data_15624 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of Calmodulin complexed with the Calmodulin Binding Domain of Calcineurin ; _BMRB_accession_number 15624 _BMRB_flat_file_name bmr15624.str _Entry_type original _Submission_date 2008-01-10 _Accession_date 2008-01-10 _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 Chyan Chia-Lin . . 2 Irene Deli . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 957 "13C chemical shifts" 696 "15N chemical shifts" 179 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-15 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 6023 '1H, 15N, and 13C resonance assignments of calmodulin complexed with the calmodulin-binding domain of calcineurin' stop_ _Original_release_date 2008-01-10 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of Calmodulin complexed with the Calmodulin Binding Domain of Calcineurin ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chyan Chia-Lin . . 2 Irene Deli . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword NMR calcineurin calmodulin 'molecular interaction' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CaMCaNp _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $Calmodulin entity_2 $Calmodulin_binding_domain_of_Calcineurin 'CALCIUM ION' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'protein phosphatase 2B activator' stop_ _Database_query_date . _Details 'complex of calmodulin and calmodulin binding domain of calcineurin' save_ ######################## # Monomeric polymers # ######################## save_Calmodulin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Calmodulin _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'calcium binding protein' 'regualte calcium-related pathway' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 148 _Mol_residue_sequence ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; 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 PHE 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 . 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 PIR P0DP23 calmodulin . . . . . stop_ save_ save_Calmodulin_binding_domain_of_Calcineurin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Calmodulin_binding_domain_of_Calcineurin _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'serine/threonine protein phosphatase 2B' stop_ _Details . _Residue_count 24 _Mol_residue_sequence ; ARKEVIRNKIRAIGKMARVF SVLR ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ARG 3 LYS 4 GLU 5 VAL 6 ILE 7 ARG 8 ASN 9 LYS 10 ILE 11 ARG 12 ALA 13 ILE 14 GLY 15 LYS 16 MET 17 ALA 18 ARG 19 VAL 20 PHE 21 SER 22 VAL 23 LEU 24 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 EMBL L14778 P2BA_HUMAN . . . . . stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA N 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 $Calmodulin Human 9606 Eukaryota Metazoa Homo sapiens $Calmodulin_binding_domain_of_Calcineurin Human 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 $Calmodulin 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET29c $Calmodulin_binding_domain_of_Calcineurin 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CaMCaNp _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Calmodulin 1 mM '[U-99% 13C; U-99% 15N]' $Calmodulin_binding_domain_of_Calcineurin 1 mM '[U-99% 13C; U-99% 15N]' $CA 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert and Wuthrich' . . stop_ loop_ _Task 'automated NOEs assignment' 'structure calculation' stop_ _Details . save_ save_AURELIA _Saveframe_category software _Name AURELIA _Version 3.6 loop_ _Vendor _Address _Electronic_address 'Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer' . . stop_ loop_ _Task 'peak picking' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'High Field Nuclear Magnetic Center, Academia Sinica, Taiwan' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'National Dong Hwa University' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $CaMCaNp save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $CaMCaNp save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $CaMCaNp save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $CaMCaNp save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $CaMCaNp save_ save_3D_CBCANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $CaMCaNp save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $CaMCaNp save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $CaMCaNp save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $CaMCaNp save_ save_3D_HCCH_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH TOCSY' _Sample_label $CaMCaNp save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $CaMCaNp save_ save_3D_1H-13C_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $CaMCaNp save_ save_2D_DQF-COSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $CaMCaNp save_ save_2D_1H-1H_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $CaMCaNp save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $CaMCaNp save_ save_3D_H(CCO)NH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $CaMCaNp save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.05 pH temperature 310 0.1 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D CBCANH' '3D C(CO)NH' '3D HBHA(CO)NH' '3D HNCO' '3D HCCH TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D H(CCO)NH' stop_ loop_ _Sample_label $CaMCaNp stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_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 4.087 0.02 . 2 1 1 ALA HB H 1.520 0.02 . 3 1 1 ALA CA C 51.911 0.20 . 4 1 1 ALA CB C 19.374 0.20 . 5 2 2 ASP HA H 4.649 0.02 . 6 2 2 ASP HB2 H 2.709 0.02 . 7 2 2 ASP HB3 H 2.564 0.02 . 8 2 2 ASP C C 175.791 0.10 . 9 2 2 ASP CA C 54.372 0.20 . 10 2 2 ASP CB C 41.385 0.20 . 11 3 3 GLN H H 8.317 0.02 . 12 3 3 GLN HA H 4.386 0.02 . 13 3 3 GLN HB2 H 2.103 0.02 . 14 3 3 GLN HB3 H 1.986 0.02 . 15 3 3 GLN HE21 H 6.800 0.02 . 16 3 3 GLN HE22 H 7.460 0.02 . 17 3 3 GLN HG2 H 2.355 0.02 . 18 3 3 GLN HG3 H 2.206 0.02 . 19 3 3 GLN C C 175.768 0.10 . 20 3 3 GLN CA C 55.534 0.20 . 21 3 3 GLN CB C 29.696 0.20 . 22 3 3 GLN CD C 180.323 0.20 . 23 3 3 GLN CG C 33.729 0.20 . 24 3 3 GLN N N 120.107 0.10 . 25 3 3 GLN NE2 N 111.851 0.10 . 26 4 4 LEU H H 8.223 0.02 . 27 4 4 LEU HA H 4.692 0.02 . 28 4 4 LEU HB2 H 1.725 0.02 . 29 4 4 LEU HB3 H 1.548 0.02 . 30 4 4 LEU HD1 H 0.913 0.02 . 31 4 4 LEU HD2 H 0.925 0.02 . 32 4 4 LEU C C 177.888 0.10 . 33 4 4 LEU CA C 54.372 0.20 . 34 4 4 LEU CB C 43.572 0.20 . 35 4 4 LEU CD1 C 23.681 0.20 . 36 4 4 LEU CD2 C 26.005 0.20 . 37 4 4 LEU CG C 26.769 0.20 . 38 4 4 LEU N N 123.389 0.10 . 39 5 5 THR H H 8.687 0.02 . 40 5 5 THR HA H 4.502 0.02 . 41 5 5 THR HB H 4.769 0.02 . 42 5 5 THR HG2 H 1.351 0.02 . 43 5 5 THR C C 175.563 0.10 . 44 5 5 THR CA C 60.524 0.20 . 45 5 5 THR CB C 71.119 0.20 . 46 5 5 THR CG2 C 21.835 0.20 . 47 5 5 THR N N 113.163 0.10 . 48 6 6 GLU H H 8.968 0.02 . 49 6 6 GLU HA H 3.997 0.02 . 50 6 6 GLU HB2 H 2.081 0.02 . 51 6 6 GLU HB3 H 1.968 0.02 . 52 6 6 GLU HG2 H 2.352 0.02 . 53 6 6 GLU HG3 H 2.386 0.02 . 54 6 6 GLU C C 179.642 0.10 . 55 6 6 GLU CA C 59.977 0.20 . 56 6 6 GLU CB C 29.218 0.20 . 57 6 6 GLU CG C 36.190 0.20 . 58 6 6 GLU N N 120.459 0.10 . 59 7 7 GLU H H 8.575 0.02 . 60 7 7 GLU HA H 4.063 0.02 . 61 7 7 GLU HB2 H 2.081 0.02 . 62 7 7 GLU HB3 H 1.939 0.02 . 63 7 7 GLU HG2 H 2.331 0.02 . 64 7 7 GLU HG3 H 2.293 0.02 . 65 7 7 GLU C C 178.736 0.10 . 66 7 7 GLU CA C 59.977 0.20 . 67 7 7 GLU CB C 29.149 0.20 . 68 7 7 GLU CG C 36.190 0.20 . 69 7 7 GLU N N 119.873 0.10 . 70 8 8 GLN H H 7.707 0.02 . 71 8 8 GLN HA H 4.053 0.02 . 72 8 8 GLN HB2 H 2.406 0.02 . 73 8 8 GLN HB3 H 1.877 0.02 . 74 8 8 GLN HE21 H 7.484 0.02 . 75 8 8 GLN HE22 H 6.803 0.02 . 76 8 8 GLN HG2 H 2.358 0.02 . 77 8 8 GLN HG3 H 2.412 0.02 . 78 8 8 GLN C C 179.551 0.10 . 79 8 8 GLN CA C 58.615 0.20 . 80 8 8 GLN CB C 29.423 0.20 . 81 8 8 GLN CD C 180.846 0.20 . 82 8 8 GLN CG C 35.233 0.20 . 83 8 8 GLN N N 119.052 0.10 . 84 8 8 GLN NE2 N 111.898 0.10 . 85 9 9 ILE H H 8.429 0.02 . 86 9 9 ILE HA H 3.819 0.02 . 87 9 9 ILE HB H 2.023 0.02 . 88 9 9 ILE HD1 H 0.886 0.02 . 89 9 9 ILE HG12 H 1.851 0.02 . 90 9 9 ILE HG13 H 1.851 0.02 . 91 9 9 ILE HG2 H 1.142 0.02 . 92 9 9 ILE C C 179.385 0.10 . 93 9 9 ILE CA C 66.225 0.20 . 94 9 9 ILE CB C 37.694 0.20 . 95 9 9 ILE CD1 C 12.744 0.20 . 96 9 9 ILE CG1 C 30.193 0.20 . 97 9 9 ILE CG2 C 17.187 0.20 . 98 9 9 ILE N N 119.873 0.10 . 