data_34262 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Calcium bound form of human calmodulin mutant F141L ; _BMRB_accession_number 34262 _BMRB_flat_file_name bmr34262.str _Entry_type original _Submission_date 2018-04-23 _Accession_date 2018-04-23 _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 Grachov O. . . 2 Holt C. . . 3 Overgaard M. T. . 4 Wimmer R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 639 "13C chemical shifts" 602 "15N chemical shifts" 151 "T1 relaxation values" 143 "T2 relaxation values" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-13 update BMRB 'update entry citation' 2018-11-09 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 34263 'Calmodulin mutant - F141L apo-form Unstructured C-domain' stop_ _Original_release_date 2018-10-10 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Arrhythmia mutations in calmodulin cause conformational changes that affect interactions with the cardiac voltage-gated calcium channel ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30348784 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang K. . . 2 Holt C. . . 3 Lu J. . . 4 Brohus M. . . 5 Larsen K. T. . 6 Overgaard M. T. . 7 Wimmer R. . . 8 'van Petegem' F. . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 115 _Journal_issue 45 _Journal_ISSN 1091-6490 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E10556 _Page_last E10565 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Calmodulin-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 'entity_2, 1' $entity_CA 'entity_2, 2' $entity_CA 'entity_2, 3' $entity_CA 'entity_2, 4' $entity_CA stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 16687.334 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE LVQMMTAK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 GLN 4 LEU 5 THR 6 GLU 7 GLU 8 GLN 9 ILE 10 ALA 11 GLU 12 PHE 13 LYS 14 GLU 15 ALA 16 PHE 17 SER 18 LEU 19 PHE 20 ASP 21 LYS 22 ASP 23 GLY 24 ASP 25 GLY 26 THR 27 ILE 28 THR 29 THR 30 LYS 31 GLU 32 LEU 33 GLY 34 THR 35 VAL 36 MET 37 ARG 38 SER 39 LEU 40 GLY 41 GLN 42 ASN 43 PRO 44 THR 45 GLU 46 ALA 47 GLU 48 LEU 49 GLN 50 ASP 51 MET 52 ILE 53 ASN 54 GLU 55 VAL 56 ASP 57 ALA 58 ASP 59 GLY 60 ASN 61 GLY 62 THR 63 ILE 64 ASP 65 PHE 66 PRO 67 GLU 68 PHE 69 LEU 70 THR 71 MET 72 MET 73 ALA 74 ARG 75 LYS 76 MET 77 LYS 78 ASP 79 THR 80 ASP 81 SER 82 GLU 83 GLU 84 GLU 85 ILE 86 ARG 87 GLU 88 ALA 89 PHE 90 ARG 91 VAL 92 PHE 93 ASP 94 LYS 95 ASP 96 GLY 97 ASN 98 GLY 99 TYR 100 ILE 101 SER 102 ALA 103 ALA 104 GLU 105 LEU 106 ARG 107 HIS 108 VAL 109 MET 110 THR 111 ASN 112 LEU 113 GLY 114 GLU 115 LYS 116 LEU 117 THR 118 ASP 119 GLU 120 GLU 121 VAL 122 ASP 123 GLU 124 MET 125 ILE 126 ARG 127 GLU 128 ALA 129 ASP 130 ILE 131 ASP 132 GLY 133 ASP 134 GLY 135 GLN 136 VAL 137 ASN 138 TYR 139 GLU 140 GLU 141 LEU 142 VAL 143 GLN 144 MET 145 MET 146 THR 147 ALA 148 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CA (CALCIUM ION)" _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'CALM1, CALM, CAM, CAM1' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.53 mM [U-13C; U-15N] Calmodulin mutant F141L, 10 mM NA calcium chloride, 10 mM NA potassium chloride, 2 mM NA HEPES, 2 mM NA sodium azide, 0.1 mM NA TSP-d4, 95% H2O/5% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.53 mM '[U-13C; U-15N]' 'calcium chloride' 10 mM NA 'potassium chloride' 10 mM NA HEPES 2 mM NA 'sodium azide' 2 mM NA TSP 0.1 mM NA stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name YASARA _Version 18.2.7 loop_ _Vendor _Address _Electronic_address 'Krieger and Vriend' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CARA _Version 1.5.5 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details 'CPP-TCI probe' 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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D-15N-edited_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D-15N-edited TOCSY' _Sample_label $sample_1 save_ save_2D-CACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-CACO _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D-NCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-NCO _Sample_label $sample_1 save_ save_3D_HN(CA)CO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCDCE)HE_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label $sample_1 save_ save_3D_15N-edited_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label $sample_1 save_ save_3D_13C-edited_NOESY_aliphatic_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_13C-edited_NOESY_aromatic_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-edited NOESY aromatic' _Sample_label $sample_1 save_ save_15N_T1_20 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _Sample_label $sample_1 save_ save_15N_T2_21 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label $sample_1 save_ save_{1H}-15N-NOE_22 _Saveframe_category NMR_applied_experiment _Experiment_name {1H}-15N-NOE _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' 24 . mM pH 6.45 . pH* pressure 1 . bar temperature 298.1 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 TSP-d4 C 13 'methyl protons' ppm 0.00 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 TSP-d4 N 15 'methyl protons' ppm 0.00 internal 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D-15N-edited TOCSY' 2D-CACO '3D HNCA' '3D H(CCO)NH' '3D (H)CC(CO)NH' '3D HBHA(CO)NH' '3D CBCA(CO)NH' 2D-NCO '3D HN(CA)CO' '3D HNCO' '3D HNCACB' '2D (HB)CB(CGCD)HD' '2D (HB)CB(CGCDCE)HE' '3D 15N-edited NOESY' '3D 13C-edited NOESY aliphatic' '3D 13C-edited NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 1 ALA HA H 4.09 0.02 1 2 1 1 ALA HB H 1.52 0.02 1 3 1 1 ALA C C 173.9 0.2 1 4 1 1 ALA CA C 51.8 0.2 1 5 1 1 ALA CB C 19.4 0.2 1 6 2 2 ASP HA H 4.63 0.02 1 7 2 2 ASP HB2 H 2.70 0.02 2 8 2 2 ASP HB3 H 2.56 0.02 2 9 2 2 ASP C C 175.7 0.2 1 10 2 2 ASP CA C 54.7 0.2 1 11 2 2 ASP CB C 41.4 0.2 1 12 2 2 ASP CG C 180.0 0.2 1 13 3 3 GLN H H 8.41 0.02 1 14 3 3 GLN HA H 4.38 0.02 1 15 3 3 GLN HB2 H 1.98 0.02 2 16 3 3 GLN HB3 H 2.10 0.02 2 17 3 3 GLN HG2 H 2.36 0.02 1 18 3 3 GLN C C 175.8 0.2 1 19 3 3 GLN CA C 55.5 0.2 1 20 3 3 GLN CB C 30.0 0.2 1 21 3 3 GLN CG C 33.7 0.2 1 22 3 3 GLN N N 121.2 0.2 1 23 4 4 LEU H H 8.38 0.02 1 24 4 4 LEU HA H 4.67 0.02 1 25 4 4 LEU HB2 H 1.75 0.02 2 26 4 4 LEU HB3 H 1.52 0.02 2 27 4 4 LEU HG H 0.95 0.02 1 28 4 4 LEU HD1 H 0.95 0.02 1 29 4 4 LEU HD2 H 0.96 0.02 1 30 4 4 LEU C C 177.8 0.2 1 31 4 4 LEU CA C 54.4 0.2 1 32 4 4 LEU CB C 43.5 0.2 1 33 4 4 LEU CD1 C 23.9 0.2 1 34 4 4 LEU CD2 C 26.9 0.2 1 35 4 4 LEU N N 124.6 0.2 1 36 5 5 THR H H 8.78 0.02 1 37 5 5 THR HA H 4.46 0.02 1 38 5 5 THR HB H 4.76 0.02 1 39 5 5 THR HG2 H 1.34 0.02 1 40 5 5 THR C C 175.5 0.2 1 41 5 5 THR CA C 60.5 0.2 1 42 5 5 THR CB C 71.1 0.2 1 43 5 5 THR CG2 C 21.9 0.2 1 44 5 5 THR N N 114.3 0.2 1 45 6 6 GLU H H 9.08 0.02 1 46 6 6 GLU HA H 3.98 0.02 1 47 6 6 GLU HG2 H 2.42 0.02 2 48 6 6 GLU HG3 H 2.36 0.02 2 49 6 6 GLU C C 179.6 0.2 1 50 6 6 GLU CA C 60.1 0.2 1 51 6 6 GLU CB C 29.2 0.2 1 52 6 6 GLU CG C 36.6 0.2 1 53 6 6 GLU N N 121.7 0.2 1 54 7 7 GLU H H 8.78 0.02 1 55 7 7 GLU HA H 4.09 0.02 1 56 7 7 GLU HB2 H 2.06 0.02 2 57 7 7 GLU HB3 H 1.93 0.02 2 58 7 7 GLU HG2 H 2.32 0.02 2 59 7 7 GLU HG3 H 2.39 0.02 2 60 7 7 GLU C C 179.3 0.2 1 61 7 7 GLU CA C 59.9 0.2 1 62 7 7 GLU CB C 29.1 0.2 1 63 7 7 GLU CG C 36.8 0.2 1 64 7 7 GLU N N 120.9 0.2 1 65 8 8 GLN H H 7.81 0.02 1 66 8 8 GLN HA H 3.87 0.02 1 67 8 8 GLN C C 178.4 0.2 