN N N 15 118.025 0.012 . 1 . . . . . 97 ASN N . 27095 1 1129 . 1 . 1 97 97 ASN ND2 N 15 112.681 0.001 . 1 . . . . . 97 ASN ND2 . 27095 1 1130 . 1 . 1 98 98 GLY C C 13 172.533 0.000 . 1 . . . . . 98 GLY C . 27095 1 1131 . 1 . 1 98 98 GLY CA C 13 45.227 0.053 . 1 . . . . . 98 GLY CA . 27095 1 1132 . 1 . 1 98 98 GLY H H 1 9.677 0.004 . 1 . . . . . 98 GLY H . 27095 1 1133 . 1 . 1 98 98 GLY HA2 H 1 3.047 0.007 . 2 . . . . . 98 GLY HA2 . 27095 1 1134 . 1 . 1 98 98 GLY HA3 H 1 3.892 0.005 . 2 . . . . . 98 GLY HA3 . 27095 1 1135 . 1 . 1 98 98 GLY N N 15 109.870 0.011 . 1 . . . . . 98 GLY N . 27095 1 1136 . 1 . 1 99 99 TYR C C 13 174.907 0.018 . 1 . . . . . 99 TYR C . 27095 1 1137 . 1 . 1 99 99 TYR CA C 13 55.992 0.061 . 1 . . . . . 99 TYR CA . 27095 1 1138 . 1 . 1 99 99 TYR CB C 13 42.029 0.038 . 1 . . . . . 99 TYR CB . 27095 1 1139 . 1 . 1 99 99 TYR CD1 C 13 133.363 0.019 . 1 . . . . . 99 TYR CD1 . 27095 1 1140 . 1 . 1 99 99 TYR CD2 C 13 133.363 0.019 . 1 . . . . . 99 TYR CD2 . 27095 1 1141 . 1 . 1 99 99 TYR CE1 C 13 117.884 0.012 . 1 . . . . . 99 TYR CE1 . 27095 1 1142 . 1 . 1 99 99 TYR CE2 C 13 117.884 0.012 . 1 . . . . . 99 TYR CE2 . 27095 1 1143 . 1 . 1 99 99 TYR H H 1 7.961 0.003 . 1 . . . . . 99 TYR H . 27095 1 1144 . 1 . 1 99 99 TYR HA H 1 5.569 0.004 . 1 . . . . . 99 TYR HA . 27095 1 1145 . 1 . 1 99 99 TYR HB2 H 1 2.757 0.010 . 1 . . . . . 99 TYR HB2 . 27095 1 1146 . 1 . 1 99 99 TYR HD1 H 1 6.699 0.002 . 1 . . . . . 99 TYR HD1 . 27095 1 1147 . 1 . 1 99 99 TYR HD2 H 1 6.699 0.002 . 1 . . . . . 99 TYR HD2 . 27095 1 1148 . 1 . 1 99 99 TYR HE1 H 1 6.736 0.001 . 1 . . . . . 99 TYR HE1 . 27095 1 1149 . 1 . 1 99 99 TYR HE2 H 1 6.736 0.001 . 1 . . . . . 99 TYR HE2 . 27095 1 1150 . 1 . 1 99 99 TYR N N 15 117.691 0.021 . 1 . . . . . 99 TYR N . 27095 1 1151 . 1 . 1 100 100 ILE C C 13 174.480 0.036 . 1 . . . . . 100 ILE C . 27095 1 1152 . 1 . 1 100 100 ILE CA C 13 59.320 0.063 . 1 . . . . . 100 ILE CA . 27095 1 1153 . 1 . 1 100 100 ILE CB C 13 43.248 0.049 . 1 . . . . . 100 ILE CB . 27095 1 1154 . 1 . 1 100 100 ILE CD1 C 13 15.411 0.046 . 1 . . . . . 100 ILE CD1 . 27095 1 1155 . 1 . 1 100 100 ILE CG1 C 13 27.516 0.066 . 1 . . . . . 100 ILE CG1 . 27095 1 1156 . 1 . 1 100 100 ILE CG2 C 13 17.433 0.028 . 1 . . . . . 100 ILE CG2 . 27095 1 1157 . 1 . 1 100 100 ILE H H 1 8.702 0.005 . 1 . . . . . 100 ILE H . 27095 1 1158 . 1 . 1 100 100 ILE HA H 1 4.750 0.005 . 1 . . . . . 100 ILE HA . 27095 1 1159 . 1 . 1 100 100 ILE HB H 1 1.755 0.004 . 1 . . . . . 100 ILE HB . 27095 1 1160 . 1 . 1 100 100 ILE HD11 H 1 0.915 0.003 . 1 . . . . . 100 ILE HD11 . 27095 1 1161 . 1 . 1 100 100 ILE HD12 H 1 0.915 0.003 . 1 . . . . . 100 ILE HD12 . 27095 1 1162 . 1 . 1 100 100 ILE HD13 H 1 0.915 0.003 . 1 . . . . . 100 ILE HD13 . 27095 1 1163 . 1 . 1 100 100 ILE HG12 H 1 1.329 0.003 . 2 . . . . . 100 ILE HG12 . 27095 1 1164 . 1 . 1 100 100 ILE HG13 H 1 1.764 0.002 . 2 . . . . . 100 ILE HG13 . 27095 1 1165 . 1 . 1 100 100 ILE HG21 H 1 1.119 0.004 . 1 . . . . . 100 ILE HG21 . 27095 1 1166 . 1 . 1 100 100 ILE HG22 H 1 1.119 0.004 . 1 . . . . . 100 ILE HG22 . 27095 1 1167 . 1 . 1 100 100 ILE HG23 H 1 1.119 0.004 . 1 . . . . . 100 ILE HG23 . 27095 1 1168 . 1 . 1 100 100 ILE N N 15 116.243 0.042 . 1 . . . . . 100 ILE N . 27095 1 1169 . 1 . 1 101 101 SER C C 13 175.584 0.074 . 1 . . . . . 101 SER C . 27095 1 1170 . 1 . 1 101 101 SER CA C 13 58.249 0.088 . 1 . . . . . 101 SER CA . 27095 1 1171 . 1 . 1 101 101 SER CB C 13 63.734 0.102 . 1 . . . . . 101 SER CB . 27095 1 1172 . 1 . 1 101 101 SER H H 1 9.108 0.003 . 1 . . . . . 101 SER H . 27095 1 1173 . 1 . 1 101 101 SER HA H 1 4.707 0.003 . 1 . . . . . 101 SER HA . 27095 1 1174 . 1 . 1 101 101 SER HB2 H 1 4.069 0.008 . 2 . . . . . 101 SER HB2 . 27095 1 1175 . 1 . 1 101 101 SER HB3 H 1 4.369 0.004 . 2 . . . . . 101 SER HB3 . 27095 1 1176 . 1 . 1 101 101 SER N N 15 122.445 0.035 . 1 . . . . . 101 SER N . 27095 1 1177 . 1 . 1 102 102 ALA C C 13 179.218 0.004 . 1 . . . . . 102 ALA C . 27095 1 1178 . 1 . 1 102 102 ALA CA C 13 55.497 0.066 . 1 . . . . . 102 ALA CA . 27095 1 1179 . 1 . 1 102 102 ALA CB C 13 18.023 0.097 . 1 . . . . . 102 ALA CB . 27095 1 1180 . 1 . 1 102 102 ALA H H 1 9.020 0.003 . 1 . . . . . 102 ALA H . 27095 1 1181 . 1 . 1 102 102 ALA HA H 1 3.844 0.003 . 1 . . . . . 102 ALA HA . 27095 1 1182 . 1 . 1 102 102 ALA HB1 H 1 1.351 0.004 . 1 . . . . . 102 ALA HB1 . 27095 1 1183 . 1 . 1 102 102 ALA HB2 H 1 1.351 0.004 . 1 . . . . . 102 ALA HB2 . 27095 1 1184 . 1 . 1 102 102 ALA HB3 H 1 1.351 0.004 . 1 . . . . . 102 ALA HB3 . 27095 1 1185 . 1 . 1 102 102 ALA N N 15 128.587 0.044 . 1 . . . . . 102 ALA N . 27095 1 1186 . 1 . 1 103 103 ALA C C 13 180.866 0.017 . 1 . . . . . 103 ALA C . 27095 1 1187 . 1 . 1 103 103 ALA CA C 13 55.139 0.074 . 1 . . . . . 103 ALA CA . 27095 1 1188 . 1 . 1 103 103 ALA CB C 13 18.243 0.028 . 1 . . . . . 103 ALA CB . 27095 1 1189 . 1 . 1 103 103 ALA H H 1 8.462 0.002 . 1 . . . . . 103 ALA H . 27095 1 1190 . 1 . 1 103 103 ALA HA H 1 4.067 0.003 . 1 . . . . . 103 ALA HA . 27095 1 1191 . 1 . 1 103 103 ALA HB1 H 1 1.405 0.005 . 1 . . . . . 103 ALA HB1 . 27095 1 1192 . 1 . 1 103 103 ALA HB2 H 1 1.405 0.005 . 1 . . . . . 103 ALA HB2 . 27095 1 1193 . 1 . 1 103 103 ALA HB3 H 1 1.405 0.005 . 1 . . . . . 103 ALA HB3 . 27095 1 1194 . 1 . 1 103 103 ALA N N 15 119.743 0.013 . 1 . . . . . 103 ALA N . 27095 1 1195 . 1 . 1 104 104 GLU C C 13 178.439 0.029 . 1 . . . . . 104 GLU C . 27095 1 1196 . 1 . 1 104 104 GLU CA C 13 58.883 0.099 . 1 . . . . . 104 GLU CA . 27095 1 1197 . 1 . 1 104 104 GLU CB C 13 29.502 0.053 . 1 . . . . . 104 GLU CB . 27095 1 1198 . 1 . 1 104 104 GLU CG C 13 36.038 0.027 . 1 . . . . . 104 GLU CG . 27095 1 1199 . 1 . 1 104 104 GLU H H 1 7.861 0.002 . 1 . . . . . 104 GLU H . 27095 1 1200 . 1 . 1 104 104 GLU HA H 1 4.189 0.002 . 1 . . . . . 104 GLU HA . 27095 1 1201 . 1 . 1 104 104 GLU HB2 H 1 2.150 0.003 . 1 . . . . . 104 GLU HB2 . 27095 1 1202 . 1 . 1 104 104 GLU HG2 H 1 2.342 0.003 . 1 . . . . . 104 GLU HG2 . 27095 1 1203 . 1 . 1 104 104 GLU N N 15 120.939 0.017 . 1 . . . . . 104 GLU N . 27095 1 1204 . 1 . 1 105 105 LEU C C 13 177.739 0.009 . 1 . . . . . 105 LEU C . 27095 1 1205 . 1 . 1 105 105 LEU CA C 13 57.697 0.121 . 1 . . . . . 105 LEU CA . 27095 1 1206 . 1 . 1 105 105 LEU CB C 13 41.418 0.066 . 1 . . . . . 105 LEU CB . 27095 1 1207 . 1 . 1 105 105 LEU CD1 C 13 25.907 0.045 . 2 . . . . . 105 LEU CD1 . 27095 1 1208 . 1 . 1 105 105 LEU CD2 C 13 22.465 0.044 . 2 . . . . . 105 LEU CD2 . 27095 1 1209 . 1 . 1 105 105 LEU CG C 13 26.847 0.099 . 1 . . . . . 105 LEU CG . 27095 1 1210 . 1 . 1 105 105 LEU H H 1 8.510 0.003 . 1 . . . . . 105 LEU H . 27095 1 1211 . 1 . 1 105 105 LEU HA H 1 3.825 0.010 . 1 . . . . . 105 LEU HA . 27095 1 1212 . 1 . 1 105 105 LEU HB2 H 1 1.369 0.008 . 2 . . . . . 105 LEU HB2 . 27095 1 1213 . 1 . 1 105 105 LEU HB3 H 1 1.884 0.006 . 2 . . . . . 105 LEU HB3 . 27095 1 1214 . 1 . 1 105 105 LEU HD11 H 1 0.729 0.003 . 2 . . . . . 105 LEU HD11 . 27095 1 1215 . 1 . 1 105 105 LEU HD12 H 1 0.729 0.003 . 2 . . . . . 105 LEU HD12 . 27095 1 1216 . 1 . 1 105 105 LEU HD13 H 1 0.729 0.003 . 2 . . . . . 105 LEU HD13 . 27095 1 1217 . 1 . 1 105 105 LEU HD21 H 1 0.793 0.005 . 2 . . . . . 105 LEU HD21 . 27095 1 1218 . 1 . 1 105 105 LEU HD22 H 1 0.793 0.005 . 2 . . . . . 105 LEU HD22 . 27095 1 1219 . 1 . 1 105 105 LEU HD23 H 1 0.793 0.005 . 2 . . . . . 105 LEU HD23 . 27095 1 1220 . 1 . 1 105 105 LEU HG H 1 1.369 0.007 . 1 . . . . . 105 LEU HG . 27095 1 1221 . 1 . 1 105 105 LEU N N 15 119.996 0.008 . 1 . . . . . 105 LEU N . 27095 1 1222 . 1 . 1 106 106 ARG C C 13 178.394 0.021 . 1 . . . . . 106 ARG C . 27095 1 1223 . 1 . 1 106 106 ARG CA C 13 59.844 0.050 . 1 . . . . . 106 ARG CA . 27095 1 1224 . 1 . 1 106 106 ARG CB C 13 30.211 0.075 . 1 . . . . . 106 ARG CB . 27095 1 1225 . 1 . 1 106 106 ARG CD C 13 42.889 0.076 . 1 . . . . . 106 ARG CD . 27095 1 1226 . 1 . 1 106 106 ARG CG C 13 28.118 0.093 . 1 . . . . . 106 ARG CG . 27095 1 1227 . 1 . 1 106 106 ARG H H 1 8.408 0.004 . 1 . . . . . 106 ARG H . 27095 1 1228 . 1 . 1 106 106 ARG HA H 1 3.603 0.003 . 1 . . . . . 106 ARG HA . 27095 1 1229 . 1 . 1 106 106 ARG HB2 H 1 1.825 0.005 . 1 . . . . . 106 ARG HB2 . 27095 1 1230 . 1 . 1 106 106 ARG HD2 H 1 3.026 0.004 . 2 . . . . . 106 ARG HD2 . 27095 1 1231 . 1 . 1 106 106 ARG HD3 H 1 3.343 0.005 . 2 . . . . . 106 ARG HD3 . 27095 1 1232 . 1 . 1 106 106 ARG HG2 H 1 1.502 0.005 . 1 . . . . . 106 ARG HG2 . 27095 1 1233 . 1 . 1 106 106 ARG N N 15 117.518 0.051 . 1 . . . . . 106 ARG N . 27095 1 1234 . 1 . 1 107 107 HIS C C 13 177.759 0.036 . 1 . . . . . 107 HIS C . 27095 1 1235 . 1 . 1 107 107 HIS CA C 13 60.528 0.077 . 1 . . . . . 107 HIS CA . 27095 1 1236 . 1 . 1 107 107 HIS CB C 13 30.095 0.080 . 1 . . . . . 107 HIS CB . 27095 1 1237 . 1 . 1 107 107 HIS CD2 C 13 119.879 0.007 . 1 . . . . . 107 HIS CD2 . 27095 1 1238 . 1 . 1 107 107 HIS CE1 C 13 138.103 0.019 . 1 . . . . . 107 HIS CE1 . 27095 1 1239 . 1 . 1 107 107 HIS H H 1 7.793 0.002 . 1 . . . . . 107 HIS H . 27095 1 1240 . 1 . 1 107 107 HIS HA H 1 4.022 0.004 . 1 . . . . . 107 HIS HA . 27095 1 1241 . 1 . 1 107 107 HIS HB2 H 1 3.141 0.004 . 2 . . . . . 107 HIS HB2 . 27095 1 1242 . 1 . 1 107 107 HIS HB3 H 1 3.365 0.006 . 2 . . . . . 107 HIS HB3 . 27095 1 1243 . 1 . 1 107 107 HIS HD2 H 1 6.932 0.001 . 1 . . . . . 107 HIS HD2 . 27095 1 1244 . 1 . 1 107 107 HIS HE1 H 1 7.825 0.001 . 1 . . . . . 107 HIS HE1 . 27095 1 1245 . 1 . 1 107 107 HIS N N 15 119.044 0.040 . 1 . . . . . 107 HIS N . 27095 1 1246 . 1 . 1 108 108 VAL C C 13 177.674 0.014 . 1 . . . . . 108 VAL C . 27095 1 1247 . 1 . 1 108 108 VAL CA C 13 66.512 0.052 . 1 . . . . . 108 VAL CA . 27095 1 1248 . 1 . 1 108 108 VAL CB C 13 31.920 0.040 . 1 . . . . . 108 VAL CB . 27095 1 1249 . 1 . 1 108 108 VAL CG1 C 13 21.449 0.060 . 2 . . . . . 108 VAL CG1 . 27095 1 1250 . 1 . 1 108 108 VAL CG2 C 13 20.901 0.032 . 2 . . . . . 108 VAL CG2 . 27095 1 1251 . 1 . 1 108 108 VAL H H 1 8.560 0.004 . 1 . . . . . 108 VAL H . 27095 1 1252 . 1 . 1 108 108 VAL HA H 1 3.452 0.003 . 