data_18958 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The Integrin L Transmembrane Domain in Bicelles: Structure and Interaction with Integrin 2 ; _BMRB_accession_number 18958 _BMRB_flat_file_name bmr18958.str _Entry_type original _Submission_date 2013-01-17 _Accession_date 2013-01-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Surya Wahyu . . 2 Li Yan . . 3 Millet Oscar . . 4 Diercks Tammo . . 5 Torres Jaume . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 324 "13C chemical shifts" 170 "15N chemical shifts" 54 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-17 update BMRB 'update entry citation' 2014-01-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Transmembrane and Juxtamembrane Structure of L Integrin in Bicelles.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24069290 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Surya Wahyu . . 2 Li Yan . . 3 Millet Oscar . . 4 Diercks Tammo . . 5 Torres Jaume . . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 8 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e74281 _Page_last e74281 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Integrin L Transmembrane Domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label integrin_aL_TM_domain $integrin_aL_TM_domain PL $PL LL5_1 $entity_LL5 LL5_2 $entity_LL5 LL5_3 $entity_LL5 LL5_4 $entity_LL5 LL5_5 $entity_LL5 ORI_1 $entity_ORI LL5_6 $entity_LL5 LL5_7 $entity_LL5 LL5_8 $entity_LL5 LL5_9 $entity_LL5 LL5_10 $entity_LL5 ORI_2 $entity_ORI stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_integrin_aL_TM_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common integrin_aL_TM_domain _Molecular_mass 5717.965 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 50 _Mol_residue_sequence ; SNADVVYEKQMLYLYVLSGI GGLLLLLLIFIVLYKVGFFK RNLKEKMEAG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1054 SER 2 1055 ASN 3 1056 ALA 4 1057 ASP 5 1058 VAL 6 1059 VAL 7 1060 TYR 8 1061 GLU 9 1062 LYS 10 1063 GLN 11 1064 MET 12 1065 LEU 13 1066 TYR 14 1067 LEU 15 1068 TYR 16 1069 VAL 17 1070 LEU 18 1071 SER 19 1072 GLY 20 1073 ILE 21 1074 GLY 22 1075 GLY 23 1076 LEU 24 1077 LEU 25 1078 LEU 26 1079 LEU 27 1080 LEU 28 1081 LEU 29 1082 ILE 30 1083 PHE 31 1084 ILE 32 1085 VAL 33 1086 LEU 34 1087 TYR 35 1088 LYS 36 1089 VAL 37 1090 GLY 38 1091 PHE 39 1092 PHE 40 1093 LYS 41 1094 ARG 42 1095 ASN 43 1096 LEU 44 1097 LYS 45 1098 GLU 46 1099 LYS 47 1100 MET 48 1101 GLU 49 1102 ALA 50 1103 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M3E "The Integrin Alpha L Transmembrane Domain In Bicelles: Structure And Interaction With Integrin Beta 2" 100.00 50 100.00 100.00 4.68e-24 DBJ BAG36913 "unnamed protein product [Homo sapiens]" 94.00 1170 100.00 100.00 4.49e-08 DBJ BAG64283 "unnamed protein product [Homo sapiens]" 94.00 404 100.00 100.00 2.39e-08 EMBL CAA68747 "unnamed protein product [Homo sapiens]" 94.00 1170 100.00 100.00 4.62e-08 GB AAC31672 "leukocyte function-associated molecule-1 alpha subunit [Homo sapiens]" 94.00 1223 100.00 100.00 5.04e-08 GB AAH08777 "ITGAL protein [Homo sapiens]" 94.00 1086 100.00 100.00 4.79e-08 GB AAP88867 "integrin, alpha L (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide) [synthetic construct]" 94.00 1087 100.00 100.00 4.44e-08 GB AAQ14923 "leukocyte-associated molecule-1 alpha subunit [Pan troglodytes]" 94.00 1170 100.00 100.00 4.53e-08 GB AAX29152 "integrin alpha L, partial [synthetic