1 68 8 8 GLN CA C 58.6 0.2 1 69 8 8 GLN CB C 29.6 0.2 1 70 8 8 GLN CG C 34.9 0.2 1 71 8 8 GLN N N 121.6 0.2 1 72 9 9 ILE H H 8.45 0.02 1 73 9 9 ILE HA H 3.73 0.02 1 74 9 9 ILE HB H 1.97 0.02 1 75 9 9 ILE HG2 H 1.13 0.02 1 76 9 9 ILE HD1 H 0.87 0.02 1 77 9 9 ILE C C 177.9 0.2 1 78 9 9 ILE CA C 66.2 0.2 1 79 9 9 ILE CB C 37.8 0.2 1 80 9 9 ILE CG1 C 30.2 0.2 1 81 9 9 ILE CG2 C 17.4 0.2 1 82 9 9 ILE CD1 C 12.9 0.2 1 83 9 9 ILE N N 120.9 0.2 1 84 10 10 ALA H H 8.06 0.02 1 85 10 10 ALA HA H 4.14 0.02 1 86 10 10 ALA HB H 1.53 0.02 1 87 10 10 ALA C C 181.1 0.2 1 88 10 10 ALA CA C 55.5 0.2 1 89 10 10 ALA CB C 17.8 0.2 1 90 10 10 ALA N N 122.5 0.2 1 91 11 11 GLU H H 7.86 0.02 1 92 11 11 GLU HA H 4.17 0.02 1 93 11 11 GLU HB2 H 1.94 0.02 2 94 11 11 GLU HB3 H 2.06 0.02 2 95 11 11 GLU HG2 H 2.17 0.02 2 96 11 11 GLU HG3 H 2.40 0.02 2 97 11 11 GLU C C 180.6 0.2 1 98 11 11 GLU CA C 59.3 0.2 1 99 11 11 GLU CB C 29.0 0.2 1 100 11 11 GLU CG C 36.1 0.2 1 101 11 11 GLU N N 120.8 0.2 1 102 12 12 PHE H H 8.63 0.02 1 103 12 12 PHE HA H 5.07 0.02 1 104 12 12 PHE HB3 H 3.48 0.02 1 105 12 12 PHE C C 178.8 0.2 1 106 12 12 PHE CA C 59.2 0.2 1 107 12 12 PHE CB C 37.8 0.2 1 108 12 12 PHE CD1 C 130.9 0.2 1 109 12 12 PHE CE1 C 132.0 0.2 1 110 12 12 PHE N N 121.4 0.2 1 111 13 13 LYS H H 9.25 0.02 1 112 13 13 LYS HA H 4.02 0.02 1 113 13 13 LYS HG2 H 1.23 0.02 2 114 13 13 LYS HG3 H 1.05 0.02 2 115 13 13 LYS HD2 H 1.04 0.02 2 116 13 13 LYS HD3 H 1.37 0.02 2 117 13 13 LYS HE2 H 2.58 0.02 1 118 13 13 LYS C C 179.4 0.2 1 119 13 13 LYS CA C 60.0 0.2 1 120 13 13 LYS CB C 31.9 0.2 1 121 13 13 LYS CG C 25.5 0.2 1 122 13 13 LYS CD C 28.5 0.2 1 123 13 13 LYS CE C 41.8 0.2 1 124 13 13 LYS N N 124.8 0.2 1 125 14 14 GLU H H 7.85 0.02 1 126 14 14 GLU HA H 4.16 0.02 1 127 14 14 GLU HB2 H 2.22 0.02 2 128 14 14 GLU HB3 H 2.30 0.02 2 129 14 14 GLU HG2 H 2.42 0.02 1 130 14 14 GLU C C 179.5 0.2 1 131 14 14 GLU CA C 59.4 0.2 1 132 14 14 GLU CB C 29.1 0.2 1 133 14 14 GLU CG C 36.1 0.2 1 134 14 14 GLU N N 121.6 0.2 1 135 15 15 ALA H H 8.05 0.02 1 136 15 15 ALA HA H 4.32 0.02 1 137 15 15 ALA HB H 1.98 0.02 1 138 15 15 ALA C C 179.2 0.2 1 139 15 15 ALA CA C 55.3 0.2 1 140 15 15 ALA CB C 18.1 0.2 1 141 15 15 ALA N N 123.9 0.2 1 142 16 16 PHE H H 8.88 0.02 1 143 16 16 PHE HA H 3.24 0.02 1 144 16 16 PHE HB2 H 2.94 0.02 1 145 16 16 PHE HZ H 7.20 0.02 1 146 16 16 PHE C C 177.5 0.2 1 147 16 16 PHE CA C 62.0 0.2 1 148 16 16 PHE CB C 39.5 0.2 1 149 16 16 PHE CD1 C 132.5 0.2 1 150 16 16 PHE CE1 C 131.6 0.2 1 151 16 16 PHE CZ C 130.1 0.2 1 152 16 16 PHE N N 120.6 0.2 1 153 17 17 SER H H 8.01 0.02 1 154 17 17 SER HA H 4.14 0.02 1 155 17 17 SER C C 175.0 0.2 1 156 17 17 SER CA C 61.5 0.2 1 157 17 17 SER CB C 63.3 0.2 1 158 17 17 SER N N 114.1 0.2 1 159 18 18 LEU H H 7.47 0.02 1 160 18 18 LEU HA H 4.01 0.02 1 161 18 18 LEU HB2 H 1.74 0.02 2 162 18 18 LEU HB3 H 1.62 0.02 2 163 18 18 LEU HG H 1.49 0.02 1 164 18 18 LEU HD1 H 0.84 0.02 1 165 18 18 LEU HD2 H 0.72 0.02 1 166 18 18 LEU C C 178.0 0.2 1 167 18 18 LEU CA C 57.2 0.2 1 168 18 18 LEU CB C 41.4 0.2 1 169 18 18 LEU CG C 26.7 0.2 1 170 18 18 LEU CD1 C 24.4 0.2 1 171 18 18 LEU CD2 C 23.9 0.2 1 172 18 18 LEU N N 122.1 0.2 1 173 19 19 PHE H H 7.32 0.02 1 174 19 19 PHE HA H 4.24 0.02 1 175 19 19 PHE C C 176.9 0.2 1 176 19 19 PHE CA C 59.4 0.2 1 177 19 19 PHE CB C 41.0 0.2 1 178 19 19 PHE CD1 C 132.5 0.2 1 179 19 19 PHE CE1 C 131.7 0.2 1 180 19 19 PHE N N 116.1 0.2 1 181 20 20 ASP H H 7.91 0.02 1 182 20 20 ASP HA H 4.56 0.02 1 183 20 20 ASP HB2 H 2.38 0.02 2 184 20 20 ASP HB3 H 1.51 0.02 2 185 20 20 ASP C C 177.3 0.2 1 186 20 20 ASP CA C 52.4 0.2 1 187 20 20 ASP CB C 38.9 0.2 1 188 20 20 ASP N N 118.9 0.2 1 189 21 21 LYS H H 7.74 0.02 1 190 21 21 LYS HA H 4.00 0.02 1 191 21 21 LYS HD2 H 1.54 0.02 2 192 21 21 LYS HD3 H 1.59 0.02 2 193 21 21 LYS C C 178.2 0.2 1 194 21 21 LYS CA C 58.4 0.2 1 195 21 21 LYS CB C 32.6 0.2 1 196 21 21 LYS CG C 28.4 0.2 1 197 21 21 LYS CD C 24.6 0.2 1 198 21 21 LYS CE C 41.9 0.2 1 199 21 21 LYS N N 125.6 0.2 1 200 22 22 ASP H H 8.09 0.02 1 201 22 22 ASP HA H 4.61 0.02 1 202 22 22 ASP HB2 H 3.08 0.02 2 203 22 22 ASP HB3 H 2.65 0.02 2 204 22 22 ASP C C 177.8 0.2 1 205 22 22 ASP CA C 52.7 0.2 1 206 22 22 ASP CB C 39.5 0.2 1 207 22 22 ASP N N 115.1 0.2 1 208 23 23 GLY H H 7.73 0.02 1 209 23 23 GLY C C 175.2 0.2 1 210 23 23 GLY CA C 47.2 0.2 1 211 23 23 GLY N N 110.5 0.2 1 212 24 24 ASP H H 8.44 0.02 1 213 24 24 ASP HA H 4.51 0.02 1 214 24 24 ASP HB2 H 3.06 0.02 2 215 24 24 ASP HB3 H 2.46 0.02 2 216 24 24 ASP C C 177.5 0.2 1 217 24 24 ASP CA C 53.7 0.2 1 218 24 24 ASP CB C 40.4 0.2 1 219 24 24 ASP N N 121.9 0.2 1 220 25 25 GLY H H 10.66 0.02 1 221 25 25 GLY HA2 H 3.74 0.02 2 222 25 25 GLY HA3 H 4.37 0.02 2 223 25 25 GLY C C 173.8 0.2 1 224 25 25 GLY CA C 45.5 0.2 1 225 25 25 GLY N N 114.5 0.2 1 226 26 26 THR H H 8.18 0.02 1 227 26 26 THR HA H 5.33 0.02 1 228 26 26 THR HB H 3.86 0.02 1 229 26 26 THR HG2 H 1.05 0.02 1 230 26 26 THR C C 173.0 0.2 1 231 26 26 THR CA C 59.8 0.2 1 232 26 26 THR CB C 72.7 0.2 1 233 26 26 THR CG2 C 21.6 0.2 1 234 26 26 THR N N 114.1 0.2 1 235 27 27 ILE H H 9.85 0.02 1 236 27 27 ILE HA H 4.98 0.02 1 237 27 27 ILE HB H 1.80 0.02 1 238 27 27 ILE HG2 H 0.88 0.02 1 239 27 27 ILE HD1 H 0.26 0.02 1 240 27 27 ILE C C 176.1 0.2 1 241 27 27 ILE CA C 60.5 0.2 1 242 27 27 ILE CB C 39.7 0.2 1 243 27 27 ILE CG1 C 26.9 0.2 1 244 27 27 ILE CG2 C 17.6 0.2 1 245 27 27 ILE CD1 C 15.4 0.2 1 246 27 27 ILE N N 128.2 0.2 1 247 28 28 THR H H 8.49 0.02 1 248 28 28 THR HA H 4.82 0.02 1 249 28 28 THR HG2 H 1.31 0.02 1 250 28 28 THR C C 176.7 0.2 1 251 28 28 THR CA C 59.5 0.2 1 252 28 28 THR CB C 72.3 0.2 1 253 28 28 THR CG2 C 21.9 0.2 1 254 28 28 THR N N 117.7 0.2 1 255 29 29 THR H H 9.18 0.02 1 256 29 29 THR HA H 3.82 0.02 1 257 29 29 THR HB H 4.22 0.02 1 258 29 29 THR HG2 H 1.28 0.02 1 259 29 29 THR C C 177.4 0.2 1 260 29 29 THR CA C 66.4 0.2 1 261 29 29 THR CB C 67.9 0.2 1 262 29 29 THR CG2 C 23.4 0.2 1 263 29 29 THR N N 114.0 0.2 1 264 30 30 LYS H H 7.72 0.02 1 265 30 30 LYS HA H 4.11 0.02 1 266 30 30 LYS HG3 H 1.67 0.02 1 267 30 30 LYS HD2 H 1.51 0.02 2 268 30 30 LYS HD3 H 1.42 0.02 2 269 30 30 LYS C C 179.9 0.2 1 270 30 30 LYS CA C 59.2 0.2 1 271 30 30 LYS CB C 32.5 0.2 1 272 30 30 LYS CG C 29.2 0.2 1 273 30 30 LYS CD C 24.9 0.2 1 274 30 30 LYS CE C 41.9 0.2 1 275 30 30 LYS N N 122.2 0.2 1 276 31 31 GLU H H 7.74 0.02 1 277 31 31 GLU HA H 4.04 0.02 1 278 31 31 GLU HB2 H 2.61 0.02 2 279 31 31 GLU HB3 H 2.41 0.02 2 280 31 31 GLU C C 179.3 0.2 1 281 31 31 GLU CA C 59.4 0.2 1 282 31 31 GLU CB C 29.6 0.2 1 283 31 31 GLU CG C 38.1 0.2 1 284 31 31 GLU N N 122.8 0.2 1 285 32 32 LEU H H 8.77 0.02 1 286 32 32 LEU HA H 4.12 0.02 1 287 32 32 LEU HB2 H 1.90 0.02 2 288 32 32 LEU HB3 H 1.55 0.02 2 289 32 32 LEU HD1 H 0.83 0.02 1 290 32 32 LEU HD2 H 0.87 0.02 1 291 32 32 LEU C C 179.0 0.2 1 292 32 32 LEU CA C 58.1 0.2 1 293 32 32 LEU CB C 42.8 0.2 1 294 32 32 LEU CD1 C 23.5 0.2 1 295 32 32 LEU CD2 C 25.9 0.2 1 296 32 32 LEU N N 122.0 0.2 1 297 33 33 GLY H H 8.71 0.02 1 298 33 33 GLY HA2 H 3.60 0.02 2 299 33 33 GLY HA3 H 4.02 0.02 2 300 33 33 GLY C C 175.2 0.2 1 301 33 33 GLY CA C 48.4 0.2 1 302 33 33 GLY N N 106.8 0.2 1 303 34 34 THR H H 7.98 0.02 1 304 34 34 THR HA H 3.93 0.02 1 305 34 34 THR HB H 4.33 0.02 1 306 34 34 THR HG2 H 1.28 0.02 1 307 34 34 THR C C 177.2 0.2 1 308 34 34 THR CA C 67.0 0.2 1 309 34 34 THR CB C 68.8 0.2 1 310 34 34 THR CG2 C 21.6 0.2 1 311 34 34 THR N N 119.3 0.2 1 