1 . . . . . 108 VAL HA . 27095 1 1253 . 1 . 1 108 108 VAL HB H 1 1.707 0.002 . 1 . . . . . 108 VAL HB . 27095 1 1254 . 1 . 1 108 108 VAL HG11 H 1 0.492 0.002 . 2 . . . . . 108 VAL HG11 . 27095 1 1255 . 1 . 1 108 108 VAL HG12 H 1 0.492 0.002 . 2 . . . . . 108 VAL HG12 . 27095 1 1256 . 1 . 1 108 108 VAL HG13 H 1 0.492 0.002 . 2 . . . . . 108 VAL HG13 . 27095 1 1257 . 1 . 1 108 108 VAL HG21 H 1 0.640 0.003 . 2 . . . . . 108 VAL HG21 . 27095 1 1258 . 1 . 1 108 108 VAL HG22 H 1 0.640 0.003 . 2 . . . . . 108 VAL HG22 . 27095 1 1259 . 1 . 1 108 108 VAL HG23 H 1 0.640 0.003 . 2 . . . . . 108 VAL HG23 . 27095 1 1260 . 1 . 1 108 108 VAL N N 15 117.875 0.024 . 1 . . . . . 108 VAL N . 27095 1 1261 . 1 . 1 109 109 MET C C 13 178.195 0.009 . 1 . . . . . 109 MET C . 27095 1 1262 . 1 . 1 109 109 MET CA C 13 56.368 0.065 . 1 . . . . . 109 MET CA . 27095 1 1263 . 1 . 1 109 109 MET CB C 13 36.775 0.050 . 1 . . . . . 109 MET CB . 27095 1 1264 . 1 . 1 109 109 MET CE C 13 20.614 0.023 . 1 . . . . . 109 MET CE . 27095 1 1265 . 1 . 1 109 109 MET CG C 13 33.717 0.029 . 1 . . . . . 109 MET CG . 27095 1 1266 . 1 . 1 109 109 MET H H 1 8.176 0.003 . 1 . . . . . 109 MET H . 27095 1 1267 . 1 . 1 109 109 MET HA H 1 4.295 0.006 . 1 . . . . . 109 MET HA . 27095 1 1268 . 1 . 1 109 109 MET HB2 H 1 1.621 0.011 . 2 . . . . . 109 MET HB2 . 27095 1 1269 . 1 . 1 109 109 MET HB3 H 1 2.282 0.005 . 2 . . . . . 109 MET HB3 . 27095 1 1270 . 1 . 1 109 109 MET HE1 H 1 1.797 0.002 . 1 . . . . . 109 MET HE1 . 27095 1 1271 . 1 . 1 109 109 MET HE2 H 1 1.797 0.002 . 1 . . . . . 109 MET HE2 . 27095 1 1272 . 1 . 1 109 109 MET HE3 H 1 1.797 0.002 . 1 . . . . . 109 MET HE3 . 27095 1 1273 . 1 . 1 109 109 MET HG2 H 1 2.445 0.001 . 2 . . . . . 109 MET HG2 . 27095 1 1274 . 1 . 1 109 109 MET HG3 H 1 2.683 0.007 . 2 . . . . . 109 MET HG3 . 27095 1 1275 . 1 . 1 109 109 MET N N 15 112.266 0.016 . 1 . . . . . 109 MET N . 27095 1 1276 . 1 . 1 110 110 THR C C 13 174.972 0.015 . 1 . . . . . 110 THR C . 27095 1 1277 . 1 . 1 110 110 THR CA C 13 61.838 0.036 . 1 . . . . . 110 THR CA . 27095 1 1278 . 1 . 1 110 110 THR CB C 13 70.843 0.057 . 1 . . . . . 110 THR CB . 27095 1 1279 . 1 . 1 110 110 THR CG2 C 13 21.714 0.014 . 1 . . . . . 110 THR CG2 . 27095 1 1280 . 1 . 1 110 110 THR H H 1 7.478 0.004 . 1 . . . . . 110 THR H . 27095 1 1281 . 1 . 1 110 110 THR HA H 1 4.578 0.004 . 1 . . . . . 110 THR HA . 27095 1 1282 . 1 . 1 110 110 THR HB H 1 4.329 0.003 . 1 . . . . . 110 THR HB . 27095 1 1283 . 1 . 1 110 110 THR HG21 H 1 1.180 0.002 . 1 . . . . . 110 THR HG21 . 27095 1 1284 . 1 . 1 110 110 THR HG22 H 1 1.180 0.002 . 1 . . . . . 110 THR HG22 . 27095 1 1285 . 1 . 1 110 110 THR HG23 H 1 1.180 0.002 . 1 . . . . . 110 THR HG23 . 27095 1 1286 . 1 . 1 110 110 THR N N 15 103.947 0.036 . 1 . . . . . 110 THR N . 27095 1 1287 . 1 . 1 111 111 ASN C C 13 173.606 0.006 . 1 . . . . . 111 ASN C . 27095 1 1288 . 1 . 1 111 111 ASN CA C 13 54.679 0.061 . 1 . . . . . 111 ASN CA . 27095 1 1289 . 1 . 1 111 111 ASN CB C 13 41.140 0.047 . 1 . . . . . 111 ASN CB . 27095 1 1290 . 1 . 1 111 111 ASN H H 1 7.438 0.003 . 1 . . . . . 111 ASN H . 27095 1 1291 . 1 . 1 111 111 ASN HA H 1 4.869 0.004 . 1 . . . . . 111 ASN HA . 27095 1 1292 . 1 . 1 111 111 ASN HB2 H 1 2.266 0.001 . 2 . . . . . 111 ASN HB2 . 27095 1 1293 . 1 . 1 111 111 ASN HB3 H 1 2.387 0.002 . 2 . . . . . 111 ASN HB3 . 27095 1 1294 . 1 . 1 111 111 ASN HD21 H 1 6.724 0.003 . 1 . . . . . 111 ASN HD21 . 27095 1 1295 . 1 . 1 111 111 ASN HD22 H 1 7.509 0.002 . 1 . . . . . 111 ASN HD22 . 27095 1 1296 . 1 . 1 111 111 ASN N N 15 116.567 0.023 . 1 . . . . . 111 ASN N . 27095 1 1297 . 1 . 1 111 111 ASN ND2 N 15 116.339 0.000 . 1 . . . . . 111 ASN ND2 . 27095 1 1298 . 1 . 1 112 112 LEU C C 13 176.614 0.005 . 1 . . . . . 112 LEU C . 27095 1 1299 . 1 . 1 112 112 LEU CA C 13 53.527 0.051 . 1 . . . . . 112 LEU CA . 27095 1 1300 . 1 . 1 112 112 LEU CB C 13 45.712 0.056 . 1 . . . . . 112 LEU CB . 27095 1 1301 . 1 . 1 112 112 LEU CD1 C 13 23.662 0.033 . 2 . . . . . 112 LEU CD1 . 27095 1 1302 . 1 . 1 112 112 LEU CD2 C 13 25.726 0.029 . 2 . . . . . 112 LEU CD2 . 27095 1 1303 . 1 . 1 112 112 LEU CG C 13 27.739 0.063 . 1 . . . . . 112 LEU CG . 27095 1 1304 . 1 . 1 112 112 LEU H H 1 7.653 0.002 . 1 . . . . . 112 LEU H . 27095 1 1305 . 1 . 1 112 112 LEU HA H 1 4.754 0.005 . 1 . . . . . 112 LEU HA . 27095 1 1306 . 1 . 1 112 112 LEU HB2 H 1 1.254 0.006 . 2 . . . . . 112 LEU HB2 . 27095 1 1307 . 1 . 1 112 112 LEU HB3 H 1 1.836 0.006 . 2 . . . . . 112 LEU HB3 . 27095 1 1308 . 1 . 1 112 112 LEU HD11 H 1 0.892 0.005 . 2 . . . . . 112 LEU HD11 . 27095 1 1309 . 1 . 1 112 112 LEU HD12 H 1 0.892 0.005 . 2 . . . . . 112 LEU HD12 . 27095 1 1310 . 1 . 1 112 112 LEU HD13 H 1 0.892 0.005 . 2 . . . . . 112 LEU HD13 . 27095 1 1311 . 1 . 1 112 112 LEU HD21 H 1 0.904 0.002 . 2 . . . . . 112 LEU HD21 . 27095 1 1312 . 1 . 1 112 112 LEU HD22 H 1 0.904 0.002 . 2 . . . . . 112 LEU HD22 . 27095 1 1313 . 1 . 1 112 112 LEU HD23 H 1 0.904 0.002 . 2 . . . . . 112 LEU HD23 . 27095 1 1314 . 1 . 1 112 112 LEU HG H 1 1.609 0.005 . 1 . . . . . 112 LEU HG . 27095 1 1315 . 1 . 1 112 112 LEU N N 15 120.035 0.016 . 1 . . . . . 112 LEU N . 27095 1 1316 . 1 . 1 113 113 GLY C C 13 175.878 0.000 . 1 . . . . . 113 GLY C . 27095 1 1317 . 1 . 1 113 113 GLY CA C 13 47.168 0.035 . 1 . . . . . 113 GLY CA . 27095 1 1318 . 1 . 1 113 113 GLY H H 1 9.022 0.003 . 1 . . . . . 113 GLY H . 27095 1 1319 . 1 . 1 113 113 GLY HA2 H 1 3.711 0.001 . 2 . . . . . 113 GLY HA2 . 27095 1 1320 . 1 . 1 113 113 GLY HA3 H 1 3.834 0.000 . 2 . . . . . 113 GLY HA3 . 27095 1 1321 . 1 . 1 113 113 GLY N N 15 106.226 0.018 . 1 . . . . . 113 GLY N . 27095 1 1322 . 1 . 1 114 114 GLU C C 13 175.430 0.004 . 1 . . . . . 114 GLU C . 27095 1 1323 . 1 . 1 114 114 GLU CA C 13 54.842 0.068 . 1 . . . . . 114 GLU CA . 27095 1 1324 . 1 . 1 114 114 GLU CB C 13 26.668 0.122 . 1 . . . . . 114 GLU CB . 27095 1 1325 . 1 . 1 114 114 GLU CG C 13 36.014 0.035 . 1 . . . . . 114 GLU CG . 27095 1 1326 . 1 . 1 114 114 GLU H H 1 9.316 0.003 . 1 . . . . . 114 GLU H . 27095 1 1327 . 1 . 1 114 114 GLU HA H 1 4.278 0.004 . 1 . . . . . 114 GLU HA . 27095 1 1328 . 1 . 1 114 114 GLU HB2 H 1 1.719 0.000 . 1 . . . . . 114 GLU HB2 . 27095 1 1329 . 1 . 1 114 114 GLU HG2 H 1 2.214 0.005 . 1 . . . . . 114 GLU HG2 . 27095 1 1330 . 1 . 1 114 114 GLU N N 15 129.870 0.033 . 1 . . . . . 114 GLU N . 27095 1 1331 . 1 . 1 115 115 LYS C C 13 177.734 0.000 . 1 . . . . . 115 LYS C . 27095 1 1332 . 1 . 1 115 115 LYS CA C 13 57.797 0.077 . 1 . . . . . 115 LYS CA . 27095 1 1333 . 1 . 1 115 115 LYS CB C 13 33.595 0.060 . 1 . . . . . 115 LYS CB . 27095 1 1334 . 1 . 1 115 115 LYS CD C 13 29.324 0.003 . 1 . . . . . 115 LYS CD . 27095 1 1335 . 1 . 1 115 115 LYS CE C 13 41.709 0.023 . 1 . . . . . 115 LYS CE . 27095 1 1336 . 1 . 1 115 115 LYS CG C 13 24.639 0.013 . 1 . . . . . 115 LYS CG . 27095 1 1337 . 1 . 1 115 115 LYS H H 1 6.828 0.003 . 1 . . . . . 115 LYS H . 27095 1 1338 . 1 . 1 115 115 LYS HA H 1 3.850 0.005 . 1 . . . . . 115 LYS HA . 27095 1 1339 . 1 . 1 115 115 LYS HB2 H 1 1.481 0.004 . 1 . . . . . 115 LYS HB2 . 27095 1 1340 . 1 . 1 115 115 LYS HD2 H 1 1.523 0.007 . 2 . . . . . 115 LYS HD2 . 27095 1 1341 . 1 . 1 115 115 LYS HD3 H 1 1.652 0.003 . 2 . . . . . 115 LYS HD3 . 27095 1 1342 . 1 . 1 115 115 LYS HE2 H 1 2.856 0.005 . 2 . . . . . 115 LYS HE2 . 27095 1 1343 . 1 . 1 115 115 LYS HE3 H 1 2.884 0.012 . 2 . . . . . 115 LYS HE3 . 27095 1 1344 . 1 . 1 115 115 LYS HG2 H 1 0.858 0.005 . 2 . . . . . 115 LYS HG2 . 27095 1 1345 . 1 . 1 115 115 LYS HG3 H 1 1.087 0.002 . 2 . . . . . 115 LYS HG3 . 27095 1 1346 . 1 . 1 115 115 LYS N N 15 115.897 0.021 . 1 . . . . . 115 LYS N . 27095 1 1347 . 1 . 1 116 116 LEU C C 13 177.458 0.036 . 1 . . . . . 116 LEU C . 27095 1 1348 . 1 . 1 116 116 LEU CA C 13 54.319 0.049 . 1 . . . . . 116 LEU CA . 27095 1 1349 . 1 . 1 116 116 LEU CB C 13 42.205 0.033 . 1 . . . . . 116 LEU CB . 27095 1 1350 . 1 . 1 116 116 LEU CD1 C 13 27.310 0.041 . 2 . . . . . 116 LEU CD1 . 27095 1 1351 . 1 . 1 116 116 LEU CD2 C 13 22.149 0.016 . 2 . . . . . 116 LEU CD2 . 27095 1 1352 . 1 . 1 116 116 LEU CG C 13 27.644 0.093 . 1 . . . . . 116 LEU CG . 27095 1 1353 . 1 . 1 116 116 LEU H H 1 8.447 0.006 . 1 . . . . . 116 LEU H . 27095 1 1354 . 1 . 1 116 116 LEU HA H 1 4.603 0.008 . 1 . . . . . 116 LEU HA . 27095 1 1355 . 1 . 1 116 116 LEU HB2 H 1 1.320 0.009 . 2 . . . . . 116 LEU HB2 . 27095 1 1356 . 1 . 1 116 116 LEU HB3 H 1 1.778 0.002 . 2 . . . . . 116 LEU HB3 . 27095 1 1357 . 1 . 1 116 116 LEU HD11 H 1 0.833 0.004 . 2 . . . . . 116 LEU HD11 . 27095 1 1358 . 1 . 1 116 116 LEU HD12 H 1 0.833 0.004 . 2 . . . . . 116 LEU HD12 . 27095 1 1359 . 1 . 1 116 116 LEU HD13 H 1 0.833 0.004 . 2 . . . . . 116 LEU HD13 . 27095 1 1360 . 1 . 1 116 116 LEU HD21 H 1 0.994 0.006 . 2 . . . . . 116 LEU HD21 . 27095 1 1361 . 1 . 1 116 116 LEU HD22 H 1 0.994 0.006 . 2 . . . . . 116 LEU HD22 . 27095 1 1362 . 1 . 1 116 116 LEU HD23 H 1 0.994 0.006 . 2 . . . . . 116 LEU HD23 . 27095 1 1363 . 1 . 1 116 116 LEU HG H 1 1.945 0.006 . 1 . . . . . 116 LEU HG . 27095 1 1364 . 1 . 1 116 116 LEU N N 15 122.585 0.043 . 1 . . . . . 116 LEU N . 27095 1 1365 . 1 . 1 117 117 THR C C 13 175.402 0.010 . 1 . . . . . 117 THR C . 27095 1 1366 . 1 . 1 117 117 THR CA C 13 60.665 0.067 . 1 . . . . . 117 THR CA . 27095 1 1367 . 1 . 1 117 117 THR CB C 13 71.160 0.077 . 1 . . . . . 117 THR CB . 27095 1 1368 . 1 . 1 117 117 THR CG2 C 13 21.881 0.029 . 1 . . . . . 117 THR CG2 . 27095 1 1369 . 1 . 1 117 117 THR H H 1 9.293 0.006 . 1 . . . . . 117 THR H . 27095 1 1370 . 1 . 1 117 117 THR HA H 1 4.360 0.004 . 1 . . . . . 117 THR HA . 27095 1 1371 . 1 . 1 117 117 THR HB H 1 4.742 0.006 . 1 . . . . . 117 THR HB . 27095 1 1372 . 1 . 1 117 117 THR HG21 H 1 1.321 0.002 . 1 . . . . . 117 THR HG21 . 27095 1 1373 . 1 . 1 117 117 THR HG22 H 1 1.321 0.002 . 1 . . . . . 117 THR HG22 . 27095 1 1374 . 1 . 1 117 117 THR HG23 H 1 1.321 0.002 . 1 . . . . . 117 THR HG23 . 27095 1 1375 . 1 . 1 117 117 THR N N 15 111.965 0.021 . 1 . . . . . 117 THR N . 