construct]" 94.00 1087 100.00 100.00 4.44e-08 REF NP_001029341 "integrin alpha-L [Pan troglodytes]" 94.00 1170 100.00 100.00 4.53e-08 REF NP_001107852 "integrin alpha-L isoform b precursor [Homo sapiens]" 94.00 1086 100.00 100.00 4.79e-08 REF NP_002200 "integrin alpha-L isoform a precursor [Homo sapiens]" 94.00 1170 100.00 100.00 4.53e-08 REF XP_001100800 "PREDICTED: integrin alpha-L [Macaca mulatta]" 94.00 843 100.00 100.00 4.19e-08 REF XP_002826387 "PREDICTED: integrin alpha-L-like, partial [Pongo abelii]" 94.00 225 100.00 100.00 7.58e-09 SP P20701 "RecName: Full=Integrin alpha-L; AltName: Full=CD11 antigen-like family member A; AltName: Full=Leukocyte adhesion glycoprotein " 94.00 1170 100.00 100.00 4.53e-08 stop_ save_ ############# # Ligands # ############# save_LL5 _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common (2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one _BMRB_code LL5 _PDB_code LL5 _Molecular_mass 334.436 _Mol_charge 0 _Mol_paramagnetic no _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C22 C22 C . 0 . ? C20 C20 C . 0 . ? C21 C21 C . 0 . ? C19 C19 C . 0 . ? N33 N33 N . 0 . ? C7 C7 C . 0 . ? O32 O32 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C6 C6 C . 0 . ? C5 C5 C . 0 . ? C4 C4 C . 0 . ? C14 C14 C . 0 . ? N23 N23 N . 0 . ? O26 O26 O . 0 . ? N25 N25 N . 0 . ? C24 C24 C . 0 . ? C27 C27 C . 0 . ? C31 C31 C . 0 . ? C30 C30 C . 0 . ? C29 C29 C . 0 . ? S28 S28 S . 0 . ? H22 H22 H . 0 . ? H22A H22A H . 0 . ? H22B H22B H . 0 . ? H20 H20 H . 0 . ? H21 H21 H . 0 . ? H21A H21A H . 0 . ? H21B H21B H . 0 . ? H19 H19 H . 0 . ? HN33 HN33 H . 0 . ? HN3A HN3A H . 0 . ? H2 H2 H . 0 . ? H2A H2A H . 0 . ? H3 H3 H . 0 . ? H3A H3A H . 0 . ? H6 H6 H . 0 . ? H6A H6A H . 0 . ? H5 H5 H . 0 . ? H5A H5A H . 0 . ? H4 H4 H . 0 . ? H31 H31 H . 0 . ? H30 H30 H . 0 . ? H29 H29 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C22 C20 ? ? SING C22 H22 ? ? SING C22 H22A ? ? SING C22 H22B ? ? SING C20 C19 ? ? SING C20 C21 ? ? SING C20 H20 ? ? SING C21 H21 ? ? SING C21 H21A ? ? SING C21 H21B ? ? SING C7 C19 ? ? SING N33 C19 ? ? SING C19 H19 ? ? SING N33 HN33 ? ? SING N33 HN3A ? ? DOUB O32 C7 ? ? SING C7 N1 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING C3 C2 ? ? SING C2 H2 ? ? SING C2 H2A ? ? SING C4 C3 ? ? SING C3 H3 ? ? SING C3 H3A ? ? SING C5 C6 ? ? SING C6 H6 ? ? SING C6 H6A ? ? SING C5 C4 ? ? SING C5 H5 ? ? SING C5 H5A ? ? SING C14 C4 ? ? SING C4 H4 ? ? SING O26 C14 ? ? DOUB C14 N23 ? ? SING C24 N23 ? ? SING N25 O26 ? ? DOUB N25 C24 ? ? SING C24 C27 ? ? SING S28 C27 ? ? DOUB C27 C31 ? ? SING C30 C31 ? ? SING C31 H31 ? ? DOUB C29 C30 ? ? SING C30 H30 ? ? SING S28 C29 ? ? SING C29 H29 ? ? stop_ save_ save_ORI _Saveframe_category ligand _Mol_type NON-POLYMER _Name_common '4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid' _BMRB_code ORI _PDB_code ORI _Molecular_mass 328.342 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OB4 OB4 O . 0 . ? SB SB S . 0 . ? OB2 OB2 O . 0 . ? OB3 OB3 O . 0 . ? CB4 CB4 C . 0 . ? CB5 CB5 C . 0 . ? CB6 CB6 C . 0 . ? CB3 CB3 C . 0 . ? CB2 CB2 C . 0 . ? CB1 CB1 C . 0 . ? N2 N2 N . 0 . ? N1 N1 N . 0 . ? C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? OA1 OA1 O . 0 . ? C5 C5 C . 0 . ? C10 C10 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 H . 0 . ? H9 H9 H . 0 . ? H10 H10 H . 0 . ? H11 H11 H . 