312 35 35 VAL H H 7.66 0.02 1 313 35 35 VAL HA H 3.54 0.02 1 314 35 35 VAL HB H 1.99 0.02 1 315 35 35 VAL HG1 H 0.69 0.02 1 316 35 35 VAL HG2 H 0.44 0.02 1 317 35 35 VAL C C 179.3 0.2 1 318 35 35 VAL CA C 66.3 0.2 1 319 35 35 VAL CB C 31.4 0.2 1 320 35 35 VAL CG1 C 22.9 0.2 1 321 35 35 VAL CG2 C 20.6 0.2 1 322 35 35 VAL N N 123.3 0.2 1 323 36 36 MET H H 8.52 0.02 1 324 36 36 MET HA H 4.08 0.02 1 325 36 36 MET HB2 H 2.02 0.02 2 326 36 36 MET HB3 H 1.90 0.02 2 327 36 36 MET HG2 H 2.71 0.02 2 328 36 36 MET HG3 H 2.64 0.02 2 329 36 36 MET C C 179.2 0.2 1 330 36 36 MET CA C 59.0 0.2 1 331 36 36 MET CB C 31.4 0.2 1 332 36 36 MET CG C 32.8 0.2 1 333 36 36 MET N N 119.7 0.2 1 334 37 37 ARG H H 8.60 0.02 1 335 37 37 ARG HA H 4.84 0.02 1 336 37 37 ARG HD2 H 3.33 0.02 2 337 37 37 ARG HD3 H 3.14 0.02 2 338 37 37 ARG C C 181.3 0.2 1 339 37 37 ARG CA C 59.2 0.2 1 340 37 37 ARG CB C 30.1 0.2 1 341 37 37 ARG CG C 27.7 0.2 1 342 37 37 ARG CD C 43.5 0.2 1 343 37 37 ARG N N 120.2 0.2 1 344 38 38 SER H H 7.95 0.02 1 345 38 38 SER HA H 4.42 0.02 1 346 38 38 SER C C 174.8 0.2 1 347 38 38 SER CA C 61.6 0.2 1 348 38 38 SER CB C 62.8 0.2 1 349 38 38 SER N N 120.1 0.2 1 350 39 39 LEU H H 7.40 0.02 1 351 39 39 LEU HA H 4.51 0.02 1 352 39 39 LEU HB2 H 1.90 0.02 2 353 39 39 LEU HB3 H 1.81 0.02 2 354 39 39 LEU HD1 H 0.85 0.02 1 355 39 39 LEU HD2 H 0.84 0.02 1 356 39 39 LEU C C 177.6 0.2 1 357 39 39 LEU CA C 54.5 0.2 1 358 39 39 LEU CB C 42.0 0.2 1 359 39 39 LEU CD1 C 25.5 0.2 1 360 39 39 LEU CD2 C 22.3 0.2 1 361 39 39 LEU N N 121.9 0.2 1 362 40 40 GLY H H 7.91 0.02 1 363 40 40 GLY HA2 H 3.80 0.02 2 364 40 40 GLY HA3 H 4.28 0.02 2 365 40 40 GLY C C 174.5 0.2 1 366 40 40 GLY CA C 45.5 0.2 1 367 40 40 GLY N N 108.0 0.2 1 368 41 41 GLN H H 7.84 0.02 1 369 41 41 GLN HA H 4.49 0.02 1 370 41 41 GLN HE21 H 7.40 0.02 1 371 41 41 GLN HE22 H 6.76 0.02 1 372 41 41 GLN C C 174.2 0.2 1 373 41 41 GLN CA C 54.5 0.2 1 374 41 41 GLN CB C 30.4 0.2 1 375 41 41 GLN CG C 33.8 0.2 1 376 41 41 GLN CD C 175.5 0.2 1 377 41 41 GLN N N 119.7 0.2 1 378 41 41 GLN NE2 N 112.6 0.2 1 379 42 42 ASN H H 8.78 0.02 1 380 42 42 ASN HA H 5.21 0.02 1 381 42 42 ASN HB2 H 2.53 0.02 2 382 42 42 ASN HB3 H 2.80 0.02 2 383 42 42 ASN HD21 H 7.55 0.02 1 384 42 42 ASN HD22 H 6.85 0.02 1 385 42 42 ASN C C 172.0 0.2 1 386 42 42 ASN CA C 51.3 0.2 1 387 42 42 ASN CB C 39.2 0.2 1 388 42 42 ASN N N 117.5 0.2 1 389 42 42 ASN ND2 N 113.4 0.2 1 390 43 43 PRO HA H 4.79 0.02 1 391 43 43 PRO HB2 H 2.26 0.02 2 392 43 43 PRO HB3 H 1.94 0.02 2 393 43 43 PRO HD2 H 3.61 0.02 2 394 43 43 PRO HD3 H 3.31 0.02 2 395 43 43 PRO C C 177.9 0.2 1 396 43 43 PRO CA C 62.4 0.2 1 397 43 43 PRO CB C 31.9 0.2 1 398 43 43 PRO CG C 27.6 0.2 1 399 43 43 PRO CD C 49.9 0.2 1 400 44 44 THR H H 8.84 0.02 1 401 44 44 THR HA H 4.46 0.02 1 402 44 44 THR HB H 4.74 0.02 1 403 44 44 THR HG2 H 1.36 0.02 1 404 44 44 THR C C 175.2 0.2 1 405 44 44 THR CA C 60.6 0.2 1 406 44 44 THR CB C 71.1 0.2 1 407 44 44 THR CG2 C 21.8 0.2 1 408 44 44 THR N N 114.4 0.2 1 409 45 45 GLU H H 8.87 0.02 1 410 45 45 GLU HA H 4.00 0.02 1 411 45 45 GLU HB2 H 2.36 0.02 2 412 45 45 GLU HB3 H 2.07 0.02 2 413 45 45 GLU C C 179.0 0.2 1 414 45 45 GLU CA C 60.1 0.2 1 415 45 45 GLU CB C 29.2 0.2 1 416 45 45 GLU CG C 36.1 0.2 1 417 45 45 GLU N N 121.9 0.2 1 418 46 46 ALA H H 8.33 0.02 1 419 46 46 ALA HA H 4.12 0.02 1 420 46 46 ALA HB H 1.41 0.02 1 421 46 46 ALA C C 180.3 0.2 1 422 46 46 ALA CA C 55.0 0.2 1 423 46 46 ALA CB C 18.2 0.2 1 424 46 46 ALA N N 122.0 0.2 1 425 47 47 GLU H H 7.76 0.02 1 426 47 47 GLU HA H 4.03 0.02 1 427 47 47 GLU HB2 H 2.37 0.02 2 428 47 47 GLU HB3 H 1.90 0.02 2 429 47 47 GLU C C 180.3 0.2 1 430 47 47 GLU CA C 59.2 0.2 1 431 47 47 GLU CB C 29.3 0.2 1 432 47 47 GLU CG C 37.4 0.2 1 433 47 47 GLU N N 120.0 0.2 1 434 48 48 LEU H H 8.23 0.02 1 435 48 48 LEU HA H 4.10 0.02 1 436 48 48 LEU HB2 H 2.10 0.02 2 437 48 48 LEU HB3 H 1.26 0.02 2 438 48 48 LEU HD1 H 0.83 0.02 1 439 48 48 LEU HD2 H 0.90 0.02 1 440 48 48 LEU C C 178.6 0.2 1 441 48 48 LEU CA C 57.9 0.2 1 442 48 48 LEU CB C 42.4 0.2 1 443 48 48 LEU CD1 C 25.6 0.2 1 444 48 48 LEU CD2 C 23.8 0.2 1 445 48 48 LEU N N 121.7 0.2 1 446 49 49 GLN H H 8.25 0.02 1 447 49 49 GLN HA H 3.87 0.02 1 448 49 49 GLN HE21 H 7.55 0.02 1 449 49 49 GLN HE22 H 6.92 0.02 1 450 49 49 GLN C C 178.6 0.2 1 451 49 49 GLN CA C 58.6 0.2 1 452 49 49 GLN CB C 28.0 0.2 1 453 49 49 GLN CG C 34.1 0.2 1 454 49 49 GLN N N 119.5 0.2 1 455 49 49 GLN NE2 N 114.2 0.2 1 456 50 50 ASP H H 8.15 0.02 1 457 50 50 ASP HA H 4.43 0.02 1 458 50 50 ASP HB2 H 2.80 0.02 2 459 50 50 ASP HB3 H 2.68 0.02 2 460 50 50 ASP C C 178.7 0.2 1 461 50 50 ASP CA C 57.6 0.2 1 462 50 50 ASP CB C 40.3 0.2 1 463 50 50 ASP CG C 179.3 0.2 1 464 50 50 ASP N N 121.2 0.2 1 465 51 51 MET H H 7.89 0.02 1 466 51 51 MET HA H 4.04 0.02 1 467 51 51 MET HB2 H 2.35 0.02 2 468 51 51 MET HB3 H 1.98 0.02 2 469 51 51 MET HG2 H 2.80 0.02 2 470 51 51 MET HG3 H 2.57 0.02 2 471 51 51 MET HE H 2.04 0.02 1 472 51 51 MET C C 179.0 0.2 1 473 51 51 MET CA C 59.2 0.2 1 474 51 51 MET CB C 33.4 0.2 1 475 51 51 MET CG C 32.6 0.2 1 476 51 51 MET CE C 16.8 0.2 1 477 51 51 MET N N 120.6 0.2 1 478 52 52 ILE H H 7.75 0.02 1 479 52 52 ILE HA H 3.51 0.02 1 480 52 52 ILE HB H 1.96 0.02 1 481 52 52 ILE HG12 H 1.70 0.02 2 482 52 52 ILE HG13 H 1.03 0.02 2 483 52 52 ILE HG2 H 0.70 0.02 1 484 52 52 ILE HD1 H 0.74 0.02 1 485 52 52 ILE C C 177.9 0.2 1 486 52 52 ILE CA C 64.8 0.2 1 487 52 52 ILE CB C 37.2 0.2 1 488 52 52 ILE CG1 C 28.6 0.2 1 489 52 52 ILE CG2 C 16.0 0.2 1 490 52 52 ILE CD1 C 12.9 0.2 1 491 52 52 ILE N N 119.4 0.2 1 492 53 53 ASN H H 8.65 0.02 1 493 53 53 ASN HA H 4.39 0.02 1 494 53 53 ASN HB2 H 3.01 0.02 2 495 53 53 ASN HB3 H 2.89 0.02 2 496 53 53 ASN HD21 H 7.90 0.02 1 497 53 53 ASN HD22 H 7.00 0.02 1 498 53 53 ASN C C 177.5 0.2 1 499 53 53 ASN CA C 55.9 0.2 1 500 53 53 ASN CB C 38.0 0.2 1 501 53 53 ASN N N 119.0 0.2 1 502 53 53 ASN ND2 N 113.0 0.2 1 503 54 54 GLU H H 7.61 0.02 1 504 54 54 GLU HA H 4.04 0.02 1 505 54 54 GLU HB2 H 2.10 0.02 2 506 54 54 GLU HB3 H 2.02 0.02 2 507 54 54 GLU HG2 H 2.44 0.02 2 508 54 54 GLU HG3 H 2.28 0.02 2 509 54 54 GLU C C 177.7 0.2 1 510 54 54 GLU CA C 58.9 0.2 1 511 54 54 GLU CB C 29.8 0.2 1 512 54 54 GLU CG C 36.3 0.2 1 513 54 54 GLU N N 117.6 0.2 1 514 55 55 VAL H H 7.26 0.02 1 515 55 55 VAL HA H 4.47 0.02 1 516 55 55 VAL HB H 2.39 0.02 1 517 55 55 VAL HG1 H 0.83 0.02 1 518 55 55 VAL HG2 H 0.92 0.02 1 519 55 55 VAL C C 175.8 0.2 1 520 55 55 VAL CA C 60.7 0.2 1 521 55 55 VAL CB C 32.7 0.2 1 522 55 55 VAL CG1 C 21.8 0.2 1 523 55 55 VAL CG2 C 19.4 0.2 1 524 55 55 VAL N N 109.8 0.2 1 525 56 56 ASP H H 7.71 0.02 1 526 56 56 ASP HA H 4.64 0.02 1 527 56 56 ASP HB2 H 2.76 0.02 2 528 56 56 ASP HB3 H 2.57 0.02 2 529 56 56 ASP C C 176.3 0.2 1 530 56 56 ASP CA C 53.7 0.2 1 531 56 56 ASP CB C 40.0 0.2 1 532 56 56 ASP N N 123.1 0.2 1 533 57 57 ALA H H 8.49 0.02 1 534 57 57 ALA HA H 4.22 0.02 1 535 57 57 ALA HB H 1.52 0.02 1 536 57 57 ALA C C 178.7 0.2 1 537 57 57 ALA CA C 54.3 0.2 1 538 57 57 ALA CB C 19.5 0.2 1 539 57 57 ALA N N 133.0 0.2 1 540 58 58 ASP H H 8.19 0.02 1 541 58 58 ASP HA H 4.66 0.02 1 542 58 58 ASP HB2 H 2.66 0.02 2 543 58 58 ASP HB3 H 3.07 0.02 2 544 58 58 ASP C C 177.9 0.2 1 545 58 58 ASP CA C 52.7 0.2 1 546 58 58 ASP CB C 39.6 0.2 1 547 58 58 ASP N N 115.0 0.2 1 548 59 59 GLY H H 7.63 0.02 1 549 59 59 GLY HA2 H 3.97 0.02 2 550 59 59 GLY HA3 H 3.81 0.02 2 551 59 59 GLY C C 175.0 0.2 1 552 59 59 GLY CA C 47.4 0.2 