27095 1 1376 . 1 . 1 118 118 ASP C C 13 177.715 0.029 . 1 . . . . . 118 ASP C . 27095 1 1377 . 1 . 1 118 118 ASP CA C 13 57.870 0.100 . 1 . . . . . 118 ASP CA . 27095 1 1378 . 1 . 1 118 118 ASP CB C 13 40.305 0.044 . 1 . . . . . 118 ASP CB . 27095 1 1379 . 1 . 1 118 118 ASP H H 1 8.742 0.002 . 1 . . . . . 118 ASP H . 27095 1 1380 . 1 . 1 118 118 ASP HA H 1 4.252 0.004 . 1 . . . . . 118 ASP HA . 27095 1 1381 . 1 . 1 118 118 ASP HB2 H 1 2.521 0.004 . 2 . . . . . 118 ASP HB2 . 27095 1 1382 . 1 . 1 118 118 ASP HB3 H 1 2.633 0.003 . 2 . . . . . 118 ASP HB3 . 27095 1 1383 . 1 . 1 118 118 ASP N N 15 120.522 0.019 . 1 . . . . . 118 ASP N . 27095 1 1384 . 1 . 1 119 119 GLU C C 13 180.084 0.007 . 1 . . . . . 119 GLU C . 27095 1 1385 . 1 . 1 119 119 GLU CA C 13 59.810 0.078 . 1 . . . . . 119 GLU CA . 27095 1 1386 . 1 . 1 119 119 GLU CB C 13 29.490 0.139 . 1 . . . . . 119 GLU CB . 27095 1 1387 . 1 . 1 119 119 GLU CG C 13 36.905 0.027 . 1 . . . . . 119 GLU CG . 27095 1 1388 . 1 . 1 119 119 GLU H H 1 8.401 0.003 . 1 . . . . . 119 GLU H . 27095 1 1389 . 1 . 1 119 119 GLU HA H 1 4.095 0.002 . 1 . . . . . 119 GLU HA . 27095 1 1390 . 1 . 1 119 119 GLU HG2 H 1 2.337 0.004 . 1 . . . . . 119 GLU HG2 . 27095 1 1391 . 1 . 1 119 119 GLU N N 15 117.458 0.034 . 1 . . . . . 119 GLU N . 27095 1 1392 . 1 . 1 120 120 GLU C C 13 179.160 0.041 . 1 . . . . . 120 GLU C . 27095 1 1393 . 1 . 1 120 120 GLU CA C 13 59.234 0.061 . 1 . . . . . 120 GLU CA . 27095 1 1394 . 1 . 1 120 120 GLU CB C 13 32.054 0.037 . 1 . . . . . 120 GLU CB . 27095 1 1395 . 1 . 1 120 120 GLU CG C 13 37.471 0.021 . 1 . . . . . 120 GLU CG . 27095 1 1396 . 1 . 1 120 120 GLU H H 1 7.836 0.002 . 1 . . . . . 120 GLU H . 27095 1 1397 . 1 . 1 120 120 GLU HA H 1 4.159 0.002 . 1 . . . . . 120 GLU HA . 27095 1 1398 . 1 . 1 120 120 GLU HB2 H 1 2.610 0.005 . 1 . . . . . 120 GLU HB2 . 27095 1 1399 . 1 . 1 120 120 GLU HG2 H 1 2.244 0.003 . 2 . . . . . 120 GLU HG2 . 27095 1 1400 . 1 . 1 120 120 GLU HG3 H 1 2.463 0.007 . 2 . . . . . 120 GLU HG3 . 27095 1 1401 . 1 . 1 120 120 GLU N N 15 119.686 0.019 . 1 . . . . . 120 GLU N . 27095 1 1402 . 1 . 1 121 121 VAL C C 13 176.357 0.010 . 1 . . . . . 121 VAL C . 27095 1 1403 . 1 . 1 121 121 VAL CA C 13 64.992 0.079 . 1 . . . . . 121 VAL CA . 27095 1 1404 . 1 . 1 121 121 VAL CB C 13 31.252 0.091 . 1 . . . . . 121 VAL CB . 27095 1 1405 . 1 . 1 121 121 VAL CG1 C 13 24.742 0.025 . 2 . . . . . 121 VAL CG1 . 27095 1 1406 . 1 . 1 121 121 VAL CG2 C 13 21.082 0.031 . 2 . . . . . 121 VAL CG2 . 27095 1 1407 . 1 . 1 121 121 VAL H H 1 8.685 0.003 . 1 . . . . . 121 VAL H . 27095 1 1408 . 1 . 1 121 121 VAL HA H 1 3.783 0.005 . 1 . . . . . 121 VAL HA . 27095 1 1409 . 1 . 1 121 121 VAL HB H 1 1.885 0.004 . 1 . . . . . 121 VAL HB . 27095 1 1410 . 1 . 1 121 121 VAL HG11 H 1 0.974 0.002 . 2 . . . . . 121 VAL HG11 . 27095 1 1411 . 1 . 1 121 121 VAL HG12 H 1 0.974 0.002 . 2 . . . . . 121 VAL HG12 . 27095 1 1412 . 1 . 1 121 121 VAL HG13 H 1 0.974 0.002 . 2 . . . . . 121 VAL HG13 . 27095 1 1413 . 1 . 1 121 121 VAL HG21 H 1 1.008 0.001 . 2 . . . . . 121 VAL HG21 . 27095 1 1414 . 1 . 1 121 121 VAL HG22 H 1 1.008 0.001 . 2 . . . . . 121 VAL HG22 . 27095 1 1415 . 1 . 1 121 121 VAL HG23 H 1 1.008 0.001 . 2 . . . . . 121 VAL HG23 . 27095 1 1416 . 1 . 1 121 121 VAL N N 15 119.230 0.021 . 1 . . . . . 121 VAL N . 27095 1 1417 . 1 . 1 122 122 ASP C C 13 179.440 0.023 . 1 . . . . . 122 ASP C . 27095 1 1418 . 1 . 1 122 122 ASP CA C 13 57.479 0.073 . 1 . . . . . 122 ASP CA . 27095 1 1419 . 1 . 1 122 122 ASP CB C 13 39.956 0.039 . 1 . . . . . 122 ASP CB . 27095 1 1420 . 1 . 1 122 122 ASP H H 1 8.334 0.002 . 1 . . . . . 122 ASP H . 27095 1 1421 . 1 . 1 122 122 ASP HA H 1 4.356 0.003 . 1 . . . . . 122 ASP HA . 27095 1 1422 . 1 . 1 122 122 ASP HB2 H 1 2.567 0.001 . 2 . . . . . 122 ASP HB2 . 27095 1 1423 . 1 . 1 122 122 ASP HB3 H 1 2.888 0.004 . 2 . . . . . 122 ASP HB3 . 27095 1 1424 . 1 . 1 122 122 ASP N N 15 123.005 0.024 . 1 . . . . . 122 ASP N . 27095 1 1425 . 1 . 1 123 123 GLU C C 13 177.539 0.014 . 1 . . . . . 123 GLU C . 27095 1 1426 . 1 . 1 123 123 GLU CA C 13 58.887 0.078 . 1 . . . . . 123 GLU CA . 27095 1 1427 . 1 . 1 123 123 GLU CB C 13 28.789 0.086 . 1 . . . . . 123 GLU CB . 27095 1 1428 . 1 . 1 123 123 GLU CG C 13 35.338 0.022 . 1 . . . . . 123 GLU CG . 27095 1 1429 . 1 . 1 123 123 GLU H H 1 7.377 0.003 . 1 . . . . . 123 GLU H . 27095 1 1430 . 1 . 1 123 123 GLU HA H 1 4.166 0.007 . 1 . . . . . 123 GLU HA . 27095 1 1431 . 1 . 1 123 123 GLU HB2 H 1 2.208 0.005 . 2 . . . . . 123 GLU HB2 . 27095 1 1432 . 1 . 1 123 123 GLU HB3 H 1 2.335 0.009 . 2 . . . . . 123 GLU HB3 . 27095 1 1433 . 1 . 1 123 123 GLU HG2 H 1 2.499 0.002 . 1 . . . . . 123 GLU HG2 . 27095 1 1434 . 1 . 1 123 123 GLU N N 15 120.309 0.019 . 1 . . . . . 123 GLU N . 27095 1 1435 . 1 . 1 124 124 MET C C 13 177.643 0.000 . 1 . . . . . 124 MET C . 27095 1 1436 . 1 . 1 124 124 MET CA C 13 59.929 0.027 . 1 . . . . . 124 MET CA . 27095 1 1437 . 1 . 1 124 124 MET CB C 13 33.754 0.025 . 1 . . . . . 124 MET CB . 27095 1 1438 . 1 . 1 124 124 MET CE C 13 18.030 0.039 . 1 . . . . . 124 MET CE . 27095 1 1439 . 1 . 1 124 124 MET CG C 13 32.317 0.088 . 1 . . . . . 124 MET CG . 27095 1 1440 . 1 . 1 124 124 MET H H 1 8.002 0.003 . 1 . . . . . 124 MET H . 27095 1 1441 . 1 . 1 124 124 MET HA H 1 3.827 0.003 . 1 . . . . . 124 MET HA . 27095 1 1442 . 1 . 1 124 124 MET HB2 H 1 1.637 0.004 . 2 . . . . . 124 MET HB2 . 27095 1 1443 . 1 . 1 124 124 MET HB3 H 1 1.878 0.001 . 2 . . . . . 124 MET HB3 . 27095 1 1444 . 1 . 1 124 124 MET HE1 H 1 1.556 0.003 . 1 . . . . . 124 MET HE1 . 27095 1 1445 . 1 . 1 124 124 MET HE2 H 1 1.556 0.003 . 1 . . . . . 124 MET HE2 . 27095 1 1446 . 1 . 1 124 124 MET HE3 H 1 1.556 0.003 . 1 . . . . . 124 MET HE3 . 27095 1 1447 . 1 . 1 124 124 MET HG2 H 1 1.569 0.001 . 2 . . . . . 124 MET HG2 . 27095 1 1448 . 1 . 1 124 124 MET HG3 H 1 1.814 0.001 . 2 . . . . . 124 MET HG3 . 27095 1 1449 . 1 . 1 124 124 MET N N 15 121.925 0.025 . 1 . . . . . 124 MET N . 27095 1 1450 . 1 . 1 125 125 ILE C C 13 177.559 0.001 . 1 . . . . . 125 ILE C . 27095 1 1451 . 1 . 1 125 125 ILE CA C 13 63.009 0.055 . 1 . . . . . 125 ILE CA . 27095 1 1452 . 1 . 1 125 125 ILE CB C 13 36.375 0.020 . 1 . . . . . 125 ILE CB . 27095 1 1453 . 1 . 1 125 125 ILE CD1 C 13 11.083 0.055 . 1 . . . . . 125 ILE CD1 . 27095 1 1454 . 1 . 1 125 125 ILE CG1 C 13 28.539 0.027 . 1 . . . . . 125 ILE CG1 . 27095 1 1455 . 1 . 1 125 125 ILE CG2 C 13 18.080 0.041 . 1 . . . . . 125 ILE CG2 . 27095 1 1456 . 1 . 1 125 125 ILE H H 1 8.290 0.004 . 1 . . . . . 125 ILE H . 27095 1 1457 . 1 . 1 125 125 ILE HA H 1 3.552 0.005 . 1 . . . . . 125 ILE HA . 27095 1 1458 . 1 . 1 125 125 ILE HB H 1 2.015 0.002 . 1 . . . . . 125 ILE HB . 27095 1 1459 . 1 . 1 125 125 ILE HD11 H 1 0.653 0.003 . 1 . . . . . 125 ILE HD11 . 27095 1 1460 . 1 . 1 125 125 ILE HD12 H 1 0.653 0.003 . 1 . . . . . 125 ILE HD12 . 27095 1 1461 . 1 . 1 125 125 ILE HD13 H 1 0.653 0.003 . 1 . . . . . 125 ILE HD13 . 27095 1 1462 . 1 . 1 125 125 ILE HG12 H 1 1.423 0.003 . 2 . . . . . 125 ILE HG12 . 27095 1 1463 . 1 . 1 125 125 ILE HG13 H 1 1.466 0.001 . 2 . . . . . 125 ILE HG13 . 27095 1 1464 . 1 . 1 125 125 ILE HG21 H 1 0.870 0.004 . 1 . . . . . 125 ILE HG21 . 27095 1 1465 . 1 . 1 125 125 ILE HG22 H 1 0.870 0.004 . 1 . . . . . 125 ILE HG22 . 27095 1 1466 . 1 . 1 125 125 ILE HG23 H 1 0.870 0.004 . 1 . . . . . 125 ILE HG23 . 27095 1 1467 . 1 . 1 125 125 ILE N N 15 115.607 0.043 . 1 . . . . . 125 ILE N . 27095 1 1468 . 1 . 1 126 126 ARG C C 13 178.488 0.006 . 1 . . . . . 126 ARG C . 27095 1 1469 . 1 . 1 126 126 ARG CA C 13 59.303 0.079 . 1 . . . . . 126 ARG CA . 27095 1 1470 . 1 . 1 126 126 ARG CB C 13 30.085 0.111 . 1 . . . . . 126 ARG CB . 27095 1 1471 . 1 . 1 126 126 ARG CD C 13 43.334 0.000 . 1 . . . . . 126 ARG CD . 27095 1 1472 . 1 . 1 126 126 ARG CG C 13 27.656 0.005 . 1 . . . . . 126 ARG CG . 27095 1 1473 . 1 . 1 126 126 ARG H H 1 7.775 0.004 . 1 . . . . . 126 ARG H . 27095 1 1474 . 1 . 1 126 126 ARG HA H 1 4.049 0.000 . 1 . . . . . 126 ARG HA . 27095 1 1475 . 1 . 1 126 126 ARG HB2 H 1 1.972 0.000 . 1 . . . . . 126 ARG HB2 . 27095 1 1476 . 1 . 1 126 126 ARG HD2 H 1 3.265 0.000 . 1 . . . . . 126 ARG HD2 . 27095 1 1477 . 1 . 1 126 126 ARG HG2 H 1 1.623 0.000 . 2 . . . . . 126 ARG HG2 . 27095 1 1478 . 1 . 1 126 126 ARG HG3 H 1 1.735 0.000 . 2 . . . . . 126 ARG HG3 . 27095 1 1479 . 1 . 1 126 126 ARG N N 15 120.040 0.038 . 1 . . . . . 126 ARG N . 27095 1 1480 . 1 . 1 127 127 GLU C C 13 176.778 0.000 . 1 . . . . . 127 GLU C . 27095 1 1481 . 1 . 1 127 127 GLU CA C 13 57.859 0.031 . 1 . . . . . 127 GLU CA . 27095 1 1482 . 1 . 1 127 127 GLU CB C 13 30.456 0.042 . 1 . . . . . 127 GLU CB . 27095 1 1483 . 1 . 1 127 127 GLU CG C 13 37.220 0.052 . 1 . . . . . 127 GLU CG . 27095 1 1484 . 1 . 1 127 127 GLU H H 1 7.814 0.004 . 1 . . . . . 127 GLU H . 27095 1 1485 . 1 . 1 127 127 GLU HA H 1 4.182 0.006 . 1 . . . . . 127 GLU HA . 27095 1 1486 . 1 . 1 127 127 GLU HB2 H 1 2.245 0.006 . 1 . . . . . 127 GLU HB2 . 27095 1 1487 . 1 . 1 127 127 GLU HG2 H 1 2.343 0.003 . 2 . . . . . 127 GLU HG2 . 27095 1 1488 . 1 . 1 127 127 GLU HG3 H 1 2.651 0.002 . 2 . . . . . 127 GLU HG3 . 27095 1 1489 . 1 . 1 127 127 GLU N N 15 115.527 0.050 . 1 . . . . . 127 GLU N . 27095 1 1490 . 1 . 1 128 128 ALA C C 13 177.098 0.042 . 1 . . . . . 128 ALA C . 27095 1 1491 . 1 . 1 128 128 ALA CA C 13 52.625 0.067 . 1 . . . . . 128 ALA CA . 27095 1 1492 . 1 . 1 128 128 ALA CB C 13 19.469 0.059 . 1 . . . . . 128 ALA CB . 27095 1 1493 . 1 . 1 128 128 ALA H H 1 8.005 0.002 . 1 . . . . . 128 ALA H . 27095 1 1494 . 1 . 1 128 128 ALA HA H 1 4.045 0.004 . 1 . . . . . 128 ALA HA . 27095 1 1495 . 1 . 1 128 128 ALA HB1 H 1 0.812 0.003 . 1 . . . . . 128 ALA HB1 . 27095 1 1496 . 1 . 1 128 128 ALA HB2 H 1 0.812 0.003 . 1 . . . . . 128 ALA HB2 . 27095 1 1497 . 1 . 1 128 128 ALA HB3 H 1 0.812 0.003 . 1 . . . . . 128 ALA HB3 . 27095 1 1498 . 1 . 1 128 128 ALA N N 15 120.005 0.035 . 1 . . . . . 128 ALA N . 27095 1 1499 . 1 . 1 129 129 ASP C C 13 176.196 0.008 . 1 . . . . . 