0 . ? H12 H12 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING OA1 C4 ? ? DOUB C6 C7 ? ? SING C6 C5 ? ? DOUB C4 C5 ? ? SING C4 C3 ? ? SING C7 C8 ? ? SING C5 C10 ? ? DOUB C3 C2 ? ? DOUB C8 C9 ? ? SING C10 C9 ? ? DOUB C10 C1 ? ? SING C2 C1 ? ? SING C1 N1 ? ? DOUB N1 N2 ? ? SING N2 CB1 ? ? DOUB CB1 CB2 ? ? SING CB1 CB6 ? ? SING CB2 CB3 ? ? DOUB CB6 CB5 ? ? DOUB CB3 CB4 ? ? SING CB5 CB4 ? ? SING CB4 SB ? ? DOUB OB4 SB ? ? DOUB SB OB2 ? ? SING SB OB3 ? ? SING CB5 H1 ? ? SING CB6 H2 ? ? SING CB3 H3 ? ? SING CB2 H4 ? ? SING C2 H5 ? ? SING C3 H6 ? ? SING OA1 H7 ? ? SING C6 H8 ? ? SING C7 H9 ? ? SING C8 H10 ? ? SING C9 H11 ? ? SING OB3 H12 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $integrin_aL_TM_domain Humans 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $integrin_aL_TM_domain 'recombinant technology' . Escherichia coli . 'BL21 codon-plus' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $integrin_aL_TM_domain 0.6 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate' 50 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name integrin_aL_TM_domain _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1054 1 SER HA H 4.480 0.020 1 2 1054 1 SER HB2 H 4.281 0.020 1 3 1054 1 SER HB3 H 4.281 0.020 1 4 1054 1 SER H H 8.484 0.020 1 5 1054 1 SER CA C 52.119 0.300 1 6 1054 1 SER CB C 60.253 0.300 1 7 1054 1 SER N N 122.396 0.300 1 8 1055 2 ASN H H 8.352 0.020 1 9 1055 2 ASN HA H 4.709 0.020 1 10 1055 2 ASN HB2 H 2.838 0.020 1 11 1055 2 ASN HB3 H 2.781 0.020 1 12 1055 2 ASN HD21 H 7.632 0.020 1 13 1055 2 ASN HD22 H 6.924 0.020 1 14 1055 2 ASN CA C 51.181 0.300 1 15 1055 2 ASN CB C 35.846 0.300 1 16 1055 2 ASN N N 121.309 0.300 1 17 1055 2 ASN ND2 N 112.607 0.300 1 18 1056 3 ALA H H 8.341 0.020 1 19 1056 3 ALA HA H 4.247 0.020 1 20 1056 3 ALA HB H 1.363 0.020 1 21 1056 3 ALA CA C 50.290 0.300 1 22 1056 3 ALA CB C 15.883 0.300 1 23 1056 3 ALA N N 123.348 0.300 1 24 1057 4 ASP H H 8.112 0.020 1 25 1057 4 ASP HA H 4.569 0.020 1 26 1057 4 ASP HB2 H 2.742 0.020 1 27 1057 4 ASP HB3 H 2.692 0.020 1 28 1057 4 ASP CA C 52.153 0.300 1 29 1057 4 ASP CB C 38.095 0.300 1 30 1057 4 ASP N N 118.733 0.300 1 31 1058 5 VAL H H 7.878 0.020 1 32 1058 5 VAL HA H 3.980 0.020 1 33 1058 5 VAL HB H 2.074 0.020 1 34 1058 5 VAL HG1 H 0.859 0.020 1 35 1058 5 VAL HG2 H 0.941 0.020 1 36 1058 5 VAL CA C 60.586 0.300 1 37 1058 5 VAL CB C 29.399 0.300 1 38 1058 5 VAL CG1 C 18.107 0.300 1 39 1058 5 VAL CG2 C 17.814 0.300 1 40 1058 5 VAL N N 120.027 0.300 1 41 1059 6 VAL H H 7.968 0.020 1 42 1059 6 VAL HA H 3.868 0.020 1 43 1059 6 VAL HB H 2.022 0.020 1 44 1059 6 VAL HG1 H 0.906 0.020 1 45 1059 6 VAL HG2 H 0.841 0.020 1 46 1059 6 VAL CA C 60.960 0.300 1 47 1059 6 VAL CB C 29.468 0.300 1 48 1059 6 VAL CG1 C 18.192 0.300 1 49 1059 6 VAL CG2 C 17.616 0.300 1 50 1059 6 VAL N N 122.361 0.300 1 51 1060 7 TYR H H 8.037 0.020 1 52 1060 7 TYR HA H 4.488 0.020 1 53 1060 7 TYR HB2 H 3.036 0.020 1 54 1060 7 TYR HB3 H 3.036 0.020 1 55 1060 7 TYR HD1 H 7.114 0.020 1 56 1060 7 TYR HD2 H 7.114 0.020 1 57 1060 7 TYR HE1 H 6.796 0.020 1 58 1060 7 TYR HE2 H 6.796 0.020 1 59 1060 7 TYR CA C 55.758 0.300 1 60 1060 7 TYR CB C 35.695 0.300 1 61 1060 7 TYR CD1 C 130.192 0.300 1 62 1060 7 TYR CE1 C 115.445 0.300 1 63 1060 7 TYR N N 121.850 0.300 1 64 1061 8 GLU H H 8.347 0.020 1 65 1061 8 GLU HA H 4.210 0.020 1 66 1061 8 GLU HB2 H 1.639 0.020 1 67 1061 8 GLU HB3 H 1.639 0.020 1 68 1061 8 GLU HG2 H 2.380 0.020 1 69 1061 8 GLU HG3 H 2.380 0.020 1 70 1061 8 GLU CA C 54.490 0.300 1 71 1061 8 