1 553 59 59 GLY N N 109.6 0.2 1 554 60 60 ASN H H 8.13 0.02 1 555 60 60 ASN HA H 4.65 0.02 1 556 60 60 ASN HB2 H 3.31 0.02 2 557 60 60 ASN HB3 H 2.65 0.02 2 558 60 60 ASN HD21 H 7.80 0.02 1 559 60 60 ASN HD22 H 7.03 0.02 1 560 60 60 ASN C C 176.9 0.2 1 561 60 60 ASN CA C 52.6 0.2 1 562 60 60 ASN CB C 37.7 0.2 1 563 60 60 ASN N N 119.7 0.2 1 564 60 60 ASN ND2 N 116.3 0.2 1 565 61 61 GLY H H 10.65 0.02 1 566 61 61 GLY HA2 H 3.51 0.02 2 567 61 61 GLY HA3 H 4.24 0.02 2 568 61 61 GLY C C 173.4 0.2 1 569 61 61 GLY CA C 45.7 0.2 1 570 61 61 GLY N N 114.7 0.2 1 571 62 62 THR H H 7.72 0.02 1 572 62 62 THR HA H 4.79 0.02 1 573 62 62 THR HB H 4.02 0.02 1 574 62 62 THR HG2 H 1.12 0.02 1 575 62 62 THR C C 173.3 0.2 1 576 62 62 THR CA C 59.5 0.2 1 577 62 62 THR CB C 72.0 0.2 1 578 62 62 THR CG2 C 22.4 0.2 1 579 62 62 THR N N 110.2 0.2 1 580 63 63 ILE H H 8.93 0.02 1 581 63 63 ILE HA H 5.17 0.02 1 582 63 63 ILE HB H 2.05 0.02 1 583 63 63 ILE HG2 H 1.24 0.02 1 584 63 63 ILE HD1 H 0.82 0.02 1 585 63 63 ILE C C 175.6 0.2 1 586 63 63 ILE CA C 60.1 0.2 1 587 63 63 ILE CB C 39.9 0.2 1 588 63 63 ILE CG1 C 27.4 0.2 1 589 63 63 ILE CG2 C 18.4 0.2 1 590 63 63 ILE CD1 C 13.7 0.2 1 591 63 63 ILE N N 124.9 0.2 1 592 64 64 ASP H H 8.86 0.02 1 593 64 64 ASP HA H 5.39 0.02 1 594 64 64 ASP HB2 H 3.12 0.02 2 595 64 64 ASP HB3 H 2.85 0.02 2 596 64 64 ASP C C 176.4 0.2 1 597 64 64 ASP CA C 52.1 0.2 1 598 64 64 ASP CB C 42.2 0.2 1 599 64 64 ASP CG C 178.9 0.2 1 600 64 64 ASP N N 129.4 0.2 1 601 65 65 PHE H H 8.98 0.02 1 602 65 65 PHE HA H 4.02 0.02 1 603 65 65 PHE HB2 H 2.16 0.02 1 604 65 65 PHE C C 173.6 0.2 1 605 65 65 PHE CA C 63.6 0.2 1 606 65 65 PHE CB C 36.0 0.2 1 607 65 65 PHE CD1 C 132.4 0.2 1 608 65 65 PHE CE1 C 131.2 0.2 1 609 65 65 PHE N N 120.0 0.2 1 610 66 66 PRO HA H 3.89 0.02 1 611 66 66 PRO HB2 H 2.22 0.02 2 612 66 66 PRO HB3 H 1.92 0.02 2 613 66 66 PRO C C 180.2 0.2 1 614 66 66 PRO CA C 66.6 0.2 1 615 66 66 PRO CB C 30.4 0.2 1 616 66 66 PRO CG C 28.2 0.2 1 617 66 66 PRO CD C 49.0 0.2 1 618 67 67 GLU H H 8.03 0.02 1 619 67 67 GLU HA H 4.12 0.02 1 620 67 67 GLU HB2 H 2.09 0.02 2 621 67 67 GLU HB3 H 2.04 0.02 2 622 67 67 GLU HG2 H 2.62 0.02 2 623 67 67 GLU HG3 H 2.52 0.02 2 624 67 67 GLU C C 178.9 0.2 1 625 67 67 GLU CA C 58.7 0.2 1 626 67 67 GLU CB C 29.2 0.2 1 627 67 67 GLU CG C 36.8 0.2 1 628 67 67 GLU N N 118.9 0.2 1 629 68 68 PHE H H 8.90 0.02 1 630 68 68 PHE HA H 3.98 0.02 1 631 68 68 PHE HB2 H 3.53 0.02 2 632 68 68 PHE HB3 H 3.19 0.02 2 633 68 68 PHE C C 177.1 0.2 1 634 68 68 PHE CA C 61.2 0.2 1 635 68 68 PHE CB C 40.0 0.2 1 636 68 68 PHE CE1 C 131.6 0.2 1 637 68 68 PHE N N 124.9 0.2 1 638 69 69 LEU H H 8.42 0.02 1 639 69 69 LEU HA H 3.36 0.02 1 640 69 69 LEU HB2 H 1.59 0.02 2 641 69 69 LEU HB3 H 1.16 0.02 2 642 69 69 LEU HG H 1.03 0.02 1 643 69 69 LEU HD1 H 0.62 0.02 1 644 69 69 LEU HD2 H 0.63 0.02 1 645 69 69 LEU C C 179.4 0.2 1 646 69 69 LEU CA C 57.9 0.2 1 647 69 69 LEU CB C 40.8 0.2 1 648 69 69 LEU CD1 C 25.5 0.2 1 649 69 69 LEU CD2 C 24.1 0.2 1 650 69 69 LEU N N 120.2 0.2 1 651 70 70 THR H H 7.57 0.02 1 652 70 70 THR HA H 3.81 0.02 1 653 70 70 THR HB H 4.33 0.02 1 654 70 70 THR HG2 H 1.21 0.02 1 655 70 70 THR C C 176.2 0.2 1 656 70 70 THR CA C 66.4 0.2 1 657 70 70 THR CB C 68.4 0.2 1 658 70 70 THR CG2 C 22.1 0.2 1 659 70 70 THR N N 116.9 0.2 1 660 71 71 MET H H 7.82 0.02 1 661 71 71 MET HA H 3.79 0.02 1 662 71 71 MET HB2 H 2.13 0.02 2 663 71 71 MET HB3 H 1.99 0.02 2 664 71 71 MET HG2 H 2.45 0.02 2 665 71 71 MET HG3 H 2.12 0.02 2 666 71 71 MET HE H 1.78 0.02 1 667 71 71 MET C C 178.2 0.2 1 668 71 71 MET CA C 58.9 0.2 1 669 71 71 MET CB C 33.6 0.2 1 670 71 71 MET CG C 31.5 0.2 1 671 71 71 MET CE C 17.3 0.2 1 672 71 71 MET N N 123.0 0.2 1 673 72 72 MET H H 8.11 0.02 1 674 72 72 MET HA H 4.02 0.02 1 675 72 72 MET HB3 H 1.11 0.02 1 676 72 72 MET HG2 H 1.33 0.02 1 677 72 72 MET HE H 1.70 0.02 1 678 72 72 MET C C 178.6 0.2 1 679 72 72 MET CA C 55.8 0.2 1 680 72 72 MET CB C 32.1 0.2 1 681 72 72 MET CG C 32.1 0.2 1 682 72 72 MET CE C 17.6 0.2 1 683 72 72 MET N N 118.0 0.2 1 684 73 73 ALA H H 8.21 0.02 1 685 73 73 ALA HA H 4.11 0.02 1 686 73 73 ALA HB H 1.42 0.02 1 687 73 73 ALA C C 179.8 0.2 1 688 73 73 ALA CA C 54.5 0.2 1 689 73 73 ALA CB C 18.2 0.2 1 690 73 73 ALA N N 123.5 0.2 1 691 74 74 ARG H H 7.61 0.02 1 692 74 74 ARG HA H 4.10 0.02 1 693 74 74 ARG HG2 H 1.65 0.02 1 694 74 74 ARG C C 177.7 0.2 1 695 74 74 ARG CA C 58.1 0.2 1 696 74 74 ARG CB C 30.1 0.2 1 697 74 74 ARG CD C 43.7 0.2 1 698 74 74 ARG N N 118.2 0.2 1 699 75 75 LYS H H 7.70 0.02 1 700 75 75 LYS HA H 4.23 0.02 1 701 75 75 LYS C C 177.7 0.2 1 702 75 75 LYS CA C 57.2 0.2 1 703 75 75 LYS CB C 32.5 0.2 1 704 75 75 LYS CD C 24.6 0.2 1 705 75 75 LYS CE C 41.9 0.2 1 706 75 75 LYS N N 120.1 0.2 1 707 76 76 MET H H 7.94 0.02 1 708 76 76 MET HA H 4.37 0.02 1 709 76 76 MET HB2 H 2.12 0.02 2 710 76 76 MET HB3 H 2.19 0.02 2 711 76 76 MET HG2 H 2.72 0.02 2 712 76 76 MET HG3 H 2.63 0.02 2 713 76 76 MET HE H 2.11 0.02 1 714 76 76 MET C C 176.5 0.2 1 715 76 76 MET CA C 56.5 0.2 1 716 76 76 MET CB C 32.9 0.2 1 717 76 76 MET CG C 32.1 0.2 1 718 76 76 MET CE C 17.0 0.2 1 719 76 76 MET N N 119.9 0.2 1 720 77 77 LYS H H 7.93 0.02 1 721 77 77 LYS HA H 4.33 0.02 1 722 77 77 LYS HB2 H 1.86 0.02 1 723 77 77 LYS C C 176.5 0.2 1 724 77 77 LYS CA C 56.6 0.2 1 725 77 77 LYS CB C 32.9 0.2 1 726 77 77 LYS CG C 29.1 0.2 1 727 77 77 LYS CD C 24.5 0.2 1 728 77 77 LYS CE C 42.3 0.2 1 729 77 77 LYS N N 122.0 0.2 1 730 78 78 ASP H H 8.35 0.02 1 731 78 78 ASP HA H 4.70 0.02 1 732 78 78 ASP HB2 H 2.78 0.02 2 733 78 78 ASP HB3 H 2.68 0.02 2 734 78 78 ASP C C 176.7 0.2 1 735 78 78 ASP CA C 54.6 0.2 1 736 78 78 ASP CB C 41.1 0.2 1 737 78 78 ASP CG C 180.3 0.2 1 738 78 78 ASP N N 122.9 0.2 1 739 79 79 THR H H 8.16 0.02 1 740 79 79 THR HA H 4.34 0.02 1 741 79 79 THR HB H 4.28 0.02 1 742 79 79 THR HG2 H 1.22 0.02 1 743 79 79 THR C C 174.5 0.2 1 744 79 79 THR CA C 62.2 0.2 1 745 79 79 THR CB C 69.7 0.2 1 746 79 79 THR CG2 C 21.6 0.2 1 747 79 79 THR N N 116.0 0.2 1 748 80 80 ASP H H 8.49 0.02 1 749 80 80 ASP HA H 4.74 0.02 1 750 80 80 ASP C C 176.7 0.2 1 751 80 80 ASP CA C 54.6 0.2 1 752 80 80 ASP CB C 41.0 0.2 1 753 80 80 ASP N N 124.4 0.2 1 754 81 81 SER H H 8.45 0.02 1 755 81 81 SER HA H 4.48 0.02 1 756 81 81 SER HB2 H 4.07 0.02 2 757 81 81 SER HB3 H 3.96 0.02 2 758 81 81 SER C C 175.5 0.2 1 759 81 81 SER CA C 59.0 0.2 1 760 81 81 SER CB C 63.9 0.2 1 761 81 81 SER N N 118.2 0.2 1 762 82 82 GLU H H 8.64 0.02 1 763 82 82 GLU HA H 4.09 0.02 1 764 82 82 GLU C C 178.0 0.2 1 765 82 82 GLU CA C 59.4 0.2 1 766 82 82 GLU CB C 29.2 0.2 1 767 82 82 GLU CG C 36.6 0.2 1 768 82 82 GLU N N 123.7 0.2 1 769 83 83 GLU H H 8.42 0.02 1 770 83 83 GLU HA H 4.03 0.02 1 771 83 83 GLU HB2 H 2.08 0.02 1 772 83 83 GLU C C 178.7 0.2 1 773 83 83 GLU CA C 59.4 0.2 1 774 83 83 GLU CB C 29.4 0.2 1 775 83 83 GLU CG C 36.1 0.2 1 776 83 83 GLU N N 120.9 0.2 1 777 84 84 GLU H H 8.15 0.02 1 778 84 84 GLU HA H 4.10 0.02 1 779 84 84 GLU HB2 H 2.10 0.02 2 780 84 84 GLU HB3 H 2.20 0.02 2 781 84 84 GLU C C 179.5 0.2 1 782 84 84 GLU CA C 59.0 0.2 1 783 84 84 GLU CB C 29.6 0.2 1 784 84 84 GLU CG C 36.6 0.2 1 785 84 84 GLU N N 120.3 0.2 1 786 85 85 ILE H H 8.12 0.02 1 787 85 85 ILE HA H 3.80 0.02 1 788 85 85 ILE HB H 2.03 0.02 1 789 85 85 ILE HG2 H 0.90 0.02 1 790 85 85 ILE HD1 H 0.83 0.02 1 791 85 85 ILE C C 177.7 0.2 1 792 85 85 ILE CA C 64.6 0.2 1 793 85 85 ILE CB C 37.1 0.2 1 794 85 85 ILE CG1 C 26.9 0.2 