99 10 10 ALA H H 8.071 0.02 . 100 10 10 ALA HA H 4.150 0.02 . 101 10 10 ALA HB H 1.581 0.02 . 102 10 10 ALA C C 181.357 0.10 . 103 10 10 ALA CA C 55.534 0.20 . 104 10 10 ALA CB C 17.802 0.20 . 105 10 10 ALA N N 122.129 0.10 . 106 11 11 GLU H H 7.965 0.02 . 107 11 11 GLU HA H 4.099 0.02 . 108 11 11 GLU HB2 H 2.158 0.02 . 109 11 11 GLU HB3 H 1.573 0.02 . 110 11 11 GLU HG2 H 2.522 0.02 . 111 11 11 GLU HG3 H 2.501 0.02 . 112 11 11 GLU C C 180.726 0.10 . 113 11 11 GLU CA C 59.362 0.20 . 114 11 11 GLU CB C 29.218 0.20 . 115 11 11 GLU CG C 36.326 0.20 . 116 11 11 GLU N N 118.789 0.10 . 117 12 12 PHE H H 8.452 0.02 . 118 12 12 PHE HA H 4.850 0.02 . 119 12 12 PHE HB2 H 3.563 0.02 . 120 12 12 PHE HB3 H 3.420 0.02 . 121 12 12 PHE HD1 H 7.177 0.02 . 122 12 12 PHE HD2 H 7.177 0.02 . 123 12 12 PHE HE1 H 7.365 0.02 . 124 12 12 PHE HE2 H 7.365 0.02 . 125 12 12 PHE HZ H 7.218 0.02 . 126 12 12 PHE C C 179.160 0.10 . 127 12 12 PHE CA C 60.866 0.20 . 128 12 12 PHE CB C 38.514 0.20 . 129 12 12 PHE N N 118.965 0.10 . 130 13 13 LYS H H 9.244 0.02 . 131 13 13 LYS HA H 3.980 0.02 . 132 13 13 LYS HB2 H 1.958 0.02 . 133 13 13 LYS HB3 H 1.835 0.02 . 134 13 13 LYS HD2 H 1.310 0.02 . 135 13 13 LYS HD3 H 1.321 0.02 . 136 13 13 LYS HE2 H 2.542 0.02 . 137 13 13 LYS HE3 H 2.542 0.02 . 138 13 13 LYS HG2 H 1.115 0.02 . 139 13 13 LYS HG3 H 1.018 0.02 . 140 13 13 LYS C C 179.345 0.10 . 141 13 13 LYS CA C 60.033 0.20 . 142 13 13 LYS CB C 31.473 0.20 . 143 13 13 LYS CD C 28.731 0.20 . 144 13 13 LYS CE C 41.805 0.20 . 145 13 13 LYS CG C 25.321 0.20 . 146 13 13 LYS N N 124.004 0.10 . 147 14 14 GLU H H 8.006 0.02 . 148 14 14 GLU HA H 4.200 0.02 . 149 14 14 GLU HB2 H 2.244 0.02 . 150 14 14 GLU HB3 H 2.169 0.02 . 151 14 14 GLU HG2 H 2.340 0.02 . 152 14 14 GLU HG3 H 2.383 0.02 . 153 14 14 GLU C C 179.847 0.10 . 154 14 14 GLU CA C 59.464 0.20 . 155 14 14 GLU CB C 29.491 0.20 . 156 14 14 GLU CG C 36.483 0.20 . 157 14 14 GLU N N 119.492 0.10 . 158 15 15 ALA H H 7.742 0.02 . 159 15 15 ALA HA H 4.233 0.02 . 160 15 15 ALA HB H 1.921 0.02 . 161 15 15 ALA C C 177.792 0.10 . 162 15 15 ALA CA C 55.398 0.20 . 163 15 15 ALA CB C 17.802 0.20 . 164 15 15 ALA N N 120.986 0.10 . 165 16 16 PHE H H 8.646 0.02 . 166 16 16 PHE HA H 3.384 0.02 . 167 16 16 PHE HB2 H 3.319 0.02 . 168 16 16 PHE HB3 H 2.891 0.02 . 169 16 16 PHE HD1 H 6.698 0.02 . 170 16 16 PHE HD2 H 6.698 0.02 . 171 16 16 PHE HE1 H 7.167 0.02 . 172 16 16 PHE HE2 H 7.167 0.02 . 173 16 16 PHE HZ H 7.377 0.02 . 174 16 16 PHE C C 177.886 0.10 . 175 16 16 PHE CA C 61.618 0.20 . 176 16 16 PHE CB C 39.770 0.20 . 177 16 16 PHE N N 119.052 0.10 . 178 17 17 SER H H 8.200 0.02 . 179 17 17 SER HA H 4.053 0.02 . 180 17 17 SER HB2 H 4.053 0.02 . 181 17 17 SER HB3 H 4.053 0.02 . 182 17 17 SER C C 177.921 0.10 . 183 17 17 SER CA C 61.495 0.20 . 184 17 17 SER CB C 63.395 0.20 . 185 17 17 SER N N 113.896 0.10 . 186 18 18 LEU H H 7.202 0.02 . 187 18 18 LEU HA H 3.965 0.02 . 188 18 18 LEU HB2 H 1.673 0.02 . 189 18 18 LEU HB3 H 1.447 0.02 . 190 18 18 LEU HD1 H 0.742 0.02 . 191 18 18 LEU HD2 H 0.663 0.02 . 192 18 18 LEU HG H 1.134 0.02 . 193 18 18 LEU C C 176.139 0.10 . 194 18 18 LEU CA C 57.380 0.20 . 195 18 18 LEU CB C 42.137 0.20 . 196 18 18 LEU CD1 C 23.407 0.20 . 197 18 18 LEU CD2 C 25.253 0.20 . 198 18 18 LEU CG C 25.573 0.20 . 199 18 18 LEU N N 120.605 0.10 . 200 19 19 PHE H H 6.932 0.02 . 201 19 19 PHE HA H 4.183 0.02 . 202 19 19 PHE HB2 H 2.709 0.02 . 203 19 19 PHE HB3 H 2.565 0.02 . 204 19 19 PHE C C 176.097 0.10 . 205 19 19 PHE CA C 58.743 0.20 . 206 19 19 PHE CB C 41.727 0.20 . 207 19 19 PHE N N 112.518 0.10 . 208 20 20 ASP H H 7.425 0.02 . 209 20 20 ASP HA H 4.591 0.02 . 210 20 20 ASP HB2 H 2.255 0.02 . 211 20 20 ASP HB3 H 1.472 0.02 . 212 20 20 ASP C C 177.124 0.10 . 213 20 20 ASP CA C 52.253 0.20 . 214 20 20 ASP CB C 39.402 0.20 . 215 20 20 ASP N N 116.035 0.10 . 216 21 21 LYS H H 7.654 0.02 . 217 21 21 LYS HA H 3.956 0.02 . 218 21 21 LYS HB2 H 1.887 0.02 . 219 21 21 LYS HB3 H 1.835 0.02 . 220 21 21 LYS HD2 H 1.688 0.02 . 221 21 21 LYS HD3 H 1.688 0.02 . 222 21 21 LYS HE2 H 2.975 0.02 . 223 21 21 LYS HE3 H 2.859 0.02 . 224 21 21 LYS HG2 H 1.551 0.02 . 225 21 21 LYS HG3 H 1.532 0.02 . 226 21 21 LYS C C 178.404 0.10 . 227 21 21 LYS CA C 58.134 0.20 . 228 21 21 LYS CB C 32.567 0.20 . 229 21 21 LYS CD C 28.261 0.20 . 230 21 21 LYS CE C 42.137 0.20 . 231 21 21 LYS CG C 24.091 0.20 . 232 21 21 LYS N N 124.063 0.10 . 233 22 22 ASP H H 8.161 0.02 . 234 22 22 ASP HA H 4.580 0.02 . 235 22 22 ASP HB2 H 3.091 0.02 . 236 22 22 ASP HB3 H 2.657 0.02 . 237 22 22 ASP C C 177.848 0.10 . 238 22 22 ASP CA C 52.868 0.20 . 239 22 22 ASP CB C 39.744 0.20 . 240 22 22 ASP N N 114.112 0.10 . 241 23 23 GLY H H 7.625 0.02 . 242 23 23 GLY HA2 H 3.901 0.02 . 243 23 23 GLY HA3 H 3.886 0.02 . 244 23 23 GLY C C 175.335 0.10 . 245 23 23 GLY CA C 47.195 0.20 . 246 23 23 GLY N N 109.207 0.10 . 247 24 24 ASP H H 8.470 0.02 . 248 24 24 ASP HA H 4.516 0.02 . 249 24 24 ASP HB2 H 3.077 0.02 . 250 24 24 ASP HB3 H 2.478 0.02 . 251 24 24 ASP C C 177.556 0.10 . 252 24 24 ASP CB C 40.291 0.20 . 253 24 24 ASP N N 120.957 0.10 . 254 25 25 GLY H H 10.505 0.02 . 255 25 25 GLY HA2 H 4.414 0.02 . 256 25 25 GLY HA3 H 3.727 0.02 . 257 25 25 GLY C C 174.025 0.10 . 258 25 25 GLY CA C 45.486 0.20 . 259 25 25 GLY N N 112.724 0.10 . 260 26 26 THR H H 8.235 0.02 . 261 26 26 THR HA H 5.416 0.02 . 262 26 26 THR HB H 3.864 0.02 . 263 26 26 THR HG2 H 1.072 0.02 . 264 26 26 THR C C 173.425 0.10 . 265 26 26 THR CA C 59.772 0.20 . 266 26 26 THR CB C 72.760 0.20 . 267 26 26 THR CG2 C 21.972 0.20 . 268 26 26 THR N N 112.518 0.10 . 269 27 27 ILE H H 9.807 0.02 . 270 27 27 ILE HA H 4.776 0.02 . 271 27 27 ILE HB H 1.763 0.02 . 272 27 27 ILE HD1 H 0.242 0.02 . 273 27 27 ILE HG12 H 1.284 0.02 . 274 27 27 ILE HG13 H 1.284 0.02 . 275 27 27 ILE HG2 H 0.891 0.02 . 276 27 27 ILE C C 176.223 0.10 . 277 27 27 ILE CA C 60.798 0.20 . 278 27 27 ILE CB C 39.744 0.20 . 279 27 27 ILE CD1 C 14.863 0.20 . 280 27 27 ILE CG1 C 26.462 0.20 . 281 27 27 ILE CG2 C 17.529 0.20 . 282 27 27 ILE N N 126.905 0.10 . 283 28 28 THR H H 8.475 0.02 . 284 28 28 THR HA H 4.892 0.02 . 285 28 28 THR HB H 4.893 0.02 . 286 28 28 THR HG2 H 1.305 0.02 . 287 28 28 THR C C 176.943 0.10 . 288 28 28 THR CA C 59.499 0.20 . 289 28 28 THR CB C 72.623 0.20 . 290 28 28 THR CG2 C 21.980 0.20 . 291 28 28 THR N N 116.562 0.10 . 292 29 29 THR H H 9.203 0.02 . 293 29 29 THR HA H 3.800 0.02 . 294 29 29 THR HB H 4.227 0.02 . 295 29 29 THR HG2 H 1.310 0.02 . 296 29 29 THR C C 177.504 0.10 . 297 29 29 THR CA C 66.334 0.20 . 298 29 29 THR CB C 67.838 0.20 . 299 29 29 THR CG2 C 23.476 0.20 . 300 29 29 THR N N 112.489 0.10 . 301 30 30 LYS H H 7.595 0.02 . 302 30 30 LYS HA H 4.128 0.02 . 303 30 30 LYS HB2 H 1.851 0.02 . 304 30 30 LYS HB3 H 1.825 0.02 . 305 30 30 LYS HD2 H 1.682 0.02 . 306 30 30 LYS HD3 H 1.723 0.02 . 307 30 30 LYS HE2 H 3.004 0.02 . 308 30 30 LYS HE3 H 3.004 0.02 . 309 30 30 LYS HG2 H 1.520 0.02 . 310 30 30 LYS HG3 H 1.423 0.02 . 311 30 30 LYS C C 180.078 0.10 . 312 30 30 LYS CA C 59.225 0.20 . 313 30 30 LYS CB C 32.499 0.20 . 314 30 30 LYS CD C 29.146 0.20 . 315 30 30 LYS CE C 42.205 0.20 . 316 30 30 LYS CG C 24.843 0.20 . 317 30 30 LYS N N 121.104 0.10 . 318 31 31 GLU H H 7.689 0.02 . 319 31 31 GLU HA H 3.985 0.02 . 320 31 31 GLU HB2 H 2.883 0.02 . 321 31 31 GLU HB3 H 2.333 0.02 . 322 31 31 GLU HG2 H 2.504 0.02 . 323 31 31 GLU HG3 H 2.621 0.02 . 324 31 31 GLU C C 179.141 0.10 . 325 31 31 GLU CA C 59.669 0.20 . 326 31 31 GLU CB C 29.459 0.20 . 327 31 31 GLU CG C 38.481 0.20 . 328 31 31 GLU N N 122.070 0.10 . 329 32 32 LEU H H 8.610 0.02 . 330 32 32 LEU HA H 4.160 0.02 . 331 32 32 LEU HB2 H 1.860 0.02 . 332 32 32 LEU HB3 H 1.532 0.02 . 333 32 32 LEU HD1 H 0.878 0.02 . 334 32 32 LEU HD2 H 0.823 0.02 . 335 32 32 LEU HG H 1.715 0.02 . 336 32 32 LEU C C 179.341 0.10 . 337 32 32 LEU CA C 58.474 0.20 . 338 32 32 LEU CB C 42.547 0.20 . 339 32 32 LEU CD1 C 23.749 0.20 . 340 32 32 LEU CG C 26.175 0.20 . 341 32 32 LEU N N 119.785 0.10 . 342 33 33 GLY H H 8.786 0.02 . 343 33 33 GLY HA2 H 3.968 0.02 . 344 33 33 GLY HA3 H 3.525 0.02 . 345 33 33 GLY C C 175.151 0.10 . 346 33 33 GLY CA C 48.562 0.20 . 347 33 33 GLY N N 105.721 0.10 . 348 34 34 THR H H 8.053 0.02 . 349 34 34 THR HA H 3.959 0.02 . 350 34 34 THR HB H 4.416 0.02 . 351 34 34 THR HG2 H 1.299 0.02 . 352 34 34 THR C C 177.339 0.10 . 353 34 34 THR CA C 67.086 0.20 . 