129 ASP C . 27095 1 1500 . 1 . 1 129 129 ASP CA C 13 52.866 0.028 . 1 . . . . . 129 ASP CA . 27095 1 1501 . 1 . 1 129 129 ASP CB C 13 39.822 0.128 . 1 . . . . . 129 ASP CB . 27095 1 1502 . 1 . 1 129 129 ASP H H 1 8.338 0.002 . 1 . . . . . 129 ASP H . 27095 1 1503 . 1 . 1 129 129 ASP HA H 1 4.777 0.006 . 1 . . . . . 129 ASP HA . 27095 1 1504 . 1 . 1 129 129 ASP HB2 H 1 2.297 0.011 . 2 . . . . . 129 ASP HB2 . 27095 1 1505 . 1 . 1 129 129 ASP HB3 H 1 2.891 0.008 . 2 . . . . . 129 ASP HB3 . 27095 1 1506 . 1 . 1 129 129 ASP N N 15 119.236 0.029 . 1 . . . . . 129 ASP N . 27095 1 1507 . 1 . 1 130 130 ILE CA C 13 62.333 0.022 . 1 . . . . . 130 ILE CA . 27095 1 1508 . 1 . 1 130 130 ILE CB C 13 38.969 0.018 . 1 . . . . . 130 ILE CB . 27095 1 1509 . 1 . 1 130 130 ILE CD1 C 13 13.742 0.040 . 1 . . . . . 130 ILE CD1 . 27095 1 1510 . 1 . 1 130 130 ILE CG1 C 13 27.778 0.061 . 1 . . . . . 130 ILE CG1 . 27095 1 1511 . 1 . 1 130 130 ILE CG2 C 13 17.557 0.028 . 1 . . . . . 130 ILE CG2 . 27095 1 1512 . 1 . 1 130 130 ILE H H 1 7.813 0.002 . 1 . . . . . 130 ILE H . 27095 1 1513 . 1 . 1 130 130 ILE HA H 1 4.131 0.005 . 1 . . . . . 130 ILE HA . 27095 1 1514 . 1 . 1 130 130 ILE HB H 1 1.806 0.004 . 1 . . . . . 130 ILE HB . 27095 1 1515 . 1 . 1 130 130 ILE HD11 H 1 0.878 0.005 . 1 . . . . . 130 ILE HD11 . 27095 1 1516 . 1 . 1 130 130 ILE HD12 H 1 0.878 0.005 . 1 . . . . . 130 ILE HD12 . 27095 1 1517 . 1 . 1 130 130 ILE HD13 H 1 0.878 0.005 . 1 . . . . . 130 ILE HD13 . 27095 1 1518 . 1 . 1 130 130 ILE HG12 H 1 1.103 0.003 . 2 . . . . . 130 ILE HG12 . 27095 1 1519 . 1 . 1 130 130 ILE HG13 H 1 1.545 0.004 . 2 . . . . . 130 ILE HG13 . 27095 1 1520 . 1 . 1 130 130 ILE HG21 H 1 0.938 0.003 . 1 . . . . . 130 ILE HG21 . 27095 1 1521 . 1 . 1 130 130 ILE HG22 H 1 0.938 0.003 . 1 . . . . . 130 ILE HG22 . 27095 1 1522 . 1 . 1 130 130 ILE HG23 H 1 0.938 0.003 . 1 . . . . . 130 ILE HG23 . 27095 1 1523 . 1 . 1 130 130 ILE N N 15 122.419 0.037 . 1 . . . . . 130 ILE N . 27095 1 1524 . 1 . 1 131 131 ASP C C 13 177.597 0.000 . 1 . . . . . 131 ASP C . 27095 1 1525 . 1 . 1 131 131 ASP CA C 13 55.016 0.000 . 1 . . . . . 131 ASP CA . 27095 1 1526 . 1 . 1 131 131 ASP CB C 13 41.307 0.000 . 1 . . . . . 131 ASP CB . 27095 1 1527 . 1 . 1 132 132 GLY C C 13 174.747 0.000 . 1 . . . . . 132 GLY C . 27095 1 1528 . 1 . 1 132 132 GLY CA C 13 46.680 0.111 . 1 . . . . . 132 GLY CA . 27095 1 1529 . 1 . 1 132 132 GLY H H 1 8.196 0.003 . 1 . . . . . 132 GLY H . 27095 1 1530 . 1 . 1 132 132 GLY HA2 H 1 3.782 0.000 . 2 . . . . . 132 GLY HA2 . 27095 1 1531 . 1 . 1 132 132 GLY HA3 H 1 3.882 0.000 . 2 . . . . . 132 GLY HA3 . 27095 1 1532 . 1 . 1 132 132 GLY N N 15 108.327 0.133 . 1 . . . . . 132 GLY N . 27095 1 1533 . 1 . 1 133 133 ASP C C 13 177.146 0.000 . 1 . . . . . 133 ASP C . 27095 1 1534 . 1 . 1 133 133 ASP CA C 13 53.539 0.059 . 1 . . . . . 133 ASP CA . 27095 1 1535 . 1 . 1 133 133 ASP CB C 13 41.587 0.000 . 1 . . . . . 133 ASP CB . 27095 1 1536 . 1 . 1 133 133 ASP H H 1 8.390 0.004 . 1 . . . . . 133 ASP H . 27095 1 1537 . 1 . 1 133 133 ASP HA H 1 4.754 0.001 . 1 . . . . . 133 ASP HA . 27095 1 1538 . 1 . 1 133 133 ASP HB2 H 1 2.685 0.000 . 1 . . . . . 133 ASP HB2 . 27095 1 1539 . 1 . 1 133 133 ASP N N 15 119.607 0.014 . 1 . . . . . 133 ASP N . 27095 1 1540 . 1 . 1 134 134 GLY C C 13 174.303 0.000 . 1 . . . . . 134 GLY C . 27095 1 1541 . 1 . 1 134 134 GLY CA C 13 46.008 0.040 . 1 . . . . . 134 GLY CA . 27095 1 1542 . 1 . 1 134 134 GLY HA2 H 1 4.181 0.009 . 2 . . . . . 134 GLY HA2 . 27095 1 1543 . 1 . 1 134 134 GLY HA3 H 1 3.620 0.007 . 2 . . . . . 134 GLY HA3 . 27095 1 1544 . 1 . 1 135 135 GLN C C 13 174.302 0.000 . 1 . . . . . 135 GLN C . 27095 1 1545 . 1 . 1 135 135 GLN CA C 13 54.552 0.043 . 1 . . . . . 135 GLN CA . 27095 1 1546 . 1 . 1 135 135 GLN CB C 13 30.496 0.105 . 1 . . . . . 135 GLN CB . 27095 1 1547 . 1 . 1 135 135 GLN CG C 13 33.163 0.021 . 1 . . . . . 135 GLN CG . 27095 1 1548 . 1 . 1 135 135 GLN H H 1 8.306 0.003 . 1 . . . . . 135 GLN H . 27095 1 1549 . 1 . 1 135 135 GLN HA H 1 4.736 0.002 . 1 . . . . . 135 GLN HA . 27095 1 1550 . 1 . 1 135 135 GLN HB2 H 1 1.827 0.001 . 2 . . . . . 135 GLN HB2 . 27095 1 1551 . 1 . 1 135 135 GLN HB3 H 1 2.040 0.000 . 2 . . . . . 135 GLN HB3 . 27095 1 1552 . 1 . 1 135 135 GLN HE21 H 1 6.394 0.000 . 1 . . . . . 135 GLN HE21 . 27095 1 1553 . 1 . 1 135 135 GLN HE22 H 1 7.263 0.000 . 1 . . . . . 135 GLN HE22 . 27095 1 1554 . 1 . 1 135 135 GLN HG2 H 1 1.917 0.003 . 2 . . . . . 135 GLN HG2 . 27095 1 1555 . 1 . 1 135 135 GLN HG3 H 1 2.099 0.009 . 2 . . . . . 135 GLN HG3 . 27095 1 1556 . 1 . 1 135 135 GLN N N 15 120.669 0.059 . 1 . . . . . 135 GLN N . 27095 1 1557 . 1 . 1 135 135 GLN NE2 N 15 110.262 0.000 . 1 . . . . . 135 GLN NE2 . 27095 1 1558 . 1 . 1 136 136 VAL C C 13 174.908 0.034 . 1 . . . . . 136 VAL C . 27095 1 1559 . 1 . 1 136 136 VAL CA C 13 61.203 0.072 . 1 . . . . . 136 VAL CA . 27095 1 1560 . 1 . 1 136 136 VAL CB C 13 33.460 0.057 . 1 . . . . . 136 VAL CB . 27095 1 1561 . 1 . 1 136 136 VAL CG1 C 13 20.240 0.038 . 2 . . . . . 136 VAL CG1 . 27095 1 1562 . 1 . 1 136 136 VAL CG2 C 13 20.472 0.041 . 2 . . . . . 136 VAL CG2 . 27095 1 1563 . 1 . 1 136 136 VAL H H 1 9.084 0.004 . 1 . . . . . 136 VAL H . 27095 1 1564 . 1 . 1 136 136 VAL HA H 1 4.199 0.005 . 1 . . . . . 136 VAL HA . 27095 1 1565 . 1 . 1 136 136 VAL HB H 1 2.234 0.005 . 1 . . . . . 136 VAL HB . 27095 1 1566 . 1 . 1 136 136 VAL HG11 H 1 0.604 0.004 . 2 . . . . . 136 VAL HG11 . 27095 1 1567 . 1 . 1 136 136 VAL HG12 H 1 0.604 0.004 . 2 . . . . . 136 VAL HG12 . 27095 1 1568 . 1 . 1 136 136 VAL HG13 H 1 0.604 0.004 . 2 . . . . . 136 VAL HG13 . 27095 1 1569 . 1 . 1 136 136 VAL HG21 H 1 0.716 0.002 . 2 . . . . . 136 VAL HG21 . 27095 1 1570 . 1 . 1 136 136 VAL HG22 H 1 0.716 0.002 . 2 . . . . . 136 VAL HG22 . 27095 1 1571 . 1 . 1 136 136 VAL HG23 H 1 0.716 0.002 . 2 . . . . . 136 VAL HG23 . 27095 1 1572 . 1 . 1 136 136 VAL N N 15 120.860 0.046 . 1 . . . . . 136 VAL N . 27095 1 1573 . 1 . 1 137 137 ASN C C 13 175.960 0.016 . 1 . . . . . 137 ASN C . 27095 1 1574 . 1 . 1 137 137 ASN CA C 13 51.815 0.097 . 1 . . . . . 137 ASN CA . 27095 1 1575 . 1 . 1 137 137 ASN CB C 13 37.122 0.071 . 1 . . . . . 137 ASN CB . 27095 1 1576 . 1 . 1 137 137 ASN H H 1 9.047 0.005 . 1 . . . . . 137 ASN H . 27095 1 1577 . 1 . 1 137 137 ASN HA H 1 4.390 0.006 . 1 . . . . . 137 ASN HA . 27095 1 1578 . 1 . 1 137 137 ASN HB2 H 1 2.562 0.005 . 2 . . . . . 137 ASN HB2 . 27095 1 1579 . 1 . 1 137 137 ASN HB3 H 1 3.062 0.005 . 2 . . . . . 137 ASN HB3 . 27095 1 1580 . 1 . 1 137 137 ASN N N 15 126.864 0.038 . 1 . . . . . 137 ASN N . 27095 1 1581 . 1 . 1 138 138 TYR C C 13 176.351 0.007 . 1 . . . . . 138 TYR C . 27095 1 1582 . 1 . 1 138 138 TYR CA C 13 59.205 0.034 . 1 . . . . . 138 TYR CA . 27095 1 1583 . 1 . 1 138 138 TYR CB C 13 36.909 0.065 . 1 . . . . . 138 TYR CB . 27095 1 1584 . 1 . 1 138 138 TYR CD1 C 13 133.484 0.022 . 1 . . . . . 138 TYR CD1 . 27095 1 1585 . 1 . 1 138 138 TYR CD2 C 13 133.484 0.022 . 1 . . . . . 138 TYR CD2 . 27095 1 1586 . 1 . 1 138 138 TYR CE1 C 13 117.905 0.033 . 1 . . . . . 138 TYR CE1 . 27095 1 1587 . 1 . 1 138 138 TYR CE2 C 13 117.905 0.033 . 1 . . . . . 138 TYR CE2 . 27095 1 1588 . 1 . 1 138 138 TYR H H 1 7.198 0.004 . 1 . . . . . 138 TYR H . 27095 1 1589 . 1 . 1 138 138 TYR HA H 1 3.965 0.004 . 1 . . . . . 138 TYR HA . 27095 1 1590 . 1 . 1 138 138 TYR HB2 H 1 1.971 0.005 . 1 . . . . . 138 TYR HB2 . 27095 1 1591 . 1 . 1 138 138 TYR HD1 H 1 6.537 0.002 . 1 . . . . . 138 TYR HD1 . 27095 1 1592 . 1 . 1 138 138 TYR HD2 H 1 6.537 0.002 . 1 . . . . . 138 TYR HD2 . 27095 1 1593 . 1 . 1 138 138 TYR HE1 H 1 6.709 0.001 . 1 . . . . . 138 TYR HE1 . 27095 1 1594 . 1 . 1 138 138 TYR HE2 H 1 6.709 0.001 . 1 . . . . . 138 TYR HE2 . 27095 1 1595 . 1 . 1 138 138 TYR N N 15 122.537 0.056 . 1 . . . . . 138 TYR N . 27095 1 1596 . 1 . 1 139 139 GLU C C 13 178.981 0.000 . 1 . . . . . 139 GLU C . 27095 1 1597 . 1 . 1 139 139 GLU CA C 13 59.621 0.036 . 1 . . . . . 139 GLU CA . 27095 1 1598 . 1 . 1 139 139 GLU CB C 13 28.253 0.113 . 1 . . . . . 139 GLU CB . 27095 1 1599 . 1 . 1 139 139 GLU CG C 13 35.415 0.051 . 1 . . . . . 139 GLU CG . 27095 1 1600 . 1 . 1 139 139 GLU H H 1 8.191 0.003 . 1 . . . . . 139 GLU H . 27095 1 1601 . 1 . 1 139 139 GLU HA H 1 4.007 0.001 . 1 . . . . . 139 GLU HA . 27095 1 1602 . 1 . 1 139 139 GLU HB2 H 1 1.797 0.007 . 2 . . . . . 139 GLU HB2 . 27095 1 1603 . 1 . 1 139 139 GLU HB3 H 1 1.901 0.000 . 2 . . . . . 139 GLU HB3 . 27095 1 1604 . 1 . 1 139 139 GLU HG2 H 1 2.096 0.002 . 1 . . . . . 139 GLU HG2 . 27095 1 1605 . 1 . 1 139 139 GLU N N 15 126.404 0.014 . 1 . . . . . 139 GLU N . 27095 1 1606 . 1 . 1 140 140 GLU C C 13 179.352 0.040 . 1 . . . . . 140 GLU C . 27095 1 1607 . 1 . 1 140 140 GLU CA C 13 58.882 0.114 . 1 . . . . . 140 GLU CA . 27095 1 1608 . 1 . 1 140 140 GLU CB C 13 29.265 0.000 . 1 . . . . . 140 GLU CB . 27095 1 1609 . 1 . 1 140 140 GLU CG C 13 36.112 0.000 . 1 . . . . . 140 GLU CG . 27095 1 1610 . 1 . 1 140 140 GLU H H 1 7.339 0.004 . 1 . . . . . 140 GLU H . 27095 1 1611 . 1 . 1 140 140 GLU HA H 1 3.956 0.000 . 1 . . . . . 140 GLU HA . 27095 1 1612 . 1 . 1 140 140 GLU N N 15 117.564 0.015 . 1 . . . . . 140 GLU N . 27095 1 1613 . 1 . 1 141 141 PHE C C 13 177.523 0.031 . 1 . . . . . 141 PHE C . 27095 1 1614 . 1 . 1 141 141 PHE CA C 13 59.874 0.048 . 1 . . . . . 141 PHE CA . 27095 1 1615 . 1 . 1 141 141 PHE CB C 13 39.265 0.061 . 1 . . . . . 141 PHE CB . 27095 1 1616 . 1 . 1 141 141 PHE CD1 C 13 130.736 0.031 . 1 . . . . . 141 PHE CD1 . 27095 1 1617 . 1 . 1 141 141 PHE CD2 C 13 130.736 0.031 . 1 . . . . . 141 PHE CD2 . 27095 1 1618 . 1 . 1 141 141 PHE H H 1 7.364 0.010 . 1 . . . . . 141 PHE H . 27095 1 1619 . 1 . 1 141 141 PHE HA H 1 4.539 0.002 . 1 . . . . . 141 PHE HA . 27095 1 1620 . 1 . 1 141 141 PHE HB2 H 1 2.855 0.009 . 2 . . . . . 141 PHE HB2 . 27095 1 1621 . 1 . 1 141 141 PHE HB3 H 1 3.193 0.007 . 2 . . . . . 141 PHE HB3 . 27095 1 1622 . 1 . 1 141 141 PHE HD1 H 1 7.097 0.006 . 1 . . . . . 141 PHE HD1 . 27095 1 1623 . 1 . 