1 795 85 85 ILE CG2 C 18.5 0.2 1 796 85 85 ILE CD1 C 13.5 0.2 1 797 85 85 ILE N N 123.0 0.2 1 798 86 86 ARG H H 8.44 0.02 1 799 86 86 ARG HA H 4.00 0.02 1 800 86 86 ARG HB2 H 1.86 0.02 2 801 86 86 ARG HB3 H 2.01 0.02 2 802 86 86 ARG HG2 H 1.71 0.02 2 803 86 86 ARG HG3 H 1.56 0.02 2 804 86 86 ARG C C 179.3 0.2 1 805 86 86 ARG CA C 60.0 0.2 1 806 86 86 ARG CB C 29.8 0.2 1 807 86 86 ARG CG C 27.7 0.2 1 808 86 86 ARG CD C 43.1 0.2 1 809 86 86 ARG N N 122.2 0.2 1 810 87 87 GLU H H 7.99 0.02 1 811 87 87 GLU HA H 4.20 0.02 1 812 87 87 GLU HB2 H 2.11 0.02 1 813 87 87 GLU C C 178.1 0.2 1 814 87 87 GLU CA C 58.6 0.2 1 815 87 87 GLU CB C 28.9 0.2 1 816 87 87 GLU CG C 35.6 0.2 1 817 87 87 GLU N N 120.0 0.2 1 818 88 88 ALA H H 7.84 0.02 1 819 88 88 ALA HA H 3.95 0.02 1 820 88 88 ALA HB H 1.39 0.02 1 821 88 88 ALA C C 179.0 0.2 1 822 88 88 ALA CA C 54.9 0.2 1 823 88 88 ALA CB C 17.7 0.2 1 824 88 88 ALA N N 123.2 0.2 1 825 89 89 PHE H H 8.65 0.02 1 826 89 89 PHE HA H 3.87 0.02 1 827 89 89 PHE HB2 H 3.19 0.02 2 828 89 89 PHE HB3 H 3.28 0.02 2 829 89 89 PHE C C 176.4 0.2 1 830 89 89 PHE CA C 62.3 0.2 1 831 89 89 PHE CB C 39.2 0.2 1 832 89 89 PHE CD1 C 132.2 0.2 1 833 89 89 PHE N N 118.5 0.2 1 834 90 90 ARG H H 7.75 0.02 1 835 90 90 ARG HA H 4.02 0.02 1 836 90 90 ARG HG2 H 1.83 0.02 2 837 90 90 ARG HG3 H 1.66 0.02 2 838 90 90 ARG C C 178.7 0.2 1 839 90 90 ARG CA C 59.1 0.2 1 840 90 90 ARG CB C 30.2 0.2 1 841 90 90 ARG CG C 27.6 0.2 1 842 90 90 ARG CD C 43.4 0.2 1 843 90 90 ARG N N 117.1 0.2 1 844 91 91 VAL H H 7.65 0.02 1 845 91 91 VAL HA H 3.56 0.02 1 846 91 91 VAL HB H 1.96 0.02 1 847 91 91 VAL HG1 H 0.92 0.02 1 848 91 91 VAL HG2 H 0.64 0.02 1 849 91 91 VAL C C 177.7 0.2 1 850 91 91 VAL CA C 65.3 0.2 1 851 91 91 VAL CB C 31.4 0.2 1 852 91 91 VAL CG1 C 22.4 0.2 1 853 91 91 VAL CG2 C 20.9 0.2 1 854 91 91 VAL N N 119.2 0.2 1 855 92 92 PHE H H 8.04 0.02 1 856 92 92 PHE HA H 4.44 0.02 1 857 92 92 PHE HB2 H 2.83 0.02 2 858 92 92 PHE HB3 H 2.99 0.02 2 859 92 92 PHE C C 177.2 0.2 1 860 92 92 PHE CA C 58.9 0.2 1 861 92 92 PHE CB C 39.1 0.2 1 862 92 92 PHE CD1 C 131.6 0.2 1 863 92 92 PHE N N 117.7 0.2 1 864 93 93 ASP H H 8.02 0.02 1 865 93 93 ASP HA H 4.70 0.02 1 866 93 93 ASP HB2 H 2.68 0.02 2 867 93 93 ASP HB3 H 1.82 0.02 2 868 93 93 ASP C C 177.7 0.2 1 869 93 93 ASP CA C 52.5 0.2 1 870 93 93 ASP CB C 38.2 0.2 1 871 93 93 ASP N N 118.7 0.2 1 872 94 94 LYS H H 7.80 0.02 1 873 94 94 LYS HA H 3.98 0.02 1 874 94 94 LYS HD2 H 1.61 0.02 2 875 94 94 LYS HD3 H 1.52 0.02 2 876 94 94 LYS C C 178.2 0.2 1 877 94 94 LYS CA C 59.1 0.2 1 878 94 94 LYS CB C 32.8 0.2 1 879 94 94 LYS CG C 28.5 0.2 1 880 94 94 LYS CD C 24.6 0.2 1 881 94 94 LYS CE C 41.8 0.2 1 882 94 94 LYS N N 127.5 0.2 1 883 95 95 ASP H H 8.26 0.02 1 884 95 95 ASP HA H 4.61 0.02 1 885 95 95 ASP HB2 H 3.11 0.02 2 886 95 95 ASP HB3 H 2.68 0.02 2 887 95 95 ASP C C 177.8 0.2 1 888 95 95 ASP CA C 52.9 0.2 1 889 95 95 ASP CB C 39.6 0.2 1 890 95 95 ASP N N 115.1 0.2 1 891 96 96 GLY H H 7.83 0.02 1 892 96 96 GLY HA2 H 3.89 0.02 2 893 96 96 GLY HA3 H 3.84 0.02 2 894 96 96 GLY C C 175.1 0.2 1 895 96 96 GLY CA C 47.2 0.2 1 896 96 96 GLY N N 110.3 0.2 1 897 97 97 ASN H H 8.32 0.02 1 898 97 97 ASN HA H 4.70 0.02 1 899 97 97 ASN HB2 H 3.43 0.02 2 900 97 97 ASN HB3 H 2.69 0.02 2 901 97 97 ASN HD21 H 8.15 0.02 1 902 97 97 ASN HD22 H 7.36 0.02 1 903 97 97 ASN C C 176.2 0.2 1 904 97 97 ASN CA C 52.8 0.2 1 905 97 97 ASN CB C 38.2 0.2 1 906 97 97 ASN N N 120.2 0.2 1 907 97 97 ASN ND2 N 117.5 0.2 1 908 98 98 GLY H H 10.58 0.02 1 909 98 98 GLY HA2 H 4.04 0.02 2 910 98 98 GLY HA3 H 3.41 0.02 2 911 98 98 GLY C C 172.5 0.2 1 912 98 98 GLY CA C 45.2 0.2 1 913 98 98 GLY N N 114.0 0.2 1 914 99 99 TYR H H 7.70 0.02 1 915 99 99 TYR HA H 5.05 0.02 1 916 99 99 TYR HB2 H 2.49 0.02 2 917 99 99 TYR HB3 H 2.64 0.02 2 918 99 99 TYR C C 174.4 0.2 1 919 99 99 TYR CA C 56.3 0.2 1 920 99 99 TYR CB C 43.3 0.2 1 921 99 99 TYR CD1 C 134.0 0.2 1 922 99 99 TYR CE1 C 118.8 0.2 1 923 99 99 TYR N N 117.4 0.2 1 924 100 100 ILE H H 10.01 0.02 1 925 100 100 ILE HA H 4.99 0.02 1 926 100 100 ILE HB H 1.97 0.02 1 927 100 100 ILE HG2 H 0.87 0.02 1 928 100 100 ILE HD1 H 0.61 0.02 1 929 100 100 ILE C C 175.5 0.2 1 930 100 100 ILE CA C 59.4 0.2 1 931 100 100 ILE CB C 37.8 0.2 1 932 100 100 ILE CG1 C 27.0 0.2 1 933 100 100 ILE CG2 C 17.8 0.2 1 934 100 100 ILE CD1 C 14.0 0.2 1 935 100 100 ILE N N 128.3 0.2 1 936 101 101 SER H H 9.06 0.02 1 937 101 101 SER HA H 4.75 0.02 1 938 101 101 SER HB2 H 4.42 0.02 2 939 101 101 SER HB3 H 4.03 0.02 2 940 101 101 SER C C 175.1 0.2 1 941 101 101 SER CA C 56.2 0.2 1 942 101 101 SER CB C 66.3 0.2 1 943 101 101 SER N N 125.0 0.2 1 944 102 102 ALA H H 9.20 0.02 1 945 102 102 ALA HA H 3.90 0.02 1 946 102 102 ALA HB H 1.46 0.02 1 947 102 102 ALA C C 179.4 0.2 1 948 102 102 ALA CA C 56.0 0.2 1 949 102 102 ALA CB C 17.9 0.2 1 950 102 102 ALA N N 124.1 0.2 1 951 103 103 ALA H H 8.27 0.02 1 952 103 103 ALA HA H 4.02 0.02 1 953 103 103 ALA HB H 1.43 0.02 1 954 103 103 ALA C C 181.3 0.2 1 955 103 103 ALA CA C 55.1 0.2 1 956 103 103 ALA CB C 18.4 0.2 1 957 103 103 ALA N N 119.5 0.2 1 958 104 104 GLU H H 7.84 0.02 1 959 104 104 GLU HA H 4.13 0.02 1 960 104 104 GLU HB2 H 2.57 0.02 2 961 104 104 GLU HB3 H 2.45 0.02 2 962 104 104 GLU C C 179.6 0.2 1 963 104 104 GLU CA C 59.2 0.2 1 964 104 104 GLU CB C 29.2 0.2 1 965 104 104 GLU CG C 37.6 0.2 1 966 104 104 GLU N N 120.4 0.2 1 967 105 105 LEU H H 8.70 0.02 1 968 105 105 LEU HA H 3.96 0.02 1 969 105 105 LEU HB2 H 1.51 0.02 2 970 105 105 LEU HB3 H 1.79 0.02 2 971 105 105 LEU HD1 H 0.69 0.02 1 972 105 105 LEU HD2 H 0.75 0.02 1 973 105 105 LEU C C 178.5 0.2 1 974 105 105 LEU CA C 57.7 0.2 1 975 105 105 LEU CB C 41.9 0.2 1 976 105 105 LEU CD1 C 23.9 0.2 1 977 105 105 LEU CD2 C 25.6 0.2 1 978 105 105 LEU N N 122.7 0.2 1 979 106 106 ARG H H 8.41 0.02 1 980 106 106 ARG HA H 3.80 0.02 1 981 106 106 ARG HG2 H 1.58 0.02 2 982 106 106 ARG HG3 H 1.69 0.02 2 983 106 106 ARG HD2 H 3.23 0.02 2 984 106 106 ARG HD3 H 3.13 0.02 2 985 106 106 ARG C C 178.6 0.2 1 986 106 106 ARG CA C 59.7 0.2 1 987 106 106 ARG CB C 30.2 0.2 1 988 106 106 ARG CG C 27.7 0.2 1 989 106 106 ARG CD C 43.6 0.2 1 990 106 106 ARG N N 118.8 0.2 1 991 107 107 HIS H H 7.70 0.02 1 992 107 107 HIS HA H 4.36 0.02 1 993 107 107 HIS HD2 H 7.11 0.02 1 994 107 107 HIS HE1 H 7.95 0.02 1 995 107 107 HIS C C 177.3 0.2 1 996 107 107 HIS CA C 59.1 0.2 1 997 107 107 HIS CB C 30.5 0.2 1 998 107 107 HIS CE1 C 139.3 0.2 1 999 107 107 HIS N N 119.0 0.2 1 1000 108 108 VAL H H 7.80 0.02 1 1001 108 108 VAL HA H 3.50 0.02 1 1002 108 108 VAL HB H 2.12 0.02 1 1003 108 108 VAL HG1 H 0.89 0.02 1 1004 108 108 VAL HG2 H 0.62 0.02 1 1005 108 108 VAL C C 177.7 0.2 1 1006 108 108 VAL CA C 65.7 0.2 1 1007 108 108 VAL CB C 32.0 0.2 1 1008 108 108 VAL CG1 C 22.8 0.2 1 1009 108 108 VAL CG2 C 20.9 0.2 1 1010 108 108 VAL N N 120.1 0.2 1 1011 109 109 MET H H 8.25 0.02 1 1012 109 109 MET HA H 4.40 0.02 1 1013 109 109 MET C C 178.4 0.2 1 1014 109 109 MET CA C 57.0 0.2 1 1015 109 109 MET CB C 31.6 0.2 1 1016 109 109 MET CG C 32.6 0.2 1 1017 109 109 MET N N 117.8 0.2 1 1018 110 110 THR H H 8.18 0.02 1 1019 110 110 THR HA H 4.21 0.02 1 1020 110 110 THR HB H 4.29 0.02 1 1021 110 110 THR HG2 H 1.24 0.02 1 1022 110 110 THR C C 177.2 0.2 1 1023 110 110 THR CA C 65.1 0.2 1 1024 110 110 THR CB C 69.2 0.2 1 1025 110 110 THR CG2 C 21.6 0.2 1 1026 110 110 THR N N 115.9 0.2 1 1027 111 111 ASN H H 8.06 0.02 1 1028 111 111 ASN HA H 4.55 