354 34 34 THR CB C 68.795 0.20 . 355 34 34 THR CG2 C 21.425 0.20 . 356 34 34 THR N N 118.496 0.10 . 357 35 35 VAL H H 7.748 0.02 . 358 35 35 VAL HA H 3.667 0.02 . 359 35 35 VAL HB H 2.114 0.02 . 360 35 35 VAL HG1 H 0.928 0.02 . 361 35 35 VAL HG2 H 0.605 0.02 . 362 35 35 VAL C C 179.118 0.10 . 363 35 35 VAL CA C 66.608 0.20 . 364 35 35 VAL CB C 31.609 0.20 . 365 35 35 VAL CG1 C 23.339 0.20 . 366 35 35 VAL CG2 C 20.673 0.20 . 367 35 35 VAL N N 121.865 0.10 . 368 36 36 MET H H 8.434 0.02 . 369 36 36 MET HA H 4.087 0.02 . 370 36 36 MET HB2 H 2.053 0.02 . 371 36 36 MET HB3 H 1.720 0.02 . 372 36 36 MET HE H 2.052 0.02 . 373 36 36 MET HG2 H 2.696 0.02 . 374 36 36 MET HG3 H 2.432 0.02 . 375 36 36 MET C C 179.288 0.10 . 376 36 36 MET CA C 58.508 0.20 . 377 36 36 MET CB C 30.770 0.20 . 378 36 36 MET CE C 16.917 0.20 . 379 36 36 MET CG C 32.840 0.20 . 380 36 36 MET N N 117.294 0.10 . 381 37 37 ARG H H 8.675 0.02 . 382 37 37 ARG HA H 4.778 0.02 . 383 37 37 ARG HB2 H 1.952 0.02 . 384 37 37 ARG HB3 H 1.915 0.02 . 385 37 37 ARG HD2 H 3.123 0.02 . 386 37 37 ARG HD3 H 3.294 0.02 . 387 37 37 ARG HE H 7.399 0.02 . 388 37 37 ARG HG2 H 1.887 0.02 . 389 37 37 ARG HG3 H 1.831 0.02 . 390 37 37 ARG C C 181.830 0.10 . 391 37 37 ARG CA C 59.225 0.20 . 392 37 37 ARG CB C 29.901 0.20 . 393 37 37 ARG CD C 43.709 0.20 . 394 37 37 ARG CG C 29.543 0.20 . 395 37 37 ARG N N 119.052 0.10 . 396 37 37 ARG NE N 115.262 0.10 . 397 38 38 SER H H 7.983 0.02 . 398 38 38 SER HA H 4.359 0.02 . 399 38 38 SER HB2 H 4.098 0.02 . 400 38 38 SER HB3 H 3.977 0.02 . 401 38 38 SER C C 178.113 0.10 . 402 38 38 SER CA C 62.096 0.20 . 403 38 38 SER CB C 62.743 0.20 . 404 38 38 SER N N 119.111 0.10 . 405 39 39 LEU H H 7.314 0.02 . 406 39 39 LEU HA H 4.384 0.02 . 407 39 39 LEU HB2 H 1.886 0.02 . 408 39 39 LEU HB3 H 1.745 0.02 . 409 39 39 LEU HD1 H 0.865 0.02 . 410 39 39 LEU HD2 H 0.789 0.02 . 411 39 39 LEU HG H 1.892 0.02 . 412 39 39 LEU C C 177.376 0.10 . 413 39 39 LEU CA C 54.341 0.20 . 414 39 39 LEU CB C 41.521 0.20 . 415 39 39 LEU CD1 C 25.731 0.20 . 416 39 39 LEU CD2 C 23.134 0.20 . 417 39 39 LEU CG C 26.347 0.20 . 418 39 39 LEU N N 119.463 0.10 . 419 40 40 GLY H H 7.871 0.02 . 420 40 40 GLY HA2 H 4.268 0.02 . 421 40 40 GLY HA3 H 3.812 0.02 . 422 40 40 GLY C C 174.401 0.10 . 423 40 40 GLY CA C 45.623 0.20 . 424 40 40 GLY N N 106.893 0.10 . 425 41 41 GLN H H 7.854 0.02 . 426 41 41 GLN HA H 4.519 0.02 . 427 41 41 GLN HB2 H 2.002 0.02 . 428 41 41 GLN HB3 H 1.549 0.02 . 429 41 41 GLN HE21 H 7.452 0.02 . 430 41 41 GLN HE22 H 6.798 0.02 . 431 41 41 GLN HG2 H 2.181 0.02 . 432 41 41 GLN HG3 H 2.157 0.02 . 433 41 41 GLN C C 174.340 0.10 . 434 41 41 GLN CA C 54.032 0.20 . 435 41 41 GLN CB C 30.380 0.20 . 436 41 41 GLN CD C 178.329 0.20 . 437 41 41 GLN CG C 33.524 0.20 . 438 41 41 GLN N N 118.320 0.10 . 439 41 41 GLN NE2 N 111.409 0.10 . 440 42 42 ASN H H 8.593 0.02 . 441 42 42 ASN HA H 4.579 0.02 . 442 42 42 ASN HB2 H 2.694 0.02 . 443 42 42 ASN HD21 H 7.400 0.02 . 444 42 42 ASN HD22 H 6.708 0.02 . 445 42 42 ASN C C 172.282 0.10 . 446 42 42 ASN CA C 51.296 0.20 . 447 42 42 ASN CB C 39.165 0.20 . 448 42 42 ASN CG C 178.294 0.20 . 449 42 42 ASN N N 116.474 0.10 . 450 43 43 PRO HA H 4.815 0.02 . 451 43 43 PRO HB2 H 1.847 0.02 . 452 43 43 PRO HD2 H 3.518 0.02 . 453 43 43 PRO HD3 H 3.070 0.02 . 454 43 43 PRO HG2 H 1.793 0.02 . 455 43 43 PRO HG3 H 1.510 0.02 . 456 43 43 PRO C C 177.641 0.10 . 457 43 43 PRO CA C 62.165 0.20 . 458 43 43 PRO CB C 31.813 0.20 . 459 43 43 PRO CD C 49.656 0.20 . 460 43 43 PRO CG C 27.599 0.20 . 461 44 44 THR H H 9.156 0.02 . 462 44 44 THR HA H 4.502 0.02 . 463 44 44 THR HB H 4.772 0.02 . 464 44 44 THR HG2 H 1.350 0.02 . 465 44 44 THR C C 177.640 0.10 . 466 44 44 THR CA C 60.457 0.20 . 467 44 44 THR CB C 71.256 0.20 . 468 44 44 THR CG2 C 21.835 0.20 . 469 44 44 THR N N 113.837 0.10 . 470 45 45 GLU H H 8.769 0.02 . 471 45 45 GLU HA H 4.024 0.02 . 472 45 45 GLU HB2 H 2.081 0.02 . 473 45 45 GLU HB3 H 1.968 0.02 . 474 45 45 GLU HG2 H 2.348 0.02 . 475 45 45 GLU HG3 H 2.349 0.02 . 476 45 45 GLU C C 178.979 0.10 . 477 45 45 GLU CA C 59.977 0.20 . 478 45 45 GLU CB C 29.218 0.20 . 479 45 45 GLU CG C 36.190 0.20 . 480 45 45 GLU N N 120.627 0.10 . 481 46 46 ALA H H 8.182 0.02 . 482 46 46 ALA HA H 4.090 0.02 . 483 46 46 ALA HB H 1.430 0.02 . 484 46 46 ALA C C 180.597 0.10 . 485 46 46 ALA CA C 55.124 0.20 . 486 46 46 ALA CB C 18.349 0.20 . 487 46 46 ALA N N 120.576 0.10 . 488 47 47 GLU H H 7.672 0.02 . 489 47 47 GLU HA H 4.036 0.02 . 490 47 47 GLU HB2 H 2.430 0.02 . 491 47 47 GLU HB3 H 1.881 0.02 . 492 47 47 GLU HG2 H 2.390 0.02 . 493 47 47 GLU HG3 H 2.383 0.02 . 494 47 47 GLU C C 179.608 0.10 . 495 47 47 GLU CA C 59.225 0.20 . 496 47 47 GLU CB C 29.286 0.20 . 497 47 47 GLU CG C 37.545 0.20 . 498 47 47 GLU N N 118.789 0.10 . 499 48 48 LEU H H 8.235 0.02 . 500 48 48 LEU HA H 4.133 0.02 . 501 48 48 LEU HB2 H 2.124 0.02 . 502 48 48 LEU HB3 H 1.210 0.02 . 503 48 48 LEU HD1 H 0.860 0.02 . 504 48 48 LEU HD2 H 0.784 0.02 . 505 48 48 LEU HG H 1.736 0.02 . 506 48 48 LEU C C 179.058 0.10 . 507 48 48 LEU CA C 57.927 0.20 . 508 48 48 LEU CB C 42.547 0.20 . 509 48 48 LEU CD1 C 26.073 0.20 . 510 48 48 LEU CD2 C 23.486 0.20 . 511 48 48 LEU CG C 26.084 0.20 . 512 48 48 LEU N N 119.433 0.10 . 513 49 49 GLN H H 8.144 0.02 . 514 49 49 GLN HA H 3.852 0.02 . 515 49 49 GLN HB2 H 2.238 0.02 . 516 49 49 GLN HB3 H 2.170 0.02 . 517 49 49 GLN HG2 H 2.513 0.02 . 518 49 49 GLN HG3 H 2.432 0.02 . 519 49 49 GLN C C 178.701 0.10 . 520 49 49 GLN CA C 58.679 0.20 . 521 49 49 GLN CB C 28.054 0.20 . 522 49 49 GLN CG C 34.207 0.20 . 523 49 49 GLN N N 117.887 0.10 . 524 50 50 ASP H H 8.059 0.02 . 525 50 50 ASP HA H 4.477 0.02 . 526 50 50 ASP HB2 H 2.878 0.02 . 527 50 50 ASP HB3 H 2.657 0.02 . 528 50 50 ASP C C 179.153 0.10 . 529 50 50 ASP CA C 57.517 0.20 . 530 50 50 ASP CB C 40.428 0.20 . 531 50 50 ASP N N 120.635 0.10 . 532 51 51 MET H H 8.153 0.02 . 533 51 51 MET HA H 3.940 0.02 . 534 51 51 MET HB2 H 2.292 0.02 . 535 51 51 MET HB3 H 2.060 0.02 . 536 51 51 MET HE H 1.994 0.02 . 537 51 51 MET HG2 H 2.792 0.02 . 538 51 51 MET HG3 H 2.462 0.02 . 539 51 51 MET C C 178.298 0.10 . 540 51 51 MET CA C 59.430 0.20 . 541 51 51 MET CB C 33.797 0.20 . 542 51 51 MET CE C 18.007 0.20 . 543 51 51 MET CG C 32.567 0.20 . 544 51 51 MET N N 120.137 0.10 . 545 52 52 ILE H H 7.824 0.02 . 546 52 52 ILE HA H 3.519 0.02 . 547 52 52 ILE HB H 1.995 0.02 . 548 52 52 ILE HD1 H 0.727 0.02 . 549 52 52 ILE HG12 H 1.650 0.02 . 550 52 52 ILE HG13 H 1.139 0.02 . 551 52 52 ILE HG2 H 0.725 0.02 . 552 52 52 ILE C C 178.341 0.10 . 553 52 52 ILE CA C 64.557 0.20 . 554 52 52 ILE CB C 37.010 0.20 . 555 52 52 ILE CD1 C 12.266 0.20 . 556 52 52 ILE CG1 C 28.891 0.20 . 557 52 52 ILE CG2 C 16.367 0.20 . 558 52 52 ILE N N 117.324 0.10 . 559 53 53 ASN H H 8.511 0.02 . 560 53 53 ASN HA H 4.449 0.02 . 561 53 53 ASN HB2 H 3.025 0.02 . 562 53 53 ASN HB3 H 2.918 0.02 . 563 53 53 ASN HD21 H 6.976 0.02 . 564 53 53 ASN HD22 H 7.820 0.02 . 565 53 53 ASN C C 177.095 0.10 . 566 53 53 ASN CA C 55.944 0.20 . 567 53 53 ASN CB C 38.377 0.20 . 568 53 53 ASN CG C 176.543 0.20 . 569 53 53 ASN N N 117.646 0.10 . 570 53 53 ASN ND2 N 111.556 0.10 . 571 54 54 GLU H H 7.478 0.02 . 572 54 54 GLU HA H 4.065 0.02 . 573 54 54 GLU HB2 H 2.128 0.02 . 574 54 54 GLU HB3 H 2.361 0.02 . 575 54 54 GLU HG2 H 2.352 0.02 . 576 54 54 GLU C C 177.346 0.10 . 577 54 54 GLU CA C 58.510 0.20 . 578 54 54 GLU CB C 29.802 0.20 . 579 54 54 GLU CG C 35.819 0.20 . 580 54 54 GLU N N 116.708 0.10 . 581 55 55 VAL H H 7.261 0.02 . 582 55 55 VAL HA H 4.275 0.02 . 583 55 55 VAL HB H 2.162 0.02 . 584 55 55 VAL HG1 H 0.936 0.02 . 585 55 55 VAL HG2 H 0.917 0.02 . 586 55 55 VAL C C 175.725 0.10 . 587 55 55 VAL CA C 61.139 0.20 . 588 55 55 VAL CB C 33.048 0.20 . 589 55 55 VAL CG1 C 20.400 0.20 . 590 55 55 VAL CG2 C 22.519 0.20 . 591 55 55 VAL N N 111.845 0.10 . 592 56 56 ASP H H 7.801 0.02 . 593 56 56 ASP HA H 4.518 0.02 . 594 56 56 ASP HB2 H 2.718 0.02 . 595 56 56 ASP HB3 H 2.491 0.02 . 596 56 56 ASP C C 175.974 0.10 . 597 56 56 ASP CA C 53.894 0.20 . 598 56 56 ASP CB C 41.316 0.20 . 599 56 56 ASP N N 120.898 0.10 . 600 57 57 ALA H H 8.159 0.02 . 601 57 57 ALA HA H 4.264 0.02 . 602 57 57 ALA HB H 1.545 0.02 . 603 57 57 ALA C C 178.891 0.10 . 604 57 57 ALA CA C 54.167 0.20 . 605 57 57 ALA CB C 19.921 0.20 . 606 57 57 ALA N N 131.359 0.10 . 607 58 58 ASP H H 8.276 0.02 . 