GLU CB C 26.404 0.300 1 72 1061 8 GLU CG C 33.056 0.300 1 73 1061 8 GLU N N 119.530 0.300 1 74 1062 9 LYS H H 8.094 0.020 1 75 1062 9 LYS HA H 3.915 0.020 1 76 1062 9 LYS HB2 H 1.819 0.020 1 77 1062 9 LYS HB3 H 1.751 0.020 1 78 1062 9 LYS HG2 H 1.479 0.020 1 79 1062 9 LYS HG3 H 1.479 0.020 1 80 1062 9 LYS CA C 55.666 0.300 1 81 1062 9 LYS CB C 28.289 0.300 1 82 1062 9 LYS CG C 21.514 0.300 1 83 1062 9 LYS CD C 27.164 0.300 1 84 1062 9 LYS N N 120.369 0.300 1 85 1063 10 GLN H H 8.177 0.020 1 86 1063 10 GLN HA H 3.971 0.020 1 87 1063 10 GLN HB2 H 2.182 0.020 1 88 1063 10 GLN HB3 H 2.043 0.020 1 89 1063 10 GLN HG2 H 2.470 0.020 1 90 1063 10 GLN HG3 H 2.339 0.020 1 91 1063 10 GLN HE21 H 7.387 0.020 1 92 1063 10 GLN HE22 H 6.772 0.020 1 93 1063 10 GLN CA C 56.274 0.300 1 94 1063 10 GLN CB C 25.148 0.300 1 95 1063 10 GLN CG C 31.340 0.300 1 96 1063 10 GLN N N 116.970 0.300 1 97 1063 10 GLN NE2 N 109.869 0.300 1 98 1064 11 MET H H 7.954 0.020 1 99 1064 11 MET HA H 4.133 0.020 1 100 1064 11 MET HB2 H 2.141 0.020 1 101 1064 11 MET HB3 H 2.088 0.020 1 102 1064 11 MET HG2 H 2.391 0.020 1 103 1064 11 MET HG3 H 2.225 0.020 1 104 1064 11 MET HE H 1.911 0.020 1 105 1064 11 MET CA C 53.913 0.300 1 106 1064 11 MET CB C 21.670 0.300 1 107 1064 11 MET CG C 28.821 0.300 1 108 1064 11 MET CE C 13.776 0.300 1 109 1064 11 MET N N 116.193 0.300 1 110 1065 12 LEU H H 7.814 0.020 1 111 1065 12 LEU HA H 4.023 0.020 1 112 1065 12 LEU HB2 H 1.682 0.020 1 113 1065 12 LEU HB3 H 1.682 0.020 1 114 1065 12 LEU HG H 1.645 0.020 1 115 1065 12 LEU HD1 H 0.876 0.020 1 116 1065 12 LEU HD2 H 0.814 0.020 1 117 1065 12 LEU CA C 55.302 0.300 1 118 1065 12 LEU CB C 38.178 0.300 1 119 1065 12 LEU CG C 24.119 0.300 1 120 1065 12 LEU CD1 C 21.651 0.300 1 121 1065 12 LEU CD2 C 20.502 0.300 1 122 1065 12 LEU N N 119.335 0.300 1 123 1066 13 TYR H H 8.040 0.020 1 124 1066 13 TYR HA H 3.973 0.020 1 125 1066 13 TYR HB2 H 3.173 0.020 1 126 1066 13 TYR HB3 H 3.173 0.020 1 127 1066 13 TYR HD1 H 6.993 0.020 1 128 1066 13 TYR HD2 H 6.993 0.020 1 129 1066 13 TYR HE1 H 6.733 0.020 1 130 1066 13 TYR HE2 H 6.733 0.020 1 131 1066 13 TYR CA C 55.814 0.300 1 132 1066 13 TYR CB C 34.068 0.300 1 133 1066 13 TYR CD2 C 128.978 0.300 1 134 1066 13 TYR CE2 C 114.942 0.300 1 135 1066 13 TYR N N 116.502 0.300 1 136 1067 14 LEU H H 7.925 0.020 1 137 1067 14 LEU HA H 4.032 0.020 1 138 1067 14 LEU HB2 H 2.544 0.020 1 139 1067 14 LEU HB3 H 2.544 0.020 1 140 1067 14 LEU HG H 1.621 0.020 1 141 1067 14 LEU HD1 H 0.856 0.020 1 142 1067 14 LEU HD2 H 1.232 0.020 1 143 1067 14 LEU CA C 55.097 0.300 1 144 1067 14 LEU CB C 35.834 0.300 1 145 1067 14 LEU CG C 24.048 0.300 1 146 1067 14 LEU CD1 C 21.710 0.300 1 147 1067 14 LEU N N 118.538 0.300 1 148 1068 15 TYR H H 8.729 0.020 1 149 1068 15 TYR HA H 4.461 0.020 1 150 1068 15 TYR HB2 H 3.025 0.020 1 151 1068 15 TYR HB3 H 3.025 0.020 1 152 1068 15 TYR HD1 H 6.945 0.020 1 153 1068 15 TYR HD2 H 6.945 0.020 1 154 1068 15 TYR HE1 H 6.673 0.020 1 155 1068 15 TYR HE2 H 6.673 0.020 1 156 1068 15 TYR CA C 56.949 0.300 1 157 1068 15 TYR CB C 35.158 0.300 1 158 1068 15 TYR CD2 C 129.000 0.300 1 159 1068 15 TYR CE2 C 114.861 0.300 1 160 1068 15 TYR N N 121.196 0.300 1 161 1069 16 VAL H H 8.431 0.020 1 162 1069 16 VAL HA H 3.642 0.020 1 163 1069 16 VAL HB H 2.245 0.020 1 164 1069 16 VAL HG1 H 1.095 0.020 1 165 1069 16 VAL HG2 H 0.844 0.020 1 166 1069 16 VAL CA C 64.426 0.300 1 167 1069 16 VAL CB C 28.500 