1 141 141 PHE HD2 H 1 7.097 0.006 . 1 . . . . . 141 PHE HD2 . 27095 1 1624 . 1 . 1 141 141 PHE HE1 H 1 7.151 0.003 . 1 . . . . . 141 PHE HE1 . 27095 1 1625 . 1 . 1 141 141 PHE HE2 H 1 7.151 0.003 . 1 . . . . . 141 PHE HE2 . 27095 1 1626 . 1 . 1 141 141 PHE N N 15 119.997 0.050 . 1 . . . . . 141 PHE N . 27095 1 1627 . 1 . 1 142 142 VAL C C 13 178.775 0.016 . 1 . . . . . 142 VAL C . 27095 1 1628 . 1 . 1 142 142 VAL CA C 13 67.479 0.050 . 1 . . . . . 142 VAL CA . 27095 1 1629 . 1 . 1 142 142 VAL CB C 13 31.488 0.069 . 1 . . . . . 142 VAL CB . 27095 1 1630 . 1 . 1 142 142 VAL CG1 C 13 22.350 0.068 . 2 . . . . . 142 VAL CG1 . 27095 1 1631 . 1 . 1 142 142 VAL CG2 C 13 24.431 0.039 . 2 . . . . . 142 VAL CG2 . 27095 1 1632 . 1 . 1 142 142 VAL H H 1 8.413 0.004 . 1 . . . . . 142 VAL H . 27095 1 1633 . 1 . 1 142 142 VAL HA H 1 3.326 0.003 . 1 . . . . . 142 VAL HA . 27095 1 1634 . 1 . 1 142 142 VAL HB H 1 2.336 0.002 . 1 . . . . . 142 VAL HB . 27095 1 1635 . 1 . 1 142 142 VAL HG11 H 1 0.976 0.004 . 2 . . . . . 142 VAL HG11 . 27095 1 1636 . 1 . 1 142 142 VAL HG12 H 1 0.976 0.004 . 2 . . . . . 142 VAL HG12 . 27095 1 1637 . 1 . 1 142 142 VAL HG13 H 1 0.976 0.004 . 2 . . . . . 142 VAL HG13 . 27095 1 1638 . 1 . 1 142 142 VAL HG21 H 1 1.129 0.008 . 2 . . . . . 142 VAL HG21 . 27095 1 1639 . 1 . 1 142 142 VAL HG22 H 1 1.129 0.008 . 2 . . . . . 142 VAL HG22 . 27095 1 1640 . 1 . 1 142 142 VAL HG23 H 1 1.129 0.008 . 2 . . . . . 142 VAL HG23 . 27095 1 1641 . 1 . 1 142 142 VAL N N 15 119.431 0.036 . 1 . . . . . 142 VAL N . 27095 1 1642 . 1 . 1 143 143 GLN C C 13 178.040 0.004 . 1 . . . . . 143 GLN C . 27095 1 1643 . 1 . 1 143 143 GLN CA C 13 58.704 0.101 . 1 . . . . . 143 GLN CA . 27095 1 1644 . 1 . 1 143 143 GLN CB C 13 27.993 0.088 . 1 . . . . . 143 GLN CB . 27095 1 1645 . 1 . 1 143 143 GLN CG C 13 33.650 0.042 . 1 . . . . . 143 GLN CG . 27095 1 1646 . 1 . 1 143 143 GLN H H 1 7.798 0.005 . 1 . . . . . 143 GLN H . 27095 1 1647 . 1 . 1 143 143 GLN HA H 1 3.823 0.002 . 1 . . . . . 143 GLN HA . 27095 1 1648 . 1 . 1 143 143 GLN HB2 H 1 2.085 0.000 . 2 . . . . . 143 GLN HB2 . 27095 1 1649 . 1 . 1 143 143 GLN HB3 H 1 2.141 0.000 . 2 . . . . . 143 GLN HB3 . 27095 1 1650 . 1 . 1 143 143 GLN HG2 H 1 2.422 0.003 . 2 . . . . . 143 GLN HG2 . 27095 1 1651 . 1 . 1 143 143 GLN HG3 H 1 2.477 0.004 . 2 . . . . . 143 GLN HG3 . 27095 1 1652 . 1 . 1 143 143 GLN N N 15 118.482 0.018 . 1 . . . . . 143 GLN N . 27095 1 1653 . 1 . 1 144 144 MET C C 13 178.388 0.000 . 1 . . . . . 144 MET C . 27095 1 1654 . 1 . 1 144 144 MET CA C 13 58.860 0.071 . 1 . . . . . 144 MET CA . 27095 1 1655 . 1 . 1 144 144 MET CB C 13 32.776 0.018 . 1 . . . . . 144 MET CB . 27095 1 1656 . 1 . 1 144 144 MET CE C 13 17.168 0.036 . 1 . . . . . 144 MET CE . 27095 1 1657 . 1 . 1 144 144 MET CG C 13 31.399 0.040 . 1 . . . . . 144 MET CG . 27095 1 1658 . 1 . 1 144 144 MET H H 1 7.754 0.005 . 1 . . . . . 144 MET H . 27095 1 1659 . 1 . 1 144 144 MET HA H 1 4.045 0.003 . 1 . . . . . 144 MET HA . 27095 1 1660 . 1 . 1 144 144 MET HB2 H 1 2.172 0.002 . 1 . . . . . 144 MET HB2 . 27095 1 1661 . 1 . 1 144 144 MET HE1 H 1 1.854 0.001 . 1 . . . . . 144 MET HE1 . 27095 1 1662 . 1 . 1 144 144 MET HE2 H 1 1.854 0.001 . 1 . . . . . 144 MET HE2 . 27095 1 1663 . 1 . 1 144 144 MET HE3 H 1 1.854 0.001 . 1 . . . . . 144 MET HE3 . 27095 1 1664 . 1 . 1 144 144 MET HG2 H 1 2.255 0.009 . 2 . . . . . 144 MET HG2 . 27095 1 1665 . 1 . 1 144 144 MET HG3 H 1 2.559 0.007 . 2 . . . . . 144 MET HG3 . 27095 1 1666 . 1 . 1 144 144 MET N N 15 119.080 0.014 . 1 . . . . . 144 MET N . 27095 1 1667 . 1 . 1 145 145 MET C C 13 177.274 0.082 . 1 . . . . . 145 MET C . 27095 1 1668 . 1 . 1 145 145 MET CA C 13 58.509 0.098 . 1 . . . . . 145 MET CA . 27095 1 1669 . 1 . 1 145 145 MET CB C 13 34.711 0.020 . 1 . . . . . 145 MET CB . 27095 1 1670 . 1 . 1 145 145 MET CE C 13 17.268 0.005 . 1 . . . . . 145 MET CE . 27095 1 1671 . 1 . 1 145 145 MET CG C 13 32.195 0.080 . 1 . . . . . 145 MET CG . 27095 1 1672 . 1 . 1 145 145 MET H H 1 7.838 0.002 . 1 . . . . . 145 MET H . 27095 1 1673 . 1 . 1 145 145 MET HA H 1 3.867 0.005 . 1 . . . . . 145 MET HA . 27095 1 1674 . 1 . 1 145 145 MET HB2 H 1 1.818 0.004 . 2 . . . . . 145 MET HB2 . 27095 1 1675 . 1 . 1 145 145 MET HB3 H 1 2.011 0.004 . 2 . . . . . 145 MET HB3 . 27095 1 1676 . 1 . 1 145 145 MET HE1 H 1 1.855 0.001 . 1 . . . . . 145 MET HE1 . 27095 1 1677 . 1 . 1 145 145 MET HE2 H 1 1.855 0.001 . 1 . . . . . 145 MET HE2 . 27095 1 1678 . 1 . 1 145 145 MET HE3 H 1 1.855 0.001 . 1 . . . . . 145 MET HE3 . 27095 1 1679 . 1 . 1 145 145 MET HG2 H 1 1.736 0.011 . 2 . . . . . 145 MET HG2 . 27095 1 1680 . 1 . 1 145 145 MET HG3 H 1 2.210 0.011 . 2 . . . . . 145 MET HG3 . 27095 1 1681 . 1 . 1 145 145 MET N N 15 114.172 0.028 . 1 . . . . . 145 MET N . 27095 1 1682 . 1 . 1 146 146 THR C C 13 174.402 0.023 . 1 . . . . . 146 THR C . 27095 1 1683 . 1 . 1 146 146 THR CA C 13 61.775 0.056 . 1 . . . . . 146 THR CA . 27095 1 1684 . 1 . 1 146 146 THR CB C 13 69.995 0.072 . 1 . . . . . 146 THR CB . 27095 1 1685 . 1 . 1 146 146 THR CG2 C 13 21.965 0.049 . 1 . . . . . 146 THR CG2 . 27095 1 1686 . 1 . 1 146 146 THR H H 1 7.575 0.003 . 1 . . . . . 146 THR H . 27095 1 1687 . 1 . 1 146 146 THR HA H 1 4.415 0.005 . 1 . . . . . 146 THR HA . 27095 1 1688 . 1 . 1 146 146 THR HB H 1 4.404 0.008 . 1 . . . . . 146 THR HB . 27095 1 1689 . 1 . 1 146 146 THR HG21 H 1 1.155 0.002 . 1 . . . . . 146 THR HG21 . 27095 1 1690 . 1 . 1 146 146 THR HG22 H 1 1.155 0.002 . 1 . . . . . 146 THR HG22 . 27095 1 1691 . 1 . 1 146 146 THR HG23 H 1 1.155 0.002 . 1 . . . . . 146 THR HG23 . 27095 1 1692 . 1 . 1 146 146 THR N N 15 107.983 0.013 . 1 . . . . . 146 THR N . 27095 1 1693 . 1 . 1 147 147 ALA C C 13 177.232 0.019 . 1 . . . . . 147 ALA C . 27095 1 1694 . 1 . 1 147 147 ALA CA C 13 53.284 0.064 . 1 . . . . . 147 ALA CA . 27095 1 1695 . 1 . 1 147 147 ALA CB C 13 19.194 0.057 . 1 . . . . . 147 ALA CB . 27095 1 1696 . 1 . 1 147 147 ALA H H 1 7.395 0.005 . 1 . . . . . 147 ALA H . 27095 1 1697 . 1 . 1 147 147 ALA HA H 1 4.293 0.003 . 1 . . . . . 147 ALA HA . 27095 1 1698 . 1 . 1 147 147 ALA HB1 H 1 1.506 0.003 . 1 . . . . . 147 ALA HB1 . 27095 1 1699 . 1 . 1 147 147 ALA HB2 H 1 1.506 0.003 . 1 . . . . . 147 ALA HB2 . 27095 1 1700 . 1 . 1 147 147 ALA HB3 H 1 1.506 0.003 . 1 . . . . . 147 ALA HB3 . 27095 1 1701 . 1 . 1 147 147 ALA N N 15 126.376 0.013 . 1 . . . . . 147 ALA N . 27095 1 1702 . 1 . 1 148 148 LYS CA C 13 57.922 0.000 . 1 . . . . . 148 LYS CA . 27095 1 1703 . 1 . 1 148 148 LYS CB C 13 33.663 0.000 . 1 . . . . . 148 LYS CB . 27095 1 1704 . 1 . 1 148 148 LYS H H 1 8.097 0.001 . 1 . . . . . 148 LYS H . 27095 1 1705 . 1 . 1 148 148 LYS N N 15 126.442 0.009 . 1 . . . . . 148 LYS N . 27095 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27095 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27095 2 2 '3D HNCACB' . . . 27095 2 3 '3D CBCA(CO)NH' . . . 27095 2 4 '3D HNCO' . . . 27095 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Analysis . . 27095 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 . 3 . 2 2 2 PRO C C 13 177.520 0.000 . 1 . . . . . -3 PRO C . 27095 2 2 . 3 . 2 2 2 PRO CA C 13 63.529 0.017 . 1 . . . . . -3 PRO CA . 27095 2 3 . 3 . 2 2 2 PRO CB C 13 32.249 0.038 . 1 . . . . . -3 PRO CB . 27095 2 4 . 3 . 2 2 2 PRO CD C 13 49.660 0.015 . 1 . . . . . -3 PRO CD . 27095 2 5 . 3 . 2 2 2 PRO CG C 13 27.152 0.040 . 1 . . . . . -3 PRO CG . 27095 2 6 . 3 . 2 2 2 PRO HA H 1 4.472 0.002 . 1 . . . . . -3 PRO HA . 27095 2 7 . 3 . 2 2 2 PRO HB2 H 1 1.988 0.002 . 2 . . . . . -3 PRO HB2 . 27095 2 8 . 3 . 2 2 2 PRO HB3 H 1 2.311 0.003 . 2 . . . . . -3 PRO HB3 . 27095 2 9 . 3 . 2 2 2 PRO HD2 H 1 3.568 0.005 . 2 . . . . . -3 PRO HD2 . 27095 2 10 . 3 . 2 2 2 PRO HD3 H 1 3.606 0.004 . 2 . . . . . -3 PRO HD3 . 27095 2 11 . 3 . 2 2 2 PRO HG2 H 1 2.032 0.001 . 1 . . . . . -3 PRO HG2 . 27095 2 12 . 3 . 2 3 3 GLY C C 13 174.479 0.000 . 1 . . . . . -2 GLY C . 27095 2 13 . 3 . 2 3 3 GLY CA C 13 45.360 0.066 . 1 . . . . . -2 GLY CA . 27095 2 14 . 3 . 2 3 3 GLY HA2 H 1 3.986 0.004 . 1 . . . . . -2 GLY HA2 . 27095 2 15 . 3 . 2 4 4 SER C C 13 175.135 0.021 . 1 . . . . . -1 SER C . 27095 2 16 . 3 . 2 4 4 SER CA C 13 58.812 0.081 . 1 . . . . . -1 SER CA . 27095 2 17 . 3 . 2 4 4 SER CB C 13 63.628 0.091 . 1 . . . . . -1 SER CB . 27095 2 18 . 3 . 2 4 4 SER H H 1 8.179 0.003 . 1 . . . . . -1 SER H . 27095 2 19 . 3 . 2 4 4 SER HA H 1 4.387 0.002 . 1 . . . . . -1 SER HA . 27095 2 20 . 3 . 2 4 4 SER HB2 H 1 3.877 0.004 . 2 . . . . . -1 SER HB2 . 27095 2 21 . 3 . 2 4 4 SER HB3 H 1 3.939 0.004 . 2 . . . . . -1 SER HB3 . 27095 2 22 . 3 . 2 4 4 SER N N 15 115.924 0.008 . 1 . . . . . -1 SER N . 27095 2 23 . 3 . 2 5 5 LYS C C 13 177.125 0.011 . 1 . . . . . 1901 LYS C . 27095 2 24 . 3 . 2 5 5 LYS CA C 13 57.287 0.120 . 1 . . . . . 1901 LYS CA . 27095 2 25 . 3 . 2 5 5 LYS CB C 13 32.541 0.045 . 1 . . . . . 1901 LYS CB . 27095 2 26 . 3 . 2 5 5 LYS CD C 13 28.945 0.000 . 1 . . . . . 1901 LYS CD . 27095 2 27 . 3 . 2 5 5 LYS CG C 13 24.696 0.000 . 1 . . . . . 1901 LYS CG . 27095 2 28 . 3 . 2 5 5 LYS H H 1 8.456 0.003 . 1 . . . . . 1901 LYS H . 27095 2 29 . 3 . 2 5 5 LYS HA H 1 4.268 0.001 . 1 . . . . . 1901 LYS HA . 27095 2 30 . 3 . 2 5 5 LYS HB2 H 1 1.835 0.000 . 1 . . . . . 1901 LYS HB2 . 27095 2 31 . 3 . 2 5 5 LYS HD2 H 1 1.668 0.000 . 1 . . . . . 1901 LYS HD2 . 27095 2 32 . 3 . 2 5 5 LYS HE2 H 1 2.978 0.005 . 1 . . . . . 1901 LYS HE2 . 27095 2 33 . 3 . 2 5 5 LYS HG2 H 1 1.423 0.000 . 1 . . . . . 1901 LYS HG2 . 27095 2 34 . 3 . 2 5 5 LYS N N 15 124.096 0.019 . 1 . . . . . 1901 LYS N . 27095 2 35 . 3 . 2 6 6 ARG C C 13 177.560 0.003 . 1 . . . . . 1902 ARG C . 27095 2 36 . 3 . 2 6 6 ARG CA C 13 57.229 0.086 . 1 . . . . . 1902 ARG CA . 27095 2 37 . 3 . 2 6 6 ARG CB C 13 30.401 0.041 . 1 . . . . . 1902 ARG CB . 27095 2 38 . 3 . 2 6 6 ARG CD C 13 43.141 0.056 . 1 . . . . . 1902 ARG CD . 27095 2 39 . 3 . 2 6 6 ARG CG C 13 27.126 0.031 . 1 . . . . . 1902 ARG CG . 27095 2 40 . 3 . 2 6 6 ARG H H 1 8.189 0.002 . 1 . . . . . 1902 ARG H . 27095 2 41 . 3 . 