0.02 1 1029 111 111 ASN C C 176.1 0.2 1 1030 111 111 ASN CA C 55.4 0.2 1 1031 111 111 ASN CB C 38.8 0.2 1 1032 111 111 ASN N N 122.9 0.2 1 1033 112 112 LEU HA H 4.33 0.02 1 1034 112 112 LEU HB3 H 1.78 0.02 1 1035 112 112 LEU HD1 H 0.84 0.02 1 1036 112 112 LEU HD2 H 0.80 0.02 1 1037 112 112 LEU C C 177.3 0.2 1 1038 112 112 LEU CA C 55.4 0.2 1 1039 112 112 LEU CB C 41.9 0.2 1 1040 112 112 LEU CD1 C 25.4 0.2 1 1041 112 112 LEU CD2 C 22.8 0.2 1 1042 113 113 GLY H H 7.97 0.02 1 1043 113 113 GLY HA2 H 3.80 0.02 2 1044 113 113 GLY HA3 H 4.23 0.02 2 1045 113 113 GLY C C 174.3 0.2 1 1046 113 113 GLY CA C 45.5 0.2 1 1047 113 113 GLY N N 108.4 0.2 1 1048 114 114 GLU H H 7.97 0.02 1 1049 114 114 GLU HA H 4.43 0.02 1 1050 114 114 GLU HB2 H 1.75 0.02 2 1051 114 114 GLU HB3 H 1.98 0.02 2 1052 114 114 GLU HG2 H 2.13 0.02 2 1053 114 114 GLU HG3 H 2.23 0.02 2 1054 114 114 GLU C C 175.7 0.2 1 1055 114 114 GLU CA C 55.4 0.2 1 1056 114 114 GLU CB C 30.7 0.2 1 1057 114 114 GLU CG C 35.5 0.2 1 1058 114 114 GLU N N 121.4 0.2 1 1059 115 115 LYS H H 8.60 0.02 1 1060 115 115 LYS HA H 4.40 0.02 1 1061 115 115 LYS HB2 H 1.80 0.02 2 1062 115 115 LYS HB3 H 1.70 0.02 2 1063 115 115 LYS HD2 H 1.34 0.02 2 1064 115 115 LYS HD3 H 1.40 0.02 2 1065 115 115 LYS C C 175.8 0.2 1 1066 115 115 LYS CA C 55.7 0.2 1 1067 115 115 LYS CB C 32.3 0.2 1 1068 115 115 LYS CG C 29.0 0.2 1 1069 115 115 LYS CD C 24.6 0.2 1 1070 115 115 LYS CE C 42.1 0.2 1 1071 115 115 LYS N N 124.7 0.2 1 1072 116 116 LEU H H 8.19 0.02 1 1073 116 116 LEU HA H 4.74 0.02 1 1074 116 116 LEU HB2 H 1.48 0.02 2 1075 116 116 LEU HB3 H 1.57 0.02 2 1076 116 116 LEU HD1 H 0.79 0.02 1 1077 116 116 LEU HD2 H 0.80 0.02 1 1078 116 116 LEU C C 178.1 0.2 1 1079 116 116 LEU CA C 54.2 0.2 1 1080 116 116 LEU CB C 44.6 0.2 1 1081 116 116 LEU CD1 C 26.5 0.2 1 1082 116 116 LEU CD2 C 23.8 0.2 1 1083 116 116 LEU N N 125.9 0.2 1 1084 117 117 THR H H 9.22 0.02 1 1085 117 117 THR HA H 4.46 0.02 1 1086 117 117 THR HB H 4.74 0.02 1 1087 117 117 THR HG2 H 1.34 0.02 1 1088 117 117 THR C C 175.5 0.2 1 1089 117 117 THR CA C 60.6 0.2 1 1090 117 117 THR CB C 71.1 0.2 1 1091 117 117 THR CG2 C 21.8 0.2 1 1092 117 117 THR N N 115.9 0.2 1 1093 118 118 ASP H H 8.94 0.02 1 1094 118 118 ASP HA H 4.19 0.02 1 1095 118 118 ASP HB2 H 2.74 0.02 2 1096 118 118 ASP HB3 H 2.59 0.02 2 1097 118 118 ASP C C 178.6 0.2 1 1098 118 118 ASP CA C 58.0 0.2 1 1099 118 118 ASP CB C 39.5 0.2 1 1100 118 118 ASP N N 122.3 0.2 1 1101 119 119 GLU H H 8.72 0.02 1 1102 119 119 GLU HA H 4.09 0.02 1 1103 119 119 GLU HB2 H 1.95 0.02 2 1104 119 119 GLU HB3 H 2.06 0.02 2 1105 119 119 GLU HG2 H 2.33 0.02 2 1106 119 119 GLU HG3 H 2.40 0.02 2 1107 119 119 GLU C C 179.3 0.2 1 1108 119 119 GLU CA C 60.0 0.2 1 1109 119 119 GLU CB C 28.7 0.2 1 1110 119 119 GLU CG C 36.8 0.2 1 1111 119 119 GLU N N 120.3 0.2 1 1112 120 120 GLU H H 7.80 0.02 1 1113 120 120 GLU HA H 4.01 0.02 1 1114 120 120 GLU HB2 H 2.41 0.02 2 1115 120 120 GLU HB3 H 1.94 0.02 2 1116 120 120 GLU HG2 H 2.26 0.02 2 1117 120 120 GLU HG3 H 2.37 0.02 2 1118 120 120 GLU C C 180.1 0.2 1 1119 120 120 GLU CA C 59.2 0.2 1 1120 120 120 GLU CB C 30.1 0.2 1 1121 120 120 GLU CG C 37.8 0.2 1 1122 120 120 GLU N N 121.7 0.2 1 1123 121 121 VAL H H 8.17 0.02 1 1124 121 121 VAL HA H 3.59 0.02 1 1125 121 121 VAL HB H 2.21 0.02 1 1126 121 121 VAL HG1 H 0.94 0.02 1 1127 121 121 VAL HG2 H 0.99 0.02 1 1128 121 121 VAL C C 177.3 0.2 1 1129 121 121 VAL CA C 67.0 0.2 1 1130 121 121 VAL CB C 31.3 0.2 1 1131 121 121 VAL CG1 C 23.7 0.2 1 1132 121 121 VAL CG2 C 22.2 0.2 1 1133 121 121 VAL N N 122.7 0.2 1 1134 122 122 ASP H H 8.07 0.02 1 1135 122 122 ASP HA H 4.32 0.02 1 1136 122 122 ASP HB2 H 2.76 0.02 2 1137 122 122 ASP HB3 H 2.62 0.02 2 1138 122 122 ASP C C 179.3 0.2 1 1139 122 122 ASP CA C 57.6 0.2 1 1140 122 122 ASP CB C 40.4 0.2 1 1141 122 122 ASP N N 121.0 0.2 1 1142 123 123 GLU H H 7.98 0.02 1 1143 123 123 GLU HA H 4.00 0.02 1 1144 123 123 GLU HB2 H 2.08 0.02 1 1145 123 123 GLU HG2 H 2.29 0.02 2 1146 123 123 GLU HG3 H 2.35 0.02 2 1147 123 123 GLU C C 178.0 0.2 1 1148 123 123 GLU CA C 58.9 0.2 1 1149 123 123 GLU CB C 29.2 0.2 1 1150 123 123 GLU CG C 35.8 0.2 1 1151 123 123 GLU N N 120.8 0.2 1 1152 124 124 MET H H 7.86 0.02 1 1153 124 124 MET HA H 4.07 0.02 1 1154 124 124 MET HB2 H 2.24 0.02 2 1155 124 124 MET HB3 H 2.04 0.02 2 1156 124 124 MET HG2 H 2.72 0.02 2 1157 124 124 MET HG3 H 2.42 0.02 2 1158 124 124 MET HE H 2.05 0.02 1 1159 124 124 MET C C 179.0 0.2 1 1160 124 124 MET CA C 59.4 0.2 1 1161 124 124 MET CB C 33.3 0.2 1 1162 124 124 MET CG C 32.4 0.2 1 1163 124 124 MET CE C 17.3 0.2 1 1164 124 124 MET N N 121.0 0.2 1 1165 125 125 ILE H H 8.04 0.02 1 1166 125 125 ILE HA H 3.46 0.02 1 1167 125 125 ILE HB H 2.06 0.02 1 1168 125 125 ILE HG12 H 1.56 0.02 2 1169 125 125 ILE HG13 H 1.16 0.02 2 1170 125 125 ILE HG2 H 0.75 0.02 1 1171 125 125 ILE HD1 H 0.72 0.02 1 1172 125 125 ILE C C 177.1 0.2 1 1173 125 125 ILE CA C 64.2 0.2 1 1174 125 125 ILE CB C 36.6 0.2 1 1175 125 125 ILE CG1 C 28.6 0.2 1 1176 125 125 ILE CG2 C 16.4 0.2 1 1177 125 125 ILE CD1 C 11.5 0.2 1 1178 125 125 ILE N N 119.7 0.2 1 1179 126 126 ARG H H 8.02 0.02 1 1180 126 126 ARG HA H 4.00 0.02 1 1181 126 126 ARG HG2 H 1.61 0.02 2 1182 126 126 ARG HG3 H 1.78 0.02 2 1183 126 126 ARG C C 179.5 0.2 1 1184 126 126 ARG CA C 59.6 0.2 1 1185 126 126 ARG CB C 30.1 0.2 1 1186 126 126 ARG CG C 27.6 0.2 1 1187 126 126 ARG CD C 43.4 0.2 1 1188 126 126 ARG N N 119.5 0.2 1 1189 127 127 GLU H H 8.01 0.02 1 1190 127 127 GLU HA H 4.00 0.02 1 1191 127 127 GLU HG2 H 2.44 0.02 2 1192 127 127 GLU HG3 H 2.29 0.02 2 1193 127 127 GLU C C 177.6 0.2 1 1194 127 127 GLU CA C 58.1 0.2 1 1195 127 127 GLU CB C 29.5 0.2 1 1196 127 127 GLU CG C 36.1 0.2 1 1197 127 127 GLU N N 117.7 0.2 1 1198 128 128 ALA H H 7.66 0.02 1 1199 128 128 ALA HA H 4.39 0.02 1 1200 128 128 ALA HB H 1.41 0.02 1 1201 128 128 ALA C C 178.0 0.2 1 1202 128 128 ALA CA C 52.3 0.2 1 1203 128 128 ALA CB C 20.7 0.2 1 1204 128 128 ALA N N 120.4 0.2 1 1205 129 129 ASP H H 7.80 0.02 1 1206 129 129 ASP HA H 4.53 0.02 1 1207 129 129 ASP HB2 H 2.88 0.02 2 1208 129 129 ASP HB3 H 2.49 0.02 2 1209 129 129 ASP C C 176.3 0.2 1 1210 129 129 ASP CA C 54.0 0.2 1 1211 129 129 ASP CB C 40.0 0.2 1 1212 129 129 ASP N N 118.0 0.2 1 1213 130 130 ILE H H 8.50 0.02 1 1214 130 130 ILE HA H 3.95 0.02 1 1215 130 130 ILE HB H 2.01 0.02 1 1216 130 130 ILE HG12 H 1.70 0.02 2 1217 130 130 ILE HG13 H 1.34 0.02 2 1218 130 130 ILE HG2 H 0.96 0.02 1 1219 130 130 ILE HD1 H 0.91 0.02 1 1220 130 130 ILE C C 177.9 0.2 1 1221 130 130 ILE CA C 63.3 0.2 1 1222 130 130 ILE CB C 38.7 0.2 1 1223 130 130 ILE CG1 C 27.8 0.2 1 1224 130 130 ILE CG2 C 17.4 0.2 1 1225 130 130 ILE CD1 C 12.5 0.2 1 1226 130 130 ILE N N 128.9 0.2 1 1227 131 131 ASP H H 8.27 0.02 1 1228 131 131 ASP HA H 4.56 0.02 1 1229 131 131 ASP HB2 H 3.08 0.02 2 1230 131 131 ASP HB3 H 2.68 0.02 2 1231 131 131 ASP C C 178.3 0.2 1 1232 131 131 ASP CA C 53.7 0.2 1 1233 131 131 ASP CB C 39.8 0.2 1 1234 131 131 ASP N N 117.9 0.2 1 1235 132 132 GLY H H 7.63 0.02 1 1236 132 132 GLY HA2 H 3.83 0.02 2 1237 132 132 GLY HA3 H 3.98 0.02 2 1238 132 132 GLY C C 175.3 0.2 1 1239 132 132 GLY CA C 47.3 0.2 1 1240 132 132 GLY N N 109.7 0.2 1 1241 133 133 ASP H H 8.35 0.02 1 1242 133 133 ASP HA H 4.48 0.02 1 1243 133 133 ASP HB2 H 2.96 0.02 2 1244 133 133 ASP HB3 H 2.53 0.02 2 1245 133 133 ASP C C 177.6 0.2 1 1246 133 133 ASP CA C 53.6 0.2 1 1247 133 133 ASP CB C 40.1 0.2 1 1248 133 133 ASP