0.300 1 168 1069 16 VAL CG1 C 20.488 0.300 1 169 1069 16 VAL CG2 C 18.632 0.300 1 170 1069 16 VAL N N 118.455 0.300 1 171 1070 17 LEU H H 8.620 0.020 1 172 1070 17 LEU HA H 3.995 0.020 1 173 1070 17 LEU HB2 H 1.740 0.020 1 174 1070 17 LEU HB3 H 1.740 0.020 1 175 1070 17 LEU HG H 1.763 0.020 1 176 1070 17 LEU HD1 H 0.811 0.020 1 177 1070 17 LEU HD2 H 0.811 0.020 1 178 1070 17 LEU CA C 55.211 0.300 1 179 1070 17 LEU CB C 38.181 0.300 1 180 1070 17 LEU CG C 24.547 0.300 1 181 1070 17 LEU CD1 C 21.552 0.300 1 182 1070 17 LEU N N 118.336 0.300 1 183 1071 18 SER H H 8.314 0.020 1 184 1071 18 SER HA H 4.060 0.020 1 185 1071 18 SER HB2 H 3.890 0.020 1 186 1071 18 SER HB3 H 3.890 0.020 1 187 1071 18 SER CA C 60.373 0.300 1 188 1071 18 SER CB C 61.523 0.300 1 189 1071 18 SER N N 114.483 0.300 1 190 1072 19 GLY H H 8.311 0.020 1 191 1072 19 GLY HA2 H 3.663 0.020 1 192 1072 19 GLY HA3 H 3.581 0.020 1 193 1072 19 GLY CA C 44.546 0.300 1 194 1072 19 GLY N N 109.308 0.300 1 195 1073 20 ILE H H 8.452 0.020 1 196 1073 20 ILE HA H 3.644 0.020 1 197 1073 20 ILE HB H 1.989 0.020 1 198 1073 20 ILE HG12 H 0.994 0.020 1 199 1073 20 ILE HG13 H 0.994 0.020 1 200 1073 20 ILE HG2 H 0.826 0.020 1 201 1073 20 ILE HD1 H 0.769 0.020 1 202 1073 20 ILE CA C 62.693 0.300 1 203 1073 20 ILE CB C 34.401 0.300 1 204 1073 20 ILE CG1 C 26.052 0.300 1 205 1073 20 ILE CG2 C 14.180 0.300 1 206 1073 20 ILE CD1 C 10.430 0.300 1 207 1073 20 ILE N N 120.374 0.300 1 208 1074 21 GLY H H 8.710 0.020 1 209 1074 21 GLY HA2 H 3.566 0.020 1 210 1074 21 GLY HA3 H 3.566 0.020 1 211 1074 21 GLY CA C 44.245 0.300 1 212 1074 21 GLY N N 106.259 0.300 1 213 1075 22 GLY H H 8.635 0.020 1 214 1075 22 GLY HA2 H 3.740 0.020 1 215 1075 22 GLY HA3 H 3.740 0.020 1 216 1075 22 GLY CA C 43.988 0.300 1 217 1075 22 GLY N N 107.895 0.300 1 218 1076 23 LEU H H 8.123 0.020 1 219 1076 23 LEU HA H 3.997 0.020 1 220 1076 23 LEU HB2 H 1.612 0.020 1 221 1076 23 LEU HB3 H 1.612 0.020 1 222 1076 23 LEU HG H 1.202 0.020 1 223 1076 23 LEU HD1 H 0.805 0.020 1 224 1076 23 LEU HD2 H 0.805 0.020 1 225 1076 23 LEU CA C 54.876 0.300 1 226 1076 23 LEU CB C 38.617 0.300 1 227 1076 23 LEU N N 120.879 0.300 1 228 1077 24 LEU H H 8.201 0.020 1 229 1077 24 LEU HA H 3.950 0.020 1 230 1077 24 LEU HB2 H 1.726 0.020 1 231 1077 24 LEU HB3 H 1.726 0.020 1 232 1077 24 LEU HG H 1.225 0.020 1 233 1077 24 LEU HD1 H 0.778 0.020 1 234 1077 24 LEU HD2 H 0.778 0.020 1 235 1077 24 LEU CA C 54.874 0.300 1 236 1077 24 LEU CB C 37.801 0.300 1 237 1077 24 LEU N N 118.070 0.300 1 238 1078 25 LEU H H 8.301 0.020 1 239 1078 25 LEU HA H 3.968 0.020 1 240 1078 25 LEU HB2 H 1.846 0.020 1 241 1078 25 LEU HB3 H 1.846 0.020 1 242 1078 25 LEU HG H 1.197 0.020 1 243 1078 25 LEU HD1 H 0.796 0.020 1 244 1078 25 LEU HD2 H 0.796 0.020 1 245 1078 25 LEU CA C 54.870 0.300 1 246 1078 25 LEU CB C 38.211 0.300 1 247 1078 25 LEU N N 117.408 0.300 1 248 1079 26 LEU H H 8.145 0.020 1 249 1079 26 LEU HA H 3.932 0.020 1 250 1079 26 LEU HB2 H 1.726 0.020 1 251 1079 26 LEU HB3 H 1.726 0.020 1 252 1079 26 LEU HG H 1.225 0.020 1 253 1079 26 LEU HD1 H 0.778 0.020 1 254 1079 26 LEU HD2 H 0.778 0.020 1 255 1079 26 LEU CA C 54.961 0.300 1 256 1079 26 LEU CB C 37.887 0.300 1 257 1079 26 LEU N N 117.923 0.300 1 258 1080 27 LEU H H 8.292 0.020 1 259 1080 27 LEU HA H 4.056 0.020 1 260 1080 27 LEU HB2 H 1.771 0.020 1 261 1080 27 LEU HB3 H 1.771 0.020 1 262 1080 27 LEU HG H 1.209 0.020 1 263 1080 27 LEU HD1 