608 58 58 ASP HA H 4.627 0.02 . 609 58 58 ASP HB2 H 3.030 0.02 . 610 58 58 ASP HB3 H 2.678 0.02 . 611 58 58 ASP C C 178.095 0.10 . 612 58 58 ASP CA C 52.894 0.20 . 613 58 58 ASP CB C 39.859 0.20 . 614 58 58 ASP N N 114.306 0.10 . 615 59 59 GLY H H 7.601 0.02 . 616 59 59 GLY HA2 H 3.988 0.02 . 617 59 59 GLY HA3 H 3.823 0.02 . 618 59 59 GLY C C 175.263 0.10 . 619 59 59 GLY CA C 47.400 0.20 . 620 59 59 GLY N N 108.680 0.10 . 621 60 60 ASN H H 8.241 0.02 . 622 60 60 ASN HA H 4.653 0.02 . 623 60 60 ASN HB2 H 3.339 0.02 . 624 60 60 ASN HB3 H 3.129 0.02 . 625 60 60 ASN C C 177.016 0.10 . 626 60 60 ASN CA C 52.707 0.20 . 627 60 60 ASN CB C 37.694 0.20 . 628 60 60 ASN N N 118.965 0.10 . 629 61 61 GLY H H 10.429 0.02 . 630 61 61 GLY HA2 H 4.275 0.02 . 631 61 61 GLY HA3 H 3.504 0.02 . 632 61 61 GLY C C 173.538 0.10 . 633 61 61 GLY CA C 45.623 0.20 . 634 61 61 GLY N N 112.958 0.10 . 635 62 62 THR H H 7.678 0.02 . 636 62 62 THR HA H 4.822 0.02 . 637 62 62 THR HB H 4.011 0.02 . 638 62 62 THR HG2 H 1.132 0.02 . 639 62 62 THR C C 173.833 0.10 . 640 62 62 THR CA C 59.430 0.20 . 641 62 62 THR CB C 72.281 0.20 . 642 62 62 THR CG2 C 22.519 0.20 . 643 62 62 THR N N 108.534 0.10 . 644 63 63 ILE H H 8.634 0.02 . 645 63 63 ILE HA H 5.053 0.02 . 646 63 63 ILE HB H 2.015 0.02 . 647 63 63 ILE HD1 H 0.822 0.02 . 648 63 63 ILE HG12 H 1.638 0.02 . 649 63 63 ILE HG13 H 1.238 0.02 . 650 63 63 ILE HG2 H 1.238 0.02 . 651 63 63 ILE C C 175.716 0.10 . 652 63 63 ILE CA C 60.251 0.20 . 653 63 63 ILE CB C 39.744 0.20 . 654 63 63 ILE CD1 C 13.359 0.20 . 655 63 63 ILE CG1 C 27.255 0.20 . 656 63 63 ILE CG2 C 18.333 0.20 . 657 63 63 ILE N N 123.155 0.10 . 658 64 64 ASP H H 9.115 0.02 . 659 64 64 ASP HA H 5.515 0.02 . 660 64 64 ASP HB2 H 3.066 0.02 . 661 64 64 ASP HB3 H 2.848 0.02 . 662 64 64 ASP C C 176.453 0.10 . 663 64 64 ASP CA C 52.322 0.20 . 664 64 64 ASP CB C 42.478 0.20 . 665 64 64 ASP N N 128.927 0.10 . 666 65 65 PHE H H 8.939 0.02 . 667 65 65 PHE HA H 3.965 0.02 . 668 65 65 PHE HB2 H 2.866 0.02 . 669 65 65 PHE HB3 H 2.125 0.02 . 670 65 65 PHE HD1 H 6.723 0.02 . 671 65 65 PHE HD2 H 6.723 0.02 . 672 65 65 PHE HE1 H 7.341 0.02 . 673 65 65 PHE HE2 H 7.341 0.02 . 674 65 65 PHE HZ H 7.194 0.02 . 675 65 65 PHE C C 173.915 0.10 . 676 65 65 PHE CA C 63.069 0.20 . 677 65 65 PHE CB C 35.985 0.20 . 678 65 65 PHE N N 118.994 0.10 . 679 66 66 PRO HA H 3.864 0.02 . 680 66 66 PRO HB2 H 2.211 0.02 . 681 66 66 PRO HB3 H 1.902 0.02 . 682 66 66 PRO HD2 H 3.766 0.02 . 683 66 66 PRO HD3 H 3.766 0.02 . 684 66 66 PRO C C 179.995 0.10 . 685 66 66 PRO CA C 66.744 0.20 . 686 66 66 PRO CB C 30.442 0.20 . 687 66 66 PRO CD C 49.246 0.20 . 688 66 66 PRO CG C 28.538 0.20 . 689 67 67 GLU H H 8.111 0.02 . 690 67 67 GLU HA H 4.071 0.02 . 691 67 67 GLU HB2 H 2.682 0.02 . 692 67 67 GLU HB3 H 2.107 0.02 . 693 67 67 GLU HG2 H 2.968 0.02 . 694 67 67 GLU HG3 H 2.418 0.02 . 695 67 67 GLU C C 179.596 0.10 . 696 67 67 GLU CA C 58.747 0.20 . 697 67 67 GLU CB C 29.218 0.20 . 698 67 67 GLU CG C 37.283 0.20 . 699 67 67 GLU N N 117.651 0.10 . 700 68 68 PHE H H 8.628 0.02 . 701 68 68 PHE HA H 3.971 0.02 . 702 68 68 PHE HB2 H 3.487 0.02 . 703 68 68 PHE HB3 H 3.158 0.02 . 704 68 68 PHE HD1 H 6.639 0.02 . 705 68 68 PHE HD2 H 6.639 0.02 . 706 68 68 PHE HE1 H 7.074 0.02 . 707 68 68 PHE HE2 H 7.074 0.02 . 708 68 68 PHE HZ H 7.206 0.02 . 709 68 68 PHE C C 176.674 0.10 . 710 68 68 PHE CA C 61.481 0.20 . 711 68 68 PHE CB C 40.496 0.20 . 712 68 68 PHE N N 123.594 0.10 . 713 69 69 LEU H H 8.816 0.02 . 714 69 69 LEU HA H 3.259 0.02 . 715 69 69 LEU HB2 H 1.194 0.02 . 716 69 69 LEU HD1 H 0.519 0.02 . 717 69 69 LEU HD2 H 0.579 0.02 . 718 69 69 LEU HG H 0.980 0.02 . 719 69 69 LEU C C 178.838 0.10 . 720 69 69 LEU CA C 57.927 0.20 . 721 69 69 LEU CB C 41.180 0.20 . 722 69 69 LEU CD1 C 25.048 0.20 . 723 69 69 LEU CD2 C 24.433 0.20 . 724 69 69 LEU CG C 24.853 0.20 . 725 69 69 LEU N N 120.166 0.10 . 726 70 70 THR H H 7.795 0.02 . 727 70 70 THR HA H 3.696 0.02 . 728 70 70 THR HB H 4.174 0.02 . 729 70 70 THR HG2 H 1.185 0.02 . 730 70 70 THR C C 176.408 0.10 . 731 70 70 THR CA C 66.608 0.20 . 732 70 70 THR CB C 68.522 0.20 . 733 70 70 THR CG2 C 21.767 0.20 . 734 70 70 THR N N 115.126 0.10 . 735 71 71 MET H H 7.472 0.02 . 736 71 71 MET HA H 3.920 0.02 . 737 71 71 MET HB2 H 2.026 0.02 . 738 71 71 MET HE H 1.724 0.02 . 739 71 71 MET HG2 H 2.427 0.02 . 740 71 71 MET HG3 H 2.169 0.02 . 741 71 71 MET C C 177.902 0.10 . 742 71 71 MET CA C 58.674 0.20 . 743 71 71 MET CB C 32.209 0.20 . 744 71 71 MET CE C 17.442 0.20 . 745 71 71 MET CG C 31.473 0.20 . 746 71 71 MET N N 120.283 0.10 . 747 72 72 MET H H 7.859 0.02 . 748 72 72 MET HA H 4.026 0.02 . 749 72 72 MET HB2 H 1.983 0.02 . 750 72 72 MET HB3 H 1.226 0.02 . 751 72 72 MET HG2 H 1.638 0.02 . 752 72 72 MET HG3 H 1.528 0.02 . 753 72 72 MET C C 178.165 0.10 . 754 72 72 MET CA C 55.524 0.20 . 755 72 72 MET CB C 30.303 0.20 . 756 72 72 MET CG C 32.362 0.20 . 757 72 72 MET N N 115.917 0.10 . 758 73 73 ALA H H 8.053 0.02 . 759 73 73 ALA HA H 4.213 0.02 . 760 73 73 ALA HB H 1.311 0.02 . 761 73 73 ALA C C 178.163 0.10 . 762 73 73 ALA CA C 53.005 0.20 . 763 73 73 ALA CB C 18.828 0.20 . 764 73 73 ALA N N 121.104 0.10 . 765 74 74 ARG H H 7.191 0.02 . 766 74 74 ARG HA H 4.104 0.02 . 767 74 74 ARG HB2 H 1.795 0.02 . 768 74 74 ARG HB3 H 1.868 0.02 . 769 74 74 ARG HD2 H 3.162 0.02 . 770 74 74 ARG C C 176.885 0.10 . 771 74 74 ARG CA C 57.399 0.20 . 772 74 74 ARG CB C 30.653 0.20 . 773 74 74 ARG CD C 43.709 0.20 . 774 74 74 ARG N N 118.320 0.10 . 775 75 75 LYS HA H 4.321 0.02 . 776 75 75 LYS HB2 H 1.818 0.02 . 777 75 75 LYS HB3 H 1.802 0.02 . 778 75 75 LYS HD2 H 1.677 0.02 . 779 75 75 LYS HD3 H 1.677 0.02 . 780 75 75 LYS HE2 H 3.003 0.02 . 781 75 75 LYS HE3 H 3.003 0.02 . 782 75 75 LYS HG2 H 1.441 0.02 . 783 75 75 LYS HG3 H 1.471 0.02 . 784 75 75 LYS C C 176.705 0.10 . 785 75 75 LYS CA C 56.355 0.20 . 786 75 75 LYS CB C 32.484 0.20 . 787 75 75 LYS CD C 28.809 0.20 . 788 75 75 LYS CE C 42.206 0.20 . 789 75 75 LYS CG C 24.843 0.20 . 790 76 76 MET H H 8.335 0.02 . 791 76 76 MET HA H 4.624 0.02 . 792 76 76 MET HB2 H 2.144 0.02 . 793 76 76 MET HB3 H 2.007 0.02 . 794 76 76 MET HG2 H 2.607 0.02 . 795 76 76 MET HG3 H 2.538 0.02 . 796 76 76 MET C C 176.729 0.10 . 797 76 76 MET CA C 54.815 0.20 . 798 76 76 MET CB C 33.256 0.20 . 799 76 76 MET CG C 31.952 0.20 . 800 76 76 MET N N 122.363 0.10 . 801 77 77 LYS H H 8.534 0.02 . 802 77 77 LYS HA H 4.352 0.02 . 803 77 77 LYS HB2 H 1.879 0.02 . 804 77 77 LYS HB3 H 1.844 0.02 . 805 77 77 LYS HD2 H 1.718 0.02 . 806 77 77 LYS HD3 H 1.772 0.02 . 807 77 77 LYS HE2 H 3.036 0.02 . 808 77 77 LYS HE3 H 3.036 0.02 . 809 77 77 LYS HG2 H 1.528 0.02 . 810 77 77 LYS HG3 H 1.536 0.02 . 811 77 77 LYS C C 178.325 0.10 . 812 77 77 LYS CA C 56.560 0.20 . 813 77 77 LYS CB C 33.110 0.20 . 814 77 77 LYS CD C 25.116 0.20 . 815 77 77 LYS CE C 42.098 0.20 . 816 77 77 LYS CG C 25.188 0.20 . 817 77 77 LYS N N 121.572 0.10 . 818 78 78 ASP H H 8.554 0.02 . 819 78 78 ASP HA H 4.598 0.02 . 820 78 78 ASP HB2 H 2.802 0.02 . 821 78 78 ASP HB3 H 2.878 0.02 . 822 78 78 ASP C C 177.386 0.10 . 823 78 78 ASP CA C 56.276 0.20 . 824 78 78 ASP CB C 40.496 0.20 . 825 78 78 ASP N N 122.100 0.10 . 826 79 79 THR H H 8.135 0.02 . 827 79 79 THR HA H 4.248 0.02 . 828 79 79 THR HB H 4.251 0.02 . 829 79 79 THR HG2 H 1.265 0.02 . 830 79 79 THR C C 175.534 0.10 . 831 79 79 THR CA C 63.395 0.20 . 832 79 79 THR CB C 66.334 0.20 . 833 79 79 THR CG2 C 22.121 0.20 . 834 79 79 THR N N 117.910 0.10 . 835 80 80 ASP H H 7.619 0.02 . 836 80 80 ASP HA H 4.620 0.02 . 837 80 80 ASP HB2 H 2.715 0.02 . 838 80 80 ASP C C 177.577 0.10 . 839 80 80 ASP CA C 55.715 0.20 . 840 80 80 ASP CB C 41.353 0.20 . 841 80 80 ASP N N 122.686 0.10 . 842 81 81 SER H H 8.323 0.02 . 843 81 81 SER HA H 4.154 0.02 . 844 81 81 SER HB2 H 3.947 0.02 . 845 81 81 SER HB3 H 3.947 0.02 . 846 81 81 SER C C 176.773 0.10 . 847 81 81 SER CA C 61.139 0.20 . 848 81 81 SER CB C 62.384 0.20 . 849 81 81 SER N N 116.269 0.10 . 850 82 82 GLU H H 8.247 0.02 . 851 82 82 GLU HA H 4.080 0.02 . 852 82 82 GLU HB2 H 2.119 0.02 . 853 82 82 GLU HG2 H 2.352 0.02 . 854 82 82 GLU C C 178.762 0.10 . 855 82 82 GLU CA C 59.409 0.20 . 856 82 82 GLU CB C 29.059 0.20 . 857 82 82 GLU CG C 36.528 0.20 . 858 82 82 GLU N N 121.191 0.10 . 859 83 83 GLU H H 7.936 0.02 . 860 83 83 GLU HA H 4.124 0.02 . 861 83 83 GLU HB2 H 2.142 0.02 . 862 83 83 GLU HB3 H 2.403 0.02 . 