2 6 6 ARG HA H 1 4.279 0.004 . 1 . . . . . 1902 ARG HA . 27095 2 42 . 3 . 2 6 6 ARG HB2 H 1 1.806 0.005 . 1 . . . . . 1902 ARG HB2 . 27095 2 43 . 3 . 2 6 6 ARG HD2 H 1 3.213 0.003 . 1 . . . . . 1902 ARG HD2 . 27095 2 44 . 3 . 2 6 6 ARG HG2 H 1 1.679 0.003 . 1 . . . . . 1902 ARG HG2 . 27095 2 45 . 3 . 2 6 6 ARG N N 15 120.715 0.024 . 1 . . . . . 1902 ARG N . 27095 2 46 . 3 . 2 7 7 LYS C C 13 177.822 0.026 . 1 . . . . . 1903 LYS C . 27095 2 47 . 3 . 2 7 7 LYS CA C 13 57.732 0.065 . 1 . . . . . 1903 LYS CA . 27095 2 48 . 3 . 2 7 7 LYS CB C 13 32.348 0.040 . 1 . . . . . 1903 LYS CB . 27095 2 49 . 3 . 2 7 7 LYS CD C 13 28.900 0.000 . 1 . . . . . 1903 LYS CD . 27095 2 50 . 3 . 2 7 7 LYS CG C 13 24.879 0.000 . 1 . . . . . 1903 LYS CG . 27095 2 51 . 3 . 2 7 7 LYS H H 1 8.292 0.004 . 1 . . . . . 1903 LYS H . 27095 2 52 . 3 . 2 7 7 LYS HA H 1 4.235 0.003 . 1 . . . . . 1903 LYS HA . 27095 2 53 . 3 . 2 7 7 LYS HB2 H 1 1.943 0.003 . 1 . . . . . 1903 LYS HB2 . 27095 2 54 . 3 . 2 7 7 LYS HE2 H 1 2.969 0.001 . 1 . . . . . 1903 LYS HE2 . 27095 2 55 . 3 . 2 7 7 LYS N N 15 121.311 0.030 . 1 . . . . . 1903 LYS N . 27095 2 56 . 3 . 2 8 8 GLN C C 13 178.816 0.011 . 1 . . . . . 1904 GLN C . 27095 2 57 . 3 . 2 8 8 GLN CA C 13 58.255 0.131 . 1 . . . . . 1904 GLN CA . 27095 2 58 . 3 . 2 8 8 GLN CB C 13 28.588 0.072 . 1 . . . . . 1904 GLN CB . 27095 2 59 . 3 . 2 8 8 GLN CG C 13 33.903 0.039 . 1 . . . . . 1904 GLN CG . 27095 2 60 . 3 . 2 8 8 GLN H H 1 8.347 0.006 . 1 . . . . . 1904 GLN H . 27095 2 61 . 3 . 2 8 8 GLN HA H 1 4.041 0.003 . 1 . . . . . 1904 GLN HA . 27095 2 62 . 3 . 2 8 8 GLN HB2 H 1 2.068 0.006 . 1 . . . . . 1904 GLN HB2 . 27095 2 63 . 3 . 2 8 8 GLN HG2 H 1 2.276 0.001 . 1 . . . . . 1904 GLN HG2 . 27095 2 64 . 3 . 2 8 8 GLN N N 15 119.967 0.034 . 1 . . . . . 1904 GLN N . 27095 2 65 . 3 . 2 9 9 GLU C C 13 177.589 0.050 . 1 . . . . . 1905 GLU C . 27095 2 66 . 3 . 2 9 9 GLU CA C 13 60.468 0.071 . 1 . . . . . 1905 GLU CA . 27095 2 67 . 3 . 2 9 9 GLU CB C 13 29.184 0.084 . 1 . . . . . 1905 GLU CB . 27095 2 68 . 3 . 2 9 9 GLU CG C 13 37.277 0.025 . 1 . . . . . 1905 GLU CG . 27095 2 69 . 3 . 2 9 9 GLU H H 1 8.876 0.009 . 1 . . . . . 1905 GLU H . 27095 2 70 . 3 . 2 9 9 GLU HA H 1 3.669 0.005 . 1 . . . . . 1905 GLU HA . 27095 2 71 . 3 . 2 9 9 GLU HB2 H 1 2.040 0.006 . 2 . . . . . 1905 GLU HB2 . 27095 2 72 . 3 . 2 9 9 GLU HB3 H 1 2.216 0.001 . 2 . . . . . 1905 GLU HB3 . 27095 2 73 . 3 . 2 9 9 GLU HG2 H 1 2.045 0.002 . 2 . . . . . 1905 GLU HG2 . 27095 2 74 . 3 . 2 9 9 GLU HG3 H 1 2.245 0.004 . 2 . . . . . 1905 GLU HG3 . 27095 2 75 . 3 . 2 9 9 GLU N N 15 120.732 0.022 . 1 . . . . . 1905 GLU N . 27095 2 76 . 3 . 2 10 10 GLU C C 13 177.444 0.007 . 1 . . . . . 1906 GLU C . 27095 2 77 . 3 . 2 10 10 GLU CA C 13 60.518 0.046 . 1 . . . . . 1906 GLU CA . 27095 2 78 . 3 . 2 10 10 GLU CB C 13 29.824 0.068 . 1 . . . . . 1906 GLU CB . 27095 2 79 . 3 . 2 10 10 GLU CG C 13 36.702 0.000 . 1 . . . . . 1906 GLU CG . 27095 2 80 . 3 . 2 10 10 GLU H H 1 7.934 0.005 . 1 . . . . . 1906 GLU H . 27095 2 81 . 3 . 2 10 10 GLU HA H 1 3.947 0.002 . 1 . . . . . 1906 GLU HA . 27095 2 82 . 3 . 2 10 10 GLU HB2 H 1 2.205 0.000 . 1 . . . . . 1906 GLU HB2 . 27095 2 83 . 3 . 2 10 10 GLU HG2 H 1 2.291 0.000 . 1 . . . . . 1906 GLU HG2 . 27095 2 84 . 3 . 2 10 10 GLU N N 15 119.109 0.051 . 1 . . . . . 1906 GLU N . 27095 2 85 . 3 . 2 11 11 VAL C C 13 178.674 0.015 . 1 . . . . . 1907 VAL C . 27095 2 86 . 3 . 2 11 11 VAL CA C 13 66.214 0.059 . 1 . . . . . 1907 VAL CA . 27095 2 87 . 3 . 2 11 11 VAL CB C 13 31.996 0.088 . 1 . . . . . 1907 VAL CB . 27095 2 88 . 3 . 2 11 11 VAL CG1 C 13 21.167 0.026 . 2 . . . . . 1907 VAL CG1 . 27095 2 89 . 3 . 2 11 11 VAL CG2 C 13 22.464 0.034 . 2 . . . . . 1907 VAL CG2 . 27095 2 90 . 3 . 2 11 11 VAL H H 1 7.814 0.007 . 1 . . . . . 1907 VAL H . 27095 2 91 . 3 . 2 11 11 VAL HA H 1 3.598 0.005 . 1 . . . . . 1907 VAL HA . 27095 2 92 . 3 . 2 11 11 VAL HB H 1 2.109 0.006 . 1 . . . . . 1907 VAL HB . 27095 2 93 . 3 . 2 11 11 VAL HG11 H 1 0.955 0.003 . 2 . . . . . 1907 VAL HG11 . 27095 2 94 . 3 . 2 11 11 VAL HG12 H 1 0.955 0.003 . 2 . . . . . 1907 VAL HG12 . 27095 2 95 . 3 . 2 11 11 VAL HG13 H 1 0.955 0.003 . 2 . . . . . 1907 VAL HG13 . 27095 2 96 . 3 . 2 11 11 VAL HG21 H 1 1.034 0.004 . 2 . . . . . 1907 VAL HG21 . 27095 2 97 . 3 . 2 11 11 VAL HG22 H 1 1.034 0.004 . 2 . . . . . 1907 VAL HG22 . 27095 2 98 . 3 . 2 11 11 VAL HG23 H 1 1.034 0.004 . 2 . . . . . 1907 VAL HG23 . 27095 2 99 . 3 . 2 11 11 VAL N N 15 116.473 0.026 . 1 . . . . . 1907 VAL N . 27095 2 100 . 3 . 2 12 12 SER C C 13 174.794 0.042 . 1 . . . . . 1908 SER C . 27095 2 101 . 3 . 2 12 12 SER CA C 13 63.040 0.102 . 1 . . . . . 1908 SER CA . 27095 2 102 . 3 . 2 12 12 SER H H 1 7.973 0.003 . 1 . . . . . 1908 SER H . 27095 2 103 . 3 . 2 12 12 SER HA H 1 4.091 0.002 . 1 . . . . . 1908 SER HA . 27095 2 104 . 3 . 2 12 12 SER HB2 H 1 3.862 0.005 . 2 . . . . . 1908 SER HB2 . 27095 2 105 . 3 . 2 12 12 SER HB3 H 1 4.015 0.004 . 2 . . . . . 1908 SER HB3 . 27095 2 106 . 3 . 2 12 12 SER N N 15 115.895 0.045 . 1 . . . . . 1908 SER N . 27095 2 107 . 3 . 2 13 13 ALA C C 13 178.016 0.039 . 1 . . . . . 1909 ALA C . 27095 2 108 . 3 . 2 13 13 ALA CA C 13 56.155 0.098 . 1 . . . . . 1909 ALA CA . 27095 2 109 . 3 . 2 13 13 ALA CB C 13 17.715 0.083 . 1 . . . . . 1909 ALA CB . 27095 2 110 . 3 . 2 13 13 ALA H H 1 8.348 0.006 . 1 . . . . . 1909 ALA H . 27095 2 111 . 3 . 2 13 13 ALA HA H 1 3.586 0.005 . 1 . . . . . 1909 ALA HA . 27095 2 112 . 3 . 2 13 13 ALA HB1 H 1 1.278 0.003 . 1 . . . . . 1909 ALA HB1 . 27095 2 113 . 3 . 2 13 13 ALA HB2 H 1 1.278 0.003 . 1 . . . . . 1909 ALA HB2 . 27095 2 114 . 3 . 2 13 13 ALA HB3 H 1 1.278 0.003 . 1 . . . . . 1909 ALA HB3 . 27095 2 115 . 3 . 2 13 13 ALA N N 15 123.361 0.009 . 1 . . . . . 1909 ALA N . 27095 2 116 . 3 . 2 14 14 ILE C C 13 178.151 0.004 . 1 . . . . . 1910 ILE C . 27095 2 117 . 3 . 2 14 14 ILE CA C 13 65.074 0.058 . 1 . . . . . 1910 ILE CA . 27095 2 118 . 3 . 2 14 14 ILE CB C 13 38.163 0.022 . 1 . . . . . 1910 ILE CB . 27095 2 119 . 3 . 2 14 14 ILE CD1 C 13 13.893 0.078 . 1 . . . . . 1910 ILE CD1 . 27095 2 120 . 3 . 2 14 14 ILE CG1 C 13 31.031 0.036 . 1 . . . . . 1910 ILE CG1 . 27095 2 121 . 3 . 2 14 14 ILE CG2 C 13 16.900 0.056 . 1 . . . . . 1910 ILE CG2 . 27095 2 122 . 3 . 2 14 14 ILE H H 1 7.676 0.005 . 1 . . . . . 1910 ILE H . 27095 2 123 . 3 . 2 14 14 ILE HA H 1 4.315 0.004 . 1 . . . . . 1910 ILE HA . 27095 2 124 . 3 . 2 14 14 ILE HB H 1 1.867 0.006 . 1 . . . . . 1910 ILE HB . 27095 2 125 . 3 . 2 14 14 ILE HD11 H 1 0.868 0.007 . 1 . . . . . 1910 ILE HD11 . 27095 2 126 . 3 . 2 14 14 ILE HD12 H 1 0.868 0.007 . 1 . . . . . 1910 ILE HD12 . 27095 2 127 . 3 . 2 14 14 ILE HD13 H 1 0.868 0.007 . 1 . . . . . 1910 ILE HD13 . 27095 2 128 . 3 . 2 14 14 ILE HG12 H 1 0.901 0.004 . 2 . . . . . 1910 ILE HG12 . 27095 2 129 . 3 . 2 14 14 ILE HG13 H 1 2.074 0.008 . 2 . . . . . 1910 ILE HG13 . 27095 2 130 . 3 . 2 14 14 ILE HG21 H 1 0.824 0.004 . 1 . . . . . 1910 ILE HG21 . 27095 2 131 . 3 . 2 14 14 ILE HG22 H 1 0.824 0.004 . 1 . . . . . 1910 ILE HG22 . 27095 2 132 . 3 . 2 14 14 ILE HG23 H 1 0.824 0.004 . 1 . . . . . 1910 ILE HG23 . 27095 2 133 . 3 . 2 14 14 ILE N N 15 117.173 0.017 . 1 . . . . . 1910 ILE N . 27095 2 134 . 3 . 2 15 15 ILE C C 13 179.245 0.022 . 1 . . . . . 1911 ILE C . 27095 2 135 . 3 . 2 15 15 ILE CA C 13 65.554 0.038 . 1 . . . . . 1911 ILE CA . 27095 2 136 . 3 . 2 15 15 ILE CB C 13 38.124 0.042 . 1 . . . . . 1911 ILE CB . 27095 2 137 . 3 . 2 15 15 ILE CD1 C 13 14.034 0.034 . 1 . . . . . 1911 ILE CD1 . 27095 2 138 . 3 . 2 15 15 ILE CG1 C 13 29.431 0.088 . 1 . . . . . 1911 ILE CG1 . 27095 2 139 . 3 . 2 15 15 ILE CG2 C 13 17.660 0.051 . 1 . . . . . 1911 ILE CG2 . 27095 2 140 . 3 . 2 15 15 ILE H H 1 7.671 0.003 . 1 . . . . . 1911 ILE H . 27095 2 141 . 3 . 2 15 15 ILE HA H 1 3.540 0.003 . 1 . . . . . 1911 ILE HA . 27095 2 142 . 3 . 2 15 15 ILE HB H 1 1.938 0.006 . 1 . . . . . 1911 ILE HB . 27095 2 143 . 3 . 2 15 15 ILE HD11 H 1 0.823 0.004 . 1 . . . . . 1911 ILE HD11 . 27095 2 144 . 3 . 2 15 15 ILE HD12 H 1 0.823 0.004 . 1 . . . . . 1911 ILE HD12 . 27095 2 145 . 3 . 2 15 15 ILE HD13 H 1 0.823 0.004 . 1 . . . . . 1911 ILE HD13 . 27095 2 146 . 3 . 2 15 15 ILE HG12 H 1 1.078 0.005 . 2 . . . . . 1911 ILE HG12 . 27095 2 147 . 3 . 2 15 15 ILE HG13 H 1 1.802 0.006 . 2 . . . . . 1911 ILE HG13 . 27095 2 148 . 3 . 2 15 15 ILE HG21 H 1 0.749 0.004 . 1 . . . . . 1911 ILE HG21 . 27095 2 149 . 3 . 2 15 15 ILE HG22 H 1 0.749 0.004 . 1 . . . . . 1911 ILE HG22 . 27095 2 150 . 3 . 2 15 15 ILE HG23 H 1 0.749 0.004 . 1 . . . . . 1911 ILE HG23 . 27095 2 151 . 3 . 2 15 15 ILE N N 15 119.870 0.051 . 1 . . . . . 1911 ILE N . 27095 2 152 . 3 . 2 16 16 ILE C C 13 177.240 0.020 . 1 . . . . . 1912 ILE C . 27095 2 153 . 3 . 2 16 16 ILE CA C 13 66.208 0.043 . 1 . . . . . 1912 ILE CA . 27095 2 154 . 3 . 2 16 16 ILE CB C 13 38.819 0.040 . 1 . . . . . 1912 ILE CB . 27095 2 155 . 3 . 2 16 16 ILE CD1 C 13 12.542 0.040 . 1 . . . . . 1912 ILE CD1 . 27095 2 156 . 3 . 2 16 16 ILE CG1 C 13 29.244 0.055 . 1 . . . . . 1912 ILE CG1 . 27095 2 157 . 3 . 2 16 16 ILE CG2 C 13 18.571 0.073 . 1 . . . . . 1912 ILE CG2 . 27095 2 158 . 3 . 2 16 16 ILE H H 1 7.441 0.005 . 1 . . . . . 1912 ILE H . 27095 2 159 . 3 . 2 16 16 ILE HA H 1 3.285 0.004 . 1 . . . . . 1912 ILE HA . 27095 2 160 . 3 . 2 16 16 ILE HB H 1 1.537 0.006 . 1 . . . . . 1912 ILE HB . 27095 2 161 . 3 . 2 16 16 ILE HD11 H 1 -0.232 0.004 . 1 . . . . . 1912 ILE HD11 . 27095 2 162 . 3 . 2 16 16 ILE HD12 H 1 -0.232 0.004 . 1 . . . . . 1912 ILE HD12 . 27095 2 163 . 3 . 2 16 16 ILE HD13 H 1 -0.232 0.004 . 1 . . . . . 1912 ILE HD13 . 27095 2 164 . 3 . 2 16 16 ILE HG12 H 1 -0.007 0.006 . 2 . . . . . 1912 ILE HG12 . 27095 2 165 . 3 . 2 16 16 ILE HG13 H 1 1.485 0.004 . 2 . . . . . 1912 ILE HG13 . 27095 2 166 . 3 . 2 16 16 ILE HG21 H 1 0.561 0.003 . 1 . . . . . 1912 ILE HG21 . 27095 2 167 . 3 . 2 16 16 ILE HG22 H 1 0.561 0.003 . 1 . . . . . 1912 ILE HG22 . 27095 2 168 . 3 . 2 16 16 ILE HG23 H 1 0.561 0.003 . 1 . . . . . 1912 ILE HG23 . 27095 2 169 . 3 . 