H 0.838 0.020 1 264 1080 27 LEU HD2 H 0.838 0.020 1 265 1080 27 LEU CA C 55.072 0.300 1 266 1080 27 LEU CB C 38.000 0.300 1 267 1080 27 LEU N N 117.845 0.300 1 268 1081 28 LEU H H 8.301 0.020 1 269 1081 28 LEU HA H 3.958 0.020 1 270 1081 28 LEU HB2 H 1.776 0.020 1 271 1081 28 LEU HB3 H 1.776 0.020 1 272 1081 28 LEU HG H 1.843 0.020 1 273 1081 28 LEU HD1 H 0.799 0.020 1 274 1081 28 LEU HD2 H 0.847 0.020 1 275 1081 28 LEU CA C 55.549 0.300 1 276 1081 28 LEU CB C 38.451 0.300 1 277 1081 28 LEU CG C 23.930 0.300 1 278 1081 28 LEU CD1 C 20.531 0.300 1 279 1081 28 LEU CD2 C 21.967 0.300 1 280 1081 28 LEU N N 117.900 0.300 1 281 1082 29 ILE H H 8.361 0.020 1 282 1082 29 ILE HA H 3.470 0.020 1 283 1082 29 ILE HB H 2.030 0.020 1 284 1082 29 ILE HG12 H 0.879 0.020 1 285 1082 29 ILE HG13 H 0.879 0.020 1 286 1082 29 ILE HG2 H 0.698 0.020 1 287 1082 29 ILE HD1 H 0.732 0.020 1 288 1082 29 ILE CA C 62.874 0.300 1 289 1082 29 ILE CB C 34.605 0.300 1 290 1082 29 ILE CG1 C 26.387 0.300 1 291 1082 29 ILE CG2 C 13.501 0.300 1 292 1082 29 ILE CD1 C 10.020 0.300 1 293 1082 29 ILE N N 117.569 0.300 1 294 1083 30 PHE H H 8.498 0.020 1 295 1083 30 PHE HA H 4.233 0.020 1 296 1083 30 PHE HB2 H 3.255 0.020 1 297 1083 30 PHE HB3 H 3.255 0.020 1 298 1083 30 PHE HD1 H 7.244 0.020 1 299 1083 30 PHE HD2 H 7.244 0.020 1 300 1083 30 PHE HE1 H 6.979 0.020 1 301 1083 30 PHE HE2 H 6.979 0.020 1 302 1083 30 PHE HZ H 6.964 0.020 1 303 1083 30 PHE CA C 59.999 0.300 1 304 1083 30 PHE CB C 35.761 0.300 1 305 1083 30 PHE CD1 C 127.711 0.300 1 306 1083 30 PHE CE1 C 128.346 0.300 1 307 1083 30 PHE CZ C 125.878 0.300 1 308 1083 30 PHE N N 117.985 0.300 1 309 1084 31 ILE H H 8.569 0.020 1 310 1084 31 ILE HA H 3.731 0.020 1 311 1084 31 ILE HB H 2.127 0.020 1 312 1084 31 ILE HG12 H 1.099 0.020 1 313 1084 31 ILE HG13 H 1.099 0.020 1 314 1084 31 ILE HG2 H 0.963 0.020 1 315 1084 31 ILE HD1 H 0.847 0.020 1 316 1084 31 ILE CA C 63.261 0.300 1 317 1084 31 ILE CB C 34.611 0.300 1 318 1084 31 ILE CG1 C 26.375 0.300 1 319 1084 31 ILE CG2 C 14.230 0.300 1 320 1084 31 ILE CD1 C 10.897 0.300 1 321 1084 31 ILE N N 118.358 0.300 1 322 1085 32 VAL H H 8.308 0.020 1 323 1085 32 VAL HA H 3.537 0.020 1 324 1085 32 VAL HB H 2.231 0.020 1 325 1085 32 VAL HG1 H 1.044 0.020 1 326 1085 32 VAL HG2 H 0.887 0.020 1 327 1085 32 VAL CA C 64.802 0.300 1 328 1085 32 VAL CB C 28.295 0.300 1 329 1085 32 VAL CG1 C 19.933 0.300 1 330 1085 32 VAL CG2 C 18.713 0.300 1 331 1085 32 VAL N N 119.353 0.300 1 332 1086 33 LEU H H 8.449 0.020 1 333 1086 33 LEU HA H 3.922 0.020 1 334 1086 33 LEU HB2 H 1.954 0.020 1 335 1086 33 LEU HB3 H 1.954 0.020 1 336 1086 33 LEU HG H 1.766 0.020 1 337 1086 33 LEU HD1 H 0.230 0.020 1 338 1086 33 LEU HD2 H 0.404 0.020 1 339 1086 33 LEU CA C 54.752 0.300 1 340 1086 33 LEU CB C 38.183 0.300 1 341 1086 33 LEU CG C 23.293 0.300 1 342 1086 33 LEU CD1 C 18.193 0.300 1 343 1086 33 LEU CD2 C 22.326 0.300 1 344 1086 33 LEU N N 116.849 0.300 1 345 1087 34 TYR H H 8.772 0.020 1 346 1087 34 TYR HA H 4.493 0.020 1 347 1087 34 TYR HB2 H 3.035 0.020 1 348 1087 34 TYR HB3 H 3.035 0.020 1 349 1087 34 TYR HD1 H 7.011 0.020 1 350 1087 34 TYR HD2 H 7.037 0.020 1 351 1087 34 TYR HE1 H 6.861 0.020 1 352 1087 34 TYR HE2 H 6.861 0.020 1 353 1087 34 TYR CA C 58.008 0.300 1 354 1087 34 TYR CB C 35.245 0.300 1 355 1087 34 TYR CD1 C 130.000 0.300 1 356 1087 34 TYR CD2 C 130.000 0.300 1 357 1087 34 TYR CE1 C 115.416 0.300 1 358 1087 34 TYR N