863 83 83 GLU HG2 H 2.359 0.02 . 864 83 83 GLU HG3 H 2.482 0.02 . 865 83 83 GLU C C 179.224 0.10 . 866 83 83 GLU CA C 59.313 0.20 . 867 83 83 GLU CB C 29.232 0.20 . 868 83 83 GLU CG C 36.190 0.20 . 869 83 83 GLU N N 118.701 0.10 . 870 84 84 GLU H H 7.947 0.02 . 871 84 84 GLU HA H 3.880 0.02 . 872 84 84 GLU HB2 H 2.345 0.02 . 873 84 84 GLU HB3 H 1.913 0.02 . 874 84 84 GLU HG2 H 2.605 0.02 . 875 84 84 GLU HG3 H 2.171 0.02 . 876 84 84 GLU C C 178.669 0.10 . 877 84 84 GLU CA C 59.525 0.20 . 878 84 84 GLU CB C 29.628 0.20 . 879 84 84 GLU CG C 37.215 0.20 . 880 84 84 GLU N N 117.705 0.10 . 881 85 85 ILE H H 7.683 0.02 . 882 85 85 ILE HA H 3.905 0.02 . 883 85 85 ILE HB H 2.297 0.02 . 884 85 85 ILE HD1 H 0.792 0.02 . 885 85 85 ILE HG12 H 1.831 0.02 . 886 85 85 ILE HG13 H 1.143 0.02 . 887 85 85 ILE HG2 H 1.107 0.02 . 888 85 85 ILE C C 178.334 0.10 . 889 85 85 ILE CA C 64.694 0.20 . 890 85 85 ILE CB C 36.762 0.20 . 891 85 85 ILE CD1 C 12.471 0.20 . 892 85 85 ILE CG1 C 29.307 0.20 . 893 85 85 ILE CG2 C 19.306 0.20 . 894 85 85 ILE N N 119.609 0.10 . 895 86 86 ARG H H 8.563 0.02 . 896 86 86 ARG HA H 4.180 0.02 . 897 86 86 ARG HB2 H 2.121 0.02 . 898 86 86 ARG HB3 H 1.972 0.02 . 899 86 86 ARG HD2 H 3.031 0.02 . 900 86 86 ARG HD3 H 2.997 0.02 . 901 86 86 ARG HE H 7.217 0.02 . 902 86 86 ARG HG2 H 1.529 0.02 . 903 86 86 ARG HG3 H 1.421 0.02 . 904 86 86 ARG C C 179.359 0.10 . 905 86 86 ARG CA C 60.182 0.20 . 906 86 86 ARG CB C 29.750 0.20 . 907 86 86 ARG CD C 43.094 0.20 . 908 86 86 ARG CG C 27.167 0.20 . 909 86 86 ARG N N 122.129 0.10 . 910 86 86 ARG NE N 114.208 0.10 . 911 87 87 GLU H H 8.258 0.02 . 912 87 87 GLU HA H 4.234 0.02 . 913 87 87 GLU HB2 H 2.155 0.02 . 914 87 87 GLU HB3 H 2.182 0.02 . 915 87 87 GLU HG2 H 2.583 0.02 . 916 87 87 GLU HG3 H 2.736 0.02 . 917 87 87 GLU C C 179.568 0.10 . 918 87 87 GLU CA C 58.610 0.20 . 919 87 87 GLU CB C 28.831 0.20 . 920 87 87 GLU CG C 35.916 0.20 . 921 87 87 GLU N N 117.412 0.10 . 922 88 88 ALA H H 8.098 0.02 . 923 88 88 ALA HA H 3.893 0.02 . 924 88 88 ALA HB H 1.676 0.02 . 925 88 88 ALA C C 178.317 0.10 . 926 88 88 ALA CA C 55.534 0.20 . 927 88 88 ALA CB C 17.666 0.20 . 928 88 88 ALA N N 120.738 0.10 . 929 89 89 PHE H H 8.610 0.02 . 930 89 89 PHE HA H 3.126 0.02 . 931 89 89 PHE HB2 H 3.359 0.02 . 932 89 89 PHE HB3 H 2.989 0.02 . 933 89 89 PHE HD1 H 6.311 0.02 . 934 89 89 PHE HD2 H 6.311 0.02 . 935 89 89 PHE HE1 H 6.536 0.02 . 936 89 89 PHE HE2 H 6.536 0.02 . 937 89 89 PHE C C 176.547 0.10 . 938 89 89 PHE CA C 62.506 0.20 . 939 89 89 PHE CB C 38.856 0.20 . 940 89 89 PHE N N 118.379 0.10 . 941 90 90 ARG H H 7.824 0.02 . 942 90 90 ARG HA H 3.919 0.02 . 943 90 90 ARG HB2 H 1.992 0.02 . 944 90 90 ARG HD2 H 3.230 0.02 . 945 90 90 ARG HE H 7.311 0.02 . 946 90 90 ARG HG2 H 1.828 0.02 . 947 90 90 ARG HG3 H 1.705 0.02 . 948 90 90 ARG C C 178.691 0.10 . 949 90 90 ARG CA C 58.952 0.20 . 950 90 90 ARG CB C 29.901 0.20 . 951 90 90 ARG CD C 43.547 0.20 . 952 90 90 ARG CG C 27.782 0.20 . 953 90 90 ARG N N 115.771 0.10 . 954 90 90 ARG NE N 114.722 0.10 . 955 91 91 VAL H H 7.496 0.02 . 956 91 91 VAL HA H 3.590 0.02 . 957 91 91 VAL HB H 2.234 0.02 . 958 91 91 VAL HG1 H 0.990 0.02 . 959 91 91 VAL HG2 H 0.800 0.02 . 960 91 91 VAL C C 177.252 0.10 . 961 91 91 VAL CA C 65.446 0.20 . 962 91 91 VAL CB C 31.337 0.20 . 963 91 91 VAL CG1 C 22.519 0.20 . 964 91 91 VAL N N 117.412 0.10 . 965 92 92 PHE H H 7.455 0.02 . 966 92 92 PHE HA H 4.224 0.02 . 967 92 92 PHE HB2 H 2.711 0.02 . 968 92 92 PHE HD1 H 6.996 0.02 . 969 92 92 PHE HD2 H 6.996 0.02 . 970 92 92 PHE HE1 H 7.358 0.02 . 971 92 92 PHE HE2 H 7.358 0.02 . 972 92 92 PHE HZ H 7.265 0.02 . 973 92 92 PHE C C 176.754 0.10 . 974 92 92 PHE CA C 59.499 0.20 . 975 92 92 PHE CB C 39.744 0.20 . 976 92 92 PHE N N 116.503 0.10 . 977 93 93 ASP H H 7.818 0.02 . 978 93 93 ASP HA H 4.551 0.02 . 979 93 93 ASP HB2 H 2.403 0.02 . 980 93 93 ASP HB3 H 1.440 0.02 . 981 93 93 ASP C C 177.646 0.10 . 982 93 93 ASP CA C 52.271 0.20 . 983 93 93 ASP CB C 38.104 0.20 . 984 93 93 ASP N N 116.650 0.10 . 985 94 94 LYS H H 7.777 0.02 . 986 94 94 LYS HA H 3.961 0.02 . 987 94 94 LYS HB2 H 1.878 0.02 . 988 94 94 LYS HD2 H 1.696 0.02 . 989 94 94 LYS HD3 H 1.673 0.02 . 990 94 94 LYS HE2 H 2.970 0.02 . 991 94 94 LYS HE3 H 2.970 0.02 . 992 94 94 LYS HG2 H 1.532 0.02 . 993 94 94 LYS HG3 H 1.532 0.02 . 994 94 94 LYS C C 178.419 0.10 . 995 94 94 LYS CA C 59.032 0.20 . 996 94 94 LYS CB C 32.555 0.20 . 997 94 94 LYS CD C 28.184 0.20 . 998 94 94 LYS CE C 42.143 0.20 . 999 94 94 LYS CG C 24.091 0.20 . 1000 94 94 LYS N N 126.495 0.10 . 1001 95 95 ASP H H 8.153 0.02 . 1002 95 95 ASP HA H 4.586 0.02 . 1003 95 95 ASP HB2 H 3.090 0.02 . 1004 95 95 ASP HB3 H 2.658 0.02 . 1005 95 95 ASP C C 177.848 0.10 . 1006 95 95 ASP CA C 52.868 0.20 . 1007 95 95 ASP CB C 39.569 0.20 . 1008 95 95 ASP N N 114.042 0.10 . 1009 96 96 GLY H H 7.824 0.02 . 1010 96 96 GLY HA2 H 3.907 0.02 . 1011 96 96 GLY HA3 H 3.866 0.02 . 1012 96 96 GLY C C 175.313 0.10 . 1013 96 96 GLY CA C 47.195 0.20 . 1014 96 96 GLY N N 109.354 0.10 . 1015 97 97 ASN H H 8.323 0.02 . 1016 97 97 ASN HA H 4.641 0.02 . 1017 97 97 ASN HB2 H 3.428 0.02 . 1018 97 97 ASN HB3 H 2.667 0.02 . 1019 97 97 ASN C C 176.203 0.10 . 1020 97 97 ASN CA C 52.699 0.20 . 1021 97 97 ASN CB C 38.142 0.20 . 1022 97 97 ASN N N 119.404 0.10 . 1023 98 98 GLY H H 10.696 0.02 . 1024 98 98 GLY HA2 H 4.053 0.02 . 1025 98 98 GLY HA3 H 3.404 0.02 . 1026 98 98 GLY C C 172.718 0.10 . 1027 98 98 GLY CA C 45.076 0.20 . 1028 98 98 GLY N N 112.853 0.10 . 1029 99 99 TYR H H 7.642 0.02 . 1030 99 99 TYR HA H 5.066 0.02 . 1031 99 99 TYR HB2 H 2.514 0.02 . 1032 99 99 TYR HD1 H 6.766 0.02 . 1033 99 99 TYR HD2 H 6.766 0.02 . 1034 99 99 TYR HE1 H 6.947 0.02 . 1035 99 99 TYR HE2 H 6.947 0.02 . 1036 99 99 TYR C C 174.926 0.10 . 1037 99 99 TYR CA C 56.013 0.20 . 1038 99 99 TYR CB C 42.957 0.20 . 1039 99 99 TYR N N 115.859 0.10 . 1040 100 100 ILE H H 10.089 0.02 . 1041 100 100 ILE HA H 4.804 0.02 . 1042 100 100 ILE HB H 1.811 0.02 . 1043 100 100 ILE HD1 H 0.278 0.02 . 1044 100 100 ILE HG12 H 1.150 0.02 . 1045 100 100 ILE HG13 H 0.931 0.02 . 1046 100 100 ILE HG2 H 1.150 0.02 . 1047 100 100 ILE C C 175.756 0.10 . 1048 100 100 ILE CA C 60.708 0.20 . 1049 100 100 ILE CB C 38.719 0.20 . 1050 100 100 ILE CD1 C 15.273 0.20 . 1051 100 100 ILE CG1 C 26.962 0.20 . 1052 100 100 ILE CG2 C 17.939 0.20 . 1053 100 100 ILE N N 127.110 0.10 . 1054 101 101 SER H H 9.009 0.02 . 1055 101 101 SER HA H 4.850 0.02 . 1056 101 101 SER HB2 H 4.455 0.02 . 1057 101 101 SER HB3 H 4.012 0.02 . 1058 101 101 SER C C 175.354 0.10 . 1059 101 101 SER CA C 55.808 0.20 . 1060 101 101 SER CB C 66.608 0.20 . 1061 101 101 SER N N 124.034 0.10 . 1062 102 102 ALA H H 9.262 0.02 . 1063 102 102 ALA HA H 3.938 0.02 . 1064 102 102 ALA HB H 1.483 0.02 . 1065 102 102 ALA C C 179.500 0.10 . 1066 102 102 ALA CA C 56.013 0.20 . 1067 102 102 ALA CB C 18.007 0.20 . 1068 102 102 ALA N N 123.125 0.10 . 1069 103 103 ALA H H 8.194 0.02 . 1070 103 103 ALA HA H 4.062 0.02 . 1071 103 103 ALA HB H 1.434 0.02 . 1072 103 103 ALA C C 181.599 0.10 . 1073 103 103 ALA CA C 55.261 0.20 . 1074 103 103 ALA CB C 18.349 0.20 . 1075 103 103 ALA N N 118.320 0.10 . 1076 104 104 GLU H H 7.890 0.02 . 1077 104 104 GLU HA H 4.035 0.02 . 1078 104 104 GLU HB2 H 2.556 0.02 . 1079 104 104 GLU HG2 H 2.584 0.02 . 1080 104 104 GLU HG3 H 2.321 0.02 . 1081 104 104 GLU C C 179.177 0.10 . 1082 104 104 GLU CA C 59.553 0.20 . 1083 104 104 GLU CB C 29.144 0.20 . 1084 104 104 GLU CG C 38.101 0.20 . 1085 104 104 GLU N N 119.990 0.10 . 1086 105 105 LEU H H 8.587 0.02 . 1087 105 105 LEU HA H 4.105 0.02 . 1088 105 105 LEU HB2 H 1.900 0.02 . 1089 105 105 LEU HB3 H 1.559 0.02 . 1090 105 105 LEU HD1 H 0.876 0.02 . 1091 105 105 LEU C C 178.723 0.10 . 1092 105 105 LEU CA C 58.593 0.20 . 1093 105 105 LEU CB C 41.590 0.20 . 1094 105 105 LEU CD1 C 24.008 0.20 . 1095 105 105 LEU CG C 25.973 0.20 . 1096 105 105 LEU N N 120.254 0.10 . 1097 106 106 ARG H H 8.628 0.02 . 1098 106 106 ARG HA H 3.826 0.02 . 1099 106 106 ARG HB2 H 1.973 0.02 . 1100 106 106 ARG HD2 H 3.260 0.02 . 1101 106 106 ARG HD3 H 3.172 0.02 . 1102 106 106 ARG HG2 H 1.729 0.02 . 1103 106 106 ARG HG3 H 1.646 0.02 . 1104 106 106 ARG C C 178.970 0.10 . 1105 106 106 ARG CA C 59.977 0.20 . 1106 106 106 ARG CB C 30.619 0.20 . 1107 106 106 ARG CD C 43.758 0.20 . 1108 106 106 ARG CG C 28.267 0.20 . 1109 106 106 ARG N N 117.587 0.10 . 