N N 121.8 0.2 1 1249 134 134 GLY H H 10.34 0.02 1 1250 134 134 GLY HA2 H 3.46 0.02 2 1251 134 134 GLY HA3 H 4.04 0.02 2 1252 134 134 GLY C C 173.0 0.2 1 1253 134 134 GLY CA C 45.7 0.2 1 1254 134 134 GLY N N 114.2 0.2 1 1255 135 135 GLN H H 8.01 0.02 1 1256 135 135 GLN HA H 4.79 0.02 1 1257 135 135 GLN HB2 H 1.66 0.02 2 1258 135 135 GLN HB3 H 1.88 0.02 2 1259 135 135 GLN HE21 H 6.61 0.02 1 1260 135 135 GLN HE22 H 6.00 0.02 1 1261 135 135 GLN C C 174.7 0.2 1 1262 135 135 GLN CA C 53.1 0.2 1 1263 135 135 GLN CB C 33.1 0.2 1 1264 135 135 GLN N N 117.3 0.2 1 1265 135 135 GLN NE2 N 110.3 0.2 1 1266 136 136 VAL H H 9.26 0.02 1 1267 136 136 VAL HA H 5.11 0.02 1 1268 136 136 VAL HB H 2.23 0.02 1 1269 136 136 VAL HG1 H 1.06 0.02 1 1270 136 136 VAL HG2 H 0.84 0.02 1 1271 136 136 VAL C C 175.7 0.2 1 1272 136 136 VAL CA C 61.6 0.2 1 1273 136 136 VAL CB C 33.6 0.2 1 1274 136 136 VAL CG1 C 22.1 0.2 1 1275 136 136 VAL CG2 C 22.7 0.2 1 1276 136 136 VAL N N 126.6 0.2 1 1277 137 137 ASN H H 9.49 0.02 1 1278 137 137 ASN HA H 5.21 0.02 1 1279 137 137 ASN HB2 H 3.35 0.02 2 1280 137 137 ASN HB3 H 3.12 0.02 2 1281 137 137 ASN HD21 H 7.26 0.02 1 1282 137 137 ASN HD22 H 6.85 0.02 1 1283 137 137 ASN C C 175.0 0.2 1 1284 137 137 ASN CA C 51.0 0.2 1 1285 137 137 ASN CB C 38.2 0.2 1 1286 137 137 ASN N N 129.8 0.2 1 1287 137 137 ASN ND2 N 109.8 0.2 1 1288 138 138 TYR H H 8.34 0.02 1 1289 138 138 TYR HA H 3.65 0.02 1 1290 138 138 TYR HB2 H 2.41 0.02 2 1291 138 138 TYR HB3 H 2.04 0.02 2 1292 138 138 TYR C C 176.2 0.2 1 1293 138 138 TYR CA C 62.4 0.2 1 1294 138 138 TYR CB C 37.3 0.2 1 1295 138 138 TYR CD1 C 132.8 0.2 1 1296 138 138 TYR CE1 C 118.6 0.2 1 1297 138 138 TYR N N 119.7 0.2 1 1298 139 139 GLU H H 8.21 0.02 1 1299 139 139 GLU HA H 3.64 0.02 1 1300 139 139 GLU HB2 H 2.10 0.02 2 1301 139 139 GLU HB3 H 1.98 0.02 2 1302 139 139 GLU HG2 H 2.41 0.02 2 1303 139 139 GLU HG3 H 2.30 0.02 2 1304 139 139 GLU C C 180.3 0.2 1 1305 139 139 GLU CA C 60.1 0.2 1 1306 139 139 GLU CB C 28.7 0.2 1 1307 139 139 GLU CG C 37.0 0.2 1 1308 139 139 GLU N N 119.4 0.2 1 1309 140 140 GLU H H 8.67 0.02 1 1310 140 140 GLU HA H 4.07 0.02 1 1311 140 140 GLU HB2 H 2.57 0.02 2 1312 140 140 GLU HB3 H 2.21 0.02 2 1313 140 140 GLU C C 179.8 0.2 1 1314 140 140 GLU CA C 58.7 0.2 1 1315 140 140 GLU CB C 29.1 0.2 1 1316 140 140 GLU CG C 37.3 0.2 1 1317 140 140 GLU N N 121.1 0.2 1 1318 141 141 LEU H H 8.51 0.02 1 1319 141 141 LEU HA H 4.05 0.02 1 1320 141 141 LEU HB2 H 2.09 0.02 2 1321 141 141 LEU HB3 H 1.48 0.02 2 1322 141 141 LEU HD1 H 1.04 0.02 1 1323 141 141 LEU HD2 H 0.88 0.02 1 1324 141 141 LEU C C 178.8 0.2 1 1325 141 141 LEU CA C 58.1 0.2 1 1326 141 141 LEU CB C 41.0 0.2 1 1327 141 141 LEU CD1 C 26.9 0.2 1 1328 141 141 LEU CD2 C 23.3 0.2 1 1329 141 141 LEU N N 125.4 0.2 1 1330 142 142 VAL H H 8.45 0.02 1 1331 142 142 VAL HA H 3.37 0.02 1 1332 142 142 VAL HB H 1.98 0.02 1 1333 142 142 VAL HG1 H 0.56 0.02 1 1334 142 142 VAL HG2 H 0.78 0.02 1 1335 142 142 VAL C C 179.7 0.2 1 1336 142 142 VAL CA C 67.0 0.2 1 1337 142 142 VAL CB C 31.5 0.2 1 1338 142 142 VAL CG1 C 23.1 0.2 1 1339 142 142 VAL CG2 C 21.3 0.2 1 1340 142 142 VAL N N 120.3 0.2 1 1341 143 143 GLN H H 7.77 0.02 1 1342 143 143 GLN HA H 3.94 0.02 1 1343 143 143 GLN C C 178.1 0.2 1 1344 143 143 GLN CA C 58.9 0.2 1 1345 143 143 GLN CB C 28.0 0.2 1 1346 143 143 GLN CG C 33.9 0.2 1 1347 143 143 GLN N N 119.7 0.2 1 1348 144 144 MET H H 7.95 0.02 1 1349 144 144 MET HA H 4.21 0.02 1 1350 144 144 MET HB3 H 2.24 0.02 1 1351 144 144 MET HG2 H 2.48 0.02 2 1352 144 144 MET HG3 H 2.66 0.02 2 1353 144 144 MET C C 178.4 0.2 1 1354 144 144 MET CA C 58.7 0.2 1 1355 144 144 MET CB C 33.9 0.2 1 1356 144 144 MET CG C 31.6 0.2 1 1357 144 144 MET N N 120.1 0.2 1 1358 145 145 MET H H 8.30 0.02 1 1359 145 145 MET HA H 4.37 0.02 1 1360 145 145 MET HE H 2.06 0.02 1 1361 145 145 MET C C 177.2 0.2 1 1362 145 145 MET CA C 57.3 0.2 1 1363 145 145 MET CB C 33.1 0.2 1 1364 145 145 MET CE C 17.3 0.2 1 1365 145 145 MET N N 116.2 0.2 1 1366 146 146 THR H H 7.74 0.02 1 1367 146 146 THR HA H 4.39 0.02 1 1368 146 146 THR HB H 4.30 0.02 1 1369 146 146 THR HG2 H 1.24 0.02 1 1370 146 146 THR C C 174.3 0.2 1 1371 146 146 THR CA C 62.7 0.2 1 1372 146 146 THR CB C 70.2 0.2 1 1373 146 146 THR CG2 C 21.3 0.2 1 1374 146 146 THR N N 112.6 0.2 1 1375 147 147 ALA H H 7.85 0.02 1 1376 147 147 ALA HA H 4.35 0.02 1 1377 147 147 ALA HB H 1.46 0.02 1 1378 147 147 ALA C C 176.8 0.2 1 1379 147 147 ALA CA C 52.9 0.2 1 1380 147 147 ALA CB C 19.0 0.2 1 1381 147 147 ALA N N 128.1 0.2 1 1382 148 148 LYS H H 7.86 0.02 1 1383 148 148 LYS HA H 4.17 0.02 1 1384 148 148 LYS HB2 H 1.73 0.02 2 1385 148 148 LYS HB3 H 1.86 0.02 2 1386 148 148 LYS HD2 H 1.43 0.02 1 1387 148 148 LYS HE2 H 3.02 0.02 1 1388 148 148 LYS C C 181.6 0.2 1 1389 148 148 LYS CA C 57.5 0.2 1 1390 148 148 LYS CB C 33.7 0.2 1 1391 148 148 LYS CD C 24.7 0.2 1 1392 148 148 LYS N N 127.0 0.2 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Sz _T1_value_units s _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 GLN N 0.93 0.25 2 4 LEU N 0.83 0.05 3 5 THR N 0.81 0.06 4 6 GLU N 0.83 0.13 5 7 GLU N 0.79 0.06 6 8 GLN N 0.78 0.08 7 9 ILE N 0.80 0.09 8 10 ALA N 0.75 0.03 9 11 GLU N 0.74 0.01 10 12 PHE N 0.74 0.05 11 13 LYS N 0.74 0.05 12 14 GLU N 0.74 0.02 13 15 ALA N 0.78 0.03 14 16 PHE N 0.77 0.07 15 17 SER N 0.80 0.09 16 18 LEU N 0.80 0.04 17 19 PHE N 0.79 0.05 18 20 ASP N 0.79 0.03 19 21 LYS N 0.78 0.06 20 22 ASP N 0.73 0.03 21 23 GLY N 0.73 0.05 22 24 ASP N 0.74 0.05 23 25 GLY N 0.74 0.04 24 26 THR N 0.78 0.11 25 27 ILE N 0.82 0.11 26 28 THR N 0.74 0.09 27 29 THR N 0.79 0.12 28 30 LYS N 0.78 0.11 29 31 GLU N 0.74 0.03 30 32 LEU N 0.74 0.06 31 33 GLY N 0.78 0.12 32 34 THR N 0.78 0.09 33 35 VAL N 0.70 0.04 34 36 MET N 0.74 0.05 35 37 ARG N 0.74 0.07 36 38 SER N 0.74 0.04 37 39 LEU N 0.79 0.14 38 40 GLY N 0.85 0.10 39 41 GLN N 0.75 0.04 40 42 ASN N 1.07 0.41 41 44 THR N 0.81 0.05 42 45 GLU N 0.76 0.06 43 46 ALA N 0.75 0.09 44 47 GLU N 0.75 0.07 45 48 LEU N 0.75 0.06 46 49 GLN N 0.74 0.05 47 50 ASP N 0.73 0.02 48 51 MET N 0.74 0.04 49 52 ILE N 0.74 0.03 50 53 ASN N 0.72 0.02 51 54 GLU N 0.73 0.03 52 55 VAL N 0.74 0.05 53 56 ASP N 0.77 0.04 54 57 ALA N 0.99 0.07 55 58 ASP N 0.70 0.02 56 59 GLY N 0.80 0.03 57 60 ASN N 0.74 0.03 58 61 GLY N 0.80 0.06 59 62 THR N 0.74 0.05 60 63 ILE N 0.74 0.05 61 64 ASP N 0.76 0.03 62 65 PHE N 0.80 0.06 63 67 GLU N 0.78 0.05 64 68 PHE N 0.77 0.03 65 69 LEU N 0.75 0.05 66 70 THR N 0.84 0.08 67 71 MET N 0.76 0.03 68 72 MET N 0.72 0.08 69 73 ALA N 0.82 0.06 70 74 ARG N 0.80 0.04 71 75 LYS N 0.75 0.05 72 76 MET N 0.74 0.07 73 77 LYS N 0.77 0.07 74 78 ASP N 0.81 0.15 75 79 THR N 0.82 0.18 76 80 ASP N 0.80 0.16 77 81 SER N 0.84 0.19 78 82 GLU N 0.81 0.19 79 83 GLU N 0.86 0.14 80 84 GLU N 0.73 0.07 81 85 ILE N 0.73 0.06 82 86 ARG N 0.75 0.06 83 87 GLU N 0.72 0.07 84 88 ALA N 0.72 0.02 85 89 PHE N 0.73 0.05 86 90 ARG N 0.76 0.07 87 91 VAL N 0.73 0.03 88 92 PHE N 0.69 0.04 89 93 ASP N 0.80 0.06 90 94 LYS N 0.75 0.10 91 95 ASP N 0.70 0.04 92 96 GLY N 0.70 0.05 93 97 ASN N 0.72 0.05 94 98 GLY N 0.71 0.06 95 99 TYR N 0.70 0.05 96 100 ILE N 0.75 0.04 97 101 SER N 0.72 0.12 98 102 ALA N 0.72 0.08 99 103 ALA N 0.73 0.06 100 104 GLU N 0.74 0.06 101 105 LEU N 0.71 0.06 102 106 ARG N 0.65 0.11 103 107 HIS N 0.68 0.07 104 108 VAL N 0.74 0.06 105 109 MET N 0.67 0.03 106 110 THR N 0.78 0.18 107 111 ASN N 0.73 0.10 108 113 GLY N 0.71 0.09 109 114 GLU N 0.72 0.12 110 115 LYS N 0.80 0.11 111 116 LEU N 0.77 0.03 112 117 THR N 0.76 0.11 113 118 ASP N 0.79 0.16 114 119 GLU N 0.74 0.08 115 120 GLU N 0.76 0.09 116 121 VAL N 0.71 0.04 117 122 ASP N 0.72 0.05 118 123 GLU N 0.71 0.07 119 124 MET N 0.73 0.01 120 125 ILE N 0.71 0.03 121 126 ARG N 0.72 0.04 122 127 GLU N 0.72 0.04 123 128 ALA N 0.68 0.02 124 129 ASP N 0.74 0.07 125 130 ILE N 0.96 0.06 126 131 ASP N 0.70 0.04 127 132 GLY N 0.78 0.04 128 133 ASP N 0.75 0.07 129 134 GLY N 0.71 0.02 130 135 GLN N 0.69 0.05 131 136 VAL N 0.72 0.04 132 137 ASN N 0.72 0.06 133 138 TYR N 0.69 0.06 134 139 GLU N 0.71 0.04 135 140 GLU N 0.69 0.05 136 141 LEU N 0.65 0.11 137 142 VAL N 0.70 0.05 138 143 GLN N 0.71 0.03 139 144 MET N 0.74 0.07 140 145 MET N 0.69 0.05 141 146 THR N 0.76 0.13 142 147 ALA N 0.70 0.05 143 148 LYS N 0.79 0.03 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type S(+,-) _T2_value_units s _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 GLN N 0.22 0.01 . . 