N 119.402 0.300 1 359 1088 35 LYS H H 8.729 0.020 1 360 1088 35 LYS HA H 3.949 0.020 1 361 1088 35 LYS HB2 H 2.123 0.020 1 362 1088 35 LYS HB3 H 1.975 0.020 1 363 1088 35 LYS HG2 H 1.747 0.020 1 364 1088 35 LYS HG3 H 1.615 0.020 1 365 1088 35 LYS HD2 H 1.752 0.020 1 366 1088 35 LYS HD3 H 1.752 0.020 1 367 1088 35 LYS HE2 H 3.005 0.020 1 368 1088 35 LYS HE3 H 3.005 0.020 1 369 1088 35 LYS CA C 55.534 0.300 1 370 1088 35 LYS CB C 28.693 0.300 1 371 1088 35 LYS CG C 21.757 0.300 1 372 1088 35 LYS CD C 25.219 0.300 1 373 1088 35 LYS CE C 38.682 0.300 1 374 1088 35 LYS N N 120.440 0.300 1 375 1089 36 VAL H H 8.147 0.020 1 376 1089 36 VAL HA H 4.344 0.020 1 377 1089 36 VAL HB H 2.476 0.020 1 378 1089 36 VAL HG1 H 1.068 0.020 1 379 1089 36 VAL HG2 H 0.985 0.020 1 380 1089 36 VAL CA C 59.188 0.300 1 381 1089 36 VAL CB C 28.246 0.300 1 382 1089 36 VAL CG1 C 16.963 0.300 1 383 1089 36 VAL CG2 C 17.899 0.300 1 384 1089 36 VAL N N 111.014 0.300 1 385 1090 37 GLY H H 7.595 0.020 1 386 1090 37 GLY HA2 H 4.143 0.020 1 387 1090 37 GLY HA3 H 3.827 0.020 1 388 1090 37 GLY CA C 42.791 0.300 1 389 1090 37 GLY N N 107.089 0.300 1 390 1091 38 PHE H H 8.108 0.020 1 391 1091 38 PHE HA H 4.049 0.020 1 392 1091 38 PHE HB2 H 2.715 0.020 1 393 1091 38 PHE HB3 H 2.275 0.020 1 394 1091 38 PHE HD1 H 6.549 0.020 1 395 1091 38 PHE HD2 H 6.549 0.020 1 396 1091 38 PHE HE1 H 7.107 0.020 1 397 1091 38 PHE HE2 H 7.107 0.020 1 398 1091 38 PHE CA C 57.420 0.300 1 399 1091 38 PHE CB C 37.515 0.300 1 400 1091 38 PHE CD2 C 128.934 0.300 1 401 1091 38 PHE CE2 C 130.445 0.300 1 402 1091 38 PHE N N 119.389 0.300 1 403 1092 39 PHE H H 8.051 0.020 1 404 1092 39 PHE HA H 4.511 0.020 1 405 1092 39 PHE HB2 H 3.418 0.020 1 406 1092 39 PHE HB3 H 2.989 0.020 1 407 1092 39 PHE HD1 H 7.375 0.020 1 408 1092 39 PHE HD2 H 7.375 0.020 1 409 1092 39 PHE HE1 H 7.370 0.020 1 410 1092 39 PHE HE2 H 7.370 0.020 1 411 1092 39 PHE CA C 54.690 0.300 1 412 1092 39 PHE CB C 35.203 0.300 1 413 1092 39 PHE CD2 C 128.897 0.300 1 414 1092 39 PHE CE2 C 128.383 0.300 1 415 1092 39 PHE N N 112.534 0.300 1 416 1093 40 LYS H H 7.504 0.020 1 417 1093 40 LYS HA H 4.263 0.020 1 418 1093 40 LYS HB2 H 1.801 0.020 1 419 1093 40 LYS HB3 H 1.720 0.020 1 420 1093 40 LYS HG2 H 1.381 0.020 1 421 1093 40 LYS HG3 H 1.356 0.020 1 422 1093 40 LYS HD2 H 1.649 0.020 1 423 1093 40 LYS HD3 H 1.649 0.020 1 424 1093 40 LYS HE2 H 3.129 0.020 1 425 1093 40 LYS HE3 H 3.129 0.020 1 426 1093 40 LYS CA C 53.415 0.300 1 427 1093 40 LYS CB C 29.748 0.300 1 428 1093 40 LYS CG C 21.192 0.300 1 429 1093 40 LYS CD C 25.912 0.300 1 430 1093 40 LYS CE C 38.792 0.300 1 431 1093 40 LYS N N 119.676 0.300 1 432 1094 41 ARG H H 8.125 0.020 1 433 1094 41 ARG HA H 4.276 0.020 1 434 1094 41 ARG HB2 H 1.757 0.020 1 435 1094 41 ARG HB3 H 1.708 0.020 1 436 1094 41 ARG HG2 H 1.602 0.020 1 437 1094 41 ARG HG3 H 1.561 0.020 1 438 1094 41 ARG HD2 H 3.129 0.020 1 439 1094 41 ARG HD3 H 3.129 0.020 1 440 1094 41 ARG HE H 7.199 0.020 1 441 1094 41 ARG HH11 H 6.750 0.020 1 442 1094 41 ARG HH12 H 6.750 0.020 1 443 1094 41 ARG HH21 H 6.661 0.020 1 444 1094 41 ARG HH22 H 6.661 0.020 1 445 1094 41 ARG CA C 53.421 0.300 1 446 1094 41 ARG CB C 27.651 0.300 1 447 1094 41 ARG CG C 23.998 0.300 1 448 1094 41 ARG CD C 40.395 0.300 1 449 1094 41 ARG N N 120.692 0.300 1 450 1094 41 ARG NE N 85.067 0.300 1 451 1095 42 ASN H H 8.446 0.020 1 452 1095 42 ASN HA H 4.672 0.020 1 453 1095 42 ASN HB2 H 2.796 