1110 107 107 HIS H H 8.077 0.02 . 1111 107 107 HIS HA H 4.312 0.02 . 1112 107 107 HIS HB2 H 3.308 0.02 . 1113 107 107 HIS HD2 H 6.892 0.02 . 1114 107 107 HIS HE1 H 7.807 0.02 . 1115 107 107 HIS C C 178.081 0.10 . 1116 107 107 HIS CA C 59.909 0.20 . 1117 107 107 HIS CB C 30.721 0.20 . 1118 107 107 HIS N N 119.287 0.10 . 1119 108 108 VAL H H 8.194 0.02 . 1120 108 108 VAL HA H 3.461 0.02 . 1121 108 108 VAL HB H 1.912 0.02 . 1122 108 108 VAL HG1 H 0.916 0.02 . 1123 108 108 VAL HG2 H 0.110 0.02 . 1124 108 108 VAL C C 178.262 0.10 . 1125 108 108 VAL CA C 66.813 0.20 . 1126 108 108 VAL CB C 30.997 0.20 . 1127 108 108 VAL CG1 C 23.681 0.20 . 1128 108 108 VAL CG2 C 20.605 0.20 . 1129 108 108 VAL N N 118.877 0.10 . 1130 109 109 MET H H 8.288 0.02 . 1131 109 109 MET HA H 4.261 0.02 . 1132 109 109 MET HB2 H 2.316 0.02 . 1133 109 109 MET HB3 H 1.989 0.02 . 1134 109 109 MET HE H 2.005 0.02 . 1135 109 109 MET HG2 H 2.832 0.02 . 1136 109 109 MET HG3 H 2.673 0.02 . 1137 109 109 MET C C 179.225 0.10 . 1138 109 109 MET CA C 57.840 0.20 . 1139 109 109 MET CB C 30.653 0.20 . 1140 109 109 MET CE C 17.758 0.20 . 1141 109 109 MET CG C 33.866 0.20 . 1142 109 109 MET N N 115.654 0.10 . 1143 110 110 THR H H 8.071 0.02 . 1144 110 110 THR HA H 4.022 0.02 . 1145 110 110 THR HB H 4.263 0.02 . 1146 110 110 THR HG2 H 1.233 0.02 . 1147 110 110 THR C C 178.315 0.10 . 1148 110 110 THR CA C 66.676 0.20 . 1149 110 110 THR CB C 68.863 0.20 . 1150 110 110 THR CG2 C 21.562 0.20 . 1151 110 110 THR N N 115.361 0.10 . 1152 111 111 ASN H H 7.654 0.02 . 1153 111 111 ASN HA H 4.498 0.02 . 1154 111 111 ASN HB2 H 2.695 0.02 . 1155 111 111 ASN C C 175.861 0.10 . 1156 111 111 ASN CA C 56.081 0.20 . 1157 111 111 ASN CB C 38.445 0.20 . 1158 111 111 ASN N N 122.158 0.10 . 1159 112 112 LEU H H 7.807 0.02 . 1160 112 112 LEU HA H 4.382 0.02 . 1161 112 112 LEU HB2 H 1.882 0.02 . 1162 112 112 LEU HB3 H 1.756 0.02 . 1163 112 112 LEU HD1 H 0.863 0.02 . 1164 112 112 LEU HD2 H 0.786 0.02 . 1165 112 112 LEU C C 176.799 0.10 . 1166 112 112 LEU CA C 54.441 0.20 . 1167 112 112 LEU CB C 41.521 0.20 . 1168 112 112 LEU CD2 C 23.612 0.20 . 1169 112 112 LEU CG C 25.800 0.20 . 1170 112 112 LEU N N 118.408 0.10 . 1171 113 113 GLY H H 7.824 0.02 . 1172 113 113 GLY HA2 H 4.040 0.02 . 1173 113 113 GLY HA3 H 3.753 0.02 . 1174 113 113 GLY C C 174.282 0.10 . 1175 113 113 GLY CA C 45.828 0.20 . 1176 113 113 GLY N N 107.655 0.10 . 1177 114 114 GLU H H 7.848 0.02 . 1178 114 114 GLU HA H 4.377 0.02 . 1179 114 114 GLU HB2 H 1.886 0.02 . 1180 114 114 GLU HB3 H 1.647 0.02 . 1181 114 114 GLU HG2 H 2.091 0.02 . 1182 114 114 GLU C C 175.070 0.10 . 1183 114 114 GLU CA C 60.146 0.20 . 1184 114 114 GLU CB C 30.585 0.20 . 1185 114 114 GLU CG C 35.643 0.20 . 1186 114 114 GLU N N 119.228 0.10 . 1187 115 115 LYS H H 8.581 0.02 . 1188 115 115 LYS HA H 4.341 0.02 . 1189 115 115 LYS HB2 H 1.759 0.02 . 1190 115 115 LYS HB3 H 1.670 0.02 . 1191 115 115 LYS HD2 H 1.654 0.02 . 1192 115 115 LYS HE2 H 3.027 0.02 . 1193 115 115 LYS HE3 H 3.027 0.02 . 1194 115 115 LYS HG2 H 1.375 0.02 . 1195 115 115 LYS HG3 H 1.336 0.02 . 1196 115 115 LYS C C 175.600 0.10 . 1197 115 115 LYS CA C 55.534 0.20 . 1198 115 115 LYS CB C 31.815 0.20 . 1199 115 115 LYS CD C 29.081 0.20 . 1200 115 115 LYS CE C 42.205 0.20 . 1201 115 115 LYS CG C 24.569 0.20 . 1202 115 115 LYS N N 124.883 0.10 . 1203 116 116 LEU H H 8.082 0.02 . 1204 116 116 LEU HA H 4.784 0.02 . 1205 116 116 LEU HB2 H 1.585 0.02 . 1206 116 116 LEU HB3 H 1.487 0.02 . 1207 116 116 LEU HD1 H 0.782 0.02 . 1208 116 116 LEU HD2 H 0.791 0.02 . 1209 116 116 LEU C C 178.204 0.10 . 1210 116 116 LEU CA C 53.962 0.20 . 1211 116 116 LEU CB C 44.597 0.20 . 1212 116 116 LEU CD1 C 26.620 0.20 . 1213 116 116 LEU CD2 C 23.886 0.20 . 1214 116 116 LEU CG C 26.890 0.20 . 1215 116 116 LEU N N 125.440 0.10 . 1216 117 117 THR H H 9.198 0.02 . 1217 117 117 THR HA H 4.458 0.02 . 1218 117 117 THR HB H 4.747 0.02 . 1219 117 117 THR HG2 H 1.352 0.02 . 1220 117 117 THR C C 175.420 0.10 . 1221 117 117 THR CA C 60.593 0.20 . 1222 117 117 THR CB C 71.119 0.20 . 1223 117 117 THR CG2 C 21.944 0.20 . 1224 117 117 THR N N 114.863 0.10 . 1225 118 118 ASP H H 8.839 0.02 . 1226 118 118 ASP HA H 4.249 0.02 . 1227 118 118 ASP HB2 H 2.740 0.02 . 1228 118 118 ASP HB3 H 2.600 0.02 . 1229 118 118 ASP C C 178.781 0.10 . 1230 118 118 ASP CA C 57.927 0.20 . 1231 118 118 ASP CB C 39.266 0.20 . 1232 118 118 ASP N N 121.162 0.10 . 1233 119 119 GLU H H 8.622 0.02 . 1234 119 119 GLU HA H 4.099 0.02 . 1235 119 119 GLU HB2 H 2.025 0.02 . 1236 119 119 GLU HG2 H 2.353 0.02 . 1237 119 119 GLU C C 179.252 0.10 . 1238 119 119 GLU CA C 59.897 0.20 . 1239 119 119 GLU CB C 29.038 0.20 . 1240 119 119 GLU CG C 36.751 0.20 . 1241 119 119 GLU N N 119.111 0.10 . 1242 120 120 GLU H H 7.771 0.02 . 1243 120 120 GLU HA H 4.033 0.02 . 1244 120 120 GLU HB2 H 2.421 0.02 . 1245 120 120 GLU HB3 H 1.882 0.02 . 1246 120 120 GLU HG2 H 2.246 0.02 . 1247 120 120 GLU C C 180.123 0.10 . 1248 120 120 GLU CA C 59.273 0.20 . 1249 120 120 GLU CB C 30.380 0.20 . 1250 120 120 GLU CG C 38.030 0.20 . 1251 120 120 GLU N N 120.459 0.10 . 1252 121 121 VAL H H 8.094 0.02 . 1253 121 121 VAL HA H 3.533 0.02 . 1254 121 121 VAL HB H 2.245 0.02 . 1255 121 121 VAL HG1 H 1.008 0.02 . 1256 121 121 VAL HG2 H 0.983 0.02 . 1257 121 121 VAL C C 177.341 0.10 . 1258 121 121 VAL CA C 67.155 0.20 . 1259 121 121 VAL CB C 30.987 0.20 . 1260 121 121 VAL CG1 C 24.023 0.20 . 1261 121 121 VAL CG2 C 24.023 0.20 . 1262 121 121 VAL N N 120.869 0.10 . 1263 122 122 ASP H H 8.030 0.02 . 1264 122 122 ASP HA H 4.340 0.02 . 1265 122 122 ASP HB2 H 2.783 0.02 . 1266 122 122 ASP HB3 H 2.647 0.02 . 1267 122 122 ASP C C 179.205 0.10 . 1268 122 122 ASP CA C 57.585 0.20 . 1269 122 122 ASP CB C 40.565 0.20 . 1270 122 122 ASP N N 119.404 0.10 . 1271 123 123 GLU H H 8.123 0.02 . 1272 123 123 GLU HA H 3.981 0.02 . 1273 123 123 GLU HB2 H 2.095 0.02 . 1274 123 123 GLU HB3 H 2.314 0.02 . 1275 123 123 GLU HG2 H 2.330 0.02 . 1276 123 123 GLU C C 178.232 0.10 . 1277 123 123 GLU CA C 59.372 0.20 . 1278 123 123 GLU CB C 29.586 0.20 . 1279 123 123 GLU CG C 36.157 0.20 . 1280 123 123 GLU N N 119.287 0.10 . 1281 124 124 MET H H 7.795 0.02 . 1282 124 124 MET HA H 4.085 0.02 . 1283 124 124 MET HB2 H 2.234 0.02 . 1284 124 124 MET HB3 H 2.045 0.02 . 1285 124 124 MET HE H 1.917 0.02 . 1286 124 124 MET HG2 H 2.661 0.02 . 1287 124 124 MET HG3 H 2.431 0.02 . 1288 124 124 MET C C 179.116 0.10 . 1289 124 124 MET CA C 59.269 0.20 . 1290 124 124 MET CB C 32.567 0.20 . 1291 124 124 MET CE C 15.801 0.20 . 1292 124 124 MET CG C 32.772 0.20 . 1293 124 124 MET N N 119.258 0.10 . 1294 125 125 ILE H H 7.989 0.02 . 1295 125 125 ILE HA H 3.472 0.02 . 1296 125 125 ILE HB H 2.083 0.02 . 1297 125 125 ILE HD1 H 0.733 0.02 . 1298 125 125 ILE HG12 H 1.592 0.02 . 1299 125 125 ILE HG13 H 1.211 0.02 . 1300 125 125 ILE HG2 H 0.733 0.02 . 1301 125 125 ILE C C 177.401 0.10 . 1302 125 125 ILE CA C 64.284 0.20 . 1303 125 125 ILE CB C 36.121 0.20 . 1304 125 125 ILE CD1 C 11.103 0.20 . 1305 125 125 ILE CG1 C 28.566 0.20 . 1306 125 125 ILE CG2 C 16.389 0.20 . 1307 125 125 ILE N N 118.173 0.10 . 1308 126 126 ARG H H 8.376 0.02 . 1309 126 126 ARG HA H 4.048 0.02 . 1310 126 126 ARG HB2 H 1.959 0.02 . 1311 126 126 ARG HB3 H 1.789 0.02 . 1312 126 126 ARG HD2 H 3.226 0.02 . 1313 126 126 ARG HE H 7.422 0.02 . 1314 126 126 ARG HG2 H 1.722 0.02 . 1315 126 126 ARG HG3 H 1.651 0.02 . 1316 126 126 ARG C C 179.484 0.10 . 1317 126 126 ARG CA C 59.704 0.20 . 1318 126 126 ARG CB C 30.073 0.20 . 1319 126 126 ARG CD C 43.504 0.20 . 1320 126 126 ARG CG C 27.934 0.20 . 1321 126 126 ARG N N 118.349 0.10 . 1322 126 126 ARG NE N 114.496 0.10 . 1323 127 127 GLU H H 7.942 0.02 . 1324 127 127 GLU HA H 4.023 0.02 . 1325 127 127 GLU HB2 H 1.999 0.02 . 1326 127 127 GLU HB3 H 1.977 0.02 . 1327 127 127 GLU HG2 H 2.396 0.02 . 1328 127 127 GLU HG3 H 2.219 0.02 . 1329 127 127 GLU C C 177.406 0.10 . 1330 127 127 GLU CA C 58.542 0.20 . 1331 127 127 GLU CB C 29.642 0.20 . 1332 127 127 GLU CG C 36.532 0.20 . 1333 127 127 GLU N N 116.240 0.10 . 1334 128 128 ALA H H 7.349 0.02 . 1335 128 128 ALA HA H 4.452 0.02 . 1336 128 128 ALA HB H 1.415 0.02 . 1337 128 128 ALA C C 178.030 0.10 . 1338 128 128 ALA CA C 52.048 0.20 . 1339 128 128 ALA CB C 20.810 0.20 . 1340 128 128 ALA N N 118.994 0.10 . 1341 129 129 ASP H H 8.018 0.02 . 1342 129 129 ASP HA H 4.500 0.02 . 