2 16 16 ILE N N 15 119.970 0.023 . 1 . . . . . 1912 ILE N . 27095 2 170 . 3 . 2 17 17 GLN C C 13 179.057 0.009 . 1 . . . . . 1913 GLN C . 27095 2 171 . 3 . 2 17 17 GLN CA C 13 60.163 0.094 . 1 . . . . . 1913 GLN CA . 27095 2 172 . 3 . 2 17 17 GLN CB C 13 26.850 0.092 . 1 . . . . . 1913 GLN CB . 27095 2 173 . 3 . 2 17 17 GLN CG C 13 35.149 0.008 . 1 . . . . . 1913 GLN CG . 27095 2 174 . 3 . 2 17 17 GLN H H 1 9.105 0.005 . 1 . . . . . 1913 GLN H . 27095 2 175 . 3 . 2 17 17 GLN HA H 1 3.760 0.005 . 1 . . . . . 1913 GLN HA . 27095 2 176 . 3 . 2 17 17 GLN HB2 H 1 1.895 0.004 . 2 . . . . . 1913 GLN HB2 . 27095 2 177 . 3 . 2 17 17 GLN HB3 H 1 2.642 0.000 . 2 . . . . . 1913 GLN HB3 . 27095 2 178 . 3 . 2 17 17 GLN HG2 H 1 2.464 0.004 . 2 . . . . . 1913 GLN HG2 . 27095 2 179 . 3 . 2 17 17 GLN HG3 H 1 2.289 0.004 . 2 . . . . . 1913 GLN HG3 . 27095 2 180 . 3 . 2 17 17 GLN N N 15 120.401 0.015 . 1 . . . . . 1913 GLN N . 27095 2 181 . 3 . 2 18 18 ARG C C 13 180.100 0.002 . 1 . . . . . 1914 ARG C . 27095 2 182 . 3 . 2 18 18 ARG CA C 13 60.019 0.079 . 1 . . . . . 1914 ARG CA . 27095 2 183 . 3 . 2 18 18 ARG CB C 13 30.243 0.057 . 1 . . . . . 1914 ARG CB . 27095 2 184 . 3 . 2 18 18 ARG CD C 13 44.141 0.017 . 1 . . . . . 1914 ARG CD . 27095 2 185 . 3 . 2 18 18 ARG CG C 13 28.331 0.022 . 1 . . . . . 1914 ARG CG . 27095 2 186 . 3 . 2 18 18 ARG H H 1 9.081 0.003 . 1 . . . . . 1914 ARG H . 27095 2 187 . 3 . 2 18 18 ARG HA H 1 4.050 0.000 . 1 . . . . . 1914 ARG HA . 27095 2 188 . 3 . 2 18 18 ARG HB2 H 1 1.946 0.008 . 1 . . . . . 1914 ARG HB2 . 27095 2 189 . 3 . 2 18 18 ARG HD2 H 1 2.969 0.003 . 2 . . . . . 1914 ARG HD2 . 27095 2 190 . 3 . 2 18 18 ARG HD3 H 1 3.120 0.004 . 2 . . . . . 1914 ARG HD3 . 27095 2 191 . 3 . 2 18 18 ARG HG2 H 1 1.684 0.003 . 2 . . . . . 1914 ARG HG2 . 27095 2 192 . 3 . 2 18 18 ARG HG3 H 1 2.115 0.002 . 2 . . . . . 1914 ARG HG3 . 27095 2 193 . 3 . 2 18 18 ARG N N 15 117.024 0.022 . 1 . . . . . 1914 ARG N . 27095 2 194 . 3 . 2 19 19 ALA C C 13 180.510 0.019 . 1 . . . . . 1915 ALA C . 27095 2 195 . 3 . 2 19 19 ALA CA C 13 55.271 0.067 . 1 . . . . . 1915 ALA CA . 27095 2 196 . 3 . 2 19 19 ALA CB C 13 18.639 0.071 . 1 . . . . . 1915 ALA CB . 27095 2 197 . 3 . 2 19 19 ALA H H 1 7.983 0.002 . 1 . . . . . 1915 ALA H . 27095 2 198 . 3 . 2 19 19 ALA HA H 1 4.154 0.003 . 1 . . . . . 1915 ALA HA . 27095 2 199 . 3 . 2 19 19 ALA HB1 H 1 1.578 0.002 . 1 . . . . . 1915 ALA HB1 . 27095 2 200 . 3 . 2 19 19 ALA HB2 H 1 1.578 0.002 . 1 . . . . . 1915 ALA HB2 . 27095 2 201 . 3 . 2 19 19 ALA HB3 H 1 1.578 0.002 . 1 . . . . . 1915 ALA HB3 . 27095 2 202 . 3 . 2 19 19 ALA N N 15 122.810 0.015 . 1 . . . . . 1915 ALA N . 27095 2 203 . 3 . 2 20 20 TYR C C 13 177.404 0.014 . 1 . . . . . 1916 TYR C . 27095 2 204 . 3 . 2 20 20 TYR CA C 13 62.042 0.063 . 1 . . . . . 1916 TYR CA . 27095 2 205 . 3 . 2 20 20 TYR CB C 13 38.290 0.048 . 1 . . . . . 1916 TYR CB . 27095 2 206 . 3 . 2 20 20 TYR CD1 C 13 132.299 0.029 . 1 . . . . . 1916 TYR CD1 . 27095 2 207 . 3 . 2 20 20 TYR CD2 C 13 132.299 0.029 . 1 . . . . . 1916 TYR CD2 . 27095 2 208 . 3 . 2 20 20 TYR CE1 C 13 118.521 0.011 . 1 . . . . . 1916 TYR CE1 . 27095 2 209 . 3 . 2 20 20 TYR CE2 C 13 118.521 0.011 . 1 . . . . . 1916 TYR CE2 . 27095 2 210 . 3 . 2 20 20 TYR H H 1 9.325 0.002 . 1 . . . . . 1916 TYR H . 27095 2 211 . 3 . 2 20 20 TYR HA H 1 4.520 0.005 . 1 . . . . . 1916 TYR HA . 27095 2 212 . 3 . 2 20 20 TYR HB2 H 1 2.960 0.005 . 2 . . . . . 1916 TYR HB2 . 27095 2 213 . 3 . 2 20 20 TYR HB3 H 1 3.214 0.005 . 2 . . . . . 1916 TYR HB3 . 27095 2 214 . 3 . 2 20 20 TYR HD1 H 1 7.032 0.005 . 1 . . . . . 1916 TYR HD1 . 27095 2 215 . 3 . 2 20 20 TYR HD2 H 1 7.032 0.005 . 1 . . . . . 1916 TYR HD2 . 27095 2 216 . 3 . 2 20 20 TYR HE1 H 1 6.916 0.002 . 1 . . . . . 1916 TYR HE1 . 27095 2 217 . 3 . 2 20 20 TYR HE2 H 1 6.916 0.002 . 1 . . . . . 1916 TYR HE2 . 27095 2 218 . 3 . 2 20 20 TYR N N 15 122.236 0.009 . 1 . . . . . 1916 TYR N . 27095 2 219 . 3 . 2 21 21 ARG C C 13 179.510 0.010 . 1 . . . . . 1917 ARG C . 27095 2 220 . 3 . 2 21 21 ARG CA C 13 61.147 0.038 . 1 . . . . . 1917 ARG CA . 27095 2 221 . 3 . 2 21 21 ARG CB C 13 29.660 0.077 . 1 . . . . . 1917 ARG CB . 27095 2 222 . 3 . 2 21 21 ARG CD C 13 43.108 0.055 . 1 . . . . . 1917 ARG CD . 27095 2 223 . 3 . 2 21 21 ARG CG C 13 30.939 0.010 . 1 . . . . . 1917 ARG CG . 27095 2 224 . 3 . 2 21 21 ARG H H 1 8.652 0.002 . 1 . . . . . 1917 ARG H . 27095 2 225 . 3 . 2 21 21 ARG HA H 1 3.790 0.005 . 1 . . . . . 1917 ARG HA . 27095 2 226 . 3 . 2 21 21 ARG HB2 H 1 1.842 0.001 . 1 . . . . . 1917 ARG HB2 . 27095 2 227 . 3 . 2 21 21 ARG HD2 H 1 3.014 0.002 . 2 . . . . . 1917 ARG HD2 . 27095 2 228 . 3 . 2 21 21 ARG HD3 H 1 3.193 0.003 . 2 . . . . . 1917 ARG HD3 . 27095 2 229 . 3 . 2 21 21 ARG HG2 H 1 1.524 0.002 . 2 . . . . . 1917 ARG HG2 . 27095 2 230 . 3 . 2 21 21 ARG HG3 H 1 1.992 0.003 . 2 . . . . . 1917 ARG HG3 . 27095 2 231 . 3 . 2 21 21 ARG N N 15 118.222 0.027 . 1 . . . . . 1917 ARG N . 27095 2 232 . 3 . 2 22 22 ARG C C 13 178.603 0.012 . 1 . . . . . 1918 ARG C . 27095 2 233 . 3 . 2 22 22 ARG CA C 13 59.977 0.084 . 1 . . . . . 1918 ARG CA . 27095 2 234 . 3 . 2 22 22 ARG CB C 13 30.365 0.035 . 1 . . . . . 1918 ARG CB . 27095 2 235 . 3 . 2 22 22 ARG CD C 13 43.572 0.042 . 1 . . . . . 1918 ARG CD . 27095 2 236 . 3 . 2 22 22 ARG CG C 13 28.170 0.070 . 1 . . . . . 1918 ARG CG . 27095 2 237 . 3 . 2 22 22 ARG H H 1 7.934 0.003 . 1 . . . . . 1918 ARG H . 27095 2 238 . 3 . 2 22 22 ARG HA H 1 4.058 0.006 . 1 . . . . . 1918 ARG HA . 27095 2 239 . 3 . 2 22 22 ARG HB2 H 1 2.036 0.005 . 1 . . . . . 1918 ARG HB2 . 27095 2 240 . 3 . 2 22 22 ARG HD2 H 1 3.330 0.004 . 2 . . . . . 1918 ARG HD2 . 27095 2 241 . 3 . 2 22 22 ARG HD3 H 1 3.237 0.007 . 2 . . . . . 1918 ARG HD3 . 27095 2 242 . 3 . 2 22 22 ARG HG2 H 1 1.575 0.005 . 2 . . . . . 1918 ARG HG2 . 27095 2 243 . 3 . 2 22 22 ARG HG3 H 1 1.890 0.006 . 2 . . . . . 1918 ARG HG3 . 27095 2 244 . 3 . 2 22 22 ARG N N 15 119.497 0.047 . 1 . . . . . 1918 ARG N . 27095 2 245 . 3 . 2 23 23 TYR C C 13 177.422 0.024 . 1 . . . . . 1919 TYR C . 27095 2 246 . 3 . 2 23 23 TYR CA C 13 60.813 0.065 . 1 . . . . . 1919 TYR CA . 27095 2 247 . 3 . 2 23 23 TYR CB C 13 37.784 0.031 . 1 . . . . . 1919 TYR CB . 27095 2 248 . 3 . 2 23 23 TYR CD1 C 13 133.538 0.018 . 1 . . . . . 1919 TYR CD1 . 27095 2 249 . 3 . 2 23 23 TYR CD2 C 13 133.538 0.018 . 1 . . . . . 1919 TYR CD2 . 27095 2 250 . 3 . 2 23 23 TYR CE1 C 13 118.502 0.016 . 1 . . . . . 1919 TYR CE1 . 27095 2 251 . 3 . 2 23 23 TYR CE2 C 13 118.502 0.016 . 1 . . . . . 1919 TYR CE2 . 27095 2 252 . 3 . 2 23 23 TYR H H 1 7.881 0.003 . 1 . . . . . 1919 TYR H . 27095 2 253 . 3 . 2 23 23 TYR HA H 1 4.299 0.005 . 1 . . . . . 1919 TYR HA . 27095 2 254 . 3 . 2 23 23 TYR HB2 H 1 3.247 0.004 . 2 . . . . . 1919 TYR HB2 . 27095 2 255 . 3 . 2 23 23 TYR HB3 H 1 3.389 0.008 . 2 . . . . . 1919 TYR HB3 . 27095 2 256 . 3 . 2 23 23 TYR HD1 H 1 7.040 0.001 . 1 . . . . . 1919 TYR HD1 . 27095 2 257 . 3 . 2 23 23 TYR HD2 H 1 7.040 0.001 . 1 . . . . . 1919 TYR HD2 . 27095 2 258 . 3 . 2 23 23 TYR HE1 H 1 6.984 0.001 . 1 . . . . . 1919 TYR HE1 . 27095 2 259 . 3 . 2 23 23 TYR HE2 H 1 6.984 0.001 . 1 . . . . . 1919 TYR HE2 . 27095 2 260 . 3 . 2 23 23 TYR N N 15 123.132 0.028 . 1 . . . . . 1919 TYR N . 27095 2 261 . 3 . 2 24 24 LEU C C 13 180.033 0.016 . 1 . . . . . 1920 LEU C . 27095 2 262 . 3 . 2 24 24 LEU CA C 13 57.458 0.078 . 1 . . . . . 1920 LEU CA . 27095 2 263 . 3 . 2 24 24 LEU CB C 13 42.144 0.062 . 1 . . . . . 1920 LEU CB . 27095 2 264 . 3 . 2 24 24 LEU CD1 C 13 22.391 0.030 . 2 . . . . . 1920 LEU CD1 . 27095 2 265 . 3 . 2 24 24 LEU CD2 C 13 25.470 0.047 . 2 . . . . . 1920 LEU CD2 . 27095 2 266 . 3 . 2 24 24 LEU CG C 13 26.060 0.025 . 1 . . . . . 1920 LEU CG . 27095 2 267 . 3 . 2 24 24 LEU H H 1 8.441 0.002 . 1 . . . . . 1920 LEU H . 27095 2 268 . 3 . 2 24 24 LEU HA H 1 3.529 0.003 . 1 . . . . . 1920 LEU HA . 27095 2 269 . 3 . 2 24 24 LEU HB2 H 1 1.221 0.006 . 2 . . . . . 1920 LEU HB2 . 27095 2 270 . 3 . 2 24 24 LEU HB3 H 1 1.667 0.004 . 2 . . . . . 1920 LEU HB3 . 27095 2 271 . 3 . 2 24 24 LEU HD11 H 1 0.771 0.006 . 2 . . . . . 1920 LEU HD11 . 27095 2 272 . 3 . 2 24 24 LEU HD12 H 1 0.771 0.006 . 2 . . . . . 1920 LEU HD12 . 27095 2 273 . 3 . 2 24 24 LEU HD13 H 1 0.771 0.006 . 2 . . . . . 1920 LEU HD13 . 27095 2 274 . 3 . 2 24 24 LEU HD21 H 1 0.780 0.003 . 2 . . . . . 1920 LEU HD21 . 27095 2 275 . 3 . 2 24 24 LEU HD22 H 1 0.780 0.003 . 2 . . . . . 1920 LEU HD22 . 27095 2 276 . 3 . 2 24 24 LEU HD23 H 1 0.780 0.003 . 2 . . . . . 1920 LEU HD23 . 27095 2 277 . 3 . 2 24 24 LEU HG H 1 1.210 0.005 . 1 . . . . . 1920 LEU HG . 27095 2 278 . 3 . 2 24 24 LEU N N 15 120.413 0.013 . 1 . . . . . 1920 LEU N . 27095 2 279 . 3 . 2 25 25 LEU C C 13 179.162 0.005 . 1 . . . . . 1921 LEU C . 27095 2 280 . 3 . 2 25 25 LEU CA C 13 57.235 0.089 . 1 . . . . . 1921 LEU CA . 27095 2 281 . 3 . 2 25 25 LEU CB C 13 41.936 0.034 . 1 . . . . . 1921 LEU CB . 27095 2 282 . 3 . 2 25 25 LEU CD1 C 13 23.724 0.020 . 2 . . . . . 1921 LEU CD1 . 27095 2 283 . 3 . 2 25 25 LEU CD2 C 13 24.804 0.021 . 2 . . . . . 1921 LEU CD2 . 27095 2 284 . 3 . 2 25 25 LEU CG C 13 26.966 0.060 . 1 . . . . . 1921 LEU CG . 27095 2 285 . 3 . 2 25 25 LEU H H 1 7.496 0.003 . 1 . . . . . 1921 LEU H . 27095 2 286 . 3 . 2 25 25 LEU HA H 1 4.030 0.003 . 1 . . . . . 1921 LEU HA . 27095 2 287 . 3 . 2 25 25 LEU HB2 H 1 1.633 0.003 . 2 . . . . . 1921 LEU HB2 . 27095 2 288 . 3 . 2 25 25 LEU HB3 H 1 1.775 0.004 . 2 . . . . . 1921 LEU HB3 . 27095 2 289 . 3 . 2 25 25 LEU HD11 H 1 0.853 0.001 . 2 . . . . . 1921 LEU HD11 . 27095 2 290 . 3 . 2 25 25 LEU HD12 H 1 0.853 0.001 . 2 . . . . . 1921 LEU HD12 . 27095 2 291 . 3 . 2 25 25 LEU HD13 H 1 0.853 0.001 . 2 . . . . . 1921 LEU HD13 . 27095 2 292 . 3 . 2 25 25 LEU HD21 H 1 0.894 0.002 . 2 . . . . . 1921 LEU HD21 . 27095 2 293 . 3 . 2 25 25 LEU HD22 H 1 0.894 0.002 . 2 . . . . . 1921 LEU HD22 . 27095 2 294 . 3 . 2 25 25 LEU HD23 H 1 0.894 0.002 . 2 . . . . . 1921 LEU HD23 . 27095 2 295 . 3 . 2 25 25 LEU HG H 1 1.742 0.004 . 1 . . . . . 