0.020 1 454 1095 42 ASN HB3 H 2.659 0.020 1 455 1095 42 ASN HD21 H 7.546 0.020 1 456 1095 42 ASN HD22 H 6.851 0.020 1 457 1095 42 ASN CA C 50.407 0.300 1 458 1095 42 ASN CB C 35.810 0.300 1 459 1095 42 ASN N N 119.179 0.300 1 460 1095 42 ASN ND2 N 112.371 0.300 1 461 1096 43 LEU H H 8.170 0.020 1 462 1096 43 LEU HA H 4.298 0.020 1 463 1096 43 LEU HB2 H 1.633 0.020 1 464 1096 43 LEU HB3 H 1.583 0.020 1 465 1096 43 LEU HG H 1.596 0.020 1 466 1096 43 LEU HD1 H 0.899 0.020 1 467 1096 43 LEU HD2 H 0.836 0.020 1 468 1096 43 LEU CA C 52.618 0.300 1 469 1096 43 LEU CB C 39.249 0.300 1 470 1096 43 LEU CG C 23.992 0.300 1 471 1096 43 LEU CD1 C 21.887 0.300 1 472 1096 43 LEU CD2 C 20.457 0.300 1 473 1096 43 LEU N N 122.461 0.300 1 474 1097 44 LYS H H 8.176 0.020 1 475 1097 44 LYS HA H 4.233 0.020 1 476 1097 44 LYS HB2 H 1.818 0.020 1 477 1097 44 LYS HB3 H 1.734 0.020 1 478 1097 44 LYS HG2 H 1.484 0.020 1 479 1097 44 LYS HG3 H 1.332 0.020 1 480 1097 44 LYS HD2 H 1.692 0.020 1 481 1097 44 LYS HD3 H 1.692 0.020 1 482 1097 44 LYS HE2 H 2.948 0.020 1 483 1097 44 LYS HE3 H 2.948 0.020 1 484 1097 44 LYS CA C 53.300 0.300 1 485 1097 44 LYS CB C 29.323 0.300 1 486 1097 44 LYS CG C 22.054 0.300 1 487 1097 44 LYS CD C 26.076 0.300 1 488 1097 44 LYS CE C 39.090 0.300 1 489 1097 44 LYS N N 120.879 0.300 1 490 1098 45 GLU H H 8.250 0.020 1 491 1098 45 GLU HA H 4.224 0.020 1 492 1098 45 GLU HB2 H 2.029 0.020 1 493 1098 45 GLU HB3 H 1.939 0.020 1 494 1098 45 GLU HG2 H 2.235 0.020 1 495 1098 45 GLU HG3 H 2.235 0.020 1 496 1098 45 GLU CA C 53.886 0.300 1 497 1098 45 GLU CB C 27.350 0.300 1 498 1098 45 GLU CG C 33.089 0.300 1 499 1098 45 GLU N N 120.915 0.300 1 500 1099 46 LYS H H 8.205 0.020 1 501 1099 46 LYS HA H 4.276 0.020 1 502 1099 46 LYS HB2 H 1.810 0.020 1 503 1099 46 LYS HB3 H 1.739 0.020 1 504 1099 46 LYS HG2 H 1.408 0.020 1 505 1099 46 LYS HG3 H 1.367 0.020 1 506 1099 46 LYS HD2 H 1.660 0.020 1 507 1099 46 LYS HD3 H 1.660 0.020 1 508 1099 46 LYS HE2 H 2.977 0.020 1 509 1099 46 LYS HE3 H 2.977 0.020 1 510 1099 46 LYS CA C 53.544 0.300 1 511 1099 46 LYS CB C 29.850 0.300 1 512 1099 46 LYS CG C 21.694 0.300 1 513 1099 46 LYS CD C 26.010 0.300 1 514 1099 46 LYS CE C 39.160 0.300 1 515 1099 46 LYS N N 121.016 0.300 1 516 1100 47 MET H H 8.326 0.020 1 517 1100 47 MET HA H 4.434 0.020 1 518 1100 47 MET HB2 H 2.078 0.020 1 519 1100 47 MET HB3 H 1.995 0.020 1 520 1100 47 MET HG2 H 2.592 0.020 1 521 1100 47 MET HG3 H 2.510 0.020 1 522 1100 47 MET HE H 2.080 0.020 1 523 1100 47 MET CA C 52.782 0.300 1 524 1100 47 MET CB C 29.880 0.300 1 525 1100 47 MET CG C 28.766 0.300 1 526 1100 47 MET CE C 14.030 0.300 1 527 1100 47 MET N N 121.146 0.300 1 528 1101 48 GLU H H 8.313 0.020 1 529 1101 48 GLU HA H 4.293 0.020 1 530 1101 48 GLU HB2 H 2.051 0.020 1 531 1101 48 GLU HB3 H 1.920 0.020 1 532 1101 48 GLU HG2 H 2.261 0.020 1 533 1101 48 GLU HG3 H 2.261 0.020 1 534 1101 48 GLU CA C 53.620 0.300 1 535 1101 48 GLU CB C 26.975 0.300 1 536 1101 48 GLU CG C 33.071 0.300 1 537 1101 48 GLU N N 121.451 0.300 1 538 1102 49 ALA H H 8.256 0.020 1 539 1102 49 ALA HA H 4.340 0.020 1 540 1102 49 ALA HB H 1.377 0.020 1 541 1102 49 ALA CA C 49.529 0.300 1 542 1102 49 ALA CB C 16.532 0.300 1 543 1102 49 ALA N N 124.777 0.300 1 544 1103 50 GLY H H 7.895 0.020 1 545 1103 50 GLY HA2 H 3.754 0.020 1 546 1103 50 GLY HA3 H 3.754 0.020 1 547 1103 50 GLY CA C 43.057 0.300 1 548 1103 50 GLY N N 114.201 0.300 1 stop_ save_