1343 129 129 ASP HB2 H 2.876 0.02 . 1344 129 129 ASP HB3 H 2.523 0.02 . 1345 129 129 ASP C C 176.182 0.10 . 1346 129 129 ASP CA C 54.252 0.20 . 1347 129 129 ASP CB C 40.223 0.20 . 1348 129 129 ASP N N 117.705 0.10 . 1349 130 130 ILE H H 8.446 0.02 . 1350 130 130 ILE HA H 3.944 0.02 . 1351 130 130 ILE HB H 2.008 0.02 . 1352 130 130 ILE HD1 H 0.891 0.02 . 1353 130 130 ILE HG12 H 1.708 0.02 . 1354 130 130 ILE HG13 H 1.336 0.02 . 1355 130 130 ILE HG2 H 0.962 0.02 . 1356 130 130 ILE C C 178.019 0.10 . 1357 130 130 ILE CA C 62.985 0.20 . 1358 130 130 ILE CB C 38.719 0.20 . 1359 130 130 ILE CD1 C 12.471 0.20 . 1360 130 130 ILE CG1 C 28.019 0.20 . 1361 130 130 ILE CG2 C 17.324 0.20 . 1362 130 130 ILE N N 127.931 0.10 . 1363 131 131 ASP H H 8.288 0.02 . 1364 131 131 ASP HA H 4.553 0.02 . 1365 131 131 ASP HB2 H 3.092 0.02 . 1366 131 131 ASP HB3 H 2.654 0.02 . 1367 131 131 ASP C C 178.474 0.10 . 1368 131 131 ASP CA C 53.757 0.20 . 1369 131 131 ASP CB C 39.744 0.20 . 1370 131 131 ASP N N 116.767 0.10 . 1371 132 132 GLY H H 7.578 0.02 . 1372 132 132 GLY HA2 H 3.946 0.02 . 1373 132 132 GLY HA3 H 3.805 0.02 . 1374 132 132 GLY C C 175.462 0.10 . 1375 132 132 GLY CA C 47.466 0.20 . 1376 132 132 GLY N N 108.475 0.10 . 1377 133 133 ASP H H 8.335 0.02 . 1378 133 133 ASP HA H 4.488 0.02 . 1379 133 133 ASP HB2 H 2.964 0.02 . 1380 133 133 ASP HB3 H 2.516 0.02 . 1381 133 133 ASP C C 177.827 0.10 . 1382 133 133 ASP CA C 53.415 0.20 . 1383 133 133 ASP CB C 40.113 0.20 . 1384 133 133 ASP N N 120.811 0.10 . 1385 134 134 GLY H H 10.335 0.02 . 1386 134 134 GLY HA2 H 4.046 0.02 . 1387 134 134 GLY HA3 H 3.430 0.02 . 1388 134 134 GLY C C 173.043 0.10 . 1389 134 134 GLY CA C 45.828 0.20 . 1390 134 134 GLY N N 112.870 0.10 . 1391 135 135 GLN H H 8.006 0.02 . 1392 135 135 GLN HA H 4.859 0.02 . 1393 135 135 GLN HB2 H 2.010 0.02 . 1394 135 135 GLN HB3 H 1.725 0.02 . 1395 135 135 GLN HG2 H 1.964 0.02 . 1396 135 135 GLN HG3 H 1.961 0.02 . 1397 135 135 GLN C C 174.993 0.10 . 1398 135 135 GLN CA C 53.142 0.20 . 1399 135 135 GLN CB C 32.499 0.20 . 1400 135 135 GLN CG C 33.045 0.20 . 1401 135 135 GLN N N 115.390 0.10 . 1402 136 136 VAL H H 9.080 0.02 . 1403 136 136 VAL HA H 5.177 0.02 . 1404 136 136 VAL HB H 2.294 0.02 . 1405 136 136 VAL HG1 H 1.277 0.02 . 1406 136 136 VAL HG2 H 0.905 0.02 . 1407 136 136 VAL C C 176.032 0.10 . 1408 136 136 VAL CA C 61.755 0.20 . 1409 136 136 VAL CB C 33.797 0.20 . 1410 136 136 VAL CG1 C 22.040 0.20 . 1411 136 136 VAL CG2 C 22.314 0.20 . 1412 136 136 VAL N N 125.294 0.10 . 1413 137 137 ASN H H 9.625 0.02 . 1414 137 137 ASN HA H 5.293 0.02 . 1415 137 137 ASN HB2 H 3.288 0.02 . 1416 137 137 ASN HB3 H 3.242 0.02 . 1417 137 137 ASN HD21 H 7.537 0.02 . 1418 137 137 ASN HD22 H 6.759 0.02 . 1419 137 137 ASN C C 175.064 0.10 . 1420 137 137 ASN CA C 51.160 0.20 . 1421 137 137 ASN CB C 38.111 0.20 . 1422 137 137 ASN CG C 178.284 0.20 . 1423 137 137 ASN N N 129.103 0.10 . 1424 137 137 ASN ND2 N 111.150 0.10 . 1425 138 138 TYR H H 8.446 0.02 . 1426 138 138 TYR HA H 3.398 0.02 . 1427 138 138 TYR HB2 H 2.405 0.02 . 1428 138 138 TYR HB3 H 2.030 0.02 . 1429 138 138 TYR HD1 H 6.341 0.02 . 1430 138 138 TYR HD2 H 6.341 0.02 . 1431 138 138 TYR HE1 H 6.522 0.02 . 1432 138 138 TYR HE2 H 6.522 0.02 . 1433 138 138 TYR C C 176.324 0.10 . 1434 138 138 TYR CA C 62.643 0.20 . 1435 138 138 TYR CB C 37.899 0.20 . 1436 138 138 TYR N N 118.584 0.10 . 1437 139 139 GLU H H 8.100 0.02 . 1438 139 139 GLU HA H 3.631 0.02 . 1439 139 139 GLU HB2 H 2.098 0.02 . 1440 139 139 GLU HB3 H 1.981 0.02 . 1441 139 139 GLU HG2 H 2.372 0.02 . 1442 139 139 GLU HG3 H 2.301 0.02 . 1443 139 139 GLU C C 180.620 0.10 . 1444 139 139 GLU CA C 60.319 0.20 . 1445 139 139 GLU CB C 28.795 0.20 . 1446 139 139 GLU CG C 37.078 0.20 . 1447 139 139 GLU N N 118.701 0.10 . 1448 140 140 GLU H H 8.792 0.02 . 1449 140 140 GLU HA H 4.040 0.02 . 1450 140 140 GLU HB2 H 2.592 0.02 . 1451 140 140 GLU HB3 H 2.267 0.02 . 1452 140 140 GLU HG2 H 2.907 0.02 . 1453 140 140 GLU HG3 H 2.472 0.02 . 1454 140 140 GLU C C 179.629 0.10 . 1455 140 140 GLU CA C 58.559 0.20 . 1456 140 140 GLU CB C 29.341 0.20 . 1457 140 140 GLU CG C 37.215 0.20 . 1458 140 140 GLU N N 119.873 0.10 . 1459 141 141 PHE H H 8.863 0.02 . 1460 141 141 PHE HA H 4.042 0.02 . 1461 141 141 PHE HB2 H 3.369 0.02 . 1462 141 141 PHE HB3 H 3.240 0.02 . 1463 141 141 PHE HD1 H 6.619 0.02 . 1464 141 141 PHE HD2 H 6.619 0.02 . 1465 141 141 PHE HE1 H 7.015 0.02 . 1466 141 141 PHE HE2 H 7.015 0.02 . 1467 141 141 PHE HZ H 7.079 0.02 . 1468 141 141 PHE C C 177.140 0.10 . 1469 141 141 PHE CA C 61.481 0.20 . 1470 141 141 PHE CB C 40.018 0.20 . 1471 141 141 PHE N N 124.854 0.10 . 1472 142 142 VAL H H 8.669 0.02 . 1473 142 142 VAL HA H 3.186 0.02 . 1474 142 142 VAL HB H 1.869 0.02 . 1475 142 142 VAL HG1 H 0.498 0.02 . 1476 142 142 VAL HG2 H 0.757 0.02 . 1477 142 142 VAL C C 179.940 0.10 . 1478 142 142 VAL CA C 67.223 0.20 . 1479 142 142 VAL CB C 31.610 0.20 . 1480 142 142 VAL CG1 C 22.997 0.20 . 1481 142 142 VAL CG2 C 21.288 0.20 . 1482 142 142 VAL N N 119.521 0.10 . 1483 143 143 GLN H H 7.724 0.02 . 1484 143 143 GLN HA H 3.901 0.02 . 1485 143 143 GLN HB2 H 2.165 0.02 . 1486 143 143 GLN HB3 H 2.436 0.02 . 1487 143 143 GLN HG2 H 2.419 0.02 . 1488 143 143 GLN C C 178.350 0.10 . 1489 143 143 GLN CA C 59.230 0.20 . 1490 143 143 GLN CB C 27.813 0.20 . 1491 143 143 GLN CG C 34.002 0.20 . 1492 143 143 GLN N N 119.580 0.10 . 1493 144 144 MET H H 7.924 0.02 . 1494 144 144 MET HA H 4.101 0.02 . 1495 144 144 MET HB2 H 2.135 0.02 . 1496 144 144 MET HB3 H 2.005 0.02 . 1497 144 144 MET HE H 1.753 0.02 . 1498 144 144 MET HG2 H 2.530 0.02 . 1499 144 144 MET HG3 H 2.314 0.02 . 1500 144 144 MET C C 178.280 0.10 . 1501 144 144 MET CA C 58.403 0.20 . 1502 144 144 MET CB C 32.471 0.20 . 1503 144 144 MET CE C 16.797 0.20 . 1504 144 144 MET CG C 31.883 0.20 . 1505 144 144 MET N N 119.463 0.10 . 1506 145 145 MET H H 7.760 0.02 . 1507 145 145 MET HA H 4.462 0.02 . 1508 145 145 MET HB2 H 1.887 0.02 . 1509 145 145 MET HE H 1.576 0.02 . 1510 145 145 MET HG2 H 1.811 0.02 . 1511 145 145 MET C C 177.637 0.10 . 1512 145 145 MET CA C 54.577 0.20 . 1513 145 145 MET CB C 31.095 0.20 . 1514 145 145 MET CE C 17.734 0.20 . 1515 145 145 MET CG C 31.938 0.20 . 1516 145 145 MET N N 115.038 0.10 . 1517 146 146 THR H H 7.707 0.02 . 1518 146 146 THR HA H 4.365 0.02 . 1519 146 146 THR HB H 4.257 0.02 . 1520 146 146 THR HG2 H 1.149 0.02 . 1521 146 146 THR C C 174.422 0.10 . 1522 146 146 THR CA C 62.218 0.20 . 1523 146 146 THR CB C 70.572 0.20 . 1524 146 146 THR CG2 C 21.220 0.20 . 1525 146 146 THR N N 111.053 0.10 . 1526 147 147 ALA H H 7.689 0.02 . 1527 147 147 ALA HA H 4.281 0.02 . 1528 147 147 ALA HB H 1.420 0.02 . 1529 147 147 ALA C C 176.961 0.10 . 1530 147 147 ALA CA C 53.005 0.20 . 1531 147 147 ALA CB C 19.169 0.20 . 1532 147 147 ALA N N 127.052 0.10 . 1533 148 148 LYS H H 7.959 0.02 . 1534 148 148 LYS HA H 3.965 0.02 . 1535 148 148 LYS HB2 H 1.885 0.02 . 1536 148 148 LYS HD2 H 1.690 0.02 . 1537 148 148 LYS HE2 H 3.036 0.02 . 1538 148 148 LYS HE3 H 3.036 0.02 . 1539 148 148 LYS HG2 H 1.522 0.02 . 1540 148 148 LYS HG3 H 1.522 0.02 . 1541 148 148 LYS C C 181.728 0.10 . 1542 148 148 LYS CA C 57.843 0.20 . 1543 148 148 LYS CB C 32.225 0.20 . 1544 148 148 LYS CG C 24.569 0.20 . 1545 148 148 LYS N N 126.436 0.10 . stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D CBCANH' '3D C(CO)NH' '3D HBHA(CO)NH' '3D HNCO' '3D HCCH TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '2D DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '3D H(CCO)NH' stop_ loop_ _Sample_label $CaMCaNp stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 H H 7.500 0.02 . 2 1 1 ALA HA H 4.137 0.02 . 3 1 1 ALA HB H 1.592 0.02 . 4 1 1 ALA CA C 51.696 0.20 . 5 1 1 ALA CB C 19.313 0.20 . 6 1 1 ALA N N 129.245 0.10 . 7 2 2 ARG HA H 4.186 0.02 . 8 2 2 ARG HB2 H 2.021 0.02 . 9 2 2 ARG HB3 H 1.924 0.02 . 10 2 2 ARG HD2 H 3.212 0.02 . 11 2 2 ARG HD3 H 3.223 0.02 . 12 2 2 ARG HG2 H 1.753 0.02 . 13 2 2 ARG HG3 H 1.680 0.02 . 14 2 2 ARG CA C 58.108 0.20 . 15 2 2 ARG CB C 29.834 0.20 . 16 2 2 ARG CD C 43.418 0.20 . 17 2 2 ARG CG C 26.553 0.20 . 18 3 3 LYS H H 8.495 0.02 . 19 3 3 LYS HA H 3.841 0.02 . 20 3 3 LYS HB2 H 1.906 0.02 . 21 3 3 LYS HB3 H 1.746 0.02 . 22 3 3 LYS HD2 H 1.688 0.02 . 23 3 3 LYS HD3 H 1.688 0.02 . 24 3 3 LYS HE2 H 2.917 0.02 . 25 3 3 LYS HE3 H 3.004 0.02 . 26 3 3 LYS HG2 H 1.418 0.02 . 