1921 LEU HG . 27095 2 296 . 3 . 2 25 25 LEU N N 15 118.616 0.028 . 1 . . . . . 1921 LEU N . 27095 2 297 . 3 . 2 26 26 LYS C C 13 178.082 0.000 . 1 . . . . . 1922 LYS C . 27095 2 298 . 3 . 2 26 26 LYS CA C 13 58.163 0.067 . 1 . . . . . 1922 LYS CA . 27095 2 299 . 3 . 2 26 26 LYS CB C 13 32.403 0.040 . 1 . . . . . 1922 LYS CB . 27095 2 300 . 3 . 2 26 26 LYS CD C 13 29.474 0.042 . 1 . . . . . 1922 LYS CD . 27095 2 301 . 3 . 2 26 26 LYS CE C 13 42.174 0.000 . 1 . . . . . 1922 LYS CE . 27095 2 302 . 3 . 2 26 26 LYS CG C 13 24.909 0.121 . 1 . . . . . 1922 LYS CG . 27095 2 303 . 3 . 2 26 26 LYS H H 1 7.616 0.003 . 1 . . . . . 1922 LYS H . 27095 2 304 . 3 . 2 26 26 LYS HA H 1 4.051 0.003 . 1 . . . . . 1922 LYS HA . 27095 2 305 . 3 . 2 26 26 LYS HB2 H 1 1.880 0.003 . 1 . . . . . 1922 LYS HB2 . 27095 2 306 . 3 . 2 26 26 LYS HD2 H 1 1.714 0.002 . 1 . . . . . 1922 LYS HD2 . 27095 2 307 . 3 . 2 26 26 LYS HE2 H 1 3.000 0.001 . 1 . . . . . 1922 LYS HE2 . 27095 2 308 . 3 . 2 26 26 LYS HG2 H 1 1.433 0.002 . 2 . . . . . 1922 LYS HG2 . 27095 2 309 . 3 . 2 26 26 LYS HG3 H 1 1.574 0.007 . 2 . . . . . 1922 LYS HG3 . 27095 2 310 . 3 . 2 26 26 LYS N N 15 118.783 0.032 . 1 . . . . . 1922 LYS N . 27095 2 311 . 3 . 2 27 27 GLN C C 13 177.010 0.014 . 1 . . . . . 1923 GLN C . 27095 2 312 . 3 . 2 27 27 GLN CA C 13 56.439 0.063 . 1 . . . . . 1923 GLN CA . 27095 2 313 . 3 . 2 27 27 GLN CB C 13 29.023 0.087 . 1 . . . . . 1923 GLN CB . 27095 2 314 . 3 . 2 27 27 GLN CG C 13 33.335 0.029 . 1 . . . . . 1923 GLN CG . 27095 2 315 . 3 . 2 27 27 GLN H H 1 7.734 0.002 . 1 . . . . . 1923 GLN H . 27095 2 316 . 3 . 2 27 27 GLN HA H 1 4.051 0.003 . 1 . . . . . 1923 GLN HA . 27095 2 317 . 3 . 2 27 27 GLN HB2 H 1 1.819 0.001 . 1 . . . . . 1923 GLN HB2 . 27095 2 318 . 3 . 2 27 27 GLN HG2 H 1 2.063 0.004 . 1 . . . . . 1923 GLN HG2 . 27095 2 319 . 3 . 2 27 27 GLN N N 15 116.972 0.024 . 1 . . . . . 1923 GLN N . 27095 2 320 . 3 . 2 28 28 LYS C C 13 176.948 0.016 . 1 . . . . . 1924 LYS C . 27095 2 321 . 3 . 2 28 28 LYS CA C 13 56.937 0.087 . 1 . . . . . 1924 LYS CA . 27095 2 322 . 3 . 2 28 28 LYS CB C 13 32.667 0.068 . 1 . . . . . 1924 LYS CB . 27095 2 323 . 3 . 2 28 28 LYS CD C 13 28.978 0.034 . 1 . . . . . 1924 LYS CD . 27095 2 324 . 3 . 2 28 28 LYS CE C 13 41.975 0.096 . 1 . . . . . 1924 LYS CE . 27095 2 325 . 3 . 2 28 28 LYS CG C 13 24.784 0.054 . 1 . . . . . 1924 LYS CG . 27095 2 326 . 3 . 2 28 28 LYS H H 1 7.740 0.003 . 1 . . . . . 1924 LYS H . 27095 2 327 . 3 . 2 28 28 LYS HA H 1 4.175 0.005 . 1 . . . . . 1924 LYS HA . 27095 2 328 . 3 . 2 28 28 LYS HB2 H 1 1.795 0.002 . 2 . . . . . 1924 LYS HB2 . 27095 2 329 . 3 . 2 28 28 LYS HB3 H 1 1.854 0.003 . 2 . . . . . 1924 LYS HB3 . 27095 2 330 . 3 . 2 28 28 LYS HD2 H 1 1.636 0.001 . 1 . . . . . 1924 LYS HD2 . 27095 2 331 . 3 . 2 28 28 LYS HE2 H 1 2.929 0.002 . 1 . . . . . 1924 LYS HE2 . 27095 2 332 . 3 . 2 28 28 LYS HG2 H 1 1.399 0.003 . 2 . . . . . 1924 LYS HG2 . 27095 2 333 . 3 . 2 28 28 LYS HG3 H 1 1.491 0.002 . 2 . . . . . 1924 LYS HG3 . 27095 2 334 . 3 . 2 28 28 LYS N N 15 119.342 0.022 . 1 . . . . . 1924 LYS N . 27095 2 335 . 3 . 2 29 29 VAL C C 13 175.876 0.014 . 1 . . . . . 1925 VAL C . 27095 2 336 . 3 . 2 29 29 VAL CA C 13 62.432 0.079 . 1 . . . . . 1925 VAL CA . 27095 2 337 . 3 . 2 29 29 VAL CB C 13 32.366 0.062 . 1 . . . . . 1925 VAL CB . 27095 2 338 . 3 . 2 29 29 VAL CG1 C 13 21.141 0.027 . 2 . . . . . 1925 VAL CG1 . 27095 2 339 . 3 . 2 29 29 VAL CG2 C 13 20.652 0.039 . 2 . . . . . 1925 VAL CG2 . 27095 2 340 . 3 . 2 29 29 VAL H H 1 7.643 0.002 . 1 . . . . . 1925 VAL H . 27095 2 341 . 3 . 2 29 29 VAL HA H 1 4.056 0.003 . 1 . . . . . 1925 VAL HA . 27095 2 342 . 3 . 2 29 29 VAL HB H 1 2.109 0.002 . 1 . . . . . 1925 VAL HB . 27095 2 343 . 3 . 2 29 29 VAL HG11 H 1 0.914 0.005 . 2 . . . . . 1925 VAL HG11 . 27095 2 344 . 3 . 2 29 29 VAL HG12 H 1 0.914 0.005 . 2 . . . . . 1925 VAL HG12 . 27095 2 345 . 3 . 2 29 29 VAL HG13 H 1 0.914 0.005 . 2 . . . . . 1925 VAL HG13 . 27095 2 346 . 3 . 2 29 29 VAL HG21 H 1 0.942 0.001 . 2 . . . . . 1925 VAL HG21 . 27095 2 347 . 3 . 2 29 29 VAL HG22 H 1 0.942 0.001 . 2 . . . . . 1925 VAL HG22 . 27095 2 348 . 3 . 2 29 29 VAL HG23 H 1 0.942 0.001 . 2 . . . . . 1925 VAL HG23 . 27095 2 349 . 3 . 2 29 29 VAL N N 15 118.304 0.010 . 1 . . . . . 1925 VAL N . 27095 2 350 . 3 . 2 30 30 LYS C C 13 175.436 0.017 . 1 . . . . . 1926 LYS C . 27095 2 351 . 3 . 2 30 30 LYS CA C 13 56.275 0.080 . 1 . . . . . 1926 LYS CA . 27095 2 352 . 3 . 2 30 30 LYS CB C 13 32.969 0.061 . 1 . . . . . 1926 LYS CB . 27095 2 353 . 3 . 2 30 30 LYS CD C 13 29.021 0.029 . 1 . . . . . 1926 LYS CD . 27095 2 354 . 3 . 2 30 30 LYS CE C 13 42.149 0.000 . 1 . . . . . 1926 LYS CE . 27095 2 355 . 3 . 2 30 30 LYS CG C 13 24.545 0.061 . 1 . . . . . 1926 LYS CG . 27095 2 356 . 3 . 2 30 30 LYS H H 1 8.051 0.002 . 1 . . . . . 1926 LYS H . 27095 2 357 . 3 . 2 30 30 LYS HA H 1 4.296 0.003 . 1 . . . . . 1926 LYS HA . 27095 2 358 . 3 . 2 30 30 LYS HB2 H 1 1.750 0.003 . 2 . . . . . 1926 LYS HB2 . 27095 2 359 . 3 . 2 30 30 LYS HB3 H 1 1.842 0.003 . 2 . . . . . 1926 LYS HB3 . 27095 2 360 . 3 . 2 30 30 LYS HD2 H 1 1.667 0.002 . 1 . . . . . 1926 LYS HD2 . 27095 2 361 . 3 . 2 30 30 LYS HE2 H 1 2.978 0.004 . 1 . . . . . 1926 LYS HE2 . 27095 2 362 . 3 . 2 30 30 LYS HG2 H 1 1.422 0.003 . 2 . . . . . 1926 LYS HG2 . 27095 2 363 . 3 . 2 30 30 LYS HG3 H 1 1.445 0.001 . 2 . . . . . 1926 LYS HG3 . 27095 2 364 . 3 . 2 30 30 LYS N N 15 125.120 0.006 . 1 . . . . . 1926 LYS N . 27095 2 365 . 3 . 2 31 31 LYS CA C 13 57.717 0.000 . 1 . . . . . 1927 LYS CA . 27095 2 366 . 3 . 2 31 31 LYS CB C 13 33.804 0.000 . 1 . . . . . 1927 LYS CB . 27095 2 367 . 3 . 2 31 31 LYS H H 1 7.918 0.002 . 1 . . . . . 1927 LYS H . 27095 2 368 . 3 . 2 31 31 LYS N N 15 128.570 0.007 . 1 . . . . . 1927 LYS N . 27095 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 27095 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'These assignments are for a minor conformer of residues 78 through 81 in calmodulin.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27095 3 2 '3D HNCACB' . . . 27095 3 3 '3D CBCA(CO)NH' . . . 27095 3 4 '3D HNCO' . . . 27095 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Analysis . . 27095 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 . 2 . 1 78 78 ASP H H 1 8.603 0.002 . 1 . . . . . 78 ASP H . 27095 3 2 . 2 . 1 78 78 ASP C C 13 176.229 0.000 . 1 . . . . . 78 ASP C . 27095 3 3 . 2 . 1 78 78 ASP CA C 13 54.685 0.000 . 1 . . . . . 78 ASP CA . 27095 3 4 . 2 . 1 78 78 ASP CB C 13 41.100 0.004 . 1 . . . . . 78 ASP CB . 27095 3 5 . 2 . 1 78 78 ASP N N 15 122.441 0.008 . 1 . . . . . 78 ASP N . 27095 3 6 . 2 . 1 79 79 THR H H 1 7.999 0.002 . 1 . . . . . 79 THR H . 27095 3 7 . 2 . 1 79 79 THR C C 13 174.140 0.000 . 1 . . . . . 79 THR C . 27095 3 8 . 2 . 1 79 79 THR CA C 13 61.942 0.068 . 1 . . . . . 79 THR CA . 27095 3 9 . 2 . 1 79 79 THR CB C 13 69.910 0.019 . 1 . . . . . 79 THR CB . 27095 3 10 . 2 . 1 79 79 THR N N 15 113.332 0.014 . 1 . . . . . 79 THR N . 27095 3 11 . 2 . 1 80 80 ASP H H 1 8.221 0.002 . 1 . . . . . 80 ASP H . 27095 3 12 . 2 . 1 80 80 ASP C C 13 176.148 0.000 . 1 . . . . . 80 ASP C . 27095 3 13 . 2 . 1 80 80 ASP CA C 13 54.746 0.000 . 1 . . . . . 80 ASP CA . 27095 3 14 . 2 . 1 80 80 ASP CB C 13 41.560 0.000 . 1 . . . . . 80 ASP CB . 27095 3 15 . 2 . 1 80 80 ASP N N 15 122.524 0.056 . 1 . . . . . 80 ASP N . 27095 3 16 . 2 . 1 81 81 SER H H 1 8.475 0.001 . 1 . . . . . 81 SER H . 27095 3 17 . 2 . 1 81 81 SER CA C 13 58.711 0.000 . 1 . . . . . 81 SER CA . 27095 3 18 . 2 . 1 81 81 SER CB C 13 64.317 0.000 . 1 . . . . . 81 SER CB . 27095 3 19 . 2 . 1 81 81 SER N N 15 116.818 0.016 . 1 . . . . . 81 SER N . 27095 3 stop_ save_ save_assigned_chem_shift_list_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_4 _Assigned_chem_shift_list.Entry_ID 27095 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; These assignments are for a minor conformer of residues 1903 through 1906 and residue 1909 in the Voltage-gated sodium channel IQ motif peptide. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27095 4 2 '3D HNCACB' . . . 27095 4 3 '3D CBCA(CO)NH' . . . 27095 4 4 '3D HNCO' . . . 27095 4 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Analysis . . 27095 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 . 4 . 2 7 7 LYS H H 1 8.215 0.001 . 1 . . . . . 1903 LYS H . 27095 4 2 . 4 . 2 7 7 LYS C C 13 178.067 0.000 . 1 . . . . . 1903 LYS C . 27095 4 3 . 4 . 2 7 7 LYS CA C 13 58.158 0.077 . 1 . . . . . 1903 LYS CA . 27095 4 4 . 4 . 2 7 7 LYS CB C 13 32.369 0.037 . 1 . . . . . 1903 LYS CB . 27095 4 5 . 4 . 2 7 7 LYS N N 15 120.922 0.024 . 1 . . . . . 1903 LYS N . 27095 4 6 . 4 . 2 8 8 GLN H H 1 8.252 0.002 . 1 . . . . . 1904 GLN H . 27095 4 7 . 4 . 2 8 8 GLN C C 13 178.977 0.000 . 1 . . . . . 1904 GLN C . 27095 4 8 . 4 . 2 8 8 GLN CA C 13 58.334 0.042 . 1 . . . . . 1904 GLN CA . 27095 4 9 . 4 . 2 8 8 GLN CB C 13 28.601 0.099 . 1 . . . . . 1904 GLN CB . 27095 4 10 . 4 . 2 8 8 GLN N N 15 119.434 0.031 . 1 . . . . . 1904 GLN N . 27095 4 11 . 4 . 2 9 9 GLU H H 1 8.724 0.005 . 1 . . . . . 1905 GLU H . 27095 4 12 . 4 . 2 9 9 GLU C C 13 177.572 0.000 . 1 . . . . . 1905 GLU C . 27095 4 13 . 4 . 2 9 9 GLU CA C 13 60.335 0.044 . 1 . . . . . 1905 GLU CA . 27095 4 14 . 4 . 2 9 9 GLU CB C 13 29.108 0.063 . 1 . . . . . 1905 GLU CB . 27095 4 15 . 4 . 2 9 9 GLU N N 15 120.909 0.028 . 1 . . . . . 1905 GLU N . 27095 4 16 . 4 . 2 10 10 GLU H H 1 7.990 0.002 . 1 . . . . . 1906 GLU H . 27095 4 17 . 4 . 2 10 10 GLU CA C 13 60.475 0.000 . 1 . . . . . 1906 GLU CA . 27095 4 18 . 4 . 2 10 10 GLU CB C 13 29.937 0.000 . 1 . . . . . 1906 GLU CB . 27095 4 19 . 4 . 2 10 10 GLU N N 15 119.254 0.022 . 1 . . . . . 1906 GLU N . 27095 4 20 . 4 . 2 13 13 ALA H H 1 8.397 0.003 . 1 . . . . . 1909 ALA H . 27095 4 21 . 4 . 2 13 13 ALA CA C 13 56.210 0.000 . 1 . . . . . 1909 ALA CA . 27095 4 22 . 4 . 2 13 13 ALA CB C 13 17.684 0.000 . 1 . . . . . 1909 ALA CB . 27095 4 23 . 4 . 2 13 13 ALA N N 15 123.391 0.006 . 1 . . . . . 1909 ALA N . 27095 4 stop_ save_