2 4 LEU N 0.13 0.00 . . 3 5 THR N 0.09 0.01 . . 4 6 GLU N 0.08 0.00 . . 5 7 GLU N 0.07 0.00 . . 6 8 GLN N 0.08 0.00 . . 7 9 ILE N 0.07 0.00 . . 8 10 ALA N 0.06 0.00 . . 9 11 GLU N 0.07 0.00 . . 10 12 PHE N 0.07 0.00 . . 11 13 LYS N 0.07 0.00 . . 12 14 GLU N 0.07 0.00 . . 13 15 ALA N 0.07 0.01 . . 14 16 PHE N 0.07 0.01 . . 15 17 SER N 0.07 0.00 . . 16 18 LEU N 0.06 0.00 . . 17 19 PHE N 0.07 0.01 . . 18 20 ASP N 0.07 0.00 . . 19 21 LYS N 0.08 0.00 . . 20 22 ASP N 0.08 0.00 . . 21 23 GLY N 0.07 0.00 . . 22 24 ASP N 0.08 0.00 . . 23 25 GLY N 0.09 0.00 . . 24 26 THR N 0.07 0.00 . . 25 27 ILE N 0.06 0.01 . . 26 28 THR N 0.07 0.01 . . 27 29 THR N 0.09 0.01 . . 28 30 LYS N 0.08 0.00 . . 29 31 GLU N 0.08 0.01 . . 30 32 LEU N 0.07 0.00 . . 31 33 GLY N 0.06 0.00 . . 32 34 THR N 0.08 0.00 . . 33 35 VAL N 0.08 0.00 . . 34 36 MET N 0.07 0.00 . . 35 37 ARG N 0.07 0.00 . . 36 38 SER N 0.07 0.00 . . 37 39 LEU N 0.04 0.01 . . 38 40 GLY N 0.06 0.01 . . 39 41 GLN N 0.08 0.00 . . 40 42 ASN N 0.09 0.00 . . 41 44 THR N 0.08 0.00 . . 42 45 GLU N 0.08 0.00 . . 43 46 ALA N 0.08 0.00 . . 44 47 GLU N 0.07 0.00 . . 45 48 LEU N 0.07 0.00 . . 46 49 GLN N 0.08 0.00 . . 47 50 ASP N 0.08 0.00 . . 48 51 MET N 0.07 0.00 . . 49 52 ILE N 0.07 0.00 . . 50 53 ASN N 0.08 0.00 . . 51 54 GLU N 0.08 0.00 . . 52 55 VAL N 0.08 0.04 . . 53 56 ASP N 0.08 0.00 . . 54 57 ALA N 0.09 0.00 . . 55 58 ASP N 0.09 0.00 . . 56 59 GLY N 0.07 0.01 . . 57 60 ASN N 0.07 0.00 . . 58 61 GLY N 0.08 0.00 . . 59 62 THR N 0.07 0.00 . . 60 63 ILE N 0.08 0.01 . . 61 64 ASP N 0.07 0.00 . . 62 65 PHE N 0.06 0.00 . . 63 67 GLU N 0.06 0.01 . . 64 68 PHE N 0.07 0.00 . . 65 69 LEU N 0.07 0.01 . . 66 70 THR N 0.07 0.00 . . 67 71 MET N 0.07 0.01 . . 68 72 MET N 0.06 0.00 . . 69 73 ALA N 0.07 0.00 . . 70 74 ARG N 0.07 0.00 . . 71 75 LYS N 0.06 0.01 . . 72 76 MET N 0.07 0.00 . . 73 77 LYS N 0.07 0.00 . . 74 78 ASP N 0.10 0.00 . . 75 79 THR N 0.08 0.00 . . 76 80 ASP N 0.11 0.00 . . 77 81 SER N 0.09 0.01 . . 78 82 GLU N 0.07 0.00 . . 79 83 GLU N 0.07 0.00 . . 80 84 GLU N 0.06 0.00 . . 81 85 ILE N 0.07 0.00 . . 82 86 ARG N 0.05 0.00 . . 83 87 GLU N 0.07 0.00 . . 84 88 ALA N 0.07 0.00 . . 85 89 PHE N 0.05 0.01 . . 86 90 ARG N 0.04 0.00 . . 87 91 VAL N 0.06 0.00 . . 88 92 PHE N 0.06 0.01 . . 89 93 ASP N 0.06 0.00 . . 90 94 LYS N 0.08 0.01 . . 91 95 ASP N 0.09 0.00 . . 92 96 GLY N 0.08 0.00 . . 93 97 ASN N 0.07 0.00 . . 94 98 GLY N 0.08 0.00 . . 95 99 TYR N 0.08 0.00 . . 96 100 ILE N 0.07 0.00 . . 97 101 SER N 0.07 0.00 . . 98 102 ALA N 0.08 0.00 . . 99 103 ALA N 0.08 0.00 . . 100 104 GLU N 0.07 0.00 . . 101 105 LEU N 0.07 0.00 . . 102 106 ARG N 0.07 0.01 . . 103 107 HIS N 0.05 0.01 . . 104 108 VAL N 0.06 0.00 . . 105 109 MET N 0.05 0.01 . . 106 110 THR N 0.07 0.01 . . 107 111 ASN N 0.06 0.01 . . 108 113 GLY N 0.04 0.00 . . 109 114 GLU N 0.08 0.00 . . 110 115 LYS N 0.10 0.00 . . 111 116 LEU N 0.11 0.00 . . 112 117 THR N 0.09 0.01 . . 113 118 ASP N 0.08 0.00 . . 114 119 GLU N 0.08 0.00 . . 115 120 GLU N 0.08 0.00 . . 116 121 VAL N 0.08 0.00 . . 117 122 ASP N 0.07 0.00 . . 118 123 GLU N 0.08 0.00 . . 119 124 MET N 0.07 0.00 . . 120 125 ILE N 0.07 0.00 . . 121 126 ARG N 0.07 0.00 . . 122 127 GLU N 0.07 0.00 . . 123 128 ALA N 0.07 0.00 . . 124 129 ASP N 0.06 0.00 . . 125 130 ILE N 0.08 0.01 . . 126 131 ASP N 0.07 0.00 . . 127 132 GLY N 0.07 0.00 . . 128 133 ASP N 0.07 0.00 . . 129 134 GLY N 0.08 0.00 . . 130 135 GLN N 0.07 0.00 . . 131 136 VAL N 0.08 0.00 . . 132 137 ASN N 0.07 0.01 . . 133 138 TYR N 0.06 0.00 . . 134 139 GLU N 0.07 0.00 . . 135 140 GLU N 0.08 0.00 . . 136 141 LEU N 0.07 0.01 . . 137 142 VAL N 0.07 0.00 . . 138 143 GLN N 0.07 0.01 . . 139 144 MET N 0.07 0.00 . . 140 145 MET N 0.08 0.00 . . 141 146 THR N 0.07 0.00 . . 142 147 ALA N 0.11 0.00 . . 143 148 LYS N 0.25 0.00 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label {1H}-15N-NOE stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name entity_1 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 GLN -0.25 0.01 4 LEU 0.24 0.01 5 THR 0.70 0.03 6 GLU 0.66 0.01 7 GLU 0.70 0.01 8 GLN 0.73 0.01 9 ILE 0.68 0.02 10 ALA 0.74 0.01 11 GLU 0.78 0.04 12 PHE 0.74 0.02 13 LYS 0.77 0.03 14 GLU 0.76 0.02 15 ALA 0.74 0.02 16 PHE 0.76 0.03 17 SER 0.76 0.02 18 LEU 0.76 0.02 19 PHE 0.82 0.04 20 ASP 0.74 0.03 21 LYS 0.67 0.02 22 ASP 0.75 0.02 23 GLY 0.75 0.01 24 ASP 0.76 0.01 25 GLY 0.77 0.02 26 THR 0.76 0.01 27 ILE 0.80 0.03 28 THR 0.81 0.04 29 THR 0.78 0.02 30 LYS 0.72 0.01 31 GLU 0.76 0.02 32 LEU 0.77 0.02 33 GLY 0.71 0.02 34 THR 0.73 0.02 35 VAL 0.73 0.02 36 MET 0.78 0.03 37 ARG 0.74 0.02 38 SER 0.70 0.01 39 LEU 0.77 0.04 40 GLY 0.67 0.02 41 GLN 0.72 0.02 42 ASN 0.56 0.02 44 THR 0.68 0.01 45 GLU 0.74 0.01 46 ALA 0.71 0.01 47 GLU 0.75 0.01 48 LEU 0.75 0.02 49 GLN 0.75 0.01 50 ASP 0.79 0.01 51 MET 0.77 0.01 52 ILE 0.76 0.02 53 ASN 0.76 0.01 54 GLU 0.74 0.01 55 VAL 0.70 0.05 56 ASP 0.72 0.02 57 ALA 0.65 0.01 58 ASP 0.77 0.01 59 GLY 0.76 0.01 60 ASN 0.79 0.01 61 GLY 0.76 0.02 62 THR 0.79 0.01 63 ILE 0.77 0.02 64 ASP 0.78 0.03 65 PHE 0.75 0.02 67 GLU 0.79 0.03 68 PHE 0.80 0.02 69 LEU 0.78 0.03 70 THR 0.78 0.03 71 MET 0.76 0.03 72 MET 0.70 0.03 73 ALA 0.78 0.03 74 ARG 0.70 0.02 75 LYS 0.64 0.04 76 MET 0.65 0.02 77 LYS 0.50 0.02 78 ASP 0.40 0.02 79 THR 0.48 0.01 80 ASP 0.44 0.01 81 SER 0.50 0.03 82 GLU 0.56 0.02 83 GLU 0.63 0.01 84 GLU 0.64 0.03 85 ILE 0.65 0.02 86 ARG 0.69 0.03 87 GLU 0.72 0.02 88 ALA 0.76 0.02 89 PHE 0.67 0.05 90 ARG 0.76 0.03 91 VAL 0.75 0.02 92 PHE 0.76 0.06 93 ASP 0.78 0.02 94 LYS 0.75 0.02 95 ASP 0.80 0.02 96 GLY 0.75 0.01 97 ASN 0.79 0.01 98 GLY 0.75 0.02 99 TYR 0.79 0.01 100 ILE 0.78 0.04 101 SER 0.71 0.03 102 ALA 0.79 0.02 103 ALA 0.76 0.01 104 GLU 0.78 0.02 105 LEU 0.73 0.03 106 ARG 0.76 0.05 107 HIS 0.83 0.06 108 VAL 0.77 0.03 109 MET 0.73 0.03 110 THR 0.54 0.03 111 ASN 0.68 0.05 113 GLY 0.73 0.06 114 GLU 0.66 0.02 115 LYS 0.43 0.02 116 LEU 0.46 0.02 117 THR 0.68 0.03 118 ASP 0.72 0.01 119 GLU 0.71 0.01 120 GLU 0.72 0.01 121 VAL 0.78 0.02 122 ASP 0.68 0.01 123 GLU 0.74 0.01 124 MET 0.75 0.01 125 ILE 0.74 0.02 126 ARG 0.75 0.02 127 GLU 0.73 0.02 128 ALA 0.69 0.03 129 ASP 0.76 0.04 130 ILE 0.63 0.02 131 ASP 0.76 0.01 132 GLY 0.75 0.01 133 ASP 0.75 0.01 134 GLY 0.73 0.02 135 GLN 0.74 0.01 136 VAL 0.77 0.02 137 ASN 0.74 0.04 138 TYR 0.71 0.03 139 GLU 0.76 0.01 140 GLU 0.72 0.02 141 LEU 0.79 0.04 142 VAL 0.75 0.02 143 GLN 0.73 0.03 144 MET 0.71 0.01 145 MET 0.72 0.03 146 THR 0.63 0.02 147 ALA 0.51 0.01 148 LYS 0.10 0.01 stop_ save_