27 3 3 LYS HG3 H 1.296 0.02 . 28 3 3 LYS C C 177.550 0.10 . 29 3 3 LYS CA C 60.343 0.20 . 30 3 3 LYS CB C 32.312 0.20 . 31 3 3 LYS CD C 29.495 0.20 . 32 3 3 LYS CE C 41.795 0.20 . 33 3 3 LYS CG C 24.915 0.20 . 34 3 3 LYS N N 119.183 0.10 . 35 4 4 GLU HA H 4.218 0.02 . 36 4 4 GLU HB2 H 1.924 0.02 . 37 4 4 GLU HB3 H 1.994 0.02 . 38 4 4 GLU HG2 H 2.338 0.02 . 39 4 4 GLU HG3 H 2.338 0.02 . 40 4 4 GLU CA C 58.108 0.20 . 41 4 4 GLU CB C 28.401 0.20 . 42 4 4 GLU CG C 36.161 0.20 . 43 5 5 VAL H H 7.512 0.02 . 44 5 5 VAL HA H 3.554 0.02 . 45 5 5 VAL HB H 2.336 0.02 . 46 5 5 VAL HG1 H 1.151 0.02 . 47 5 5 VAL HG2 H 0.966 0.02 . 48 5 5 VAL C C 178.364 0.10 . 49 5 5 VAL CA C 67.226 0.20 . 50 5 5 VAL CB C 31.608 0.20 . 51 5 5 VAL CG1 C 22.958 0.20 . 52 5 5 VAL CG2 C 21.178 0.20 . 53 5 5 VAL N N 120.226 0.10 . 54 6 6 ILE H H 8.133 0.02 . 55 6 6 ILE HA H 3.466 0.02 . 56 6 6 ILE HB H 1.918 0.02 . 57 6 6 ILE HD1 H 0.792 0.02 . 58 6 6 ILE HG12 H 1.788 0.02 . 59 6 6 ILE HG13 H 1.788 0.02 . 60 6 6 ILE HG2 H 0.857 0.02 . 61 6 6 ILE C C 177.975 0.10 . 62 6 6 ILE CA C 66.254 0.20 . 63 6 6 ILE CB C 37.412 0.20 . 64 6 6 ILE CD1 C 13.313 0.20 . 65 6 6 ILE CG1 C 29.949 0.20 . 66 6 6 ILE CG2 C 17.893 0.20 . 67 6 6 ILE N N 118.972 0.10 . 68 7 7 ARG H H 8.297 0.02 . 69 7 7 ARG HA H 3.803 0.02 . 70 7 7 ARG HB2 H 1.978 0.02 . 71 7 7 ARG HB3 H 1.798 0.02 . 72 7 7 ARG HD2 H 3.215 0.02 . 73 7 7 ARG HD3 H 3.215 0.02 . 74 7 7 ARG HE H 7.245 0.02 . 75 7 7 ARG HG2 H 1.529 0.02 . 76 7 7 ARG HG3 H 1.500 0.02 . 77 7 7 ARG C C 178.227 0.10 . 78 7 7 ARG CA C 61.437 0.20 . 79 7 7 ARG CB C 29.825 0.20 . 80 7 7 ARG CD C 44.428 0.20 . 81 7 7 ARG CG C 28.251 0.20 . 82 7 7 ARG N N 118.206 0.10 . 83 7 7 ARG NE N 113.382 0.10 . 84 8 8 ASN H H 8.406 0.02 . 85 8 8 ASN HA H 4.500 0.02 . 86 8 8 ASN HB2 H 3.090 0.02 . 87 8 8 ASN HB3 H 2.497 0.02 . 88 8 8 ASN C C 178.106 0.10 . 89 8 8 ASN CA C 56.229 0.20 . 90 8 8 ASN CB C 38.265 0.20 . 91 8 8 ASN N N 117.119 0.10 . 92 9 9 LYS H H 8.478 0.02 . 93 9 9 LYS HA H 4.087 0.02 . 94 9 9 LYS HB2 H 2.306 0.02 . 95 9 9 LYS HB3 H 1.817 0.02 . 96 9 9 LYS HD2 H 1.619 0.02 . 97 9 9 LYS HD3 H 1.619 0.02 . 98 9 9 LYS HE2 H 2.863 0.02 . 99 9 9 LYS HE3 H 2.689 0.02 . 100 9 9 LYS HG2 H 1.373 0.02 . 101 9 9 LYS HG3 H 1.373 0.02 . 102 9 9 LYS HZ H 6.843 0.02 . 103 9 9 LYS C C 177.829 0.10 . 104 9 9 LYS CA C 61.307 0.20 . 105 9 9 LYS CB C 31.970 0.20 . 106 9 9 LYS CE C 42.532 0.20 . 107 9 9 LYS CG C 27.076 0.20 . 108 9 9 LYS N N 121.244 0.10 . 109 9 9 LYS NZ N 121.002 0.10 . 110 10 10 ILE H H 8.324 0.02 . 111 10 10 ILE HA H 3.685 0.02 . 112 10 10 ILE HB H 2.024 0.02 . 113 10 10 ILE HD1 H 0.853 0.02 . 114 10 10 ILE HG12 H 1.065 0.02 . 115 10 10 ILE HG13 H 1.177 0.02 . 116 10 10 ILE HG2 H 1.177 0.02 . 117 10 10 ILE C C 178.055 0.10 . 118 10 10 ILE CA C 66.436 0.20 . 119 10 10 ILE CB C 37.628 0.20 . 120 10 10 ILE CD1 C 14.573 0.20 . 121 10 10 ILE CG1 C 29.799 0.20 . 122 10 10 ILE CG2 C 18.120 0.20 . 123 10 10 ILE N N 118.318 0.10 . 124 11 11 ARG H H 8.742 0.02 . 125 11 11 ARG HA H 3.953 0.02 . 126 11 11 ARG HB2 H 1.926 0.02 . 127 11 11 ARG HD2 H 3.288 0.02 . 128 11 11 ARG HD3 H 3.288 0.02 . 129 11 11 ARG HE H 7.632 0.02 . 130 11 11 ARG HG2 H 1.861 0.02 . 131 11 11 ARG HG3 H 1.632 0.02 . 132 11 11 ARG C C 178.513 0.10 . 133 11 11 ARG CA C 60.079 0.20 . 134 11 11 ARG CB C 30.000 0.20 . 135 11 11 ARG CD C 43.112 0.20 . 136 11 11 ARG CG C 28.468 0.20 . 137 11 11 ARG N N 119.320 0.10 . 138 11 11 ARG NE N 114.298 0.10 . 139 12 12 ALA H H 8.290 0.02 . 140 12 12 ALA HA H 4.089 0.02 . 141 12 12 ALA HB H 1.833 0.02 . 142 12 12 ALA C C 179.335 0.10 . 143 12 12 ALA CA C 55.848 0.20 . 144 12 12 ALA CB C 18.314 0.20 . 145 12 12 ALA N N 121.132 0.10 . 146 13 13 ILE H H 8.187 0.02 . 147 13 13 ILE HA H 3.931 0.02 . 148 13 13 ILE HB H 2.329 0.02 . 149 13 13 ILE HD1 H 0.858 0.02 . 150 13 13 ILE HG12 H 1.788 0.02 . 151 13 13 ILE HG13 H 1.597 0.02 . 152 13 13 ILE HG2 H 0.953 0.02 . 153 13 13 ILE C C 178.087 0.10 . 154 13 13 ILE CA C 64.038 0.20 . 155 13 13 ILE CB C 36.937 0.20 . 156 13 13 ILE CD1 C 12.841 0.20 . 157 13 13 ILE CG1 C 28.474 0.20 . 158 13 13 ILE CG2 C 18.202 0.20 . 159 13 13 ILE N N 116.507 0.10 . 160 14 14 GLY H H 8.735 0.02 . 161 14 14 GLY HA2 H 4.061 0.02 . 162 14 14 GLY HA3 H 3.711 0.02 . 163 14 14 GLY C C 175.096 0.10 . 164 14 14 GLY CA C 48.302 0.20 . 165 14 14 GLY N N 108.208 0.10 . 166 15 15 LYS H H 8.324 0.02 . 167 15 15 LYS HA H 3.960 0.02 . 168 15 15 LYS HB2 H 2.005 0.02 . 169 15 15 LYS HB3 H 1.788 0.02 . 170 15 15 LYS HD2 H 1.632 0.02 . 171 15 15 LYS HD3 H 1.632 0.02 . 172 15 15 LYS HE2 H 3.138 0.02 . 173 15 15 LYS HE3 H 2.853 0.02 . 174 15 15 LYS HG2 H 1.534 0.02 . 175 15 15 LYS HG3 H 1.534 0.02 . 176 15 15 LYS HZ H 8.835 0.02 . 177 15 15 LYS C C 179.143 0.10 . 178 15 15 LYS CA C 60.079 0.20 . 179 15 15 LYS CB C 32.324 0.20 . 180 15 15 LYS CD C 29.700 0.20 . 181 15 15 LYS CE C 41.616 0.20 . 182 15 15 LYS CG C 25.440 0.20 . 183 15 15 LYS N N 120.296 0.10 . 184 15 15 LYS NZ N 120.000 0.10 . 185 16 16 MET H H 8.092 0.02 . 186 16 16 MET HA H 4.160 0.02 . 187 16 16 MET HB2 H 2.613 0.02 . 188 16 16 MET HB3 H 2.604 0.02 . 189 16 16 MET HE H 1.732 0.02 . 190 16 16 MET HG2 H 2.225 0.02 . 191 16 16 MET HG3 H 2.030 0.02 . 192 16 16 MET C C 177.467 0.10 . 193 16 16 MET CA C 58.108 0.20 . 194 16 16 MET CB C 32.801 0.20 . 195 16 16 MET CE C 17.311 0.20 . 196 16 16 MET N N 116.895 0.10 . 197 17 17 ALA H H 8.964 0.02 . 198 17 17 ALA HA H 4.092 0.02 . 199 17 17 ALA HB H 1.502 0.02 . 200 17 17 ALA C C 179.839 0.10 . 201 17 17 ALA CA C 54.958 0.20 . 202 17 17 ALA CB C 18.371 0.20 . 203 17 17 ALA N N 120.657 0.10 . 204 18 18 ARG H H 8.200 0.02 . 205 18 18 ARG HA H 4.077 0.02 . 206 18 18 ARG HB2 H 2.173 0.02 . 207 18 18 ARG HB3 H 1.897 0.02 . 208 18 18 ARG HD2 H 3.210 0.02 . 209 18 18 ARG HD3 H 3.210 0.02 . 210 18 18 ARG HE H 7.737 0.02 . 211 18 18 ARG HG2 H 1.733 0.02 . 212 18 18 ARG HG3 H 1.733 0.02 . 213 18 18 ARG C C 178.230 0.10 . 214 18 18 ARG CA C 59.190 0.20 . 215 18 18 ARG CB C 29.288 0.20 . 216 18 18 ARG CD C 43.658 0.20 . 217 18 18 ARG CG C 27.435 0.20 . 218 18 18 ARG N N 118.402 0.10 . 219 18 18 ARG NE N 114.607 0.10 . 220 19 19 VAL H H 7.754 0.02 . 221 19 19 VAL HA H 3.699 0.02 . 222 19 19 VAL HB H 2.156 0.02 . 223 19 19 VAL HG1 H 1.048 0.02 . 224 19 19 VAL HG2 H 0.852 0.02 . 225 19 19 VAL C C 177.385 0.10 . 226 19 19 VAL CA C 66.211 0.20 . 227 19 19 VAL CB C 31.366 0.20 . 228 19 19 VAL CG1 C 22.589 0.20 . 229 19 19 VAL CG2 C 21.839 0.20 . 230 19 19 VAL N N 118.994 0.10 . 231 20 20 PHE H H 7.984 0.02 . 232 20 20 PHE HA H 4.481 0.02 . 233 20 20 PHE HB2 H 3.264 0.02 . 234 20 20 PHE HB3 H 3.214 0.02 . 235 20 20 PHE HE1 H 7.304 0.02 . 236 20 20 PHE HE2 H 7.304 0.02 . 237 20 20 PHE C C 176.975 0.10 . 238 20 20 PHE CA C 59.470 0.20 . 239 20 20 PHE CB C 38.745 0.20 . 240 20 20 PHE N N 117.529 0.10 . 241 21 21 SER H H 8.034 0.02 . 242 21 21 SER HA H 4.144 0.02 . 243 21 21 SER HB2 H 3.984 0.02 . 244 21 21 SER HB3 H 3.984 0.02 . 245 21 21 SER C C 175.972 0.10 . 246 21 21 SER CA C 60.580 0.20 . 247 21 21 SER CB C 63.400 0.20 . 248 21 21 SER N N 113.698 0.10 . 249 22 22 VAL H H 7.647 0.02 . 250 22 22 VAL HA H 4.176 0.02 . 251 22 22 VAL HB H 2.281 0.02 . 252 22 22 VAL HG1 H 0.998 0.02 . 253 22 22 VAL HG2 H 0.950 0.02 . 254 22 22 VAL C C 176.759 0.10 . 255 22 22 VAL CA C 63.039 0.20 . 256 22 22 VAL CB C 31.692 0.20 . 257 22 22 VAL CG1 C 20.699 0.20 . 258 22 22 VAL CG2 C 21.085 0.20 . 259 22 22 VAL N N 118.114 0.10 . 260 23 23 LEU H H 7.710 0.02 . 261 23 23 LEU HA H 4.282 0.02 . 262 23 23 LEU HB2 H 1.794 0.02 . 263 23 23 LEU HB3 H 1.625 0.02 . 264 23 23 LEU HD1 H 0.859 0.02 . 265 23 23 LEU HD2 H 0.926 0.02 . 266 23 23 LEU HG H 1.794 0.02 . 267 23 23 LEU C C 176.724 0.10 . 268 23 23 LEU CA C 55.734 0.20 . 269 23 23 LEU CB C 42.310 0.20 . 270 23 23 LEU CD1 C 22.999 0.20 . 271 23 23 LEU CD2 C 26.267 0.20 . 272 23 23 LEU CG C 26.322 0.20 . 273 23 23 LEU N N 121.936 0.10 . 274 24 24 ARG H H 7.426 0.02 . 275 24 24 ARG HA H 4.148 0.02 . 276 24 24 ARG HB2 H 1.736 0.02 . 277 24 24 ARG HB3 H 1.615 0.02 . 278 24 24 ARG HD2 H 3.076 0.02 . 279 24 24 ARG HD3 H 2.996 0.02 . 280 24 24 ARG HG2 H 1.474 0.02 . 281 24 24 ARG HG3 H 1.476 0.02 . 282 24 24 ARG C C 180.860 0.10 . 283 24 24 ARG CA C 57.336 0.20 . 284 24 24 ARG CB C 31.545 0.20 . 285 24 24 ARG CD C 43.534 0.20 . 286 24 24 ARG CG C 26.760 0.20 . 287 24 24 ARG N N 125.013 0.10 . stop_ save_